NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
524045 | 2ldi | 17668 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H2 PRO 6 2H PRO 6 -9.664 -4.415 -15.659 2 HA PRO 6 HA PRO 6 -7.503 -6.283 -16.262 3 HB3 PRO 6 2HB PRO 6 -6.471 -4.814 -17.666 4 HG3 PRO 6 2HG PRO 6 -8.231 -4.399 -19.150 5 HD3 PRO 6 2HD PRO 6 -9.413 -6.101 -18.056 6 H LEU 7 H LEU 7 -5.662 -5.973 -14.891 7 HA LEU 7 HA LEU 7 -5.673 -4.013 -12.768 8 HB3 LEU 7 2HB LEU 7 -7.271 -5.503 -11.771 9 HG LEU 7 HG LEU 7 -5.214 -7.755 -11.913 10 HD11 LEU 7 1HD1 LEU 7 -7.902 -7.554 -10.483 11 HD12 LEU 7 2HD1 LEU 7 -6.308 -7.462 -9.705 12 HD13 LEU 7 3HD1 LEU 7 -6.819 -8.962 -10.504 13 HD21 LEU 7 3HD2 LEU 7 -6.503 -7.899 -13.956 14 HD22 LEU 7 1HD2 LEU 7 -8.016 -7.502 -13.103 15 HD23 LEU 7 2HD2 LEU 7 -7.215 -9.061 -12.848 16 H LYS 8 H LYS 8 -3.737 -3.612 -11.953 17 HA LYS 8 HA LYS 8 -1.436 -5.223 -12.931 18 HB3 LYS 8 2HB LYS 8 -2.057 -3.607 -14.681 19 HG3 LYS 8 2HG LYS 8 -1.214 -1.433 -12.722 20 HD3 LYS 8 2HD LYS 8 -2.302 -1.242 -15.567 21 HE3 LYS 8 2HE LYS 8 -1.062 0.829 -13.699 22 HZ1 LYS 8 3HZ LYS 8 -0.656 1.203 -16.110 23 HZ2 LYS 8 1HZ LYS 8 -1.606 2.382 -15.456 24 HZ3 LYS 8 2HZ LYS 8 -2.274 1.227 -16.370 25 H THR 9 H THR 9 0.546 -4.848 -11.995 26 HA THR 9 HA THR 9 0.575 -4.292 -9.188 27 HB THR 9 HB THR 9 2.013 -5.920 -10.389 28 HG1 THR 9 1HG THR 9 3.072 -5.778 -8.665 29 HG21 THR 9 3HG2 THR 9 2.741 -4.571 -12.309 30 HG22 THR 9 1HG2 THR 9 4.136 -5.145 -11.370 31 HG23 THR 9 2HG2 THR 9 3.606 -3.458 -11.243 32 H GLN 10 H GLN 10 1.824 -2.774 -8.044 33 HA GLN 10 HA GLN 10 2.883 -0.352 -9.232 34 HB3 GLN 10 2HB GLN 10 0.552 -0.183 -7.271 35 HG3 GLN 10 2HG GLN 10 2.102 1.829 -7.374 36 HE21 GLN 10 1HE2 GLN 10 0.203 3.730 -9.266 37 HE22 GLN 10 2HE2 GLN 10 1.269 3.831 -10.655 38 H GLN 11 H GLN 11 4.348 0.621 -7.662 39 HA GLN 11 HA GLN 11 4.424 -0.601 -4.980 40 HB3 GLN 11 2HB GLN 11 5.930 -1.926 -6.521 41 HG3 GLN 11 2HG GLN 11 7.662 0.567 -6.411 42 HE21 GLN 11 1HE2 GLN 11 9.715 0.374 -7.346 43 HE22 GLN 11 2HE2 GLN 11 10.316 -1.157 -7.992 44 H MET 12 H MET 12 5.553 0.595 -3.427 45 HA MET 12 HA MET 12 6.075 3.450 -4.038 46 HB3 MET 12 2HB MET 12 3.733 3.516 -3.788 47 HG3 MET 12 2HG MET 12 2.671 2.678 -1.575 48 HE1 MET 12 3HE MET 12 0.932 1.203 -4.793 49 HE2 MET 12 1HE MET 12 1.028 2.583 -3.677 50 HE3 MET 12 2HE MET 12 2.264 2.359 -4.942 51 H GLN 13 H GLN 13 6.933 4.652 -2.401 52 HA GLN 13 HA GLN 13 8.230 3.155 -0.187 53 HB3 GLN 13 2HB GLN 13 9.135 5.559 0.312 54 HG3 GLN 13 2HG GLN 13 10.121 4.344 -2.290 55 HE21 GLN 13 1HE2 GLN 13 10.634 7.088 -1.863 56 HE22 GLN 13 2HE2 GLN 13 12.248 7.265 -1.176 57 H VAL 14 H VAL 14 7.918 3.950 1.982 58 HA VAL 14 HA VAL 14 5.423 5.374 2.532 59 HB VAL 14 HB VAL 14 4.437 3.244 2.365 60 HG11 VAL 14 1HG1 VAL 14 6.351 1.752 2.408 61 HG12 VAL 14 2HG1 VAL 14 6.589 2.065 4.141 62 HG13 VAL 14 3HG1 VAL 14 5.129 1.235 3.569 63 HG21 VAL 14 3HG2 VAL 14 4.894 3.689 5.331 64 HG22 VAL 14 1HG2 VAL 14 3.759 4.599 4.318 65 HG23 VAL 14 2HG2 VAL 14 3.528 2.860 4.561 66 H GLY 15 H GLY 15 5.698 6.668 4.178 67 HA2 GLY 15 2HA GLY 15 8.240 6.746 5.586 68 HA3 GLY 15 3HA GLY 15 6.866 7.859 5.795 69 H GLY 16 H GLY 16 8.601 5.273 7.105 70 HA2 GLY 16 2HA GLY 16 8.633 4.820 9.397 71 HA3 GLY 16 3HA GLY 16 6.970 5.418 9.563 72 H MET 17 H MET 17 6.947 3.080 7.054 73 HA MET 17 HA MET 17 5.709 1.120 8.819 74 HB3 MET 17 2HB MET 17 6.609 0.646 5.962 75 HG3 MET 17 2HG MET 17 4.157 -0.264 7.519 76 HE1 MET 17 3HE MET 17 6.251 -2.479 5.188 77 HE2 MET 17 1HE MET 17 5.485 -2.301 3.599 78 HE3 MET 17 2HE MET 17 6.454 -0.976 4.260 79 H ARG 18 H ARG 18 9.011 1.537 7.716 80 HA ARG 18 HA ARG 18 9.933 -1.097 7.733 81 HB3 ARG 18 2HB ARG 18 11.207 0.754 6.812 82 HG3 ARG 18 2HG ARG 18 11.859 1.614 9.659 83 HD3 ARG 18 2HD ARG 18 12.703 2.497 6.879 84 HE ARG 18 HE ARG 18 12.551 4.139 9.280 85 HH11 ARG 18 1HH1 ARG 18 14.418 3.679 6.267 86 HH12 ARG 18 2HH1 ARG 18 14.724 5.411 6.165 87 HH21 ARG 18 1HH2 ARG 18 12.916 6.348 8.888 88 HH22 ARG 18 2HH2 ARG 18 13.997 6.793 7.571 89 H CYS 19 H CYS 19 11.350 -2.222 9.047 90 HA CYS 19 HA CYS 19 12.455 -3.022 10.837 91 HB3 CYS 19 2HB CYS 19 13.246 -1.355 12.520 92 HG CYS 19 HG CYS 19 14.635 -1.775 10.438 93 H ALA 20 H ALA 20 9.284 -2.775 11.094 94 HA ALA 20 HA ALA 20 9.117 -4.175 13.665 95 HB1 ALA 20 1HB ALA 20 7.410 -2.561 14.532 96 HB2 ALA 20 2HB ALA 20 8.984 -1.777 14.317 97 HB3 ALA 20 3HB ALA 20 7.697 -1.515 13.127 98 H ALA 21 H ALA 21 6.871 -5.013 14.016 99 HA ALA 21 HA ALA 21 5.849 -6.240 11.652 100 HB1 ALA 21 1HB ALA 21 5.850 -7.255 13.916 101 HB2 ALA 21 2HB ALA 21 4.635 -6.069 14.445 102 HB3 ALA 21 3HB ALA 21 4.234 -7.258 13.193 103 H CYS 22 H CYS 22 5.317 -3.074 12.509 104 HA CYS 22 HA CYS 22 2.641 -2.467 12.322 105 HB3 CYS 22 2HB CYS 22 3.473 -0.237 11.554 106 HG CYS 22 HG CYS 22 3.515 -0.754 14.105 107 H ALA 23 H ALA 23 4.701 -3.290 9.557 108 HA ALA 23 HA ALA 23 3.092 -2.648 7.347 109 HB1 ALA 23 1HB ALA 23 4.741 -5.155 7.901 110 HB2 ALA 23 2HB ALA 23 4.292 -4.499 6.316 111 HB3 ALA 23 3HB ALA 23 5.378 -3.582 7.349 112 H SER 24 H SER 24 2.535 -5.194 9.779 113 HA SER 24 HA SER 24 0.524 -6.651 8.279 114 HB3 SER 24 2HB SER 24 1.781 -7.653 10.141 115 HG SER 24 HG SER 24 1.902 -6.076 11.671 116 H SER 25 H SER 25 0.313 -3.610 10.093 117 HA SER 25 HA SER 25 -2.620 -3.720 10.331 118 HB3 SER 25 2HB SER 25 -2.515 -1.466 11.053 119 HG SER 25 HG SER 25 -1.316 -1.643 12.826 120 H ILE 26 H ILE 26 -0.375 -3.101 7.826 121 HA ILE 26 HA ILE 26 -2.307 -1.560 6.153 122 HB ILE 26 HB ILE 26 0.509 -2.499 5.443 123 HG13 ILE 26 2HG1 ILE 26 1.408 -0.318 5.988 124 HG21 ILE 26 1HG2 ILE 26 0.381 -0.625 3.833 125 HG22 ILE 26 2HG2 ILE 26 -0.826 -1.897 3.538 126 HG23 ILE 26 3HG2 ILE 26 -1.314 -0.365 4.292 127 HD11 ILE 26 3HD1 ILE 26 -1.246 0.276 7.354 128 HD12 ILE 26 1HD1 ILE 26 0.254 1.199 7.558 129 HD13 ILE 26 2HD1 ILE 26 -0.537 1.165 5.978 130 H GLU 27 H GLU 27 -0.494 -4.632 6.167 131 HA GLU 27 HA GLU 27 -1.639 -5.510 3.654 132 HB3 GLU 27 2HB GLU 27 0.031 -7.111 5.607 133 HG3 GLU 27 2HG GLU 27 -0.002 -7.052 2.548 134 H ARG 28 H ARG 28 -2.462 -6.175 7.082 135 HA ARG 28 HA ARG 28 -4.010 -8.520 6.593 136 HB3 ARG 28 2HB ARG 28 -4.392 -6.332 8.672 137 HG3 ARG 28 2HG ARG 28 -6.223 -8.251 8.442 138 HD3 ARG 28 2HD ARG 28 -5.699 -10.145 9.970 139 HE ARG 28 HE ARG 28 -3.537 -10.450 8.018 140 HH11 ARG 28 1HH1 ARG 28 -7.079 -10.576 8.396 141 HH12 ARG 28 2HH1 ARG 28 -7.292 -11.406 6.884 142 HH21 ARG 28 1HH2 ARG 28 -3.888 -11.511 6.098 143 HH22 ARG 28 2HH2 ARG 28 -5.511 -11.961 5.615 144 H ALA 29 H ALA 29 -4.936 -5.064 6.473 145 HA ALA 29 HA ALA 29 -7.671 -5.402 5.850 146 HB1 ALA 29 1HB ALA 29 -5.642 -3.202 5.377 147 HB2 ALA 29 2HB ALA 29 -7.327 -3.058 4.820 148 HB3 ALA 29 3HB ALA 29 -6.980 -3.272 6.541 149 H LEU 30 H LEU 30 -4.893 -5.539 3.606 150 HA LEU 30 HA LEU 30 -5.847 -5.230 1.118 151 HB3 LEU 30 2HB LEU 30 -4.399 -7.731 2.098 152 HG LEU 30 HG LEU 30 -3.177 -7.758 0.035 153 HD11 LEU 30 1HD1 LEU 30 -6.023 -8.171 -0.824 154 HD12 LEU 30 2HD1 LEU 30 -5.134 -9.278 0.256 155 HD13 LEU 30 3HD1 LEU 30 -4.551 -8.955 -1.381 156 HD21 LEU 30 3HD2 LEU 30 -3.487 -5.415 -0.673 157 HD22 LEU 30 1HD2 LEU 30 -5.186 -5.744 -1.050 158 HD23 LEU 30 2HD2 LEU 30 -3.905 -6.540 -1.982 159 H GLU 31 H GLU 31 -6.642 -8.225 2.958 160 HA GLU 31 HA GLU 31 -7.963 -9.291 0.641 161 HB3 GLU 31 2HB GLU 31 -6.810 -10.833 2.038 162 HG3 GLU 31 2HG GLU 31 -8.549 -9.829 4.327 163 H ARG 32 H ARG 32 -9.012 -6.999 2.783 164 HA ARG 32 HA ARG 32 -11.848 -7.816 2.749 165 HB3 ARG 32 2HB ARG 32 -12.220 -6.089 4.388 166 HG3 ARG 32 2HG ARG 32 -9.578 -7.452 5.096 167 HD3 ARG 32 2HD ARG 32 -11.835 -6.608 6.929 168 HE ARG 32 HE ARG 32 -10.045 -8.334 7.619 169 HH11 ARG 32 1HH1 ARG 32 -9.257 -4.871 7.872 170 HH12 ARG 32 2HH1 ARG 32 -8.037 -5.178 9.069 171 HH21 ARG 32 1HH2 ARG 32 -8.770 -8.545 9.481 172 HH22 ARG 32 2HH2 ARG 32 -8.019 -7.117 10.169 173 H LEU 33 H LEU 33 -9.601 -5.467 1.420 174 HA LEU 33 HA LEU 33 -11.272 -3.452 0.424 175 HB3 LEU 33 2HB LEU 33 -9.463 -3.001 -1.191 176 HG LEU 33 HG LEU 33 -8.275 -4.027 1.412 177 HD11 LEU 33 1HD1 LEU 33 -6.980 -2.131 -0.563 178 HD12 LEU 33 2HD1 LEU 33 -6.658 -3.878 -0.512 179 HD13 LEU 33 3HD1 LEU 33 -6.292 -2.877 0.893 180 HD21 LEU 33 3HD2 LEU 33 -9.856 -2.168 1.779 181 HD22 LEU 33 1HD2 LEU 33 -9.004 -1.197 0.555 182 HD23 LEU 33 2HD2 LEU 33 -8.182 -1.662 2.062 183 H LYS 34 H LYS 34 -12.278 -3.007 -1.510 184 HA LYS 34 HA LYS 34 -12.804 -5.222 -3.434 185 HB3 LYS 34 2HB LYS 34 -13.966 -2.411 -3.493 186 HG3 LYS 34 2HG LYS 34 -14.941 -5.139 -4.466 187 HD3 LYS 34 2HD LYS 34 -16.251 -2.415 -4.850 188 HE3 LYS 34 2HE LYS 34 -17.071 -5.278 -5.541 189 HZ1 LYS 34 3HZ LYS 34 -18.944 -4.253 -6.594 190 HZ2 LYS 34 1HZ LYS 34 -18.518 -2.748 -6.111 191 HZ3 LYS 34 2HZ LYS 34 -18.985 -3.870 -4.992 192 H GLY 35 H GLY 35 -12.090 -5.098 -5.601 193 HA2 GLY 35 2HA GLY 35 -11.132 -4.184 -7.511 194 HA3 GLY 35 3HA GLY 35 -10.683 -2.717 -6.615 195 H VAL 36 H VAL 36 -9.579 -5.668 -5.143 196 HA VAL 36 HA VAL 36 -6.828 -5.226 -6.282 197 HB VAL 36 HB VAL 36 -5.846 -6.004 -4.200 198 HG11 VAL 36 1HG1 VAL 36 -6.202 -4.092 -2.795 199 HG12 VAL 36 2HG1 VAL 36 -6.189 -3.568 -4.487 200 HG13 VAL 36 3HG1 VAL 36 -7.733 -3.702 -3.604 201 HG21 VAL 36 3HG2 VAL 36 -8.606 -5.921 -2.940 202 HG22 VAL 36 1HG2 VAL 36 -7.735 -7.418 -3.362 203 HG23 VAL 36 2HG2 VAL 36 -7.079 -6.313 -2.154 204 H ALA 37 H ALA 37 -5.380 -7.167 -6.070 205 HA ALA 37 HA ALA 37 -6.769 -9.784 -5.761 206 HB1 ALA 37 1HB ALA 37 -5.177 -9.034 -8.250 207 HB2 ALA 37 2HB ALA 37 -5.792 -10.654 -7.884 208 HB3 ALA 37 3HB ALA 37 -6.934 -9.332 -8.149 209 H GLU 38 H GLU 38 -3.792 -7.986 -5.287 210 HA GLU 38 HA GLU 38 -2.490 -10.198 -4.004 211 HB3 GLU 38 2HB GLU 38 -1.110 -9.157 -6.495 212 HG3 GLU 38 2HG GLU 38 -0.810 -11.816 -5.051 213 H ALA 39 H ALA 39 -0.719 -9.397 -2.722 214 HA ALA 39 HA ALA 39 0.571 -6.872 -3.312 215 HB1 ALA 39 1HB ALA 39 -0.104 -5.669 -1.280 216 HB2 ALA 39 2HB ALA 39 -1.535 -6.051 -2.264 217 HB3 ALA 39 3HB ALA 39 -1.168 -7.015 -0.814 218 H SER 40 H SER 40 2.282 -6.333 -1.644 219 HA SER 40 HA SER 40 3.091 -8.501 0.206 220 HB3 SER 40 2HB SER 40 4.798 -7.904 -2.235 221 HG SER 40 HG SER 40 5.385 -10.197 -1.313 222 H VAL 41 H VAL 41 3.618 -7.299 1.958 223 HA VAL 41 HA VAL 41 5.068 -4.779 1.791 224 HB VAL 41 HB VAL 41 5.300 -4.887 4.203 225 HG11 VAL 41 1HG1 VAL 41 2.554 -5.605 3.128 226 HG12 VAL 41 2HG1 VAL 41 2.843 -5.134 4.806 227 HG13 VAL 41 3HG1 VAL 41 3.232 -4.016 3.507 228 HG21 VAL 41 3HG2 VAL 41 4.331 -6.810 5.514 229 HG22 VAL 41 1HG2 VAL 41 4.354 -7.767 4.023 230 HG23 VAL 41 2HG2 VAL 41 5.859 -7.140 4.703 231 H THR 42 H THR 42 7.190 -4.269 2.333 232 HA THR 42 HA THR 42 8.992 -6.484 3.154 233 HB THR 42 HB THR 42 9.686 -6.177 0.948 234 HG1 THR 42 1HG THR 42 11.777 -5.126 1.380 235 HG21 THR 42 3HG2 THR 42 8.729 -4.005 0.358 236 HG22 THR 42 1HG2 THR 42 10.442 -4.064 -0.029 237 HG23 THR 42 2HG2 THR 42 9.902 -3.185 1.414 238 H VAL 43 H VAL 43 9.558 -6.160 5.104 239 HA VAL 43 HA VAL 43 9.081 -3.572 6.498 240 HB VAL 43 HB VAL 43 9.781 -6.375 7.464 241 HG11 VAL 43 1HG1 VAL 43 9.404 -5.518 9.787 242 HG12 VAL 43 2HG1 VAL 43 10.857 -4.842 9.061 243 HG13 VAL 43 3HG1 VAL 43 9.373 -3.860 9.148 244 HG21 VAL 43 3HG2 VAL 43 7.521 -6.199 8.516 245 HG22 VAL 43 1HG2 VAL 43 7.328 -4.601 7.780 246 HG23 VAL 43 2HG2 VAL 43 7.436 -6.048 6.751 247 H ALA 44 H ALA 44 11.684 -5.733 5.434 248 HA ALA 44 HA ALA 44 13.871 -4.835 6.909 249 HB1 ALA 44 1HB ALA 44 13.859 -6.822 5.459 250 HB2 ALA 44 2HB ALA 44 13.726 -5.802 4.009 251 HB3 ALA 44 3HB ALA 44 15.193 -5.750 5.005 252 H THR 45 H THR 45 12.749 -3.579 3.751 253 HA THR 45 HA THR 45 14.497 -1.184 3.910 254 HB THR 45 HB THR 45 13.644 -0.832 1.569 255 HG1 THR 45 1HG THR 45 12.785 -3.188 0.957 256 HG21 THR 45 3HG2 THR 45 14.925 -2.635 0.543 257 HG22 THR 45 1HG2 THR 45 14.881 -3.584 2.046 258 HG23 THR 45 2HG2 THR 45 15.775 -2.053 1.979 259 H GLY 46 H GLY 46 11.065 -2.065 4.092 260 HA2 GLY 46 2HA GLY 46 9.355 -0.810 5.076 261 HA3 GLY 46 3HA GLY 46 10.350 0.667 4.984 262 H ARG 47 H ARG 47 9.127 -1.680 2.563 263 HA ARG 47 HA ARG 47 7.807 0.561 1.098 264 HB3 ARG 47 2HB ARG 47 8.702 -0.165 -1.028 265 HG3 ARG 47 2HG ARG 47 11.121 0.175 0.781 266 HD3 ARG 47 2HD ARG 47 11.997 1.463 -1.136 267 HE ARG 47 HE ARG 47 10.976 -1.047 -2.356 268 HH11 ARG 47 1HH1 ARG 47 13.785 0.453 -0.720 269 HH12 ARG 47 2HH1 ARG 47 14.868 -0.744 -1.385 270 HH21 ARG 47 1HH2 ARG 47 12.386 -2.581 -2.988 271 HH22 ARG 47 2HH2 ARG 47 14.081 -2.475 -2.596 272 H LEU 48 H LEU 48 6.478 -0.388 -0.809 273 HA LEU 48 HA LEU 48 5.297 -3.025 -0.134 274 HB3 LEU 48 2HB LEU 48 3.185 -1.026 -0.605 275 HG LEU 48 HG LEU 48 3.885 -2.820 1.752 276 HD11 LEU 48 1HD1 LEU 48 1.348 -1.212 1.281 277 HD12 LEU 48 2HD1 LEU 48 2.603 -0.832 2.485 278 HD13 LEU 48 3HD1 LEU 48 1.656 -2.325 2.628 279 HD21 LEU 48 3HD2 LEU 48 1.874 -4.131 1.026 280 HD22 LEU 48 1HD2 LEU 48 3.133 -4.118 -0.202 281 HD23 LEU 48 2HD2 LEU 48 1.715 -3.070 -0.393 282 H THR 49 H THR 49 4.177 -4.017 -1.725 283 HA THR 49 HA THR 49 3.861 -2.689 -4.382 284 HB THR 49 HB THR 49 4.438 -5.655 -4.043 285 HG1 THR 49 1HG THR 49 6.476 -5.067 -4.953 286 HG21 THR 49 3HG2 THR 49 4.515 -3.776 -6.462 287 HG22 THR 49 1HG2 THR 49 3.231 -4.968 -6.132 288 HG23 THR 49 2HG2 THR 49 4.865 -5.517 -6.477 289 H VAL 50 H VAL 50 1.887 -2.985 -5.296 290 HA VAL 50 HA VAL 50 -0.111 -4.831 -4.084 291 HB VAL 50 HB VAL 50 -0.347 -2.757 -2.822 292 HG11 VAL 50 1HG1 VAL 50 -1.083 -0.643 -3.892 293 HG12 VAL 50 2HG1 VAL 50 0.553 -1.105 -4.384 294 HG13 VAL 50 3HG1 VAL 50 -0.811 -1.349 -5.487 295 HG21 VAL 50 3HG2 VAL 50 -2.393 -4.012 -3.243 296 HG22 VAL 50 1HG2 VAL 50 -2.701 -2.264 -3.165 297 HG23 VAL 50 2HG2 VAL 50 -2.683 -3.092 -4.732 298 H THR 51 H THR 51 -1.606 -5.614 -5.519 299 HA THR 51 HA THR 51 -1.561 -4.627 -8.352 300 HB THR 51 HB THR 51 -2.200 -7.384 -7.224 301 HG1 THR 51 1HG THR 51 -0.010 -6.949 -7.336 302 HG21 THR 51 3HG2 THR 51 -2.300 -8.066 -9.627 303 HG22 THR 51 1HG2 THR 51 -2.187 -6.363 -10.119 304 HG23 THR 51 2HG2 THR 51 -3.607 -6.948 -9.227 305 H TYR 52 H TYR 52 -3.259 -3.528 -8.939 306 HA TYR 52 HA TYR 52 -5.956 -4.161 -7.920 307 HB3 TYR 52 2HB TYR 52 -5.084 -2.558 -6.320 308 HD1 TYR 52 1HD TYR 52 -5.933 -0.165 -9.105 309 HD2 TYR 52 2HD TYR 52 -2.991 -1.460 -6.241 310 HE1 TYR 52 1HE TYR 52 -4.658 1.932 -9.466 311 HE2 TYR 52 2HE TYR 52 -1.727 0.657 -6.577 312 HH TYR 52 HH TYR 52 -2.912 3.254 -8.727 313 H ASP 53 H ASP 53 -7.693 -2.916 -8.964 314 HA ASP 53 HA ASP 53 -7.395 -2.979 -11.871 315 HB3 ASP 53 2HB ASP 53 -9.721 -2.804 -9.927 316 HA PRO 54 HA PRO 54 -6.729 1.440 -11.221 317 HB3 PRO 54 2HB PRO 54 -4.898 1.180 -12.619 318 HG3 PRO 54 2HG PRO 54 -5.014 -0.198 -14.583 319 HD3 PRO 54 2HD PRO 54 -5.567 -1.559 -12.739 320 H LYS 55 H LYS 55 -9.383 0.104 -12.507 321 HA LYS 55 HA LYS 55 -10.609 2.727 -13.350 322 HB3 LYS 55 2HB LYS 55 -12.209 1.356 -14.707 323 HG3 LYS 55 2HG LYS 55 -9.317 1.086 -15.630 324 HD3 LYS 55 2HD LYS 55 -11.949 1.541 -17.114 325 HE3 LYS 55 2HE LYS 55 -9.091 1.197 -18.136 326 HZ1 LYS 55 3HZ LYS 55 -11.559 1.924 -19.599 327 HZ2 LYS 55 1HZ LYS 55 -10.918 0.417 -19.600 328 HZ3 LYS 55 2HZ LYS 55 -10.049 1.670 -20.242 329 H GLN 56 H GLN 56 -11.213 -0.457 -11.767 330 HA GLN 56 HA GLN 56 -13.585 0.532 -10.392 331 HB3 GLN 56 2HB GLN 56 -12.997 -1.285 -8.697 332 HG3 GLN 56 2HG GLN 56 -13.219 -2.283 -11.549 333 HE21 GLN 56 1HE2 GLN 56 -12.220 -4.293 -10.879 334 HE22 GLN 56 2HE2 GLN 56 -12.974 -5.351 -9.678 335 H VAL 57 H VAL 57 -10.068 0.748 -9.685 336 HA VAL 57 HA VAL 57 -10.626 2.664 -7.501 337 HB VAL 57 HB VAL 57 -9.119 1.518 -5.960 338 HG11 VAL 57 1HG1 VAL 57 -11.448 -0.297 -6.700 339 HG12 VAL 57 2HG1 VAL 57 -10.623 -0.191 -5.143 340 HG13 VAL 57 3HG1 VAL 57 -11.560 1.191 -5.727 341 HG21 VAL 57 3HG2 VAL 57 -7.824 0.128 -7.565 342 HG22 VAL 57 1HG2 VAL 57 -8.471 -0.818 -6.217 343 HG23 VAL 57 2HG2 VAL 57 -9.252 -0.905 -7.806 344 H SER 58 H SER 58 -8.207 3.160 -6.503 345 HA SER 58 HA SER 58 -6.194 3.447 -8.643 346 HB3 SER 58 2HB SER 58 -7.799 5.414 -8.805 347 HG SER 58 HG SER 58 -8.131 6.620 -7.106 348 H GLU 59 H GLU 59 -4.379 5.071 -7.411 349 HA GLU 59 HA GLU 59 -3.257 3.856 -5.163 350 HB3 GLU 59 2HB GLU 59 -2.015 5.440 -6.414 351 HG3 GLU 59 2HG GLU 59 -3.869 7.605 -5.348 352 H ILE 60 H ILE 60 -6.209 5.744 -5.161 353 HA ILE 60 HA ILE 60 -6.342 6.397 -2.350 354 HB ILE 60 HB ILE 60 -8.412 5.955 -4.516 355 HG13 ILE 60 2HG1 ILE 60 -8.686 8.387 -4.457 356 HG21 ILE 60 1HG2 ILE 60 -9.614 5.449 -2.550 357 HG22 ILE 60 2HG2 ILE 60 -8.927 6.836 -1.665 358 HG23 ILE 60 3HG2 ILE 60 -10.060 7.085 -3.019 359 HD11 ILE 60 3HD1 ILE 60 -6.195 8.545 -2.706 360 HD12 ILE 60 1HD1 ILE 60 -7.117 9.882 -3.400 361 HD13 ILE 60 2HD1 ILE 60 -7.844 8.888 -2.124 362 H THR 61 H THR 61 -6.721 3.263 -3.915 363 HA THR 61 HA THR 61 -7.912 2.037 -1.482 364 HB THR 61 HB THR 61 -7.088 0.991 -4.189 365 HG1 THR 61 1HG THR 61 -9.053 2.095 -3.993 366 HG21 THR 61 3HG2 THR 61 -8.268 -1.125 -3.564 367 HG22 THR 61 1HG2 THR 61 -8.216 -0.618 -1.860 368 HG23 THR 61 2HG2 THR 61 -6.708 -0.942 -2.761 369 H ILE 62 H ILE 62 -4.860 3.142 -2.141 370 HA ILE 62 HA ILE 62 -3.915 1.519 0.195 371 HB ILE 62 HB ILE 62 -2.956 0.606 -1.819 372 HG13 ILE 62 2HG1 ILE 62 -1.724 0.793 0.447 373 HG21 ILE 62 1HG2 ILE 62 -1.323 1.796 -3.201 374 HG22 ILE 62 2HG2 ILE 62 -2.911 2.519 -3.312 375 HG23 ILE 62 3HG2 ILE 62 -1.656 3.310 -2.322 376 HD11 ILE 62 3HD1 ILE 62 -0.012 0.414 -2.035 377 HD12 ILE 62 1HD1 ILE 62 0.358 -0.145 -0.404 378 HD13 ILE 62 2HD1 ILE 62 -1.029 -0.830 -1.277 379 H GLN 63 H GLN 63 -4.091 4.708 -1.199 380 HA GLN 63 HA GLN 63 -2.329 6.021 0.557 381 HB3 GLN 63 2HB GLN 63 -4.938 7.034 -0.672 382 HG3 GLN 63 2HG GLN 63 -2.462 8.488 0.354 383 HE21 GLN 63 1HE2 GLN 63 -5.409 10.343 -0.111 384 HE22 GLN 63 2HE2 GLN 63 -4.787 11.161 -1.530 385 H GLU 64 H GLU 64 -5.884 5.511 1.085 386 HA GLU 64 HA GLU 64 -5.930 7.107 3.486 387 HB3 GLU 64 2HB GLU 64 -8.167 6.242 3.796 388 HG3 GLU 64 2HG GLU 64 -7.712 6.496 0.784 389 H ARG 65 H ARG 65 -5.726 3.645 2.832 390 HA ARG 65 HA ARG 65 -5.539 2.589 5.460 391 HB3 ARG 65 2HB ARG 65 -4.560 1.678 2.726 392 HG3 ARG 65 2HG ARG 65 -4.994 0.058 5.266 393 HD3 ARG 65 2HD ARG 65 -6.322 -1.010 3.550 394 HE ARG 65 HE ARG 65 -5.538 -0.310 1.429 395 HH11 ARG 65 1HH1 ARG 65 -3.170 -2.577 2.899 396 HH12 ARG 65 2HH1 ARG 65 -2.445 -2.852 1.321 397 HH21 ARG 65 1HH2 ARG 65 -4.560 -0.832 -0.464 398 HH22 ARG 65 2HH2 ARG 65 -3.181 -1.946 -0.472 399 H ILE 66 H ILE 66 -3.213 4.492 3.832 400 HA ILE 66 HA ILE 66 -1.061 3.606 5.759 401 HB ILE 66 HB ILE 66 -0.956 5.012 3.059 402 HG13 ILE 66 2HG1 ILE 66 -1.137 2.465 3.169 403 HG21 ILE 66 1HG2 ILE 66 0.685 6.081 4.655 404 HG22 ILE 66 2HG2 ILE 66 1.393 4.460 4.904 405 HG23 ILE 66 3HG2 ILE 66 1.453 5.244 3.315 406 HD11 ILE 66 3HD1 ILE 66 0.612 1.924 1.646 407 HD12 ILE 66 1HD1 ILE 66 0.041 3.558 1.256 408 HD13 ILE 66 2HD1 ILE 66 1.582 3.327 2.122 409 H ALA 67 H ALA 67 -2.801 6.456 4.474 410 HA ALA 67 HA ALA 67 -1.484 8.355 6.123 411 HB1 ALA 67 1HB ALA 67 -3.261 9.869 5.297 412 HB2 ALA 67 2HB ALA 67 -2.592 8.875 3.988 413 HB3 ALA 67 3HB ALA 67 -4.176 8.473 4.693 414 H ALA 68 H ALA 68 -4.550 6.569 6.647 415 HA ALA 68 HA ALA 68 -5.119 7.927 9.190 416 HB1 ALA 68 1HB ALA 68 -7.040 6.400 9.235 417 HB2 ALA 68 2HB ALA 68 -6.902 7.152 7.634 418 HB3 ALA 68 3HB ALA 68 -6.373 5.471 7.877 419 H LEU 69 H LEU 69 -3.363 5.048 8.215 420 HA LEU 69 HA LEU 69 -3.299 3.858 10.891 421 HB3 LEU 69 2HB LEU 69 -1.433 2.483 9.609 422 HG LEU 69 HG LEU 69 -3.098 1.091 8.442 423 HD11 LEU 69 1HD1 LEU 69 -2.597 0.825 10.874 424 HD12 LEU 69 2HD1 LEU 69 -4.213 0.267 10.408 425 HD13 LEU 69 3HD1 LEU 69 -4.022 1.812 11.253 426 HD21 LEU 69 3HD2 LEU 69 -5.258 2.982 9.455 427 HD22 LEU 69 1HD2 LEU 69 -5.464 1.490 8.521 428 HD23 LEU 69 2HD2 LEU 69 -4.711 2.907 7.768 429 H GLY 70 H GLY 70 -1.694 6.520 9.615 430 HA2 GLY 70 2HA GLY 70 -0.584 7.929 11.190 431 HA3 GLY 70 3HA GLY 70 0.175 6.523 11.954 432 H TYR 71 H TYR 71 0.258 6.535 8.507 433 HA TYR 71 HA TYR 71 3.148 7.356 8.469 434 HB3 TYR 71 2HB TYR 71 3.434 5.465 6.917 435 HD1 TYR 71 1HD TYR 71 4.412 5.433 9.539 436 HD2 TYR 71 2HD TYR 71 0.850 3.471 8.111 437 HE1 TYR 71 1HE TYR 71 4.400 3.985 11.564 438 HE2 TYR 71 2HE TYR 71 0.851 2.009 10.110 439 HH TYR 71 HH TYR 71 1.685 1.729 12.207 440 H THR 72 H THR 72 3.718 7.420 5.828 441 HA THR 72 HA THR 72 1.521 8.804 4.356 442 HB THR 72 HB THR 72 3.164 10.443 3.405 443 HG1 THR 72 1HG THR 72 5.098 9.790 3.910 444 HG21 THR 72 3HG2 THR 72 3.078 12.001 5.297 445 HG22 THR 72 1HG2 THR 72 2.636 10.673 6.390 446 HG23 THR 72 2HG2 THR 72 1.535 11.154 5.086 447 H LEU 73 H LEU 73 1.474 8.551 2.223 448 HA LEU 73 HA LEU 73 3.029 6.321 1.065 449 HB3 LEU 73 2HB LEU 73 0.545 7.906 0.296 450 HG LEU 73 HG LEU 73 1.643 7.223 -1.838 451 HD11 LEU 73 1HD1 LEU 73 1.237 4.388 -0.780 452 HD12 LEU 73 2HD1 LEU 73 2.811 5.173 -1.000 453 HD13 LEU 73 3HD1 LEU 73 1.788 4.840 -2.407 454 HD21 LEU 73 3HD2 LEU 73 -0.831 7.361 -1.611 455 HD22 LEU 73 1HD2 LEU 73 -0.869 5.635 -1.177 456 HD23 LEU 73 2HD2 LEU 73 -0.321 6.139 -2.787 457 H ALA 74 H ALA 74 4.493 6.495 -0.565 458 HA ALA 74 HA ALA 74 4.642 9.009 -2.174 459 HB1 ALA 74 1HB ALA 74 6.486 9.011 -0.535 460 HB2 ALA 74 2HB ALA 74 6.944 7.380 -1.027 461 HB3 ALA 74 3HB ALA 74 7.109 8.724 -2.175 462 H GLU 75 H GLU 75 3.762 8.338 -4.050 463 HA GLU 75 HA GLU 75 5.049 6.032 -5.467 464 HB3 GLU 75 2HB GLU 75 2.187 6.946 -5.964 465 HG3 GLU 75 2HG GLU 75 1.913 4.589 -6.678 466 HA PRO 76 HA PRO 76 5.981 10.054 -7.561 467 HB3 PRO 76 2HB PRO 76 8.053 10.051 -6.528 468 HG3 PRO 76 2HG PRO 76 9.241 8.033 -6.114 469 HD3 PRO 76 2HD PRO 76 7.126 7.801 -5.089 Start of MODEL 2 1 H2 PRO 6 2H PRO 6 -7.382 -3.709 -17.637 2 HA PRO 6 HA PRO 6 -8.568 -5.149 -15.365 3 HB3 PRO 6 2HB PRO 6 -7.452 -7.110 -16.083 4 HG3 PRO 6 2HG PRO 6 -9.106 -7.080 -17.742 5 HD3 PRO 6 2HD PRO 6 -10.009 -5.001 -17.466 6 H LEU 7 H LEU 7 -6.840 -5.961 -13.913 7 HA LEU 7 HA LEU 7 -5.565 -4.016 -12.530 8 HB3 LEU 7 2HB LEU 7 -6.218 -6.297 -11.797 9 HG LEU 7 HG LEU 7 -3.458 -7.191 -12.748 10 HD11 LEU 7 1HD1 LEU 7 -4.210 -9.392 -11.855 11 HD12 LEU 7 2HD1 LEU 7 -5.717 -8.643 -11.301 12 HD13 LEU 7 3HD1 LEU 7 -4.157 -8.149 -10.609 13 HD21 LEU 7 3HD2 LEU 7 -6.174 -8.092 -13.803 14 HD22 LEU 7 1HD2 LEU 7 -4.642 -8.906 -14.133 15 HD23 LEU 7 2HD2 LEU 7 -4.893 -7.274 -14.734 16 H LYS 8 H LYS 8 -3.466 -3.452 -11.927 17 HA LYS 8 HA LYS 8 -1.214 -4.086 -13.780 18 HB3 LYS 8 2HB LYS 8 -0.567 -1.704 -13.843 19 HG3 LYS 8 2HG LYS 8 -3.447 -1.900 -14.800 20 HD3 LYS 8 2HD LYS 8 -2.813 -0.344 -16.508 21 HE3 LYS 8 2HE LYS 8 -1.602 0.821 -13.967 22 HZ1 LYS 8 3HZ LYS 8 -2.602 2.833 -14.802 23 HZ2 LYS 8 1HZ LYS 8 -3.286 2.062 -16.077 24 HZ3 LYS 8 2HZ LYS 8 -1.654 2.222 -16.004 25 H THR 9 H THR 9 0.577 -4.621 -12.639 26 HA THR 9 HA THR 9 0.853 -4.283 -9.776 27 HB THR 9 HB THR 9 1.741 -6.239 -10.901 28 HG1 THR 9 1HG THR 9 3.218 -6.258 -9.395 29 HG21 THR 9 3HG2 THR 9 3.803 -4.389 -12.185 30 HG22 THR 9 1HG2 THR 9 2.513 -5.244 -13.049 31 HG23 THR 9 2HG2 THR 9 3.789 -6.162 -12.246 32 H GLN 10 H GLN 10 2.370 -3.111 -8.534 33 HA GLN 10 HA GLN 10 4.167 -1.209 -9.689 34 HB3 GLN 10 2HB GLN 10 2.186 0.129 -10.088 35 HG3 GLN 10 2HG GLN 10 1.523 -0.324 -7.150 36 HE21 GLN 10 1HE2 GLN 10 0.785 1.524 -6.139 37 HE22 GLN 10 2HE2 GLN 10 -0.087 2.806 -6.966 38 H GLN 11 H GLN 11 5.339 -0.052 -8.029 39 HA GLN 11 HA GLN 11 5.198 -1.146 -5.310 40 HB3 GLN 11 2HB GLN 11 6.612 -2.788 -6.353 41 HG3 GLN 11 2HG GLN 11 8.878 -2.127 -7.264 42 HE21 GLN 11 1HE2 GLN 11 7.663 -0.003 -9.523 43 HE22 GLN 11 2HE2 GLN 11 6.806 -1.156 -10.563 44 H MET 12 H MET 12 6.545 0.039 -3.779 45 HA MET 12 HA MET 12 7.023 2.864 -4.500 46 HB3 MET 12 2HB MET 12 4.549 2.479 -4.589 47 HG3 MET 12 2HG MET 12 4.710 2.053 -1.592 48 HE1 MET 12 3HE MET 12 2.931 3.348 -0.553 49 HE2 MET 12 1HE MET 12 3.119 4.351 -2.005 50 HE3 MET 12 2HE MET 12 1.492 3.926 -1.423 51 H GLN 13 H GLN 13 7.205 4.244 -2.586 52 HA GLN 13 HA GLN 13 8.479 2.869 -0.273 53 HB3 GLN 13 2HB GLN 13 9.650 5.134 -0.016 54 HG3 GLN 13 2HG GLN 13 10.114 3.460 -2.522 55 HE21 GLN 13 1HE2 GLN 13 10.184 5.678 -3.688 56 HE22 GLN 13 2HE2 GLN 13 11.719 6.532 -3.646 57 H VAL 14 H VAL 14 8.218 4.068 1.783 58 HA VAL 14 HA VAL 14 5.907 5.797 2.196 59 HB VAL 14 HB VAL 14 4.587 3.847 1.914 60 HG11 VAL 14 1HG1 VAL 14 6.418 2.343 3.790 61 HG12 VAL 14 2HG1 VAL 14 4.894 1.729 3.119 62 HG13 VAL 14 3HG1 VAL 14 6.245 2.066 2.038 63 HG21 VAL 14 3HG2 VAL 14 3.515 3.476 4.040 64 HG22 VAL 14 1HG2 VAL 14 4.908 4.134 4.915 65 HG23 VAL 14 2HG2 VAL 14 3.935 5.182 3.863 66 H GLY 15 H GLY 15 5.952 6.810 4.089 67 HA2 GLY 15 2HA GLY 15 8.323 6.583 5.822 68 HA3 GLY 15 3HA GLY 15 7.054 7.828 5.877 69 H GLY 16 H GLY 16 8.347 5.355 7.495 70 HA2 GLY 16 2HA GLY 16 7.870 4.736 9.636 71 HA3 GLY 16 3HA GLY 16 6.178 5.253 9.453 72 H MET 17 H MET 17 6.358 3.262 6.874 73 HA MET 17 HA MET 17 5.003 1.166 8.307 74 HB3 MET 17 2HB MET 17 6.031 0.888 5.488 75 HG3 MET 17 2HG MET 17 3.283 0.257 6.607 76 HE1 MET 17 3HE MET 17 6.240 -0.859 4.070 77 HE2 MET 17 1HE MET 17 5.745 -2.228 5.095 78 HE3 MET 17 2HE MET 17 5.405 -2.243 3.356 79 H ARG 18 H ARG 18 8.415 1.516 7.547 80 HA ARG 18 HA ARG 18 9.210 -1.196 7.594 81 HB3 ARG 18 2HB ARG 18 10.712 0.632 7.003 82 HG3 ARG 18 2HG ARG 18 10.998 1.241 9.968 83 HD3 ARG 18 2HD ARG 18 12.067 2.509 7.408 84 HE ARG 18 HE ARG 18 11.535 3.789 9.834 85 HH11 ARG 18 1HH1 ARG 18 14.411 3.330 7.803 86 HH12 ARG 18 2HH1 ARG 18 15.038 4.902 8.238 87 HH21 ARG 18 1HH2 ARG 18 12.423 5.668 10.402 88 HH22 ARG 18 2HH2 ARG 18 13.954 6.200 9.750 89 H CYS 19 H CYS 19 9.831 -2.549 9.068 90 HA CYS 19 HA CYS 19 10.107 -3.691 11.048 91 HB3 CYS 19 2HB CYS 19 9.250 -2.941 13.229 92 HG CYS 19 HG CYS 19 10.731 -0.790 13.719 93 H ALA 20 H ALA 20 8.920 -5.460 11.625 94 HA ALA 20 HA ALA 20 6.773 -6.112 9.959 95 HB1 ALA 20 1HB ALA 20 6.650 -8.176 11.336 96 HB2 ALA 20 2HB ALA 20 8.323 -7.731 10.956 97 HB3 ALA 20 3HB ALA 20 7.662 -7.402 12.574 98 H ALA 21 H ALA 21 6.512 -5.017 13.376 99 HA ALA 21 HA ALA 21 3.685 -5.346 13.619 100 HB1 ALA 21 1HB ALA 21 3.910 -3.743 15.479 101 HB2 ALA 21 2HB ALA 21 5.203 -4.947 15.530 102 HB3 ALA 21 3HB ALA 21 5.536 -3.306 14.931 103 H CYS 22 H CYS 22 5.554 -2.753 12.032 104 HA CYS 22 HA CYS 22 3.190 -1.032 11.785 105 HB3 CYS 22 2HB CYS 22 4.832 0.390 10.456 106 HG CYS 22 HG CYS 22 6.100 -0.607 13.389 107 H ALA 23 H ALA 23 5.197 -2.917 9.462 108 HA ALA 23 HA ALA 23 3.526 -2.674 7.211 109 HB1 ALA 23 1HB ALA 23 5.777 -3.711 7.308 110 HB2 ALA 23 2HB ALA 23 5.095 -5.094 8.202 111 HB3 ALA 23 3HB ALA 23 4.583 -4.765 6.533 112 H SER 24 H SER 24 2.927 -4.489 10.177 113 HA SER 24 HA SER 24 1.012 -6.358 9.089 114 HB3 SER 24 2HB SER 24 0.252 -6.597 11.475 115 HG SER 24 HG SER 24 3.081 -6.718 11.085 116 H SER 25 H SER 25 0.498 -3.017 10.330 117 HA SER 25 HA SER 25 -2.368 -3.226 10.399 118 HB3 SER 25 2HB SER 25 -2.332 -0.832 10.629 119 HG SER 25 HG SER 25 -0.729 -0.580 12.238 120 H ILE 26 H ILE 26 -0.150 -1.968 7.870 121 HA ILE 26 HA ILE 26 -2.179 -1.288 5.927 122 HB ILE 26 HB ILE 26 0.795 -1.903 5.811 123 HG13 ILE 26 2HG1 ILE 26 -0.840 0.503 4.864 124 HG21 ILE 26 1HG2 ILE 26 -0.023 -2.968 3.744 125 HG22 ILE 26 2HG2 ILE 26 -0.924 -1.485 3.329 126 HG23 ILE 26 3HG2 ILE 26 0.849 -1.492 3.387 127 HD11 ILE 26 3HD1 ILE 26 0.999 0.239 7.281 128 HD12 ILE 26 1HD1 ILE 26 0.416 1.768 6.586 129 HD13 ILE 26 2HD1 ILE 26 -0.743 0.627 7.296 130 H GLU 27 H GLU 27 -0.376 -4.290 6.526 131 HA GLU 27 HA GLU 27 -1.518 -5.776 4.388 132 HB3 GLU 27 2HB GLU 27 -0.344 -6.841 6.997 133 HG3 GLU 27 2HG GLU 27 0.831 -8.410 5.423 134 H ARG 28 H ARG 28 -2.533 -5.445 7.833 135 HA ARG 28 HA ARG 28 -4.456 -7.525 7.856 136 HB3 ARG 28 2HB ARG 28 -4.222 -4.977 9.506 137 HG3 ARG 28 2HG ARG 28 -5.684 -7.598 10.112 138 HD3 ARG 28 2HD ARG 28 -6.314 -6.591 12.230 139 HE ARG 28 HE ARG 28 -4.235 -7.748 12.444 140 HH11 ARG 28 1HH1 ARG 28 -3.785 -4.180 12.296 141 HH12 ARG 28 2HH1 ARG 28 -2.161 -4.350 12.939 142 HH21 ARG 28 1HH2 ARG 28 -2.158 -7.748 13.292 143 HH22 ARG 28 2HH2 ARG 28 -1.323 -6.206 13.509 144 H ALA 29 H ALA 29 -4.835 -4.113 6.880 145 HA ALA 29 HA ALA 29 -7.727 -4.422 6.468 146 HB1 ALA 29 1HB ALA 29 -7.523 -2.128 5.507 147 HB2 ALA 29 2HB ALA 29 -6.917 -2.283 7.172 148 HB3 ALA 29 3HB ALA 29 -5.765 -2.201 5.826 149 H LEU 30 H LEU 30 -4.943 -5.113 4.448 150 HA LEU 30 HA LEU 30 -5.825 -4.563 1.855 151 HB3 LEU 30 2HB LEU 30 -4.370 -7.038 2.932 152 HG LEU 30 HG LEU 30 -3.094 -7.112 0.895 153 HD11 LEU 30 1HD1 LEU 30 -4.425 -8.461 -0.431 154 HD12 LEU 30 2HD1 LEU 30 -5.926 -7.692 0.068 155 HD13 LEU 30 3HD1 LEU 30 -5.005 -8.692 1.224 156 HD21 LEU 30 3HD2 LEU 30 -3.513 -4.835 0.054 157 HD22 LEU 30 1HD2 LEU 30 -5.185 -5.292 -0.340 158 HD23 LEU 30 2HD2 LEU 30 -3.820 -6.070 -1.173 159 H GLU 31 H GLU 31 -6.619 -7.441 3.813 160 HA GLU 31 HA GLU 31 -7.782 -8.843 1.672 161 HB3 GLU 31 2HB GLU 31 -6.950 -10.106 3.522 162 HG3 GLU 31 2HG GLU 31 -8.676 -8.331 5.273 163 H ARG 32 H ARG 32 -9.082 -6.391 3.780 164 HA ARG 32 HA ARG 32 -11.847 -7.135 3.141 165 HB3 ARG 32 2HB ARG 32 -11.489 -6.999 5.470 166 HG3 ARG 32 2HG ARG 32 -10.685 -4.081 5.082 167 HD3 ARG 32 2HD ARG 32 -11.221 -5.716 7.605 168 HE ARG 32 HE ARG 32 -10.668 -2.777 7.531 169 HH11 ARG 32 1HH1 ARG 32 -9.581 -5.918 8.847 170 HH12 ARG 32 2HH1 ARG 32 -8.793 -5.085 10.181 171 HH21 ARG 32 1HH2 ARG 32 -9.524 -1.910 9.076 172 HH22 ARG 32 2HH2 ARG 32 -8.612 -2.886 10.225 173 H LEU 33 H LEU 33 -9.507 -4.842 2.093 174 HA LEU 33 HA LEU 33 -11.300 -2.948 0.826 175 HB3 LEU 33 2HB LEU 33 -9.551 -2.679 -0.825 176 HG LEU 33 HG LEU 33 -7.961 -3.233 1.694 177 HD11 LEU 33 1HD1 LEU 33 -7.565 -1.646 -0.862 178 HD12 LEU 33 2HD1 LEU 33 -6.508 -2.873 -0.125 179 HD13 LEU 33 3HD1 LEU 33 -6.691 -1.258 0.597 180 HD21 LEU 33 3HD2 LEU 33 -9.389 -0.655 0.941 181 HD22 LEU 33 1HD2 LEU 33 -8.230 -0.863 2.269 182 HD23 LEU 33 2HD2 LEU 33 -9.790 -1.703 2.328 183 H LYS 34 H LYS 34 -11.766 -2.880 -1.461 184 HA LYS 34 HA LYS 34 -11.982 -5.502 -2.888 185 HB3 LYS 34 2HB LYS 34 -13.852 -4.309 -4.203 186 HG3 LYS 34 2HG LYS 34 -14.302 -5.056 -1.280 187 HD3 LYS 34 2HD LYS 34 -16.243 -3.862 -2.298 188 HE3 LYS 34 2HE LYS 34 -15.988 -4.727 -4.669 189 HZ1 LYS 34 3HZ LYS 34 -17.162 -7.187 -3.466 190 HZ2 LYS 34 1HZ LYS 34 -15.729 -7.110 -4.249 191 HZ3 LYS 34 2HZ LYS 34 -17.106 -6.872 -5.085 192 H GLY 35 H GLY 35 -11.725 -5.286 -5.230 193 HA2 GLY 35 2HA GLY 35 -10.950 -4.394 -7.210 194 HA3 GLY 35 3HA GLY 35 -10.479 -2.896 -6.373 195 H VAL 36 H VAL 36 -8.983 -5.267 -4.652 196 HA VAL 36 HA VAL 36 -6.425 -4.923 -6.167 197 HB VAL 36 HB VAL 36 -6.191 -3.669 -4.241 198 HG11 VAL 36 1HG1 VAL 36 -6.592 -4.372 -1.940 199 HG12 VAL 36 2HG1 VAL 36 -8.083 -4.401 -2.867 200 HG13 VAL 36 3HG1 VAL 36 -7.231 -5.927 -2.498 201 HG21 VAL 36 3HG2 VAL 36 -4.926 -6.311 -3.419 202 HG22 VAL 36 1HG2 VAL 36 -4.257 -5.209 -4.654 203 HG23 VAL 36 2HG2 VAL 36 -4.411 -4.671 -2.982 204 H ALA 37 H ALA 37 -5.183 -6.614 -6.611 205 HA ALA 37 HA ALA 37 -6.356 -9.333 -6.123 206 HB1 ALA 37 1HB ALA 37 -5.884 -9.702 -8.545 207 HB2 ALA 37 2HB ALA 37 -7.007 -8.364 -8.266 208 HB3 ALA 37 3HB ALA 37 -5.312 -8.020 -8.662 209 H GLU 38 H GLU 38 -3.427 -7.624 -5.732 210 HA GLU 38 HA GLU 38 -2.106 -9.959 -4.787 211 HB3 GLU 38 2HB GLU 38 -0.265 -8.969 -6.855 212 HG3 GLU 38 2HG GLU 38 -0.381 -11.436 -7.544 213 H ALA 39 H ALA 39 -0.384 -9.357 -3.386 214 HA ALA 39 HA ALA 39 0.729 -6.701 -3.323 215 HB1 ALA 39 1HB ALA 39 -1.561 -6.121 -2.574 216 HB2 ALA 39 2HB ALA 39 -1.430 -7.313 -1.259 217 HB3 ALA 39 3HB ALA 39 -0.372 -5.887 -1.286 218 H SER 40 H SER 40 2.345 -6.404 -1.791 219 HA SER 40 HA SER 40 2.956 -8.436 0.246 220 HB3 SER 40 2HB SER 40 5.258 -8.783 -0.630 221 HG SER 40 HG SER 40 3.473 -9.635 -2.637 222 H VAL 41 H VAL 41 4.556 -7.730 1.753 223 HA VAL 41 HA VAL 41 5.320 -4.824 1.614 224 HB VAL 41 HB VAL 41 5.352 -4.897 4.147 225 HG11 VAL 41 1HG1 VAL 41 3.578 -3.777 2.877 226 HG12 VAL 41 2HG1 VAL 41 2.649 -5.290 2.790 227 HG13 VAL 41 3HG1 VAL 41 2.939 -4.504 4.356 228 HG21 VAL 41 3HG2 VAL 41 3.679 -7.431 3.813 229 HG22 VAL 41 1HG2 VAL 41 5.299 -7.346 4.543 230 HG23 VAL 41 2HG2 VAL 41 3.929 -6.539 5.308 231 H THR 42 H THR 42 7.404 -4.317 1.770 232 HA THR 42 HA THR 42 9.412 -6.486 2.265 233 HB THR 42 HB THR 42 9.700 -3.904 0.700 234 HG1 THR 42 1HG THR 42 9.523 -6.628 -0.108 235 HG21 THR 42 3HG2 THR 42 11.779 -5.075 -0.136 236 HG22 THR 42 1HG2 THR 42 11.555 -6.301 1.126 237 HG23 THR 42 2HG2 THR 42 11.873 -4.608 1.565 238 H VAL 43 H VAL 43 9.556 -6.387 4.427 239 HA VAL 43 HA VAL 43 9.290 -4.032 6.000 240 HB VAL 43 HB VAL 43 10.251 -6.836 6.668 241 HG11 VAL 43 1HG1 VAL 43 11.149 -5.426 8.459 242 HG12 VAL 43 2HG1 VAL 43 9.588 -4.584 8.609 243 HG13 VAL 43 3HG1 VAL 43 9.738 -6.295 9.060 244 HG21 VAL 43 3HG2 VAL 43 7.981 -7.060 7.634 245 HG22 VAL 43 1HG2 VAL 43 7.612 -5.387 7.172 246 HG23 VAL 43 2HG2 VAL 43 7.880 -6.619 5.925 247 H ALA 44 H ALA 44 12.235 -5.623 4.795 248 HA ALA 44 HA ALA 44 14.212 -4.787 6.467 249 HB1 ALA 44 1HB ALA 44 14.281 -4.896 3.416 250 HB2 ALA 44 2HB ALA 44 15.700 -4.951 4.480 251 HB3 ALA 44 3HB ALA 44 14.513 -6.264 4.527 252 H THR 45 H THR 45 12.848 -2.726 3.925 253 HA THR 45 HA THR 45 14.017 -0.288 5.223 254 HB THR 45 HB THR 45 13.931 0.720 2.902 255 HG1 THR 45 1HG THR 45 14.036 -0.959 1.245 256 HG21 THR 45 3HG2 THR 45 16.014 -0.302 2.138 257 HG22 THR 45 1HG2 THR 45 15.782 -1.685 3.225 258 HG23 THR 45 2HG2 THR 45 16.056 -0.054 3.886 259 H GLY 46 H GLY 46 11.146 -1.947 4.458 260 HA2 GLY 46 2HA GLY 46 8.963 -1.332 4.906 261 HA3 GLY 46 3HA GLY 46 9.486 0.341 5.248 262 H ARG 47 H ARG 47 9.799 -1.719 2.324 263 HA ARG 47 HA ARG 47 8.383 0.414 0.746 264 HB3 ARG 47 2HB ARG 47 9.322 -0.759 -1.253 265 HG3 ARG 47 2HG ARG 47 11.527 0.198 0.613 266 HD3 ARG 47 2HD ARG 47 11.093 0.304 -2.404 267 HE ARG 47 HE ARG 47 13.126 1.618 -0.756 268 HH11 ARG 47 1HH1 ARG 47 12.649 0.089 -3.895 269 HH12 ARG 47 2HH1 ARG 47 13.904 1.030 -4.667 270 HH21 ARG 47 1HH2 ARG 47 14.717 2.821 -1.788 271 HH22 ARG 47 2HH2 ARG 47 14.976 2.656 -3.501 272 H LEU 48 H LEU 48 7.101 -0.560 -1.122 273 HA LEU 48 HA LEU 48 5.389 -2.848 -0.198 274 HB3 LEU 48 2HB LEU 48 3.715 -0.862 -1.353 275 HG LEU 48 HG LEU 48 4.202 -1.472 1.582 276 HD11 LEU 48 1HD1 LEU 48 2.149 0.266 0.168 277 HD12 LEU 48 2HD1 LEU 48 3.374 0.809 1.331 278 HD13 LEU 48 3HD1 LEU 48 2.035 -0.216 1.877 279 HD21 LEU 48 3HD2 LEU 48 2.009 -2.286 -0.398 280 HD22 LEU 48 1HD2 LEU 48 1.959 -2.595 1.352 281 HD23 LEU 48 2HD2 LEU 48 3.203 -3.355 0.360 282 H THR 49 H THR 49 4.132 -3.829 -1.731 283 HA THR 49 HA THR 49 4.439 -3.257 -4.678 284 HB THR 49 HB THR 49 4.483 -6.060 -3.499 285 HG1 THR 49 1HG THR 49 6.695 -6.084 -3.860 286 HG21 THR 49 3HG2 THR 49 5.438 -4.939 -6.178 287 HG22 THR 49 1HG2 THR 49 3.855 -5.700 -5.915 288 HG23 THR 49 2HG2 THR 49 5.331 -6.650 -5.708 289 H VAL 50 H VAL 50 2.492 -3.288 -5.642 290 HA VAL 50 HA VAL 50 0.199 -4.709 -4.458 291 HB VAL 50 HB VAL 50 0.384 -2.614 -3.116 292 HG11 VAL 50 1HG1 VAL 50 -0.337 -1.120 -5.668 293 HG12 VAL 50 2HG1 VAL 50 -0.176 -0.447 -4.037 294 HG13 VAL 50 3HG1 VAL 50 1.253 -1.080 -4.864 295 HG21 VAL 50 3HG2 VAL 50 -1.964 -1.961 -3.246 296 HG22 VAL 50 1HG2 VAL 50 -2.136 -2.772 -4.812 297 HG23 VAL 50 2HG2 VAL 50 -1.786 -3.723 -3.355 298 H THR 51 H THR 51 -1.408 -5.155 -5.870 299 HA THR 51 HA THR 51 -1.291 -4.108 -8.675 300 HB THR 51 HB THR 51 -1.690 -6.991 -7.753 301 HG1 THR 51 1HG THR 51 0.343 -7.162 -9.024 302 HG21 THR 51 3HG2 THR 51 -2.887 -6.412 -9.874 303 HG22 THR 51 1HG2 THR 51 -1.574 -7.566 -10.124 304 HG23 THR 51 2HG2 THR 51 -1.356 -5.862 -10.572 305 H TYR 52 H TYR 52 -3.173 -3.153 -9.135 306 HA TYR 52 HA TYR 52 -5.755 -4.296 -8.226 307 HB3 TYR 52 2HB TYR 52 -5.112 -2.706 -6.488 308 HD1 TYR 52 2HD TYR 52 -6.250 -0.264 -9.108 309 HD2 TYR 52 1HD TYR 52 -3.111 -1.396 -6.382 310 HE1 TYR 52 2HE TYR 52 -5.116 1.902 -9.525 311 HE2 TYR 52 1HE TYR 52 -1.999 0.792 -6.756 312 HH TYR 52 HH TYR 52 -3.399 3.317 -8.902 313 H ASP 53 H ASP 53 -7.657 -3.255 -9.299 314 HA ASP 53 HA ASP 53 -7.101 -2.725 -12.143 315 HB3 ASP 53 2HB ASP 53 -9.603 -3.423 -10.626 316 HA PRO 54 HA PRO 54 -7.579 1.713 -11.405 317 HB3 PRO 54 2HB PRO 54 -6.796 2.751 -13.373 318 HG3 PRO 54 2HG PRO 54 -5.175 1.100 -12.759 319 HD3 PRO 54 2HD PRO 54 -5.765 -1.151 -12.599 320 H LYS 55 H LYS 55 -10.076 -0.302 -12.311 321 HA LYS 55 HA LYS 55 -11.970 1.989 -12.766 322 HB3 LYS 55 2HB LYS 55 -13.348 0.137 -14.019 323 HG3 LYS 55 2HG LYS 55 -10.971 1.442 -15.398 324 HD3 LYS 55 2HD LYS 55 -13.746 0.567 -16.344 325 HE3 LYS 55 2HE LYS 55 -11.552 2.154 -17.747 326 HZ1 LYS 55 3HZ LYS 55 -13.064 2.112 -19.613 327 HZ2 LYS 55 1HZ LYS 55 -14.110 1.110 -18.818 328 HZ3 LYS 55 2HZ LYS 55 -12.587 0.598 -19.238 329 H GLN 56 H GLN 56 -11.450 -1.160 -11.191 330 HA GLN 56 HA GLN 56 -13.792 -0.799 -9.458 331 HB3 GLN 56 2HB GLN 56 -12.484 -2.188 -7.839 332 HG3 GLN 56 2HG GLN 56 -12.360 -4.280 -9.066 333 HE21 GLN 56 1HE2 GLN 56 -14.297 -3.963 -11.576 334 HE22 GLN 56 2HE2 GLN 56 -15.856 -3.847 -10.755 335 H VAL 57 H VAL 57 -10.364 0.357 -9.391 336 HA VAL 57 HA VAL 57 -10.987 2.286 -7.233 337 HB VAL 57 HB VAL 57 -9.322 1.283 -5.717 338 HG11 VAL 57 1HG1 VAL 57 -11.540 -0.715 -6.239 339 HG12 VAL 57 2HG1 VAL 57 -10.676 -0.415 -4.742 340 HG13 VAL 57 3HG1 VAL 57 -11.735 0.832 -5.380 341 HG21 VAL 57 3HG2 VAL 57 -8.012 -0.075 -7.330 342 HG22 VAL 57 1HG2 VAL 57 -8.614 -1.088 -6.008 343 HG23 VAL 57 2HG2 VAL 57 -9.402 -1.143 -7.588 344 H SER 58 H SER 58 -8.342 2.808 -6.341 345 HA SER 58 HA SER 58 -6.587 3.343 -8.586 346 HB3 SER 58 2HB SER 58 -8.061 5.704 -7.374 347 HG SER 58 HG SER 58 -6.937 6.875 -8.891 348 H GLU 59 H GLU 59 -5.379 5.647 -7.215 349 HA GLU 59 HA GLU 59 -3.601 4.529 -5.354 350 HB3 GLU 59 2HB GLU 59 -2.777 6.477 -5.973 351 HG3 GLU 59 2HG GLU 59 -4.597 7.372 -7.344 352 H ILE 60 H ILE 60 -6.818 5.856 -4.675 353 HA ILE 60 HA ILE 60 -6.923 5.877 -1.883 354 HB ILE 60 HB ILE 60 -8.952 5.014 -3.944 355 HG13 ILE 60 2HG1 ILE 60 -9.962 7.144 -3.557 356 HG21 ILE 60 1HG2 ILE 60 -10.702 5.215 -2.167 357 HG22 ILE 60 2HG2 ILE 60 -9.646 3.815 -1.978 358 HG23 ILE 60 3HG2 ILE 60 -9.406 5.231 -0.950 359 HD11 ILE 60 3HD1 ILE 60 -9.635 7.522 -1.130 360 HD12 ILE 60 1HD1 ILE 60 -7.893 7.739 -1.407 361 HD13 ILE 60 2HD1 ILE 60 -9.056 8.885 -2.090 362 H THR 61 H THR 61 -6.754 2.975 -3.850 363 HA THR 61 HA THR 61 -7.323 0.901 -2.031 364 HB THR 61 HB THR 61 -5.157 1.078 -4.183 365 HG1 THR 61 1HG THR 61 -6.802 1.429 -5.280 366 HG21 THR 61 3HG2 THR 61 -4.833 -1.048 -3.045 367 HG22 THR 61 1HG2 THR 61 -5.664 -1.356 -4.569 368 HG23 THR 61 2HG2 THR 61 -6.582 -1.375 -3.049 369 H ILE 62 H ILE 62 -4.583 2.993 -2.092 370 HA ILE 62 HA ILE 62 -3.674 1.625 0.407 371 HB ILE 62 HB ILE 62 -2.536 0.744 -1.732 372 HG13 ILE 62 2HG1 ILE 62 -1.949 0.354 0.729 373 HG21 ILE 62 1HG2 ILE 62 -0.809 3.216 -1.377 374 HG22 ILE 62 2HG2 ILE 62 -0.576 1.882 -2.530 375 HG23 ILE 62 3HG2 ILE 62 -1.969 2.956 -2.699 376 HD11 ILE 62 3HD1 ILE 62 -1.077 -1.021 -1.170 377 HD12 ILE 62 1HD1 ILE 62 0.309 0.080 -1.287 378 HD13 ILE 62 2HD1 ILE 62 0.039 -0.872 0.193 379 H GLN 63 H GLN 63 -4.003 4.607 -1.250 380 HA GLN 63 HA GLN 63 -2.619 6.373 0.432 381 HB3 GLN 63 2HB GLN 63 -5.470 6.698 -0.618 382 HG3 GLN 63 2HG GLN 63 -4.454 9.048 -1.134 383 HE21 GLN 63 1HE2 GLN 63 -6.772 9.272 -0.614 384 HE22 GLN 63 2HE2 GLN 63 -7.297 9.432 1.045 385 H GLU 64 H GLU 64 -6.000 5.130 1.005 386 HA GLU 64 HA GLU 64 -6.126 6.490 3.519 387 HB3 GLU 64 2HB GLU 64 -8.242 5.491 3.842 388 HG3 GLU 64 2HG GLU 64 -8.005 5.565 0.811 389 H ARG 65 H ARG 65 -5.276 3.100 2.705 390 HA ARG 65 HA ARG 65 -5.069 2.206 5.428 391 HB3 ARG 65 2HB ARG 65 -3.401 0.511 4.329 392 HG3 ARG 65 2HG ARG 65 -6.249 0.610 3.271 393 HD3 ARG 65 2HD ARG 65 -6.031 -1.840 3.321 394 HE ARG 65 HE ARG 65 -5.095 -0.556 1.280 395 HH11 ARG 65 1HH1 ARG 65 -3.088 -2.949 3.060 396 HH12 ARG 65 2HH1 ARG 65 -2.240 -3.338 1.577 397 HH21 ARG 65 1HH2 ARG 65 -4.033 -1.274 -0.485 398 HH22 ARG 65 2HH2 ARG 65 -2.757 -2.496 -0.320 399 H ILE 66 H ILE 66 -2.778 4.022 3.432 400 HA ILE 66 HA ILE 66 -0.664 3.663 5.509 401 HB ILE 66 HB ILE 66 -0.788 5.178 2.872 402 HG13 ILE 66 2HG1 ILE 66 -0.634 2.591 2.907 403 HG21 ILE 66 1HG2 ILE 66 1.589 4.811 4.734 404 HG22 ILE 66 2HG2 ILE 66 1.606 5.656 3.203 405 HG23 ILE 66 3HG2 ILE 66 0.693 6.347 4.536 406 HD11 ILE 66 3HD1 ILE 66 1.819 3.965 1.751 407 HD12 ILE 66 1HD1 ILE 66 1.192 2.374 1.340 408 HD13 ILE 66 2HD1 ILE 66 0.219 3.802 0.955 409 H ALA 67 H ALA 67 -2.726 6.332 4.268 410 HA ALA 67 HA ALA 67 -1.657 8.287 6.045 411 HB1 ALA 67 1HB ALA 67 -4.328 8.166 4.563 412 HB2 ALA 67 2HB ALA 67 -3.601 9.621 5.270 413 HB3 ALA 67 3HB ALA 67 -2.797 8.797 3.922 414 H ALA 68 H ALA 68 -4.693 6.298 6.357 415 HA ALA 68 HA ALA 68 -5.362 7.670 8.841 416 HB1 ALA 68 1HB ALA 68 -7.038 6.860 7.158 417 HB2 ALA 68 2HB ALA 68 -6.638 5.189 7.634 418 HB3 ALA 68 3HB ALA 68 -7.343 6.306 8.815 419 H LEU 69 H LEU 69 -3.662 4.623 8.121 420 HA LEU 69 HA LEU 69 -4.043 3.676 10.873 421 HB3 LEU 69 2HB LEU 69 -2.877 1.683 10.170 422 HG LEU 69 HG LEU 69 -4.668 2.485 7.838 423 HD11 LEU 69 1HD1 LEU 69 -5.054 0.088 7.620 424 HD12 LEU 69 2HD1 LEU 69 -4.076 -0.245 9.063 425 HD13 LEU 69 3HD1 LEU 69 -3.308 0.380 7.592 426 HD21 LEU 69 3HD2 LEU 69 -5.957 2.885 9.876 427 HD22 LEU 69 1HD2 LEU 69 -5.459 1.305 10.523 428 HD23 LEU 69 2HD2 LEU 69 -6.522 1.402 9.103 429 H GLY 70 H GLY 70 -1.813 5.839 9.603 430 HA2 GLY 70 2HA GLY 70 -0.686 6.951 11.516 431 HA3 GLY 70 3HA GLY 70 -0.001 5.388 11.965 432 H TYR 71 H TYR 71 -0.097 6.351 8.562 433 HA TYR 71 HA TYR 71 2.873 6.787 8.553 434 HB3 TYR 71 2HB TYR 71 2.998 5.058 6.832 435 HD1 TYR 71 2HD TYR 71 4.169 4.351 8.991 436 HD2 TYR 71 1HD TYR 71 0.024 3.521 8.236 437 HE1 TYR 71 2HE TYR 71 4.183 2.631 10.804 438 HE2 TYR 71 1HE TYR 71 0.018 1.831 10.057 439 HH TYR 71 HH TYR 71 1.201 0.966 11.824 440 H THR 72 H THR 72 3.518 7.168 6.034 441 HA THR 72 HA THR 72 1.534 8.813 4.553 442 HB THR 72 HB THR 72 3.306 10.596 4.209 443 HG1 THR 72 1HG THR 72 4.350 9.701 6.691 444 HG21 THR 72 3HG2 THR 72 1.315 10.980 5.647 445 HG22 THR 72 1HG2 THR 72 2.750 11.882 6.164 446 HG23 THR 72 2HG2 THR 72 2.251 10.435 7.055 447 H LEU 73 H LEU 73 1.763 8.574 2.308 448 HA LEU 73 HA LEU 73 3.717 6.512 1.529 449 HB3 LEU 73 2HB LEU 73 1.298 6.147 1.131 450 HG LEU 73 HG LEU 73 1.541 8.269 -1.041 451 HD11 LEU 73 1HD1 LEU 73 -0.496 6.028 -0.650 452 HD12 LEU 73 2HD1 LEU 73 0.673 6.184 -1.980 453 HD13 LEU 73 3HD1 LEU 73 -0.642 7.354 -1.825 454 HD21 LEU 73 3HD2 LEU 73 -0.489 7.870 1.216 455 HD22 LEU 73 1HD2 LEU 73 -0.660 9.036 -0.115 456 HD23 LEU 73 2HD2 LEU 73 0.649 9.226 1.043 457 H ALA 74 H ALA 74 4.819 6.379 -0.488 458 HA ALA 74 HA ALA 74 5.009 8.821 -2.161 459 HB1 ALA 74 1HB ALA 74 6.910 8.952 -0.632 460 HB2 ALA 74 2HB ALA 74 7.380 7.287 -1.025 461 HB3 ALA 74 3HB ALA 74 7.475 8.553 -2.267 462 H GLU 75 H GLU 75 3.814 7.934 -3.781 463 HA GLU 75 HA GLU 75 5.147 5.792 -5.373 464 HB3 GLU 75 2HB GLU 75 2.116 6.044 -5.275 465 HG3 GLU 75 2HG GLU 75 2.390 3.570 -5.866 466 HA PRO 76 HA PRO 76 4.778 9.977 -7.350 467 HB3 PRO 76 2HB PRO 76 6.907 10.564 -6.758 468 HG3 PRO 76 2HG PRO 76 8.589 8.902 -6.418 469 HD3 PRO 76 2HD PRO 76 6.714 8.344 -5.085 Start of MODEL 3 1 H2 PRO 6 2H PRO 6 -6.885 -2.798 -17.017 2 HA PRO 6 HA PRO 6 -8.004 -5.278 -15.932 3 HB3 PRO 6 2HB PRO 6 -6.608 -6.490 -17.390 4 HG3 PRO 6 2HG PRO 6 -7.929 -5.704 -19.165 5 HD3 PRO 6 2HD PRO 6 -9.261 -4.308 -17.897 6 H LEU 7 H LEU 7 -6.406 -6.415 -14.506 7 HA LEU 7 HA LEU 7 -5.286 -4.528 -12.667 8 HB3 LEU 7 2HB LEU 7 -6.481 -6.514 -11.968 9 HG LEU 7 HG LEU 7 -5.130 -8.069 -13.751 10 HD11 LEU 7 1HD1 LEU 7 -3.705 -8.623 -11.106 11 HD12 LEU 7 2HD1 LEU 7 -2.930 -7.812 -12.478 12 HD13 LEU 7 3HD1 LEU 7 -3.492 -9.483 -12.639 13 HD21 LEU 7 3HD2 LEU 7 -7.127 -8.702 -12.477 14 HD22 LEU 7 1HD2 LEU 7 -6.135 -8.927 -11.019 15 HD23 LEU 7 2HD2 LEU 7 -5.923 -10.003 -12.425 16 H LYS 8 H LYS 8 -3.335 -4.063 -12.133 17 HA LYS 8 HA LYS 8 -0.957 -5.054 -13.586 18 HB3 LYS 8 2HB LYS 8 -1.959 -3.360 -15.086 19 HG3 LYS 8 2HG LYS 8 -1.551 -1.453 -12.753 20 HD3 LYS 8 2HD LYS 8 -2.481 -0.909 -15.597 21 HE3 LYS 8 2HE LYS 8 -3.766 0.384 -13.929 22 HZ1 LYS 8 3HZ LYS 8 -2.594 2.026 -12.593 23 HZ2 LYS 8 1HZ LYS 8 -1.131 1.420 -13.038 24 HZ3 LYS 8 2HZ LYS 8 -2.183 0.514 -12.142 25 H THR 9 H THR 9 1.021 -4.298 -12.683 26 HA THR 9 HA THR 9 0.764 -4.008 -9.733 27 HB THR 9 HB THR 9 2.968 -5.148 -11.490 28 HG1 THR 9 1HG THR 9 1.067 -6.375 -9.768 29 HG21 THR 9 3HG2 THR 9 3.942 -4.481 -9.335 30 HG22 THR 9 1HG2 THR 9 3.745 -6.226 -9.387 31 HG23 THR 9 2HG2 THR 9 2.589 -5.243 -8.459 32 H GLN 10 H GLN 10 2.223 -2.752 -8.491 33 HA GLN 10 HA GLN 10 4.077 -0.911 -9.705 34 HB3 GLN 10 2HB GLN 10 2.211 0.420 -10.243 35 HG3 GLN 10 2HG GLN 10 1.219 0.180 -7.369 36 HE21 GLN 10 1HE2 GLN 10 0.159 1.162 -10.728 37 HE22 GLN 10 2HE2 GLN 10 -0.649 2.615 -10.125 38 H GLN 11 H GLN 11 5.432 0.053 -8.219 39 HA GLN 11 HA GLN 11 5.212 -0.873 -5.407 40 HB3 GLN 11 2HB GLN 11 7.698 -0.311 -7.077 41 HG3 GLN 11 2HG GLN 11 7.478 -1.783 -4.413 42 HE21 GLN 11 1HE2 GLN 11 9.981 0.402 -5.806 43 HE22 GLN 11 2HE2 GLN 11 11.251 -0.829 -5.746 44 H MET 12 H MET 12 5.547 0.583 -3.760 45 HA MET 12 HA MET 12 6.209 3.411 -4.388 46 HB3 MET 12 2HB MET 12 3.853 3.514 -4.249 47 HG3 MET 12 2HG MET 12 2.705 2.814 -2.032 48 HE1 MET 12 3HE MET 12 0.883 1.454 -5.184 49 HE2 MET 12 1HE MET 12 1.135 2.830 -4.102 50 HE3 MET 12 2HE MET 12 2.299 2.475 -5.400 51 H GLN 13 H GLN 13 6.902 4.638 -2.597 52 HA GLN 13 HA GLN 13 8.458 3.053 -0.627 53 HB3 GLN 13 2HB GLN 13 8.601 5.946 -1.611 54 HG3 GLN 13 2HG GLN 13 10.555 4.508 0.232 55 HE21 GLN 13 1HE2 GLN 13 11.826 6.476 1.395 56 HE22 GLN 13 2HE2 GLN 13 12.610 7.545 0.229 57 H VAL 14 H VAL 14 7.829 3.079 1.547 58 HA VAL 14 HA VAL 14 5.641 4.964 2.328 59 HB VAL 14 HB VAL 14 4.480 3.014 2.222 60 HG11 VAL 14 1HG1 VAL 14 6.288 1.427 1.709 61 HG12 VAL 14 2HG1 VAL 14 6.709 1.377 3.443 62 HG13 VAL 14 3HG1 VAL 14 5.128 0.803 2.854 63 HG21 VAL 14 3HG2 VAL 14 3.933 2.253 4.445 64 HG22 VAL 14 1HG2 VAL 14 5.450 2.903 5.094 65 HG23 VAL 14 2HG2 VAL 14 4.202 3.995 4.466 66 H GLY 15 H GLY 15 5.945 6.145 4.001 67 HA2 GLY 15 2HA GLY 15 8.538 6.082 5.424 68 HA3 GLY 15 3HA GLY 15 7.295 7.351 5.473 69 H GLY 16 H GLY 16 8.670 4.810 7.113 70 HA2 GLY 16 2HA GLY 16 8.555 4.596 9.399 71 HA3 GLY 16 3HA GLY 16 6.972 5.400 9.427 72 H MET 17 H MET 17 6.380 2.893 7.256 73 HA MET 17 HA MET 17 5.056 1.413 9.350 74 HB3 MET 17 2HB MET 17 4.294 1.562 6.923 75 HG3 MET 17 2HG MET 17 6.314 -0.722 6.672 76 HE1 MET 17 3HE MET 17 6.431 -2.415 4.772 77 HE2 MET 17 1HE MET 17 5.491 -2.229 3.274 78 HE3 MET 17 2HE MET 17 6.656 -0.986 3.748 79 H ARG 18 H ARG 18 8.303 1.195 8.326 80 HA ARG 18 HA ARG 18 8.824 -1.525 8.399 81 HB3 ARG 18 2HB ARG 18 10.271 0.100 7.343 82 HG3 ARG 18 2HG ARG 18 11.007 0.947 10.184 83 HD3 ARG 18 2HD ARG 18 12.281 1.725 7.528 84 HE ARG 18 HE ARG 18 11.963 3.334 9.710 85 HH11 ARG 18 1HH1 ARG 18 15.003 1.806 8.566 86 HH12 ARG 18 2HH1 ARG 18 15.930 3.082 9.349 87 HH21 ARG 18 1HH2 ARG 18 13.312 4.928 10.466 88 HH22 ARG 18 2HH2 ARG 18 15.052 4.680 10.362 89 H CYS 19 H CYS 19 7.518 -0.599 11.054 90 HA CYS 19 HA CYS 19 9.343 -1.992 12.959 91 HB3 CYS 19 2HB CYS 19 6.629 -0.668 13.331 92 HG CYS 19 HG CYS 19 7.072 -0.976 16.016 93 H ALA 20 H ALA 20 9.009 -4.088 13.542 94 HA ALA 20 HA ALA 20 8.033 -5.825 11.589 95 HB1 ALA 20 1HB ALA 20 9.896 -6.253 13.147 96 HB2 ALA 20 2HB ALA 20 8.748 -6.398 14.500 97 HB3 ALA 20 3HB ALA 20 8.728 -7.576 13.167 98 H ALA 21 H ALA 21 5.961 -4.303 13.751 99 HA ALA 21 HA ALA 21 3.839 -6.389 13.364 100 HB1 ALA 21 1HB ALA 21 4.129 -4.341 15.612 101 HB2 ALA 21 2HB ALA 21 2.842 -5.560 15.454 102 HB3 ALA 21 3HB ALA 21 4.513 -6.073 15.746 103 H CYS 22 H CYS 22 4.825 -3.629 11.950 104 HA CYS 22 HA CYS 22 2.178 -2.248 12.005 105 HB3 CYS 22 2HB CYS 22 3.544 -0.176 11.658 106 HG CYS 22 HG CYS 22 2.676 -0.766 14.037 107 H ALA 23 H ALA 23 4.863 -2.932 9.638 108 HA ALA 23 HA ALA 23 3.411 -2.316 7.272 109 HB1 ALA 23 1HB ALA 23 5.302 -4.623 7.846 110 HB2 ALA 23 2HB ALA 23 4.887 -3.931 6.269 111 HB3 ALA 23 3HB ALA 23 5.787 -2.958 7.434 112 H SER 24 H SER 24 3.192 -4.999 9.562 113 HA SER 24 HA SER 24 1.400 -6.760 8.219 114 HB3 SER 24 2HB SER 24 0.861 -7.524 10.545 115 HG SER 24 HG SER 24 2.660 -8.377 9.695 116 H SER 25 H SER 25 0.657 -3.665 9.870 117 HA SER 25 HA SER 25 -2.224 -4.136 9.975 118 HB3 SER 25 2HB SER 25 -2.379 -1.806 10.526 119 HG SER 25 HG SER 25 -0.303 -1.747 12.019 120 H ILE 26 H ILE 26 0.081 -2.790 7.669 121 HA ILE 26 HA ILE 26 -1.901 -1.693 5.824 122 HB ILE 26 HB ILE 26 1.013 -2.313 5.195 123 HG13 ILE 26 2HG1 ILE 26 1.677 -0.076 5.940 124 HG21 ILE 26 1HG2 ILE 26 -0.908 -0.161 4.225 125 HG22 ILE 26 2HG2 ILE 26 0.784 -0.366 3.718 126 HG23 ILE 26 3HG2 ILE 26 -0.416 -1.614 3.334 127 HD11 ILE 26 3HD1 ILE 26 0.407 1.100 7.688 128 HD12 ILE 26 1HD1 ILE 26 -0.456 1.128 6.145 129 HD13 ILE 26 2HD1 ILE 26 -0.980 0.028 7.440 130 H GLU 27 H GLU 27 0.099 -4.628 5.990 131 HA GLU 27 HA GLU 27 -0.809 -5.692 3.478 132 HB3 GLU 27 2HB GLU 27 0.351 -7.338 5.770 133 HG3 GLU 27 2HG GLU 27 0.417 -7.462 2.726 134 H ARG 28 H ARG 28 -1.801 -6.442 6.929 135 HA ARG 28 HA ARG 28 -3.805 -8.324 6.212 136 HB3 ARG 28 2HB ARG 28 -3.587 -6.487 8.615 137 HG3 ARG 28 2HG ARG 28 -5.865 -7.408 8.623 138 HD3 ARG 28 2HD ARG 28 -4.452 -10.034 8.140 139 HE ARG 28 HE ARG 28 -5.824 -9.886 10.383 140 HH11 ARG 28 1HH1 ARG 28 -7.084 -11.432 7.382 141 HH12 ARG 28 2HH1 ARG 28 -8.075 -12.480 8.342 142 HH21 ARG 28 1HH2 ARG 28 -6.962 -11.414 11.433 143 HH22 ARG 28 2HH2 ARG 28 -7.861 -12.607 10.557 144 H ALA 29 H ALA 29 -4.034 -4.739 6.376 145 HA ALA 29 HA ALA 29 -6.887 -4.642 6.170 146 HB1 ALA 29 1HB ALA 29 -5.724 -2.685 6.886 147 HB2 ALA 29 2HB ALA 29 -4.719 -2.649 5.427 148 HB3 ALA 29 3HB ALA 29 -6.471 -2.309 5.324 149 H LEU 30 H LEU 30 -4.490 -5.217 3.609 150 HA LEU 30 HA LEU 30 -5.821 -4.583 1.269 151 HB3 LEU 30 2HB LEU 30 -4.345 -7.158 2.031 152 HG LEU 30 HG LEU 30 -3.557 -7.298 -0.274 153 HD11 LEU 30 1HD1 LEU 30 -5.294 -8.872 0.576 154 HD12 LEU 30 2HD1 LEU 30 -5.162 -8.688 -1.178 155 HD13 LEU 30 3HD1 LEU 30 -6.494 -7.913 -0.330 156 HD21 LEU 30 3HD2 LEU 30 -4.698 -6.289 -2.115 157 HD22 LEU 30 1HD2 LEU 30 -4.301 -4.990 -0.972 158 HD23 LEU 30 2HD2 LEU 30 -5.957 -5.616 -1.056 159 H GLU 31 H GLU 31 -6.423 -7.614 3.146 160 HA GLU 31 HA GLU 31 -8.273 -8.486 1.160 161 HB3 GLU 31 2HB GLU 31 -7.119 -10.191 2.407 162 HG3 GLU 31 2HG GLU 31 -8.092 -8.738 4.870 163 H ARG 32 H ARG 32 -8.567 -6.270 3.725 164 HA ARG 32 HA ARG 32 -11.441 -6.673 4.180 165 HB3 ARG 32 2HB ARG 32 -11.188 -5.104 6.015 166 HG3 ARG 32 2HG ARG 32 -9.601 -6.246 7.472 167 HD3 ARG 32 2HD ARG 32 -10.820 -8.280 5.548 168 HE ARG 32 HE ARG 32 -9.840 -9.760 6.968 169 HH11 ARG 32 1HH1 ARG 32 -10.939 -7.051 9.036 170 HH12 ARG 32 2HH1 ARG 32 -10.736 -8.031 10.484 171 HH21 ARG 32 1HH2 ARG 32 -9.933 -10.960 8.921 172 HH22 ARG 32 2HH2 ARG 32 -10.296 -10.105 10.407 173 H LEU 33 H LEU 33 -9.340 -4.652 2.288 174 HA LEU 33 HA LEU 33 -11.351 -2.730 1.404 175 HB3 LEU 33 2HB LEU 33 -9.887 -2.377 -0.476 176 HG LEU 33 HG LEU 33 -7.992 -3.179 1.763 177 HD11 LEU 33 1HD1 LEU 33 -7.583 -1.455 -0.686 178 HD12 LEU 33 2HD1 LEU 33 -6.838 -3.039 -0.345 179 HD13 LEU 33 3HD1 LEU 33 -6.441 -1.638 0.652 180 HD21 LEU 33 3HD2 LEU 33 -7.894 -0.803 2.331 181 HD22 LEU 33 1HD2 LEU 33 -9.536 -1.433 2.564 182 HD23 LEU 33 2HD2 LEU 33 -9.153 -0.440 1.131 183 H LYS 34 H LYS 34 -12.032 -2.910 -1.092 184 HA LYS 34 HA LYS 34 -12.438 -5.692 -1.975 185 HB3 LYS 34 2HB LYS 34 -14.470 -5.107 -0.699 186 HG3 LYS 34 2HG LYS 34 -15.177 -3.278 -3.036 187 HD3 LYS 34 2HD LYS 34 -16.603 -3.884 -0.410 188 HE3 LYS 34 2HE LYS 34 -17.110 -1.637 -1.492 189 HZ1 LYS 34 3HZ LYS 34 -18.618 -1.821 -3.443 190 HZ2 LYS 34 1HZ LYS 34 -18.272 -3.413 -3.577 191 HZ3 LYS 34 2HZ LYS 34 -17.099 -2.299 -3.821 192 H GLY 35 H GLY 35 -12.329 -6.058 -4.097 193 HA2 GLY 35 2HA GLY 35 -12.284 -5.599 -6.410 194 HA3 GLY 35 3HA GLY 35 -12.222 -3.851 -6.090 195 H VAL 36 H VAL 36 -9.952 -6.086 -4.499 196 HA VAL 36 HA VAL 36 -7.721 -4.673 -5.942 197 HB VAL 36 HB VAL 36 -7.559 -5.761 -3.110 198 HG11 VAL 36 1HG1 VAL 36 -5.769 -4.019 -2.915 199 HG12 VAL 36 2HG1 VAL 36 -5.407 -5.233 -4.143 200 HG13 VAL 36 3HG1 VAL 36 -5.990 -3.623 -4.627 201 HG21 VAL 36 3HG2 VAL 36 -7.937 -3.435 -2.290 202 HG22 VAL 36 1HG2 VAL 36 -8.517 -2.987 -3.903 203 HG23 VAL 36 2HG2 VAL 36 -9.383 -4.203 -2.925 204 H ALA 37 H ALA 37 -5.803 -5.925 -6.471 205 HA ALA 37 HA ALA 37 -6.435 -8.821 -6.691 206 HB1 ALA 37 1HB ALA 37 -6.071 -7.455 -8.740 207 HB2 ALA 37 2HB ALA 37 -4.394 -7.198 -8.226 208 HB3 ALA 37 3HB ALA 37 -4.967 -8.834 -8.583 209 H GLU 38 H GLU 38 -3.690 -6.760 -5.405 210 HA GLU 38 HA GLU 38 -2.734 -9.026 -3.864 211 HB3 GLU 38 2HB GLU 38 -0.448 -8.992 -4.641 212 HG3 GLU 38 2HG GLU 38 -2.101 -9.382 -7.160 213 H ALA 39 H ALA 39 -1.255 -8.266 -2.191 214 HA ALA 39 HA ALA 39 0.108 -5.766 -2.606 215 HB1 ALA 39 1HB ALA 39 -1.769 -5.804 -0.228 216 HB2 ALA 39 2HB ALA 39 -0.753 -4.455 -0.808 217 HB3 ALA 39 3HB ALA 39 -2.143 -5.013 -1.778 218 H SER 40 H SER 40 2.095 -5.986 -1.845 219 HA SER 40 HA SER 40 2.675 -8.003 0.299 220 HB3 SER 40 2HB SER 40 4.545 -8.723 -1.047 221 HG SER 40 HG SER 40 2.557 -9.632 -1.752 222 H VAL 41 H VAL 41 3.757 -7.138 2.038 223 HA VAL 41 HA VAL 41 5.119 -4.509 1.748 224 HB VAL 41 HB VAL 41 5.334 -4.458 4.165 225 HG11 VAL 41 1HG1 VAL 41 2.540 -5.161 3.186 226 HG12 VAL 41 2HG1 VAL 41 2.931 -4.353 4.717 227 HG13 VAL 41 3HG1 VAL 41 3.324 -3.569 3.201 228 HG21 VAL 41 3HG2 VAL 41 4.202 -6.188 5.585 229 HG22 VAL 41 1HG2 VAL 41 4.173 -7.250 4.168 230 HG23 VAL 41 2HG2 VAL 41 5.710 -6.703 4.826 231 H THR 42 H THR 42 7.225 -4.011 2.214 232 HA THR 42 HA THR 42 9.117 -6.223 2.927 233 HB THR 42 HB THR 42 9.569 -4.031 0.866 234 HG1 THR 42 1HG THR 42 8.519 -5.706 -0.071 235 HG21 THR 42 3HG2 THR 42 11.751 -5.080 0.522 236 HG22 THR 42 1HG2 THR 42 11.448 -6.241 1.845 237 HG23 THR 42 2HG2 THR 42 11.645 -4.505 2.181 238 H VAL 43 H VAL 43 9.203 -5.729 5.052 239 HA VAL 43 HA VAL 43 9.404 -3.101 6.170 240 HB VAL 43 HB VAL 43 9.941 -5.891 7.213 241 HG11 VAL 43 1HG1 VAL 43 11.548 -4.640 8.510 242 HG12 VAL 43 2HG1 VAL 43 10.414 -3.293 8.696 243 HG13 VAL 43 3HG1 VAL 43 10.113 -4.829 9.527 244 HG21 VAL 43 3HG2 VAL 43 7.603 -5.057 6.876 245 HG22 VAL 43 1HG2 VAL 43 7.964 -5.368 8.584 246 HG23 VAL 43 2HG2 VAL 43 7.958 -3.701 7.965 247 H ALA 44 H ALA 44 11.948 -5.420 5.102 248 HA ALA 44 HA ALA 44 14.199 -4.071 6.173 249 HB1 ALA 44 1HB ALA 44 14.161 -6.401 5.325 250 HB2 ALA 44 2HB ALA 44 14.014 -5.776 3.661 251 HB3 ALA 44 3HB ALA 44 15.472 -5.451 4.615 252 H THR 45 H THR 45 12.198 -2.880 3.675 253 HA THR 45 HA THR 45 14.272 -0.840 2.947 254 HB THR 45 HB THR 45 13.350 -0.758 0.688 255 HG1 THR 45 1HG THR 45 11.940 -2.522 0.076 256 HG21 THR 45 3HG2 THR 45 14.164 -3.610 1.428 257 HG22 THR 45 1HG2 THR 45 15.271 -2.266 1.070 258 HG23 THR 45 2HG2 THR 45 14.197 -2.900 -0.188 259 H GLY 46 H GLY 46 10.936 -1.499 3.817 260 HA2 GLY 46 2HA GLY 46 9.275 -0.034 4.527 261 HA3 GLY 46 3HA GLY 46 10.356 1.354 4.263 262 H ARG 47 H ARG 47 9.172 -1.304 2.159 263 HA ARG 47 HA ARG 47 7.950 0.656 0.294 264 HB3 ARG 47 2HB ARG 47 8.962 -0.432 -1.634 265 HG3 ARG 47 2HG ARG 47 11.246 0.254 0.251 266 HD3 ARG 47 2HD ARG 47 11.963 1.548 -1.867 267 HE ARG 47 HE ARG 47 12.025 -1.418 -2.289 268 HH11 ARG 47 1HH1 ARG 47 13.808 1.379 -0.987 269 HH12 ARG 47 2HH1 ARG 47 15.346 0.694 -1.484 270 HH21 ARG 47 1HH2 ARG 47 14.080 -2.184 -2.868 271 HH22 ARG 47 2HH2 ARG 47 15.493 -1.274 -2.409 272 H LEU 48 H LEU 48 6.560 -0.380 -1.278 273 HA LEU 48 HA LEU 48 5.414 -2.986 -0.442 274 HB3 LEU 48 2HB LEU 48 3.477 -0.718 -0.908 275 HG LEU 48 HG LEU 48 3.719 -3.033 1.049 276 HD11 LEU 48 1HD1 LEU 48 1.568 -2.299 2.009 277 HD12 LEU 48 2HD1 LEU 48 1.628 -0.835 1.004 278 HD13 LEU 48 3HD1 LEU 48 2.855 -1.105 2.264 279 HD21 LEU 48 3HD2 LEU 48 1.468 -3.694 0.121 280 HD22 LEU 48 1HD2 LEU 48 2.739 -3.742 -1.082 281 HD23 LEU 48 2HD2 LEU 48 1.606 -2.381 -1.072 282 H THR 49 H THR 49 4.412 -4.061 -2.054 283 HA THR 49 HA THR 49 4.312 -2.864 -4.815 284 HB THR 49 HB THR 49 4.852 -5.776 -4.107 285 HG1 THR 49 1HG THR 49 6.855 -5.291 -5.114 286 HG21 THR 49 3HG2 THR 49 4.704 -4.284 -6.776 287 HG22 THR 49 1HG2 THR 49 3.551 -5.512 -6.196 288 HG23 THR 49 2HG2 THR 49 5.203 -5.977 -6.575 289 H VAL 50 H VAL 50 2.301 -2.730 -5.544 290 HA VAL 50 HA VAL 50 0.162 -4.474 -4.364 291 HB VAL 50 HB VAL 50 0.126 -2.198 -3.347 292 HG11 VAL 50 1HG1 VAL 50 0.916 -0.893 -5.300 293 HG12 VAL 50 2HG1 VAL 50 -0.612 -1.224 -6.143 294 HG13 VAL 50 3HG1 VAL 50 -0.609 -0.262 -4.657 295 HG21 VAL 50 3HG2 VAL 50 -2.254 -1.696 -3.653 296 HG22 VAL 50 1HG2 VAL 50 -2.334 -2.857 -4.992 297 HG23 VAL 50 2HG2 VAL 50 -1.944 -3.403 -3.350 298 H THR 51 H THR 51 -1.521 -5.068 -5.749 299 HA THR 51 HA THR 51 -1.267 -4.328 -8.636 300 HB THR 51 HB THR 51 -1.889 -7.113 -7.595 301 HG1 THR 51 1HG THR 51 0.175 -7.540 -7.927 302 HG21 THR 51 3HG2 THR 51 -1.714 -7.814 -9.940 303 HG22 THR 51 1HG2 THR 51 -1.350 -6.161 -10.457 304 HG23 THR 51 2HG2 THR 51 -2.953 -6.558 -9.844 305 H TYR 52 H TYR 52 -3.104 -3.722 -9.556 306 HA TYR 52 HA TYR 52 -5.744 -4.582 -8.748 307 HB3 TYR 52 2HB TYR 52 -5.319 -3.029 -6.885 308 HD1 TYR 52 2HD TYR 52 -3.149 -1.812 -6.810 309 HD2 TYR 52 1HD TYR 52 -6.408 -0.422 -9.249 310 HE1 TYR 52 2HE TYR 52 -2.075 0.430 -6.965 311 HE2 TYR 52 1HE TYR 52 -5.303 1.792 -9.473 312 HH TYR 52 HH TYR 52 -2.158 2.511 -7.909 313 H ASP 53 H ASP 53 -7.471 -3.696 -10.066 314 HA ASP 53 HA ASP 53 -6.660 -2.648 -12.688 315 HB3 ASP 53 2HB ASP 53 -9.262 -3.610 -11.491 316 HA PRO 54 HA PRO 54 -7.208 1.516 -11.191 317 HB3 PRO 54 2HB PRO 54 -5.495 1.951 -12.687 318 HG3 PRO 54 2HG PRO 54 -5.556 1.078 -14.945 319 HD3 PRO 54 2HD PRO 54 -5.524 -0.699 -13.350 320 H LYS 55 H LYS 55 -9.699 -0.065 -12.292 321 HA LYS 55 HA LYS 55 -11.498 2.306 -12.506 322 HB3 LYS 55 2HB LYS 55 -12.919 0.684 -14.050 323 HG3 LYS 55 2HG LYS 55 -11.777 1.421 -16.121 324 HD3 LYS 55 2HD LYS 55 -12.006 3.694 -14.095 325 HE3 LYS 55 2HE LYS 55 -12.343 3.472 -17.105 326 HZ1 LYS 55 3HZ LYS 55 -12.926 5.812 -15.365 327 HZ2 LYS 55 1HZ LYS 55 -14.049 4.931 -16.184 328 HZ3 LYS 55 2HZ LYS 55 -12.931 5.795 -17.003 329 H GLN 56 H GLN 56 -11.047 -1.046 -11.446 330 HA GLN 56 HA GLN 56 -13.429 -0.974 -9.733 331 HB3 GLN 56 2HB GLN 56 -12.301 -2.795 -8.500 332 HG3 GLN 56 2HG GLN 56 -11.969 -3.420 -11.448 333 HE21 GLN 56 1HE2 GLN 56 -10.540 -4.967 -9.636 334 HE22 GLN 56 2HE2 GLN 56 -11.456 -6.405 -9.216 335 H VAL 57 H VAL 57 -9.937 -0.104 -9.279 336 HA VAL 57 HA VAL 57 -10.679 1.620 -7.011 337 HB VAL 57 HB VAL 57 -9.019 0.676 -5.463 338 HG11 VAL 57 1HG1 VAL 57 -10.267 -1.202 -4.629 339 HG12 VAL 57 2HG1 VAL 57 -11.383 0.032 -5.227 340 HG13 VAL 57 3HG1 VAL 57 -11.074 -1.439 -6.187 341 HG21 VAL 57 3HG2 VAL 57 -7.527 -0.465 -7.005 342 HG22 VAL 57 1HG2 VAL 57 -8.113 -1.601 -5.790 343 HG23 VAL 57 2HG2 VAL 57 -8.795 -1.640 -7.429 344 H SER 58 H SER 58 -8.429 2.598 -6.072 345 HA SER 58 HA SER 58 -6.561 3.167 -8.312 346 HB3 SER 58 2HB SER 58 -8.558 4.682 -8.537 347 HG SER 58 HG SER 58 -8.386 6.521 -7.066 348 H GLU 59 H GLU 59 -5.276 5.398 -7.191 349 HA GLU 59 HA GLU 59 -3.498 4.493 -5.223 350 HB3 GLU 59 2HB GLU 59 -3.043 6.814 -4.767 351 HG3 GLU 59 2HG GLU 59 -2.700 5.699 -7.231 352 H ILE 60 H ILE 60 -6.811 5.651 -4.782 353 HA ILE 60 HA ILE 60 -6.870 6.237 -1.993 354 HB ILE 60 HB ILE 60 -8.909 5.215 -3.979 355 HG13 ILE 60 2HG1 ILE 60 -9.801 7.442 -3.999 356 HG21 ILE 60 1HG2 ILE 60 -9.774 4.443 -1.927 357 HG22 ILE 60 2HG2 ILE 60 -9.387 5.971 -1.087 358 HG23 ILE 60 3HG2 ILE 60 -10.670 5.907 -2.326 359 HD11 ILE 60 3HD1 ILE 60 -8.647 9.361 -3.008 360 HD12 ILE 60 1HD1 ILE 60 -9.258 8.291 -1.733 361 HD13 ILE 60 2HD1 ILE 60 -7.529 8.292 -2.155 362 H THR 61 H THR 61 -6.965 3.075 -3.601 363 HA THR 61 HA THR 61 -7.615 1.486 -1.279 364 HB THR 61 HB THR 61 -7.036 1.123 -4.086 365 HG1 THR 61 1HG THR 61 -8.892 0.604 -2.738 366 HG21 THR 61 3HG2 THR 61 -4.935 -0.006 -3.452 367 HG22 THR 61 1HG2 THR 61 -6.141 -1.068 -4.186 368 HG23 THR 61 2HG2 THR 61 -5.887 -1.132 -2.437 369 H ILE 62 H ILE 62 -4.763 3.174 -1.991 370 HA ILE 62 HA ILE 62 -3.467 1.697 0.265 371 HB ILE 62 HB ILE 62 -2.716 0.945 -1.974 372 HG13 ILE 62 2HG1 ILE 62 -1.385 0.962 0.335 373 HG21 ILE 62 1HG2 ILE 62 -1.074 2.271 -3.231 374 HG22 ILE 62 2HG2 ILE 62 -2.652 3.050 -3.203 375 HG23 ILE 62 3HG2 ILE 62 -1.347 3.661 -2.160 376 HD11 ILE 62 3HD1 ILE 62 -0.098 0.327 -2.347 377 HD12 ILE 62 1HD1 ILE 62 0.532 -0.169 -0.774 378 HD13 ILE 62 2HD1 ILE 62 -1.039 -0.778 -1.313 379 H GLN 63 H GLN 63 -3.910 4.843 -1.225 380 HA GLN 63 HA GLN 63 -2.413 6.447 0.573 381 HB3 GLN 63 2HB GLN 63 -4.465 8.050 0.182 382 HG3 GLN 63 2HG GLN 63 -2.958 7.106 -2.294 383 HE21 GLN 63 1HE2 GLN 63 -2.195 9.787 -3.048 384 HE22 GLN 63 2HE2 GLN 63 -3.660 10.704 -3.367 385 H GLU 64 H GLU 64 -5.981 5.759 0.973 386 HA GLU 64 HA GLU 64 -5.987 6.819 3.617 387 HB3 GLU 64 2HB GLU 64 -8.160 5.896 3.893 388 HG3 GLU 64 2HG GLU 64 -8.030 6.290 0.881 389 H ARG 65 H ARG 65 -5.243 3.637 2.413 390 HA ARG 65 HA ARG 65 -5.394 2.221 4.911 391 HB3 ARG 65 2HB ARG 65 -3.785 1.376 2.482 392 HG3 ARG 65 2HG ARG 65 -5.859 -0.435 3.608 393 HD3 ARG 65 2HD ARG 65 -4.122 -2.106 3.434 394 HE ARG 65 HE ARG 65 -4.694 -0.511 1.124 395 HH11 ARG 65 1HH1 ARG 65 -2.513 -3.097 2.203 396 HH12 ARG 65 2HH1 ARG 65 -2.265 -3.665 0.571 397 HH21 ARG 65 1HH2 ARG 65 -4.385 -1.254 -0.854 398 HH22 ARG 65 2HH2 ARG 65 -3.356 -2.628 -1.198 399 H ILE 66 H ILE 66 -2.976 4.298 3.647 400 HA ILE 66 HA ILE 66 -1.006 3.279 5.700 401 HB ILE 66 HB ILE 66 -0.606 4.782 3.082 402 HG13 ILE 66 2HG1 ILE 66 -0.865 2.257 3.043 403 HG21 ILE 66 1HG2 ILE 66 1.802 4.878 3.641 404 HG22 ILE 66 2HG2 ILE 66 0.870 5.787 4.814 405 HG23 ILE 66 3HG2 ILE 66 1.479 4.162 5.224 406 HD11 ILE 66 3HD1 ILE 66 1.058 1.667 1.758 407 HD12 ILE 66 1HD1 ILE 66 0.601 3.325 1.336 408 HD13 ILE 66 2HD1 ILE 66 2.002 3.022 2.394 409 H ALA 67 H ALA 67 -2.635 6.193 4.430 410 HA ALA 67 HA ALA 67 -1.398 8.036 6.173 411 HB1 ALA 67 1HB ALA 67 -4.154 8.149 4.840 412 HB2 ALA 67 2HB ALA 67 -3.213 9.532 5.444 413 HB3 ALA 67 3HB ALA 67 -2.614 8.582 4.075 414 H ALA 68 H ALA 68 -4.675 6.497 6.510 415 HA ALA 68 HA ALA 68 -5.083 7.693 9.148 416 HB1 ALA 68 1HB ALA 68 -6.910 7.327 7.488 417 HB2 ALA 68 2HB ALA 68 -6.685 5.569 7.668 418 HB3 ALA 68 3HB ALA 68 -7.224 6.543 9.046 419 H LEU 69 H LEU 69 -3.733 4.676 8.011 420 HA LEU 69 HA LEU 69 -3.828 3.269 10.560 421 HB3 LEU 69 2HB LEU 69 -1.862 2.014 9.357 422 HG LEU 69 HG LEU 69 -3.343 0.768 7.852 423 HD11 LEU 69 1HD1 LEU 69 -4.777 -0.207 9.524 424 HD12 LEU 69 2HD1 LEU 69 -4.685 1.240 10.543 425 HD13 LEU 69 3HD1 LEU 69 -3.240 0.245 10.280 426 HD21 LEU 69 3HD2 LEU 69 -4.818 2.702 7.136 427 HD22 LEU 69 1HD2 LEU 69 -5.639 2.580 8.703 428 HD23 LEU 69 2HD2 LEU 69 -5.681 1.216 7.572 429 H GLY 70 H GLY 70 -1.833 5.892 9.389 430 HA2 GLY 70 2HA GLY 70 -1.009 7.160 11.365 431 HA3 GLY 70 3HA GLY 70 -0.194 5.690 11.904 432 H TYR 71 H TYR 71 0.033 6.122 8.497 433 HA TYR 71 HA TYR 71 2.838 7.116 8.804 434 HB3 TYR 71 2HB TYR 71 3.435 5.213 7.277 435 HD1 TYR 71 1HD TYR 71 4.498 5.754 9.773 436 HD2 TYR 71 2HD TYR 71 1.346 2.942 8.910 437 HE1 TYR 71 1HE TYR 71 4.980 4.573 11.893 438 HE2 TYR 71 2HE TYR 71 1.847 1.733 11.027 439 HH TYR 71 HH TYR 71 4.437 2.828 13.262 440 H THR 72 H THR 72 3.648 6.849 6.130 441 HA THR 72 HA THR 72 1.799 8.486 4.502 442 HB THR 72 HB THR 72 3.188 10.076 5.887 443 HG1 THR 72 1HG THR 72 4.017 11.112 3.833 444 HG21 THR 72 3HG2 THR 72 5.513 9.167 4.127 445 HG22 THR 72 1HG2 THR 72 5.333 8.732 5.836 446 HG23 THR 72 2HG2 THR 72 5.515 10.430 5.376 447 H LEU 73 H LEU 73 2.807 8.855 2.249 448 HA LEU 73 HA LEU 73 4.459 6.591 1.351 449 HB3 LEU 73 2HB LEU 73 2.169 5.652 1.535 450 HG LEU 73 HG LEU 73 1.460 7.634 -0.686 451 HD11 LEU 73 1HD1 LEU 73 0.856 5.284 -1.266 452 HD12 LEU 73 2HD1 LEU 73 -0.551 6.331 -1.052 453 HD13 LEU 73 3HD1 LEU 73 -0.104 5.190 0.229 454 HD21 LEU 73 3HD2 LEU 73 0.872 8.593 1.474 455 HD22 LEU 73 1HD2 LEU 73 0.153 7.057 2.016 456 HD23 LEU 73 2HD2 LEU 73 -0.604 8.006 0.722 457 H ALA 74 H ALA 74 5.052 6.576 -0.853 458 HA ALA 74 HA ALA 74 4.335 8.860 -2.579 459 HB1 ALA 74 1HB ALA 74 7.205 8.114 -1.853 460 HB2 ALA 74 2HB ALA 74 6.737 9.249 -3.136 461 HB3 ALA 74 3HB ALA 74 6.373 9.631 -1.443 462 H GLU 75 H GLU 75 3.777 8.092 -4.499 463 HA GLU 75 HA GLU 75 5.075 5.661 -5.616 464 HB3 GLU 75 2HB GLU 75 2.368 6.795 -6.471 465 HG3 GLU 75 2HG GLU 75 2.107 4.288 -7.092 466 HA PRO 76 HA PRO 76 7.191 8.812 -7.553 467 HB3 PRO 76 2HB PRO 76 8.933 7.471 -8.047 468 HG3 PRO 76 2HG PRO 76 8.547 5.174 -8.473 469 HD3 PRO 76 2HD PRO 76 7.182 5.655 -6.605 Start of MODEL 4 1 H2 PRO 6 2H PRO 6 -7.848 -7.110 -17.982 2 HA PRO 6 HA PRO 6 -5.404 -7.888 -16.568 3 HB3 PRO 6 2HB PRO 6 -4.135 -6.858 -18.305 4 HG3 PRO 6 2HG PRO 6 -4.776 -8.813 -19.421 5 HD3 PRO 6 2HD PRO 6 -6.423 -9.681 -18.111 6 H LEU 7 H LEU 7 -4.219 -5.901 -15.787 7 HA LEU 7 HA LEU 7 -5.832 -3.620 -14.949 8 HB3 LEU 7 2HB LEU 7 -6.697 -5.353 -13.511 9 HG LEU 7 HG LEU 7 -3.995 -5.610 -12.124 10 HD11 LEU 7 1HD1 LEU 7 -6.722 -6.902 -11.644 11 HD12 LEU 7 2HD1 LEU 7 -5.993 -5.613 -10.667 12 HD13 LEU 7 3HD1 LEU 7 -5.248 -7.214 -10.708 13 HD21 LEU 7 3HD2 LEU 7 -4.154 -8.061 -12.630 14 HD22 LEU 7 1HD2 LEU 7 -3.824 -7.079 -14.048 15 HD23 LEU 7 2HD2 LEU 7 -5.467 -7.709 -13.776 16 H LYS 8 H LYS 8 -3.923 -3.410 -12.520 17 HA LYS 8 HA LYS 8 -1.359 -2.839 -13.918 18 HB3 LYS 8 2HB LYS 8 -1.212 -0.757 -12.421 19 HG3 LYS 8 2HG LYS 8 -3.420 -0.550 -14.498 20 HD3 LYS 8 2HD LYS 8 -2.342 1.641 -14.953 21 HE3 LYS 8 2HE LYS 8 -3.175 1.216 -12.049 22 HZ1 LYS 8 3HZ LYS 8 -3.501 3.628 -12.042 23 HZ2 LYS 8 1HZ LYS 8 -2.774 3.760 -13.504 24 HZ3 LYS 8 2HZ LYS 8 -1.902 3.250 -12.203 25 H THR 9 H THR 9 0.481 -2.785 -12.609 26 HA THR 9 HA THR 9 0.268 -3.498 -9.764 27 HB THR 9 HB THR 9 0.574 -5.662 -10.992 28 HG1 THR 9 1HG THR 9 1.160 -5.728 -8.993 29 HG21 THR 9 3HG2 THR 9 3.385 -4.622 -11.559 30 HG22 THR 9 1HG2 THR 9 2.127 -4.928 -12.778 31 HG23 THR 9 2HG2 THR 9 2.777 -6.269 -11.824 32 H GLN 10 H GLN 10 2.130 -2.823 -8.497 33 HA GLN 10 HA GLN 10 3.956 -0.905 -9.757 34 HB3 GLN 10 2HB GLN 10 1.681 0.059 -7.970 35 HG3 GLN 10 2HG GLN 10 3.734 1.560 -8.186 36 HE21 GLN 10 1HE2 GLN 10 3.824 3.805 -9.650 37 HE22 GLN 10 2HE2 GLN 10 4.285 3.467 -11.315 38 H GLN 11 H GLN 11 5.537 -0.186 -8.319 39 HA GLN 11 HA GLN 11 5.425 -1.182 -5.514 40 HB3 GLN 11 2HB GLN 11 7.864 -1.263 -5.547 41 HG3 GLN 11 2HG GLN 11 6.865 -2.723 -8.029 42 HE21 GLN 11 1HE2 GLN 11 7.813 -4.874 -5.694 43 HE22 GLN 11 2HE2 GLN 11 9.427 -5.183 -6.344 44 H MET 12 H MET 12 6.411 0.228 -3.910 45 HA MET 12 HA MET 12 7.231 2.894 -4.628 46 HB3 MET 12 2HB MET 12 4.826 3.275 -4.779 47 HG3 MET 12 2HG MET 12 4.262 3.222 -1.902 48 HE1 MET 12 3HE MET 12 3.203 0.320 -4.368 49 HE2 MET 12 1HE MET 12 1.834 1.062 -5.232 50 HE3 MET 12 2HE MET 12 3.473 1.654 -5.513 51 H GLN 13 H GLN 13 8.141 4.092 -2.925 52 HA GLN 13 HA GLN 13 8.685 2.627 -0.420 53 HB3 GLN 13 2HB GLN 13 9.667 5.255 -0.136 54 HG3 GLN 13 2HG GLN 13 11.885 4.281 -0.637 55 HE21 GLN 13 1HE2 GLN 13 12.813 2.100 0.606 56 HE22 GLN 13 2HE2 GLN 13 11.951 1.742 2.092 57 H VAL 14 H VAL 14 8.524 4.088 1.585 58 HA VAL 14 HA VAL 14 5.937 5.517 1.809 59 HB VAL 14 HB VAL 14 5.561 3.028 2.061 60 HG11 VAL 14 1HG1 VAL 14 6.297 1.884 4.074 61 HG12 VAL 14 2HG1 VAL 14 7.726 2.485 3.223 62 HG13 VAL 14 3HG1 VAL 14 7.128 3.324 4.672 63 HG21 VAL 14 3HG2 VAL 14 4.954 4.643 4.569 64 HG22 VAL 14 1HG2 VAL 14 4.011 4.622 3.059 65 HG23 VAL 14 2HG2 VAL 14 4.147 3.158 4.036 66 H GLY 15 H GLY 15 5.791 6.739 3.784 67 HA2 GLY 15 2HA GLY 15 8.429 7.422 5.043 68 HA3 GLY 15 3HA GLY 15 7.009 8.475 4.912 69 H GLY 16 H GLY 16 8.452 5.798 6.635 70 HA2 GLY 16 2HA GLY 16 8.516 6.138 9.027 71 HA3 GLY 16 3HA GLY 16 6.790 6.503 9.030 72 H MET 17 H MET 17 6.674 3.965 7.058 73 HA MET 17 HA MET 17 6.295 2.003 9.244 74 HB3 MET 17 2HB MET 17 5.713 1.881 6.268 75 HG3 MET 17 2HG MET 17 5.177 -0.145 8.471 76 HE1 MET 17 3HE MET 17 3.463 -0.656 4.212 77 HE2 MET 17 1HE MET 17 4.313 0.835 4.653 78 HE3 MET 17 2HE MET 17 5.185 -0.713 4.637 79 H ARG 18 H ARG 18 7.751 0.590 9.832 80 HA ARG 18 HA ARG 18 9.844 -0.472 8.017 81 HB3 ARG 18 2HB ARG 18 11.510 -0.000 9.971 82 HG3 ARG 18 2HG ARG 18 11.939 2.363 9.330 83 HD3 ARG 18 2HD ARG 18 12.312 2.074 6.906 84 HE ARG 18 HE ARG 18 13.983 1.087 8.363 85 HH11 ARG 18 1HH1 ARG 18 11.678 -1.382 7.317 86 HH12 ARG 18 2HH1 ARG 18 12.824 -2.656 7.559 87 HH21 ARG 18 1HH2 ARG 18 15.470 -0.578 8.377 88 HH22 ARG 18 2HH2 ARG 18 14.923 -2.225 8.209 89 H CYS 19 H CYS 19 7.868 -1.000 10.905 90 HA CYS 19 HA CYS 19 9.363 -3.526 11.420 91 HB3 CYS 19 2HB CYS 19 9.064 -1.789 13.213 92 HG CYS 19 HG CYS 19 6.804 -1.977 14.742 93 H ALA 20 H ALA 20 8.225 -5.400 12.139 94 HA ALA 20 HA ALA 20 6.448 -6.468 10.220 95 HB1 ALA 20 1HB ALA 20 8.056 -7.709 11.691 96 HB2 ALA 20 2HB ALA 20 7.002 -7.398 13.080 97 HB3 ALA 20 3HB ALA 20 6.418 -8.389 11.726 98 H ALA 21 H ALA 21 5.717 -5.202 13.522 99 HA ALA 21 HA ALA 21 2.935 -5.755 13.520 100 HB1 ALA 21 1HB ALA 21 2.813 -3.973 15.223 101 HB2 ALA 21 2HB ALA 21 4.198 -5.043 15.510 102 HB3 ALA 21 3HB ALA 21 4.449 -3.430 14.805 103 H CYS 22 H CYS 22 4.588 -2.746 12.347 104 HA CYS 22 HA CYS 22 2.095 -1.588 11.457 105 HB3 CYS 22 2HB CYS 22 3.687 0.003 10.218 106 HG CYS 22 HG CYS 22 4.104 -0.686 13.460 107 H ALA 23 H ALA 23 4.606 -3.408 9.645 108 HA ALA 23 HA ALA 23 3.338 -3.341 7.106 109 HB1 ALA 23 1HB ALA 23 5.598 -4.252 7.569 110 HB2 ALA 23 2HB ALA 23 4.886 -5.581 8.508 111 HB3 ALA 23 3HB ALA 23 4.579 -5.471 6.769 112 H SER 24 H SER 24 2.502 -5.142 10.055 113 HA SER 24 HA SER 24 0.538 -6.876 8.692 114 HB3 SER 24 2HB SER 24 -0.013 -7.672 10.909 115 HG SER 24 HG SER 24 2.812 -7.300 10.786 116 H SER 25 H SER 25 0.448 -3.882 10.647 117 HA SER 25 HA SER 25 -2.379 -3.556 10.670 118 HB3 SER 25 2HB SER 25 -1.955 -1.299 11.370 119 HG SER 25 HG SER 25 -0.130 -1.624 12.902 120 H ILE 26 H ILE 26 -0.087 -2.902 8.149 121 HA ILE 26 HA ILE 26 -2.186 -1.863 6.323 122 HB ILE 26 HB ILE 26 0.686 -2.794 5.803 123 HG13 ILE 26 2HG1 ILE 26 1.129 -0.369 5.403 124 HG21 ILE 26 1HG2 ILE 26 -0.630 -3.075 3.766 125 HG22 ILE 26 2HG2 ILE 26 -1.314 -1.444 3.930 126 HG23 ILE 26 3HG2 ILE 26 0.418 -1.671 3.594 127 HD11 ILE 26 3HD1 ILE 26 -1.429 0.085 6.992 128 HD12 ILE 26 1HD1 ILE 26 -0.214 1.296 6.525 129 HD13 ILE 26 2HD1 ILE 26 -1.193 0.522 5.270 130 H GLU 27 H GLU 27 -0.286 -4.918 6.522 131 HA GLU 27 HA GLU 27 -1.600 -5.976 4.242 132 HB3 GLU 27 2HB GLU 27 -0.614 -8.206 5.173 133 HG3 GLU 27 2HG GLU 27 1.315 -5.931 4.593 134 H ARG 28 H ARG 28 -2.524 -6.282 7.664 135 HA ARG 28 HA ARG 28 -4.433 -8.395 7.301 136 HB3 ARG 28 2HB ARG 28 -4.278 -6.157 9.363 137 HG3 ARG 28 2HG ARG 28 -5.800 -8.778 9.328 138 HD3 ARG 28 2HD ARG 28 -4.604 -8.749 11.453 139 HE ARG 28 HE ARG 28 -5.944 -6.382 12.539 140 HH11 ARG 28 1HH1 ARG 28 -2.797 -7.594 11.317 141 HH12 ARG 28 2HH1 ARG 28 -1.989 -6.280 12.165 142 HH21 ARG 28 1HH2 ARG 28 -4.736 -4.910 13.572 143 HH22 ARG 28 2HH2 ARG 28 -2.973 -4.889 13.368 144 H ALA 29 H ALA 29 -4.689 -4.893 6.812 145 HA ALA 29 HA ALA 29 -7.612 -5.027 6.310 146 HB1 ALA 29 1HB ALA 29 -6.662 -3.084 7.508 147 HB2 ALA 29 2HB ALA 29 -5.604 -2.746 6.115 148 HB3 ALA 29 3HB ALA 29 -7.371 -2.603 5.948 149 H LEU 30 H LEU 30 -4.553 -4.715 4.480 150 HA LEU 30 HA LEU 30 -5.730 -3.977 2.020 151 HB3 LEU 30 2HB LEU 30 -3.074 -5.359 2.568 152 HG LEU 30 HG LEU 30 -3.327 -5.168 0.154 153 HD11 LEU 30 1HD1 LEU 30 -4.005 -2.224 0.627 154 HD12 LEU 30 2HD1 LEU 30 -5.095 -3.461 -0.046 155 HD13 LEU 30 3HD1 LEU 30 -3.672 -2.967 -0.955 156 HD21 LEU 30 3HD2 LEU 30 -1.427 -3.656 -0.307 157 HD22 LEU 30 1HD2 LEU 30 -1.137 -4.627 1.148 158 HD23 LEU 30 2HD2 LEU 30 -1.612 -2.919 1.293 159 H GLU 31 H GLU 31 -5.805 -7.111 3.442 160 HA GLU 31 HA GLU 31 -6.511 -8.391 0.867 161 HB3 GLU 31 2HB GLU 31 -5.301 -9.760 2.437 162 HG3 GLU 31 2HG GLU 31 -7.555 -9.139 4.385 163 H ARG 32 H ARG 32 -8.181 -6.435 3.147 164 HA ARG 32 HA ARG 32 -10.824 -7.672 2.536 165 HB3 ARG 32 2HB ARG 32 -11.670 -6.238 4.356 166 HG3 ARG 32 2HG ARG 32 -9.265 -7.815 5.337 167 HD3 ARG 32 2HD ARG 32 -12.055 -7.354 6.474 168 HE ARG 32 HE ARG 32 -10.085 -9.310 7.158 169 HH11 ARG 32 1HH1 ARG 32 -12.199 -6.951 8.783 170 HH12 ARG 32 2HH1 ARG 32 -12.145 -7.848 10.284 171 HH21 ARG 32 1HH2 ARG 32 -10.148 -10.418 9.093 172 HH22 ARG 32 2HH2 ARG 32 -10.825 -9.648 10.512 173 H LEU 33 H LEU 33 -8.979 -4.704 1.973 174 HA LEU 33 HA LEU 33 -11.055 -2.946 1.159 175 HB3 LEU 33 2HB LEU 33 -9.378 -1.773 -0.130 176 HG LEU 33 HG LEU 33 -7.843 -2.931 2.209 177 HD11 LEU 33 1HD1 LEU 33 -7.647 -0.200 0.908 178 HD12 LEU 33 2HD1 LEU 33 -6.563 -1.564 0.567 179 HD13 LEU 33 3HD1 LEU 33 -6.614 -0.855 2.191 180 HD21 LEU 33 3HD2 LEU 33 -9.797 -0.595 2.242 181 HD22 LEU 33 1HD2 LEU 33 -8.688 -1.033 3.561 182 HD23 LEU 33 2HD2 LEU 33 -9.985 -2.140 3.105 183 H LYS 34 H LYS 34 -11.740 -2.254 -0.918 184 HA LYS 34 HA LYS 34 -12.552 -4.457 -2.674 185 HB3 LYS 34 2HB LYS 34 -13.597 -2.487 -3.937 186 HG3 LYS 34 2HG LYS 34 -14.258 -2.791 -0.973 187 HD3 LYS 34 2HD LYS 34 -16.030 -1.913 -3.303 188 HE3 LYS 34 2HE LYS 34 -17.559 -1.288 -1.369 189 HZ1 LYS 34 3HZ LYS 34 -18.301 -3.561 -0.949 190 HZ2 LYS 34 1HZ LYS 34 -16.948 -4.182 -1.611 191 HZ3 LYS 34 2HZ LYS 34 -17.999 -3.331 -2.556 192 H GLY 35 H GLY 35 -12.088 -4.714 -4.851 193 HA2 GLY 35 2HA GLY 35 -10.991 -4.596 -6.861 194 HA3 GLY 35 3HA GLY 35 -10.639 -2.911 -6.441 195 H VAL 36 H VAL 36 -9.181 -5.271 -4.343 196 HA VAL 36 HA VAL 36 -6.526 -4.724 -5.635 197 HB VAL 36 HB VAL 36 -5.557 -5.305 -3.367 198 HG11 VAL 36 1HG1 VAL 36 -5.815 -3.017 -2.521 199 HG12 VAL 36 2HG1 VAL 36 -5.571 -3.027 -4.274 200 HG13 VAL 36 3HG1 VAL 36 -7.196 -2.749 -3.607 201 HG21 VAL 36 3HG2 VAL 36 -6.923 -4.816 -1.380 202 HG22 VAL 36 1HG2 VAL 36 -8.371 -4.682 -2.373 203 HG23 VAL 36 2HG2 VAL 36 -7.530 -6.247 -2.223 204 H ALA 37 H ALA 37 -5.354 -6.348 -6.341 205 HA ALA 37 HA ALA 37 -6.564 -9.063 -6.263 206 HB1 ALA 37 1HB ALA 37 -6.142 -7.998 -8.425 207 HB2 ALA 37 2HB ALA 37 -4.420 -7.809 -8.030 208 HB3 ALA 37 3HB ALA 37 -5.118 -9.429 -8.221 209 H GLU 38 H GLU 38 -3.239 -7.673 -5.978 210 HA GLU 38 HA GLU 38 -2.454 -9.772 -4.067 211 HB3 GLU 38 2HB GLU 38 -0.409 -10.244 -5.547 212 HG3 GLU 38 2HG GLU 38 -3.106 -11.260 -6.517 213 H ALA 39 H ALA 39 -1.042 -8.966 -2.575 214 HA ALA 39 HA ALA 39 0.733 -6.706 -3.287 215 HB1 ALA 39 1HB ALA 39 -0.230 -5.209 -1.630 216 HB2 ALA 39 2HB ALA 39 -1.504 -5.717 -2.755 217 HB3 ALA 39 3HB ALA 39 -1.413 -6.448 -1.137 218 H SER 40 H SER 40 2.218 -6.060 -1.609 219 HA SER 40 HA SER 40 2.556 -7.676 0.803 220 HB3 SER 40 2HB SER 40 3.390 -9.320 -0.725 221 HG SER 40 HG SER 40 3.934 -8.188 -2.561 222 H VAL 41 H VAL 41 3.649 -6.600 2.350 223 HA VAL 41 HA VAL 41 5.266 -4.180 1.702 224 HB VAL 41 HB VAL 41 4.642 -5.470 4.405 225 HG11 VAL 41 1HG1 VAL 41 5.525 -3.285 5.311 226 HG12 VAL 41 2HG1 VAL 41 6.767 -4.276 4.545 227 HG13 VAL 41 3HG1 VAL 41 6.088 -2.881 3.680 228 HG21 VAL 41 3HG2 VAL 41 3.151 -3.612 4.813 229 HG22 VAL 41 1HG2 VAL 41 3.572 -2.865 3.267 230 HG23 VAL 41 2HG2 VAL 41 2.645 -4.384 3.307 231 H THR 42 H THR 42 7.418 -4.339 1.414 232 HA THR 42 HA THR 42 8.872 -6.858 2.092 233 HB THR 42 HB THR 42 9.748 -4.420 0.517 234 HG1 THR 42 1HG THR 42 8.851 -7.029 -0.154 235 HG21 THR 42 3HG2 THR 42 11.697 -5.571 1.473 236 HG22 THR 42 1HG2 THR 42 11.583 -5.922 -0.255 237 HG23 THR 42 2HG2 THR 42 11.067 -7.143 0.932 238 H VAL 43 H VAL 43 9.011 -6.793 4.238 239 HA VAL 43 HA VAL 43 9.168 -4.486 5.841 240 HB VAL 43 HB VAL 43 9.905 -7.367 6.481 241 HG11 VAL 43 1HG1 VAL 43 9.490 -5.039 8.418 242 HG12 VAL 43 2HG1 VAL 43 9.465 -6.748 8.892 243 HG13 VAL 43 3HG1 VAL 43 10.947 -6.051 8.246 244 HG21 VAL 43 3HG2 VAL 43 7.407 -5.697 7.049 245 HG22 VAL 43 1HG2 VAL 43 7.532 -6.935 5.789 246 HG23 VAL 43 2HG2 VAL 43 7.644 -7.399 7.489 247 H ALA 44 H ALA 44 11.859 -6.271 4.348 248 HA ALA 44 HA ALA 44 14.040 -5.371 5.846 249 HB1 ALA 44 1HB ALA 44 15.313 -5.741 3.768 250 HB2 ALA 44 2HB ALA 44 14.122 -7.028 4.026 251 HB3 ALA 44 3HB ALA 44 13.808 -5.751 2.827 252 H THR 45 H THR 45 12.110 -3.384 3.601 253 HA THR 45 HA THR 45 13.672 -0.997 4.515 254 HB THR 45 HB THR 45 13.623 -0.021 2.304 255 HG1 THR 45 1HG THR 45 13.021 -1.301 0.559 256 HG21 THR 45 3HG2 THR 45 14.831 -2.816 2.119 257 HG22 THR 45 1HG2 THR 45 15.576 -1.424 2.943 258 HG23 THR 45 2HG2 THR 45 15.308 -1.380 1.205 259 H GLY 46 H GLY 46 10.658 -2.390 4.325 260 HA2 GLY 46 2HA GLY 46 8.610 -1.550 5.031 261 HA3 GLY 46 3HA GLY 46 9.243 0.116 4.937 262 H ARG 47 H ARG 47 10.034 -1.230 2.001 263 HA ARG 47 HA ARG 47 8.109 0.468 0.705 264 HB3 ARG 47 2HB ARG 47 10.473 0.077 -0.041 265 HG3 ARG 47 2HG ARG 47 10.300 -2.507 -0.141 266 HD3 ARG 47 2HD ARG 47 9.149 -1.742 -2.886 267 HE ARG 47 HE ARG 47 9.503 -4.560 -2.129 268 HH11 ARG 47 1HH1 ARG 47 10.904 -1.882 -4.025 269 HH12 ARG 47 2HH1 ARG 47 11.758 -2.996 -5.065 270 HH21 ARG 47 1HH2 ARG 47 10.563 -5.874 -3.570 271 HH22 ARG 47 2HH2 ARG 47 11.735 -5.200 -4.676 272 H LEU 48 H LEU 48 6.589 -0.120 -0.922 273 HA LEU 48 HA LEU 48 5.167 -2.687 -0.347 274 HB3 LEU 48 2HB LEU 48 3.239 -0.988 -1.387 275 HG LEU 48 HG LEU 48 4.205 -1.269 1.485 276 HD11 LEU 48 1HD1 LEU 48 2.020 -0.259 2.087 277 HD12 LEU 48 2HD1 LEU 48 1.678 0.026 0.357 278 HD13 LEU 48 3HD1 LEU 48 3.011 0.890 1.167 279 HD21 LEU 48 3HD2 LEU 48 3.233 -3.338 0.555 280 HD22 LEU 48 1HD2 LEU 48 1.877 -2.450 -0.161 281 HD23 LEU 48 2HD2 LEU 48 2.004 -2.610 1.593 282 H THR 49 H THR 49 4.000 -3.640 -1.904 283 HA THR 49 HA THR 49 4.336 -3.048 -4.809 284 HB THR 49 HB THR 49 4.725 -5.803 -3.542 285 HG1 THR 49 1HG THR 49 6.574 -4.731 -3.332 286 HG21 THR 49 3HG2 THR 49 3.598 -5.996 -5.701 287 HG22 THR 49 1HG2 THR 49 5.291 -6.472 -5.883 288 HG23 THR 49 2HG2 THR 49 4.755 -4.874 -6.454 289 H VAL 50 H VAL 50 2.381 -3.099 -5.703 290 HA VAL 50 HA VAL 50 0.183 -4.672 -4.478 291 HB VAL 50 HB VAL 50 0.151 -2.555 -3.241 292 HG11 VAL 50 1HG1 VAL 50 -0.364 -1.120 -5.879 293 HG12 VAL 50 2HG1 VAL 50 -0.320 -0.414 -4.256 294 HG13 VAL 50 3HG1 VAL 50 1.158 -1.076 -4.968 295 HG21 VAL 50 3HG2 VAL 50 -2.194 -1.946 -3.593 296 HG22 VAL 50 1HG2 VAL 50 -2.205 -2.743 -5.173 297 HG23 VAL 50 2HG2 VAL 50 -1.998 -3.701 -3.696 298 H THR 51 H THR 51 -1.168 -5.470 -5.865 299 HA THR 51 HA THR 51 -1.376 -4.453 -8.670 300 HB THR 51 HB THR 51 -1.918 -7.255 -7.570 301 HG1 THR 51 1HG THR 51 0.035 -7.723 -8.565 302 HG21 THR 51 3HG2 THR 51 -1.680 -6.254 -10.479 303 HG22 THR 51 1HG2 THR 51 -3.216 -6.597 -9.684 304 HG23 THR 51 2HG2 THR 51 -2.052 -7.903 -9.947 305 H TYR 52 H TYR 52 -3.248 -3.552 -9.172 306 HA TYR 52 HA TYR 52 -5.733 -4.173 -7.700 307 HB3 TYR 52 2HB TYR 52 -4.623 -2.392 -6.387 308 HD1 TYR 52 1HD TYR 52 -6.273 -0.291 -8.982 309 HD2 TYR 52 2HD TYR 52 -2.583 -1.207 -6.960 310 HE1 TYR 52 1HE TYR 52 -5.244 1.775 -9.920 311 HE2 TYR 52 2HE TYR 52 -1.574 0.894 -7.828 312 HH TYR 52 HH TYR 52 -1.918 2.824 -9.109 313 H ASP 53 H ASP 53 -7.668 -3.359 -8.727 314 HA ASP 53 HA ASP 53 -7.383 -3.174 -11.651 315 HB3 ASP 53 2HB ASP 53 -9.804 -3.610 -9.915 316 HA PRO 54 HA PRO 54 -7.552 1.249 -10.856 317 HB3 PRO 54 2HB PRO 54 -5.768 1.351 -12.258 318 HG3 PRO 54 2HG PRO 54 -5.652 0.026 -14.249 319 HD3 PRO 54 2HD PRO 54 -5.888 -1.426 -12.437 320 H LYS 55 H LYS 55 -9.991 -0.461 -11.862 321 HA LYS 55 HA LYS 55 -11.675 1.804 -12.888 322 HB3 LYS 55 2HB LYS 55 -13.003 0.253 -14.139 323 HG3 LYS 55 2HG LYS 55 -10.070 -0.454 -14.655 324 HD3 LYS 55 2HD LYS 55 -12.442 -0.650 -16.545 325 HE3 LYS 55 2HE LYS 55 -9.487 -1.392 -16.824 326 HZ1 LYS 55 3HZ LYS 55 -10.111 -1.814 -19.144 327 HZ2 LYS 55 1HZ LYS 55 -11.697 -1.547 -18.793 328 HZ3 LYS 55 2HZ LYS 55 -10.885 -2.835 -18.142 329 H GLN 56 H GLN 56 -11.644 -1.268 -11.036 330 HA GLN 56 HA GLN 56 -13.883 -0.646 -9.332 331 HB3 GLN 56 2HB GLN 56 -12.800 -2.438 -7.859 332 HG3 GLN 56 2HG GLN 56 -13.468 -2.891 -10.771 333 HE21 GLN 56 1HE2 GLN 56 -13.249 -4.862 -11.764 334 HE22 GLN 56 2HE2 GLN 56 -12.747 -6.337 -10.931 335 H VAL 57 H VAL 57 -10.354 0.109 -8.938 336 HA VAL 57 HA VAL 57 -11.068 2.225 -7.027 337 HB VAL 57 HB VAL 57 -9.502 1.569 -5.267 338 HG11 VAL 57 1HG1 VAL 57 -10.804 -0.031 -4.087 339 HG12 VAL 57 2HG1 VAL 57 -11.902 0.999 -5.009 340 HG13 VAL 57 3HG1 VAL 57 -11.540 -0.655 -5.572 341 HG21 VAL 57 3HG2 VAL 57 -9.261 -1.116 -6.708 342 HG22 VAL 57 1HG2 VAL 57 -7.973 0.087 -6.526 343 HG23 VAL 57 2HG2 VAL 57 -8.609 -0.737 -5.100 344 H SER 58 H SER 58 -8.558 2.991 -6.120 345 HA SER 58 HA SER 58 -6.541 2.648 -8.211 346 HB3 SER 58 2HB SER 58 -7.436 5.446 -7.419 347 HG SER 58 HG SER 58 -5.470 5.803 -8.121 348 H GLU 59 H GLU 59 -4.478 4.035 -7.388 349 HA GLU 59 HA GLU 59 -3.473 3.036 -4.985 350 HB3 GLU 59 2HB GLU 59 -1.840 3.827 -6.299 351 HG3 GLU 59 2HG GLU 59 -2.909 5.191 -7.950 352 H ILE 60 H ILE 60 -5.487 5.912 -5.339 353 HA ILE 60 HA ILE 60 -5.538 7.112 -2.830 354 HB ILE 60 HB ILE 60 -7.636 6.350 -4.872 355 HG13 ILE 60 2HG1 ILE 60 -5.918 8.216 -5.159 356 HG21 ILE 60 1HG2 ILE 60 -8.272 7.694 -2.223 357 HG22 ILE 60 2HG2 ILE 60 -9.340 7.720 -3.646 358 HG23 ILE 60 3HG2 ILE 60 -8.964 6.185 -2.888 359 HD11 ILE 60 3HD1 ILE 60 -7.402 9.832 -6.124 360 HD12 ILE 60 1HD1 ILE 60 -8.050 8.216 -6.464 361 HD13 ILE 60 2HD1 ILE 60 -8.784 9.232 -5.197 362 H THR 61 H THR 61 -7.116 3.974 -3.573 363 HA THR 61 HA THR 61 -8.377 3.704 -1.000 364 HB THR 61 HB THR 61 -7.817 1.884 -3.343 365 HG1 THR 61 1HG THR 61 -9.527 3.251 -3.518 366 HG21 THR 61 3HG2 THR 61 -9.078 1.017 -0.701 367 HG22 THR 61 1HG2 THR 61 -7.671 0.289 -1.514 368 HG23 THR 61 2HG2 THR 61 -9.270 0.157 -2.246 369 H ILE 62 H ILE 62 -5.215 2.563 -2.164 370 HA ILE 62 HA ILE 62 -4.664 1.303 0.462 371 HB ILE 62 HB ILE 62 -3.850 0.157 -1.478 372 HG13 ILE 62 2HG1 ILE 62 -2.564 0.106 0.673 373 HG21 ILE 62 1HG2 ILE 62 -3.558 1.984 -3.058 374 HG22 ILE 62 2HG2 ILE 62 -2.172 2.616 -2.132 375 HG23 ILE 62 3HG2 ILE 62 -2.082 1.048 -2.961 376 HD11 ILE 62 3HD1 ILE 62 -1.894 -1.384 -1.260 377 HD12 ILE 62 1HD1 ILE 62 -0.672 -0.169 -1.700 378 HD13 ILE 62 2HD1 ILE 62 -0.586 -0.983 -0.132 379 H GLN 63 H GLN 63 -3.931 4.371 -1.174 380 HA GLN 63 HA GLN 63 -2.035 5.348 0.696 381 HB3 GLN 63 2HB GLN 63 -4.145 7.082 -0.631 382 HG3 GLN 63 2HG GLN 63 -1.145 7.507 -0.321 383 HE21 GLN 63 1HE2 GLN 63 -3.916 9.673 0.353 384 HE22 GLN 63 2HE2 GLN 63 -3.585 10.769 -0.989 385 H GLU 64 H GLU 64 -5.650 5.502 0.835 386 HA GLU 64 HA GLU 64 -5.771 6.858 3.374 387 HB3 GLU 64 2HB GLU 64 -8.062 5.683 3.478 388 HG3 GLU 64 2HG GLU 64 -8.997 6.965 1.546 389 H ARG 65 H ARG 65 -5.096 3.421 2.716 390 HA ARG 65 HA ARG 65 -5.413 2.759 5.572 391 HB3 ARG 65 2HB ARG 65 -4.363 1.198 3.175 392 HG3 ARG 65 2HG ARG 65 -3.409 0.001 4.965 393 HD3 ARG 65 2HD ARG 65 -4.379 0.865 6.995 394 HE ARG 65 HE ARG 65 -6.936 0.562 5.846 395 HH11 ARG 65 1HH1 ARG 65 -5.375 -0.168 8.951 396 HH12 ARG 65 2HH1 ARG 65 -6.852 0.132 9.829 397 HH21 ARG 65 1HH2 ARG 65 -8.728 0.925 7.026 398 HH22 ARG 65 2HH2 ARG 65 -8.728 0.801 8.772 399 H ILE 66 H ILE 66 -2.629 3.573 3.454 400 HA ILE 66 HA ILE 66 -0.761 3.271 5.726 401 HB ILE 66 HB ILE 66 -0.479 4.654 3.031 402 HG13 ILE 66 2HG1 ILE 66 0.687 2.140 4.339 403 HG21 ILE 66 1HG2 ILE 66 1.872 5.077 3.621 404 HG22 ILE 66 2HG2 ILE 66 0.805 5.979 4.678 405 HG23 ILE 66 3HG2 ILE 66 1.576 4.481 5.272 406 HD11 ILE 66 3HD1 ILE 66 -0.503 2.667 1.585 407 HD12 ILE 66 1HD1 ILE 66 0.243 1.146 2.078 408 HD13 ILE 66 2HD1 ILE 66 -1.242 1.674 2.877 409 H ALA 67 H ALA 67 -2.594 6.066 4.425 410 HA ALA 67 HA ALA 67 -1.552 7.949 6.261 411 HB1 ALA 67 1HB ALA 67 -4.278 7.870 4.898 412 HB2 ALA 67 2HB ALA 67 -3.479 9.303 5.580 413 HB3 ALA 67 3HB ALA 67 -2.758 8.472 4.188 414 H ALA 68 H ALA 68 -4.372 5.724 6.598 415 HA ALA 68 HA ALA 68 -5.329 6.837 9.047 416 HB1 ALA 68 1HB ALA 68 -6.700 4.770 9.115 417 HB2 ALA 68 2HB ALA 68 -6.707 5.548 7.521 418 HB3 ALA 68 3HB ALA 68 -5.724 4.089 7.789 419 H LEU 69 H LEU 69 -2.707 4.532 8.509 420 HA LEU 69 HA LEU 69 -2.371 3.916 11.371 421 HB3 LEU 69 2HB LEU 69 -0.094 3.286 10.769 422 HG LEU 69 HG LEU 69 -1.724 2.148 8.504 423 HD11 LEU 69 1HD1 LEU 69 0.681 1.586 8.727 424 HD12 LEU 69 2HD1 LEU 69 -0.334 0.165 9.025 425 HD13 LEU 69 3HD1 LEU 69 0.404 1.022 10.388 426 HD21 LEU 69 3HD2 LEU 69 -2.598 0.408 10.008 427 HD22 LEU 69 1HD2 LEU 69 -3.249 1.986 10.432 428 HD23 LEU 69 2HD2 LEU 69 -1.946 1.280 11.418 429 H GLY 70 H GLY 70 -1.907 6.813 9.567 430 HA2 GLY 70 2HA GLY 70 -1.187 8.867 10.370 431 HA3 GLY 70 3HA GLY 70 -0.337 8.098 11.732 432 H TYR 71 H TYR 71 0.318 6.581 8.717 433 HA TYR 71 HA TYR 71 2.932 8.003 8.455 434 HB3 TYR 71 2HB TYR 71 3.587 6.014 7.104 435 HD1 TYR 71 1HD TYR 71 4.549 7.070 9.632 436 HD2 TYR 71 2HD TYR 71 2.273 3.487 8.860 437 HE1 TYR 71 1HE TYR 71 5.449 6.059 11.706 438 HE2 TYR 71 2HE TYR 71 3.181 2.474 10.934 439 HH TYR 71 HH TYR 71 5.428 4.236 13.119 440 H THR 72 H THR 72 3.463 7.475 5.763 441 HA THR 72 HA THR 72 1.314 8.769 4.180 442 HB THR 72 HB THR 72 4.145 9.930 4.218 443 HG1 THR 72 1HG THR 72 3.435 10.409 6.198 444 HG21 THR 72 3HG2 THR 72 1.477 11.091 3.299 445 HG22 THR 72 1HG2 THR 72 2.749 10.468 2.226 446 HG23 THR 72 2HG2 THR 72 3.054 11.895 3.222 447 H LEU 73 H LEU 73 1.542 8.249 1.936 448 HA LEU 73 HA LEU 73 3.488 6.094 1.329 449 HB3 LEU 73 2HB LEU 73 1.213 7.131 -0.387 450 HG LEU 73 HG LEU 73 2.554 5.365 -1.506 451 HD11 LEU 73 1HD1 LEU 73 2.381 3.016 -0.533 452 HD12 LEU 73 2HD1 LEU 73 1.792 3.744 0.963 453 HD13 LEU 73 3HD1 LEU 73 3.436 4.095 0.387 454 HD21 LEU 73 3HD2 LEU 73 0.605 3.903 -1.997 455 HD22 LEU 73 1HD2 LEU 73 0.112 5.597 -1.894 456 HD23 LEU 73 2HD2 LEU 73 -0.213 4.487 -0.543 457 H ALA 74 H ALA 74 4.842 6.066 -0.565 458 HA ALA 74 HA ALA 74 5.308 8.718 -1.868 459 HB1 ALA 74 1HB ALA 74 7.395 6.608 -1.210 460 HB2 ALA 74 2HB ALA 74 7.669 8.218 -1.862 461 HB3 ALA 74 3HB ALA 74 7.055 8.039 -0.212 462 H GLU 75 H GLU 75 3.411 7.132 -3.010 463 HA GLU 75 HA GLU 75 4.591 5.980 -5.477 464 HB3 GLU 75 2HB GLU 75 1.660 6.592 -5.339 465 HG3 GLU 75 2HG GLU 75 1.421 4.278 -6.134 466 HA PRO 76 HA PRO 76 5.036 10.302 -5.961 467 HB3 PRO 76 2HB PRO 76 7.141 9.795 -6.735 468 HG3 PRO 76 2HG PRO 76 7.504 8.002 -8.274 469 HD3 PRO 76 2HD PRO 76 6.362 7.134 -6.405 Start of MODEL 5 1 H2 PRO 6 2H PRO 6 -6.469 -3.608 -17.463 2 HA PRO 6 HA PRO 6 -8.559 -5.113 -16.079 3 HB3 PRO 6 2HB PRO 6 -7.730 -7.137 -16.701 4 HG3 PRO 6 2HG PRO 6 -7.615 -6.873 -19.021 5 HD3 PRO 6 2HD PRO 6 -8.819 -4.878 -18.699 6 H LEU 7 H LEU 7 -6.969 -6.435 -14.250 7 HA LEU 7 HA LEU 7 -5.918 -4.384 -12.543 8 HB3 LEU 7 2HB LEU 7 -7.007 -6.456 -11.721 9 HG LEU 7 HG LEU 7 -4.378 -7.857 -12.411 10 HD11 LEU 7 1HD1 LEU 7 -5.245 -8.364 -10.184 11 HD12 LEU 7 2HD1 LEU 7 -5.363 -9.773 -11.236 12 HD13 LEU 7 3HD1 LEU 7 -6.821 -8.820 -10.867 13 HD21 LEU 7 3HD2 LEU 7 -7.206 -8.407 -13.427 14 HD22 LEU 7 1HD2 LEU 7 -5.851 -9.544 -13.575 15 HD23 LEU 7 2HD2 LEU 7 -5.769 -7.998 -14.406 16 H LYS 8 H LYS 8 -3.815 -4.013 -11.859 17 HA LYS 8 HA LYS 8 -1.537 -5.000 -13.456 18 HB3 LYS 8 2HB LYS 8 -2.363 -3.415 -14.962 19 HG3 LYS 8 2HG LYS 8 -3.799 -2.051 -13.243 20 HD3 LYS 8 2HD LYS 8 -1.389 -0.206 -13.473 21 HE3 LYS 8 2HE LYS 8 -3.933 -0.071 -11.789 22 HZ1 LYS 8 3HZ LYS 8 -2.001 2.057 -12.480 23 HZ2 LYS 8 1HZ LYS 8 -1.970 1.256 -11.045 24 HZ3 LYS 8 2HZ LYS 8 -3.260 2.210 -11.465 25 H THR 9 H THR 9 0.487 -4.596 -12.616 26 HA THR 9 HA THR 9 0.537 -4.130 -9.724 27 HB THR 9 HB THR 9 1.614 -6.077 -10.915 28 HG1 THR 9 1HG THR 9 3.183 -6.105 -9.369 29 HG21 THR 9 3HG2 THR 9 3.922 -4.137 -11.345 30 HG22 THR 9 1HG2 THR 9 2.826 -4.634 -12.656 31 HG23 THR 9 2HG2 THR 9 3.807 -5.846 -11.816 32 H GLN 10 H GLN 10 2.391 -3.018 -8.729 33 HA GLN 10 HA GLN 10 4.019 -1.123 -9.917 34 HB3 GLN 10 2HB GLN 10 2.200 0.355 -10.428 35 HG3 GLN 10 2HG GLN 10 1.025 1.431 -8.327 36 HE21 GLN 10 1HE2 GLN 10 -0.128 -1.891 -8.302 37 HE22 GLN 10 2HE2 GLN 10 -1.350 -1.642 -9.538 38 H GLN 11 H GLN 11 5.293 0.066 -8.361 39 HA GLN 11 HA GLN 11 5.132 -0.964 -5.561 40 HB3 GLN 11 2HB GLN 11 7.613 -0.583 -5.529 41 HG3 GLN 11 2HG GLN 11 6.305 -2.836 -6.389 42 HE21 GLN 11 1HE2 GLN 11 9.484 -2.082 -7.954 43 HE22 GLN 11 2HE2 GLN 11 9.019 -2.792 -9.500 44 H MET 12 H MET 12 6.165 0.447 -3.941 45 HA MET 12 HA MET 12 6.523 3.271 -4.551 46 HB3 MET 12 2HB MET 12 4.068 3.145 -4.286 47 HG3 MET 12 2HG MET 12 4.626 2.396 -1.384 48 HE1 MET 12 3HE MET 12 1.955 2.250 -4.270 49 HE2 MET 12 1HE MET 12 1.621 0.844 -3.237 50 HE3 MET 12 2HE MET 12 0.454 2.182 -3.328 51 H GLN 13 H GLN 13 7.680 4.385 -2.988 52 HA GLN 13 HA GLN 13 8.817 2.859 -0.699 53 HB3 GLN 13 2HB GLN 13 10.219 4.887 -0.416 54 HG3 GLN 13 2HG GLN 13 11.480 4.898 -2.576 55 HE21 GLN 13 1HE2 GLN 13 12.535 3.959 -0.542 56 HE22 GLN 13 2HE2 GLN 13 12.884 2.234 -0.583 57 H VAL 14 H VAL 14 8.411 3.454 1.454 58 HA VAL 14 HA VAL 14 6.206 5.399 1.991 59 HB VAL 14 HB VAL 14 6.197 2.430 2.311 60 HG11 VAL 14 1HG1 VAL 14 5.983 3.089 4.663 61 HG12 VAL 14 2HG1 VAL 14 4.678 4.220 4.261 62 HG13 VAL 14 3HG1 VAL 14 4.442 2.484 4.039 63 HG21 VAL 14 3HG2 VAL 14 3.866 2.655 1.672 64 HG22 VAL 14 1HG2 VAL 14 3.962 4.418 1.803 65 HG23 VAL 14 2HG2 VAL 14 4.880 3.566 0.544 66 H GLY 15 H GLY 15 6.163 6.301 3.973 67 HA2 GLY 15 2HA GLY 15 8.778 6.225 5.466 68 HA3 GLY 15 3HA GLY 15 7.764 7.656 5.220 69 H GLY 16 H GLY 16 8.613 5.307 7.396 70 HA2 GLY 16 2HA GLY 16 8.019 5.359 9.667 71 HA3 GLY 16 3HA GLY 16 6.412 6.011 9.267 72 H MET 17 H MET 17 7.342 3.278 7.331 73 HA MET 17 HA MET 17 5.569 1.541 9.021 74 HB3 MET 17 2HB MET 17 5.728 1.271 6.029 75 HG3 MET 17 2HG MET 17 3.523 0.907 8.093 76 HE1 MET 17 3HE MET 17 3.038 -0.435 3.708 77 HE2 MET 17 1HE MET 17 4.578 0.207 4.303 78 HE3 MET 17 2HE MET 17 3.933 -1.303 4.971 79 H ARG 18 H ARG 18 8.742 1.754 8.197 80 HA ARG 18 HA ARG 18 9.334 -0.979 7.497 81 HB3 ARG 18 2HB ARG 18 10.735 0.812 6.788 82 HG3 ARG 18 2HG ARG 18 11.845 1.180 9.593 83 HD3 ARG 18 2HD ARG 18 12.863 3.186 8.520 84 HE ARG 18 HE ARG 18 13.894 0.725 8.296 85 HH11 ARG 18 1HH1 ARG 18 13.775 3.251 5.771 86 HH12 ARG 18 2HH1 ARG 18 15.298 2.717 5.097 87 HH21 ARG 18 1HH2 ARG 18 15.817 0.161 7.366 88 HH22 ARG 18 2HH2 ARG 18 16.450 1.056 6.022 89 H CYS 19 H CYS 19 7.736 -1.543 9.316 90 HA CYS 19 HA CYS 19 9.208 -2.792 11.536 91 HB3 CYS 19 2HB CYS 19 6.960 -0.767 11.954 92 HG CYS 19 HG CYS 19 7.462 -0.920 14.584 93 H ALA 20 H ALA 20 8.414 -4.787 11.857 94 HA ALA 20 HA ALA 20 6.490 -5.974 10.204 95 HB1 ALA 20 1HB ALA 20 6.752 -7.922 11.703 96 HB2 ALA 20 2HB ALA 20 8.319 -7.161 11.371 97 HB3 ALA 20 3HB ALA 20 7.515 -6.890 12.930 98 H ALA 21 H ALA 21 5.971 -4.589 13.459 99 HA ALA 21 HA ALA 21 3.282 -5.446 13.860 100 HB1 ALA 21 1HB ALA 21 4.697 -4.409 15.603 101 HB2 ALA 21 2HB ALA 21 4.679 -2.864 14.723 102 HB3 ALA 21 3HB ALA 21 3.180 -3.519 15.407 103 H CYS 22 H CYS 22 4.564 -2.597 12.096 104 HA CYS 22 HA CYS 22 1.933 -1.581 11.450 105 HB3 CYS 22 2HB CYS 22 3.208 0.122 10.199 106 HG CYS 22 HG CYS 22 3.054 0.324 12.863 107 H ALA 23 H ALA 23 4.394 -3.362 9.568 108 HA ALA 23 HA ALA 23 2.936 -3.702 7.162 109 HB1 ALA 23 1HB ALA 23 5.294 -4.403 7.574 110 HB2 ALA 23 2HB ALA 23 4.711 -5.703 8.639 111 HB3 ALA 23 3HB ALA 23 4.307 -5.727 6.915 112 H SER 24 H SER 24 2.480 -5.235 10.348 113 HA SER 24 HA SER 24 0.712 -7.331 9.328 114 HB3 SER 24 2HB SER 24 0.251 -7.822 11.687 115 HG SER 24 HG SER 24 3.010 -7.234 11.230 116 H SER 25 H SER 25 0.212 -4.005 10.334 117 HA SER 25 HA SER 25 -2.688 -4.213 10.630 118 HB3 SER 25 2HB SER 25 -2.644 -1.921 11.142 119 HG SER 25 HG SER 25 -0.582 -1.631 12.361 120 H ILE 26 H ILE 26 -0.415 -2.955 8.157 121 HA ILE 26 HA ILE 26 -2.583 -2.274 6.303 122 HB ILE 26 HB ILE 26 0.420 -2.364 6.135 123 HG13 ILE 26 2HG1 ILE 26 -1.660 -0.246 5.466 124 HG21 ILE 26 1HG2 ILE 26 -1.396 -2.153 3.693 125 HG22 ILE 26 2HG2 ILE 26 0.339 -1.774 3.714 126 HG23 ILE 26 3HG2 ILE 26 -0.187 -3.423 4.004 127 HD11 ILE 26 3HD1 ILE 26 -1.281 -0.322 7.893 128 HD12 ILE 26 1HD1 ILE 26 0.479 -0.312 7.637 129 HD13 ILE 26 2HD1 ILE 26 -0.485 1.108 7.191 130 H GLU 27 H GLU 27 -0.369 -5.154 6.509 131 HA GLU 27 HA GLU 27 -1.480 -6.192 4.072 132 HB3 GLU 27 2HB GLU 27 -0.312 -8.322 4.686 133 HG3 GLU 27 2HG GLU 27 1.437 -5.845 4.935 134 H ARG 28 H ARG 28 -2.564 -6.621 7.438 135 HA ARG 28 HA ARG 28 -4.344 -8.829 6.781 136 HB3 ARG 28 2HB ARG 28 -4.639 -6.855 9.071 137 HG3 ARG 28 2HG ARG 28 -6.484 -8.632 8.649 138 HD3 ARG 28 2HD ARG 28 -4.363 -10.487 9.824 139 HE ARG 28 HE ARG 28 -6.688 -11.659 8.567 140 HH11 ARG 28 1HH1 ARG 28 -5.563 -10.472 11.753 141 HH12 ARG 28 2HH1 ARG 28 -6.674 -11.566 12.559 142 HH21 ARG 28 1HH2 ARG 28 -8.216 -12.794 9.766 143 HH22 ARG 28 2HH2 ARG 28 -8.122 -12.757 11.510 144 H ALA 29 H ALA 29 -4.683 -5.272 6.693 145 HA ALA 29 HA ALA 29 -7.550 -5.375 6.060 146 HB1 ALA 29 1HB ALA 29 -7.247 -2.937 5.783 147 HB2 ALA 29 2HB ALA 29 -6.596 -3.520 7.325 148 HB3 ALA 29 3HB ALA 29 -5.488 -3.124 5.987 149 H LEU 30 H LEU 30 -4.512 -5.019 4.216 150 HA LEU 30 HA LEU 30 -5.713 -4.197 1.793 151 HB3 LEU 30 2HB LEU 30 -3.022 -5.511 2.347 152 HG LEU 30 HG LEU 30 -3.242 -5.244 -0.085 153 HD11 LEU 30 1HD1 LEU 30 -3.938 -2.332 0.540 154 HD12 LEU 30 2HD1 LEU 30 -5.005 -3.531 -0.228 155 HD13 LEU 30 3HD1 LEU 30 -3.561 -2.972 -1.075 156 HD21 LEU 30 3HD2 LEU 30 -1.563 -3.068 1.258 157 HD22 LEU 30 1HD2 LEU 30 -1.329 -3.661 -0.393 158 HD23 LEU 30 2HD2 LEU 30 -1.075 -4.752 0.986 159 H GLU 31 H GLU 31 -5.558 -7.416 3.075 160 HA GLU 31 HA GLU 31 -6.274 -8.679 0.512 161 HB3 GLU 31 2HB GLU 31 -4.993 -10.022 2.074 162 HG3 GLU 31 2HG GLU 31 -7.260 -9.463 4.026 163 H ARG 32 H ARG 32 -7.957 -6.770 2.731 164 HA ARG 32 HA ARG 32 -10.575 -8.061 2.156 165 HB3 ARG 32 2HB ARG 32 -11.422 -6.573 3.988 166 HG3 ARG 32 2HG ARG 32 -9.205 -8.570 4.570 167 HD3 ARG 32 2HD ARG 32 -11.038 -7.232 6.585 168 HE ARG 32 HE ARG 32 -9.960 -9.776 6.729 169 HH11 ARG 32 1HH1 ARG 32 -9.271 -6.801 8.543 170 HH12 ARG 32 2HH1 ARG 32 -8.802 -7.689 9.977 171 HH21 ARG 32 1HH2 ARG 32 -9.518 -10.823 8.668 172 HH22 ARG 32 2HH2 ARG 32 -9.167 -9.905 10.097 173 H LEU 33 H LEU 33 -8.883 -4.876 1.957 174 HA LEU 33 HA LEU 33 -10.873 -3.252 0.877 175 HB3 LEU 33 2HB LEU 33 -9.139 -2.005 -0.290 176 HG LEU 33 HG LEU 33 -7.705 -3.075 2.154 177 HD11 LEU 33 1HD1 LEU 33 -7.523 -0.365 0.803 178 HD12 LEU 33 2HD1 LEU 33 -6.384 -1.699 0.539 179 HD13 LEU 33 3HD1 LEU 33 -6.532 -0.965 2.146 180 HD21 LEU 33 3HD2 LEU 33 -8.649 -1.156 3.398 181 HD22 LEU 33 1HD2 LEU 33 -9.894 -2.320 2.921 182 HD23 LEU 33 2HD2 LEU 33 -9.709 -0.792 2.019 183 H LYS 34 H LYS 34 -11.981 -2.993 -1.046 184 HA LYS 34 HA LYS 34 -12.023 -5.215 -2.852 185 HB3 LYS 34 2HB LYS 34 -13.963 -3.737 -2.320 186 HG3 LYS 34 2HG LYS 34 -12.474 -1.794 -4.134 187 HD3 LYS 34 2HD LYS 34 -15.465 -1.874 -3.619 188 HE3 LYS 34 2HE LYS 34 -13.664 0.003 -5.224 189 HZ1 LYS 34 3HZ LYS 34 -15.758 1.084 -5.811 190 HZ2 LYS 34 1HZ LYS 34 -16.614 -0.062 -5.028 191 HZ3 LYS 34 2HZ LYS 34 -15.739 -0.463 -6.377 192 H GLY 35 H GLY 35 -11.802 -5.087 -5.260 193 HA2 GLY 35 2HA GLY 35 -10.770 -4.554 -7.251 194 HA3 GLY 35 3HA GLY 35 -10.250 -3.021 -6.520 195 H VAL 36 H VAL 36 -8.602 -4.097 -4.471 196 HA VAL 36 HA VAL 36 -6.122 -4.758 -5.736 197 HB VAL 36 HB VAL 36 -7.019 -5.123 -2.852 198 HG11 VAL 36 1HG1 VAL 36 -4.580 -5.088 -2.284 199 HG12 VAL 36 2HG1 VAL 36 -5.029 -6.518 -3.204 200 HG13 VAL 36 3HG1 VAL 36 -4.194 -5.173 -4.013 201 HG21 VAL 36 3HG2 VAL 36 -7.108 -2.768 -3.601 202 HG22 VAL 36 1HG2 VAL 36 -5.847 -3.031 -2.401 203 HG23 VAL 36 2HG2 VAL 36 -5.408 -2.871 -4.113 204 H ALA 37 H ALA 37 -5.134 -6.659 -6.161 205 HA ALA 37 HA ALA 37 -6.600 -9.236 -5.610 206 HB1 ALA 37 1HB ALA 37 -4.855 -8.461 -7.975 207 HB2 ALA 37 2HB ALA 37 -5.757 -9.976 -7.785 208 HB3 ALA 37 3HB ALA 37 -6.640 -8.448 -7.980 209 H GLU 38 H GLU 38 -3.406 -7.667 -5.482 210 HA GLU 38 HA GLU 38 -2.376 -9.790 -3.851 211 HB3 GLU 38 2HB GLU 38 -1.091 -9.449 -6.585 212 HG3 GLU 38 2HG GLU 38 -0.347 -11.105 -4.140 213 H ALA 39 H ALA 39 -0.720 -9.016 -2.500 214 HA ALA 39 HA ALA 39 0.839 -6.664 -3.266 215 HB1 ALA 39 1HB ALA 39 -1.086 -6.531 -0.901 216 HB2 ALA 39 2HB ALA 39 0.033 -5.257 -1.450 217 HB3 ALA 39 3HB ALA 39 -1.349 -5.722 -2.457 218 H SER 40 H SER 40 2.480 -6.088 -1.668 219 HA SER 40 HA SER 40 2.981 -7.898 0.605 220 HB3 SER 40 2HB SER 40 3.877 -9.358 -0.954 221 HG SER 40 HG SER 40 5.586 -8.424 -2.461 222 H VAL 41 H VAL 41 3.791 -6.771 2.235 223 HA VAL 41 HA VAL 41 5.250 -4.205 1.777 224 HB VAL 41 HB VAL 41 4.306 -5.506 4.373 225 HG11 VAL 41 1HG1 VAL 41 5.665 -2.815 3.890 226 HG12 VAL 41 2HG1 VAL 41 4.888 -3.308 5.410 227 HG13 VAL 41 3HG1 VAL 41 6.310 -4.173 4.838 228 HG21 VAL 41 3HG2 VAL 41 2.457 -4.572 2.953 229 HG22 VAL 41 1HG2 VAL 41 2.671 -3.706 4.482 230 HG23 VAL 41 2HG2 VAL 41 3.281 -3.001 2.977 231 H THR 42 H THR 42 7.402 -4.151 1.747 232 HA THR 42 HA THR 42 9.020 -6.494 2.604 233 HB THR 42 HB THR 42 10.013 -3.986 1.223 234 HG1 THR 42 1HG THR 42 8.943 -6.333 0.028 235 HG21 THR 42 3HG2 THR 42 11.672 -5.580 0.293 236 HG22 THR 42 1HG2 THR 42 10.948 -6.894 1.242 237 HG23 THR 42 2HG2 THR 42 11.741 -5.527 2.063 238 H VAL 43 H VAL 43 9.384 -6.435 4.750 239 HA VAL 43 HA VAL 43 8.871 -4.087 6.250 240 HB VAL 43 HB VAL 43 10.128 -6.704 7.163 241 HG11 VAL 43 1HG1 VAL 43 8.871 -4.465 8.818 242 HG12 VAL 43 2HG1 VAL 43 9.256 -6.090 9.428 243 HG13 VAL 43 3HG1 VAL 43 10.555 -5.025 8.909 244 HG21 VAL 43 3HG2 VAL 43 7.880 -6.978 6.169 245 HG22 VAL 43 1HG2 VAL 43 7.779 -7.173 7.921 246 HG23 VAL 43 2HG2 VAL 43 7.260 -5.652 7.167 247 H ALA 44 H ALA 44 12.030 -5.393 5.244 248 HA ALA 44 HA ALA 44 13.763 -4.098 6.984 249 HB1 ALA 44 1HB ALA 44 15.407 -4.253 5.125 250 HB2 ALA 44 2HB ALA 44 14.464 -5.741 5.302 251 HB3 ALA 44 3HB ALA 44 14.087 -4.600 3.989 252 H THR 45 H THR 45 12.252 -2.623 4.111 253 HA THR 45 HA THR 45 13.188 0.076 5.004 254 HB THR 45 HB THR 45 13.190 0.627 2.517 255 HG1 THR 45 1HG THR 45 13.652 -1.476 1.357 256 HG21 THR 45 3HG2 THR 45 15.162 -1.537 3.390 257 HG22 THR 45 1HG2 THR 45 15.255 0.165 3.885 258 HG23 THR 45 2HG2 THR 45 15.417 -0.262 2.181 259 H GLY 46 H GLY 46 10.448 -1.783 4.658 260 HA2 GLY 46 2HA GLY 46 8.285 -1.206 5.166 261 HA3 GLY 46 3HA GLY 46 8.732 0.518 5.162 262 H ARG 47 H ARG 47 9.691 -1.003 2.299 263 HA ARG 47 HA ARG 47 7.854 0.638 0.761 264 HB3 ARG 47 2HB ARG 47 10.239 0.489 0.198 265 HG3 ARG 47 2HG ARG 47 9.636 -2.373 -0.669 266 HD3 ARG 47 2HD ARG 47 12.194 -0.721 -0.811 267 HE ARG 47 HE ARG 47 12.997 -2.910 -0.842 268 HH11 ARG 47 1HH1 ARG 47 10.189 -2.810 -3.048 269 HH12 ARG 47 2HH1 ARG 47 10.693 -4.279 -3.839 270 HH21 ARG 47 1HH2 ARG 47 13.399 -4.849 -1.731 271 HH22 ARG 47 2HH2 ARG 47 12.393 -5.487 -3.022 272 H LEU 48 H LEU 48 6.733 -0.185 -1.144 273 HA LEU 48 HA LEU 48 5.291 -2.736 -0.514 274 HB3 LEU 48 2HB LEU 48 3.437 -0.903 -1.637 275 HG LEU 48 HG LEU 48 4.012 -1.660 1.252 276 HD11 LEU 48 1HD1 LEU 48 2.897 0.521 1.234 277 HD12 LEU 48 2HD1 LEU 48 1.727 -0.717 1.724 278 HD13 LEU 48 3HD1 LEU 48 1.691 -0.065 0.070 279 HD21 LEU 48 3HD2 LEU 48 1.913 -3.024 0.949 280 HD22 LEU 48 1HD2 LEU 48 3.157 -3.507 -0.208 281 HD23 LEU 48 2HD2 LEU 48 1.812 -2.487 -0.736 282 H THR 49 H THR 49 4.164 -3.722 -2.075 283 HA THR 49 HA THR 49 4.385 -3.032 -4.967 284 HB THR 49 HB THR 49 4.802 -5.836 -3.832 285 HG1 THR 49 1HG THR 49 6.630 -4.659 -3.499 286 HG21 THR 49 3HG2 THR 49 3.724 -5.840 -6.055 287 HG22 THR 49 1HG2 THR 49 5.397 -6.389 -6.181 288 HG23 THR 49 2HG2 THR 49 4.965 -4.739 -6.685 289 H VAL 50 H VAL 50 2.403 -3.259 -5.885 290 HA VAL 50 HA VAL 50 0.298 -4.877 -4.584 291 HB VAL 50 HB VAL 50 0.203 -2.791 -3.322 292 HG11 VAL 50 1HG1 VAL 50 1.113 -1.203 -5.001 293 HG12 VAL 50 2HG1 VAL 50 -0.393 -1.339 -5.935 294 HG13 VAL 50 3HG1 VAL 50 -0.413 -0.649 -4.304 295 HG21 VAL 50 3HG2 VAL 50 -2.199 -2.966 -5.185 296 HG22 VAL 50 1HG2 VAL 50 -1.910 -4.023 -3.795 297 HG23 VAL 50 2HG2 VAL 50 -2.153 -2.287 -3.549 298 H THR 51 H THR 51 -1.306 -5.508 -5.892 299 HA THR 51 HA THR 51 -1.431 -4.622 -8.749 300 HB THR 51 HB THR 51 -1.895 -7.384 -7.502 301 HG1 THR 51 1HG THR 51 0.244 -6.973 -7.970 302 HG21 THR 51 3HG2 THR 51 -2.368 -8.117 -9.838 303 HG22 THR 51 1HG2 THR 51 -2.277 -6.437 -10.410 304 HG23 THR 51 2HG2 THR 51 -3.579 -6.944 -9.325 305 H TYR 52 H TYR 52 -3.324 -3.669 -9.263 306 HA TYR 52 HA TYR 52 -5.847 -4.497 -8.013 307 HB3 TYR 52 2HB TYR 52 -4.911 -2.821 -6.438 308 HD1 TYR 52 2HD TYR 52 -6.531 -0.606 -8.963 309 HD2 TYR 52 1HD TYR 52 -2.977 -1.390 -6.668 310 HE1 TYR 52 2HE TYR 52 -5.595 1.577 -9.677 311 HE2 TYR 52 1HE TYR 52 -2.080 0.846 -7.296 312 HH TYR 52 HH TYR 52 -2.421 2.786 -8.562 313 H ASP 53 H ASP 53 -7.793 -3.406 -8.986 314 HA ASP 53 HA ASP 53 -7.484 -3.043 -11.876 315 HB3 ASP 53 2HB ASP 53 -9.874 -3.390 -10.052 316 HA PRO 54 HA PRO 54 -7.387 1.349 -11.043 317 HB3 PRO 54 2HB PRO 54 -5.826 1.403 -12.734 318 HG3 PRO 54 2HG PRO 54 -6.085 0.095 -14.727 319 HD3 PRO 54 2HD PRO 54 -6.182 -1.407 -12.910 320 H LYS 55 H LYS 55 -10.123 -0.142 -11.827 321 HA LYS 55 HA LYS 55 -11.671 2.357 -12.539 322 HB3 LYS 55 2HB LYS 55 -13.264 0.871 -13.704 323 HG3 LYS 55 2HG LYS 55 -10.416 0.591 -14.761 324 HD3 LYS 55 2HD LYS 55 -13.114 0.222 -16.130 325 HE3 LYS 55 2HE LYS 55 -11.531 1.200 -17.737 326 HZ1 LYS 55 3HZ LYS 55 -9.565 -0.370 -18.267 327 HZ2 LYS 55 1HZ LYS 55 -9.759 -0.957 -16.764 328 HZ3 LYS 55 2HZ LYS 55 -9.398 0.638 -16.993 329 H GLN 56 H GLN 56 -11.821 -0.821 -10.855 330 HA GLN 56 HA GLN 56 -13.968 -0.038 -9.055 331 HB3 GLN 56 2HB GLN 56 -12.789 -1.854 -7.566 332 HG3 GLN 56 2HG GLN 56 -13.517 -3.733 -9.081 333 HE21 GLN 56 1HE2 GLN 56 -16.004 -3.827 -9.948 334 HE22 GLN 56 2HE2 GLN 56 -17.146 -3.127 -8.801 335 H VAL 57 H VAL 57 -10.387 0.479 -8.941 336 HA VAL 57 HA VAL 57 -10.800 2.475 -6.823 337 HB VAL 57 HB VAL 57 -9.111 1.588 -5.311 338 HG11 VAL 57 1HG1 VAL 57 -11.264 -0.522 -5.688 339 HG12 VAL 57 2HG1 VAL 57 -10.345 -0.182 -4.221 340 HG13 VAL 57 3HG1 VAL 57 -11.474 1.031 -4.834 341 HG21 VAL 57 3HG2 VAL 57 -7.765 0.195 -6.841 342 HG22 VAL 57 1HG2 VAL 57 -8.302 -0.755 -5.455 343 HG23 VAL 57 2HG2 VAL 57 -9.112 -0.949 -7.023 344 H SER 58 H SER 58 -8.476 3.348 -6.155 345 HA SER 58 HA SER 58 -6.402 2.974 -8.181 346 HB3 SER 58 2HB SER 58 -7.738 4.934 -8.984 347 HG SER 58 HG SER 58 -6.511 6.603 -7.136 348 H GLU 59 H GLU 59 -4.449 4.624 -7.294 349 HA GLU 59 HA GLU 59 -3.364 3.588 -4.963 350 HB3 GLU 59 2HB GLU 59 -1.831 4.727 -6.137 351 HG3 GLU 59 2HG GLU 59 -3.127 5.949 -7.767 352 H ILE 60 H ILE 60 -5.662 6.275 -5.135 353 HA ILE 60 HA ILE 60 -5.771 7.286 -2.554 354 HB ILE 60 HB ILE 60 -7.839 6.537 -4.627 355 HG13 ILE 60 2HG1 ILE 60 -8.140 8.881 -4.934 356 HG21 ILE 60 1HG2 ILE 60 -9.166 6.128 -2.732 357 HG22 ILE 60 2HG2 ILE 60 -8.562 7.578 -1.884 358 HG23 ILE 60 3HG2 ILE 60 -9.615 7.727 -3.320 359 HD11 ILE 60 3HD1 ILE 60 -7.908 9.788 -2.634 360 HD12 ILE 60 1HD1 ILE 60 -6.167 9.422 -2.667 361 HD13 ILE 60 2HD1 ILE 60 -6.848 10.611 -3.784 362 H THR 61 H THR 61 -7.058 4.097 -3.531 363 HA THR 61 HA THR 61 -8.381 3.570 -1.042 364 HB THR 61 HB THR 61 -7.520 1.895 -3.406 365 HG1 THR 61 1HG THR 61 -9.314 3.173 -3.642 366 HG21 THR 61 3HG2 THR 61 -8.928 0.875 -0.891 367 HG22 THR 61 1HG2 THR 61 -7.399 0.275 -1.579 368 HG23 THR 61 2HG2 THR 61 -8.908 0.034 -2.455 369 H ILE 62 H ILE 62 -5.047 2.895 -2.060 370 HA ILE 62 HA ILE 62 -4.541 1.565 0.570 371 HB ILE 62 HB ILE 62 -3.691 0.545 -1.544 372 HG13 ILE 62 2HG1 ILE 62 -2.877 -0.036 0.677 373 HG21 ILE 62 1HG2 ILE 62 -2.974 2.573 -2.741 374 HG22 ILE 62 2HG2 ILE 62 -1.672 2.829 -1.551 375 HG23 ILE 62 3HG2 ILE 62 -1.678 1.407 -2.616 376 HD11 ILE 62 3HD1 ILE 62 -0.736 -1.007 0.153 377 HD12 ILE 62 1HD1 ILE 62 -1.762 -1.132 -1.291 378 HD13 ILE 62 2HD1 ILE 62 -0.480 0.102 -1.198 379 H GLN 63 H GLN 63 -3.879 4.632 -1.080 380 HA GLN 63 HA GLN 63 -2.112 5.781 0.800 381 HB3 GLN 63 2HB GLN 63 -4.449 7.211 -0.550 382 HG3 GLN 63 2HG GLN 63 -1.857 8.512 -0.593 383 HE21 GLN 63 1HE2 GLN 63 -3.576 9.676 -1.913 384 HE22 GLN 63 2HE2 GLN 63 -4.390 10.970 -1.027 385 H GLU 64 H GLU 64 -5.713 5.865 0.795 386 HA GLU 64 HA GLU 64 -5.993 7.218 3.268 387 HB3 GLU 64 2HB GLU 64 -8.366 6.212 3.131 388 HG3 GLU 64 2HG GLU 64 -8.818 7.222 0.780 389 H ARG 65 H ARG 65 -5.166 3.904 2.723 390 HA ARG 65 HA ARG 65 -5.862 3.025 5.457 391 HB3 ARG 65 2HB ARG 65 -4.433 1.646 3.144 392 HG3 ARG 65 2HG ARG 65 -3.704 0.517 5.131 393 HD3 ARG 65 2HD ARG 65 -5.241 1.094 6.868 394 HE ARG 65 HE ARG 65 -7.323 0.961 5.199 395 HH11 ARG 65 1HH1 ARG 65 -6.827 -1.036 8.129 396 HH12 ARG 65 2HH1 ARG 65 -8.555 -1.151 8.345 397 HH21 ARG 65 1HH2 ARG 65 -9.384 0.682 5.530 398 HH22 ARG 65 2HH2 ARG 65 -9.998 -0.327 6.829 399 H ILE 66 H ILE 66 -2.872 3.658 3.513 400 HA ILE 66 HA ILE 66 -1.041 3.166 5.717 401 HB ILE 66 HB ILE 66 -0.689 4.810 3.173 402 HG13 ILE 66 2HG1 ILE 66 -1.184 2.186 3.061 403 HG21 ILE 66 1HG2 ILE 66 1.375 3.698 5.136 404 HG22 ILE 66 2HG2 ILE 66 1.784 4.444 3.577 405 HG23 ILE 66 3HG2 ILE 66 1.038 5.422 4.831 406 HD11 ILE 66 3HD1 ILE 66 -0.500 3.418 1.087 407 HD12 ILE 66 1HD1 ILE 66 1.199 3.437 1.629 408 HD13 ILE 66 2HD1 ILE 66 0.416 1.910 1.204 409 H ALA 67 H ALA 67 -2.508 6.204 4.499 410 HA ALA 67 HA ALA 67 -1.105 7.933 6.247 411 HB1 ALA 67 1HB ALA 67 -2.822 9.572 5.557 412 HB2 ALA 67 2HB ALA 67 -2.231 8.634 4.175 413 HB3 ALA 67 3HB ALA 67 -3.819 8.264 4.885 414 H ALA 68 H ALA 68 -4.173 6.152 6.750 415 HA ALA 68 HA ALA 68 -4.979 7.655 9.105 416 HB1 ALA 68 1HB ALA 68 -6.776 5.943 9.185 417 HB2 ALA 68 2HB ALA 68 -6.596 6.617 7.558 418 HB3 ALA 68 3HB ALA 68 -5.950 5.003 7.922 419 H LEU 69 H LEU 69 -3.373 4.547 8.518 420 HA LEU 69 HA LEU 69 -3.115 3.702 11.280 421 HB3 LEU 69 2HB LEU 69 -1.187 2.365 10.092 422 HG LEU 69 HG LEU 69 -2.888 0.792 9.087 423 HD11 LEU 69 1HD1 LEU 69 -3.386 1.667 11.961 424 HD12 LEU 69 2HD1 LEU 69 -2.078 0.602 11.406 425 HD13 LEU 69 3HD1 LEU 69 -3.771 0.089 11.257 426 HD21 LEU 69 3HD2 LEU 69 -4.723 2.457 8.586 427 HD22 LEU 69 1HD2 LEU 69 -5.008 2.599 10.327 428 HD23 LEU 69 2HD2 LEU 69 -5.244 1.046 9.512 429 H GLY 70 H GLY 70 -1.433 6.115 9.393 430 HA2 GLY 70 2HA GLY 70 -0.691 7.942 10.800 431 HA3 GLY 70 3HA GLY 70 0.144 6.792 11.861 432 H TYR 71 H TYR 71 0.455 6.237 8.443 433 HA TYR 71 HA TYR 71 3.283 7.230 8.526 434 HB3 TYR 71 2HB TYR 71 3.917 5.252 7.393 435 HD1 TYR 71 1HD TYR 71 3.741 5.590 10.290 436 HD2 TYR 71 2HD TYR 71 1.556 2.884 7.743 437 HE1 TYR 71 1HE TYR 71 3.143 4.227 12.267 438 HE2 TYR 71 2HE TYR 71 1.012 1.471 9.718 439 HH TYR 71 HH TYR 71 1.780 2.568 13.037 440 H THR 72 H THR 72 3.967 6.982 5.822 441 HA THR 72 HA THR 72 1.877 8.270 4.204 442 HB THR 72 HB THR 72 2.943 10.148 5.487 443 HG1 THR 72 1HG THR 72 3.516 11.136 3.221 444 HG21 THR 72 3HG2 THR 72 5.376 9.650 3.709 445 HG22 THR 72 1HG2 THR 72 5.314 9.296 5.450 446 HG23 THR 72 2HG2 THR 72 5.130 10.959 4.886 447 H LEU 73 H LEU 73 2.914 8.854 1.938 448 HA LEU 73 HA LEU 73 4.669 6.620 1.062 449 HB3 LEU 73 2HB LEU 73 2.179 5.998 1.055 450 HG LEU 73 HG LEU 73 2.156 7.675 -1.502 451 HD11 LEU 73 1HD1 LEU 73 -0.139 6.808 -1.750 452 HD12 LEU 73 2HD1 LEU 73 0.067 5.824 -0.282 453 HD13 LEU 73 3HD1 LEU 73 1.053 5.502 -1.725 454 HD21 LEU 73 3HD2 LEU 73 1.691 9.156 0.455 455 HD22 LEU 73 1HD2 LEU 73 0.409 8.042 0.976 456 HD23 LEU 73 2HD2 LEU 73 0.292 8.933 -0.566 457 H ALA 74 H ALA 74 5.448 6.707 -1.086 458 HA ALA 74 HA ALA 74 4.925 9.152 -2.693 459 HB1 ALA 74 1HB ALA 74 7.323 9.227 -3.337 460 HB2 ALA 74 2HB ALA 74 7.100 9.538 -1.604 461 HB3 ALA 74 3HB ALA 74 7.683 7.952 -2.154 462 H GLU 75 H GLU 75 3.739 8.254 -4.277 463 HA GLU 75 HA GLU 75 4.714 5.780 -5.668 464 HB3 GLU 75 2HB GLU 75 1.837 6.588 -5.094 465 HG3 GLU 75 2HG GLU 75 1.480 4.114 -5.603 466 HA PRO 76 HA PRO 76 4.866 9.593 -8.168 467 HB3 PRO 76 2HB PRO 76 7.130 9.506 -7.637 468 HG3 PRO 76 2HG PRO 76 8.383 7.449 -7.799 469 HD3 PRO 76 2HD PRO 76 6.669 7.173 -6.217 Start of MODEL 6 1 H2 PRO 6 2H PRO 6 -8.255 -2.195 -16.591 2 HA PRO 6 HA PRO 6 -8.284 -4.901 -15.464 3 HB3 PRO 6 2HB PRO 6 -6.902 -5.671 -17.185 4 HG3 PRO 6 2HG PRO 6 -8.743 -5.398 -18.594 5 HD3 PRO 6 2HD PRO 6 -10.154 -4.382 -17.113 6 H LEU 7 H LEU 7 -6.870 -5.308 -13.946 7 HA LEU 7 HA LEU 7 -5.562 -3.167 -12.585 8 HB3 LEU 7 2HB LEU 7 -6.852 -4.958 -11.504 9 HG LEU 7 HG LEU 7 -4.439 -6.780 -11.869 10 HD11 LEU 7 1HD1 LEU 7 -5.726 -6.808 -9.696 11 HD12 LEU 7 2HD1 LEU 7 -5.753 -8.356 -10.567 12 HD13 LEU 7 3HD1 LEU 7 -7.169 -7.283 -10.603 13 HD21 LEU 7 3HD2 LEU 7 -7.190 -7.096 -13.142 14 HD22 LEU 7 1HD2 LEU 7 -5.984 -8.394 -13.001 15 HD23 LEU 7 2HD2 LEU 7 -5.622 -6.977 -13.983 16 H LYS 8 H LYS 8 -3.469 -2.918 -11.881 17 HA LYS 8 HA LYS 8 -1.326 -4.241 -13.491 18 HB3 LYS 8 2HB LYS 8 -1.314 -2.267 -14.561 19 HG3 LYS 8 2HG LYS 8 -3.026 -0.958 -13.437 20 HD3 LYS 8 2HD LYS 8 -2.331 -1.010 -11.061 21 HE3 LYS 8 2HE LYS 8 0.197 -0.582 -11.463 22 HZ1 LYS 8 3HZ LYS 8 0.483 1.945 -10.972 23 HZ2 LYS 8 1HZ LYS 8 -0.898 2.138 -11.833 24 HZ3 LYS 8 2HZ LYS 8 0.425 1.449 -12.537 25 H THR 9 H THR 9 0.363 -5.051 -12.448 26 HA THR 9 HA THR 9 0.601 -4.858 -9.507 27 HB THR 9 HB THR 9 2.332 -6.325 -11.536 28 HG1 THR 9 1HG THR 9 0.246 -7.295 -9.889 29 HG21 THR 9 3HG2 THR 9 2.838 -7.775 -9.529 30 HG22 THR 9 1HG2 THR 9 2.082 -6.541 -8.503 31 HG23 THR 9 2HG2 THR 9 3.535 -6.151 -9.452 32 H GLN 10 H GLN 10 2.274 -3.733 -8.390 33 HA GLN 10 HA GLN 10 4.425 -2.489 -9.859 34 HB3 GLN 10 2HB GLN 10 2.244 -0.693 -8.655 35 HG3 GLN 10 2HG GLN 10 4.356 0.517 -8.821 36 HE21 GLN 10 1HE2 GLN 10 3.612 0.027 -12.299 37 HE22 GLN 10 2HE2 GLN 10 5.202 -0.585 -12.713 38 H GLN 11 H GLN 11 5.975 -1.471 -8.543 39 HA GLN 11 HA GLN 11 5.937 -2.090 -5.645 40 HB3 GLN 11 2HB GLN 11 8.269 -1.018 -5.833 41 HG3 GLN 11 2HG GLN 11 7.801 -3.572 -7.401 42 HE21 GLN 11 1HE2 GLN 11 9.608 -2.555 -8.820 43 HE22 GLN 11 2HE2 GLN 11 11.258 -2.759 -8.222 44 H MET 12 H MET 12 5.980 -0.554 -4.064 45 HA MET 12 HA MET 12 5.361 2.292 -4.720 46 HB3 MET 12 2HB MET 12 3.865 0.162 -3.171 47 HG3 MET 12 2HG MET 12 3.556 3.149 -2.726 48 HE1 MET 12 3HE MET 12 1.179 3.610 -3.503 49 HE2 MET 12 1HE MET 12 1.170 2.023 -4.318 50 HE3 MET 12 2HE MET 12 -0.194 2.512 -3.304 51 H GLN 13 H GLN 13 6.630 3.642 -3.628 52 HA GLN 13 HA GLN 13 8.264 2.804 -1.338 53 HB3 GLN 13 2HB GLN 13 8.865 5.297 -1.388 54 HG3 GLN 13 2HG GLN 13 10.024 5.307 -3.609 55 HE21 GLN 13 1HE2 GLN 13 11.344 5.293 -1.468 56 HE22 GLN 13 2HE2 GLN 13 12.090 3.769 -1.020 57 H VAL 14 H VAL 14 7.848 3.328 0.827 58 HA VAL 14 HA VAL 14 5.411 4.868 1.535 59 HB VAL 14 HB VAL 14 5.823 1.924 2.016 60 HG11 VAL 14 1HG1 VAL 14 4.240 3.628 3.991 61 HG12 VAL 14 2HG1 VAL 14 4.236 1.861 3.890 62 HG13 VAL 14 3HG1 VAL 14 5.712 2.706 4.351 63 HG21 VAL 14 3HG2 VAL 14 3.298 3.578 1.638 64 HG22 VAL 14 1HG2 VAL 14 4.208 2.806 0.334 65 HG23 VAL 14 2HG2 VAL 14 3.444 1.811 1.580 66 H GLY 15 H GLY 15 5.526 5.880 3.470 67 HA2 GLY 15 2HA GLY 15 8.166 5.804 4.924 68 HA3 GLY 15 3HA GLY 15 7.192 7.262 4.682 69 H GLY 16 H GLY 16 8.119 5.455 7.049 70 HA2 GLY 16 2HA GLY 16 7.379 5.708 9.278 71 HA3 GLY 16 3HA GLY 16 5.715 5.973 8.713 72 H MET 17 H MET 17 6.174 3.377 6.998 73 HA MET 17 HA MET 17 5.062 1.518 8.969 74 HB3 MET 17 2HB MET 17 5.931 0.974 6.102 75 HG3 MET 17 2HG MET 17 3.808 -0.261 7.906 76 HE1 MET 17 3HE MET 17 4.612 -1.811 3.618 77 HE2 MET 17 1HE MET 17 5.493 -0.403 4.233 78 HE3 MET 17 2HE MET 17 5.697 -1.997 5.007 79 H ARG 18 H ARG 18 8.210 2.240 7.772 80 HA ARG 18 HA ARG 18 9.664 -0.101 8.554 81 HB3 ARG 18 2HB ARG 18 10.572 2.801 8.321 82 HG3 ARG 18 2HG ARG 18 12.098 0.203 7.819 83 HD3 ARG 18 2HD ARG 18 13.012 3.118 7.717 84 HE ARG 18 HE ARG 18 14.686 1.066 8.007 85 HH11 ARG 18 1HH1 ARG 18 14.001 2.976 5.109 86 HH12 ARG 18 2HH1 ARG 18 15.480 2.506 4.315 87 HH21 ARG 18 1HH2 ARG 18 16.676 0.667 7.013 88 HH22 ARG 18 2HH2 ARG 18 16.934 1.138 5.348 89 H CYS 19 H CYS 19 9.047 -0.760 10.576 90 HA CYS 19 HA CYS 19 10.099 0.167 13.035 91 HB3 CYS 19 2HB CYS 19 7.168 0.924 12.588 92 HG CYS 19 HG CYS 19 7.102 2.152 14.847 93 H ALA 20 H ALA 20 9.477 -1.329 14.784 94 HA ALA 20 HA ALA 20 9.242 -3.936 13.859 95 HB1 ALA 20 1HB ALA 20 9.023 -4.568 16.237 96 HB2 ALA 20 2HB ALA 20 10.264 -3.332 15.966 97 HB3 ALA 20 3HB ALA 20 8.684 -2.870 16.649 98 H ALA 21 H ALA 21 7.739 -5.120 13.112 99 HA ALA 21 HA ALA 21 5.851 -6.259 12.693 100 HB1 ALA 21 1HB ALA 21 4.626 -4.982 15.171 101 HB2 ALA 21 2HB ALA 21 4.074 -6.424 14.315 102 HB3 ALA 21 3HB ALA 21 5.634 -6.454 15.163 103 H CYS 22 H CYS 22 5.969 -2.931 12.399 104 HA CYS 22 HA CYS 22 3.223 -2.267 12.315 105 HB3 CYS 22 2HB CYS 22 4.195 -0.140 11.194 106 HG CYS 22 HG CYS 22 5.534 -1.469 13.966 107 H ALA 23 H ALA 23 5.111 -3.597 9.655 108 HA ALA 23 HA ALA 23 3.272 -2.913 7.582 109 HB1 ALA 23 1HB ALA 23 5.080 -5.352 7.860 110 HB2 ALA 23 2HB ALA 23 4.412 -4.663 6.366 111 HB3 ALA 23 3HB ALA 23 5.611 -3.752 7.285 112 H SER 24 H SER 24 2.927 -5.333 10.190 113 HA SER 24 HA SER 24 0.976 -6.929 8.717 114 HB3 SER 24 2HB SER 24 2.337 -7.790 10.620 115 HG SER 24 HG SER 24 1.662 -7.406 12.675 116 H SER 25 H SER 25 0.793 -3.912 10.318 117 HA SER 25 HA SER 25 -2.090 -3.861 10.773 118 HB3 SER 25 2HB SER 25 -1.760 -1.685 11.592 119 HG SER 25 HG SER 25 0.420 -1.706 12.626 120 H ILE 26 H ILE 26 -0.049 -3.440 8.067 121 HA ILE 26 HA ILE 26 -2.255 -2.223 6.425 122 HB ILE 26 HB ILE 26 0.741 -2.468 6.090 123 HG13 ILE 26 2HG1 ILE 26 -1.212 -0.264 5.287 124 HG21 ILE 26 1HG2 ILE 26 -1.172 -2.262 3.729 125 HG22 ILE 26 2HG2 ILE 26 0.580 -1.964 3.685 126 HG23 ILE 26 3HG2 ILE 26 -0.009 -3.574 4.046 127 HD11 ILE 26 3HD1 ILE 26 -1.102 -0.236 7.719 128 HD12 ILE 26 1HD1 ILE 26 0.677 -0.376 7.676 129 HD13 ILE 26 2HD1 ILE 26 -0.125 1.090 7.067 130 H GLU 27 H GLU 27 -0.083 -5.098 6.596 131 HA GLU 27 HA GLU 27 -1.275 -6.124 4.237 132 HB3 GLU 27 2HB GLU 27 0.280 -7.974 6.032 133 HG3 GLU 27 2HG GLU 27 0.358 -7.259 3.054 134 H ARG 28 H ARG 28 -2.212 -6.722 7.643 135 HA ARG 28 HA ARG 28 -3.704 -9.125 7.033 136 HB3 ARG 28 2HB ARG 28 -4.184 -7.105 9.257 137 HG3 ARG 28 2HG ARG 28 -5.075 -10.010 8.929 138 HD3 ARG 28 2HD ARG 28 -5.483 -8.049 11.223 139 HE ARG 28 HE ARG 28 -7.029 -10.366 10.453 140 HH11 ARG 28 1HH1 ARG 28 -5.837 -8.780 13.428 141 HH12 ARG 28 2HH1 ARG 28 -7.222 -9.403 14.321 142 HH21 ARG 28 1HH2 ARG 28 -8.682 -11.060 11.726 143 HH22 ARG 28 2HH2 ARG 28 -8.679 -10.706 13.450 144 H ALA 29 H ALA 29 -4.672 -5.672 6.956 145 HA ALA 29 HA ALA 29 -7.385 -6.161 6.082 146 HB1 ALA 29 1HB ALA 29 -5.590 -3.697 5.878 147 HB2 ALA 29 2HB ALA 29 -7.361 -3.721 5.675 148 HB3 ALA 29 3HB ALA 29 -6.646 -4.110 7.251 149 H LEU 30 H LEU 30 -4.328 -5.783 4.341 150 HA LEU 30 HA LEU 30 -5.301 -4.844 1.910 151 HB3 LEU 30 2HB LEU 30 -2.841 -6.561 2.438 152 HG LEU 30 HG LEU 30 -2.916 -6.067 0.056 153 HD11 LEU 30 1HD1 LEU 30 -2.914 -3.711 -0.778 154 HD12 LEU 30 2HD1 LEU 30 -3.312 -3.149 0.860 155 HD13 LEU 30 3HD1 LEU 30 -4.456 -4.162 -0.055 156 HD21 LEU 30 3HD2 LEU 30 -0.743 -5.930 1.174 157 HD22 LEU 30 1HD2 LEU 30 -1.048 -4.246 1.657 158 HD23 LEU 30 2HD2 LEU 30 -0.822 -4.644 -0.046 159 H GLU 31 H GLU 31 -5.570 -8.127 3.009 160 HA GLU 31 HA GLU 31 -6.134 -9.224 0.338 161 HB3 GLU 31 2HB GLU 31 -5.101 -10.731 1.791 162 HG3 GLU 31 2HG GLU 31 -7.278 -10.149 3.833 163 H ARG 32 H ARG 32 -7.892 -7.310 2.493 164 HA ARG 32 HA ARG 32 -10.498 -8.263 1.410 165 HB3 ARG 32 2HB ARG 32 -11.416 -7.178 3.560 166 HG3 ARG 32 2HG ARG 32 -9.646 -9.651 3.791 167 HD3 ARG 32 2HD ARG 32 -11.868 -8.539 5.546 168 HE ARG 32 HE ARG 32 -10.558 -11.242 5.619 169 HH11 ARG 32 1HH1 ARG 32 -13.440 -9.305 6.381 170 HH12 ARG 32 2HH1 ARG 32 -14.147 -10.587 7.324 171 HH21 ARG 32 1HH2 ARG 32 -11.565 -12.856 6.757 172 HH22 ARG 32 2HH2 ARG 32 -13.202 -12.637 7.320 173 H LEU 33 H LEU 33 -8.358 -5.554 1.402 174 HA LEU 33 HA LEU 33 -10.256 -3.416 1.178 175 HB3 LEU 33 2HB LEU 33 -8.393 -2.199 0.034 176 HG LEU 33 HG LEU 33 -7.236 -3.676 2.407 177 HD11 LEU 33 1HD1 LEU 33 -5.678 -2.301 1.055 178 HD12 LEU 33 2HD1 LEU 33 -5.899 -1.652 2.689 179 HD13 LEU 33 3HD1 LEU 33 -6.718 -0.887 1.309 180 HD21 LEU 33 3HD2 LEU 33 -9.382 -2.806 3.164 181 HD22 LEU 33 1HD2 LEU 33 -9.029 -1.216 2.438 182 HD23 LEU 33 2HD2 LEU 33 -8.076 -1.815 3.814 183 H LYS 34 H LYS 34 -10.747 -2.117 -0.702 184 HA LYS 34 HA LYS 34 -11.980 -3.786 -2.746 185 HB3 LYS 34 2HB LYS 34 -13.264 -2.059 -1.637 186 HG3 LYS 34 2HG LYS 34 -11.305 -0.051 -2.836 187 HD3 LYS 34 2HD LYS 34 -12.679 1.682 -1.787 188 HE3 LYS 34 2HE LYS 34 -14.422 0.114 -3.728 189 HZ1 LYS 34 3HZ LYS 34 -13.821 3.023 -3.487 190 HZ2 LYS 34 1HZ LYS 34 -15.186 2.317 -2.969 191 HZ3 LYS 34 2HZ LYS 34 -14.829 2.330 -4.585 192 H GLY 35 H GLY 35 -11.650 -3.907 -4.880 193 HA2 GLY 35 2HA GLY 35 -10.744 -3.674 -6.963 194 HA3 GLY 35 3HA GLY 35 -10.261 -2.033 -6.512 195 H VAL 36 H VAL 36 -9.001 -4.856 -4.816 196 HA VAL 36 HA VAL 36 -6.345 -4.543 -6.085 197 HB VAL 36 HB VAL 36 -6.223 -2.868 -4.392 198 HG11 VAL 36 1HG1 VAL 36 -6.446 -3.221 -2.021 199 HG12 VAL 36 2HG1 VAL 36 -7.966 -3.655 -2.806 200 HG13 VAL 36 3HG1 VAL 36 -6.861 -4.926 -2.241 201 HG21 VAL 36 3HG2 VAL 36 -4.173 -4.165 -4.752 202 HG22 VAL 36 1HG2 VAL 36 -4.296 -3.612 -3.079 203 HG23 VAL 36 2HG2 VAL 36 -4.641 -5.307 -3.472 204 H ALA 37 H ALA 37 -5.573 -6.422 -6.529 205 HA ALA 37 HA ALA 37 -6.957 -8.810 -5.410 206 HB1 ALA 37 1HB ALA 37 -7.183 -8.186 -7.807 207 HB2 ALA 37 2HB ALA 37 -5.419 -8.377 -8.002 208 HB3 ALA 37 3HB ALA 37 -6.422 -9.774 -7.595 209 H GLU 38 H GLU 38 -3.631 -7.604 -5.712 210 HA GLU 38 HA GLU 38 -2.586 -10.004 -4.407 211 HB3 GLU 38 2HB GLU 38 -1.423 -9.559 -7.147 212 HG3 GLU 38 2HG GLU 38 -1.310 -12.038 -7.098 213 H ALA 39 H ALA 39 -1.330 -9.065 -2.901 214 HA ALA 39 HA ALA 39 0.746 -7.070 -3.696 215 HB1 ALA 39 1HB ALA 39 -0.102 -5.577 -1.954 216 HB2 ALA 39 2HB ALA 39 -1.422 -5.964 -3.072 217 HB3 ALA 39 3HB ALA 39 -1.340 -6.773 -1.495 218 H SER 40 H SER 40 2.254 -6.529 -1.906 219 HA SER 40 HA SER 40 2.562 -8.472 0.277 220 HB3 SER 40 2HB SER 40 4.708 -8.387 -1.867 221 HG SER 40 HG SER 40 5.734 -9.358 -0.290 222 H VAL 41 H VAL 41 3.458 -7.491 2.018 223 HA VAL 41 HA VAL 41 4.786 -4.861 1.724 224 HB VAL 41 HB VAL 41 4.970 -4.812 4.142 225 HG11 VAL 41 1HG1 VAL 41 2.872 -4.106 3.076 226 HG12 VAL 41 2HG1 VAL 41 2.211 -5.741 3.256 227 HG13 VAL 41 3HG1 VAL 41 2.595 -4.767 4.690 228 HG21 VAL 41 3HG2 VAL 41 3.883 -6.706 5.494 229 HG22 VAL 41 1HG2 VAL 41 4.064 -7.710 4.051 230 HG23 VAL 41 2HG2 VAL 41 5.491 -7.016 4.824 231 H THR 42 H THR 42 6.930 -4.358 2.545 232 HA THR 42 HA THR 42 8.834 -6.678 2.761 233 HB THR 42 HB THR 42 9.484 -3.986 1.548 234 HG1 THR 42 1HG THR 42 9.263 -6.311 0.008 235 HG21 THR 42 3HG2 THR 42 11.456 -5.223 0.665 236 HG22 THR 42 1HG2 THR 42 10.927 -6.680 1.532 237 HG23 THR 42 2HG2 THR 42 11.425 -5.230 2.428 238 H VAL 43 H VAL 43 9.273 -6.745 4.866 239 HA VAL 43 HA VAL 43 8.876 -4.524 6.600 240 HB VAL 43 HB VAL 43 10.115 -7.256 7.055 241 HG11 VAL 43 1HG1 VAL 43 11.034 -5.842 8.838 242 HG12 VAL 43 2HG1 VAL 43 9.421 -5.169 9.167 243 HG13 VAL 43 3HG1 VAL 43 9.769 -6.881 9.490 244 HG21 VAL 43 3HG2 VAL 43 7.926 -7.684 8.159 245 HG22 VAL 43 1HG2 VAL 43 7.416 -6.023 7.777 246 HG23 VAL 43 2HG2 VAL 43 7.687 -7.187 6.479 247 H ALA 44 H ALA 44 11.998 -5.884 5.397 248 HA ALA 44 HA ALA 44 13.712 -4.672 7.156 249 HB1 ALA 44 1HB ALA 44 14.435 -6.315 5.535 250 HB2 ALA 44 2HB ALA 44 14.135 -5.192 4.183 251 HB3 ALA 44 3HB ALA 44 15.429 -4.872 5.354 252 H THR 45 H THR 45 12.397 -3.044 4.264 253 HA THR 45 HA THR 45 13.453 -0.441 5.294 254 HB THR 45 HB THR 45 13.427 0.351 2.946 255 HG1 THR 45 1HG THR 45 13.394 -1.287 1.352 256 HG21 THR 45 3HG2 THR 45 15.140 -2.151 3.279 257 HG22 THR 45 1HG2 THR 45 15.502 -0.585 4.034 258 HG23 THR 45 2HG2 THR 45 15.467 -0.728 2.271 259 H GLY 46 H GLY 46 10.569 -2.152 4.941 260 HA2 GLY 46 2HA GLY 46 8.447 -1.484 5.479 261 HA3 GLY 46 3HA GLY 46 9.064 0.150 5.807 262 H ARG 47 H ARG 47 9.013 -1.789 2.822 263 HA ARG 47 HA ARG 47 7.456 0.348 1.414 264 HB3 ARG 47 2HB ARG 47 9.791 0.332 0.716 265 HG3 ARG 47 2HG ARG 47 9.276 -2.514 -0.254 266 HD3 ARG 47 2HD ARG 47 11.715 -0.718 -0.459 267 HE ARG 47 HE ARG 47 12.813 -2.706 -0.704 268 HH11 ARG 47 1HH1 ARG 47 9.731 -3.118 -2.442 269 HH12 ARG 47 2HH1 ARG 47 10.117 -4.772 -2.856 270 HH21 ARG 47 1HH2 ARG 47 13.288 -4.722 -1.445 271 HH22 ARG 47 2HH2 ARG 47 12.154 -5.591 -2.462 272 H LEU 48 H LEU 48 6.619 -0.717 -0.836 273 HA LEU 48 HA LEU 48 5.106 -3.201 -0.149 274 HB3 LEU 48 2HB LEU 48 3.345 -1.261 -1.376 275 HG LEU 48 HG LEU 48 3.466 -2.331 1.471 276 HD11 LEU 48 1HD1 LEU 48 1.411 -0.574 0.068 277 HD12 LEU 48 2HD1 LEU 48 2.339 -0.197 1.536 278 HD13 LEU 48 3HD1 LEU 48 1.089 -1.449 1.575 279 HD21 LEU 48 3HD2 LEU 48 2.916 -4.047 -0.241 280 HD22 LEU 48 1HD2 LEU 48 1.626 -3.010 -0.879 281 HD23 LEU 48 2HD2 LEU 48 1.515 -3.682 0.763 282 H THR 49 H THR 49 4.038 -4.232 -1.836 283 HA THR 49 HA THR 49 4.363 -3.334 -4.663 284 HB THR 49 HB THR 49 4.731 -6.209 -3.711 285 HG1 THR 49 1HG THR 49 6.557 -5.028 -3.273 286 HG21 THR 49 3HG2 THR 49 5.360 -6.611 -6.081 287 HG22 THR 49 1HG2 THR 49 4.987 -4.926 -6.480 288 HG23 THR 49 2HG2 THR 49 3.697 -6.043 -5.969 289 H VAL 50 H VAL 50 2.464 -3.492 -5.725 290 HA VAL 50 HA VAL 50 0.150 -4.879 -4.469 291 HB VAL 50 HB VAL 50 0.359 -2.770 -3.263 292 HG11 VAL 50 1HG1 VAL 50 0.047 -1.324 -5.926 293 HG12 VAL 50 2HG1 VAL 50 0.042 -0.581 -4.317 294 HG13 VAL 50 3HG1 VAL 50 1.509 -1.360 -4.919 295 HG21 VAL 50 3HG2 VAL 50 -1.902 -1.898 -3.576 296 HG22 VAL 50 1HG2 VAL 50 -2.044 -2.729 -5.127 297 HG23 VAL 50 2HG2 VAL 50 -1.879 -3.669 -3.628 298 H THR 51 H THR 51 -1.503 -5.386 -5.790 299 HA THR 51 HA THR 51 -1.408 -4.526 -8.655 300 HB THR 51 HB THR 51 -2.467 -7.163 -7.563 301 HG1 THR 51 1HG THR 51 -0.383 -7.275 -7.339 302 HG21 THR 51 3HG2 THR 51 -2.415 -7.847 -9.921 303 HG22 THR 51 1HG2 THR 51 -1.856 -6.232 -10.409 304 HG23 THR 51 2HG2 THR 51 -3.471 -6.442 -9.712 305 H TYR 52 H TYR 52 -2.939 -3.059 -8.979 306 HA TYR 52 HA TYR 52 -5.694 -3.472 -7.953 307 HB3 TYR 52 2HB TYR 52 -4.412 -2.130 -6.281 308 HD1 TYR 52 2HD TYR 52 -2.051 -1.500 -7.079 309 HD2 TYR 52 1HD TYR 52 -5.552 0.771 -8.140 310 HE1 TYR 52 2HE TYR 52 -0.605 0.430 -7.672 311 HE2 TYR 52 1HE TYR 52 -4.105 2.673 -8.816 312 HH TYR 52 HH TYR 52 -0.538 2.560 -8.768 313 H ASP 53 H ASP 53 -7.304 -1.797 -8.966 314 HA ASP 53 HA ASP 53 -6.586 -1.581 -11.806 315 HB3 ASP 53 2HB ASP 53 -8.611 -2.820 -11.172 316 HA PRO 54 HA PRO 54 -6.355 2.825 -11.422 317 HB3 PRO 54 2HB PRO 54 -4.739 2.450 -13.093 318 HG3 PRO 54 2HG PRO 54 -5.195 1.107 -15.003 319 HD3 PRO 54 2HD PRO 54 -5.607 -0.349 -13.255 320 H LYS 55 H LYS 55 -9.218 1.462 -12.124 321 HA LYS 55 HA LYS 55 -10.415 3.905 -13.469 322 HB3 LYS 55 2HB LYS 55 -11.921 2.116 -14.606 323 HG3 LYS 55 2HG LYS 55 -10.320 1.599 -16.406 324 HD3 LYS 55 2HD LYS 55 -9.997 4.485 -15.529 325 HE3 LYS 55 2HE LYS 55 -10.194 3.202 -18.288 326 HZ1 LYS 55 3HZ LYS 55 -9.429 5.482 -18.910 327 HZ2 LYS 55 1HZ LYS 55 -9.715 5.984 -17.380 328 HZ3 LYS 55 2HZ LYS 55 -10.964 5.430 -18.328 329 H GLN 56 H GLN 56 -11.269 1.043 -11.519 330 HA GLN 56 HA GLN 56 -13.741 2.421 -10.555 331 HB3 GLN 56 2HB GLN 56 -14.324 0.271 -9.618 332 HG3 GLN 56 2HG GLN 56 -14.267 0.705 -12.362 333 HE21 GLN 56 1HE2 GLN 56 -13.672 -2.666 -11.175 334 HE22 GLN 56 2HE2 GLN 56 -12.626 -3.084 -12.501 335 H VAL 57 H VAL 57 -10.472 1.449 -9.552 336 HA VAL 57 HA VAL 57 -10.863 3.303 -7.248 337 HB VAL 57 HB VAL 57 -9.465 2.038 -5.793 338 HG11 VAL 57 1HG1 VAL 57 -11.894 1.650 -5.758 339 HG12 VAL 57 2HG1 VAL 57 -11.689 0.232 -6.814 340 HG13 VAL 57 3HG1 VAL 57 -10.973 0.243 -5.196 341 HG21 VAL 57 3HG2 VAL 57 -8.750 -0.275 -6.199 342 HG22 VAL 57 1HG2 VAL 57 -9.383 -0.208 -7.855 343 HG23 VAL 57 2HG2 VAL 57 -8.004 0.797 -7.376 344 H SER 58 H SER 58 -8.101 3.066 -6.427 345 HA SER 58 HA SER 58 -6.181 3.657 -8.401 346 HB3 SER 58 2HB SER 58 -7.555 5.728 -8.732 347 HG SER 58 HG SER 58 -8.296 6.726 -7.071 348 H GLU 59 H GLU 59 -4.346 5.111 -6.963 349 HA GLU 59 HA GLU 59 -3.552 3.616 -4.736 350 HB3 GLU 59 2HB GLU 59 -2.129 5.130 -6.046 351 HG3 GLU 59 2HG GLU 59 -2.994 7.452 -4.304 352 H ILE 60 H ILE 60 -6.126 5.916 -4.804 353 HA ILE 60 HA ILE 60 -6.397 6.668 -2.064 354 HB ILE 60 HB ILE 60 -8.417 6.113 -4.267 355 HG13 ILE 60 2HG1 ILE 60 -8.555 8.512 -4.542 356 HG21 ILE 60 1HG2 ILE 60 -9.994 7.533 -2.876 357 HG22 ILE 60 2HG2 ILE 60 -9.705 5.890 -2.316 358 HG23 ILE 60 3HG2 ILE 60 -8.891 7.247 -1.505 359 HD11 ILE 60 3HD1 ILE 60 -7.999 9.341 -2.252 360 HD12 ILE 60 1HD1 ILE 60 -6.309 8.837 -2.501 361 HD13 ILE 60 2HD1 ILE 60 -7.022 10.096 -3.519 362 H THR 61 H THR 61 -7.093 3.529 -3.596 363 HA THR 61 HA THR 61 -8.652 2.326 -1.506 364 HB THR 61 HB THR 61 -6.914 1.322 -3.736 365 HG1 THR 61 1HG THR 61 -9.065 0.103 -3.732 366 HG21 THR 61 3HG2 THR 61 -7.335 -1.005 -3.144 367 HG22 THR 61 1HG2 THR 61 -8.033 -0.520 -1.578 368 HG23 THR 61 2HG2 THR 61 -6.301 -0.280 -1.930 369 H ILE 62 H ILE 62 -5.153 2.599 -1.858 370 HA ILE 62 HA ILE 62 -4.816 1.169 0.739 371 HB ILE 62 HB ILE 62 -3.808 0.413 -1.475 372 HG13 ILE 62 2HG1 ILE 62 -3.258 -0.544 0.682 373 HG21 ILE 62 1HG2 ILE 62 -1.711 2.529 -0.910 374 HG22 ILE 62 2HG2 ILE 62 -1.759 1.361 -2.246 375 HG23 ILE 62 3HG2 ILE 62 -2.944 2.651 -2.186 376 HD11 ILE 62 3HD1 ILE 62 -2.039 -1.338 -1.354 377 HD12 ILE 62 1HD1 ILE 62 -0.726 -0.205 -0.991 378 HD13 ILE 62 2HD1 ILE 62 -1.104 -1.515 0.141 379 H GLN 63 H GLN 63 -4.249 4.340 -0.717 380 HA GLN 63 HA GLN 63 -2.771 5.571 1.352 381 HB3 GLN 63 2HB GLN 63 -5.088 6.736 -0.253 382 HG3 GLN 63 2HG GLN 63 -2.681 8.095 1.055 383 HE21 GLN 63 1HE2 GLN 63 -4.403 10.547 1.288 384 HE22 GLN 63 2HE2 GLN 63 -4.630 11.146 -0.350 385 H GLU 64 H GLU 64 -6.374 5.113 1.173 386 HA GLU 64 HA GLU 64 -6.824 6.470 3.647 387 HB3 GLU 64 2HB GLU 64 -9.129 5.350 3.426 388 HG3 GLU 64 2HG GLU 64 -9.692 6.521 1.268 389 H ARG 65 H ARG 65 -5.442 3.417 3.289 390 HA ARG 65 HA ARG 65 -6.000 2.662 6.144 391 HB3 ARG 65 2HB ARG 65 -4.686 1.164 3.850 392 HG3 ARG 65 2HG ARG 65 -3.794 0.687 6.375 393 HD3 ARG 65 2HD ARG 65 -4.788 -1.488 7.060 394 HE ARG 65 HE ARG 65 -6.821 0.693 7.354 395 HH11 ARG 65 1HH1 ARG 65 -4.630 -1.582 9.025 396 HH12 ARG 65 2HH1 ARG 65 -5.516 -1.454 10.507 397 HH21 ARG 65 1HH2 ARG 65 -7.753 0.956 9.337 398 HH22 ARG 65 2HH2 ARG 65 -7.358 -0.157 10.624 399 H ILE 66 H ILE 66 -3.264 3.192 3.834 400 HA ILE 66 HA ILE 66 -1.221 3.068 5.843 401 HB ILE 66 HB ILE 66 -1.295 4.398 3.102 402 HG13 ILE 66 2HG1 ILE 66 -1.544 1.826 3.317 403 HG21 ILE 66 1HG2 ILE 66 1.171 4.477 3.200 404 HG22 ILE 66 2HG2 ILE 66 0.496 5.425 4.508 405 HG23 ILE 66 3HG2 ILE 66 1.146 3.797 4.834 406 HD11 ILE 66 3HD1 ILE 66 0.063 1.268 1.583 407 HD12 ILE 66 1HD1 ILE 66 -0.727 2.813 1.214 408 HD13 ILE 66 2HD1 ILE 66 0.944 2.771 1.833 409 H ALA 67 H ALA 67 -2.922 5.987 4.571 410 HA ALA 67 HA ALA 67 -1.464 7.786 6.260 411 HB1 ALA 67 1HB ALA 67 -3.153 9.417 5.526 412 HB2 ALA 67 2HB ALA 67 -2.573 8.453 4.158 413 HB3 ALA 67 3HB ALA 67 -4.166 8.114 4.876 414 H ALA 68 H ALA 68 -4.160 5.645 6.925 415 HA ALA 68 HA ALA 68 -5.126 7.117 9.305 416 HB1 ALA 68 1HB ALA 68 -6.778 5.302 9.413 417 HB2 ALA 68 2HB ALA 68 -6.732 5.995 7.782 418 HB3 ALA 68 3HB ALA 68 -5.953 4.429 8.109 419 H LEU 69 H LEU 69 -2.931 4.479 8.533 420 HA LEU 69 HA LEU 69 -2.305 3.912 11.348 421 HB3 LEU 69 2HB LEU 69 -0.073 3.212 9.963 422 HG LEU 69 HG LEU 69 -0.861 0.975 9.745 423 HD11 LEU 69 1HD1 LEU 69 -2.043 2.091 12.318 424 HD12 LEU 69 2HD1 LEU 69 -0.306 1.870 12.006 425 HD13 LEU 69 3HD1 LEU 69 -1.400 0.479 12.030 426 HD21 LEU 69 3HD2 LEU 69 -3.676 1.969 10.360 427 HD22 LEU 69 1HD2 LEU 69 -3.162 0.282 10.169 428 HD23 LEU 69 2HD2 LEU 69 -3.098 1.386 8.782 429 H GLY 70 H GLY 70 -1.900 6.706 9.496 430 HA2 GLY 70 2HA GLY 70 -0.824 8.689 10.086 431 HA3 GLY 70 3HA GLY 70 0.102 7.829 11.347 432 H TYR 71 H TYR 71 0.317 6.106 8.487 433 HA TYR 71 HA TYR 71 3.091 6.995 7.944 434 HB3 TYR 71 2HB TYR 71 3.144 4.880 6.639 435 HD1 TYR 71 1HD TYR 71 3.294 5.812 9.859 436 HD2 TYR 71 2HD TYR 71 1.932 2.401 7.589 437 HE1 TYR 71 1HE TYR 71 3.492 4.406 11.868 438 HE2 TYR 71 2HE TYR 71 2.150 0.973 9.622 439 HH TYR 71 HH TYR 71 3.214 2.336 12.762 440 H THR 72 H THR 72 3.360 6.501 5.238 441 HA THR 72 HA THR 72 1.195 7.730 3.723 442 HB THR 72 HB THR 72 2.359 9.706 4.683 443 HG1 THR 72 1HG THR 72 2.651 10.660 2.536 444 HG21 THR 72 3HG2 THR 72 4.702 8.758 4.621 445 HG22 THR 72 1HG2 THR 72 4.544 10.373 3.936 446 HG23 THR 72 2HG2 THR 72 4.687 8.968 2.856 447 H LEU 73 H LEU 73 2.161 8.098 1.303 448 HA LEU 73 HA LEU 73 3.732 5.712 0.501 449 HB3 LEU 73 2HB LEU 73 1.284 5.102 0.880 450 HG LEU 73 HG LEU 73 0.859 6.536 -1.788 451 HD11 LEU 73 1HD1 LEU 73 -0.224 4.329 -1.572 452 HD12 LEU 73 2HD1 LEU 73 -1.406 5.639 -1.648 453 HD13 LEU 73 3HD1 LEU 73 -1.032 4.868 -0.088 454 HD21 LEU 73 3HD2 LEU 73 0.647 8.236 -0.039 455 HD22 LEU 73 1HD2 LEU 73 -0.385 7.156 0.930 456 HD23 LEU 73 2HD2 LEU 73 -0.950 7.800 -0.631 457 H ALA 74 H ALA 74 3.955 5.524 -1.905 458 HA ALA 74 HA ALA 74 3.121 7.772 -3.569 459 HB1 ALA 74 1HB ALA 74 5.410 8.138 -4.517 460 HB2 ALA 74 2HB ALA 74 5.288 8.623 -2.824 461 HB3 ALA 74 3HB ALA 74 6.080 7.089 -3.249 462 H GLU 75 H GLU 75 2.816 7.197 -5.683 463 HA GLU 75 HA GLU 75 3.999 4.827 -6.887 464 HB3 GLU 75 2HB GLU 75 0.969 4.731 -6.858 465 HG3 GLU 75 2HG GLU 75 1.446 2.268 -6.886 466 HA PRO 76 HA PRO 76 3.031 8.633 -9.242 467 HB3 PRO 76 2HB PRO 76 4.997 9.481 -8.349 468 HG3 PRO 76 2HG PRO 76 6.994 8.152 -8.224 469 HD3 PRO 76 2HD PRO 76 5.348 7.059 -6.961 Start of MODEL 7 1 H2 PRO 6 2H PRO 6 -7.777 -3.078 -15.989 2 HA PRO 6 HA PRO 6 -8.269 -5.898 -15.344 3 HB3 PRO 6 2HB PRO 6 -6.695 -6.527 -16.966 4 HG3 PRO 6 2HG PRO 6 -8.114 -5.714 -18.648 5 HD3 PRO 6 2HD PRO 6 -9.728 -4.940 -17.163 6 H LEU 7 H LEU 7 -6.876 -6.718 -13.697 7 HA LEU 7 HA LEU 7 -5.660 -4.589 -12.066 8 HB3 LEU 7 2HB LEU 7 -6.990 -5.873 -10.686 9 HG LEU 7 HG LEU 7 -5.896 -8.344 -12.053 10 HD11 LEU 7 1HD1 LEU 7 -6.675 -9.688 -10.094 11 HD12 LEU 7 2HD1 LEU 7 -6.909 -8.186 -9.178 12 HD13 LEU 7 3HD1 LEU 7 -5.281 -8.672 -9.706 13 HD21 LEU 7 3HD2 LEU 7 -8.245 -9.081 -11.838 14 HD22 LEU 7 1HD2 LEU 7 -8.180 -7.515 -12.654 15 HD23 LEU 7 2HD2 LEU 7 -8.645 -7.593 -10.950 16 H LYS 8 H LYS 8 -3.661 -4.287 -11.675 17 HA LYS 8 HA LYS 8 -1.541 -6.012 -12.888 18 HB3 LYS 8 2HB LYS 8 -1.918 -4.254 -14.503 19 HG3 LYS 8 2HG LYS 8 -1.943 -2.376 -12.113 20 HD3 LYS 8 2HD LYS 8 -1.793 -0.490 -13.743 21 HE3 LYS 8 2HE LYS 8 0.775 -2.126 -13.521 22 HZ1 LYS 8 3HZ LYS 8 0.936 -0.047 -14.797 23 HZ2 LYS 8 1HZ LYS 8 1.774 0.051 -13.375 24 HZ3 LYS 8 2HZ LYS 8 0.336 0.808 -13.520 25 H THR 9 H THR 9 0.543 -5.823 -11.944 26 HA THR 9 HA THR 9 0.602 -5.003 -9.113 27 HB THR 9 HB THR 9 1.688 -7.105 -10.062 28 HG1 THR 9 1HG THR 9 3.060 -6.988 -8.408 29 HG21 THR 9 3HG2 THR 9 3.934 -5.136 -10.747 30 HG22 THR 9 1HG2 THR 9 2.971 -6.035 -11.940 31 HG23 THR 9 2HG2 THR 9 4.021 -6.893 -10.798 32 H GLN 10 H GLN 10 2.271 -3.621 -8.256 33 HA GLN 10 HA GLN 10 3.645 -1.639 -9.866 34 HB3 GLN 10 2HB GLN 10 1.314 -0.682 -8.154 35 HG3 GLN 10 2HG GLN 10 3.200 0.975 -8.759 36 HE21 GLN 10 1HE2 GLN 10 2.765 3.009 -10.601 37 HE22 GLN 10 2HE2 GLN 10 3.144 2.402 -12.219 38 H GLN 11 H GLN 11 5.262 -0.670 -8.601 39 HA GLN 11 HA GLN 11 5.424 -1.436 -5.728 40 HB3 GLN 11 2HB GLN 11 7.535 -0.373 -7.642 41 HG3 GLN 11 2HG GLN 11 7.704 -1.384 -4.769 42 HE21 GLN 11 1HE2 GLN 11 10.005 0.198 -7.076 43 HE22 GLN 11 2HE2 GLN 11 11.285 -0.976 -6.728 44 H MET 12 H MET 12 5.742 0.051 -4.079 45 HA MET 12 HA MET 12 4.980 2.887 -4.598 46 HB3 MET 12 2HB MET 12 3.619 0.760 -2.904 47 HG3 MET 12 2HG MET 12 3.067 3.754 -2.889 48 HE1 MET 12 3HE MET 12 0.810 2.654 -4.309 49 HE2 MET 12 1HE MET 12 -0.615 2.960 -3.301 50 HE3 MET 12 2HE MET 12 0.639 4.197 -3.425 51 H GLN 13 H GLN 13 5.466 4.296 -2.897 52 HA GLN 13 HA GLN 13 7.670 3.457 -1.084 53 HB3 GLN 13 2HB GLN 13 8.058 5.963 -0.964 54 HG3 GLN 13 2HG GLN 13 8.101 4.737 -3.752 55 HE21 GLN 13 1HE2 GLN 13 9.751 5.672 -5.205 56 HE22 GLN 13 2HE2 GLN 13 10.007 7.414 -5.132 57 H VAL 14 H VAL 14 7.553 4.113 1.130 58 HA VAL 14 HA VAL 14 5.099 5.308 2.188 59 HB VAL 14 HB VAL 14 4.228 3.109 2.078 60 HG11 VAL 14 1HG1 VAL 14 6.712 2.030 3.469 61 HG12 VAL 14 2HG1 VAL 14 5.240 1.119 3.085 62 HG13 VAL 14 3HG1 VAL 14 6.234 1.757 1.776 63 HG21 VAL 14 3HG2 VAL 14 5.142 3.519 4.951 64 HG22 VAL 14 1HG2 VAL 14 3.750 4.305 4.180 65 HG23 VAL 14 2HG2 VAL 14 3.763 2.553 4.395 66 H GLY 15 H GLY 15 5.511 6.475 3.897 67 HA2 GLY 15 2HA GLY 15 8.206 6.314 5.233 68 HA3 GLY 15 3HA GLY 15 7.275 7.804 5.026 69 H GLY 16 H GLY 16 7.982 5.330 7.096 70 HA2 GLY 16 2HA GLY 16 7.296 5.747 9.472 71 HA3 GLY 16 3HA GLY 16 5.620 5.830 8.892 72 H MET 17 H MET 17 6.039 3.589 6.948 73 HA MET 17 HA MET 17 6.075 1.262 8.784 74 HB3 MET 17 2HB MET 17 5.839 1.247 5.756 75 HG3 MET 17 2HG MET 17 4.735 -0.708 7.802 76 HE1 MET 17 3HE MET 17 6.571 -0.540 4.286 77 HE2 MET 17 1HE MET 17 6.912 -2.122 5.026 78 HE3 MET 17 2HE MET 17 5.919 -2.026 3.561 79 H ARG 18 H ARG 18 7.938 0.528 9.386 80 HA ARG 18 HA ARG 18 9.898 -0.623 7.839 81 HB3 ARG 18 2HB ARG 18 10.800 1.476 7.106 82 HG3 ARG 18 2HG ARG 18 11.110 2.263 10.035 83 HD3 ARG 18 2HD ARG 18 11.791 3.757 7.465 84 HE ARG 18 HE ARG 18 12.699 4.732 10.086 85 HH11 ARG 18 1HH1 ARG 18 10.179 5.175 7.595 86 HH12 ARG 18 2HH1 ARG 18 9.818 6.782 8.237 87 HH21 ARG 18 1HH2 ARG 18 12.107 6.790 10.736 88 HH22 ARG 18 2HH2 ARG 18 10.782 7.607 9.892 89 H CYS 19 H CYS 19 10.950 -2.041 9.099 90 HA CYS 19 HA CYS 19 11.331 -3.408 10.890 91 HB3 CYS 19 2HB CYS 19 11.904 -2.227 13.117 92 HG CYS 19 HG CYS 19 14.208 -1.085 12.196 93 H ALA 20 H ALA 20 10.508 -4.226 12.996 94 HA ALA 20 HA ALA 20 8.822 -5.101 14.225 95 HB1 ALA 20 1HB ALA 20 7.553 -2.337 14.058 96 HB2 ALA 20 2HB ALA 20 7.329 -3.552 15.334 97 HB3 ALA 20 3HB ALA 20 8.901 -2.776 15.128 98 H ALA 21 H ALA 21 6.122 -4.960 14.401 99 HA ALA 21 HA ALA 21 5.461 -6.695 12.186 100 HB1 ALA 21 1HB ALA 21 5.039 -7.150 14.606 101 HB2 ALA 21 2HB ALA 21 3.830 -5.845 14.621 102 HB3 ALA 21 3HB ALA 21 3.575 -7.283 13.616 103 H CYS 22 H CYS 22 4.916 -3.364 12.426 104 HA CYS 22 HA CYS 22 2.226 -2.969 12.079 105 HB3 CYS 22 2HB CYS 22 2.866 -0.720 11.305 106 HG CYS 22 HG CYS 22 2.895 -1.318 13.876 107 H ALA 23 H ALA 23 4.445 -3.666 9.339 108 HA ALA 23 HA ALA 23 2.876 -3.248 7.110 109 HB1 ALA 23 1HB ALA 23 5.114 -4.102 7.079 110 HB2 ALA 23 2HB ALA 23 4.610 -5.626 7.854 111 HB3 ALA 23 3HB ALA 23 4.048 -5.220 6.220 112 H SER 24 H SER 24 2.280 -5.732 9.616 113 HA SER 24 HA SER 24 0.433 -7.382 8.204 114 HB3 SER 24 2HB SER 24 -0.169 -8.262 10.328 115 HG SER 24 HG SER 24 2.356 -7.343 11.060 116 H SER 25 H SER 25 -0.116 -4.267 9.845 117 HA SER 25 HA SER 25 -3.043 -4.456 9.643 118 HB3 SER 25 2HB SER 25 -3.035 -2.200 10.541 119 HG SER 25 HG SER 25 -2.760 -3.723 12.107 120 H ILE 26 H ILE 26 -0.558 -3.737 7.445 121 HA ILE 26 HA ILE 26 -2.473 -2.458 5.530 122 HB ILE 26 HB ILE 26 0.487 -3.156 5.269 123 HG13 ILE 26 2HG1 ILE 26 -1.049 -0.568 5.511 124 HG21 ILE 26 1HG2 ILE 26 -1.381 -2.110 3.113 125 HG22 ILE 26 2HG2 ILE 26 0.391 -2.267 2.993 126 HG23 ILE 26 3HG2 ILE 26 -0.593 -3.710 3.146 127 HD11 ILE 26 3HD1 ILE 26 0.966 0.170 6.724 128 HD12 ILE 26 1HD1 ILE 26 0.363 -1.334 7.458 129 HD13 ILE 26 2HD1 ILE 26 1.770 -1.367 6.379 130 H GLU 27 H GLU 27 -0.464 -5.447 5.840 131 HA GLU 27 HA GLU 27 -1.483 -6.730 3.586 132 HB3 GLU 27 2HB GLU 27 -0.813 -8.888 4.707 133 HG3 GLU 27 2HG GLU 27 1.287 -6.729 5.047 134 H ARG 28 H ARG 28 -2.839 -6.990 6.943 135 HA ARG 28 HA ARG 28 -4.771 -8.980 6.128 136 HB3 ARG 28 2HB ARG 28 -4.687 -7.195 8.589 137 HG3 ARG 28 2HG ARG 28 -6.914 -8.184 8.411 138 HD3 ARG 28 2HD ARG 28 -5.536 -10.907 8.297 139 HE ARG 28 HE ARG 28 -8.151 -10.119 9.182 140 HH11 ARG 28 1HH1 ARG 28 -6.784 -12.690 7.105 141 HH12 ARG 28 2HH1 ARG 28 -8.210 -13.679 7.338 142 HH21 ARG 28 1HH2 ARG 28 -9.720 -11.583 9.652 143 HH22 ARG 28 2HH2 ARG 28 -9.709 -13.163 8.902 144 H ALA 29 H ALA 29 -4.902 -5.433 6.197 145 HA ALA 29 HA ALA 29 -7.781 -5.303 5.667 146 HB1 ALA 29 1HB ALA 29 -5.544 -3.243 5.332 147 HB2 ALA 29 2HB ALA 29 -7.286 -2.940 5.138 148 HB3 ALA 29 3HB ALA 29 -6.644 -3.398 6.721 149 H LEU 30 H LEU 30 -4.807 -5.006 3.699 150 HA LEU 30 HA LEU 30 -5.717 -3.800 1.502 151 HB3 LEU 30 2HB LEU 30 -3.756 -6.159 1.558 152 HG LEU 30 HG LEU 30 -2.494 -5.042 -0.158 153 HD11 LEU 30 1HD1 LEU 30 -3.544 -5.664 -2.145 154 HD12 LEU 30 2HD1 LEU 30 -5.159 -5.559 -1.452 155 HD13 LEU 30 3HD1 LEU 30 -4.034 -6.829 -0.905 156 HD21 LEU 30 3HD2 LEU 30 -3.274 -2.741 0.193 157 HD22 LEU 30 1HD2 LEU 30 -4.843 -3.151 -0.525 158 HD23 LEU 30 2HD2 LEU 30 -3.379 -3.194 -1.517 159 H GLU 31 H GLU 31 -5.787 -7.392 1.696 160 HA GLU 31 HA GLU 31 -6.825 -7.562 -0.952 161 HB3 GLU 31 2HB GLU 31 -5.451 -9.333 -0.113 162 HG3 GLU 31 2HG GLU 31 -7.639 -10.011 1.894 163 H ARG 32 H ARG 32 -8.350 -6.709 1.903 164 HA ARG 32 HA ARG 32 -10.984 -7.824 1.222 165 HB3 ARG 32 2HB ARG 32 -11.549 -7.588 3.550 166 HG3 ARG 32 2HG ARG 32 -8.666 -8.586 3.456 167 HD3 ARG 32 2HD ARG 32 -9.609 -8.403 5.738 168 HE ARG 32 HE ARG 32 -11.830 -9.002 5.880 169 HH11 ARG 32 1HH1 ARG 32 -10.213 -11.663 4.072 170 HH12 ARG 32 2HH1 ARG 32 -11.681 -12.616 4.140 171 HH21 ARG 32 1HH2 ARG 32 -13.557 -10.466 6.011 172 HH22 ARG 32 2HH2 ARG 32 -13.465 -11.965 5.109 173 H LEU 33 H LEU 33 -9.278 -4.810 1.175 174 HA LEU 33 HA LEU 33 -11.449 -2.973 1.601 175 HB3 LEU 33 2HB LEU 33 -9.978 -1.337 0.488 176 HG LEU 33 HG LEU 33 -8.185 -3.171 2.107 177 HD11 LEU 33 1HD1 LEU 33 -7.866 -0.235 1.406 178 HD12 LEU 33 2HD1 LEU 33 -6.947 -1.574 0.684 179 HD13 LEU 33 3HD1 LEU 33 -6.768 -1.208 2.405 180 HD21 LEU 33 3HD2 LEU 33 -8.604 -1.537 3.949 181 HD22 LEU 33 1HD2 LEU 33 -10.058 -2.449 3.502 182 HD23 LEU 33 2HD2 LEU 33 -9.849 -0.763 2.955 183 H LYS 34 H LYS 34 -10.891 -4.973 -1.115 184 HA LYS 34 HA LYS 34 -11.839 -5.272 -3.126 185 HB3 LYS 34 2HB LYS 34 -13.818 -3.813 -3.860 186 HG3 LYS 34 2HG LYS 34 -13.998 -5.517 -1.341 187 HD3 LYS 34 2HD LYS 34 -16.149 -4.505 -3.269 188 HE3 LYS 34 2HE LYS 34 -17.671 -5.702 -1.578 189 HZ1 LYS 34 3HZ LYS 34 -17.464 -6.652 -3.733 190 HZ2 LYS 34 1HZ LYS 34 -17.364 -7.865 -2.621 191 HZ3 LYS 34 2HZ LYS 34 -16.013 -7.381 -3.385 192 H GLY 35 H GLY 35 -11.760 -4.568 -5.307 193 HA2 GLY 35 2HA GLY 35 -10.869 -3.465 -7.126 194 HA3 GLY 35 3HA GLY 35 -10.660 -2.020 -6.117 195 H VAL 36 H VAL 36 -8.917 -2.827 -4.233 196 HA VAL 36 HA VAL 36 -6.359 -3.632 -5.486 197 HB VAL 36 HB VAL 36 -5.620 -3.817 -3.038 198 HG11 VAL 36 1HG1 VAL 36 -6.521 -1.114 -4.112 199 HG12 VAL 36 2HG1 VAL 36 -5.467 -1.339 -2.700 200 HG13 VAL 36 3HG1 VAL 36 -4.924 -1.883 -4.282 201 HG21 VAL 36 3HG2 VAL 36 -8.153 -2.216 -2.489 202 HG22 VAL 36 1HG2 VAL 36 -7.996 -3.945 -2.118 203 HG23 VAL 36 2HG2 VAL 36 -6.938 -2.760 -1.332 204 H ALA 37 H ALA 37 -5.299 -5.633 -4.991 205 HA ALA 37 HA ALA 37 -7.169 -7.873 -4.246 206 HB1 ALA 37 1HB ALA 37 -7.031 -7.514 -6.683 207 HB2 ALA 37 2HB ALA 37 -5.265 -7.696 -6.616 208 HB3 ALA 37 3HB ALA 37 -6.316 -9.070 -6.214 209 H GLU 38 H GLU 38 -3.610 -7.128 -4.548 210 HA GLU 38 HA GLU 38 -2.952 -9.232 -2.626 211 HB3 GLU 38 2HB GLU 38 -1.387 -10.318 -4.284 212 HG3 GLU 38 2HG GLU 38 -4.335 -10.650 -4.933 213 H ALA 39 H ALA 39 -0.728 -9.006 -1.847 214 HA ALA 39 HA ALA 39 0.909 -6.840 -3.008 215 HB1 ALA 39 1HB ALA 39 -0.813 -5.658 -1.746 216 HB2 ALA 39 2HB ALA 39 -0.422 -6.599 -0.283 217 HB3 ALA 39 3HB ALA 39 0.768 -5.463 -0.963 218 H SER 40 H SER 40 2.971 -6.593 -2.213 219 HA SER 40 HA SER 40 4.040 -8.766 -0.427 220 HB3 SER 40 2HB SER 40 6.123 -8.739 -1.630 221 HG SER 40 HG SER 40 4.115 -8.955 -3.649 222 H VAL 41 H VAL 41 4.689 -7.857 1.466 223 HA VAL 41 HA VAL 41 5.594 -5.033 1.557 224 HB VAL 41 HB VAL 41 5.394 -5.098 3.926 225 HG11 VAL 41 1HG1 VAL 41 3.064 -5.563 4.197 226 HG12 VAL 41 2HG1 VAL 41 3.276 -5.042 2.527 227 HG13 VAL 41 3HG1 VAL 41 3.068 -6.757 2.881 228 HG21 VAL 41 3HG2 VAL 41 5.141 -8.127 3.758 229 HG22 VAL 41 1HG2 VAL 41 6.380 -7.181 4.594 230 HG23 VAL 41 2HG2 VAL 41 4.720 -7.170 5.184 231 H THR 42 H THR 42 7.600 -4.313 2.036 232 HA THR 42 HA THR 42 9.749 -6.276 2.829 233 HB THR 42 HB THR 42 10.039 -3.774 1.153 234 HG1 THR 42 1HG THR 42 9.265 -5.391 -0.085 235 HG21 THR 42 3HG2 THR 42 12.022 -4.193 2.621 236 HG22 THR 42 1HG2 THR 42 12.388 -4.487 0.919 237 HG23 THR 42 2HG2 THR 42 12.101 -5.858 2.002 238 H VAL 43 H VAL 43 9.766 -6.030 4.968 239 HA VAL 43 HA VAL 43 8.954 -3.538 6.253 240 HB VAL 43 HB VAL 43 9.870 -6.234 7.284 241 HG11 VAL 43 1HG1 VAL 43 9.073 -3.807 8.965 242 HG12 VAL 43 2HG1 VAL 43 9.197 -5.472 9.565 243 HG13 VAL 43 3HG1 VAL 43 10.642 -4.651 9.000 244 HG21 VAL 43 3HG2 VAL 43 7.595 -6.013 6.297 245 HG22 VAL 43 1HG2 VAL 43 7.488 -6.282 8.047 246 HG23 VAL 43 2HG2 VAL 43 7.271 -4.645 7.377 247 H ALA 44 H ALA 44 12.149 -5.152 5.717 248 HA ALA 44 HA ALA 44 13.595 -3.560 7.630 249 HB1 ALA 44 1HB ALA 44 14.552 -5.043 5.127 250 HB2 ALA 44 2HB ALA 44 15.576 -4.465 6.459 251 HB3 ALA 44 3HB ALA 44 14.375 -5.731 6.755 252 H THR 45 H THR 45 13.453 -3.280 4.080 253 HA THR 45 HA THR 45 14.632 -0.613 4.039 254 HB THR 45 HB THR 45 13.371 -2.062 1.688 255 HG1 THR 45 1HG THR 45 15.281 -3.207 1.501 256 HG21 THR 45 3HG2 THR 45 14.300 0.160 1.165 257 HG22 THR 45 1HG2 THR 45 15.350 -1.087 0.491 258 HG23 THR 45 2HG2 THR 45 15.820 -0.252 1.987 259 H GLY 46 H GLY 46 11.503 -1.648 4.660 260 HA2 GLY 46 2HA GLY 46 9.449 -0.692 4.746 261 HA3 GLY 46 3HA GLY 46 10.300 0.836 4.874 262 H ARG 47 H ARG 47 9.029 -1.525 2.544 263 HA ARG 47 HA ARG 47 7.894 0.612 0.905 264 HB3 ARG 47 2HB ARG 47 10.130 0.455 -0.108 265 HG3 ARG 47 2HG ARG 47 9.335 -2.455 -0.541 266 HD3 ARG 47 2HD ARG 47 11.632 -1.046 -1.921 267 HE ARG 47 HE ARG 47 10.468 -3.720 -2.539 268 HH11 ARG 47 1HH1 ARG 47 13.391 -1.974 -1.507 269 HH12 ARG 47 2HH1 ARG 47 14.219 -3.451 -1.103 270 HH21 ARG 47 1HH2 ARG 47 11.688 -5.569 -2.225 271 HH22 ARG 47 2HH2 ARG 47 13.346 -5.441 -1.674 272 H LEU 48 H LEU 48 6.662 -0.361 -1.025 273 HA LEU 48 HA LEU 48 5.394 -2.979 -0.313 274 HB3 LEU 48 2HB LEU 48 3.211 -1.802 -1.031 275 HG LEU 48 HG LEU 48 4.449 -0.610 1.486 276 HD11 LEU 48 1HD1 LEU 48 2.452 0.561 0.597 277 HD12 LEU 48 2HD1 LEU 48 2.056 -0.322 2.089 278 HD13 LEU 48 3HD1 LEU 48 1.592 -0.994 0.501 279 HD21 LEU 48 3HD2 LEU 48 2.800 -3.147 1.040 280 HD22 LEU 48 1HD2 LEU 48 3.132 -2.424 2.634 281 HD23 LEU 48 2HD2 LEU 48 4.465 -3.059 1.671 282 H THR 49 H THR 49 4.428 -4.073 -1.907 283 HA THR 49 HA THR 49 4.445 -3.085 -4.726 284 HB THR 49 HB THR 49 4.785 -6.014 -3.984 285 HG1 THR 49 1HG THR 49 6.900 -5.826 -4.565 286 HG21 THR 49 3HG2 THR 49 3.723 -5.597 -6.169 287 HG22 THR 49 1HG2 THR 49 5.354 -6.240 -6.390 288 HG23 THR 49 2HG2 THR 49 5.049 -4.504 -6.626 289 H VAL 50 H VAL 50 2.380 -3.207 -5.549 290 HA VAL 50 HA VAL 50 0.324 -4.790 -4.094 291 HB VAL 50 HB VAL 50 0.348 -2.690 -2.915 292 HG11 VAL 50 1HG1 VAL 50 1.327 -1.176 -4.600 293 HG12 VAL 50 2HG1 VAL 50 -0.160 -1.268 -5.568 294 HG13 VAL 50 3HG1 VAL 50 -0.186 -0.531 -3.957 295 HG21 VAL 50 3HG2 VAL 50 -1.996 -2.039 -3.161 296 HG22 VAL 50 1HG2 VAL 50 -2.091 -2.785 -4.751 297 HG23 VAL 50 2HG2 VAL 50 -1.838 -3.799 -3.314 298 H THR 51 H THR 51 -1.350 -5.455 -5.224 299 HA THR 51 HA THR 51 -1.469 -4.939 -8.145 300 HB THR 51 HB THR 51 -2.458 -7.290 -6.472 301 HG1 THR 51 1HG THR 51 -0.886 -8.294 -7.936 302 HG21 THR 51 3HG2 THR 51 -3.981 -6.893 -8.430 303 HG22 THR 51 1HG2 THR 51 -3.000 -8.338 -8.661 304 HG23 THR 51 2HG2 THR 51 -2.578 -6.833 -9.509 305 H TYR 52 H TYR 52 -3.112 -3.819 -8.933 306 HA TYR 52 HA TYR 52 -5.785 -3.894 -7.742 307 HB3 TYR 52 2HB TYR 52 -4.623 -2.197 -6.399 308 HD1 TYR 52 2HD TYR 52 -5.583 -0.075 -9.297 309 HD2 TYR 52 1HD TYR 52 -2.403 -1.312 -6.674 310 HE1 TYR 52 2HE TYR 52 -4.154 1.778 -10.152 311 HE2 TYR 52 1HE TYR 52 -1.002 0.582 -7.460 312 HH TYR 52 HH TYR 52 -0.935 2.544 -8.845 313 H ASP 53 H ASP 53 -7.447 -2.786 -9.045 314 HA ASP 53 HA ASP 53 -6.801 -2.719 -11.935 315 HB3 ASP 53 2HB ASP 53 -9.410 -2.858 -10.409 316 HA PRO 54 HA PRO 54 -6.371 1.625 -11.057 317 HB3 PRO 54 2HB PRO 54 -4.541 1.427 -12.486 318 HG3 PRO 54 2HG PRO 54 -4.703 0.237 -14.558 319 HD3 PRO 54 2HD PRO 54 -5.267 -1.282 -12.841 320 H LYS 55 H LYS 55 -9.065 0.439 -12.361 321 HA LYS 55 HA LYS 55 -10.253 3.149 -12.812 322 HB3 LYS 55 2HB LYS 55 -11.654 2.201 -14.663 323 HG3 LYS 55 2HG LYS 55 -8.652 2.121 -15.205 324 HD3 LYS 55 2HD LYS 55 -10.968 2.956 -16.994 325 HE3 LYS 55 2HE LYS 55 -7.946 2.778 -17.423 326 HZ1 LYS 55 3HZ LYS 55 -9.247 2.209 -19.428 327 HZ2 LYS 55 1HZ LYS 55 -8.393 3.601 -19.613 328 HZ3 LYS 55 2HZ LYS 55 -9.999 3.677 -19.367 329 H GLN 56 H GLN 56 -10.688 -0.136 -11.595 330 HA GLN 56 HA GLN 56 -13.168 0.561 -10.160 331 HB3 GLN 56 2HB GLN 56 -12.348 -1.293 -8.606 332 HG3 GLN 56 2HG GLN 56 -12.659 -1.967 -11.552 333 HE21 GLN 56 1HE2 GLN 56 -13.316 -3.434 -8.243 334 HE22 GLN 56 2HE2 GLN 56 -12.865 -5.051 -8.794 335 H VAL 57 H VAL 57 -9.614 0.823 -9.489 336 HA VAL 57 HA VAL 57 -10.148 2.893 -7.453 337 HB VAL 57 HB VAL 57 -8.771 1.804 -5.749 338 HG11 VAL 57 1HG1 VAL 57 -11.169 0.074 -6.442 339 HG12 VAL 57 2HG1 VAL 57 -10.376 0.206 -4.869 340 HG13 VAL 57 3HG1 VAL 57 -11.210 1.612 -5.552 341 HG21 VAL 57 3HG2 VAL 57 -7.483 0.242 -7.212 342 HG22 VAL 57 1HG2 VAL 57 -8.216 -0.565 -5.825 343 HG23 VAL 57 2HG2 VAL 57 -8.948 -0.731 -7.439 344 H SER 58 H SER 58 -7.420 2.770 -6.380 345 HA SER 58 HA SER 58 -5.395 3.043 -8.371 346 HB3 SER 58 2HB SER 58 -6.810 5.031 -8.990 347 HG SER 58 HG SER 58 -7.522 6.314 -7.474 348 H GLU 59 H GLU 59 -3.730 4.893 -7.011 349 HA GLU 59 HA GLU 59 -2.882 3.778 -4.582 350 HB3 GLU 59 2HB GLU 59 -1.554 5.382 -5.825 351 HG3 GLU 59 2HG GLU 59 -3.434 7.586 -4.856 352 H ILE 60 H ILE 60 -5.801 5.609 -5.072 353 HA ILE 60 HA ILE 60 -6.041 6.978 -2.574 354 HB ILE 60 HB ILE 60 -8.052 5.908 -4.597 355 HG13 ILE 60 2HG1 ILE 60 -8.246 8.169 -5.373 356 HG21 ILE 60 1HG2 ILE 60 -9.338 6.015 -2.620 357 HG22 ILE 60 2HG2 ILE 60 -8.639 7.583 -2.140 358 HG23 ILE 60 3HG2 ILE 60 -9.726 7.460 -3.550 359 HD11 ILE 60 3HD1 ILE 60 -7.860 9.540 -3.392 360 HD12 ILE 60 1HD1 ILE 60 -6.162 9.003 -3.313 361 HD13 ILE 60 2HD1 ILE 60 -6.721 9.964 -4.684 362 H THR 61 H THR 61 -7.242 3.716 -3.455 363 HA THR 61 HA THR 61 -8.672 3.325 -1.038 364 HB THR 61 HB THR 61 -7.460 1.297 -2.958 365 HG1 THR 61 1HG THR 61 -9.916 2.737 -2.857 366 HG21 THR 61 3HG2 THR 61 -9.796 1.070 -0.990 367 HG22 THR 61 1HG2 THR 61 -8.291 0.120 -0.974 368 HG23 THR 61 2HG2 THR 61 -9.455 -0.094 -2.289 369 H ILE 62 H ILE 62 -5.322 2.608 -1.824 370 HA ILE 62 HA ILE 62 -4.826 1.383 0.840 371 HB ILE 62 HB ILE 62 -3.946 0.437 -1.317 372 HG13 ILE 62 2HG1 ILE 62 -3.133 -0.313 0.780 373 HG21 ILE 62 1HG2 ILE 62 -3.297 2.547 -2.416 374 HG22 ILE 62 2HG2 ILE 62 -1.979 2.757 -1.234 375 HG23 ILE 62 3HG2 ILE 62 -1.987 1.386 -2.369 376 HD11 ILE 62 3HD1 ILE 62 -0.624 0.294 -0.857 377 HD12 ILE 62 1HD1 ILE 62 -0.870 -1.012 0.323 378 HD13 ILE 62 2HD1 ILE 62 -1.756 -1.025 -1.210 379 H GLN 63 H GLN 63 -4.191 4.494 -0.801 380 HA GLN 63 HA GLN 63 -2.619 5.748 1.189 381 HB3 GLN 63 2HB GLN 63 -4.908 6.848 -0.501 382 HG3 GLN 63 2HG GLN 63 -2.637 8.597 0.383 383 HE21 GLN 63 1HE2 GLN 63 -3.289 9.289 -1.937 384 HE22 GLN 63 2HE2 GLN 63 -4.638 10.416 -2.036 385 H GLU 64 H GLU 64 -6.198 5.546 0.970 386 HA GLU 64 HA GLU 64 -6.733 6.924 3.372 387 HB3 GLU 64 2HB GLU 64 -8.974 5.671 3.193 388 HG3 GLU 64 2HG GLU 64 -9.450 6.479 0.782 389 H ARG 65 H ARG 65 -5.642 3.647 3.015 390 HA ARG 65 HA ARG 65 -6.223 2.953 5.823 391 HB3 ARG 65 2HB ARG 65 -4.448 1.254 4.081 392 HG3 ARG 65 2HG ARG 65 -5.816 -0.582 4.930 393 HD3 ARG 65 2HD ARG 65 -5.083 1.288 7.219 394 HE ARG 65 HE ARG 65 -5.034 -1.576 7.688 395 HH11 ARG 65 1HH1 ARG 65 -7.273 1.223 7.970 396 HH12 ARG 65 2HH1 ARG 65 -7.852 0.661 9.496 397 HH21 ARG 65 1HH2 ARG 65 -6.240 -2.377 9.400 398 HH22 ARG 65 2HH2 ARG 65 -7.247 -1.261 10.314 399 H ILE 66 H ILE 66 -3.293 3.486 3.775 400 HA ILE 66 HA ILE 66 -1.456 3.124 5.990 401 HB ILE 66 HB ILE 66 -1.135 4.295 3.202 402 HG13 ILE 66 2HG1 ILE 66 -1.704 1.812 3.519 403 HG21 ILE 66 1HG2 ILE 66 1.316 4.093 3.525 404 HG22 ILE 66 2HG2 ILE 66 0.653 5.235 4.674 405 HG23 ILE 66 3HG2 ILE 66 1.066 3.581 5.202 406 HD11 ILE 66 3HD1 ILE 66 -0.051 0.906 2.036 407 HD12 ILE 66 1HD1 ILE 66 -0.486 2.530 1.490 408 HD13 ILE 66 2HD1 ILE 66 1.066 2.244 2.328 409 H ALA 67 H ALA 67 -2.871 6.118 4.621 410 HA ALA 67 HA ALA 67 -1.393 7.959 6.213 411 HB1 ALA 67 1HB ALA 67 -4.250 8.087 5.117 412 HB2 ALA 67 2HB ALA 67 -3.297 9.472 5.682 413 HB3 ALA 67 3HB ALA 67 -2.771 8.563 4.252 414 H ALA 68 H ALA 68 -4.214 5.967 6.961 415 HA ALA 68 HA ALA 68 -4.900 7.336 9.460 416 HB1 ALA 68 1HB ALA 68 -6.807 5.821 9.388 417 HB2 ALA 68 2HB ALA 68 -6.560 6.536 7.778 418 HB3 ALA 68 3HB ALA 68 -6.055 4.863 8.095 419 H LEU 69 H LEU 69 -3.250 4.294 8.557 420 HA LEU 69 HA LEU 69 -2.878 3.300 11.245 421 HB3 LEU 69 2HB LEU 69 -0.803 2.282 10.297 422 HG LEU 69 HG LEU 69 -3.292 1.911 8.582 423 HD11 LEU 69 1HD1 LEU 69 -1.244 1.104 7.488 424 HD12 LEU 69 2HD1 LEU 69 -2.276 -0.249 7.980 425 HD13 LEU 69 3HD1 LEU 69 -0.837 0.153 8.939 426 HD21 LEU 69 3HD2 LEU 69 -2.346 0.385 11.044 427 HD22 LEU 69 1HD2 LEU 69 -3.686 -0.099 9.977 428 HD23 LEU 69 2HD2 LEU 69 -3.815 1.384 10.914 429 H GLY 70 H GLY 70 -1.534 6.049 9.584 430 HA2 GLY 70 2HA GLY 70 -0.936 7.906 11.093 431 HA3 GLY 70 3HA GLY 70 0.101 6.787 11.999 432 H TYR 71 H TYR 71 0.225 6.272 8.595 433 HA TYR 71 HA TYR 71 2.978 7.409 8.558 434 HB3 TYR 71 2HB TYR 71 3.420 5.613 6.997 435 HD1 TYR 71 1HD TYR 71 3.504 5.757 10.082 436 HD2 TYR 71 2HD TYR 71 1.539 3.042 7.364 437 HE1 TYR 71 1HE TYR 71 3.370 4.058 11.875 438 HE2 TYR 71 2HE TYR 71 1.440 1.327 9.158 439 HH TYR 71 HH TYR 71 2.445 2.016 12.517 440 H THR 72 H THR 72 3.548 7.476 5.934 441 HA THR 72 HA THR 72 1.518 8.953 4.356 442 HB THR 72 HB THR 72 3.534 10.396 3.497 443 HG1 THR 72 1HG THR 72 5.228 9.669 4.517 444 HG21 THR 72 3HG2 THR 72 3.189 12.127 5.198 445 HG22 THR 72 1HG2 THR 72 2.311 10.964 6.218 446 HG23 THR 72 2HG2 THR 72 1.669 11.431 4.625 447 H LEU 73 H LEU 73 2.366 9.063 1.981 448 HA LEU 73 HA LEU 73 4.089 6.843 1.163 449 HB3 LEU 73 2HB LEU 73 2.056 5.629 1.891 450 HG LEU 73 HG LEU 73 0.652 7.433 -0.131 451 HD11 LEU 73 1HD1 LEU 73 -0.280 4.654 0.650 452 HD12 LEU 73 2HD1 LEU 73 0.437 5.093 -0.917 453 HD13 LEU 73 3HD1 LEU 73 -1.091 5.810 -0.436 454 HD21 LEU 73 3HD2 LEU 73 0.289 8.016 2.239 455 HD22 LEU 73 1HD2 LEU 73 -0.170 6.345 2.602 456 HD23 LEU 73 2HD2 LEU 73 -1.179 7.355 1.556 457 H ALA 74 H ALA 74 4.102 6.443 -1.169 458 HA ALA 74 HA ALA 74 2.887 8.439 -2.924 459 HB1 ALA 74 1HB ALA 74 5.002 9.255 -3.878 460 HB2 ALA 74 2HB ALA 74 4.900 9.644 -2.154 461 HB3 ALA 74 3HB ALA 74 5.922 8.298 -2.700 462 H GLU 75 H GLU 75 2.684 7.804 -5.040 463 HA GLU 75 HA GLU 75 4.205 5.448 -6.034 464 HB3 GLU 75 2HB GLU 75 1.174 5.687 -6.324 465 HG3 GLU 75 2HG GLU 75 1.540 3.117 -6.581 466 HA PRO 76 HA PRO 76 3.982 8.936 -9.083 467 HB3 PRO 76 2HB PRO 76 5.526 10.168 -7.848 468 HG3 PRO 76 2HG PRO 76 7.319 9.129 -6.679 469 HD3 PRO 76 2HD PRO 76 5.470 8.043 -5.806 Start of MODEL 8 1 H2 PRO 6 2H PRO 6 -7.546 -8.083 -15.422 2 HA PRO 6 HA PRO 6 -4.752 -8.504 -15.918 3 HB3 PRO 6 2HB PRO 6 -4.718 -8.253 -18.267 4 HG3 PRO 6 2HG PRO 6 -5.511 -10.456 -17.598 5 HD3 PRO 6 2HD PRO 6 -7.516 -10.652 -16.321 6 H LEU 7 H LEU 7 -3.922 -6.831 -14.872 7 HA LEU 7 HA LEU 7 -4.633 -4.092 -15.280 8 HB3 LEU 7 2HB LEU 7 -6.649 -4.850 -13.980 9 HG LEU 7 HG LEU 7 -4.754 -5.010 -11.633 10 HD11 LEU 7 1HD1 LEU 7 -6.770 -5.557 -10.334 11 HD12 LEU 7 2HD1 LEU 7 -7.765 -5.418 -11.802 12 HD13 LEU 7 3HD1 LEU 7 -6.922 -4.002 -11.137 13 HD21 LEU 7 3HD2 LEU 7 -5.596 -7.383 -11.320 14 HD22 LEU 7 1HD2 LEU 7 -4.547 -7.181 -12.714 15 HD23 LEU 7 2HD2 LEU 7 -6.314 -7.288 -12.937 16 H LYS 8 H LYS 8 -3.447 -2.634 -13.819 17 HA LYS 8 HA LYS 8 -0.717 -3.547 -14.056 18 HB3 LYS 8 2HB LYS 8 -0.140 -1.204 -13.468 19 HG3 LYS 8 2HG LYS 8 -2.462 -1.314 -15.439 20 HD3 LYS 8 2HD LYS 8 -1.359 0.450 -16.627 21 HE3 LYS 8 2HE LYS 8 -1.293 1.324 -13.707 22 HZ1 LYS 8 3HZ LYS 8 -1.980 3.415 -14.619 23 HZ2 LYS 8 1HZ LYS 8 -2.161 2.785 -16.128 24 HZ3 LYS 8 2HZ LYS 8 -0.658 2.949 -15.474 25 H THR 9 H THR 9 0.716 -4.201 -12.604 26 HA THR 9 HA THR 9 0.241 -3.724 -9.701 27 HB THR 9 HB THR 9 0.762 -6.069 -10.378 28 HG1 THR 9 1HG THR 9 1.868 -6.253 -8.505 29 HG21 THR 9 3HG2 THR 9 2.577 -5.692 -12.026 30 HG22 THR 9 1HG2 THR 9 3.101 -6.697 -10.671 31 HG23 THR 9 2HG2 THR 9 3.593 -4.995 -10.740 32 H GLN 10 H GLN 10 2.223 -3.132 -8.489 33 HA GLN 10 HA GLN 10 4.299 -1.642 -9.690 34 HB3 GLN 10 2HB GLN 10 2.813 0.149 -10.206 35 HG3 GLN 10 2HG GLN 10 1.689 1.318 -8.076 36 HE21 GLN 10 1HE2 GLN 10 -0.179 -1.587 -8.556 37 HE22 GLN 10 2HE2 GLN 10 -1.143 -0.974 -9.888 38 H GLN 11 H GLN 11 5.883 -1.175 -8.292 39 HA GLN 11 HA GLN 11 5.680 -2.014 -5.493 40 HB3 GLN 11 2HB GLN 11 8.029 -0.685 -6.906 41 HG3 GLN 11 2HG GLN 11 7.863 -2.765 -4.680 42 HE21 GLN 11 1HE2 GLN 11 9.474 -3.475 -6.803 43 HE22 GLN 11 2HE2 GLN 11 11.147 -3.084 -6.461 44 H MET 12 H MET 12 5.743 -0.654 -3.755 45 HA MET 12 HA MET 12 5.260 2.261 -4.181 46 HB3 MET 12 2HB MET 12 3.678 0.203 -2.586 47 HG3 MET 12 2HG MET 12 3.216 3.203 -2.762 48 HE1 MET 12 3HE MET 12 -0.455 2.272 -3.355 49 HE2 MET 12 1HE MET 12 0.862 3.396 -3.710 50 HE3 MET 12 2HE MET 12 0.985 1.690 -4.205 51 H GLN 13 H GLN 13 5.896 3.559 -2.502 52 HA GLN 13 HA GLN 13 7.710 2.378 -0.441 53 HB3 GLN 13 2HB GLN 13 8.643 4.801 -0.476 54 HG3 GLN 13 2HG GLN 13 8.994 2.882 -2.796 55 HE21 GLN 13 1HE2 GLN 13 9.141 4.033 -4.727 56 HE22 GLN 13 2HE2 GLN 13 10.111 5.503 -4.895 57 H VAL 14 H VAL 14 7.754 3.725 1.574 58 HA VAL 14 HA VAL 14 5.382 5.343 2.189 59 HB VAL 14 HB VAL 14 4.447 3.129 2.490 60 HG11 VAL 14 1HG1 VAL 14 6.472 1.811 2.910 61 HG12 VAL 14 2HG1 VAL 14 6.609 2.559 4.519 62 HG13 VAL 14 3HG1 VAL 14 5.226 1.521 4.127 63 HG21 VAL 14 3HG2 VAL 14 3.547 3.303 4.686 64 HG22 VAL 14 1HG2 VAL 14 4.904 4.295 5.250 65 HG23 VAL 14 2HG2 VAL 14 3.753 4.942 4.056 66 H GLY 15 H GLY 15 5.519 6.613 3.926 67 HA2 GLY 15 2HA GLY 15 8.137 7.524 4.564 68 HA3 GLY 15 3HA GLY 15 6.608 8.203 5.142 69 H GLY 16 H GLY 16 8.485 5.234 5.677 70 HA2 GLY 16 2HA GLY 16 9.973 4.989 7.507 71 HA3 GLY 16 3HA GLY 16 8.946 6.012 8.523 72 H MET 17 H MET 17 7.750 3.169 6.648 73 HA MET 17 HA MET 17 6.253 2.380 8.954 74 HB3 MET 17 2HB MET 17 6.733 0.821 6.388 75 HG3 MET 17 2HG MET 17 4.637 0.680 8.577 76 HE1 MET 17 3HE MET 17 1.863 1.782 6.254 77 HE2 MET 17 1HE MET 17 2.297 1.530 7.959 78 HE3 MET 17 2HE MET 17 3.341 2.511 6.906 79 H ARG 18 H ARG 18 9.576 1.554 8.327 80 HA ARG 18 HA ARG 18 9.463 -1.024 9.689 81 HB3 ARG 18 2HB ARG 18 11.937 -0.866 9.772 82 HG3 ARG 18 2HG ARG 18 10.799 -0.221 7.022 83 HD3 ARG 18 2HD ARG 18 12.733 -1.943 6.490 84 HE ARG 18 HE ARG 18 12.708 0.801 6.247 85 HH11 ARG 18 1HH1 ARG 18 15.386 -1.487 6.932 86 HH12 ARG 18 2HH1 ARG 18 16.489 -0.538 5.979 87 HH21 ARG 18 1HH2 ARG 18 14.132 1.876 5.120 88 HH22 ARG 18 2HH2 ARG 18 15.813 1.397 4.984 89 H CYS 19 H CYS 19 9.168 2.098 10.987 90 HA CYS 19 HA CYS 19 10.623 2.075 13.364 91 HB3 CYS 19 2HB CYS 19 8.679 3.473 14.237 92 HG CYS 19 HG CYS 19 9.521 4.225 11.120 93 H ALA 20 H ALA 20 7.941 -0.022 12.689 94 HA ALA 20 HA ALA 20 8.483 -1.670 14.954 95 HB1 ALA 20 1HB ALA 20 7.057 0.016 16.108 96 HB2 ALA 20 2HB ALA 20 5.761 -0.270 14.935 97 HB3 ALA 20 3HB ALA 20 6.268 -1.558 16.053 98 H ALA 21 H ALA 21 6.084 -3.224 14.850 99 HA ALA 21 HA ALA 21 6.492 -4.708 12.428 100 HB1 ALA 21 1HB ALA 21 5.984 -5.695 14.645 101 HB2 ALA 21 2HB ALA 21 4.364 -4.959 14.606 102 HB3 ALA 21 3HB ALA 21 4.804 -6.212 13.432 103 H CYS 22 H CYS 22 5.127 -1.897 12.259 104 HA CYS 22 HA CYS 22 2.422 -2.045 11.816 105 HB3 CYS 22 2HB CYS 22 2.757 0.197 10.713 106 HG CYS 22 HG CYS 22 2.502 -0.370 13.387 107 H ALA 23 H ALA 23 4.771 -2.872 9.260 108 HA ALA 23 HA ALA 23 3.189 -2.815 6.963 109 HB1 ALA 23 1HB ALA 23 4.555 -4.738 6.315 110 HB2 ALA 23 2HB ALA 23 5.541 -3.520 7.136 111 HB3 ALA 23 3HB ALA 23 5.038 -4.992 8.003 112 H SER 24 H SER 24 2.967 -5.107 9.752 113 HA SER 24 HA SER 24 1.102 -6.910 8.491 114 HB3 SER 24 2HB SER 24 0.748 -7.769 10.748 115 HG SER 24 HG SER 24 2.814 -8.407 11.103 116 H SER 25 H SER 25 0.556 -3.898 10.364 117 HA SER 25 HA SER 25 -2.350 -4.350 10.506 118 HB3 SER 25 2HB SER 25 -2.464 -2.076 11.400 119 HG SER 25 HG SER 25 -1.949 -3.729 12.829 120 H ILE 26 H ILE 26 -0.247 -3.301 8.070 121 HA ILE 26 HA ILE 26 -2.503 -2.084 6.523 122 HB ILE 26 HB ILE 26 0.380 -2.591 5.726 123 HG13 ILE 26 2HG1 ILE 26 0.702 -0.154 5.849 124 HG21 ILE 26 1HG2 ILE 26 -0.119 -1.052 3.844 125 HG22 ILE 26 2HG2 ILE 26 -1.049 -2.551 3.772 126 HG23 ILE 26 3HG2 ILE 26 -1.833 -1.051 4.316 127 HD11 ILE 26 3HD1 ILE 26 -0.666 1.188 7.362 128 HD12 ILE 26 1HD1 ILE 26 -1.623 0.686 5.961 129 HD13 ILE 26 2HD1 ILE 26 -1.838 -0.132 7.536 130 H GLU 27 H GLU 27 -0.219 -4.872 6.283 131 HA GLU 27 HA GLU 27 -1.454 -6.024 4.061 132 HB3 GLU 27 2HB GLU 27 0.005 -7.622 6.194 133 HG3 GLU 27 2HG GLU 27 -0.284 -7.764 3.158 134 H ARG 28 H ARG 28 -2.097 -6.720 7.529 135 HA ARG 28 HA ARG 28 -3.892 -8.878 7.164 136 HB3 ARG 28 2HB ARG 28 -3.693 -6.823 9.402 137 HG3 ARG 28 2HG ARG 28 -4.978 -9.579 9.327 138 HD3 ARG 28 2HD ARG 28 -4.071 -7.923 11.722 139 HE ARG 28 HE ARG 28 -6.020 -8.945 12.533 140 HH11 ARG 28 1HH1 ARG 28 -4.093 -11.485 10.927 141 HH12 ARG 28 2HH1 ARG 28 -4.959 -12.731 11.791 142 HH21 ARG 28 1HH2 ARG 28 -7.122 -10.558 13.415 143 HH22 ARG 28 2HH2 ARG 28 -6.697 -12.233 13.145 144 H ALA 29 H ALA 29 -4.452 -5.489 6.634 145 HA ALA 29 HA ALA 29 -7.407 -5.878 6.376 146 HB1 ALA 29 1HB ALA 29 -5.674 -3.368 6.227 147 HB2 ALA 29 2HB ALA 29 -7.452 -3.432 6.149 148 HB3 ALA 29 3HB ALA 29 -6.614 -3.903 7.640 149 H LEU 30 H LEU 30 -4.484 -5.001 4.487 150 HA LEU 30 HA LEU 30 -5.740 -4.442 2.019 151 HB3 LEU 30 2HB LEU 30 -2.969 -5.519 2.643 152 HG LEU 30 HG LEU 30 -3.261 -5.499 0.206 153 HD11 LEU 30 1HD1 LEU 30 -5.039 -3.816 -0.052 154 HD12 LEU 30 2HD1 LEU 30 -3.622 -3.355 -0.997 155 HD13 LEU 30 3HD1 LEU 30 -3.949 -2.542 0.548 156 HD21 LEU 30 3HD2 LEU 30 -1.076 -4.918 1.162 157 HD22 LEU 30 1HD2 LEU 30 -1.559 -3.214 1.313 158 HD23 LEU 30 2HD2 LEU 30 -1.365 -3.941 -0.290 159 H GLU 31 H GLU 31 -4.936 -7.579 3.432 160 HA GLU 31 HA GLU 31 -5.392 -9.159 1.061 161 HB3 GLU 31 2HB GLU 31 -4.157 -10.070 2.953 162 HG3 GLU 31 2HG GLU 31 -6.504 -9.206 4.551 163 H ARG 32 H ARG 32 -7.551 -7.343 3.018 164 HA ARG 32 HA ARG 32 -9.859 -8.930 2.080 165 HB3 ARG 32 2HB ARG 32 -11.150 -8.032 3.909 166 HG3 ARG 32 2HG ARG 32 -8.614 -8.876 5.278 167 HD3 ARG 32 2HD ARG 32 -11.470 -9.900 5.427 168 HE ARG 32 HE ARG 32 -8.956 -10.983 6.388 169 HH11 ARG 32 1HH1 ARG 32 -12.482 -11.085 6.985 170 HH12 ARG 32 2HH1 ARG 32 -12.357 -12.666 7.707 171 HH21 ARG 32 1HH2 ARG 32 -8.901 -12.824 7.571 172 HH22 ARG 32 2HH2 ARG 32 -10.370 -13.709 7.918 173 H LEU 33 H LEU 33 -8.596 -5.600 2.256 174 HA LEU 33 HA LEU 33 -10.681 -4.019 1.419 175 HB3 LEU 33 2HB LEU 33 -9.015 -2.648 0.135 176 HG LEU 33 HG LEU 33 -7.751 -3.561 2.738 177 HD11 LEU 33 1HD1 LEU 33 -6.273 -2.259 1.234 178 HD12 LEU 33 2HD1 LEU 33 -6.673 -1.368 2.710 179 HD13 LEU 33 3HD1 LEU 33 -7.483 -0.967 1.180 180 HD21 LEU 33 3HD2 LEU 33 -10.034 -2.811 3.212 181 HD22 LEU 33 1HD2 LEU 33 -9.747 -1.335 2.252 182 HD23 LEU 33 2HD2 LEU 33 -8.860 -1.608 3.766 183 H LYS 34 H LYS 34 -11.919 -3.565 -0.291 184 HA LYS 34 HA LYS 34 -12.066 -5.518 -2.428 185 HB3 LYS 34 2HB LYS 34 -13.940 -4.044 -3.208 186 HG3 LYS 34 2HG LYS 34 -14.199 -4.536 -0.225 187 HD3 LYS 34 2HD LYS 34 -16.039 -5.106 -2.589 188 HE3 LYS 34 2HE LYS 34 -16.644 -5.191 0.399 189 HZ1 LYS 34 3HZ LYS 34 -18.571 -6.443 -0.415 190 HZ2 LYS 34 1HZ LYS 34 -18.135 -6.196 -1.960 191 HZ3 LYS 34 2HZ LYS 34 -18.589 -4.909 -1.021 192 H GLY 35 H GLY 35 -12.139 -5.074 -4.720 193 HA2 GLY 35 2HA GLY 35 -11.540 -4.093 -6.720 194 HA3 GLY 35 3HA GLY 35 -10.948 -2.667 -5.841 195 H VAL 36 H VAL 36 -8.962 -3.873 -4.278 196 HA VAL 36 HA VAL 36 -6.755 -4.207 -6.113 197 HB VAL 36 HB VAL 36 -6.172 -3.215 -4.087 198 HG11 VAL 36 1HG1 VAL 36 -7.428 -5.536 -2.604 199 HG12 VAL 36 2HG1 VAL 36 -6.475 -4.250 -1.842 200 HG13 VAL 36 3HG1 VAL 36 -7.995 -3.850 -2.632 201 HG21 VAL 36 3HG2 VAL 36 -4.425 -4.847 -4.793 202 HG22 VAL 36 1HG2 VAL 36 -4.458 -4.617 -3.047 203 HG23 VAL 36 2HG2 VAL 36 -5.159 -6.081 -3.749 204 H ALA 37 H ALA 37 -5.785 -5.953 -6.923 205 HA ALA 37 HA ALA 37 -7.257 -8.550 -6.663 206 HB1 ALA 37 1HB ALA 37 -7.277 -7.302 -8.820 207 HB2 ALA 37 2HB ALA 37 -5.498 -7.461 -8.891 208 HB3 ALA 37 3HB ALA 37 -6.530 -8.900 -8.962 209 H GLU 38 H GLU 38 -4.189 -7.339 -5.805 210 HA GLU 38 HA GLU 38 -3.081 -9.778 -4.909 211 HB3 GLU 38 2HB GLU 38 -2.069 -8.811 -7.610 212 HG3 GLU 38 2HG GLU 38 -0.805 -10.823 -5.717 213 H ALA 39 H ALA 39 -1.426 -9.255 -3.434 214 HA ALA 39 HA ALA 39 0.187 -6.878 -3.654 215 HB1 ALA 39 1HB ALA 39 -1.963 -5.786 -3.003 216 HB2 ALA 39 2HB ALA 39 -2.038 -6.821 -1.561 217 HB3 ALA 39 3HB ALA 39 -0.733 -5.625 -1.747 218 H SER 40 H SER 40 1.744 -6.623 -1.931 219 HA SER 40 HA SER 40 1.780 -8.458 0.354 220 HB3 SER 40 2HB SER 40 3.968 -8.794 -1.723 221 HG SER 40 HG SER 40 4.727 -10.300 -0.371 222 H VAL 41 H VAL 41 3.045 -7.650 2.020 223 HA VAL 41 HA VAL 41 4.444 -5.076 1.559 224 HB VAL 41 HB VAL 41 4.845 -4.960 3.948 225 HG11 VAL 41 1HG1 VAL 41 1.997 -5.786 3.288 226 HG12 VAL 41 2HG1 VAL 41 2.531 -4.855 4.705 227 HG13 VAL 41 3HG1 VAL 41 2.722 -4.179 3.092 228 HG21 VAL 41 3HG2 VAL 41 3.773 -6.782 5.432 229 HG22 VAL 41 1HG2 VAL 41 3.935 -7.842 4.019 230 HG23 VAL 41 2HG2 VAL 41 5.357 -7.086 4.718 231 H THR 42 H THR 42 6.647 -4.679 2.277 232 HA THR 42 HA THR 42 8.529 -7.003 2.089 233 HB THR 42 HB THR 42 8.851 -4.356 0.629 234 HG1 THR 42 1HG THR 42 8.087 -5.271 -1.083 235 HG21 THR 42 3HG2 THR 42 10.616 -5.579 -0.606 236 HG22 THR 42 1HG2 THR 42 10.348 -7.013 0.411 237 HG23 THR 42 2HG2 THR 42 10.994 -5.515 1.118 238 H VAL 43 H VAL 43 8.458 -6.758 4.403 239 HA VAL 43 HA VAL 43 9.015 -4.348 5.805 240 HB VAL 43 HB VAL 43 9.379 -7.254 6.624 241 HG11 VAL 43 1HG1 VAL 43 10.859 -5.961 8.117 242 HG12 VAL 43 2HG1 VAL 43 9.585 -4.750 8.375 243 HG13 VAL 43 3HG1 VAL 43 9.396 -6.402 8.997 244 HG21 VAL 43 3HG2 VAL 43 7.042 -6.421 6.187 245 HG22 VAL 43 1HG2 VAL 43 7.309 -6.872 7.878 246 HG23 VAL 43 2HG2 VAL 43 7.316 -5.161 7.404 247 H ALA 44 H ALA 44 11.266 -6.841 4.514 248 HA ALA 44 HA ALA 44 13.611 -6.116 5.794 249 HB1 ALA 44 1HB ALA 44 14.742 -7.211 3.840 250 HB2 ALA 44 2HB ALA 44 13.386 -8.141 4.478 251 HB3 ALA 44 3HB ALA 44 13.193 -7.206 2.974 252 H THR 45 H THR 45 12.132 -4.272 3.178 253 HA THR 45 HA THR 45 14.292 -2.229 3.517 254 HB THR 45 HB THR 45 13.920 -1.563 1.120 255 HG1 THR 45 1HG THR 45 13.130 -3.354 -0.180 256 HG21 THR 45 3HG2 THR 45 15.445 -3.194 0.227 257 HG22 THR 45 1HG2 THR 45 14.980 -4.401 1.445 258 HG23 THR 45 2HG2 THR 45 15.877 -2.938 1.918 259 H GLY 46 H GLY 46 11.045 -2.893 3.953 260 HA2 GLY 46 2HA GLY 46 9.485 -1.507 4.943 261 HA3 GLY 46 3HA GLY 46 10.565 -0.106 4.689 262 H ARG 47 H ARG 47 9.267 -2.371 2.242 263 HA ARG 47 HA ARG 47 7.857 -0.077 0.897 264 HB3 ARG 47 2HB ARG 47 8.535 -1.170 -1.266 265 HG3 ARG 47 2HG ARG 47 10.948 -0.419 0.418 266 HD3 ARG 47 2HD ARG 47 10.260 -0.243 -2.538 267 HE ARG 47 HE ARG 47 12.399 1.123 -1.010 268 HH11 ARG 47 1HH1 ARG 47 11.356 0.145 -4.296 269 HH12 ARG 47 2HH1 ARG 47 12.182 1.515 -5.013 270 HH21 ARG 47 1HH2 ARG 47 13.474 2.816 -2.124 271 HH22 ARG 47 2HH2 ARG 47 13.348 2.879 -3.875 272 H LEU 48 H LEU 48 6.495 -1.119 -0.997 273 HA LEU 48 HA LEU 48 4.906 -3.494 -0.138 274 HB3 LEU 48 2HB LEU 48 3.111 -1.552 -1.255 275 HG LEU 48 HG LEU 48 3.554 -2.425 1.617 276 HD11 LEU 48 1HD1 LEU 48 1.373 -0.651 0.430 277 HD12 LEU 48 2HD1 LEU 48 2.605 -0.155 1.612 278 HD13 LEU 48 3HD1 LEU 48 1.363 -1.333 2.072 279 HD21 LEU 48 3HD2 LEU 48 1.393 -3.630 1.209 280 HD22 LEU 48 1HD2 LEU 48 2.644 -4.159 0.080 281 HD23 LEU 48 2HD2 LEU 48 1.380 -3.044 -0.463 282 H THR 49 H THR 49 3.573 -4.347 -1.874 283 HA THR 49 HA THR 49 3.983 -3.322 -4.641 284 HB THR 49 HB THR 49 3.973 -6.295 -4.007 285 HG1 THR 49 1HG THR 49 5.968 -5.888 -3.577 286 HG21 THR 49 3HG2 THR 49 4.580 -6.519 -6.386 287 HG22 THR 49 1HG2 THR 49 4.499 -4.755 -6.597 288 HG23 THR 49 2HG2 THR 49 3.034 -5.697 -6.228 289 H VAL 50 H VAL 50 2.060 -3.229 -5.693 290 HA VAL 50 HA VAL 50 -0.310 -4.648 -4.623 291 HB VAL 50 HB VAL 50 -0.160 -2.674 -3.194 292 HG11 VAL 50 1HG1 VAL 50 1.006 -1.092 -4.710 293 HG12 VAL 50 2HG1 VAL 50 -0.470 -0.950 -5.690 294 HG13 VAL 50 3HG1 VAL 50 -0.461 -0.401 -4.007 295 HG21 VAL 50 3HG2 VAL 50 -2.502 -2.415 -5.123 296 HG22 VAL 50 1HG2 VAL 50 -2.382 -3.576 -3.784 297 HG23 VAL 50 2HG2 VAL 50 -2.424 -1.840 -3.449 298 H THR 51 H THR 51 -1.847 -5.074 -6.055 299 HA THR 51 HA THR 51 -1.665 -4.020 -8.854 300 HB THR 51 HB THR 51 -2.888 -6.600 -7.776 301 HG1 THR 51 1HG THR 51 -0.599 -6.458 -7.799 302 HG21 THR 51 3HG2 THR 51 -2.997 -7.182 -10.226 303 HG22 THR 51 1HG2 THR 51 -2.537 -5.504 -10.625 304 HG23 THR 51 2HG2 THR 51 -4.055 -5.855 -9.774 305 H TYR 52 H TYR 52 -3.189 -2.605 -9.442 306 HA TYR 52 HA TYR 52 -5.954 -2.942 -8.530 307 HB3 TYR 52 2HB TYR 52 -4.921 -1.550 -6.758 308 HD1 TYR 52 1HD TYR 52 -5.871 1.106 -9.191 309 HD2 TYR 52 2HD TYR 52 -2.710 -0.538 -6.770 310 HE1 TYR 52 1HE TYR 52 -4.526 3.173 -9.543 311 HE2 TYR 52 2HE TYR 52 -1.383 1.546 -7.079 312 HH TYR 52 HH TYR 52 -1.316 3.699 -8.046 313 H ASP 53 H ASP 53 -7.523 -1.633 -9.692 314 HA ASP 53 HA ASP 53 -6.689 -1.152 -12.486 315 HB3 ASP 53 2HB ASP 53 -9.412 -1.547 -11.203 316 HA PRO 54 HA PRO 54 -6.687 3.100 -11.063 317 HB3 PRO 54 2HB PRO 54 -4.759 3.222 -12.368 318 HG3 PRO 54 2HG PRO 54 -4.692 2.284 -14.584 319 HD3 PRO 54 2HD PRO 54 -5.188 0.539 -13.062 320 H LYS 55 H LYS 55 -9.185 1.849 -12.611 321 HA LYS 55 HA LYS 55 -10.583 4.465 -12.962 322 HB3 LYS 55 2HB LYS 55 -11.840 3.395 -14.887 323 HG3 LYS 55 2HG LYS 55 -10.016 3.506 -16.603 324 HD3 LYS 55 2HD LYS 55 -10.146 5.764 -14.566 325 HE3 LYS 55 2HE LYS 55 -9.092 5.827 -17.416 326 HZ1 LYS 55 3HZ LYS 55 -9.085 7.936 -15.329 327 HZ2 LYS 55 1HZ LYS 55 -10.197 7.859 -16.552 328 HZ3 LYS 55 2HZ LYS 55 -8.600 8.092 -16.884 329 H GLN 56 H GLN 56 -10.906 0.996 -12.163 330 HA GLN 56 HA GLN 56 -13.514 1.345 -10.875 331 HB3 GLN 56 2HB GLN 56 -12.823 -0.726 -9.600 332 HG3 GLN 56 2HG GLN 56 -12.482 -2.269 -11.551 333 HE21 GLN 56 1HE2 GLN 56 -14.215 -2.219 -13.600 334 HE22 GLN 56 2HE2 GLN 56 -15.849 -1.977 -12.981 335 H VAL 57 H VAL 57 -10.099 1.691 -9.801 336 HA VAL 57 HA VAL 57 -10.956 3.261 -7.458 337 HB VAL 57 HB VAL 57 -9.523 2.040 -5.891 338 HG11 VAL 57 1HG1 VAL 57 -10.903 0.104 -5.456 339 HG12 VAL 57 2HG1 VAL 57 -11.909 1.487 -5.921 340 HG13 VAL 57 3HG1 VAL 57 -11.600 0.165 -7.079 341 HG21 VAL 57 3HG2 VAL 57 -9.273 -0.133 -8.044 342 HG22 VAL 57 1HG2 VAL 57 -7.959 0.935 -7.517 343 HG23 VAL 57 2HG2 VAL 57 -8.661 -0.220 -6.382 344 H SER 58 H SER 58 -8.310 3.351 -6.296 345 HA SER 58 HA SER 58 -6.345 4.096 -8.293 346 HB3 SER 58 2HB SER 58 -7.959 6.035 -8.315 347 HG SER 58 HG SER 58 -8.650 6.692 -6.469 348 H GLU 59 H GLU 59 -4.659 5.615 -6.748 349 HA GLU 59 HA GLU 59 -3.578 4.248 -4.581 350 HB3 GLU 59 2HB GLU 59 -2.611 6.244 -5.666 351 HG3 GLU 59 2HG GLU 59 -4.647 7.860 -4.061 352 H ILE 60 H ILE 60 -6.629 6.022 -4.619 353 HA ILE 60 HA ILE 60 -6.826 6.853 -1.932 354 HB ILE 60 HB ILE 60 -8.860 6.130 -4.042 355 HG13 ILE 60 2HG1 ILE 60 -9.179 8.493 -4.276 356 HG21 ILE 60 1HG2 ILE 60 -10.601 7.192 -2.661 357 HG22 ILE 60 2HG2 ILE 60 -10.020 5.651 -2.048 358 HG23 ILE 60 3HG2 ILE 60 -9.482 7.152 -1.267 359 HD11 ILE 60 3HD1 ILE 60 -7.191 8.995 -2.018 360 HD12 ILE 60 1HD1 ILE 60 -7.879 10.206 -3.106 361 HD13 ILE 60 2HD1 ILE 60 -8.936 9.353 -1.976 362 H THR 61 H THR 61 -7.915 3.681 -3.243 363 HA THR 61 HA THR 61 -9.071 2.671 -0.888 364 HB THR 61 HB THR 61 -7.598 1.288 -3.159 365 HG1 THR 61 1HG THR 61 -10.247 0.880 -2.973 366 HG21 THR 61 3HG2 THR 61 -8.857 -0.771 -2.527 367 HG22 THR 61 1HG2 THR 61 -9.369 0.017 -1.013 368 HG23 THR 61 2HG2 THR 61 -7.653 -0.341 -1.315 369 H ILE 62 H ILE 62 -5.642 2.965 -1.620 370 HA ILE 62 HA ILE 62 -4.933 1.485 0.900 371 HB ILE 62 HB ILE 62 -4.195 0.526 -1.234 372 HG13 ILE 62 2HG1 ILE 62 -3.119 0.100 0.942 373 HG21 ILE 62 1HG2 ILE 62 -2.399 2.969 -1.483 374 HG22 ILE 62 2HG2 ILE 62 -2.344 1.505 -2.492 375 HG23 ILE 62 3HG2 ILE 62 -3.756 2.534 -2.551 376 HD11 ILE 62 3HD1 ILE 62 -1.026 0.134 -1.272 377 HD12 ILE 62 1HD1 ILE 62 -1.070 -0.891 0.168 378 HD13 ILE 62 2HD1 ILE 62 -2.290 -1.108 -1.101 379 H GLN 63 H GLN 63 -4.643 4.666 -0.619 380 HA GLN 63 HA GLN 63 -3.109 5.986 1.422 381 HB3 GLN 63 2HB GLN 63 -4.675 7.940 0.897 382 HG3 GLN 63 2HG GLN 63 -4.195 8.170 -1.577 383 HE21 GLN 63 1HE2 GLN 63 -1.910 8.836 -2.385 384 HE22 GLN 63 2HE2 GLN 63 -0.778 9.291 -1.106 385 H GLU 64 H GLU 64 -6.622 5.228 1.219 386 HA GLU 64 HA GLU 64 -7.572 6.169 3.672 387 HB3 GLU 64 2HB GLU 64 -9.109 4.060 3.434 388 HG3 GLU 64 2HG GLU 64 -8.955 6.100 1.184 389 H ARG 65 H ARG 65 -5.625 3.271 3.173 390 HA ARG 65 HA ARG 65 -6.027 2.401 5.977 391 HB3 ARG 65 2HB ARG 65 -4.538 1.133 3.629 392 HG3 ARG 65 2HG ARG 65 -3.753 0.029 5.613 393 HD3 ARG 65 2HD ARG 65 -5.272 0.562 7.369 394 HE ARG 65 HE ARG 65 -7.388 0.362 5.705 395 HH11 ARG 65 1HH1 ARG 65 -6.795 -1.491 8.709 396 HH12 ARG 65 2HH1 ARG 65 -8.494 -1.550 9.036 397 HH21 ARG 65 1HH2 ARG 65 -9.462 0.143 6.172 398 HH22 ARG 65 2HH2 ARG 65 -9.991 -0.797 7.564 399 H ILE 66 H ILE 66 -3.307 3.404 3.822 400 HA ILE 66 HA ILE 66 -1.339 3.097 5.959 401 HB ILE 66 HB ILE 66 -1.209 4.417 3.224 402 HG13 ILE 66 2HG1 ILE 66 -1.547 1.857 3.476 403 HG21 ILE 66 1HG2 ILE 66 1.048 3.876 5.216 404 HG22 ILE 66 2HG2 ILE 66 1.282 4.379 3.533 405 HG23 ILE 66 3HG2 ILE 66 0.498 5.471 4.662 406 HD11 ILE 66 3HD1 ILE 66 1.050 2.619 2.106 407 HD12 ILE 66 1HD1 ILE 66 0.011 1.219 1.796 408 HD13 ILE 66 2HD1 ILE 66 -0.591 2.842 1.428 409 H ALA 67 H ALA 67 -3.159 5.954 4.773 410 HA ALA 67 HA ALA 67 -1.760 7.765 6.551 411 HB1 ALA 67 1HB ALA 67 -3.513 9.350 5.909 412 HB2 ALA 67 2HB ALA 67 -2.920 8.494 4.476 413 HB3 ALA 67 3HB ALA 67 -4.482 8.045 5.203 414 H ALA 68 H ALA 68 -4.355 5.450 7.068 415 HA ALA 68 HA ALA 68 -5.479 6.756 9.439 416 HB1 ALA 68 1HB ALA 68 -6.805 4.661 9.579 417 HB2 ALA 68 2HB ALA 68 -6.896 5.390 7.969 418 HB3 ALA 68 3HB ALA 68 -5.868 3.971 8.239 419 H LEU 69 H LEU 69 -3.234 4.057 8.767 420 HA LEU 69 HA LEU 69 -2.575 3.543 11.534 421 HB3 LEU 69 2HB LEU 69 -0.370 2.702 10.183 422 HG LEU 69 HG LEU 69 -1.360 0.544 9.828 423 HD11 LEU 69 1HD1 LEU 69 -0.755 1.253 12.143 424 HD12 LEU 69 2HD1 LEU 69 -2.029 0.021 12.095 425 HD13 LEU 69 3HD1 LEU 69 -2.455 1.690 12.427 426 HD21 LEU 69 3HD2 LEU 69 -3.718 0.050 10.189 427 HD22 LEU 69 1HD2 LEU 69 -3.540 1.220 8.873 428 HD23 LEU 69 2HD2 LEU 69 -4.080 1.761 10.478 429 H GLY 70 H GLY 70 -1.796 6.234 9.584 430 HA2 GLY 70 2HA GLY 70 -1.040 8.208 10.635 431 HA3 GLY 70 3HA GLY 70 -0.049 7.264 11.765 432 H TYR 71 H TYR 71 0.513 5.989 8.738 433 HA TYR 71 HA TYR 71 3.011 7.568 8.351 434 HB3 TYR 71 2HB TYR 71 3.618 5.721 6.826 435 HD1 TYR 71 2HD TYR 71 5.326 5.942 8.638 436 HD2 TYR 71 1HD TYR 71 1.683 3.713 9.206 437 HE1 TYR 71 2HE TYR 71 6.325 4.814 10.616 438 HE2 TYR 71 1HE TYR 71 2.683 2.576 11.178 439 HH TYR 71 HH TYR 71 4.567 2.336 12.500 440 H THR 72 H THR 72 3.405 7.386 5.606 441 HA THR 72 HA THR 72 0.942 8.010 4.152 442 HB THR 72 HB THR 72 3.063 10.154 4.547 443 HG1 THR 72 1HG THR 72 0.881 9.684 5.723 444 HG21 THR 72 3HG2 THR 72 0.874 10.025 2.416 445 HG22 THR 72 1HG2 THR 72 2.629 10.144 2.135 446 HG23 THR 72 2HG2 THR 72 1.765 11.494 2.873 447 H LEU 73 H LEU 73 1.101 7.165 2.155 448 HA LEU 73 HA LEU 73 3.515 5.738 1.425 449 HB3 LEU 73 2HB LEU 73 1.201 4.879 1.245 450 HG LEU 73 HG LEU 73 0.339 7.003 -0.121 451 HD11 LEU 73 1HD1 LEU 73 1.422 5.210 -2.334 452 HD12 LEU 73 2HD1 LEU 73 1.714 6.949 -2.100 453 HD13 LEU 73 3HD1 LEU 73 0.123 6.395 -2.578 454 HD21 LEU 73 3HD2 LEU 73 -0.412 4.104 -0.720 455 HD22 LEU 73 1HD2 LEU 73 -1.434 5.499 -1.090 456 HD23 LEU 73 2HD2 LEU 73 -1.055 5.111 0.594 457 H ALA 74 H ALA 74 4.342 5.617 -0.771 458 HA ALA 74 HA ALA 74 4.016 8.003 -2.479 459 HB1 ALA 74 1HB ALA 74 6.664 6.907 -1.419 460 HB2 ALA 74 2HB ALA 74 6.567 7.926 -2.862 461 HB3 ALA 74 3HB ALA 74 6.041 8.552 -1.281 462 H GLU 75 H GLU 75 4.170 7.551 -4.683 463 HA GLU 75 HA GLU 75 4.774 4.830 -5.620 464 HB3 GLU 75 2HB GLU 75 1.921 5.853 -5.688 465 HG3 GLU 75 2HG GLU 75 1.827 3.161 -6.213 466 HA PRO 76 HA PRO 76 5.928 8.186 -8.346 467 HB3 PRO 76 2HB PRO 76 8.079 7.457 -7.888 468 HG3 PRO 76 2HG PRO 76 8.628 5.121 -7.864 469 HD3 PRO 76 2HD PRO 76 6.904 5.443 -6.292 Start of MODEL 9 1 H2 PRO 6 2H PRO 6 -7.149 -3.850 -17.548 2 HA PRO 6 HA PRO 6 -6.242 -6.604 -17.188 3 HB3 PRO 6 2HB PRO 6 -4.474 -6.347 -18.599 4 HG3 PRO 6 2HG PRO 6 -5.631 -5.640 -20.512 5 HD3 PRO 6 2HD PRO 6 -7.623 -6.114 -19.368 6 H LEU 7 H LEU 7 -5.465 -6.888 -15.171 7 HA LEU 7 HA LEU 7 -5.509 -4.861 -13.193 8 HB3 LEU 7 2HB LEU 7 -3.826 -6.719 -12.121 9 HG LEU 7 HG LEU 7 -5.938 -6.262 -11.122 10 HD11 LEU 7 1HD1 LEU 7 -7.312 -7.789 -13.373 11 HD12 LEU 7 2HD1 LEU 7 -7.418 -6.036 -13.104 12 HD13 LEU 7 3HD1 LEU 7 -8.078 -7.137 -11.906 13 HD21 LEU 7 3HD2 LEU 7 -4.862 -8.431 -10.601 14 HD22 LEU 7 1HD2 LEU 7 -5.817 -9.203 -11.881 15 HD23 LEU 7 2HD2 LEU 7 -6.628 -8.520 -10.464 16 H LYS 8 H LYS 8 -4.136 -3.497 -12.303 17 HA LYS 8 HA LYS 8 -1.480 -3.051 -13.618 18 HB3 LYS 8 2HB LYS 8 -1.751 -0.800 -12.312 19 HG3 LYS 8 2HG LYS 8 -3.469 -1.408 -14.744 20 HD3 LYS 8 2HD LYS 8 -4.099 0.792 -13.926 21 HE3 LYS 8 2HE LYS 8 -1.118 1.385 -13.861 22 HZ1 LYS 8 3HZ LYS 8 -1.786 3.592 -13.230 23 HZ2 LYS 8 1HZ LYS 8 -3.379 3.250 -13.422 24 HZ3 LYS 8 2HZ LYS 8 -2.380 3.256 -14.732 25 H THR 9 H THR 9 0.340 -2.962 -12.462 26 HA THR 9 HA THR 9 0.272 -3.545 -9.530 27 HB THR 9 HB THR 9 2.468 -3.928 -11.598 28 HG1 THR 9 1HG THR 9 0.810 -5.525 -11.458 29 HG21 THR 9 3HG2 THR 9 3.722 -4.989 -9.707 30 HG22 THR 9 1HG2 THR 9 2.522 -4.344 -8.568 31 HG23 THR 9 2HG2 THR 9 3.567 -3.249 -9.511 32 H GLN 10 H GLN 10 1.527 -2.154 -8.140 33 HA GLN 10 HA GLN 10 2.956 0.061 -9.325 34 HB3 GLN 10 2HB GLN 10 0.655 0.611 -7.388 35 HG3 GLN 10 2HG GLN 10 2.468 2.270 -7.023 36 HE21 GLN 10 1HE2 GLN 10 1.574 4.486 -9.326 37 HE22 GLN 10 2HE2 GLN 10 2.853 4.236 -10.518 38 H GLN 11 H GLN 11 4.388 1.040 -7.835 39 HA GLN 11 HA GLN 11 4.903 -0.437 -5.299 40 HB3 GLN 11 2HB GLN 11 6.998 0.640 -7.240 41 HG3 GLN 11 2HG GLN 11 7.184 -1.499 -5.101 42 HE21 GLN 11 1HE2 GLN 11 9.393 -2.045 -4.469 43 HE22 GLN 11 2HE2 GLN 11 10.651 -1.965 -5.697 44 H MET 12 H MET 12 5.309 0.939 -3.555 45 HA MET 12 HA MET 12 5.861 3.801 -4.096 46 HB3 MET 12 2HB MET 12 3.501 3.849 -3.803 47 HG3 MET 12 2HG MET 12 2.558 3.255 -1.477 48 HE1 MET 12 3HE MET 12 0.447 1.611 -4.253 49 HE2 MET 12 1HE MET 12 0.629 2.958 -3.108 50 HE3 MET 12 2HE MET 12 1.656 2.869 -4.557 51 H GLN 13 H GLN 13 6.845 4.928 -2.474 52 HA GLN 13 HA GLN 13 8.469 3.225 -0.626 53 HB3 GLN 13 2HB GLN 13 10.122 5.006 -0.717 54 HG3 GLN 13 2HG GLN 13 10.748 5.127 -3.109 55 HE21 GLN 13 1HE2 GLN 13 10.796 2.890 -4.714 56 HE22 GLN 13 2HE2 GLN 13 11.452 1.593 -3.713 57 H VAL 14 H VAL 14 8.137 3.537 1.565 58 HA VAL 14 HA VAL 14 5.946 5.467 2.256 59 HB VAL 14 HB VAL 14 5.944 2.455 2.329 60 HG11 VAL 14 1HG1 VAL 14 5.388 3.006 4.667 61 HG12 VAL 14 2HG1 VAL 14 4.194 4.205 4.125 62 HG13 VAL 14 3HG1 VAL 14 3.940 2.482 3.802 63 HG21 VAL 14 3HG2 VAL 14 3.817 4.486 1.607 64 HG22 VAL 14 1HG2 VAL 14 4.899 3.685 0.447 65 HG23 VAL 14 2HG2 VAL 14 3.733 2.736 1.377 66 H GLY 15 H GLY 15 6.072 6.405 4.124 67 HA2 GLY 15 2HA GLY 15 8.638 6.177 5.545 68 HA3 GLY 15 3HA GLY 15 7.468 7.503 5.640 69 H GLY 16 H GLY 16 8.914 5.258 7.393 70 HA2 GLY 16 2HA GLY 16 8.731 4.982 9.683 71 HA3 GLY 16 3HA GLY 16 7.053 5.562 9.634 72 H MET 17 H MET 17 7.013 3.192 7.371 73 HA MET 17 HA MET 17 5.580 1.486 9.268 74 HB3 MET 17 2HB MET 17 5.716 1.109 6.267 75 HG3 MET 17 2HG MET 17 3.503 0.802 8.349 76 HE1 MET 17 3HE MET 17 3.017 -0.596 3.975 77 HE2 MET 17 1HE MET 17 4.507 0.217 4.484 78 HE3 MET 17 2HE MET 17 4.061 -1.342 5.206 79 H ARG 18 H ARG 18 8.750 1.359 8.483 80 HA ARG 18 HA ARG 18 9.323 -1.290 7.702 81 HB3 ARG 18 2HB ARG 18 10.877 0.487 9.628 82 HG3 ARG 18 2HG ARG 18 11.844 -1.620 7.644 83 HD3 ARG 18 2HD ARG 18 13.345 0.187 9.595 84 HE ARG 18 HE ARG 18 14.764 -1.495 7.636 85 HH11 ARG 18 1HH1 ARG 18 13.671 -1.414 11.038 86 HH12 ARG 18 2HH1 ARG 18 14.851 -2.655 11.452 87 HH21 ARG 18 1HH2 ARG 18 16.428 -2.813 8.433 88 HH22 ARG 18 2HH2 ARG 18 16.269 -3.425 10.072 89 H CYS 19 H CYS 19 9.511 -3.164 8.705 90 HA CYS 19 HA CYS 19 9.633 -4.831 10.234 91 HB3 CYS 19 2HB CYS 19 9.363 -4.555 12.638 92 HG CYS 19 HG CYS 19 11.707 -4.657 11.526 93 H ALA 20 H ALA 20 8.267 -6.339 11.236 94 HA ALA 20 HA ALA 20 6.065 -6.558 9.508 95 HB1 ALA 20 1HB ALA 20 7.576 -8.371 10.288 96 HB2 ALA 20 2HB ALA 20 6.803 -8.297 11.893 97 HB3 ALA 20 3HB ALA 20 5.871 -8.781 10.460 98 H ALA 21 H ALA 21 5.992 -5.863 13.037 99 HA ALA 21 HA ALA 21 3.144 -6.172 13.337 100 HB1 ALA 21 1HB ALA 21 5.136 -4.479 14.918 101 HB2 ALA 21 2HB ALA 21 3.512 -4.958 15.455 102 HB3 ALA 21 3HB ALA 21 4.761 -6.192 15.211 103 H CYS 22 H CYS 22 5.077 -3.595 12.002 104 HA CYS 22 HA CYS 22 2.863 -1.646 12.026 105 HB3 CYS 22 2HB CYS 22 4.654 -0.129 11.105 106 HG CYS 22 HG CYS 22 6.491 -0.103 13.088 107 H ALA 23 H ALA 23 4.894 -3.306 9.578 108 HA ALA 23 HA ALA 23 3.421 -2.765 7.250 109 HB1 ALA 23 1HB ALA 23 5.518 -4.113 7.406 110 HB2 ALA 23 2HB ALA 23 4.624 -5.399 8.248 111 HB3 ALA 23 3HB ALA 23 4.232 -5.023 6.574 112 H SER 24 H SER 24 2.525 -4.916 9.960 113 HA SER 24 HA SER 24 0.404 -6.286 8.543 114 HB3 SER 24 2HB SER 24 -0.345 -6.944 10.847 115 HG SER 24 HG SER 24 2.463 -7.247 10.496 116 H SER 25 H SER 25 0.430 -3.222 10.296 117 HA SER 25 HA SER 25 -2.389 -2.980 10.689 118 HB3 SER 25 2HB SER 25 -1.928 -0.712 11.279 119 HG SER 25 HG SER 25 0.037 -0.916 12.548 120 H ILE 26 H ILE 26 -0.310 -2.356 7.976 121 HA ILE 26 HA ILE 26 -2.582 -1.398 6.282 122 HB ILE 26 HB ILE 26 0.418 -1.512 6.000 123 HG13 ILE 26 2HG1 ILE 26 -1.625 0.585 5.134 124 HG21 ILE 26 1HG2 ILE 26 -1.496 -1.497 3.632 125 HG22 ILE 26 2HG2 ILE 26 0.211 -1.013 3.578 126 HG23 ILE 26 3HG2 ILE 26 -0.191 -2.671 3.976 127 HD11 ILE 26 3HD1 ILE 26 0.126 0.540 7.625 128 HD12 ILE 26 1HD1 ILE 26 -0.644 1.992 6.961 129 HD13 ILE 26 2HD1 ILE 26 -1.652 0.663 7.555 130 H GLU 27 H GLU 27 -0.287 -4.154 6.450 131 HA GLU 27 HA GLU 27 -1.265 -5.209 4.026 132 HB3 GLU 27 2HB GLU 27 0.284 -6.821 6.076 133 HG3 GLU 27 2HG GLU 27 0.459 -6.696 3.024 134 H ARG 28 H ARG 28 -2.101 -6.159 7.401 135 HA ARG 28 HA ARG 28 -3.505 -8.530 6.622 136 HB3 ARG 28 2HB ARG 28 -3.933 -6.859 9.130 137 HG3 ARG 28 2HG ARG 28 -4.492 -9.763 8.418 138 HD3 ARG 28 2HD ARG 28 -3.365 -9.718 10.605 139 HE ARG 28 HE ARG 28 -3.777 -7.886 11.933 140 HH11 ARG 28 1HH1 ARG 28 -7.003 -9.040 10.867 141 HH12 ARG 28 2HH1 ARG 28 -7.769 -7.765 11.787 142 HH21 ARG 28 1HH2 ARG 28 -4.997 -6.565 13.330 143 HH22 ARG 28 2HH2 ARG 28 -6.734 -6.512 13.096 144 H ALA 29 H ALA 29 -4.558 -5.161 6.729 145 HA ALA 29 HA ALA 29 -7.320 -5.817 5.912 146 HB1 ALA 29 1HB ALA 29 -7.569 -3.351 5.859 147 HB2 ALA 29 2HB ALA 29 -6.931 -3.910 7.416 148 HB3 ALA 29 3HB ALA 29 -5.841 -3.164 6.224 149 H LEU 30 H LEU 30 -4.273 -4.812 4.336 150 HA LEU 30 HA LEU 30 -5.315 -3.643 2.036 151 HB3 LEU 30 2HB LEU 30 -2.767 -5.273 2.373 152 HG LEU 30 HG LEU 30 -3.002 -4.864 -0.001 153 HD11 LEU 30 1HD1 LEU 30 -4.660 -3.091 -0.079 154 HD12 LEU 30 2HD1 LEU 30 -3.209 -2.533 -0.901 155 HD13 LEU 30 3HD1 LEU 30 -3.567 -1.963 0.750 156 HD21 LEU 30 3HD2 LEU 30 -1.023 -3.425 -0.363 157 HD22 LEU 30 1HD2 LEU 30 -0.775 -4.513 1.018 158 HD23 LEU 30 2HD2 LEU 30 -1.162 -2.799 1.290 159 H GLU 31 H GLU 31 -4.631 -7.140 2.504 160 HA GLU 31 HA GLU 31 -5.605 -7.790 -0.166 161 HB3 GLU 31 2HB GLU 31 -3.940 -9.172 0.793 162 HG3 GLU 31 2HG GLU 31 -5.946 -9.956 2.949 163 H ARG 32 H ARG 32 -7.260 -6.773 2.529 164 HA ARG 32 HA ARG 32 -9.689 -8.304 1.862 165 HB3 ARG 32 2HB ARG 32 -10.608 -7.462 3.988 166 HG3 ARG 32 2HG ARG 32 -8.955 -8.371 5.656 167 HD3 ARG 32 2HD ARG 32 -8.825 -10.710 4.667 168 HE ARG 32 HE ARG 32 -11.059 -9.426 5.666 169 HH11 ARG 32 1HH1 ARG 32 -10.444 -12.212 3.526 170 HH12 ARG 32 2HH1 ARG 32 -11.962 -12.959 4.015 171 HH21 ARG 32 1HH2 ARG 32 -13.006 -10.531 6.153 172 HH22 ARG 32 2HH2 ARG 32 -13.297 -12.073 5.365 173 H LEU 33 H LEU 33 -8.260 -5.126 1.465 174 HA LEU 33 HA LEU 33 -10.598 -3.526 1.141 175 HB3 LEU 33 2HB LEU 33 -9.170 -2.103 -0.322 176 HG LEU 33 HG LEU 33 -7.536 -3.027 2.065 177 HD11 LEU 33 1HD1 LEU 33 -6.345 -1.638 0.343 178 HD12 LEU 33 2HD1 LEU 33 -6.457 -0.867 1.934 179 HD13 LEU 33 3HD1 LEU 33 -7.532 -0.353 0.620 180 HD21 LEU 33 3HD2 LEU 33 -8.533 -1.094 3.268 181 HD22 LEU 33 1HD2 LEU 33 -9.749 -2.318 2.870 182 HD23 LEU 33 2HD2 LEU 33 -9.635 -0.823 1.904 183 H LYS 34 H LYS 34 -12.245 -3.629 -0.241 184 HA LYS 34 HA LYS 34 -12.307 -5.544 -2.365 185 HB3 LYS 34 2HB LYS 34 -14.154 -3.216 -1.686 186 HG3 LYS 34 2HG LYS 34 -14.649 -3.877 -3.985 187 HD3 LYS 34 2HD LYS 34 -14.879 -6.724 -2.898 188 HE3 LYS 34 2HE LYS 34 -15.482 -5.482 -5.619 189 HZ1 LYS 34 3HZ LYS 34 -15.296 -8.336 -4.845 190 HZ2 LYS 34 1HZ LYS 34 -14.291 -7.545 -5.880 191 HZ3 LYS 34 2HZ LYS 34 -15.870 -7.782 -6.286 192 H GLY 35 H GLY 35 -11.372 -5.444 -4.283 193 HA2 GLY 35 2HA GLY 35 -11.168 -4.305 -6.454 194 HA3 GLY 35 3HA GLY 35 -10.780 -2.806 -5.589 195 H VAL 36 H VAL 36 -9.083 -4.541 -3.640 196 HA VAL 36 HA VAL 36 -6.590 -4.442 -5.211 197 HB VAL 36 HB VAL 36 -7.113 -5.122 -2.294 198 HG11 VAL 36 1HG1 VAL 36 -4.475 -4.818 -3.797 199 HG12 VAL 36 2HG1 VAL 36 -4.621 -4.839 -2.028 200 HG13 VAL 36 3HG1 VAL 36 -5.059 -6.272 -2.958 201 HG21 VAL 36 3HG2 VAL 36 -5.946 -2.642 -3.657 202 HG22 VAL 36 1HG2 VAL 36 -7.528 -2.745 -2.852 203 HG23 VAL 36 2HG2 VAL 36 -6.048 -2.892 -1.904 204 H ALA 37 H ALA 37 -5.370 -6.171 -5.830 205 HA ALA 37 HA ALA 37 -6.834 -8.775 -5.984 206 HB1 ALA 37 1HB ALA 37 -5.696 -8.957 -8.167 207 HB2 ALA 37 2HB ALA 37 -6.647 -7.465 -8.055 208 HB3 ALA 37 3HB ALA 37 -4.880 -7.412 -7.882 209 H GLU 38 H GLU 38 -3.485 -7.469 -5.521 210 HA GLU 38 HA GLU 38 -2.752 -9.694 -3.893 211 HB3 GLU 38 2HB GLU 38 -0.746 -10.004 -5.884 212 HG3 GLU 38 2HG GLU 38 -3.012 -11.963 -5.391 213 H ALA 39 H ALA 39 -1.213 -8.968 -2.439 214 HA ALA 39 HA ALA 39 0.645 -6.781 -3.300 215 HB1 ALA 39 1HB ALA 39 -1.514 -5.808 -2.477 216 HB2 ALA 39 2HB ALA 39 -1.252 -6.622 -0.919 217 HB3 ALA 39 3HB ALA 39 -0.118 -5.367 -1.479 218 H SER 40 H SER 40 2.216 -6.147 -1.563 219 HA SER 40 HA SER 40 2.524 -7.782 0.792 220 HB3 SER 40 2HB SER 40 4.689 -8.152 -1.306 221 HG SER 40 HG SER 40 4.302 -9.513 1.178 222 H VAL 41 H VAL 41 3.623 -6.682 2.355 223 HA VAL 41 HA VAL 41 5.173 -4.236 1.644 224 HB VAL 41 HB VAL 41 4.730 -5.473 4.392 225 HG11 VAL 41 1HG1 VAL 41 5.843 -2.764 3.517 226 HG12 VAL 41 2HG1 VAL 41 5.448 -3.198 5.188 227 HG13 VAL 41 3HG1 VAL 41 6.735 -4.058 4.349 228 HG21 VAL 41 3HG2 VAL 41 3.087 -3.714 4.793 229 HG22 VAL 41 1HG2 VAL 41 3.326 -3.068 3.166 230 HG23 VAL 41 2HG2 VAL 41 2.577 -4.663 3.395 231 H THR 42 H THR 42 7.355 -4.243 1.430 232 HA THR 42 HA THR 42 8.946 -6.700 1.969 233 HB THR 42 HB THR 42 9.696 -4.060 0.677 234 HG1 THR 42 1HG THR 42 9.469 -6.584 -0.566 235 HG21 THR 42 3HG2 THR 42 11.692 -5.150 1.608 236 HG22 THR 42 1HG2 THR 42 11.682 -5.325 -0.147 237 HG23 THR 42 2HG2 THR 42 11.222 -6.703 0.884 238 H VAL 43 H VAL 43 9.388 -6.917 4.048 239 HA VAL 43 HA VAL 43 8.770 -4.829 5.830 240 HB VAL 43 HB VAL 43 10.000 -7.567 6.313 241 HG11 VAL 43 1HG1 VAL 43 9.187 -7.354 8.666 242 HG12 VAL 43 2HG1 VAL 43 10.492 -6.220 8.326 243 HG13 VAL 43 3HG1 VAL 43 8.802 -5.649 8.345 244 HG21 VAL 43 3HG2 VAL 43 7.658 -8.096 7.022 245 HG22 VAL 43 1HG2 VAL 43 7.160 -6.455 6.583 246 HG23 VAL 43 2HG2 VAL 43 7.728 -7.580 5.333 247 H ALA 44 H ALA 44 12.008 -5.904 4.834 248 HA ALA 44 HA ALA 44 13.539 -4.632 6.839 249 HB1 ALA 44 1HB ALA 44 15.364 -4.900 5.137 250 HB2 ALA 44 2HB ALA 44 14.395 -6.367 5.373 251 HB3 ALA 44 3HB ALA 44 14.128 -5.346 3.944 252 H THR 45 H THR 45 11.824 -3.048 4.285 253 HA THR 45 HA THR 45 13.081 -0.442 5.110 254 HB THR 45 HB THR 45 12.321 0.336 2.746 255 HG1 THR 45 1HG THR 45 12.923 -2.331 2.061 256 HG21 THR 45 3HG2 THR 45 14.654 0.323 3.409 257 HG22 THR 45 1HG2 THR 45 14.495 -0.303 1.759 258 HG23 THR 45 2HG2 THR 45 14.773 -1.423 3.113 259 H GLY 46 H GLY 46 10.131 -2.225 4.392 260 HA2 GLY 46 2HA GLY 46 7.980 -1.711 5.188 261 HA3 GLY 46 3HA GLY 46 8.477 -0.033 5.524 262 H ARG 47 H ARG 47 9.505 -1.080 2.441 263 HA ARG 47 HA ARG 47 7.617 0.699 1.093 264 HB3 ARG 47 2HB ARG 47 10.019 0.589 0.485 265 HG3 ARG 47 2HG ARG 47 9.334 -2.046 -0.864 266 HD3 ARG 47 2HD ARG 47 11.990 -0.622 -0.491 267 HE ARG 47 HE ARG 47 11.182 -3.075 -2.011 268 HH11 ARG 47 1HH1 ARG 47 13.912 -1.014 -0.976 269 HH12 ARG 47 2HH1 ARG 47 15.050 -2.269 -1.359 270 HH21 ARG 47 1HH2 ARG 47 12.732 -4.510 -2.595 271 HH22 ARG 47 2HH2 ARG 47 14.419 -4.153 -2.302 272 H LEU 48 H LEU 48 6.340 0.039 -0.772 273 HA LEU 48 HA LEU 48 5.032 -2.627 -0.281 274 HB3 LEU 48 2HB LEU 48 3.089 -0.965 -1.344 275 HG LEU 48 HG LEU 48 3.818 -1.376 1.573 276 HD11 LEU 48 1HD1 LEU 48 1.456 0.052 0.278 277 HD12 LEU 48 2HD1 LEU 48 2.664 0.758 1.370 278 HD13 LEU 48 3HD1 LEU 48 1.517 -0.432 1.986 279 HD21 LEU 48 3HD2 LEU 48 2.998 -3.400 0.391 280 HD22 LEU 48 1HD2 LEU 48 1.622 -2.494 -0.269 281 HD23 LEU 48 2HD2 LEU 48 1.729 -2.806 1.471 282 H THR 49 H THR 49 3.872 -3.573 -1.911 283 HA THR 49 HA THR 49 3.990 -2.600 -4.696 284 HB THR 49 HB THR 49 4.598 -5.527 -4.077 285 HG1 THR 49 1HG THR 49 6.413 -4.538 -3.562 286 HG21 THR 49 3HG2 THR 49 4.667 -3.833 -6.629 287 HG22 THR 49 1HG2 THR 49 3.535 -5.159 -6.260 288 HG23 THR 49 2HG2 THR 49 5.248 -5.506 -6.498 289 H VAL 50 H VAL 50 2.035 -2.806 -5.557 290 HA VAL 50 HA VAL 50 0.051 -4.705 -4.389 291 HB VAL 50 HB VAL 50 -0.218 -2.662 -3.123 292 HG11 VAL 50 1HG1 VAL 50 0.669 -0.979 -4.716 293 HG12 VAL 50 2HG1 VAL 50 -0.792 -1.155 -5.711 294 HG13 VAL 50 3HG1 VAL 50 -0.908 -0.528 -4.064 295 HG21 VAL 50 3HG2 VAL 50 -2.233 -3.976 -3.662 296 HG22 VAL 50 1HG2 VAL 50 -2.594 -2.253 -3.468 297 HG23 VAL 50 2HG2 VAL 50 -2.523 -2.964 -5.089 298 H THR 51 H THR 51 -1.098 -5.716 -5.822 299 HA THR 51 HA THR 51 -1.469 -4.715 -8.608 300 HB THR 51 HB THR 51 -2.118 -7.471 -7.467 301 HG1 THR 51 1HG THR 51 0.160 -7.025 -7.625 302 HG21 THR 51 3HG2 THR 51 -1.898 -6.441 -10.344 303 HG22 THR 51 1HG2 THR 51 -3.423 -6.808 -9.525 304 HG23 THR 51 2HG2 THR 51 -2.270 -8.108 -9.854 305 H TYR 52 H TYR 52 -3.465 -4.002 -9.188 306 HA TYR 52 HA TYR 52 -5.869 -4.674 -7.588 307 HB3 TYR 52 2HB TYR 52 -5.000 -2.719 -6.470 308 HD1 TYR 52 1HD TYR 52 -6.387 -0.944 -9.441 309 HD2 TYR 52 2HD TYR 52 -2.918 -1.599 -6.979 310 HE1 TYR 52 1HE TYR 52 -5.249 0.979 -10.534 311 HE2 TYR 52 2HE TYR 52 -1.806 0.364 -8.001 312 HH TYR 52 HH TYR 52 -2.016 2.136 -9.556 313 H ASP 53 H ASP 53 -7.917 -3.890 -8.597 314 HA ASP 53 HA ASP 53 -7.881 -4.203 -11.524 315 HB3 ASP 53 2HB ASP 53 -10.113 -4.060 -9.478 316 HA PRO 54 HA PRO 54 -7.452 0.279 -11.303 317 HB3 PRO 54 2HB PRO 54 -5.717 -0.111 -12.752 318 HG3 PRO 54 2HG PRO 54 -5.929 -1.593 -14.617 319 HD3 PRO 54 2HD PRO 54 -6.284 -2.801 -12.663 320 H LYS 55 H LYS 55 -10.155 -1.142 -11.986 321 HA LYS 55 HA LYS 55 -11.524 1.313 -13.039 322 HB3 LYS 55 2HB LYS 55 -12.402 -1.547 -13.596 323 HG3 LYS 55 2HG LYS 55 -13.161 1.107 -14.898 324 HD3 LYS 55 2HD LYS 55 -14.966 -0.238 -15.949 325 HE3 LYS 55 2HE LYS 55 -12.182 -1.318 -16.572 326 HZ1 LYS 55 3HZ LYS 55 -13.865 -2.559 -17.735 327 HZ2 LYS 55 1HZ LYS 55 -13.125 -1.572 -18.812 328 HZ3 LYS 55 2HZ LYS 55 -14.620 -1.187 -18.243 329 H GLN 56 H GLN 56 -11.682 -1.604 -10.977 330 HA GLN 56 HA GLN 56 -13.851 -0.588 -9.295 331 HB3 GLN 56 2HB GLN 56 -12.877 -2.200 -7.603 332 HG3 GLN 56 2HG GLN 56 -13.077 -4.312 -9.007 333 HE21 GLN 56 1HE2 GLN 56 -15.168 -5.320 -9.103 334 HE22 GLN 56 2HE2 GLN 56 -16.601 -4.439 -8.588 335 H VAL 57 H VAL 57 -10.213 -0.271 -9.119 336 HA VAL 57 HA VAL 57 -10.571 2.062 -7.342 337 HB VAL 57 HB VAL 57 -9.110 1.228 -5.570 338 HG11 VAL 57 1HG1 VAL 57 -11.479 -0.643 -5.862 339 HG12 VAL 57 2HG1 VAL 57 -10.606 -0.223 -4.381 340 HG13 VAL 57 3HG1 VAL 57 -11.526 1.024 -5.235 341 HG21 VAL 57 3HG2 VAL 57 -7.811 -0.469 -6.778 342 HG22 VAL 57 1HG2 VAL 57 -8.568 -1.184 -5.352 343 HG23 VAL 57 2HG2 VAL 57 -9.255 -1.487 -6.962 344 H SER 58 H SER 58 -8.243 2.758 -6.527 345 HA SER 58 HA SER 58 -6.070 2.165 -8.412 346 HB3 SER 58 2HB SER 58 -7.432 4.023 -9.449 347 HG SER 58 HG SER 58 -6.323 6.000 -8.042 348 H GLU 59 H GLU 59 -4.245 4.059 -7.712 349 HA GLU 59 HA GLU 59 -3.137 3.487 -5.228 350 HB3 GLU 59 2HB GLU 59 -2.003 4.592 -7.069 351 HG3 GLU 59 2HG GLU 59 -2.050 7.081 -7.233 352 H ILE 60 H ILE 60 -5.841 5.658 -5.799 353 HA ILE 60 HA ILE 60 -5.946 7.160 -3.376 354 HB ILE 60 HB ILE 60 -7.993 5.984 -5.292 355 HG13 ILE 60 2HG1 ILE 60 -8.376 8.249 -6.006 356 HG21 ILE 60 1HG2 ILE 60 -9.265 5.944 -3.327 357 HG22 ILE 60 2HG2 ILE 60 -8.665 7.537 -2.788 358 HG23 ILE 60 3HG2 ILE 60 -9.753 7.397 -4.194 359 HD11 ILE 60 3HD1 ILE 60 -7.922 9.547 -3.913 360 HD12 ILE 60 1HD1 ILE 60 -6.185 9.196 -4.099 361 HD13 ILE 60 2HD1 ILE 60 -7.034 10.154 -5.318 362 H THR 61 H THR 61 -7.019 3.820 -3.987 363 HA THR 61 HA THR 61 -8.388 3.555 -1.456 364 HB THR 61 HB THR 61 -7.636 1.738 -3.744 365 HG1 THR 61 1HG THR 61 -9.485 2.820 -4.039 366 HG21 THR 61 3HG2 THR 61 -8.887 -0.117 -2.643 367 HG22 THR 61 1HG2 THR 61 -8.792 0.770 -1.103 368 HG23 THR 61 2HG2 THR 61 -7.313 0.197 -1.906 369 H ILE 62 H ILE 62 -5.059 2.852 -2.390 370 HA ILE 62 HA ILE 62 -4.554 1.659 0.294 371 HB ILE 62 HB ILE 62 -3.608 0.709 -1.809 372 HG13 ILE 62 2HG1 ILE 62 -2.770 0.176 0.423 373 HG21 ILE 62 1HG2 ILE 62 -1.707 3.086 -1.770 374 HG22 ILE 62 2HG2 ILE 62 -1.666 1.693 -2.874 375 HG23 ILE 62 3HG2 ILE 62 -3.007 2.814 -2.957 376 HD11 ILE 62 3HD1 ILE 62 -1.674 -0.821 -1.651 377 HD12 ILE 62 1HD1 ILE 62 -0.396 0.400 -1.471 378 HD13 ILE 62 2HD1 ILE 62 -0.672 -0.792 -0.188 379 H GLN 63 H GLN 63 -4.113 4.755 -1.321 380 HA GLN 63 HA GLN 63 -2.256 5.978 0.368 381 HB3 GLN 63 2HB GLN 63 -4.724 7.214 -0.948 382 HG3 GLN 63 2HG GLN 63 -2.072 8.451 -0.126 383 HE21 GLN 63 1HE2 GLN 63 -1.781 8.786 -2.580 384 HE22 GLN 63 2HE2 GLN 63 -2.597 10.167 -3.260 385 H GLU 64 H GLU 64 -5.852 6.005 0.822 386 HA GLU 64 HA GLU 64 -5.722 7.637 3.180 387 HB3 GLU 64 2HB GLU 64 -8.043 7.050 3.533 388 HG3 GLU 64 2HG GLU 64 -7.612 7.287 0.524 389 H ARG 65 H ARG 65 -5.872 4.078 2.876 390 HA ARG 65 HA ARG 65 -5.817 3.491 5.675 391 HB3 ARG 65 2HB ARG 65 -5.152 2.003 3.131 392 HG3 ARG 65 2HG ARG 65 -3.739 0.834 4.644 393 HD3 ARG 65 2HD ARG 65 -4.639 1.390 6.889 394 HE ARG 65 HE ARG 65 -7.115 0.908 6.247 395 HH11 ARG 65 1HH1 ARG 65 -5.089 -1.021 8.468 396 HH12 ARG 65 2HH1 ARG 65 -6.496 -1.398 9.423 397 HH21 ARG 65 1HH2 ARG 65 -8.812 -0.014 7.264 398 HH22 ARG 65 2HH2 ARG 65 -8.549 -1.131 8.586 399 H ILE 66 H ILE 66 -3.084 4.129 3.384 400 HA ILE 66 HA ILE 66 -1.046 3.534 5.399 401 HB ILE 66 HB ILE 66 -0.944 5.216 2.867 402 HG13 ILE 66 2HG1 ILE 66 -1.234 2.580 2.832 403 HG21 ILE 66 1HG2 ILE 66 0.795 6.038 4.406 404 HG22 ILE 66 2HG2 ILE 66 1.297 4.370 4.769 405 HG23 ILE 66 3HG2 ILE 66 1.569 5.066 3.164 406 HD11 ILE 66 3HD1 ILE 66 0.374 2.309 0.975 407 HD12 ILE 66 1HD1 ILE 66 -0.637 3.752 0.797 408 HD13 ILE 66 2HD1 ILE 66 1.064 3.897 1.322 409 H ALA 67 H ALA 67 -2.588 6.639 4.418 410 HA ALA 67 HA ALA 67 -1.146 8.208 6.309 411 HB1 ALA 67 1HB ALA 67 -2.257 9.127 4.341 412 HB2 ALA 67 2HB ALA 67 -3.851 8.642 4.956 413 HB3 ALA 67 3HB ALA 67 -2.915 9.896 5.799 414 H ALA 68 H ALA 68 -4.219 6.392 6.646 415 HA ALA 68 HA ALA 68 -5.175 7.651 9.025 416 HB1 ALA 68 1HB ALA 68 -5.800 4.952 7.727 417 HB2 ALA 68 2HB ALA 68 -6.781 5.742 8.979 418 HB3 ALA 68 3HB ALA 68 -6.611 6.488 7.384 419 H LEU 69 H LEU 69 -3.023 4.898 8.553 420 HA LEU 69 HA LEU 69 -3.085 4.178 11.434 421 HB3 LEU 69 2HB LEU 69 -1.389 2.405 10.438 422 HG LEU 69 HG LEU 69 -3.193 0.947 9.647 423 HD11 LEU 69 1HD1 LEU 69 -4.057 2.397 12.182 424 HD12 LEU 69 2HD1 LEU 69 -2.694 1.264 12.104 425 HD13 LEU 69 3HD1 LEU 69 -4.342 0.705 11.746 426 HD21 LEU 69 3HD2 LEU 69 -5.519 1.554 9.628 427 HD22 LEU 69 1HD2 LEU 69 -4.675 2.718 8.591 428 HD23 LEU 69 2HD2 LEU 69 -5.184 3.183 10.220 429 H GLY 70 H GLY 70 -1.712 6.665 10.008 430 HA2 GLY 70 2HA GLY 70 -0.201 8.131 10.950 431 HA3 GLY 70 3HA GLY 70 0.269 6.898 12.146 432 H TYR 71 H TYR 71 0.332 6.489 8.618 433 HA TYR 71 HA TYR 71 3.298 6.811 8.575 434 HB3 TYR 71 2HB TYR 71 3.411 4.981 6.950 435 HD1 TYR 71 1HD TYR 71 4.629 4.994 9.380 436 HD2 TYR 71 2HD TYR 71 0.899 3.041 8.486 437 HE1 TYR 71 1HE TYR 71 4.887 3.589 11.405 438 HE2 TYR 71 2HE TYR 71 1.172 1.596 10.496 439 HH TYR 71 HH TYR 71 3.994 1.957 12.707 440 H THR 72 H THR 72 3.890 6.949 6.003 441 HA THR 72 HA THR 72 2.066 8.820 4.614 442 HB THR 72 HB THR 72 4.035 10.424 4.289 443 HG1 THR 72 1HG THR 72 5.670 10.366 5.712 444 HG21 THR 72 3HG2 THR 72 3.678 11.670 6.326 445 HG22 THR 72 1HG2 THR 72 3.073 10.234 7.170 446 HG23 THR 72 2HG2 THR 72 2.151 10.946 5.826 447 H LEU 73 H LEU 73 3.221 9.433 2.354 448 HA LEU 73 HA LEU 73 4.907 7.204 1.402 449 HB3 LEU 73 2HB LEU 73 2.497 6.417 1.498 450 HG LEU 73 HG LEU 73 2.180 8.040 -1.066 451 HD11 LEU 73 1HD1 LEU 73 -0.041 7.007 -1.126 452 HD12 LEU 73 2HD1 LEU 73 0.303 6.115 0.367 453 HD13 LEU 73 3HD1 LEU 73 1.221 5.763 -1.117 454 HD21 LEU 73 3HD2 LEU 73 0.213 9.093 0.045 455 HD22 LEU 73 1HD2 LEU 73 1.736 9.563 0.787 456 HD23 LEU 73 2HD2 LEU 73 0.701 8.354 1.587 457 H ALA 74 H ALA 74 5.664 7.209 -0.670 458 HA ALA 74 HA ALA 74 5.013 9.503 -2.468 459 HB1 ALA 74 1HB ALA 74 7.704 8.071 -2.188 460 HB2 ALA 74 2HB ALA 74 7.307 9.330 -3.378 461 HB3 ALA 74 3HB ALA 74 7.362 9.724 -1.648 462 H GLU 75 H GLU 75 3.899 8.764 -4.149 463 HA GLU 75 HA GLU 75 4.364 6.031 -5.252 464 HB3 GLU 75 2HB GLU 75 1.757 7.561 -4.860 465 HG3 GLU 75 2HG GLU 75 0.787 5.210 -5.415 466 HA PRO 76 HA PRO 76 6.168 8.350 -8.115 467 HB3 PRO 76 2HB PRO 76 7.216 6.479 -8.851 468 HG3 PRO 76 2HG PRO 76 5.989 4.455 -9.173 469 HD3 PRO 76 2HD PRO 76 5.495 5.265 -6.995 Start of MODEL 10 1 H2 PRO 6 2H PRO 6 -7.394 -1.887 -15.648 2 HA PRO 6 HA PRO 6 -8.767 -4.209 -14.541 3 HB3 PRO 6 2HB PRO 6 -7.925 -5.616 -16.281 4 HG3 PRO 6 2HG PRO 6 -9.851 -4.489 -17.060 5 HD3 PRO 6 2HD PRO 6 -10.156 -2.380 -16.313 6 H LEU 7 H LEU 7 -7.457 -5.587 -13.263 7 HA LEU 7 HA LEU 7 -5.601 -4.277 -11.675 8 HB3 LEU 7 2HB LEU 7 -7.004 -6.272 -11.064 9 HG LEU 7 HG LEU 7 -4.684 -7.849 -12.294 10 HD11 LEU 7 1HD1 LEU 7 -5.694 -9.813 -11.183 11 HD12 LEU 7 2HD1 LEU 7 -6.845 -8.746 -10.349 12 HD13 LEU 7 3HD1 LEU 7 -5.101 -8.621 -10.024 13 HD21 LEU 7 3HD2 LEU 7 -6.567 -7.496 -13.886 14 HD22 LEU 7 1HD2 LEU 7 -7.694 -8.151 -12.687 15 HD23 LEU 7 2HD2 LEU 7 -6.432 -9.183 -13.391 16 H LYS 8 H LYS 8 -3.503 -4.223 -11.367 17 HA LYS 8 HA LYS 8 -1.529 -5.666 -12.955 18 HB3 LYS 8 2HB LYS 8 -2.171 -3.804 -14.495 19 HG3 LYS 8 2HG LYS 8 -1.071 -2.000 -12.303 20 HD3 LYS 8 2HD LYS 8 -2.297 -1.177 -14.946 21 HE3 LYS 8 2HE LYS 8 -0.772 0.279 -12.721 22 HZ1 LYS 8 3HZ LYS 8 -0.422 1.283 -14.875 23 HZ2 LYS 8 1HZ LYS 8 -1.373 2.269 -13.968 24 HZ3 LYS 8 2HZ LYS 8 -2.030 1.352 -15.176 25 H THR 9 H THR 9 0.570 -5.502 -12.055 26 HA THR 9 HA THR 9 0.673 -4.929 -9.209 27 HB THR 9 HB THR 9 1.942 -6.752 -10.347 28 HG1 THR 9 1HG THR 9 3.419 -6.628 -8.842 29 HG21 THR 9 3HG2 THR 9 4.116 -6.293 -11.307 30 HG22 THR 9 1HG2 THR 9 3.924 -4.545 -11.055 31 HG23 THR 9 2HG2 THR 9 2.913 -5.392 -12.241 32 H GLN 10 H GLN 10 2.008 -3.492 -8.165 33 HA GLN 10 HA GLN 10 2.993 -1.067 -9.469 34 HB3 GLN 10 2HB GLN 10 0.625 -1.080 -7.541 35 HG3 GLN 10 2HG GLN 10 2.043 0.894 -7.108 36 HE21 GLN 10 1HE2 GLN 10 3.792 2.052 -8.024 37 HE22 GLN 10 2HE2 GLN 10 3.757 2.673 -9.670 38 H GLN 11 H GLN 11 4.603 -0.225 -8.290 39 HA GLN 11 HA GLN 11 5.066 -1.167 -5.487 40 HB3 GLN 11 2HB GLN 11 7.486 -0.521 -6.082 41 HG3 GLN 11 2HG GLN 11 6.839 -2.882 -5.891 42 HE21 GLN 11 1HE2 GLN 11 5.547 -4.554 -6.585 43 HE22 GLN 11 2HE2 GLN 11 4.886 -4.680 -8.219 44 H MET 12 H MET 12 5.663 0.363 -3.951 45 HA MET 12 HA MET 12 6.042 3.165 -4.712 46 HB3 MET 12 2HB MET 12 3.621 3.118 -4.543 47 HG3 MET 12 2HG MET 12 2.797 2.900 -2.007 48 HE1 MET 12 3HE MET 12 0.496 2.505 -3.046 49 HE2 MET 12 1HE MET 12 1.349 2.761 -4.580 50 HE3 MET 12 2HE MET 12 0.236 1.410 -4.416 51 H GLN 13 H GLN 13 6.618 4.528 -2.929 52 HA GLN 13 HA GLN 13 8.057 3.114 -0.740 53 HB3 GLN 13 2HB GLN 13 8.857 5.534 -0.256 54 HG3 GLN 13 2HG GLN 13 9.639 4.054 -2.790 55 HE21 GLN 13 1HE2 GLN 13 11.062 5.019 -4.196 56 HE22 GLN 13 2HE2 GLN 13 11.745 6.598 -3.936 57 H VAL 14 H VAL 14 7.784 3.927 1.403 58 HA VAL 14 HA VAL 14 5.119 5.054 2.106 59 HB VAL 14 HB VAL 14 4.872 2.619 2.145 60 HG11 VAL 14 1HG1 VAL 14 7.190 1.882 2.536 61 HG12 VAL 14 2HG1 VAL 14 7.125 2.516 4.198 62 HG13 VAL 14 3HG1 VAL 14 6.079 1.172 3.707 63 HG21 VAL 14 3HG2 VAL 14 3.716 4.027 3.869 64 HG22 VAL 14 1HG2 VAL 14 3.967 2.341 4.350 65 HG23 VAL 14 2HG2 VAL 14 5.004 3.614 5.019 66 H GLY 15 H GLY 15 5.081 6.171 4.031 67 HA2 GLY 15 2HA GLY 15 7.431 7.539 4.806 68 HA3 GLY 15 3HA GLY 15 5.847 7.674 5.585 69 H GLY 16 H GLY 16 7.843 4.781 5.463 70 HA2 GLY 16 2HA GLY 16 9.381 3.871 6.916 71 HA3 GLY 16 3HA GLY 16 9.187 5.273 7.988 72 H MET 17 H MET 17 7.124 2.540 6.885 73 HA MET 17 HA MET 17 5.725 2.329 9.372 74 HB3 MET 17 2HB MET 17 5.071 1.659 6.909 75 HG3 MET 17 2HG MET 17 5.083 -0.725 6.469 76 HE1 MET 17 3HE MET 17 7.174 -2.712 6.092 77 HE2 MET 17 1HE MET 17 8.878 -2.258 6.199 78 HE3 MET 17 2HE MET 17 7.888 -2.293 7.665 79 H ARG 18 H ARG 18 8.849 1.263 8.736 80 HA ARG 18 HA ARG 18 8.960 -1.304 9.864 81 HB3 ARG 18 2HB ARG 18 11.428 -0.650 10.300 82 HG3 ARG 18 2HG ARG 18 10.161 -0.473 7.540 83 HD3 ARG 18 2HD ARG 18 12.307 0.451 7.183 84 HE ARG 18 HE ARG 18 13.844 0.133 8.812 85 HH11 ARG 18 1HH1 ARG 18 12.775 -3.140 7.896 86 HH12 ARG 18 2HH1 ARG 18 13.790 -3.869 9.117 87 HH21 ARG 18 1HH2 ARG 18 15.307 -0.920 10.128 88 HH22 ARG 18 2HH2 ARG 18 15.382 -2.675 10.108 89 H CYS 19 H CYS 19 9.370 -2.146 11.767 90 HA CYS 19 HA CYS 19 9.565 -2.546 13.967 91 HB3 CYS 19 2HB CYS 19 10.749 -0.932 15.397 92 HG CYS 19 HG CYS 19 12.259 -2.450 13.970 93 H ALA 20 H ALA 20 7.062 -0.946 12.853 94 HA ALA 20 HA ALA 20 5.724 -0.495 15.496 95 HB1 ALA 20 1HB ALA 20 5.342 0.916 12.814 96 HB2 ALA 20 2HB ALA 20 4.489 1.297 14.328 97 HB3 ALA 20 3HB ALA 20 6.226 1.561 14.214 98 H ALA 21 H ALA 21 5.737 -2.974 13.560 99 HA ALA 21 HA ALA 21 4.364 -4.661 13.000 100 HB1 ALA 21 1HB ALA 21 3.475 -4.196 15.319 101 HB2 ALA 21 2HB ALA 21 2.152 -3.280 14.568 102 HB3 ALA 21 3HB ALA 21 2.336 -5.006 14.221 103 H CYS 22 H CYS 22 3.684 -1.589 11.910 104 HA CYS 22 HA CYS 22 1.218 -1.873 10.625 105 HB3 CYS 22 2HB CYS 22 2.064 0.180 9.339 106 HG CYS 22 HG CYS 22 2.380 -0.212 12.655 107 H ALA 23 H ALA 23 4.288 -3.129 9.447 108 HA ALA 23 HA ALA 23 3.594 -3.555 6.722 109 HB1 ALA 23 1HB ALA 23 5.218 -5.425 6.904 110 HB2 ALA 23 2HB ALA 23 5.830 -3.960 7.700 111 HB3 ALA 23 3HB ALA 23 5.178 -5.291 8.672 112 H SER 24 H SER 24 2.443 -5.308 9.658 113 HA SER 24 HA SER 24 0.906 -7.201 7.918 114 HB3 SER 24 2HB SER 24 1.881 -8.382 9.653 115 HG SER 24 HG SER 24 2.484 -7.446 11.392 116 H SER 25 H SER 25 0.357 -4.516 10.247 117 HA SER 25 HA SER 25 -2.466 -4.627 10.144 118 HB3 SER 25 2HB SER 25 -2.485 -2.404 11.090 119 HG SER 25 HG SER 25 -1.360 -2.905 12.876 120 H ILE 26 H ILE 26 -0.274 -3.126 7.791 121 HA ILE 26 HA ILE 26 -2.492 -2.165 6.084 122 HB ILE 26 HB ILE 26 0.496 -2.476 5.744 123 HG13 ILE 26 2HG1 ILE 26 -1.399 -0.150 5.220 124 HG21 ILE 26 1HG2 ILE 26 0.333 -1.795 3.346 125 HG22 ILE 26 2HG2 ILE 26 -0.282 -3.403 3.620 126 HG23 ILE 26 3HG2 ILE 26 -1.426 -2.051 3.419 127 HD11 ILE 26 3HD1 ILE 26 -0.170 1.069 6.892 128 HD12 ILE 26 1HD1 ILE 26 -0.694 -0.464 7.636 129 HD13 ILE 26 2HD1 ILE 26 0.988 -0.251 7.095 130 H GLU 27 H GLU 27 -0.273 -5.027 5.937 131 HA GLU 27 HA GLU 27 -1.427 -5.863 3.508 132 HB3 GLU 27 2HB GLU 27 0.123 -7.646 5.407 133 HG3 GLU 27 2HG GLU 27 0.102 -7.389 2.357 134 H ARG 28 H ARG 28 -2.261 -6.804 6.829 135 HA ARG 28 HA ARG 28 -3.945 -9.026 6.276 136 HB3 ARG 28 2HB ARG 28 -4.065 -6.894 8.444 137 HG3 ARG 28 2HG ARG 28 -5.236 -9.716 8.398 138 HD3 ARG 28 2HD ARG 28 -4.986 -7.603 10.572 139 HE ARG 28 HE ARG 28 -7.013 -9.661 10.242 140 HH11 ARG 28 1HH1 ARG 28 -5.250 -7.826 12.748 141 HH12 ARG 28 2HH1 ARG 28 -6.668 -7.810 13.760 142 HH21 ARG 28 1HH2 ARG 28 -8.613 -9.757 11.679 143 HH22 ARG 28 2HH2 ARG 28 -8.460 -9.083 13.290 144 H ALA 29 H ALA 29 -4.596 -5.541 5.974 145 HA ALA 29 HA ALA 29 -7.424 -5.994 5.181 146 HB1 ALA 29 1HB ALA 29 -6.810 -4.034 6.575 147 HB2 ALA 29 2HB ALA 29 -5.720 -3.459 5.297 148 HB3 ALA 29 3HB ALA 29 -7.472 -3.549 5.005 149 H LEU 30 H LEU 30 -4.282 -5.070 3.720 150 HA LEU 30 HA LEU 30 -5.308 -4.178 1.292 151 HB3 LEU 30 2HB LEU 30 -2.575 -5.427 1.732 152 HG LEU 30 HG LEU 30 -2.851 -4.702 -0.589 153 HD11 LEU 30 1HD1 LEU 30 -3.230 -2.231 -1.058 154 HD12 LEU 30 2HD1 LEU 30 -3.765 -2.067 0.632 155 HD13 LEU 30 3HD1 LEU 30 -4.648 -3.111 -0.503 156 HD21 LEU 30 3HD2 LEU 30 -0.689 -4.316 0.623 157 HD22 LEU 30 1HD2 LEU 30 -1.231 -2.673 1.015 158 HD23 LEU 30 2HD2 LEU 30 -0.966 -3.144 -0.675 159 H GLU 31 H GLU 31 -4.706 -7.558 2.145 160 HA GLU 31 HA GLU 31 -4.833 -8.510 -0.595 161 HB3 GLU 31 2HB GLU 31 -3.780 -9.842 1.204 162 HG3 GLU 31 2HG GLU 31 -6.636 -10.085 2.274 163 H ARG 32 H ARG 32 -7.221 -7.231 1.468 164 HA ARG 32 HA ARG 32 -9.383 -8.638 0.040 165 HB3 ARG 32 2HB ARG 32 -9.096 -9.715 2.133 166 HG3 ARG 32 2HG ARG 32 -9.811 -7.129 3.584 167 HD3 ARG 32 2HD ARG 32 -8.966 -8.469 5.547 168 HE ARG 32 HE ARG 32 -11.533 -8.757 4.484 169 HH11 ARG 32 1HH1 ARG 32 -9.348 -10.779 6.453 170 HH12 ARG 32 2HH1 ARG 32 -10.673 -11.631 7.206 171 HH21 ARG 32 1HH2 ARG 32 -13.171 -9.785 5.632 172 HH22 ARG 32 2HH2 ARG 32 -12.813 -11.165 6.635 173 H LEU 33 H LEU 33 -8.215 -5.520 0.739 174 HA LEU 33 HA LEU 33 -10.586 -3.939 0.754 175 HB3 LEU 33 2HB LEU 33 -9.219 -2.253 -0.500 176 HG LEU 33 HG LEU 33 -7.484 -3.462 1.673 177 HD11 LEU 33 1HD1 LEU 33 -6.416 -1.787 0.145 178 HD12 LEU 33 2HD1 LEU 33 -6.505 -1.252 1.833 179 HD13 LEU 33 3HD1 LEU 33 -7.647 -0.614 0.636 180 HD21 LEU 33 3HD2 LEU 33 -8.497 -1.759 3.178 181 HD22 LEU 33 1HD2 LEU 33 -9.668 -2.986 2.669 182 HD23 LEU 33 2HD2 LEU 33 -9.683 -1.369 1.918 183 H LYS 34 H LYS 34 -12.124 -3.437 -0.689 184 HA LYS 34 HA LYS 34 -12.488 -4.988 -3.078 185 HB3 LYS 34 2HB LYS 34 -14.266 -3.232 -3.536 186 HG3 LYS 34 2HG LYS 34 -14.373 -4.429 -0.734 187 HD3 LYS 34 2HD LYS 34 -16.522 -3.833 -2.820 188 HE3 LYS 34 2HE LYS 34 -17.162 -5.741 -1.368 189 HZ1 LYS 34 3HZ LYS 34 -16.679 -3.789 0.808 190 HZ2 LYS 34 1HZ LYS 34 -16.065 -5.317 0.666 191 HZ3 LYS 34 2HZ LYS 34 -17.655 -5.078 1.012 192 H GLY 35 H GLY 35 -11.843 -4.734 -5.105 193 HA2 GLY 35 2HA GLY 35 -10.942 -3.742 -7.032 194 HA3 GLY 35 3HA GLY 35 -10.637 -2.235 -6.137 195 H VAL 36 H VAL 36 -9.304 -4.590 -4.201 196 HA VAL 36 HA VAL 36 -6.658 -4.516 -5.605 197 HB VAL 36 HB VAL 36 -7.079 -4.860 -2.616 198 HG11 VAL 36 1HG1 VAL 36 -4.612 -4.242 -4.311 199 HG12 VAL 36 2HG1 VAL 36 -4.642 -4.307 -2.544 200 HG13 VAL 36 3HG1 VAL 36 -4.945 -5.774 -3.472 201 HG21 VAL 36 3HG2 VAL 36 -7.823 -2.590 -3.155 202 HG22 VAL 36 1HG2 VAL 36 -6.236 -2.514 -2.391 203 HG23 VAL 36 2HG2 VAL 36 -6.377 -2.314 -4.147 204 H ALA 37 H ALA 37 -5.637 -6.422 -5.970 205 HA ALA 37 HA ALA 37 -7.233 -8.913 -5.534 206 HB1 ALA 37 1HB ALA 37 -5.085 -8.214 -7.577 207 HB2 ALA 37 2HB ALA 37 -6.066 -9.695 -7.537 208 HB3 ALA 37 3HB ALA 37 -6.841 -8.129 -7.843 209 H GLU 38 H GLU 38 -3.766 -7.836 -5.428 210 HA GLU 38 HA GLU 38 -3.176 -9.804 -3.395 211 HB3 GLU 38 2HB GLU 38 -3.025 -11.319 -5.259 212 HG3 GLU 38 2HG GLU 38 -1.026 -9.394 -6.493 213 H ALA 39 H ALA 39 -1.200 -9.400 -2.254 214 HA ALA 39 HA ALA 39 0.521 -7.176 -3.066 215 HB1 ALA 39 1HB ALA 39 -0.216 -5.622 -1.353 216 HB2 ALA 39 2HB ALA 39 -1.599 -6.032 -2.379 217 HB3 ALA 39 3HB ALA 39 -1.444 -6.777 -0.775 218 H SER 40 H SER 40 2.190 -6.632 -1.580 219 HA SER 40 HA SER 40 2.462 -8.124 0.905 220 HB3 SER 40 2HB SER 40 4.565 -8.581 -1.225 221 HG SER 40 HG SER 40 5.644 -9.537 0.354 222 H VAL 41 H VAL 41 3.684 -7.046 2.385 223 HA VAL 41 HA VAL 41 5.106 -4.548 1.534 224 HB VAL 41 HB VAL 41 4.536 -5.530 4.371 225 HG11 VAL 41 1HG1 VAL 41 6.477 -4.017 4.252 226 HG12 VAL 41 2HG1 VAL 41 5.542 -2.857 3.282 227 HG13 VAL 41 3HG1 VAL 41 5.099 -3.176 4.970 228 HG21 VAL 41 3HG2 VAL 41 3.083 -3.414 2.724 229 HG22 VAL 41 1HG2 VAL 41 2.411 -4.977 3.223 230 HG23 VAL 41 2HG2 VAL 41 2.811 -3.761 4.438 231 H THR 42 H THR 42 7.255 -4.568 1.256 232 HA THR 42 HA THR 42 8.939 -6.854 2.075 233 HB THR 42 HB THR 42 9.688 -4.267 0.660 234 HG1 THR 42 1HG THR 42 8.342 -5.725 -0.532 235 HG21 THR 42 3HG2 THR 42 11.229 -6.864 1.145 236 HG22 THR 42 1HG2 THR 42 11.639 -5.265 1.805 237 HG23 THR 42 2HG2 THR 42 11.754 -5.554 0.069 238 H VAL 43 H VAL 43 9.411 -6.887 4.189 239 HA VAL 43 HA VAL 43 9.482 -4.504 5.835 240 HB VAL 43 HB VAL 43 10.218 -7.395 6.400 241 HG11 VAL 43 1HG1 VAL 43 10.070 -5.059 8.359 242 HG12 VAL 43 2HG1 VAL 43 10.093 -6.774 8.823 243 HG13 VAL 43 3HG1 VAL 43 11.493 -6.072 8.020 244 HG21 VAL 43 3HG2 VAL 43 7.843 -5.629 7.159 245 HG22 VAL 43 1HG2 VAL 43 7.818 -6.929 5.950 246 HG23 VAL 43 2HG2 VAL 43 8.060 -7.324 7.657 247 H ALA 44 H ALA 44 12.129 -6.574 4.498 248 HA ALA 44 HA ALA 44 14.187 -5.548 6.106 249 HB1 ALA 44 1HB ALA 44 14.336 -7.617 4.794 250 HB2 ALA 44 2HB ALA 44 14.354 -6.686 3.277 251 HB3 ALA 44 3HB ALA 44 15.695 -6.545 4.433 252 H THR 45 H THR 45 13.334 -4.422 2.787 253 HA THR 45 HA THR 45 14.971 -1.968 3.155 254 HB THR 45 HB THR 45 14.353 -1.588 0.732 255 HG1 THR 45 1HG THR 45 13.747 -3.652 -0.291 256 HG21 THR 45 3HG2 THR 45 16.531 -2.563 1.472 257 HG22 THR 45 1HG2 THR 45 16.003 -3.175 -0.097 258 HG23 THR 45 2HG2 THR 45 15.827 -4.190 1.353 259 H GLY 46 H GLY 46 11.689 -2.912 3.571 260 HA2 GLY 46 2HA GLY 46 9.989 -1.692 4.481 261 HA3 GLY 46 3HA GLY 46 11.086 -0.309 4.627 262 H ARG 47 H ARG 47 9.298 -2.153 2.143 263 HA ARG 47 HA ARG 47 8.167 0.259 0.904 264 HB3 ARG 47 2HB ARG 47 10.364 0.281 -0.089 265 HG3 ARG 47 2HG ARG 47 9.774 -2.541 -1.104 266 HD3 ARG 47 2HD ARG 47 11.025 -1.181 -2.750 267 HE ARG 47 HE ARG 47 12.291 0.114 -0.721 268 HH11 ARG 47 1HH1 ARG 47 13.678 -2.005 -3.235 269 HH12 ARG 47 2HH1 ARG 47 15.231 -1.224 -3.084 270 HH21 ARG 47 1HH2 ARG 47 14.208 1.083 -0.715 271 HH22 ARG 47 2HH2 ARG 47 15.525 0.523 -1.736 272 H LEU 48 H LEU 48 6.882 -0.440 -1.186 273 HA LEU 48 HA LEU 48 5.321 -2.855 -0.325 274 HB3 LEU 48 2HB LEU 48 3.699 -0.837 -1.618 275 HG LEU 48 HG LEU 48 3.869 -1.729 1.285 276 HD11 LEU 48 1HD1 LEU 48 2.956 0.543 1.135 277 HD12 LEU 48 2HD1 LEU 48 1.663 -0.605 1.526 278 HD13 LEU 48 3HD1 LEU 48 1.824 0.025 -0.131 279 HD21 LEU 48 3HD2 LEU 48 1.918 -2.437 -0.967 280 HD22 LEU 48 1HD2 LEU 48 1.715 -2.902 0.734 281 HD23 LEU 48 2HD2 LEU 48 3.079 -3.534 -0.188 282 H THR 49 H THR 49 4.163 -4.017 -1.736 283 HA THR 49 HA THR 49 4.220 -3.488 -4.656 284 HB THR 49 HB THR 49 4.959 -6.060 -3.232 285 HG1 THR 49 1HG THR 49 6.702 -5.808 -4.394 286 HG21 THR 49 3HG2 THR 49 3.796 -5.809 -6.039 287 HG22 THR 49 1HG2 THR 49 3.270 -6.872 -4.720 288 HG23 THR 49 2HG2 THR 49 4.817 -7.169 -5.514 289 H VAL 50 H VAL 50 2.184 -3.413 -5.349 290 HA VAL 50 HA VAL 50 0.036 -4.987 -4.019 291 HB VAL 50 HB VAL 50 0.077 -2.834 -2.855 292 HG11 VAL 50 1HG1 VAL 50 1.063 -1.393 -4.618 293 HG12 VAL 50 2HG1 VAL 50 -0.458 -1.480 -5.528 294 HG13 VAL 50 3HG1 VAL 50 -0.422 -0.716 -3.933 295 HG21 VAL 50 3HG2 VAL 50 -2.255 -2.119 -3.203 296 HG22 VAL 50 1HG2 VAL 50 -2.338 -3.052 -4.701 297 HG23 VAL 50 2HG2 VAL 50 -2.110 -3.887 -3.150 298 H THR 51 H THR 51 -1.535 -5.677 -5.369 299 HA THR 51 HA THR 51 -1.490 -4.807 -8.235 300 HB THR 51 HB THR 51 -2.324 -7.462 -6.987 301 HG1 THR 51 1HG THR 51 -0.087 -7.194 -7.214 302 HG21 THR 51 3HG2 THR 51 -3.737 -6.873 -8.985 303 HG22 THR 51 1HG2 THR 51 -2.636 -8.210 -9.323 304 HG23 THR 51 2HG2 THR 51 -2.271 -6.583 -9.928 305 H TYR 52 H TYR 52 -2.974 -3.254 -8.382 306 HA TYR 52 HA TYR 52 -5.753 -3.861 -7.504 307 HB3 TYR 52 2HB TYR 52 -4.720 -2.296 -5.892 308 HD1 TYR 52 2HD TYR 52 -5.839 0.045 -8.607 309 HD2 TYR 52 1HD TYR 52 -2.693 -1.046 -5.879 310 HE1 TYR 52 2HE TYR 52 -4.696 2.199 -9.068 311 HE2 TYR 52 1HE TYR 52 -1.552 1.124 -6.321 312 HH TYR 52 HH TYR 52 -1.645 3.146 -7.404 313 H ASP 53 H ASP 53 -7.434 -2.693 -8.658 314 HA ASP 53 HA ASP 53 -6.858 -2.457 -11.541 315 HB3 ASP 53 2HB ASP 53 -9.333 -2.796 -9.846 316 HA PRO 54 HA PRO 54 -6.739 2.059 -10.867 317 HB3 PRO 54 2HB PRO 54 -5.695 2.947 -12.750 318 HG3 PRO 54 2HG PRO 54 -4.367 1.056 -12.131 319 HD3 PRO 54 2HD PRO 54 -5.302 -1.110 -12.091 320 H LYS 55 H LYS 55 -9.240 0.215 -12.139 321 HA LYS 55 HA LYS 55 -10.857 2.540 -13.165 322 HB3 LYS 55 2HB LYS 55 -12.131 0.919 -14.443 323 HG3 LYS 55 2HG LYS 55 -10.493 -0.126 -15.942 324 HD3 LYS 55 2HD LYS 55 -9.584 2.678 -15.176 325 HE3 LYS 55 2HE LYS 55 -9.258 1.000 -17.710 326 HZ1 LYS 55 3HZ LYS 55 -8.444 3.807 -17.186 327 HZ2 LYS 55 1HZ LYS 55 -9.622 3.315 -18.224 328 HZ3 LYS 55 2HZ LYS 55 -8.083 2.941 -18.553 329 H GLN 56 H GLN 56 -11.015 -0.394 -11.070 330 HA GLN 56 HA GLN 56 -13.368 0.604 -9.637 331 HB3 GLN 56 2HB GLN 56 -12.407 -1.021 -7.830 332 HG3 GLN 56 2HG GLN 56 -12.975 -3.071 -9.197 333 HE21 GLN 56 1HE2 GLN 56 -15.134 -3.847 -9.090 334 HE22 GLN 56 2HE2 GLN 56 -16.371 -2.863 -8.319 335 H VAL 57 H VAL 57 -9.783 1.111 -9.247 336 HA VAL 57 HA VAL 57 -10.406 3.083 -7.093 337 HB VAL 57 HB VAL 57 -8.887 2.079 -5.500 338 HG11 VAL 57 1HG1 VAL 57 -11.001 0.037 -6.284 339 HG12 VAL 57 2HG1 VAL 57 -10.193 0.183 -4.730 340 HG13 VAL 57 3HG1 VAL 57 -11.260 1.487 -5.284 341 HG21 VAL 57 3HG2 VAL 57 -8.009 -0.197 -5.696 342 HG22 VAL 57 1HG2 VAL 57 -8.705 -0.366 -7.318 343 HG23 VAL 57 2HG2 VAL 57 -7.396 0.801 -7.016 344 H SER 58 H SER 58 -8.255 3.975 -6.121 345 HA SER 58 HA SER 58 -5.998 3.962 -8.052 346 HB3 SER 58 2HB SER 58 -7.498 6.054 -8.363 347 HG SER 58 HG SER 58 -6.682 7.735 -6.838 348 H GLU 59 H GLU 59 -4.175 5.522 -6.781 349 HA GLU 59 HA GLU 59 -3.226 4.284 -4.481 350 HB3 GLU 59 2HB GLU 59 -1.885 5.854 -5.772 351 HG3 GLU 59 2HG GLU 59 -3.752 7.993 -4.662 352 H ILE 60 H ILE 60 -5.983 6.410 -4.651 353 HA ILE 60 HA ILE 60 -6.216 7.323 -1.946 354 HB ILE 60 HB ILE 60 -8.161 6.672 -4.179 355 HG13 ILE 60 2HG1 ILE 60 -6.654 8.706 -4.234 356 HG21 ILE 60 1HG2 ILE 60 -10.005 7.651 -2.817 357 HG22 ILE 60 2HG2 ILE 60 -9.438 6.113 -2.203 358 HG23 ILE 60 3HG2 ILE 60 -8.935 7.623 -1.393 359 HD11 ILE 60 3HD1 ILE 60 -8.877 8.715 -5.404 360 HD12 ILE 60 1HD1 ILE 60 -9.567 9.530 -3.977 361 HD13 ILE 60 2HD1 ILE 60 -8.280 10.310 -4.908 362 H THR 61 H THR 61 -7.257 4.191 -3.379 363 HA THR 61 HA THR 61 -8.631 3.270 -1.045 364 HB THR 61 HB THR 61 -7.509 1.952 -3.520 365 HG1 THR 61 1HG THR 61 -9.458 3.036 -3.605 366 HG21 THR 61 3HG2 THR 61 -8.611 -0.169 -2.875 367 HG22 THR 61 1HG2 THR 61 -8.847 0.453 -1.224 368 HG23 THR 61 2HG2 THR 61 -7.208 0.163 -1.861 369 H ILE 62 H ILE 62 -5.223 3.089 -1.878 370 HA ILE 62 HA ILE 62 -4.665 1.530 0.608 371 HB ILE 62 HB ILE 62 -3.749 0.795 -1.578 372 HG13 ILE 62 2HG1 ILE 62 -2.846 0.003 0.482 373 HG21 ILE 62 1HG2 ILE 62 -1.878 1.897 -2.620 374 HG22 ILE 62 2HG2 ILE 62 -3.242 2.996 -2.568 375 HG23 ILE 62 3HG2 ILE 62 -1.908 3.207 -1.409 376 HD11 ILE 62 3HD1 ILE 62 -1.510 -0.574 -1.588 377 HD12 ILE 62 1HD1 ILE 62 -0.424 0.780 -1.199 378 HD13 ILE 62 2HD1 ILE 62 -0.578 -0.579 -0.079 379 H GLN 63 H GLN 63 -4.322 4.861 -0.605 380 HA GLN 63 HA GLN 63 -2.794 5.849 1.605 381 HB3 GLN 63 2HB GLN 63 -5.080 7.285 0.184 382 HG3 GLN 63 2HG GLN 63 -2.550 8.286 1.575 383 HE21 GLN 63 1HE2 GLN 63 -5.727 9.882 1.005 384 HE22 GLN 63 2HE2 GLN 63 -5.027 11.209 0.096 385 H GLU 64 H GLU 64 -6.335 5.342 1.230 386 HA GLU 64 HA GLU 64 -7.080 6.022 3.899 387 HB3 GLU 64 2HB GLU 64 -9.160 4.643 3.270 388 HG3 GLU 64 2HG GLU 64 -9.928 6.114 1.469 389 H ARG 65 H ARG 65 -4.955 3.692 3.276 390 HA ARG 65 HA ARG 65 -5.661 2.288 5.806 391 HB3 ARG 65 2HB ARG 65 -4.112 1.053 3.486 392 HG3 ARG 65 2HG ARG 65 -3.542 0.003 5.620 393 HD3 ARG 65 2HD ARG 65 -5.345 0.450 7.114 394 HE ARG 65 HE ARG 65 -7.157 0.127 5.139 395 HH11 ARG 65 1HH1 ARG 65 -6.920 -1.583 8.246 396 HH12 ARG 65 2HH1 ARG 65 -8.620 -1.967 8.200 397 HH21 ARG 65 1HH2 ARG 65 -9.226 -0.353 5.201 398 HH22 ARG 65 2HH2 ARG 65 -9.895 -1.408 6.442 399 H ILE 66 H ILE 66 -2.959 3.321 3.638 400 HA ILE 66 HA ILE 66 -0.916 3.020 5.673 401 HB ILE 66 HB ILE 66 -0.974 4.607 3.075 402 HG13 ILE 66 2HG1 ILE 66 -1.160 1.988 3.070 403 HG21 ILE 66 1HG2 ILE 66 0.761 5.563 4.529 404 HG22 ILE 66 2HG2 ILE 66 1.364 3.934 4.923 405 HG23 ILE 66 3HG2 ILE 66 1.534 4.604 3.284 406 HD11 ILE 66 3HD1 ILE 66 1.177 3.236 1.568 407 HD12 ILE 66 1HD1 ILE 66 0.347 1.725 1.195 408 HD13 ILE 66 2HD1 ILE 66 -0.540 3.253 1.061 409 H ALA 67 H ALA 67 -2.764 5.940 4.638 410 HA ALA 67 HA ALA 67 -1.365 7.666 6.499 411 HB1 ALA 67 1HB ALA 67 -2.460 8.485 4.429 412 HB2 ALA 67 2HB ALA 67 -4.050 8.034 5.096 413 HB3 ALA 67 3HB ALA 67 -3.078 9.292 5.880 414 H ALA 68 H ALA 68 -4.120 5.499 6.691 415 HA ALA 68 HA ALA 68 -5.207 6.452 9.201 416 HB1 ALA 68 1HB ALA 68 -6.525 5.252 7.451 417 HB2 ALA 68 2HB ALA 68 -5.574 3.780 7.761 418 HB3 ALA 68 3HB ALA 68 -6.602 4.450 9.028 419 H LEU 69 H LEU 69 -2.746 3.970 8.367 420 HA LEU 69 HA LEU 69 -2.309 3.298 11.201 421 HB3 LEU 69 2HB LEU 69 -0.077 2.419 10.097 422 HG LEU 69 HG LEU 69 -0.902 0.307 9.688 423 HD11 LEU 69 1HD1 LEU 69 -2.127 -0.267 11.632 424 HD12 LEU 69 2HD1 LEU 69 -2.890 1.312 11.725 425 HD13 LEU 69 3HD1 LEU 69 -1.148 1.142 12.064 426 HD21 LEU 69 3HD2 LEU 69 -3.713 1.430 9.361 427 HD22 LEU 69 1HD2 LEU 69 -3.259 -0.287 9.330 428 HD23 LEU 69 2HD2 LEU 69 -2.678 0.798 8.064 429 H GLY 70 H GLY 70 -1.528 6.017 9.307 430 HA2 GLY 70 2HA GLY 70 -1.062 7.927 10.683 431 HA3 GLY 70 3HA GLY 70 0.172 7.004 11.557 432 H TYR 71 H TYR 71 0.496 6.461 8.215 433 HA TYR 71 HA TYR 71 2.853 8.308 8.147 434 HB3 TYR 71 2HB TYR 71 3.881 6.677 6.728 435 HD1 TYR 71 1HD TYR 71 4.938 6.702 9.070 436 HD2 TYR 71 2HD TYR 71 1.680 4.102 7.971 437 HE1 TYR 71 1HE TYR 71 5.411 5.270 11.057 438 HE2 TYR 71 2HE TYR 71 2.148 2.683 9.944 439 HH TYR 71 HH TYR 71 3.397 2.422 11.855 440 H THR 72 H THR 72 3.338 7.934 5.351 441 HA THR 72 HA THR 72 0.917 8.598 3.841 442 HB THR 72 HB THR 72 1.994 10.331 2.479 443 HG1 THR 72 1HG THR 72 4.017 11.157 3.190 444 HG21 THR 72 3HG2 THR 72 0.769 11.100 4.507 445 HG22 THR 72 1HG2 THR 72 2.058 12.198 3.996 446 HG23 THR 72 2HG2 THR 72 2.309 11.133 5.395 447 H LEU 73 H LEU 73 1.988 8.697 1.326 448 HA LEU 73 HA LEU 73 4.015 6.590 1.005 449 HB3 LEU 73 2HB LEU 73 1.814 5.407 0.955 450 HG LEU 73 HG LEU 73 1.297 7.152 -1.501 451 HD11 LEU 73 1HD1 LEU 73 -0.380 5.470 -2.205 452 HD12 LEU 73 2HD1 LEU 73 0.202 4.370 -0.936 453 HD13 LEU 73 3HD1 LEU 73 1.271 4.842 -2.274 454 HD21 LEU 73 3HD2 LEU 73 0.110 7.865 0.541 455 HD22 LEU 73 1HD2 LEU 73 -0.508 6.214 0.779 456 HD23 LEU 73 2HD2 LEU 73 -1.023 7.181 -0.621 457 H ALA 74 H ALA 74 4.653 6.339 -1.320 458 HA ALA 74 HA ALA 74 4.173 8.726 -3.040 459 HB1 ALA 74 1HB ALA 74 6.583 8.988 -3.434 460 HB2 ALA 74 2HB ALA 74 6.194 9.237 -1.722 461 HB3 ALA 74 3HB ALA 74 6.938 7.723 -2.248 462 H GLU 75 H GLU 75 3.167 7.754 -4.668 463 HA GLU 75 HA GLU 75 4.395 5.421 -6.078 464 HB3 GLU 75 2HB GLU 75 1.477 6.301 -6.024 465 HG3 GLU 75 2HG GLU 75 2.369 3.468 -6.483 466 HA PRO 76 HA PRO 76 4.469 9.307 -8.730 467 HB3 PRO 76 2HB PRO 76 6.554 9.912 -8.026 468 HG3 PRO 76 2HG PRO 76 8.153 8.275 -7.357 469 HD3 PRO 76 2HD PRO 76 6.245 7.812 -6.084 Start of MODEL 11 1 H2 PRO 6 2H PRO 6 -5.748 -2.999 -18.047 2 HA PRO 6 HA PRO 6 -7.517 -5.001 -16.824 3 HB3 PRO 6 2HB PRO 6 -6.047 -6.703 -17.528 4 HG3 PRO 6 2HG PRO 6 -6.795 -6.239 -19.700 5 HD3 PRO 6 2HD PRO 6 -8.059 -4.380 -19.233 6 H LEU 7 H LEU 7 -6.545 -5.954 -14.813 7 HA LEU 7 HA LEU 7 -5.190 -4.010 -13.169 8 HB3 LEU 7 2HB LEU 7 -6.884 -5.700 -12.360 9 HG LEU 7 HG LEU 7 -4.512 -7.620 -12.279 10 HD11 LEU 7 1HD1 LEU 7 -6.028 -7.502 -10.301 11 HD12 LEU 7 2HD1 LEU 7 -6.065 -9.082 -11.103 12 HD13 LEU 7 3HD1 LEU 7 -7.397 -7.930 -11.340 13 HD21 LEU 7 3HD2 LEU 7 -5.897 -9.201 -13.593 14 HD22 LEU 7 1HD2 LEU 7 -5.477 -7.780 -14.544 15 HD23 LEU 7 2HD2 LEU 7 -7.106 -7.928 -13.851 16 H LYS 8 H LYS 8 -3.166 -4.195 -12.182 17 HA LYS 8 HA LYS 8 -1.141 -6.018 -13.261 18 HB3 LYS 8 2HB LYS 8 -1.364 -4.391 -15.105 19 HG3 LYS 8 2HG LYS 8 -0.482 -2.310 -13.045 20 HD3 LYS 8 2HD LYS 8 -0.968 -2.029 -16.032 21 HE3 LYS 8 2HE LYS 8 -0.047 -0.131 -13.827 22 HZ1 LYS 8 3HZ LYS 8 -0.069 0.273 -16.759 23 HZ2 LYS 8 1HZ LYS 8 1.287 0.175 -15.816 24 HZ3 LYS 8 2HZ LYS 8 0.263 1.451 -15.663 25 H THR 9 H THR 9 0.875 -5.925 -12.220 26 HA THR 9 HA THR 9 0.801 -5.014 -9.469 27 HB THR 9 HB THR 9 1.914 -7.116 -10.310 28 HG1 THR 9 1HG THR 9 3.173 -7.004 -8.574 29 HG21 THR 9 3HG2 THR 9 4.286 -5.257 -10.800 30 HG22 THR 9 1HG2 THR 9 3.354 -6.019 -12.102 31 HG23 THR 9 2HG2 THR 9 4.241 -7.024 -10.944 32 H GLN 10 H GLN 10 2.177 -3.609 -8.456 33 HA GLN 10 HA GLN 10 3.715 -1.569 -9.868 34 HB3 GLN 10 2HB GLN 10 1.061 -1.041 -8.458 35 HG3 GLN 10 2HG GLN 10 2.637 0.707 -7.628 36 HE21 GLN 10 1HE2 GLN 10 2.644 3.331 -8.930 37 HE22 GLN 10 2HE2 GLN 10 3.950 3.257 -10.098 38 H GLN 11 H GLN 11 5.309 -0.831 -8.488 39 HA GLN 11 HA GLN 11 5.102 -1.551 -5.604 40 HB3 GLN 11 2HB GLN 11 7.607 -1.041 -7.256 41 HG3 GLN 11 2HG GLN 11 7.175 -1.989 -4.383 42 HE21 GLN 11 1HE2 GLN 11 8.288 -4.060 -4.904 43 HE22 GLN 11 2HE2 GLN 11 10.054 -4.006 -4.979 44 H MET 12 H MET 12 5.515 -0.009 -4.085 45 HA MET 12 HA MET 12 5.946 2.825 -4.885 46 HB3 MET 12 2HB MET 12 3.516 2.383 -4.461 47 HG3 MET 12 2HG MET 12 4.398 1.877 -1.589 48 HE1 MET 12 3HE MET 12 1.481 -0.061 -3.118 49 HE2 MET 12 1HE MET 12 0.110 1.065 -3.026 50 HE3 MET 12 2HE MET 12 1.429 1.366 -4.177 51 H GLN 13 H GLN 13 6.641 4.113 -2.998 52 HA GLN 13 HA GLN 13 8.155 2.582 -0.925 53 HB3 GLN 13 2HB GLN 13 9.392 4.685 -0.562 54 HG3 GLN 13 2HG GLN 13 9.515 3.694 -3.437 55 HE21 GLN 13 1HE2 GLN 13 11.869 4.710 -0.855 56 HE22 GLN 13 2HE2 GLN 13 12.649 5.907 -1.897 57 H VAL 14 H VAL 14 8.138 4.214 1.224 58 HA VAL 14 HA VAL 14 5.612 5.384 1.807 59 HB VAL 14 HB VAL 14 4.554 3.291 1.893 60 HG11 VAL 14 1HG1 VAL 14 6.447 1.747 1.870 61 HG12 VAL 14 2HG1 VAL 14 6.817 2.148 3.565 62 HG13 VAL 14 3HG1 VAL 14 5.300 1.327 3.138 63 HG21 VAL 14 3HG2 VAL 14 5.232 3.844 4.785 64 HG22 VAL 14 1HG2 VAL 14 4.038 4.733 3.813 65 HG23 VAL 14 2HG2 VAL 14 3.809 3.010 4.141 66 H GLY 15 H GLY 15 5.747 6.646 3.452 67 HA2 GLY 15 2HA GLY 15 8.293 6.870 4.966 68 HA3 GLY 15 3HA GLY 15 6.980 8.070 4.878 69 H GLY 16 H GLY 16 8.433 6.558 7.116 70 HA2 GLY 16 2HA GLY 16 7.801 6.187 9.323 71 HA3 GLY 16 3HA GLY 16 6.094 6.184 8.840 72 H MET 17 H MET 17 6.016 4.010 6.978 73 HA MET 17 HA MET 17 5.961 1.812 8.856 74 HB3 MET 17 2HB MET 17 5.791 1.680 5.829 75 HG3 MET 17 2HG MET 17 4.296 -0.059 7.792 76 HE1 MET 17 3HE MET 17 5.901 -1.351 3.660 77 HE2 MET 17 1HE MET 17 6.632 -0.088 4.668 78 HE3 MET 17 2HE MET 17 6.645 -1.775 5.212 79 H ARG 18 H ARG 18 7.753 0.875 9.632 80 HA ARG 18 HA ARG 18 9.727 -0.434 8.081 81 HB3 ARG 18 2HB ARG 18 11.233 1.743 9.409 82 HG3 ARG 18 2HG ARG 18 11.167 0.528 6.614 83 HD3 ARG 18 2HD ARG 18 11.809 2.776 6.193 84 HE ARG 18 HE ARG 18 13.962 2.714 8.247 85 HH11 ARG 18 1HH1 ARG 18 11.010 4.381 7.090 86 HH12 ARG 18 2HH1 ARG 18 11.333 5.753 8.122 87 HH21 ARG 18 1HH2 ARG 18 14.193 4.442 9.576 88 HH22 ARG 18 2HH2 ARG 18 13.124 5.816 9.448 89 H CYS 19 H CYS 19 8.516 0.358 11.168 90 HA CYS 19 HA CYS 19 10.630 -1.003 12.694 91 HB3 CYS 19 2HB CYS 19 8.813 -0.706 14.500 92 HG CYS 19 HG CYS 19 9.810 1.889 12.645 93 H ALA 20 H ALA 20 10.005 -2.878 14.125 94 HA ALA 20 HA ALA 20 9.424 -5.119 12.471 95 HB1 ALA 20 1HB ALA 20 9.425 -4.882 15.517 96 HB2 ALA 20 2HB ALA 20 9.553 -6.389 14.592 97 HB3 ALA 20 3HB ALA 20 10.854 -5.183 14.499 98 H ALA 21 H ALA 21 7.678 -6.465 12.249 99 HA ALA 21 HA ALA 21 5.564 -7.234 12.184 100 HB1 ALA 21 1HB ALA 21 5.283 -6.042 14.971 101 HB2 ALA 21 2HB ALA 21 4.337 -7.369 14.270 102 HB3 ALA 21 3HB ALA 21 6.061 -7.592 14.587 103 H CYS 22 H CYS 22 6.041 -4.207 11.484 104 HA CYS 22 HA CYS 22 3.390 -3.054 11.874 105 HB3 CYS 22 2HB CYS 22 4.455 -1.137 10.582 106 HG CYS 22 HG CYS 22 6.092 -2.491 13.147 107 H ALA 23 H ALA 23 4.724 -4.960 9.238 108 HA ALA 23 HA ALA 23 2.997 -3.975 7.165 109 HB1 ALA 23 1HB ALA 23 4.017 -6.816 7.658 110 HB2 ALA 23 2HB ALA 23 3.356 -6.198 6.143 111 HB3 ALA 23 3HB ALA 23 4.890 -5.553 6.762 112 H SER 24 H SER 24 2.369 -6.093 9.954 113 HA SER 24 HA SER 24 0.068 -7.449 9.167 114 HB3 SER 24 2HB SER 24 -0.444 -7.628 11.531 115 HG SER 24 HG SER 24 1.266 -8.784 11.832 116 H SER 25 H SER 25 0.265 -4.089 10.369 117 HA SER 25 HA SER 25 -2.588 -3.699 10.599 118 HB3 SER 25 2HB SER 25 -2.064 -1.552 11.306 119 HG SER 25 HG SER 25 0.139 -1.723 12.344 120 H ILE 26 H ILE 26 -0.530 -3.821 7.895 121 HA ILE 26 HA ILE 26 -2.562 -2.518 6.110 122 HB ILE 26 HB ILE 26 0.343 -3.330 5.704 123 HG13 ILE 26 2HG1 ILE 26 -1.229 -0.747 5.432 124 HG21 ILE 26 1HG2 ILE 26 0.121 -2.895 3.307 125 HG22 ILE 26 2HG2 ILE 26 -0.826 -4.287 3.775 126 HG23 ILE 26 3HG2 ILE 26 -1.645 -2.730 3.479 127 HD11 ILE 26 3HD1 ILE 26 1.546 -1.342 6.564 128 HD12 ILE 26 1HD1 ILE 26 0.748 0.242 6.527 129 HD13 ILE 26 2HD1 ILE 26 0.091 -1.063 7.540 130 H GLU 27 H GLU 27 -0.820 -5.643 6.638 131 HA GLU 27 HA GLU 27 -2.275 -6.947 4.562 132 HB3 GLU 27 2HB GLU 27 -1.340 -9.054 5.547 133 HG3 GLU 27 2HG GLU 27 0.776 -6.874 5.373 134 H ARG 28 H ARG 28 -3.127 -6.568 8.015 135 HA ARG 28 HA ARG 28 -5.418 -8.374 7.749 136 HB3 ARG 28 2HB ARG 28 -5.068 -6.310 9.939 137 HG3 ARG 28 2HG ARG 28 -6.247 -9.126 9.783 138 HD3 ARG 28 2HD ARG 28 -6.201 -7.246 12.170 139 HE ARG 28 HE ARG 28 -7.826 -9.569 11.491 140 HH11 ARG 28 1HH1 ARG 28 -6.636 -7.711 14.308 141 HH12 ARG 28 2HH1 ARG 28 -8.002 -8.254 15.253 142 HH21 ARG 28 1HH2 ARG 28 -9.391 -10.339 12.916 143 HH22 ARG 28 2HH2 ARG 28 -9.340 -9.783 14.575 144 H ALA 29 H ALA 29 -4.851 -5.325 6.446 145 HA ALA 29 HA ALA 29 -7.781 -4.690 6.289 146 HB1 ALA 29 1HB ALA 29 -6.233 -2.914 7.084 147 HB2 ALA 29 2HB ALA 29 -5.380 -2.969 5.530 148 HB3 ALA 29 3HB ALA 29 -7.089 -2.484 5.592 149 H LEU 30 H LEU 30 -4.886 -5.362 4.267 150 HA LEU 30 HA LEU 30 -5.918 -4.574 1.848 151 HB3 LEU 30 2HB LEU 30 -3.906 -6.811 2.332 152 HG LEU 30 HG LEU 30 -4.651 -5.160 -0.072 153 HD11 LEU 30 1HD1 LEU 30 -2.349 -5.022 -0.898 154 HD12 LEU 30 2HD1 LEU 30 -1.734 -5.695 0.633 155 HD13 LEU 30 3HD1 LEU 30 -2.525 -4.103 0.600 156 HD21 LEU 30 3HD2 LEU 30 -3.131 -7.795 0.230 157 HD22 LEU 30 1HD2 LEU 30 -3.701 -7.084 -1.293 158 HD23 LEU 30 2HD2 LEU 30 -4.868 -7.645 -0.091 159 H GLU 31 H GLU 31 -6.589 -7.748 3.288 160 HA GLU 31 HA GLU 31 -7.906 -8.723 0.866 161 HB3 GLU 31 2HB GLU 31 -6.863 -10.339 2.247 162 HG3 GLU 31 2HG GLU 31 -8.805 -9.600 4.477 163 H ARG 32 H ARG 32 -8.814 -6.517 3.265 164 HA ARG 32 HA ARG 32 -11.701 -6.976 2.877 165 HB3 ARG 32 2HB ARG 32 -12.057 -5.439 4.703 166 HG3 ARG 32 2HG ARG 32 -9.712 -7.200 5.568 167 HD3 ARG 32 2HD ARG 32 -12.070 -5.999 7.076 168 HE ARG 32 HE ARG 32 -10.588 -8.199 7.893 169 HH11 ARG 32 1HH1 ARG 32 -11.299 -4.967 9.198 170 HH12 ARG 32 2HH1 ARG 32 -10.833 -5.422 10.804 171 HH21 ARG 32 1HH2 ARG 32 -9.934 -8.678 10.032 172 HH22 ARG 32 2HH2 ARG 32 -10.164 -7.464 11.274 173 H LEU 33 H LEU 33 -9.102 -4.754 2.004 174 HA LEU 33 HA LEU 33 -10.612 -2.469 1.165 175 HB3 LEU 33 2HB LEU 33 -8.636 -1.948 -0.242 176 HG LEU 33 HG LEU 33 -7.623 -3.069 2.381 177 HD11 LEU 33 1HD1 LEU 33 -5.828 -1.434 2.117 178 HD12 LEU 33 2HD1 LEU 33 -6.520 -0.899 0.569 179 HD13 LEU 33 3HD1 LEU 33 -5.876 -2.540 0.733 180 HD21 LEU 33 3HD2 LEU 33 -7.887 -0.820 3.326 181 HD22 LEU 33 1HD2 LEU 33 -9.451 -1.516 2.893 182 HD23 LEU 33 2HD2 LEU 33 -8.707 -0.282 1.848 183 H LYS 34 H LYS 34 -11.054 -1.718 -1.013 184 HA LYS 34 HA LYS 34 -12.141 -3.852 -2.762 185 HB3 LYS 34 2HB LYS 34 -13.516 -1.888 -2.069 186 HG3 LYS 34 2HG LYS 34 -11.808 -0.338 -4.052 187 HD3 LYS 34 2HD LYS 34 -14.012 0.615 -2.186 188 HE3 LYS 34 2HE LYS 34 -12.166 2.005 -4.187 189 HZ1 LYS 34 3HZ LYS 34 -13.336 3.986 -3.641 190 HZ2 LYS 34 1HZ LYS 34 -14.360 3.193 -2.605 191 HZ3 LYS 34 2HZ LYS 34 -14.439 2.897 -4.213 192 H GLY 35 H GLY 35 -11.635 -4.152 -4.935 193 HA2 GLY 35 2HA GLY 35 -10.765 -3.779 -7.015 194 HA3 GLY 35 3HA GLY 35 -10.001 -2.290 -6.420 195 H VAL 36 H VAL 36 -8.878 -4.836 -4.506 196 HA VAL 36 HA VAL 36 -6.334 -4.893 -6.075 197 HB VAL 36 HB VAL 36 -5.904 -3.631 -4.170 198 HG11 VAL 36 1HG1 VAL 36 -6.322 -4.272 -1.845 199 HG12 VAL 36 2HG1 VAL 36 -7.834 -4.120 -2.737 200 HG13 VAL 36 3HG1 VAL 36 -7.163 -5.732 -2.384 201 HG21 VAL 36 3HG2 VAL 36 -4.940 -6.434 -3.454 202 HG22 VAL 36 1HG2 VAL 36 -4.164 -5.334 -4.612 203 HG23 VAL 36 2HG2 VAL 36 -4.252 -4.900 -2.902 204 H ALA 37 H ALA 37 -5.352 -6.760 -6.505 205 HA ALA 37 HA ALA 37 -6.956 -9.245 -6.010 206 HB1 ALA 37 1HB ALA 37 -6.880 -8.387 -8.302 207 HB2 ALA 37 2HB ALA 37 -5.098 -8.452 -8.281 208 HB3 ALA 37 3HB ALA 37 -6.045 -9.946 -8.191 209 H GLU 38 H GLU 38 -3.637 -8.020 -5.665 210 HA GLU 38 HA GLU 38 -2.889 -10.078 -3.933 211 HB3 GLU 38 2HB GLU 38 -2.726 -11.676 -5.662 212 HG3 GLU 38 2HG GLU 38 -0.958 -9.773 -7.246 213 H ALA 39 H ALA 39 -0.758 -9.806 -2.985 214 HA ALA 39 HA ALA 39 0.704 -7.334 -3.759 215 HB1 ALA 39 1HB ALA 39 0.120 -6.209 -1.650 216 HB2 ALA 39 2HB ALA 39 -1.347 -6.598 -2.553 217 HB3 ALA 39 3HB ALA 39 -0.873 -7.601 -1.163 218 H SER 40 H SER 40 2.259 -6.744 -1.898 219 HA SER 40 HA SER 40 3.000 -8.597 0.139 220 HB3 SER 40 2HB SER 40 5.428 -8.904 -0.694 221 HG SER 40 HG SER 40 3.171 -10.258 -1.729 222 H VAL 41 H VAL 41 3.901 -7.464 1.764 223 HA VAL 41 HA VAL 41 4.671 -4.619 1.328 224 HB VAL 41 HB VAL 41 4.264 -6.169 3.921 225 HG11 VAL 41 1HG1 VAL 41 3.965 -3.868 4.895 226 HG12 VAL 41 2HG1 VAL 41 5.591 -4.145 4.274 227 HG13 VAL 41 3HG1 VAL 41 4.433 -3.183 3.328 228 HG21 VAL 41 3HG2 VAL 41 2.270 -4.386 2.461 229 HG22 VAL 41 1HG2 VAL 41 2.118 -6.138 2.712 230 HG23 VAL 41 2HG2 VAL 41 2.061 -5.043 4.094 231 H THR 42 H THR 42 6.750 -3.822 1.854 232 HA THR 42 HA THR 42 8.794 -5.772 2.856 233 HB THR 42 HB THR 42 9.426 -3.538 0.924 234 HG1 THR 42 1HG THR 42 9.651 -5.131 -0.597 235 HG21 THR 42 3HG2 THR 42 11.519 -4.905 0.677 236 HG22 THR 42 1HG2 THR 42 10.936 -5.997 1.942 237 HG23 THR 42 2HG2 THR 42 11.302 -4.296 2.315 238 H VAL 43 H VAL 43 8.334 -5.077 4.958 239 HA VAL 43 HA VAL 43 8.682 -2.382 5.909 240 HB VAL 43 HB VAL 43 8.714 -5.129 7.157 241 HG11 VAL 43 1HG1 VAL 43 9.156 -2.572 8.740 242 HG12 VAL 43 2HG1 VAL 43 8.833 -4.189 9.406 243 HG13 VAL 43 3HG1 VAL 43 10.341 -3.886 8.552 244 HG21 VAL 43 3HG2 VAL 43 6.566 -4.046 6.504 245 HG22 VAL 43 1HG2 VAL 43 6.677 -4.214 8.266 246 HG23 VAL 43 2HG2 VAL 43 6.963 -2.641 7.513 247 H ALA 44 H ALA 44 11.034 -4.929 5.100 248 HA ALA 44 HA ALA 44 13.265 -4.038 6.516 249 HB1 ALA 44 1HB ALA 44 13.139 -5.285 3.726 250 HB2 ALA 44 2HB ALA 44 14.547 -5.292 4.805 251 HB3 ALA 44 3HB ALA 44 13.077 -6.167 5.269 252 H THR 45 H THR 45 11.889 -2.469 3.725 253 HA THR 45 HA THR 45 14.089 -0.428 3.703 254 HB THR 45 HB THR 45 13.671 -0.223 1.244 255 HG1 THR 45 1HG THR 45 12.699 -2.353 0.461 256 HG21 THR 45 3HG2 THR 45 15.541 -1.633 2.219 257 HG22 THR 45 1HG2 THR 45 15.014 -2.112 0.605 258 HG23 THR 45 2HG2 THR 45 14.501 -3.052 2.026 259 H GLY 46 H GLY 46 10.642 -1.032 3.721 260 HA2 GLY 46 2HA GLY 46 8.945 0.544 4.165 261 HA3 GLY 46 3HA GLY 46 10.073 1.887 3.843 262 H ARG 47 H ARG 47 8.739 -0.985 2.183 263 HA ARG 47 HA ARG 47 7.796 0.664 -0.078 264 HB3 ARG 47 2HB ARG 47 8.624 -1.016 -1.715 265 HG3 ARG 47 2HG ARG 47 10.909 0.238 -0.149 266 HD3 ARG 47 2HD ARG 47 10.681 -0.982 -2.925 267 HE ARG 47 HE ARG 47 13.033 0.651 -2.063 268 HH11 ARG 47 1HH1 ARG 47 10.662 0.085 -4.653 269 HH12 ARG 47 2HH1 ARG 47 11.009 1.643 -5.375 270 HH21 ARG 47 1HH2 ARG 47 13.627 2.323 -3.198 271 HH22 ARG 47 2HH2 ARG 47 12.833 2.824 -4.679 272 H LEU 48 H LEU 48 6.281 -0.510 -1.455 273 HA LEU 48 HA LEU 48 5.014 -2.946 -0.315 274 HB3 LEU 48 2HB LEU 48 3.114 -0.819 -1.185 275 HG LEU 48 HG LEU 48 3.202 -2.439 1.382 276 HD11 LEU 48 1HD1 LEU 48 0.824 -1.681 1.544 277 HD12 LEU 48 2HD1 LEU 48 1.050 -0.717 0.073 278 HD13 LEU 48 3HD1 LEU 48 1.960 -0.321 1.551 279 HD21 LEU 48 3HD2 LEU 48 1.640 -2.918 -1.210 280 HD22 LEU 48 1HD2 LEU 48 1.257 -3.703 0.336 281 HD23 LEU 48 2HD2 LEU 48 2.807 -4.015 -0.433 282 H THR 49 H THR 49 3.999 -4.210 -1.916 283 HA THR 49 HA THR 49 4.081 -3.238 -4.745 284 HB THR 49 HB THR 49 4.897 -6.027 -3.846 285 HG1 THR 49 1HG THR 49 6.516 -4.646 -3.330 286 HG21 THR 49 3HG2 THR 49 5.004 -4.627 -6.566 287 HG22 THR 49 1HG2 THR 49 3.905 -5.952 -6.122 288 HG23 THR 49 2HG2 THR 49 5.646 -6.245 -6.192 289 H VAL 50 H VAL 50 2.247 -3.609 -5.824 290 HA VAL 50 HA VAL 50 0.113 -5.314 -4.660 291 HB VAL 50 HB VAL 50 0.101 -3.227 -3.364 292 HG11 VAL 50 1HG1 VAL 50 -0.540 -1.078 -4.303 293 HG12 VAL 50 2HG1 VAL 50 0.977 -1.623 -5.031 294 HG13 VAL 50 3HG1 VAL 50 -0.544 -1.739 -5.942 295 HG21 VAL 50 3HG2 VAL 50 -2.251 -2.675 -3.548 296 HG22 VAL 50 1HG2 VAL 50 -2.345 -3.421 -5.157 297 HG23 VAL 50 2HG2 VAL 50 -2.005 -4.425 -3.728 298 H THR 51 H THR 51 -1.294 -6.065 -6.074 299 HA THR 51 HA THR 51 -1.362 -5.087 -8.894 300 HB THR 51 HB THR 51 -2.228 -7.734 -7.624 301 HG1 THR 51 1HG THR 51 -0.004 -7.532 -8.081 302 HG21 THR 51 3HG2 THR 51 -2.368 -6.847 -10.577 303 HG22 THR 51 1HG2 THR 51 -3.782 -7.026 -9.537 304 HG23 THR 51 2HG2 THR 51 -2.809 -8.440 -9.922 305 H TYR 52 H TYR 52 -2.913 -3.662 -9.244 306 HA TYR 52 HA TYR 52 -5.641 -4.212 -8.223 307 HB3 TYR 52 2HB TYR 52 -4.736 -2.584 -6.678 308 HD1 TYR 52 1HD TYR 52 -5.152 -0.574 -9.906 309 HD2 TYR 52 2HD TYR 52 -2.937 -1.171 -6.248 310 HE1 TYR 52 1HE TYR 52 -3.895 1.491 -10.337 311 HE2 TYR 52 2HE TYR 52 -1.666 0.919 -6.695 312 HH TYR 52 HH TYR 52 -1.503 2.853 -8.089 313 H ASP 53 H ASP 53 -7.328 -2.902 -9.390 314 HA ASP 53 HA ASP 53 -6.738 -2.802 -12.283 315 HB3 ASP 53 2HB ASP 53 -9.315 -2.800 -10.712 316 HA PRO 54 HA PRO 54 -6.233 1.570 -11.395 317 HB3 PRO 54 2HB PRO 54 -4.386 1.354 -12.802 318 HG3 PRO 54 2HG PRO 54 -4.523 0.132 -14.865 319 HD3 PRO 54 2HD PRO 54 -5.086 -1.363 -13.130 320 H LYS 55 H LYS 55 -8.905 0.326 -12.701 321 HA LYS 55 HA LYS 55 -10.094 2.939 -13.595 322 HB3 LYS 55 2HB LYS 55 -10.713 0.141 -14.643 323 HG3 LYS 55 2HG LYS 55 -11.578 2.865 -15.711 324 HD3 LYS 55 2HD LYS 55 -13.091 1.499 -17.145 325 HE3 LYS 55 2HE LYS 55 -10.141 0.808 -17.515 326 HZ1 LYS 55 3HZ LYS 55 -12.354 0.899 -19.496 327 HZ2 LYS 55 1HZ LYS 55 -11.518 -0.450 -19.000 328 HZ3 LYS 55 2HZ LYS 55 -10.766 0.719 -19.852 329 H GLN 56 H GLN 56 -10.607 -0.150 -11.902 330 HA GLN 56 HA GLN 56 -12.985 0.699 -10.444 331 HB3 GLN 56 2HB GLN 56 -12.235 -1.048 -8.809 332 HG3 GLN 56 2HG GLN 56 -12.097 -2.077 -11.671 333 HE21 GLN 56 1HE2 GLN 56 -14.511 -3.430 -9.670 334 HE22 GLN 56 2HE2 GLN 56 -13.637 -4.924 -9.351 335 H VAL 57 H VAL 57 -9.430 0.984 -9.829 336 HA VAL 57 HA VAL 57 -9.999 2.953 -7.667 337 HB VAL 57 HB VAL 57 -8.504 1.754 -6.098 338 HG11 VAL 57 1HG1 VAL 57 -10.847 0.001 -6.874 339 HG12 VAL 57 2HG1 VAL 57 -10.020 0.112 -5.311 340 HG13 VAL 57 3HG1 VAL 57 -10.948 1.496 -5.913 341 HG21 VAL 57 3HG2 VAL 57 -7.223 0.374 -7.743 342 HG22 VAL 57 1HG2 VAL 57 -7.882 -0.568 -6.398 343 HG23 VAL 57 2HG2 VAL 57 -8.670 -0.633 -7.982 344 H SER 58 H SER 58 -7.731 3.456 -6.569 345 HA SER 58 HA SER 58 -5.420 3.465 -8.354 346 HB3 SER 58 2HB SER 58 -6.613 5.607 -8.926 347 HG SER 58 HG SER 58 -5.831 6.909 -6.641 348 H GLU 59 H GLU 59 -3.792 5.099 -6.671 349 HA GLU 59 HA GLU 59 -3.314 3.573 -4.338 350 HB3 GLU 59 2HB GLU 59 -1.536 4.857 -4.855 351 HG3 GLU 59 2HG GLU 59 -2.356 6.447 -6.485 352 H ILE 60 H ILE 60 -5.856 5.953 -4.808 353 HA ILE 60 HA ILE 60 -6.397 6.692 -2.133 354 HB ILE 60 HB ILE 60 -8.017 6.434 -4.645 355 HG13 ILE 60 2HG1 ILE 60 -8.120 8.783 -4.571 356 HG21 ILE 60 1HG2 ILE 60 -9.705 5.736 -3.083 357 HG22 ILE 60 2HG2 ILE 60 -9.297 7.046 -1.957 358 HG23 ILE 60 3HG2 ILE 60 -10.013 7.413 -3.540 359 HD11 ILE 60 3HD1 ILE 60 -8.678 9.358 -2.291 360 HD12 ILE 60 1HD1 ILE 60 -7.150 8.696 -1.677 361 HD13 ILE 60 2HD1 ILE 60 -7.150 10.149 -2.686 362 H THR 61 H THR 61 -7.088 3.547 -3.625 363 HA THR 61 HA THR 61 -8.872 2.619 -1.583 364 HB THR 61 HB THR 61 -8.232 1.590 -3.882 365 HG1 THR 61 1HG THR 61 -9.011 -0.415 -3.004 366 HG21 THR 61 3HG2 THR 61 -6.402 -0.123 -2.190 367 HG22 THR 61 1HG2 THR 61 -5.840 1.092 -3.373 368 HG23 THR 61 2HG2 THR 61 -6.795 -0.298 -3.909 369 H ILE 62 H ILE 62 -5.438 3.005 -1.564 370 HA ILE 62 HA ILE 62 -5.226 1.569 1.081 371 HB ILE 62 HB ILE 62 -4.412 0.464 -1.039 372 HG13 ILE 62 2HG1 ILE 62 -3.850 -0.282 1.227 373 HG21 ILE 62 1HG2 ILE 62 -3.296 2.416 -2.079 374 HG22 ILE 62 2HG2 ILE 62 -2.050 2.366 -0.810 375 HG23 ILE 62 3HG2 ILE 62 -2.250 1.016 -1.955 376 HD11 ILE 62 3HD1 ILE 62 -1.324 -0.432 -0.475 377 HD12 ILE 62 1HD1 ILE 62 -1.823 -1.533 0.827 378 HD13 ILE 62 2HD1 ILE 62 -2.748 -1.479 -0.688 379 H GLN 63 H GLN 63 -4.606 4.521 -0.536 380 HA GLN 63 HA GLN 63 -2.657 5.770 1.007 381 HB3 GLN 63 2HB GLN 63 -5.233 6.927 -0.152 382 HG3 GLN 63 2HG GLN 63 -2.581 8.380 -0.061 383 HE21 GLN 63 1HE2 GLN 63 -3.849 8.875 -2.387 384 HE22 GLN 63 2HE2 GLN 63 -4.921 10.235 -2.215 385 H GLU 64 H GLU 64 -6.193 5.626 1.761 386 HA GLU 64 HA GLU 64 -5.950 7.420 4.053 387 HB3 GLU 64 2HB GLU 64 -8.291 6.912 4.444 388 HG3 GLU 64 2HG GLU 64 -7.865 7.097 1.428 389 H ARG 65 H ARG 65 -6.069 3.872 3.648 390 HA ARG 65 HA ARG 65 -5.910 3.224 6.448 391 HB3 ARG 65 2HB ARG 65 -5.180 1.812 3.868 392 HG3 ARG 65 2HG ARG 65 -3.669 0.758 5.380 393 HD3 ARG 65 2HD ARG 65 -4.589 1.360 7.610 394 HE ARG 65 HE ARG 65 -7.038 0.598 7.034 395 HH11 ARG 65 1HH1 ARG 65 -4.763 -1.404 8.922 396 HH12 ARG 65 2HH1 ARG 65 -6.013 -1.961 9.970 397 HH21 ARG 65 1HH2 ARG 65 -8.618 -0.271 8.394 398 HH22 ARG 65 2HH2 ARG 65 -8.154 -1.422 9.598 399 H ILE 66 H ILE 66 -3.248 3.683 4.009 400 HA ILE 66 HA ILE 66 -1.195 3.304 6.038 401 HB ILE 66 HB ILE 66 -1.060 4.575 3.279 402 HG13 ILE 66 2HG1 ILE 66 -1.676 2.032 3.620 403 HG21 ILE 66 1HG2 ILE 66 1.231 3.656 5.095 404 HG22 ILE 66 2HG2 ILE 66 1.422 4.252 3.444 405 HG23 ILE 66 3HG2 ILE 66 0.866 5.353 4.688 406 HD11 ILE 66 3HD1 ILE 66 0.765 2.672 1.929 407 HD12 ILE 66 1HD1 ILE 66 -0.264 1.238 1.817 408 HD13 ILE 66 2HD1 ILE 66 -0.949 2.823 1.439 409 H ALA 67 H ALA 67 -2.817 6.282 4.887 410 HA ALA 67 HA ALA 67 -1.212 8.085 6.399 411 HB1 ALA 67 1HB ALA 67 -4.109 8.322 5.469 412 HB2 ALA 67 2HB ALA 67 -3.073 9.656 6.011 413 HB3 ALA 67 3HB ALA 67 -2.667 8.777 4.533 414 H ALA 68 H ALA 68 -4.296 6.466 7.263 415 HA ALA 68 HA ALA 68 -4.601 7.734 9.796 416 HB1 ALA 68 1HB ALA 68 -6.363 6.029 10.088 417 HB2 ALA 68 2HB ALA 68 -6.399 6.724 8.449 418 HB3 ALA 68 3HB ALA 68 -5.702 5.111 8.712 419 H LEU 69 H LEU 69 -2.797 4.808 8.909 420 HA LEU 69 HA LEU 69 -2.220 3.873 11.595 421 HB3 LEU 69 2HB LEU 69 -0.309 2.717 10.358 422 HG LEU 69 HG LEU 69 -3.118 2.373 9.232 423 HD11 LEU 69 1HD1 LEU 69 -1.396 1.539 7.674 424 HD12 LEU 69 2HD1 LEU 69 -2.251 0.191 8.430 425 HD13 LEU 69 3HD1 LEU 69 -0.628 0.631 8.995 426 HD21 LEU 69 3HD2 LEU 69 -1.622 0.841 11.395 427 HD22 LEU 69 1HD2 LEU 69 -3.195 0.387 10.694 428 HD23 LEU 69 2HD2 LEU 69 -3.049 1.874 11.625 429 H GLY 70 H GLY 70 -1.185 6.742 10.117 430 HA2 GLY 70 2HA GLY 70 0.166 8.377 11.197 431 HA3 GLY 70 3HA GLY 70 1.056 7.098 12.057 432 H TYR 71 H TYR 71 0.784 6.058 8.936 433 HA TYR 71 HA TYR 71 3.535 6.898 8.203 434 HB3 TYR 71 2HB TYR 71 3.370 4.970 6.672 435 HD1 TYR 71 2HD TYR 71 4.184 5.331 9.713 436 HD2 TYR 71 1HD TYR 71 1.595 2.576 7.636 437 HE1 TYR 71 2HE TYR 71 4.563 3.658 11.475 438 HE2 TYR 71 1HE TYR 71 1.982 0.879 9.417 439 HH TYR 71 HH TYR 71 4.132 1.534 12.216 440 H THR 72 H THR 72 3.657 6.977 5.560 441 HA THR 72 HA THR 72 1.279 8.040 4.239 442 HB THR 72 HB THR 72 2.635 9.963 3.207 443 HG1 THR 72 1HG THR 72 3.905 9.998 5.736 444 HG21 THR 72 3HG2 THR 72 1.727 11.571 4.620 445 HG22 THR 72 1HG2 THR 72 1.801 10.533 6.052 446 HG23 THR 72 2HG2 THR 72 0.624 10.198 4.764 447 H LEU 73 H LEU 73 1.159 7.013 2.343 448 HA LEU 73 HA LEU 73 3.452 5.568 1.353 449 HB3 LEU 73 2HB LEU 73 0.895 4.987 1.287 450 HG LEU 73 HG LEU 73 1.262 5.990 -1.569 451 HD11 LEU 73 1HD1 LEU 73 -0.989 5.059 -1.885 452 HD12 LEU 73 2HD1 LEU 73 -1.047 4.552 -0.189 453 HD13 LEU 73 3HD1 LEU 73 0.107 3.807 -1.307 454 HD21 LEU 73 3HD2 LEU 73 -0.708 7.401 -1.223 455 HD22 LEU 73 1HD2 LEU 73 0.556 7.902 -0.098 456 HD23 LEU 73 2HD2 LEU 73 -0.793 6.914 0.479 457 H ALA 74 H ALA 74 4.303 5.560 -0.843 458 HA ALA 74 HA ALA 74 4.088 8.158 -2.318 459 HB1 ALA 74 1HB ALA 74 6.136 8.198 -0.977 460 HB2 ALA 74 2HB ALA 74 6.628 6.630 -1.633 461 HB3 ALA 74 3HB ALA 74 6.536 8.049 -2.702 462 H GLU 75 H GLU 75 2.483 6.918 -3.478 463 HA GLU 75 HA GLU 75 3.625 5.199 -5.645 464 HB3 GLU 75 2HB GLU 75 0.683 5.457 -4.934 465 HG3 GLU 75 2HG GLU 75 0.758 3.023 -5.736 466 HA PRO 76 HA PRO 76 3.456 9.436 -6.736 467 HB3 PRO 76 2HB PRO 76 5.665 9.211 -7.232 468 HG3 PRO 76 2HG PRO 76 6.493 7.307 -8.412 469 HD3 PRO 76 2HD PRO 76 5.287 6.505 -6.548 Start of MODEL 12 1 H2 PRO 6 2H PRO 6 -9.171 -4.929 -16.028 2 HA PRO 6 HA PRO 6 -6.951 -6.295 -16.985 3 HB3 PRO 6 2HB PRO 6 -5.853 -4.871 -18.462 4 HG3 PRO 6 2HG PRO 6 -7.928 -5.468 -19.557 5 HD3 PRO 6 2HD PRO 6 -10.032 -4.814 -18.547 6 H LEU 7 H LEU 7 -5.514 -6.407 -15.377 7 HA LEU 7 HA LEU 7 -5.442 -4.275 -13.309 8 HB3 LEU 7 2HB LEU 7 -6.833 -5.971 -12.456 9 HG LEU 7 HG LEU 7 -5.772 -7.934 -13.940 10 HD11 LEU 7 1HD1 LEU 7 -4.384 -8.378 -11.267 11 HD12 LEU 7 2HD1 LEU 7 -3.542 -7.881 -12.747 12 HD13 LEU 7 3HD1 LEU 7 -4.362 -9.446 -12.682 13 HD21 LEU 7 3HD2 LEU 7 -6.841 -9.556 -12.418 14 HD22 LEU 7 1HD2 LEU 7 -7.831 -8.108 -12.653 15 HD23 LEU 7 2HD2 LEU 7 -6.910 -8.312 -11.146 16 H LYS 8 H LYS 8 -3.500 -4.031 -12.193 17 HA LYS 8 HA LYS 8 -1.068 -5.168 -13.436 18 HB3 LYS 8 2HB LYS 8 -1.645 -3.451 -15.013 19 HG3 LYS 8 2HG LYS 8 -1.962 -1.597 -12.622 20 HD3 LYS 8 2HD LYS 8 -2.190 0.205 -14.418 21 HE3 LYS 8 2HE LYS 8 0.541 -1.048 -13.857 22 HZ1 LYS 8 3HZ LYS 8 -0.107 1.729 -14.677 23 HZ2 LYS 8 1HZ LYS 8 0.760 0.645 -15.591 24 HZ3 LYS 8 2HZ LYS 8 1.344 1.200 -14.169 25 H THR 9 H THR 9 0.851 -4.810 -12.443 26 HA THR 9 HA THR 9 0.721 -4.384 -9.546 27 HB THR 9 HB THR 9 3.059 -5.270 -11.284 28 HG1 THR 9 1HG THR 9 1.036 -6.726 -9.919 29 HG21 THR 9 3HG2 THR 9 3.733 -6.470 -9.177 30 HG22 THR 9 1HG2 THR 9 2.450 -5.607 -8.303 31 HG23 THR 9 2HG2 THR 9 3.814 -4.717 -9.022 32 H GLN 10 H GLN 10 2.077 -3.031 -8.350 33 HA GLN 10 HA GLN 10 3.756 -0.968 -9.572 34 HB3 GLN 10 2HB GLN 10 1.114 -0.450 -8.135 35 HG3 GLN 10 2HG GLN 10 2.809 1.191 -7.285 36 HE21 GLN 10 1HE2 GLN 10 4.418 2.747 -7.701 37 HE22 GLN 10 2HE2 GLN 10 4.641 3.567 -9.253 38 H GLN 11 H GLN 11 5.261 -0.252 -8.003 39 HA GLN 11 HA GLN 11 4.847 -1.199 -5.210 40 HB3 GLN 11 2HB GLN 11 7.295 -0.660 -4.922 41 HG3 GLN 11 2HG GLN 11 7.022 -2.802 -7.045 42 HE21 GLN 11 1HE2 GLN 11 7.650 -3.832 -3.865 43 HE22 GLN 11 2HE2 GLN 11 9.404 -3.810 -3.911 44 H MET 12 H MET 12 5.402 0.307 -3.505 45 HA MET 12 HA MET 12 5.555 3.156 -4.267 46 HB3 MET 12 2HB MET 12 3.183 2.900 -4.132 47 HG3 MET 12 2HG MET 12 3.668 1.713 -1.375 48 HE1 MET 12 3HE MET 12 1.053 3.639 -3.680 49 HE2 MET 12 1HE MET 12 0.644 1.918 -3.882 50 HE3 MET 12 2HE MET 12 -0.459 3.013 -3.026 51 H GLN 13 H GLN 13 6.270 4.520 -2.699 52 HA GLN 13 HA GLN 13 7.883 3.252 -0.549 53 HB3 GLN 13 2HB GLN 13 9.222 4.686 -1.891 54 HG3 GLN 13 2HG GLN 13 7.191 6.896 -1.449 55 HE21 GLN 13 1HE2 GLN 13 8.475 8.671 -0.839 56 HE22 GLN 13 2HE2 GLN 13 9.944 9.137 -1.686 57 H VAL 14 H VAL 14 7.765 4.173 1.570 58 HA VAL 14 HA VAL 14 5.340 5.579 2.406 59 HB VAL 14 HB VAL 14 4.296 3.458 2.120 60 HG11 VAL 14 1HG1 VAL 14 5.009 1.366 3.152 61 HG12 VAL 14 2HG1 VAL 14 6.226 1.946 2.015 62 HG13 VAL 14 3HG1 VAL 14 6.487 2.129 3.762 63 HG21 VAL 14 3HG2 VAL 14 4.937 3.668 5.089 64 HG22 VAL 14 1HG2 VAL 14 3.805 4.729 4.227 65 HG23 VAL 14 2HG2 VAL 14 3.486 2.985 4.333 66 H GLY 15 H GLY 15 5.771 6.736 4.097 67 HA2 GLY 15 2HA GLY 15 8.451 6.608 5.237 68 HA3 GLY 15 3HA GLY 15 7.246 7.891 5.460 69 H GLY 16 H GLY 16 7.883 4.518 6.407 70 HA2 GLY 16 2HA GLY 16 8.587 4.470 8.835 71 HA3 GLY 16 3HA GLY 16 7.017 5.151 9.223 72 H MET 17 H MET 17 6.730 2.795 6.724 73 HA MET 17 HA MET 17 5.342 0.913 8.393 74 HB3 MET 17 2HB MET 17 6.511 0.490 5.608 75 HG3 MET 17 2HG MET 17 4.168 -0.792 7.072 76 HE1 MET 17 3HE MET 17 6.281 -2.520 4.376 77 HE2 MET 17 1HE MET 17 5.407 -2.201 2.867 78 HE3 MET 17 2HE MET 17 6.301 -0.888 3.663 79 H ARG 18 H ARG 18 8.755 1.215 7.698 80 HA ARG 18 HA ARG 18 9.598 -1.450 8.092 81 HB3 ARG 18 2HB ARG 18 10.967 0.295 7.032 82 HG3 ARG 18 2HG ARG 18 11.241 1.405 9.858 83 HD3 ARG 18 2HD ARG 18 12.662 2.215 7.293 84 HE ARG 18 HE ARG 18 13.447 3.487 9.791 85 HH11 ARG 18 1HH1 ARG 18 11.345 3.967 6.954 86 HH12 ARG 18 2HH1 ARG 18 10.921 5.585 7.514 87 HH21 ARG 18 1HH2 ARG 18 12.920 5.544 10.293 88 HH22 ARG 18 2HH2 ARG 18 11.768 6.431 9.312 89 H CYS 19 H CYS 19 7.934 -0.102 10.444 90 HA CYS 19 HA CYS 19 9.622 -0.694 12.777 91 HB3 CYS 19 2HB CYS 19 8.249 1.335 12.559 92 HG CYS 19 HG CYS 19 5.666 1.490 12.678 93 H ALA 20 H ALA 20 7.396 -1.555 14.470 94 HA ALA 20 HA ALA 20 7.854 -4.353 14.248 95 HB1 ALA 20 1HB ALA 20 5.917 -2.805 16.017 96 HB2 ALA 20 2HB ALA 20 6.396 -4.499 16.230 97 HB3 ALA 20 3HB ALA 20 7.604 -3.215 16.385 98 H ALA 21 H ALA 21 4.542 -2.905 14.307 99 HA ALA 21 HA ALA 21 3.607 -5.449 13.097 100 HB1 ALA 21 1HB ALA 21 2.847 -4.776 15.360 101 HB2 ALA 21 2HB ALA 21 2.141 -3.289 14.676 102 HB3 ALA 21 3HB ALA 21 1.496 -4.873 14.211 103 H CYS 22 H CYS 22 4.000 -2.219 11.991 104 HA CYS 22 HA CYS 22 1.564 -1.823 10.624 105 HB3 CYS 22 2HB CYS 22 4.339 -0.797 9.843 106 HG CYS 22 HG CYS 22 2.045 -0.644 8.162 107 H ALA 23 H ALA 23 4.389 -3.652 9.469 108 HA ALA 23 HA ALA 23 3.553 -4.228 6.822 109 HB1 ALA 23 1HB ALA 23 5.751 -4.795 7.802 110 HB2 ALA 23 2HB ALA 23 4.983 -5.937 8.922 111 HB3 ALA 23 3HB ALA 23 4.974 -6.262 7.181 112 H SER 24 H SER 24 2.271 -5.456 9.911 113 HA SER 24 HA SER 24 0.554 -7.484 8.595 114 HB3 SER 24 2HB SER 24 -0.321 -7.883 10.830 115 HG SER 24 HG SER 24 1.933 -8.214 11.870 116 H SER 25 H SER 25 0.165 -4.302 10.237 117 HA SER 25 HA SER 25 -2.607 -4.094 9.847 118 HB3 SER 25 2HB SER 25 -2.432 -1.914 10.694 119 HG SER 25 HG SER 25 -0.777 -2.069 12.313 120 H ILE 26 H ILE 26 -0.102 -3.319 7.528 121 HA ILE 26 HA ILE 26 -2.113 -2.361 5.553 122 HB ILE 26 HB ILE 26 0.852 -3.015 5.399 123 HG13 ILE 26 2HG1 ILE 26 -0.897 -0.599 4.730 124 HG21 ILE 26 1HG2 ILE 26 -0.048 -4.120 3.378 125 HG22 ILE 26 2HG2 ILE 26 -0.960 -2.647 2.968 126 HG23 ILE 26 3HG2 ILE 26 0.821 -2.671 2.963 127 HD11 ILE 26 3HD1 ILE 26 0.085 -0.733 7.048 128 HD12 ILE 26 1HD1 ILE 26 1.695 -0.809 6.310 129 HD13 ILE 26 2HD1 ILE 26 0.697 0.644 6.101 130 H GLU 27 H GLU 27 -0.188 -5.418 5.908 131 HA GLU 27 HA GLU 27 -1.424 -6.287 3.497 132 HB3 GLU 27 2HB GLU 27 0.084 -8.114 5.399 133 HG3 GLU 27 2HG GLU 27 1.345 -8.379 3.029 134 H ARG 28 H ARG 28 -2.201 -7.004 6.915 135 HA ARG 28 HA ARG 28 -4.049 -9.164 6.339 136 HB3 ARG 28 2HB ARG 28 -2.895 -8.637 8.549 137 HG3 ARG 28 2HG ARG 28 -5.406 -7.034 9.182 138 HD3 ARG 28 2HD ARG 28 -2.726 -7.531 10.534 139 HE ARG 28 HE ARG 28 -4.458 -5.247 10.942 140 HH11 ARG 28 1HH1 ARG 28 -2.476 -7.535 12.806 141 HH12 ARG 28 2HH1 ARG 28 -2.113 -6.321 14.009 142 HH21 ARG 28 1HH2 ARG 28 -3.940 -3.805 12.463 143 HH22 ARG 28 2HH2 ARG 28 -2.877 -4.202 13.796 144 H ALA 29 H ALA 29 -4.322 -5.675 6.200 145 HA ALA 29 HA ALA 29 -7.288 -5.731 6.050 146 HB1 ALA 29 1HB ALA 29 -7.059 -3.318 6.111 147 HB2 ALA 29 2HB ALA 29 -6.051 -4.030 7.378 148 HB3 ALA 29 3HB ALA 29 -5.294 -3.425 5.887 149 H LEU 30 H LEU 30 -4.462 -5.290 3.938 150 HA LEU 30 HA LEU 30 -5.941 -4.486 1.630 151 HB3 LEU 30 2HB LEU 30 -3.144 -5.678 1.796 152 HG LEU 30 HG LEU 30 -3.641 -5.197 -0.539 153 HD11 LEU 30 1HD1 LEU 30 -4.253 -2.826 -1.236 154 HD12 LEU 30 2HD1 LEU 30 -4.634 -2.488 0.462 155 HD13 LEU 30 3HD1 LEU 30 -5.551 -3.717 -0.444 156 HD21 LEU 30 3HD2 LEU 30 -2.119 -2.849 0.669 157 HD22 LEU 30 1HD2 LEU 30 -1.967 -3.469 -0.985 158 HD23 LEU 30 2HD2 LEU 30 -1.429 -4.466 0.385 159 H GLU 31 H GLU 31 -6.092 -7.503 3.017 160 HA GLU 31 HA GLU 31 -6.881 -8.759 0.433 161 HB3 GLU 31 2HB GLU 31 -5.767 -10.315 1.841 162 HG3 GLU 31 2HG GLU 31 -7.706 -9.468 3.997 163 H ARG 32 H ARG 32 -8.247 -6.521 2.445 164 HA ARG 32 HA ARG 32 -11.005 -7.408 1.711 165 HB3 ARG 32 2HB ARG 32 -11.792 -6.010 3.640 166 HG3 ARG 32 2HG ARG 32 -9.903 -8.279 4.394 167 HD3 ARG 32 2HD ARG 32 -12.322 -7.154 5.870 168 HE ARG 32 HE ARG 32 -10.375 -9.244 6.788 169 HH11 ARG 32 1HH1 ARG 32 -13.780 -8.488 6.093 170 HH12 ARG 32 2HH1 ARG 32 -14.326 -9.945 6.878 171 HH21 ARG 32 1HH2 ARG 32 -11.162 -11.059 7.787 172 HH22 ARG 32 2HH2 ARG 32 -12.876 -11.328 7.902 173 H LEU 33 H LEU 33 -9.055 -4.450 2.455 174 HA LEU 33 HA LEU 33 -10.838 -2.797 0.818 175 HB3 LEU 33 2HB LEU 33 -9.947 -2.004 2.939 176 HG LEU 33 HG LEU 33 -7.452 -2.905 2.358 177 HD11 LEU 33 1HD1 LEU 33 -7.037 -1.326 0.496 178 HD12 LEU 33 2HD1 LEU 33 -5.962 -0.992 1.859 179 HD13 LEU 33 3HD1 LEU 33 -7.376 0.040 1.577 180 HD21 LEU 33 3HD2 LEU 33 -8.255 -2.072 4.545 181 HD22 LEU 33 1HD2 LEU 33 -8.041 -0.402 3.985 182 HD23 LEU 33 2HD2 LEU 33 -6.630 -1.470 4.169 183 H LYS 34 H LYS 34 -10.455 -1.781 -1.036 184 HA LYS 34 HA LYS 34 -9.679 -1.256 -3.057 185 HB3 LYS 34 2HB LYS 34 -6.941 -2.420 -2.451 186 HG3 LYS 34 2HG LYS 34 -7.887 -0.039 -4.106 187 HD3 LYS 34 2HD LYS 34 -5.051 -1.019 -3.642 188 HE3 LYS 34 2HE LYS 34 -6.303 0.776 -5.760 189 HZ1 LYS 34 3HZ LYS 34 -4.496 2.027 -4.910 190 HZ2 LYS 34 1HZ LYS 34 -4.045 1.470 -6.344 191 HZ3 LYS 34 2HZ LYS 34 -3.408 0.784 -5.027 192 H GLY 35 H GLY 35 -9.888 -2.196 -5.075 193 HA2 GLY 35 2HA GLY 35 -10.533 -4.970 -5.319 194 HA3 GLY 35 3HA GLY 35 -10.345 -3.822 -6.659 195 H VAL 36 H VAL 36 -8.366 -5.553 -4.281 196 HA VAL 36 HA VAL 36 -6.062 -5.576 -6.128 197 HB VAL 36 HB VAL 36 -6.390 -5.833 -3.139 198 HG11 VAL 36 1HG1 VAL 36 -3.963 -6.093 -2.861 199 HG12 VAL 36 2HG1 VAL 36 -4.648 -7.521 -3.629 200 HG13 VAL 36 3HG1 VAL 36 -3.760 -6.333 -4.608 201 HG21 VAL 36 3HG2 VAL 36 -4.655 -4.023 -4.867 202 HG22 VAL 36 1HG2 VAL 36 -6.278 -3.600 -4.305 203 HG23 VAL 36 2HG2 VAL 36 -4.972 -3.855 -3.134 204 H ALA 37 H ALA 37 -5.297 -7.269 -7.083 205 HA ALA 37 HA ALA 37 -6.429 -9.973 -6.584 206 HB1 ALA 37 1HB ALA 37 -5.337 -10.501 -8.738 207 HB2 ALA 37 2HB ALA 37 -6.360 -9.059 -8.881 208 HB3 ALA 37 3HB ALA 37 -4.590 -8.892 -8.772 209 H GLU 38 H GLU 38 -3.448 -8.210 -5.972 210 HA GLU 38 HA GLU 38 -2.259 -10.415 -4.538 211 HB3 GLU 38 2HB GLU 38 -0.900 -9.530 -7.103 212 HG3 GLU 38 2HG GLU 38 -0.276 -11.788 -5.163 213 H ALA 39 H ALA 39 -1.095 -9.508 -2.839 214 HA ALA 39 HA ALA 39 0.533 -7.107 -3.350 215 HB1 ALA 39 1HB ALA 39 -0.508 -5.821 -1.513 216 HB2 ALA 39 2HB ALA 39 -1.643 -6.130 -2.834 217 HB3 ALA 39 3HB ALA 39 -1.751 -7.086 -1.335 218 H SER 40 H SER 40 2.099 -6.635 -1.852 219 HA SER 40 HA SER 40 2.710 -8.582 0.306 220 HB3 SER 40 2HB SER 40 4.772 -9.322 -0.678 221 HG SER 40 HG SER 40 3.024 -10.495 -1.555 222 H VAL 41 H VAL 41 4.258 -7.813 1.790 223 HA VAL 41 HA VAL 41 5.077 -4.932 1.509 224 HB VAL 41 HB VAL 41 5.126 -4.911 4.031 225 HG11 VAL 41 1HG1 VAL 41 3.306 -3.891 2.717 226 HG12 VAL 41 2HG1 VAL 41 2.410 -5.425 2.740 227 HG13 VAL 41 3HG1 VAL 41 2.715 -4.545 4.252 228 HG21 VAL 41 3HG2 VAL 41 5.124 -7.356 4.508 229 HG22 VAL 41 1HG2 VAL 41 3.771 -6.525 5.268 230 HG23 VAL 41 2HG2 VAL 41 3.488 -7.480 3.816 231 H THR 42 H THR 42 7.147 -4.395 1.675 232 HA THR 42 HA THR 42 9.194 -6.496 2.284 233 HB THR 42 HB THR 42 9.404 -3.897 0.716 234 HG1 THR 42 1HG THR 42 9.685 -5.391 -1.011 235 HG21 THR 42 3HG2 THR 42 11.426 -6.124 1.227 236 HG22 THR 42 1HG2 THR 42 11.556 -4.433 1.753 237 HG23 THR 42 2HG2 THR 42 11.630 -4.822 0.033 238 H VAL 43 H VAL 43 10.247 -6.272 4.156 239 HA VAL 43 HA VAL 43 9.481 -3.932 5.842 240 HB VAL 43 HB VAL 43 10.464 -6.664 6.739 241 HG11 VAL 43 1HG1 VAL 43 9.346 -6.055 8.883 242 HG12 VAL 43 2HG1 VAL 43 10.657 -4.940 8.505 243 HG13 VAL 43 3HG1 VAL 43 8.973 -4.445 8.229 244 HG21 VAL 43 3HG2 VAL 43 7.609 -5.655 6.340 245 HG22 VAL 43 1HG2 VAL 43 8.382 -7.020 5.505 246 HG23 VAL 43 2HG2 VAL 43 8.037 -7.132 7.230 247 H ALA 44 H ALA 44 12.375 -5.651 4.684 248 HA ALA 44 HA ALA 44 14.302 -4.597 6.482 249 HB1 ALA 44 1HB ALA 44 15.904 -5.216 4.706 250 HB2 ALA 44 2HB ALA 44 14.689 -6.483 4.950 251 HB3 ALA 44 3HB ALA 44 14.571 -5.393 3.547 252 H THR 45 H THR 45 13.048 -3.192 3.471 253 HA THR 45 HA THR 45 14.434 -0.588 3.972 254 HB THR 45 HB THR 45 13.859 -0.215 1.536 255 HG1 THR 45 1HG THR 45 13.470 -2.417 0.516 256 HG21 THR 45 3HG2 THR 45 15.631 -1.633 0.659 257 HG22 THR 45 1HG2 THR 45 15.549 -2.696 2.083 258 HG23 THR 45 2HG2 THR 45 16.104 -1.020 2.250 259 H GLY 46 H GLY 46 11.294 -2.071 4.009 260 HA2 GLY 46 2HA GLY 46 9.263 -1.210 4.688 261 HA3 GLY 46 3HA GLY 46 10.039 0.369 4.939 262 H ARG 47 H ARG 47 8.739 -1.782 2.413 263 HA ARG 47 HA ARG 47 7.506 0.456 0.999 264 HB3 ARG 47 2HB ARG 47 9.703 0.678 0.074 265 HG3 ARG 47 2HG ARG 47 9.473 -2.220 -0.850 266 HD3 ARG 47 2HD ARG 47 10.568 -0.774 -2.512 267 HE ARG 47 HE ARG 47 11.878 0.487 -0.314 268 HH11 ARG 47 1HH1 ARG 47 12.728 -0.649 -3.575 269 HH12 ARG 47 2HH1 ARG 47 14.223 0.240 -3.567 270 HH21 ARG 47 1HH2 ARG 47 13.586 1.783 -0.489 271 HH22 ARG 47 2HH2 ARG 47 14.534 1.871 -1.962 272 H LEU 48 H LEU 48 6.156 -0.248 -0.828 273 HA LEU 48 HA LEU 48 4.864 -2.866 -0.113 274 HB3 LEU 48 2HB LEU 48 3.151 -0.878 -1.421 275 HG LEU 48 HG LEU 48 3.082 -1.939 1.430 276 HD11 LEU 48 1HD1 LEU 48 1.989 0.242 1.204 277 HD12 LEU 48 2HD1 LEU 48 0.754 -1.013 1.389 278 HD13 LEU 48 3HD1 LEU 48 1.081 -0.328 -0.212 279 HD21 LEU 48 3HD2 LEU 48 1.501 -2.752 -1.063 280 HD22 LEU 48 1HD2 LEU 48 1.137 -3.291 0.588 281 HD23 LEU 48 2HD2 LEU 48 2.657 -3.759 -0.165 282 H THR 49 H THR 49 3.835 -4.086 -1.724 283 HA THR 49 HA THR 49 4.112 -3.345 -4.623 284 HB THR 49 HB THR 49 4.317 -6.178 -3.503 285 HG1 THR 49 1HG THR 49 6.185 -5.120 -2.959 286 HG21 THR 49 3HG2 THR 49 3.451 -5.947 -5.845 287 HG22 THR 49 1HG2 THR 49 5.017 -6.740 -5.781 288 HG23 THR 49 2HG2 THR 49 4.914 -5.035 -6.278 289 H VAL 50 H VAL 50 2.177 -3.385 -5.599 290 HA VAL 50 HA VAL 50 -0.069 -4.987 -4.492 291 HB VAL 50 HB VAL 50 -0.127 -2.950 -3.193 292 HG11 VAL 50 1HG1 VAL 50 -0.364 -1.340 -5.765 293 HG12 VAL 50 2HG1 VAL 50 -0.436 -0.734 -4.098 294 HG13 VAL 50 3HG1 VAL 50 1.073 -1.398 -4.718 295 HG21 VAL 50 3HG2 VAL 50 -2.389 -2.159 -3.627 296 HG22 VAL 50 1HG2 VAL 50 -2.367 -2.870 -5.249 297 HG23 VAL 50 2HG2 VAL 50 -2.297 -3.921 -3.817 298 H THR 51 H THR 51 -1.435 -5.728 -5.970 299 HA THR 51 HA THR 51 -1.351 -4.697 -8.779 300 HB THR 51 HB THR 51 -1.843 -7.541 -7.764 301 HG1 THR 51 1HG THR 51 0.306 -7.135 -7.730 302 HG21 THR 51 3HG2 THR 51 -1.651 -6.433 -10.631 303 HG22 THR 51 1HG2 THR 51 -3.138 -7.013 -9.870 304 HG23 THR 51 2HG2 THR 51 -1.814 -8.134 -10.178 305 H TYR 52 H TYR 52 -3.190 -3.786 -9.460 306 HA TYR 52 HA TYR 52 -5.797 -4.504 -8.215 307 HB3 TYR 52 2HB TYR 52 -4.664 -2.847 -6.766 308 HD1 TYR 52 2HD TYR 52 -2.451 -1.931 -7.449 309 HD2 TYR 52 1HD TYR 52 -6.139 -0.408 -9.102 310 HE1 TYR 52 2HE TYR 52 -1.240 0.018 -8.362 311 HE2 TYR 52 1HE TYR 52 -4.914 1.512 -10.057 312 HH TYR 52 HH TYR 52 -2.895 2.519 -10.350 313 H ASP 53 H ASP 53 -7.626 -3.077 -9.048 314 HA ASP 53 HA ASP 53 -7.556 -2.880 -11.991 315 HB3 ASP 53 2HB ASP 53 -9.794 -3.112 -9.949 316 HA PRO 54 HA PRO 54 -7.375 1.574 -10.919 317 HB3 PRO 54 2HB PRO 54 -5.492 1.575 -12.292 318 HG3 PRO 54 2HG PRO 54 -5.468 0.371 -14.371 319 HD3 PRO 54 2HD PRO 54 -5.856 -1.182 -12.628 320 H LYS 55 H LYS 55 -9.924 0.125 -11.970 321 HA LYS 55 HA LYS 55 -11.343 2.570 -13.036 322 HB3 LYS 55 2HB LYS 55 -12.811 0.989 -14.317 323 HG3 LYS 55 2HG LYS 55 -9.880 0.953 -15.160 324 HD3 LYS 55 2HD LYS 55 -12.465 0.870 -16.785 325 HE3 LYS 55 2HE LYS 55 -9.519 0.827 -17.583 326 HZ1 LYS 55 3HZ LYS 55 -11.928 0.656 -19.312 327 HZ2 LYS 55 1HZ LYS 55 -10.914 -0.580 -18.987 328 HZ3 LYS 55 2HZ LYS 55 -10.367 0.730 -19.814 329 H GLN 56 H GLN 56 -11.525 -0.387 -11.114 330 HA GLN 56 HA GLN 56 -13.777 0.562 -9.504 331 HB3 GLN 56 2HB GLN 56 -12.625 -0.926 -7.765 332 HG3 GLN 56 2HG GLN 56 -13.364 -2.140 -10.460 333 HE21 GLN 56 1HE2 GLN 56 -13.458 -2.853 -6.897 334 HE22 GLN 56 2HE2 GLN 56 -13.168 -4.567 -7.109 335 H VAL 57 H VAL 57 -10.143 0.761 -9.003 336 HA VAL 57 HA VAL 57 -10.474 3.220 -7.403 337 HB VAL 57 HB VAL 57 -9.598 2.109 -5.299 338 HG11 VAL 57 1HG1 VAL 57 -11.963 2.845 -5.506 339 HG12 VAL 57 2HG1 VAL 57 -12.398 1.186 -5.991 340 HG13 VAL 57 3HG1 VAL 57 -11.701 1.492 -4.394 341 HG21 VAL 57 3HG2 VAL 57 -10.002 -0.272 -4.962 342 HG22 VAL 57 1HG2 VAL 57 -10.569 -0.472 -6.618 343 HG23 VAL 57 2HG2 VAL 57 -8.873 -0.045 -6.312 344 H SER 58 H SER 58 -8.319 3.712 -6.121 345 HA SER 58 HA SER 58 -5.951 2.952 -7.735 346 HB3 SER 58 2HB SER 58 -5.723 5.533 -8.245 347 HG SER 58 HG SER 58 -7.554 4.682 -9.989 348 H GLU 59 H GLU 59 -4.806 5.682 -6.741 349 HA GLU 59 HA GLU 59 -3.420 4.529 -4.590 350 HB3 GLU 59 2HB GLU 59 -3.808 7.498 -5.107 351 HG3 GLU 59 2HG GLU 59 -1.190 6.163 -4.414 352 H ILE 60 H ILE 60 -6.329 6.566 -4.627 353 HA ILE 60 HA ILE 60 -6.199 7.564 -2.004 354 HB ILE 60 HB ILE 60 -8.237 7.300 -4.142 355 HG13 ILE 60 2HG1 ILE 60 -8.413 9.644 -3.893 356 HG21 ILE 60 1HG2 ILE 60 -10.121 8.124 -2.767 357 HG22 ILE 60 2HG2 ILE 60 -9.697 6.438 -2.476 358 HG23 ILE 60 3HG2 ILE 60 -9.211 7.689 -1.299 359 HD11 ILE 60 3HD1 ILE 60 -8.490 9.974 -1.444 360 HD12 ILE 60 1HD1 ILE 60 -6.786 9.502 -1.308 361 HD13 ILE 60 2HD1 ILE 60 -7.231 10.971 -2.189 362 H THR 61 H THR 61 -7.817 4.518 -3.015 363 HA THR 61 HA THR 61 -8.803 3.991 -0.373 364 HB THR 61 HB THR 61 -8.198 2.183 -2.732 365 HG1 THR 61 1HG THR 61 -10.491 3.472 -1.641 366 HG21 THR 61 3HG2 THR 61 -8.353 0.755 -0.692 367 HG22 THR 61 1HG2 THR 61 -9.833 0.597 -1.656 368 HG23 THR 61 2HG2 THR 61 -9.824 1.600 -0.190 369 H ILE 62 H ILE 62 -5.583 3.479 -1.647 370 HA ILE 62 HA ILE 62 -4.823 1.913 0.797 371 HB ILE 62 HB ILE 62 -4.299 0.943 -1.344 372 HG13 ILE 62 2HG1 ILE 62 -2.896 0.523 0.687 373 HG21 ILE 62 1HG2 ILE 62 -2.479 3.318 -1.855 374 HG22 ILE 62 2HG2 ILE 62 -2.514 1.819 -2.813 375 HG23 ILE 62 3HG2 ILE 62 -3.931 2.844 -2.776 376 HD11 ILE 62 3HD1 ILE 62 -1.339 0.169 -1.925 377 HD12 ILE 62 1HD1 ILE 62 -1.272 -0.826 -0.453 378 HD13 ILE 62 2HD1 ILE 62 -2.720 -0.840 -1.464 379 H GLN 63 H GLN 63 -4.464 5.085 -0.641 380 HA GLN 63 HA GLN 63 -2.608 6.225 1.193 381 HB3 GLN 63 2HB GLN 63 -5.046 7.581 -0.019 382 HG3 GLN 63 2HG GLN 63 -2.279 8.762 0.307 383 HE21 GLN 63 1HE2 GLN 63 -3.232 9.600 -1.972 384 HE22 GLN 63 2HE2 GLN 63 -4.278 11.006 -1.813 385 H GLU 64 H GLU 64 -6.216 6.007 1.390 386 HA GLU 64 HA GLU 64 -6.558 7.252 3.909 387 HB3 GLU 64 2HB GLU 64 -8.639 5.819 4.050 388 HG3 GLU 64 2HG GLU 64 -8.335 7.111 1.313 389 H ARG 65 H ARG 65 -5.704 3.875 3.248 390 HA ARG 65 HA ARG 65 -5.753 2.971 5.998 391 HB3 ARG 65 2HB ARG 65 -4.505 1.959 3.410 392 HG3 ARG 65 2HG ARG 65 -3.086 0.931 5.036 393 HD3 ARG 65 2HD ARG 65 -4.204 1.145 7.156 394 HE ARG 65 HE ARG 65 -6.583 0.721 6.154 395 HH11 ARG 65 1HH1 ARG 65 -4.921 -1.670 8.246 396 HH12 ARG 65 2HH1 ARG 65 -6.446 -2.086 8.985 397 HH21 ARG 65 1HH2 ARG 65 -8.331 0.124 7.075 398 HH22 ARG 65 2HH2 ARG 65 -8.364 -1.015 8.412 399 H ILE 66 H ILE 66 -3.032 3.950 3.840 400 HA ILE 66 HA ILE 66 -1.079 3.563 5.964 401 HB ILE 66 HB ILE 66 -0.951 4.859 3.220 402 HG13 ILE 66 2HG1 ILE 66 -1.385 2.291 3.578 403 HG21 ILE 66 1HG2 ILE 66 0.847 5.838 4.595 404 HG22 ILE 66 2HG2 ILE 66 1.333 4.212 5.141 405 HG23 ILE 66 3HG2 ILE 66 1.529 4.699 3.443 406 HD11 ILE 66 3HD1 ILE 66 1.076 3.027 1.961 407 HD12 ILE 66 1HD1 ILE 66 0.078 1.564 1.829 408 HD13 ILE 66 2HD1 ILE 66 -0.622 3.128 1.418 409 H ALA 67 H ALA 67 -2.859 6.443 4.907 410 HA ALA 67 HA ALA 67 -1.431 8.319 6.547 411 HB1 ALA 67 1HB ALA 67 -4.324 8.296 5.536 412 HB2 ALA 67 2HB ALA 67 -3.472 9.705 6.196 413 HB3 ALA 67 3HB ALA 67 -2.928 8.968 4.679 414 H ALA 68 H ALA 68 -4.312 6.259 7.144 415 HA ALA 68 HA ALA 68 -4.924 7.330 9.738 416 HB1 ALA 68 1HB ALA 68 -6.481 5.404 9.819 417 HB2 ALA 68 2HB ALA 68 -6.577 6.266 8.270 418 HB3 ALA 68 3HB ALA 68 -5.711 4.716 8.372 419 H LEU 69 H LEU 69 -2.884 4.571 8.734 420 HA LEU 69 HA LEU 69 -2.301 3.653 11.430 421 HB3 LEU 69 2HB LEU 69 -0.378 2.515 10.259 422 HG LEU 69 HG LEU 69 -3.145 2.182 9.011 423 HD11 LEU 69 1HD1 LEU 69 -2.283 -0.053 8.336 424 HD12 LEU 69 2HD1 LEU 69 -0.674 0.414 8.918 425 HD13 LEU 69 3HD1 LEU 69 -1.415 1.278 7.548 426 HD21 LEU 69 3HD2 LEU 69 -1.781 0.647 11.260 427 HD22 LEU 69 1HD2 LEU 69 -3.331 0.222 10.503 428 HD23 LEU 69 2HD2 LEU 69 -3.194 1.710 11.430 429 H GLY 70 H GLY 70 -1.365 6.547 9.928 430 HA2 GLY 70 2HA GLY 70 -0.436 8.234 11.350 431 HA3 GLY 70 3HA GLY 70 0.680 7.043 12.051 432 H TYR 71 H TYR 71 0.549 6.670 8.681 433 HA TYR 71 HA TYR 71 3.181 8.073 8.413 434 HB3 TYR 71 2HB TYR 71 3.833 6.222 7.019 435 HD1 TYR 71 1HD TYR 71 4.935 6.528 9.427 436 HD2 TYR 71 2HD TYR 71 1.620 3.902 8.603 437 HE1 TYR 71 1HE TYR 71 5.489 5.206 11.447 438 HE2 TYR 71 2HE TYR 71 2.129 2.620 10.674 439 HH TYR 71 HH TYR 71 3.506 2.413 12.523 440 H THR 72 H THR 72 3.388 7.589 5.591 441 HA THR 72 HA THR 72 1.144 8.483 4.056 442 HB THR 72 HB THR 72 3.201 10.578 4.818 443 HG1 THR 72 1HG THR 72 1.017 10.287 5.651 444 HG21 THR 72 3HG2 THR 72 3.349 10.666 2.385 445 HG22 THR 72 1HG2 THR 72 2.369 12.011 2.958 446 HG23 THR 72 2HG2 THR 72 1.576 10.597 2.231 447 H LEU 73 H LEU 73 1.545 8.222 1.858 448 HA LEU 73 HA LEU 73 4.004 6.683 1.199 449 HB3 LEU 73 2HB LEU 73 1.869 5.497 1.249 450 HG LEU 73 HG LEU 73 0.435 7.494 0.279 451 HD11 LEU 73 1HD1 LEU 73 1.459 7.896 -1.864 452 HD12 LEU 73 2HD1 LEU 73 -0.060 7.096 -2.174 453 HD13 LEU 73 3HD1 LEU 73 1.438 6.159 -2.279 454 HD21 LEU 73 3HD2 LEU 73 -1.214 5.866 -0.608 455 HD22 LEU 73 1HD2 LEU 73 -0.500 5.357 0.930 456 HD23 LEU 73 2HD2 LEU 73 0.032 4.609 -0.592 457 H ALA 74 H ALA 74 4.530 6.574 -1.153 458 HA ALA 74 HA ALA 74 3.326 8.598 -2.849 459 HB1 ALA 74 1HB ALA 74 6.363 8.516 -2.791 460 HB2 ALA 74 2HB ALA 74 5.345 9.456 -3.889 461 HB3 ALA 74 3HB ALA 74 5.354 9.827 -2.158 462 H GLU 75 H GLU 75 2.966 7.897 -4.859 463 HA GLU 75 HA GLU 75 3.687 5.087 -5.550 464 HB3 GLU 75 2HB GLU 75 1.249 6.743 -6.310 465 HG3 GLU 75 2HG GLU 75 1.669 3.725 -6.370 466 HA PRO 76 HA PRO 76 5.657 7.843 -8.601 467 HB3 PRO 76 2HB PRO 76 7.626 7.395 -7.429 468 HG3 PRO 76 2HG PRO 76 8.131 5.167 -6.678 469 HD3 PRO 76 2HD PRO 76 6.094 5.752 -5.703 Start of MODEL 13 1 H2 PRO 6 2H PRO 6 -7.362 -2.667 -17.346 2 HA PRO 6 HA PRO 6 -7.043 -5.507 -16.878 3 HB3 PRO 6 2HB PRO 6 -4.847 -5.600 -17.840 4 HG3 PRO 6 2HG PRO 6 -6.664 -5.838 -19.383 5 HD3 PRO 6 2HD PRO 6 -8.349 -4.258 -19.471 6 H LEU 7 H LEU 7 -5.737 -6.009 -15.026 7 HA LEU 7 HA LEU 7 -5.334 -3.753 -13.165 8 HB3 LEU 7 2HB LEU 7 -6.535 -5.845 -12.438 9 HG LEU 7 HG LEU 7 -3.733 -7.025 -12.168 10 HD11 LEU 7 1HD1 LEU 7 -4.885 -8.854 -11.037 11 HD12 LEU 7 2HD1 LEU 7 -6.472 -8.133 -11.386 12 HD13 LEU 7 3HD1 LEU 7 -5.361 -7.331 -10.264 13 HD21 LEU 7 3HD2 LEU 7 -4.606 -8.951 -13.496 14 HD22 LEU 7 1HD2 LEU 7 -4.469 -7.472 -14.455 15 HD23 LEU 7 2HD2 LEU 7 -6.064 -8.004 -13.858 16 H LYS 8 H LYS 8 -3.291 -3.637 -11.994 17 HA LYS 8 HA LYS 8 -0.925 -4.367 -13.658 18 HB3 LYS 8 2HB LYS 8 -1.596 -2.220 -14.479 19 HG3 LYS 8 2HG LYS 8 -1.524 -1.162 -11.620 20 HD3 LYS 8 2HD LYS 8 -2.315 0.257 -14.196 21 HE3 LYS 8 2HE LYS 8 -1.770 1.210 -11.346 22 HZ1 LYS 8 3HZ LYS 8 -2.801 2.754 -13.660 23 HZ2 LYS 8 1HZ LYS 8 -1.261 2.827 -13.119 24 HZ3 LYS 8 2HZ LYS 8 -2.467 3.351 -12.158 25 H THR 9 H THR 9 0.879 -4.874 -12.571 26 HA THR 9 HA THR 9 0.934 -4.644 -9.609 27 HB THR 9 HB THR 9 1.649 -6.751 -10.495 28 HG1 THR 9 1HG THR 9 4.040 -5.542 -9.694 29 HG21 THR 9 3HG2 THR 9 2.581 -6.245 -12.675 30 HG22 THR 9 1HG2 THR 9 3.832 -6.975 -11.672 31 HG23 THR 9 2HG2 THR 9 3.851 -5.227 -11.963 32 H GLN 10 H GLN 10 2.411 -3.344 -8.460 33 HA GLN 10 HA GLN 10 4.504 -1.897 -9.756 34 HB3 GLN 10 2HB GLN 10 2.533 -0.470 -10.486 35 HG3 GLN 10 2HG GLN 10 2.278 0.031 -7.473 36 HE21 GLN 10 1HE2 GLN 10 3.348 2.225 -7.930 37 HE22 GLN 10 2HE2 GLN 10 2.347 3.452 -8.710 38 H GLN 11 H GLN 11 5.399 -0.190 -8.210 39 HA GLN 11 HA GLN 11 5.158 -1.072 -5.375 40 HB3 GLN 11 2HB GLN 11 7.534 -0.364 -5.142 41 HG3 GLN 11 2HG GLN 11 6.899 -2.801 -5.740 42 HE21 GLN 11 1HE2 GLN 11 9.277 -1.481 -8.141 43 HE22 GLN 11 2HE2 GLN 11 8.656 -2.446 -9.477 44 H MET 12 H MET 12 6.044 0.671 -3.894 45 HA MET 12 HA MET 12 6.050 3.408 -4.777 46 HB3 MET 12 2HB MET 12 3.666 3.322 -4.495 47 HG3 MET 12 2HG MET 12 2.963 2.954 -1.898 48 HE1 MET 12 3HE MET 12 1.526 2.800 -4.730 49 HE2 MET 12 1HE MET 12 0.346 1.532 -4.375 50 HE3 MET 12 2HE MET 12 0.713 2.757 -3.143 51 H GLN 13 H GLN 13 6.811 4.879 -3.194 52 HA GLN 13 HA GLN 13 8.293 3.704 -0.916 53 HB3 GLN 13 2HB GLN 13 9.001 6.141 -0.615 54 HG3 GLN 13 2HG GLN 13 10.515 4.499 -1.669 55 HE21 GLN 13 1HE2 GLN 13 9.289 6.568 -4.447 56 HE22 GLN 13 2HE2 GLN 13 9.573 5.250 -5.585 57 H VAL 14 H VAL 14 7.849 4.355 1.196 58 HA VAL 14 HA VAL 14 5.330 5.678 1.905 59 HB VAL 14 HB VAL 14 5.641 2.646 2.032 60 HG11 VAL 14 1HG1 VAL 14 3.471 2.647 3.359 61 HG12 VAL 14 2HG1 VAL 14 4.870 3.207 4.265 62 HG13 VAL 14 3HG1 VAL 14 3.707 4.387 3.621 63 HG21 VAL 14 3HG2 VAL 14 4.550 3.312 0.021 64 HG22 VAL 14 1HG2 VAL 14 3.322 2.678 1.094 65 HG23 VAL 14 2HG2 VAL 14 3.478 4.435 0.898 66 H GLY 15 H GLY 15 5.174 6.005 4.160 67 HA2 GLY 15 2HA GLY 15 7.623 6.401 5.596 68 HA3 GLY 15 3HA GLY 15 5.986 6.561 6.243 69 H GLY 16 H GLY 16 6.789 5.732 8.221 70 HA2 GLY 16 2HA GLY 16 8.599 3.618 8.466 71 HA3 GLY 16 3HA GLY 16 7.689 4.355 9.790 72 H MET 17 H MET 17 6.087 2.444 7.241 73 HA MET 17 HA MET 17 4.777 0.713 9.072 74 HB3 MET 17 2HB MET 17 3.960 1.194 6.805 75 HG3 MET 17 2HG MET 17 6.177 -0.673 5.848 76 HE1 MET 17 3HE MET 17 6.598 -0.849 3.196 77 HE2 MET 17 1HE MET 17 5.532 -0.053 2.016 78 HE3 MET 17 2HE MET 17 6.480 0.918 3.164 79 H ARG 18 H ARG 18 8.066 0.413 7.939 80 HA ARG 18 HA ARG 18 8.416 -2.365 8.408 81 HB3 ARG 18 2HB ARG 18 10.040 -0.941 7.216 82 HG3 ARG 18 2HG ARG 18 10.811 0.110 9.979 83 HD3 ARG 18 2HD ARG 18 11.860 0.761 7.200 84 HE ARG 18 HE ARG 18 11.811 2.392 9.510 85 HH11 ARG 18 1HH1 ARG 18 14.312 1.224 7.237 86 HH12 ARG 18 2HH1 ARG 18 15.273 2.676 7.510 87 HH21 ARG 18 1HH2 ARG 18 13.187 4.231 9.696 88 HH22 ARG 18 2HH2 ARG 18 14.674 4.233 8.754 89 H CYS 19 H CYS 19 7.691 0.009 10.766 90 HA CYS 19 HA CYS 19 8.886 -1.016 13.122 91 HB3 CYS 19 2HB CYS 19 6.775 -0.069 14.198 92 HG CYS 19 HG CYS 19 8.014 1.910 11.846 93 H ALA 20 H ALA 20 8.025 -2.377 14.792 94 HA ALA 20 HA ALA 20 7.619 -4.981 13.952 95 HB1 ALA 20 1HB ALA 20 6.895 -3.744 16.639 96 HB2 ALA 20 2HB ALA 20 7.154 -5.473 16.330 97 HB3 ALA 20 3HB ALA 20 8.500 -4.332 16.148 98 H ALA 21 H ALA 21 6.047 -5.971 12.964 99 HA ALA 21 HA ALA 21 4.116 -6.701 12.178 100 HB1 ALA 21 1HB ALA 21 2.805 -5.736 14.741 101 HB2 ALA 21 2HB ALA 21 2.265 -7.034 13.666 102 HB3 ALA 21 3HB ALA 21 3.757 -7.231 14.598 103 H CYS 22 H CYS 22 4.515 -3.367 12.374 104 HA CYS 22 HA CYS 22 1.877 -2.495 11.654 105 HB3 CYS 22 2HB CYS 22 3.066 -0.400 10.951 106 HG CYS 22 HG CYS 22 3.713 0.530 13.184 107 H ALA 23 H ALA 23 4.556 -3.621 9.607 108 HA ALA 23 HA ALA 23 3.552 -3.336 7.042 109 HB1 ALA 23 1HB ALA 23 4.824 -5.776 8.373 110 HB2 ALA 23 2HB ALA 23 4.780 -5.450 6.634 111 HB3 ALA 23 3HB ALA 23 5.687 -4.369 7.717 112 H SER 24 H SER 24 2.334 -5.598 9.579 113 HA SER 24 HA SER 24 0.581 -7.026 7.721 114 HB3 SER 24 2HB SER 24 -0.120 -8.253 9.643 115 HG SER 24 HG SER 24 2.124 -8.477 8.949 116 H SER 25 H SER 25 0.249 -4.272 9.906 117 HA SER 25 HA SER 25 -2.641 -4.025 9.727 118 HB3 SER 25 2HB SER 25 -2.319 -1.896 10.784 119 HG SER 25 HG SER 25 -0.955 -2.368 12.532 120 H ILE 26 H ILE 26 -0.021 -3.147 7.642 121 HA ILE 26 HA ILE 26 -1.886 -1.803 5.741 122 HB ILE 26 HB ILE 26 1.002 -2.712 5.424 123 HG13 ILE 26 2HG1 ILE 26 1.561 -0.276 5.468 124 HG21 ILE 26 1HG2 ILE 26 -0.709 -1.017 3.570 125 HG22 ILE 26 2HG2 ILE 26 1.041 -1.313 3.420 126 HG23 ILE 26 3HG2 ILE 26 -0.091 -2.654 3.258 127 HD11 ILE 26 3HD1 ILE 26 0.108 1.299 6.606 128 HD12 ILE 26 1HD1 ILE 26 -0.753 0.697 5.182 129 HD13 ILE 26 2HD1 ILE 26 -1.156 0.061 6.805 130 H GLU 27 H GLU 27 0.038 -4.827 5.776 131 HA GLU 27 HA GLU 27 -0.925 -5.564 3.238 132 HB3 GLU 27 2HB GLU 27 0.457 -7.330 5.298 133 HG3 GLU 27 2HG GLU 27 0.500 -7.341 2.242 134 H ARG 28 H ARG 28 -2.087 -6.667 6.450 135 HA ARG 28 HA ARG 28 -3.783 -8.753 5.239 136 HB3 ARG 28 2HB ARG 28 -3.795 -7.677 8.085 137 HG3 ARG 28 2HG ARG 28 -4.681 -10.356 6.908 138 HD3 ARG 28 2HD ARG 28 -5.633 -10.799 9.114 139 HE ARG 28 HE ARG 28 -3.458 -11.685 9.051 140 HH11 ARG 28 1HH1 ARG 28 -3.447 -8.452 10.617 141 HH12 ARG 28 2HH1 ARG 28 -1.925 -8.805 11.400 142 HH21 ARG 28 1HH2 ARG 28 -1.449 -11.892 9.890 143 HH22 ARG 28 2HH2 ARG 28 -0.806 -10.724 11.017 144 H ALA 29 H ALA 29 -4.341 -5.577 6.868 145 HA ALA 29 HA ALA 29 -7.156 -5.504 6.429 146 HB1 ALA 29 1HB ALA 29 -5.151 -3.242 6.672 147 HB2 ALA 29 2HB ALA 29 -6.924 -3.074 6.768 148 HB3 ALA 29 3HB ALA 29 -6.053 -4.012 8.004 149 H LEU 30 H LEU 30 -4.486 -4.587 4.222 150 HA LEU 30 HA LEU 30 -6.003 -3.453 2.134 151 HB3 LEU 30 2HB LEU 30 -3.461 -5.116 2.195 152 HG LEU 30 HG LEU 30 -3.992 -4.949 -0.156 153 HD11 LEU 30 1HD1 LEU 30 -4.376 -1.961 0.373 154 HD12 LEU 30 2HD1 LEU 30 -5.567 -3.106 -0.307 155 HD13 LEU 30 3HD1 LEU 30 -4.143 -2.653 -1.243 156 HD21 LEU 30 3HD2 LEU 30 -1.659 -4.586 0.624 157 HD22 LEU 30 1HD2 LEU 30 -1.954 -2.839 0.707 158 HD23 LEU 30 2HD2 LEU 30 -1.994 -3.669 -0.860 159 H GLU 31 H GLU 31 -6.011 -6.847 3.146 160 HA GLU 31 HA GLU 31 -7.447 -7.670 0.698 161 HB3 GLU 31 2HB GLU 31 -7.699 -9.808 1.762 162 HG3 GLU 31 2HG GLU 31 -4.876 -8.847 2.318 163 H ARG 32 H ARG 32 -8.210 -6.599 4.002 164 HA ARG 32 HA ARG 32 -11.055 -7.198 3.910 165 HB3 ARG 32 2HB ARG 32 -11.185 -5.888 5.950 166 HG3 ARG 32 2HG ARG 32 -9.379 -6.773 7.412 167 HD3 ARG 32 2HD ARG 32 -10.681 -8.847 5.599 168 HE ARG 32 HE ARG 32 -9.903 -9.405 8.405 169 HH11 ARG 32 1HH1 ARG 32 -9.241 -10.073 4.993 170 HH12 ARG 32 2HH1 ARG 32 -8.038 -11.258 5.359 171 HH21 ARG 32 1HH2 ARG 32 -8.250 -10.941 8.800 172 HH22 ARG 32 2HH2 ARG 32 -7.514 -11.753 7.426 173 H LEU 33 H LEU 33 -9.012 -4.660 2.669 174 HA LEU 33 HA LEU 33 -11.106 -2.746 2.154 175 HB3 LEU 33 2HB LEU 33 -9.562 -1.869 0.383 176 HG LEU 33 HG LEU 33 -8.008 -2.432 2.929 177 HD11 LEU 33 1HD1 LEU 33 -6.686 -0.510 2.282 178 HD12 LEU 33 2HD1 LEU 33 -7.731 -0.220 0.875 179 HD13 LEU 33 3HD1 LEU 33 -6.705 -1.655 0.935 180 HD21 LEU 33 3HD2 LEU 33 -9.795 -0.067 2.245 181 HD22 LEU 33 1HD2 LEU 33 -8.698 -0.181 3.635 182 HD23 LEU 33 2HD2 LEU 33 -10.088 -1.271 3.533 183 H LYS 34 H LYS 34 -10.456 -5.797 0.632 184 HA LYS 34 HA LYS 34 -11.393 -6.948 -1.054 185 HB3 LYS 34 2HB LYS 34 -13.709 -6.363 -1.761 186 HG3 LYS 34 2HG LYS 34 -13.293 -6.323 1.261 187 HD3 LYS 34 2HD LYS 34 -15.629 -7.112 -0.530 188 HE3 LYS 34 2HE LYS 34 -15.326 -7.345 2.491 189 HZ1 LYS 34 3HZ LYS 34 -17.622 -8.089 2.383 190 HZ2 LYS 34 1HZ LYS 34 -17.702 -7.803 0.761 191 HZ3 LYS 34 2HZ LYS 34 -17.509 -6.558 1.809 192 H GLY 35 H GLY 35 -10.203 -3.926 -1.796 193 HA2 GLY 35 2HA GLY 35 -10.980 -3.961 -4.655 194 HA3 GLY 35 3HA GLY 35 -10.246 -2.618 -3.780 195 H VAL 36 H VAL 36 -8.296 -5.381 -3.205 196 HA VAL 36 HA VAL 36 -6.789 -4.940 -5.753 197 HB VAL 36 HB VAL 36 -4.681 -4.838 -4.769 198 HG11 VAL 36 1HG1 VAL 36 -6.362 -2.974 -3.054 199 HG12 VAL 36 2HG1 VAL 36 -4.682 -2.754 -3.579 200 HG13 VAL 36 3HG1 VAL 36 -5.990 -2.696 -4.767 201 HG21 VAL 36 3HG2 VAL 36 -4.911 -6.431 -2.900 202 HG22 VAL 36 1HG2 VAL 36 -4.135 -4.924 -2.433 203 HG23 VAL 36 2HG2 VAL 36 -5.834 -5.210 -1.993 204 H ALA 37 H ALA 37 -5.389 -6.608 -6.424 205 HA ALA 37 HA ALA 37 -6.611 -9.247 -5.935 206 HB1 ALA 37 1HB ALA 37 -6.330 -8.390 -8.218 207 HB2 ALA 37 2HB ALA 37 -4.570 -8.273 -7.982 208 HB3 ALA 37 3HB ALA 37 -5.369 -9.860 -7.978 209 H GLU 38 H GLU 38 -3.320 -7.801 -5.706 210 HA GLU 38 HA GLU 38 -2.466 -9.931 -3.880 211 HB3 GLU 38 2HB GLU 38 -0.376 -10.323 -5.161 212 HG3 GLU 38 2HG GLU 38 -2.788 -11.092 -6.847 213 H ALA 39 H ALA 39 -0.772 -9.244 -2.481 214 HA ALA 39 HA ALA 39 0.725 -6.823 -3.004 215 HB1 ALA 39 1HB ALA 39 -0.264 -5.404 -1.289 216 HB2 ALA 39 2HB ALA 39 -1.502 -5.846 -2.478 217 HB3 ALA 39 3HB ALA 39 -1.472 -6.658 -0.901 218 H SER 40 H SER 40 2.401 -6.433 -1.640 219 HA SER 40 HA SER 40 2.816 -8.065 0.804 220 HB3 SER 40 2HB SER 40 4.608 -8.254 -1.638 221 HG SER 40 HG SER 40 4.752 -9.711 0.837 222 H VAL 41 H VAL 41 3.917 -6.922 2.329 223 HA VAL 41 HA VAL 41 5.246 -4.358 1.572 224 HB VAL 41 HB VAL 41 4.634 -5.565 4.313 225 HG11 VAL 41 1HG1 VAL 41 6.647 -4.193 4.506 226 HG12 VAL 41 2HG1 VAL 41 5.905 -2.909 3.535 227 HG13 VAL 41 3HG1 VAL 41 5.283 -3.280 5.157 228 HG21 VAL 41 3HG2 VAL 41 3.424 -3.158 2.882 229 HG22 VAL 41 1HG2 VAL 41 2.626 -4.729 3.065 230 HG23 VAL 41 2HG2 VAL 41 2.997 -3.753 4.494 231 H THR 42 H THR 42 7.404 -4.183 1.375 232 HA THR 42 HA THR 42 9.177 -6.440 2.178 233 HB THR 42 HB THR 42 9.860 -3.961 0.549 234 HG1 THR 42 1HG THR 42 10.004 -5.792 -1.052 235 HG21 THR 42 3HG2 THR 42 11.786 -5.020 1.742 236 HG22 THR 42 1HG2 THR 42 11.890 -5.261 0.003 237 HG23 THR 42 2HG2 THR 42 11.345 -6.597 1.046 238 H VAL 43 H VAL 43 9.662 -6.315 4.231 239 HA VAL 43 HA VAL 43 9.463 -3.821 5.760 240 HB VAL 43 HB VAL 43 10.048 -6.697 6.557 241 HG11 VAL 43 1HG1 VAL 43 9.544 -4.300 8.375 242 HG12 VAL 43 2HG1 VAL 43 9.526 -6.000 8.889 243 HG13 VAL 43 3HG1 VAL 43 11.025 -5.283 8.301 244 HG21 VAL 43 3HG2 VAL 43 7.771 -6.344 5.711 245 HG22 VAL 43 1HG2 VAL 43 7.691 -6.504 7.471 246 HG23 VAL 43 2HG2 VAL 43 7.601 -4.893 6.719 247 H ALA 44 H ALA 44 12.108 -5.894 4.600 248 HA ALA 44 HA ALA 44 14.221 -4.814 6.199 249 HB1 ALA 44 1HB ALA 44 14.386 -6.912 4.899 250 HB2 ALA 44 2HB ALA 44 14.280 -5.996 3.376 251 HB3 ALA 44 3HB ALA 44 15.676 -5.786 4.452 252 H THR 45 H THR 45 12.832 -3.688 3.096 253 HA THR 45 HA THR 45 14.655 -1.347 3.003 254 HB THR 45 HB THR 45 13.508 -0.886 0.861 255 HG1 THR 45 1HG THR 45 12.189 -2.673 0.070 256 HG21 THR 45 3HG2 THR 45 14.481 -2.708 -0.409 257 HG22 THR 45 1HG2 THR 45 14.555 -3.743 1.034 258 HG23 THR 45 2HG2 THR 45 15.564 -2.284 0.919 259 H GLY 46 H GLY 46 11.178 -2.082 3.456 260 HA2 GLY 46 2HA GLY 46 9.595 -0.791 4.615 261 HA3 GLY 46 3HA GLY 46 10.687 0.613 4.605 262 H ARG 47 H ARG 47 9.394 -1.577 2.079 263 HA ARG 47 HA ARG 47 8.143 0.696 0.606 264 HB3 ARG 47 2HB ARG 47 9.173 0.148 -1.455 265 HG3 ARG 47 2HG ARG 47 11.402 -0.025 0.600 266 HD3 ARG 47 2HD ARG 47 11.765 -0.655 -1.980 267 HE ARG 47 HE ARG 47 11.059 1.518 -2.884 268 HH11 ARG 47 1HH1 ARG 47 14.406 1.286 -1.623 269 HH12 ARG 47 2HH1 ARG 47 14.924 2.551 -2.729 270 HH21 ARG 47 1HH2 ARG 47 11.854 3.218 -4.055 271 HH22 ARG 47 2HH2 ARG 47 13.568 3.602 -4.000 272 H LEU 48 H LEU 48 6.708 -0.151 -1.198 273 HA LEU 48 HA LEU 48 5.323 -2.660 -0.267 274 HB3 LEU 48 2HB LEU 48 3.583 -0.794 -1.644 275 HG LEU 48 HG LEU 48 3.702 -1.593 1.284 276 HD11 LEU 48 1HD1 LEU 48 1.316 -0.699 1.263 277 HD12 LEU 48 2HD1 LEU 48 1.667 0.004 -0.324 278 HD13 LEU 48 3HD1 LEU 48 2.581 0.526 1.106 279 HD21 LEU 48 3HD2 LEU 48 3.163 -3.519 -0.160 280 HD22 LEU 48 1HD2 LEU 48 1.922 -2.569 -1.008 281 HD23 LEU 48 2HD2 LEU 48 1.717 -3.003 0.703 282 H THR 49 H THR 49 4.178 -3.924 -1.802 283 HA THR 49 HA THR 49 4.422 -3.272 -4.706 284 HB THR 49 HB THR 49 4.661 -6.111 -3.637 285 HG1 THR 49 1HG THR 49 6.586 -5.438 -3.169 286 HG21 THR 49 3HG2 THR 49 5.422 -6.568 -5.953 287 HG22 THR 49 1HG2 THR 49 5.170 -4.861 -6.384 288 HG23 THR 49 2HG2 THR 49 3.789 -5.893 -5.949 289 H VAL 50 H VAL 50 2.494 -3.455 -5.712 290 HA VAL 50 HA VAL 50 0.254 -4.953 -4.473 291 HB VAL 50 HB VAL 50 0.204 -2.787 -3.342 292 HG11 VAL 50 1HG1 VAL 50 -0.304 -0.697 -4.494 293 HG12 VAL 50 2HG1 VAL 50 1.238 -1.343 -5.072 294 HG13 VAL 50 3HG1 VAL 50 -0.221 -1.495 -6.072 295 HG21 VAL 50 3HG2 VAL 50 -2.118 -2.207 -3.699 296 HG22 VAL 50 1HG2 VAL 50 -2.134 -2.996 -5.281 297 HG23 VAL 50 2HG2 VAL 50 -1.936 -3.966 -3.807 298 H THR 51 H THR 51 -1.357 -5.562 -5.834 299 HA THR 51 HA THR 51 -1.205 -4.848 -8.734 300 HB THR 51 HB THR 51 -1.979 -7.531 -7.496 301 HG1 THR 51 1HG THR 51 0.268 -7.143 -7.492 302 HG21 THR 51 3HG2 THR 51 -3.181 -7.002 -9.666 303 HG22 THR 51 1HG2 THR 51 -1.992 -8.290 -9.882 304 HG23 THR 51 2HG2 THR 51 -1.635 -6.644 -10.433 305 H TYR 52 H TYR 52 -2.968 -3.676 -9.330 306 HA TYR 52 HA TYR 52 -5.656 -4.311 -8.238 307 HB3 TYR 52 2HB TYR 52 -4.552 -2.747 -6.645 308 HD1 TYR 52 1HD TYR 52 -2.314 -1.878 -7.447 309 HD2 TYR 52 2HD TYR 52 -6.046 -0.089 -8.658 310 HE1 TYR 52 1HE TYR 52 -1.105 0.171 -8.140 311 HE2 TYR 52 2HE TYR 52 -4.825 1.971 -9.363 312 HH TYR 52 HH TYR 52 -1.250 2.240 -9.087 313 H ASP 53 H ASP 53 -7.468 -3.159 -9.248 314 HA ASP 53 HA ASP 53 -7.091 -2.653 -12.103 315 HB3 ASP 53 2HB ASP 53 -9.566 -2.988 -10.376 316 HA PRO 54 HA PRO 54 -7.126 1.698 -10.795 317 HB3 PRO 54 2HB PRO 54 -5.298 1.902 -12.200 318 HG3 PRO 54 2HG PRO 54 -5.224 0.776 -14.329 319 HD3 PRO 54 2HD PRO 54 -5.542 -0.880 -12.686 320 H LYS 55 H LYS 55 -9.608 0.200 -12.180 321 HA LYS 55 HA LYS 55 -11.173 2.719 -12.723 322 HB3 LYS 55 2HB LYS 55 -12.572 1.342 -14.307 323 HG3 LYS 55 2HG LYS 55 -11.071 1.336 -16.239 324 HD3 LYS 55 2HD LYS 55 -10.442 3.856 -14.663 325 HE3 LYS 55 2HE LYS 55 -11.231 3.310 -17.562 326 HZ1 LYS 55 3HZ LYS 55 -10.124 5.814 -16.437 327 HZ2 LYS 55 1HZ LYS 55 -11.744 5.576 -16.621 328 HZ3 LYS 55 2HZ LYS 55 -10.762 5.571 -17.934 329 H GLN 56 H GLN 56 -11.196 -0.616 -11.492 330 HA GLN 56 HA GLN 56 -13.775 -0.221 -10.132 331 HB3 GLN 56 2HB GLN 56 -13.215 -2.287 -8.926 332 HG3 GLN 56 2HG GLN 56 -13.050 -3.871 -10.780 333 HE21 GLN 56 1HE2 GLN 56 -15.332 -3.426 -9.755 334 HE22 GLN 56 2HE2 GLN 56 -16.477 -2.590 -10.792 335 H VAL 57 H VAL 57 -10.331 0.371 -9.256 336 HA VAL 57 HA VAL 57 -11.366 2.212 -7.190 337 HB VAL 57 HB VAL 57 -9.697 1.620 -5.503 338 HG11 VAL 57 1HG1 VAL 57 -11.452 -0.786 -6.114 339 HG12 VAL 57 2HG1 VAL 57 -10.755 -0.329 -4.549 340 HG13 VAL 57 3HG1 VAL 57 -11.980 0.705 -5.296 341 HG21 VAL 57 3HG2 VAL 57 -8.469 -0.508 -5.552 342 HG22 VAL 57 1HG2 VAL 57 -9.117 -0.886 -7.160 343 HG23 VAL 57 2HG2 VAL 57 -8.006 0.480 -6.940 344 H SER 58 H SER 58 -8.981 3.251 -6.232 345 HA SER 58 HA SER 58 -7.071 3.501 -8.443 346 HB3 SER 58 2HB SER 58 -8.847 5.331 -8.752 347 HG SER 58 HG SER 58 -7.681 7.096 -7.190 348 H GLU 59 H GLU 59 -5.231 5.042 -7.594 349 HA GLU 59 HA GLU 59 -3.766 4.166 -5.469 350 HB3 GLU 59 2HB GLU 59 -2.881 6.547 -5.308 351 HG3 GLU 59 2HG GLU 59 -2.942 4.861 -7.722 352 H ILE 60 H ILE 60 -6.553 6.274 -5.155 353 HA ILE 60 HA ILE 60 -6.473 7.249 -2.514 354 HB ILE 60 HB ILE 60 -8.669 6.245 -4.359 355 HG13 ILE 60 2HG1 ILE 60 -9.265 8.651 -4.501 356 HG21 ILE 60 1HG2 ILE 60 -9.083 7.345 -1.579 357 HG22 ILE 60 2HG2 ILE 60 -10.325 7.368 -2.853 358 HG23 ILE 60 3HG2 ILE 60 -9.685 5.823 -2.312 359 HD11 ILE 60 3HD1 ILE 60 -7.775 10.401 -3.865 360 HD12 ILE 60 1HD1 ILE 60 -8.078 9.468 -2.385 361 HD13 ILE 60 2HD1 ILE 60 -6.548 9.273 -3.288 362 H THR 61 H THR 61 -7.561 3.986 -3.546 363 HA THR 61 HA THR 61 -8.559 3.294 -0.956 364 HB THR 61 HB THR 61 -7.792 1.701 -3.420 365 HG1 THR 61 1HG THR 61 -10.251 2.310 -2.117 366 HG21 THR 61 3HG2 THR 61 -7.646 0.070 -1.588 367 HG22 THR 61 1HG2 THR 61 -9.157 -0.165 -2.474 368 HG23 THR 61 2HG2 THR 61 -9.177 0.662 -0.898 369 H ILE 62 H ILE 62 -5.277 3.036 -2.237 370 HA ILE 62 HA ILE 62 -4.466 1.711 0.330 371 HB ILE 62 HB ILE 62 -3.722 0.784 -1.881 372 HG13 ILE 62 2HG1 ILE 62 -2.710 0.207 0.260 373 HG21 ILE 62 1HG2 ILE 62 -1.831 3.172 -1.970 374 HG22 ILE 62 2HG2 ILE 62 -1.866 1.786 -3.084 375 HG23 ILE 62 3HG2 ILE 62 -3.216 2.900 -3.056 376 HD11 ILE 62 3HD1 ILE 62 -0.482 0.492 -1.797 377 HD12 ILE 62 1HD1 ILE 62 -0.637 -0.709 -0.502 378 HD13 ILE 62 2HD1 ILE 62 -1.753 -0.753 -1.877 379 H GLN 63 H GLN 63 -4.209 4.817 -1.349 380 HA GLN 63 HA GLN 63 -2.351 6.144 0.307 381 HB3 GLN 63 2HB GLN 63 -4.940 7.262 -0.853 382 HG3 GLN 63 2HG GLN 63 -2.259 8.669 -0.549 383 HE21 GLN 63 1HE2 GLN 63 -5.376 10.198 0.042 384 HE22 GLN 63 2HE2 GLN 63 -5.500 11.003 -1.500 385 H GLU 64 H GLU 64 -5.905 5.761 0.808 386 HA GLU 64 HA GLU 64 -5.966 7.138 3.340 387 HB3 GLU 64 2HB GLU 64 -8.149 5.949 3.613 388 HG3 GLU 64 2HG GLU 64 -7.916 7.218 0.857 389 H ARG 65 H ARG 65 -5.561 3.631 2.621 390 HA ARG 65 HA ARG 65 -5.565 2.744 5.337 391 HB3 ARG 65 2HB ARG 65 -4.063 1.716 2.886 392 HG3 ARG 65 2HG ARG 65 -3.369 0.743 5.268 393 HD3 ARG 65 2HD ARG 65 -4.540 -1.284 5.809 394 HE ARG 65 HE ARG 65 -6.663 0.858 5.763 395 HH11 ARG 65 1HH1 ARG 65 -4.578 -1.256 7.785 396 HH12 ARG 65 2HH1 ARG 65 -5.477 -0.843 9.197 397 HH21 ARG 65 1HH2 ARG 65 -7.617 1.410 7.635 398 HH22 ARG 65 2HH2 ARG 65 -7.159 0.615 9.132 399 H ILE 66 H ILE 66 -2.859 3.807 3.258 400 HA ILE 66 HA ILE 66 -0.829 3.494 5.305 401 HB ILE 66 HB ILE 66 -0.922 5.127 2.733 402 HG13 ILE 66 2HG1 ILE 66 -1.055 2.486 2.712 403 HG21 ILE 66 1HG2 ILE 66 1.446 4.419 4.521 404 HG22 ILE 66 2HG2 ILE 66 1.569 5.211 2.932 405 HG23 ILE 66 3HG2 ILE 66 0.795 6.057 4.263 406 HD11 ILE 66 3HD1 ILE 66 1.174 3.876 1.190 407 HD12 ILE 66 1HD1 ILE 66 0.519 2.270 0.841 408 HD13 ILE 66 2HD1 ILE 66 -0.520 3.698 0.675 409 H ALA 67 H ALA 67 -2.812 6.331 4.353 410 HA ALA 67 HA ALA 67 -1.653 8.127 6.257 411 HB1 ALA 67 1HB ALA 67 -2.950 8.872 4.319 412 HB2 ALA 67 2HB ALA 67 -4.397 8.055 4.933 413 HB3 ALA 67 3HB ALA 67 -3.721 9.440 5.812 414 H ALA 68 H ALA 68 -4.277 5.703 6.600 415 HA ALA 68 HA ALA 68 -5.265 6.732 9.122 416 HB1 ALA 68 1HB ALA 68 -6.673 4.708 9.009 417 HB2 ALA 68 2HB ALA 68 -6.661 5.551 7.447 418 HB3 ALA 68 3HB ALA 68 -5.696 4.079 7.662 419 H LEU 69 H LEU 69 -2.822 4.380 8.194 420 HA LEU 69 HA LEU 69 -2.272 3.523 10.922 421 HB3 LEU 69 2HB LEU 69 0.075 3.136 9.532 422 HG LEU 69 HG LEU 69 -0.579 0.898 9.023 423 HD11 LEU 69 1HD1 LEU 69 -1.094 0.131 11.215 424 HD12 LEU 69 2HD1 LEU 69 -1.969 1.600 11.624 425 HD13 LEU 69 3HD1 LEU 69 -0.199 1.642 11.425 426 HD21 LEU 69 3HD2 LEU 69 -3.465 1.673 9.662 427 HD22 LEU 69 1HD2 LEU 69 -2.858 0.048 9.297 428 HD23 LEU 69 2HD2 LEU 69 -2.825 1.303 8.048 429 H GLY 70 H GLY 70 -1.688 6.499 9.339 430 HA2 GLY 70 2HA GLY 70 -0.839 8.417 10.385 431 HA3 GLY 70 3HA GLY 70 0.034 7.421 11.574 432 H TYR 71 H TYR 71 0.437 6.409 8.305 433 HA TYR 71 HA TYR 71 3.105 7.751 8.085 434 HB3 TYR 71 2HB TYR 71 3.670 5.979 6.527 435 HD1 TYR 71 2HD TYR 71 4.413 6.263 9.310 436 HD2 TYR 71 1HD TYR 71 1.923 3.260 7.476 437 HE1 TYR 71 2HE TYR 71 4.924 4.716 11.166 438 HE2 TYR 71 1HE TYR 71 2.413 1.708 9.362 439 HH TYR 71 HH TYR 71 4.376 2.755 12.168 440 H THR 72 H THR 72 3.513 7.828 5.422 441 HA THR 72 HA THR 72 1.093 8.866 4.060 442 HB THR 72 HB THR 72 2.487 10.725 3.055 443 HG1 THR 72 1HG THR 72 4.292 11.346 4.174 444 HG21 THR 72 3HG2 THR 72 2.149 10.944 6.076 445 HG22 THR 72 1HG2 THR 72 0.835 11.140 4.896 446 HG23 THR 72 2HG2 THR 72 2.204 12.265 4.897 447 H LEU 73 H LEU 73 1.132 8.712 1.835 448 HA LEU 73 HA LEU 73 2.920 6.635 0.713 449 HB3 LEU 73 2HB LEU 73 0.277 7.909 -0.100 450 HG LEU 73 HG LEU 73 1.450 7.313 -2.212 451 HD11 LEU 73 1HD1 LEU 73 2.923 5.496 -1.384 452 HD12 LEU 73 2HD1 LEU 73 1.894 4.925 -2.699 453 HD13 LEU 73 3HD1 LEU 73 1.495 4.502 -1.031 454 HD21 LEU 73 3HD2 LEU 73 -0.834 5.441 -1.456 455 HD22 LEU 73 1HD2 LEU 73 -0.334 5.873 -3.106 456 HD23 LEU 73 2HD2 LEU 73 -0.998 7.115 -2.036 457 H ALA 74 H ALA 74 4.482 6.998 -0.758 458 HA ALA 74 HA ALA 74 4.390 9.437 -2.479 459 HB1 ALA 74 1HB ALA 74 6.834 8.150 -1.175 460 HB2 ALA 74 2HB ALA 74 6.860 9.501 -2.335 461 HB3 ALA 74 3HB ALA 74 6.122 9.713 -0.739 462 H GLU 75 H GLU 75 3.232 8.138 -3.973 463 HA GLU 75 HA GLU 75 4.435 5.713 -5.137 464 HB3 GLU 75 2HB GLU 75 1.842 7.200 -5.764 465 HG3 GLU 75 2HG GLU 75 1.268 4.852 -6.690 466 HA PRO 76 HA PRO 76 6.670 8.703 -7.188 467 HB3 PRO 76 2HB PRO 76 8.434 7.213 -7.006 468 HG3 PRO 76 2HG PRO 76 8.128 4.899 -7.501 469 HD3 PRO 76 2HD PRO 76 6.418 5.400 -5.985 Start of MODEL 14 1 H2 PRO 6 2H PRO 6 -4.497 -5.429 -17.481 2 HA PRO 6 HA PRO 6 -6.715 -3.550 -17.772 3 HB3 PRO 6 2HB PRO 6 -8.314 -5.045 -17.248 4 HG3 PRO 6 2HG PRO 6 -7.835 -6.792 -18.730 5 HD3 PRO 6 2HD PRO 6 -6.360 -5.273 -19.760 6 H LEU 7 H LEU 7 -5.037 -5.548 -15.224 7 HA LEU 7 HA LEU 7 -5.002 -3.143 -13.495 8 HB3 LEU 7 2HB LEU 7 -6.594 -4.773 -12.659 9 HG LEU 7 HG LEU 7 -4.292 -6.758 -12.474 10 HD11 LEU 7 1HD1 LEU 7 -5.647 -7.983 -10.860 11 HD12 LEU 7 2HD1 LEU 7 -6.948 -6.776 -10.969 12 HD13 LEU 7 3HD1 LEU 7 -5.391 -6.345 -10.250 13 HD21 LEU 7 3HD2 LEU 7 -6.011 -8.387 -13.266 14 HD22 LEU 7 1HD2 LEU 7 -5.758 -7.118 -14.459 15 HD23 LEU 7 2HD2 LEU 7 -7.191 -7.068 -13.422 16 H LYS 8 H LYS 8 -3.143 -2.713 -12.368 17 HA LYS 8 HA LYS 8 -0.695 -3.937 -13.593 18 HB3 LYS 8 2HB LYS 8 -0.996 -1.647 -14.299 19 HG3 LYS 8 2HG LYS 8 -1.433 -1.061 -11.352 20 HD3 LYS 8 2HD LYS 8 -0.757 1.067 -13.410 21 HE3 LYS 8 2HE LYS 8 -1.032 0.981 -10.371 22 HZ1 LYS 8 3HZ LYS 8 -0.222 3.223 -10.312 23 HZ2 LYS 8 1HZ LYS 8 -0.157 3.333 -11.949 24 HZ3 LYS 8 2HZ LYS 8 0.888 2.368 -11.169 25 H THR 9 H THR 9 1.149 -4.321 -12.324 26 HA THR 9 HA THR 9 0.818 -4.187 -9.348 27 HB THR 9 HB THR 9 3.067 -5.542 -10.870 28 HG1 THR 9 1HG THR 9 0.776 -6.671 -9.639 29 HG21 THR 9 3HG2 THR 9 3.210 -6.811 -8.662 30 HG22 THR 9 1HG2 THR 9 2.087 -5.628 -7.969 31 HG23 THR 9 2HG2 THR 9 3.685 -5.116 -8.560 32 H GLN 10 H GLN 10 2.390 -3.072 -8.084 33 HA GLN 10 HA GLN 10 4.365 -1.328 -9.349 34 HB3 GLN 10 2HB GLN 10 1.762 -0.339 -8.127 35 HG3 GLN 10 2HG GLN 10 3.448 1.169 -7.203 36 HE21 GLN 10 1HE2 GLN 10 3.655 3.593 -9.321 37 HE22 GLN 10 2HE2 GLN 10 5.260 3.301 -9.960 38 H GLN 11 H GLN 11 5.744 -0.404 -7.797 39 HA GLN 11 HA GLN 11 5.544 -1.491 -5.038 40 HB3 GLN 11 2HB GLN 11 8.055 -0.384 -6.335 41 HG3 GLN 11 2HG GLN 11 7.718 -2.481 -4.142 42 HE21 GLN 11 1HE2 GLN 11 9.658 -3.610 -3.844 43 HE22 GLN 11 2HE2 GLN 11 11.226 -2.966 -4.279 44 H MET 12 H MET 12 5.891 0.076 -3.291 45 HA MET 12 HA MET 12 6.086 2.921 -4.067 46 HB3 MET 12 2HB MET 12 3.715 2.615 -4.057 47 HG3 MET 12 2HG MET 12 4.052 1.464 -1.255 48 HE1 MET 12 3HE MET 12 1.448 2.972 -3.922 49 HE2 MET 12 1HE MET 12 1.168 1.216 -3.873 50 HE3 MET 12 2HE MET 12 -0.051 2.336 -3.224 51 H GLN 13 H GLN 13 7.048 4.225 -2.681 52 HA GLN 13 HA GLN 13 8.177 3.133 -0.212 53 HB3 GLN 13 2HB GLN 13 9.093 5.493 0.031 54 HG3 GLN 13 2HG GLN 13 9.803 4.100 -2.582 55 HE21 GLN 13 1HE2 GLN 13 11.457 5.198 -3.704 56 HE22 GLN 13 2HE2 GLN 13 12.482 6.401 -2.930 57 H VAL 14 H VAL 14 7.608 3.663 1.810 58 HA VAL 14 HA VAL 14 5.194 5.198 2.509 59 HB VAL 14 HB VAL 14 5.202 2.130 2.486 60 HG11 VAL 14 1HG1 VAL 14 4.298 2.778 4.651 61 HG12 VAL 14 2HG1 VAL 14 3.301 4.046 3.911 62 HG13 VAL 14 3HG1 VAL 14 2.947 2.328 3.621 63 HG21 VAL 14 3HG2 VAL 14 3.247 4.110 1.278 64 HG22 VAL 14 1HG2 VAL 14 4.383 3.079 0.379 65 HG23 VAL 14 2HG2 VAL 14 3.067 2.342 1.283 66 H GLY 15 H GLY 15 5.720 6.031 4.454 67 HA2 GLY 15 2HA GLY 15 8.044 5.292 5.891 68 HA3 GLY 15 3HA GLY 15 6.752 6.339 6.514 69 H GLY 16 H GLY 16 4.786 4.103 6.271 70 HA2 GLY 16 2HA GLY 16 5.176 2.850 8.888 71 HA3 GLY 16 3HA GLY 16 3.736 2.763 7.849 72 H MET 17 H MET 17 6.979 1.852 6.765 73 HA MET 17 HA MET 17 6.148 -1.047 6.747 74 HB3 MET 17 2HB MET 17 7.750 -1.220 4.803 75 HG3 MET 17 2HG MET 17 6.236 -0.014 3.166 76 HE1 MET 17 3HE MET 17 3.311 -0.675 5.418 77 HE2 MET 17 1HE MET 17 3.134 -0.406 3.665 78 HE3 MET 17 2HE MET 17 2.646 -1.961 4.380 79 H ARG 18 H ARG 18 8.839 1.177 7.518 80 HA ARG 18 HA ARG 18 10.813 -0.888 7.737 81 HB3 ARG 18 2HB ARG 18 12.162 0.900 8.903 82 HG3 ARG 18 2HG ARG 18 10.823 1.799 6.318 83 HD3 ARG 18 2HD ARG 18 13.600 2.308 7.498 84 HE ARG 18 HE ARG 18 12.833 3.700 5.061 85 HH11 ARG 18 1HH1 ARG 18 14.560 0.787 6.207 86 HH12 ARG 18 2HH1 ARG 18 15.559 0.743 4.773 87 HH21 ARG 18 1HH2 ARG 18 14.223 3.536 3.266 88 HH22 ARG 18 2HH2 ARG 18 15.287 2.170 3.130 89 H CYS 19 H CYS 19 8.388 0.051 10.002 90 HA CYS 19 HA CYS 19 9.592 -1.719 12.089 91 HB3 CYS 19 2HB CYS 19 7.186 0.146 12.109 92 HG CYS 19 HG CYS 19 7.061 -0.195 14.777 93 H ALA 20 H ALA 20 8.932 -3.801 12.222 94 HA ALA 20 HA ALA 20 7.279 -4.943 10.204 95 HB1 ALA 20 1HB ALA 20 8.136 -6.116 12.886 96 HB2 ALA 20 2HB ALA 20 7.552 -7.028 11.482 97 HB3 ALA 20 3HB ALA 20 9.090 -6.153 11.391 98 H ALA 21 H ALA 21 6.416 -4.039 13.572 99 HA ALA 21 HA ALA 21 3.710 -4.939 13.498 100 HB1 ALA 21 1HB ALA 21 3.376 -3.330 15.322 101 HB2 ALA 21 2HB ALA 21 4.907 -4.196 15.536 102 HB3 ALA 21 3HB ALA 21 4.907 -2.523 14.934 103 H CYS 22 H CYS 22 5.167 -2.007 12.049 104 HA CYS 22 HA CYS 22 2.560 -0.874 11.402 105 HB3 CYS 22 2HB CYS 22 3.915 0.791 10.097 106 HG CYS 22 HG CYS 22 5.137 2.106 11.992 107 H ALA 23 H ALA 23 5.101 -2.436 9.364 108 HA ALA 23 HA ALA 23 3.636 -2.728 7.003 109 HB1 ALA 23 1HB ALA 23 6.014 -3.344 7.409 110 HB2 ALA 23 2HB ALA 23 5.481 -4.740 8.370 111 HB3 ALA 23 3HB ALA 23 5.108 -4.644 6.640 112 H SER 24 H SER 24 3.257 -4.484 10.074 113 HA SER 24 HA SER 24 1.466 -6.562 8.969 114 HB3 SER 24 2HB SER 24 1.187 -7.260 11.296 115 HG SER 24 HG SER 24 3.912 -6.516 10.878 116 H SER 25 H SER 25 1.028 -3.365 10.308 117 HA SER 25 HA SER 25 -1.869 -3.690 10.846 118 HB3 SER 25 2HB SER 25 -1.817 -1.375 11.498 119 HG SER 25 HG SER 25 0.628 -2.532 12.456 120 H ILE 26 H ILE 26 0.209 -2.718 8.237 121 HA ILE 26 HA ILE 26 -2.085 -1.842 6.571 122 HB ILE 26 HB ILE 26 0.814 -2.421 5.847 123 HG13 ILE 26 2HG1 ILE 26 1.097 0.052 5.725 124 HG21 ILE 26 1HG2 ILE 26 -0.545 -2.593 3.871 125 HG22 ILE 26 2HG2 ILE 26 -1.423 -1.098 4.263 126 HG23 ILE 26 3HG2 ILE 26 0.298 -1.042 3.822 127 HD11 ILE 26 3HD1 ILE 26 -0.340 1.526 6.994 128 HD12 ILE 26 1HD1 ILE 26 -1.274 0.783 5.699 129 HD13 ILE 26 2HD1 ILE 26 -1.448 0.195 7.387 130 H GLU 27 H GLU 27 0.145 -4.707 6.598 131 HA GLU 27 HA GLU 27 -1.146 -5.840 4.349 132 HB3 GLU 27 2HB GLU 27 0.425 -7.418 6.424 133 HG3 GLU 27 2HG GLU 27 0.090 -7.627 3.391 134 H ARG 28 H ARG 28 -1.851 -6.358 7.860 135 HA ARG 28 HA ARG 28 -3.631 -8.555 7.366 136 HB3 ARG 28 2HB ARG 28 -3.861 -6.671 9.718 137 HG3 ARG 28 2HG ARG 28 -4.138 -9.704 9.448 138 HD3 ARG 28 2HD ARG 28 -4.970 -7.841 11.704 139 HE ARG 28 HE ARG 28 -5.603 -10.601 11.140 140 HH11 ARG 28 1HH1 ARG 28 -4.888 -8.530 13.939 141 HH12 ARG 28 2HH1 ARG 28 -5.604 -9.690 15.032 142 HH21 ARG 28 1HH2 ARG 28 -6.556 -11.892 12.521 143 HH22 ARG 28 2HH2 ARG 28 -6.670 -11.486 14.240 144 H ALA 29 H ALA 29 -4.105 -5.131 6.811 145 HA ALA 29 HA ALA 29 -7.050 -5.508 6.444 146 HB1 ALA 29 1HB ALA 29 -6.331 -3.505 7.626 147 HB2 ALA 29 2HB ALA 29 -5.287 -3.032 6.260 148 HB3 ALA 29 3HB ALA 29 -7.054 -3.089 6.055 149 H LEU 30 H LEU 30 -4.066 -5.017 4.547 150 HA LEU 30 HA LEU 30 -5.231 -4.029 2.245 151 HB3 LEU 30 2HB LEU 30 -2.720 -5.732 2.448 152 HG LEU 30 HG LEU 30 -3.088 -5.193 0.099 153 HD11 LEU 30 1HD1 LEU 30 -4.696 -3.348 0.201 154 HD12 LEU 30 2HD1 LEU 30 -3.259 -2.802 -0.658 155 HD13 LEU 30 3HD1 LEU 30 -3.509 -2.322 1.037 156 HD21 LEU 30 3HD2 LEU 30 -0.795 -4.929 1.009 157 HD22 LEU 30 1HD2 LEU 30 -1.136 -3.220 1.369 158 HD23 LEU 30 2HD2 LEU 30 -1.105 -3.781 -0.313 159 H GLU 31 H GLU 31 -5.490 -7.341 3.217 160 HA GLU 31 HA GLU 31 -6.093 -8.336 0.535 161 HB3 GLU 31 2HB GLU 31 -5.161 -9.826 2.282 162 HG3 GLU 31 2HG GLU 31 -7.814 -9.349 3.737 163 H ARG 32 H ARG 32 -7.878 -6.554 2.876 164 HA ARG 32 HA ARG 32 -10.449 -7.386 1.660 165 HB3 ARG 32 2HB ARG 32 -10.276 -8.373 3.816 166 HG3 ARG 32 2HG ARG 32 -10.165 -5.572 5.019 167 HD3 ARG 32 2HD ARG 32 -9.956 -6.766 7.159 168 HE ARG 32 HE ARG 32 -12.245 -6.271 6.706 169 HH11 ARG 32 1HH1 ARG 32 -11.469 -9.703 6.048 170 HH12 ARG 32 2HH1 ARG 32 -13.155 -10.131 6.085 171 HH21 ARG 32 1HH2 ARG 32 -14.354 -6.951 6.542 172 HH22 ARG 32 2HH2 ARG 32 -14.721 -8.664 6.413 173 H LEU 33 H LEU 33 -8.436 -4.736 1.766 174 HA LEU 33 HA LEU 33 -10.364 -2.626 1.971 175 HB3 LEU 33 2HB LEU 33 -8.673 -1.240 0.817 176 HG LEU 33 HG LEU 33 -7.223 -3.063 2.742 177 HD11 LEU 33 1HD1 LEU 33 -6.732 -0.145 2.062 178 HD12 LEU 33 2HD1 LEU 33 -5.839 -1.503 1.352 179 HD13 LEU 33 3HD1 LEU 33 -5.740 -1.199 3.094 180 HD21 LEU 33 3HD2 LEU 33 -7.804 -1.369 4.493 181 HD22 LEU 33 1HD2 LEU 33 -9.213 -2.258 3.906 182 HD23 LEU 33 2HD2 LEU 33 -8.911 -0.599 3.339 183 H LYS 34 H LYS 34 -10.223 -4.937 -0.532 184 HA LYS 34 HA LYS 34 -11.489 -5.248 -2.348 185 HB3 LYS 34 2HB LYS 34 -12.872 -2.583 -1.909 186 HG3 LYS 34 2HG LYS 34 -13.743 -5.277 -3.038 187 HD3 LYS 34 2HD LYS 34 -15.376 -2.828 -2.263 188 HE3 LYS 34 2HE LYS 34 -16.186 -5.347 -3.785 189 HZ1 LYS 34 3HZ LYS 34 -18.352 -4.160 -3.824 190 HZ2 LYS 34 1HZ LYS 34 -17.775 -3.087 -2.702 191 HZ3 LYS 34 2HZ LYS 34 -17.931 -4.675 -2.328 192 H GLY 35 H GLY 35 -11.485 -4.902 -4.610 193 HA2 GLY 35 2HA GLY 35 -10.849 -3.980 -6.650 194 HA3 GLY 35 3HA GLY 35 -10.409 -2.469 -5.825 195 H VAL 36 H VAL 36 -8.491 -3.309 -4.054 196 HA VAL 36 HA VAL 36 -6.083 -4.038 -5.430 197 HB VAL 36 HB VAL 36 -5.266 -4.827 -3.170 198 HG11 VAL 36 1HG1 VAL 36 -6.456 -2.029 -3.276 199 HG12 VAL 36 2HG1 VAL 36 -5.145 -2.584 -2.213 200 HG13 VAL 36 3HG1 VAL 36 -4.894 -2.538 -3.966 201 HG21 VAL 36 3HG2 VAL 36 -7.361 -5.481 -2.045 202 HG22 VAL 36 1HG2 VAL 36 -6.592 -4.155 -1.170 203 HG23 VAL 36 2HG2 VAL 36 -7.984 -3.823 -2.186 204 H ALA 37 H ALA 37 -5.336 -5.899 -6.186 205 HA ALA 37 HA ALA 37 -7.038 -8.336 -5.960 206 HB1 ALA 37 1HB ALA 37 -5.836 -9.018 -7.991 207 HB2 ALA 37 2HB ALA 37 -6.559 -7.413 -8.184 208 HB3 ALA 37 3HB ALA 37 -4.810 -7.571 -7.896 209 H GLU 38 H GLU 38 -3.591 -7.382 -5.629 210 HA GLU 38 HA GLU 38 -2.994 -9.718 -3.958 211 HB3 GLU 38 2HB GLU 38 -2.054 -9.412 -6.829 212 HG3 GLU 38 2HG GLU 38 -0.771 -10.932 -4.572 213 H ALA 39 H ALA 39 -1.198 -9.372 -2.622 214 HA ALA 39 HA ALA 39 0.705 -7.211 -3.111 215 HB1 ALA 39 1HB ALA 39 -0.033 -5.765 -1.286 216 HB2 ALA 39 2HB ALA 39 -1.334 -5.927 -2.472 217 HB3 ALA 39 3HB ALA 39 -1.412 -6.839 -0.950 218 H SER 40 H SER 40 2.321 -6.969 -1.509 219 HA SER 40 HA SER 40 2.360 -8.694 0.857 220 HB3 SER 40 2HB SER 40 4.497 -9.219 -1.217 221 HG SER 40 HG SER 40 3.874 -11.291 0.286 222 H VAL 41 H VAL 41 3.550 -7.778 2.451 223 HA VAL 41 HA VAL 41 5.001 -5.263 1.838 224 HB VAL 41 HB VAL 41 5.135 -4.869 4.230 225 HG11 VAL 41 1HG1 VAL 41 2.759 -4.674 4.705 226 HG12 VAL 41 2HG1 VAL 41 3.091 -4.263 3.026 227 HG13 VAL 41 3HG1 VAL 41 2.367 -5.831 3.408 228 HG21 VAL 41 3HG2 VAL 41 3.959 -6.486 5.817 229 HG22 VAL 41 1HG2 VAL 41 4.141 -7.711 4.554 230 HG23 VAL 41 2HG2 VAL 41 5.570 -6.943 5.246 231 H THR 42 H THR 42 7.133 -4.721 2.472 232 HA THR 42 HA THR 42 8.866 -6.911 3.498 233 HB THR 42 HB THR 42 9.477 -6.902 1.232 234 HG1 THR 42 1HG THR 42 11.568 -6.499 1.499 235 HG21 THR 42 3HG2 THR 42 8.642 -4.773 0.397 236 HG22 THR 42 1HG2 THR 42 10.362 -4.922 0.054 237 HG23 THR 42 2HG2 THR 42 9.831 -3.882 1.378 238 H VAL 43 H VAL 43 9.896 -6.385 5.200 239 HA VAL 43 HA VAL 43 9.658 -3.645 6.335 240 HB VAL 43 HB VAL 43 10.658 -6.245 7.578 241 HG11 VAL 43 1HG1 VAL 43 9.973 -3.588 8.921 242 HG12 VAL 43 2HG1 VAL 43 10.415 -5.090 9.753 243 HG13 VAL 43 3HG1 VAL 43 11.605 -4.269 8.747 244 HG21 VAL 43 3HG2 VAL 43 8.243 -6.377 7.058 245 HG22 VAL 43 1HG2 VAL 43 8.516 -6.287 8.795 246 HG23 VAL 43 2HG2 VAL 43 7.978 -4.841 7.910 247 H ALA 44 H ALA 44 12.006 -6.131 5.299 248 HA ALA 44 HA ALA 44 14.403 -4.916 6.194 249 HB1 ALA 44 1HB ALA 44 15.462 -6.543 4.652 250 HB2 ALA 44 2HB ALA 44 14.157 -7.295 5.583 251 HB3 ALA 44 3HB ALA 44 13.891 -6.854 3.880 252 H THR 45 H THR 45 12.760 -4.637 3.004 253 HA THR 45 HA THR 45 14.573 -2.442 2.155 254 HB THR 45 HB THR 45 11.978 -3.062 0.760 255 HG1 THR 45 1HG THR 45 12.932 -4.716 -0.347 256 HG21 THR 45 3HG2 THR 45 13.315 -2.533 -1.236 257 HG22 THR 45 1HG2 THR 45 14.792 -2.431 -0.253 258 HG23 THR 45 2HG2 THR 45 13.501 -1.236 -0.045 259 H GLY 46 H GLY 46 11.440 -2.885 3.698 260 HA2 GLY 46 2HA GLY 46 10.091 -1.385 4.786 261 HA3 GLY 46 3HA GLY 46 11.259 -0.086 4.423 262 H ARG 47 H ARG 47 9.144 -2.228 2.413 263 HA ARG 47 HA ARG 47 7.955 0.115 1.055 264 HB3 ARG 47 2HB ARG 47 8.557 -0.694 -1.192 265 HG3 ARG 47 2HG ARG 47 11.131 -0.358 0.371 266 HD3 ARG 47 2HD ARG 47 10.371 0.479 -2.453 267 HE ARG 47 HE ARG 47 12.609 1.192 -0.875 268 HH11 ARG 47 1HH1 ARG 47 12.009 -0.113 -4.141 269 HH12 ARG 47 2HH1 ARG 47 13.521 0.527 -4.739 270 HH21 ARG 47 1HH2 ARG 47 14.597 1.891 -1.759 271 HH22 ARG 47 2HH2 ARG 47 15.026 1.415 -3.377 272 H LEU 48 H LEU 48 6.311 -0.574 -0.549 273 HA LEU 48 HA LEU 48 5.085 -3.234 0.101 274 HB3 LEU 48 2HB LEU 48 3.200 -1.338 -1.076 275 HG LEU 48 HG LEU 48 3.395 -2.472 1.736 276 HD11 LEU 48 1HD1 LEU 48 0.947 -1.940 1.788 277 HD12 LEU 48 2HD1 LEU 48 1.106 -1.185 0.188 278 HD13 LEU 48 3HD1 LEU 48 1.944 -0.482 1.587 279 HD21 LEU 48 3HD2 LEU 48 3.166 -4.322 0.096 280 HD22 LEU 48 1HD2 LEU 48 1.812 -3.477 -0.687 281 HD23 LEU 48 2HD2 LEU 48 1.653 -4.103 0.966 282 H THR 49 H THR 49 4.286 -4.466 -1.580 283 HA THR 49 HA THR 49 4.444 -3.432 -4.394 284 HB THR 49 HB THR 49 4.676 -6.353 -3.554 285 HG1 THR 49 1HG THR 49 6.606 -5.536 -3.189 286 HG21 THR 49 3HG2 THR 49 3.571 -6.017 -5.755 287 HG22 THR 49 1HG2 THR 49 5.175 -6.714 -5.944 288 HG23 THR 49 2HG2 THR 49 4.925 -4.984 -6.277 289 H VAL 50 H VAL 50 2.496 -3.332 -5.306 290 HA VAL 50 HA VAL 50 0.241 -4.957 -4.253 291 HB VAL 50 HB VAL 50 0.173 -2.940 -2.906 292 HG11 VAL 50 1HG1 VAL 50 1.308 -1.328 -4.396 293 HG12 VAL 50 2HG1 VAL 50 -0.101 -1.327 -5.479 294 HG13 VAL 50 3HG1 VAL 50 -0.248 -0.715 -3.823 295 HG21 VAL 50 3HG2 VAL 50 -1.981 -3.992 -3.592 296 HG22 VAL 50 1HG2 VAL 50 -2.121 -2.256 -3.276 297 HG23 VAL 50 2HG2 VAL 50 -2.090 -2.847 -4.943 298 H THR 51 H THR 51 -1.262 -5.502 -5.667 299 HA THR 51 HA THR 51 -1.129 -4.559 -8.491 300 HB THR 51 HB THR 51 -2.160 -7.207 -7.371 301 HG1 THR 51 1HG THR 51 -0.335 -8.029 -8.503 302 HG21 THR 51 3HG2 THR 51 -1.684 -6.291 -10.269 303 HG22 THR 51 1HG2 THR 51 -3.270 -6.491 -9.518 304 HG23 THR 51 2HG2 THR 51 -2.234 -7.898 -9.743 305 H TYR 52 H TYR 52 -2.871 -3.412 -9.191 306 HA TYR 52 HA TYR 52 -5.552 -3.896 -8.096 307 HB3 TYR 52 2HB TYR 52 -4.503 -2.356 -6.443 308 HD1 TYR 52 2HD TYR 52 -5.876 0.184 -8.744 309 HD2 TYR 52 1HD TYR 52 -2.293 -1.313 -6.872 310 HE1 TYR 52 2HE TYR 52 -4.691 2.292 -9.323 311 HE2 TYR 52 1HE TYR 52 -1.117 0.815 -7.410 312 HH TYR 52 HH TYR 52 -1.320 2.995 -8.362 313 H ASP 53 H ASP 53 -7.298 -2.813 -9.224 314 HA ASP 53 HA ASP 53 -6.686 -2.367 -12.067 315 HB3 ASP 53 2HB ASP 53 -9.277 -2.826 -10.576 316 HA PRO 54 HA PRO 54 -6.804 1.948 -10.895 317 HB3 PRO 54 2HB PRO 54 -4.900 2.009 -12.232 318 HG3 PRO 54 2HG PRO 54 -4.855 0.965 -14.397 319 HD3 PRO 54 2HD PRO 54 -5.295 -0.699 -12.789 320 H LYS 55 H LYS 55 -9.355 0.613 -12.008 321 HA LYS 55 HA LYS 55 -10.769 3.174 -12.337 322 HB3 LYS 55 2HB LYS 55 -10.302 2.617 -14.620 323 HG3 LYS 55 2HG LYS 55 -11.869 0.051 -14.194 324 HD3 LYS 55 2HD LYS 55 -10.519 1.010 -16.731 325 HE3 LYS 55 2HE LYS 55 -11.298 -1.406 -16.400 326 HZ1 LYS 55 3HZ LYS 55 -13.633 -1.785 -16.678 327 HZ2 LYS 55 1HZ LYS 55 -13.966 -0.189 -16.855 328 HZ3 LYS 55 2HZ LYS 55 -13.493 -0.753 -15.398 329 H GLN 56 H GLN 56 -11.089 -0.323 -11.657 330 HA GLN 56 HA GLN 56 -13.566 -0.073 -10.166 331 HB3 GLN 56 2HB GLN 56 -12.482 -1.910 -8.740 332 HG3 GLN 56 2HG GLN 56 -12.803 -2.186 -11.735 333 HE21 GLN 56 1HE2 GLN 56 -12.436 -4.156 -12.764 334 HE22 GLN 56 2HE2 GLN 56 -11.695 -5.539 -11.967 335 H VAL 57 H VAL 57 -10.102 0.472 -9.214 336 HA VAL 57 HA VAL 57 -11.016 2.421 -7.175 337 HB VAL 57 HB VAL 57 -9.433 1.568 -5.509 338 HG11 VAL 57 1HG1 VAL 57 -10.771 -0.304 -4.696 339 HG12 VAL 57 2HG1 VAL 57 -11.801 0.984 -5.338 340 HG13 VAL 57 3HG1 VAL 57 -11.532 -0.495 -6.287 341 HG21 VAL 57 3HG2 VAL 57 -7.882 0.296 -6.976 342 HG22 VAL 57 1HG2 VAL 57 -8.494 -0.701 -5.651 343 HG23 VAL 57 2HG2 VAL 57 -9.153 -0.906 -7.286 344 H SER 58 H SER 58 -8.759 3.287 -6.138 345 HA SER 58 HA SER 58 -6.606 3.523 -8.106 346 HB3 SER 58 2HB SER 58 -8.152 5.338 -8.806 347 HG SER 58 HG SER 58 -9.140 5.841 -6.843 348 H GLU 59 H GLU 59 -4.991 5.225 -7.005 349 HA GLU 59 HA GLU 59 -3.734 4.360 -4.782 350 HB3 GLU 59 2HB GLU 59 -4.206 7.313 -5.383 351 HG3 GLU 59 2HG GLU 59 -1.742 5.735 -4.536 352 H ILE 60 H ILE 60 -6.639 6.356 -4.699 353 HA ILE 60 HA ILE 60 -6.866 7.144 -2.004 354 HB ILE 60 HB ILE 60 -8.803 6.458 -4.224 355 HG13 ILE 60 2HG1 ILE 60 -8.419 9.014 -2.600 356 HG21 ILE 60 1HG2 ILE 60 -9.654 7.109 -1.381 357 HG22 ILE 60 2HG2 ILE 60 -10.711 7.205 -2.812 358 HG23 ILE 60 3HG2 ILE 60 -10.052 5.648 -2.330 359 HD11 ILE 60 3HD1 ILE 60 -7.414 8.370 -5.407 360 HD12 ILE 60 1HD1 ILE 60 -7.513 9.995 -4.708 361 HD13 ILE 60 2HD1 ILE 60 -6.422 8.805 -3.990 362 H THR 61 H THR 61 -7.813 3.939 -3.375 363 HA THR 61 HA THR 61 -9.101 2.979 -1.028 364 HB THR 61 HB THR 61 -7.920 1.738 -3.498 365 HG1 THR 61 1HG THR 61 -9.976 2.567 -3.502 366 HG21 THR 61 3HG2 THR 61 -7.308 0.012 -1.832 367 HG22 THR 61 1HG2 THR 61 -8.656 -0.491 -2.845 368 HG23 THR 61 2HG2 THR 61 -8.967 0.057 -1.183 369 H ILE 62 H ILE 62 -5.678 2.965 -1.815 370 HA ILE 62 HA ILE 62 -5.089 1.479 0.718 371 HB ILE 62 HB ILE 62 -4.196 0.649 -1.458 372 HG13 ILE 62 2HG1 ILE 62 -3.361 -0.071 0.660 373 HG21 ILE 62 1HG2 ILE 62 -3.636 2.790 -2.529 374 HG22 ILE 62 2HG2 ILE 62 -2.360 3.061 -1.321 375 HG23 ILE 62 3HG2 ILE 62 -2.251 1.711 -2.473 376 HD11 ILE 62 3HD1 ILE 62 -2.036 -0.762 -1.399 377 HD12 ILE 62 1HD1 ILE 62 -0.874 0.525 -0.991 378 HD13 ILE 62 2HD1 ILE 62 -1.163 -0.817 0.143 379 H GLN 63 H GLN 63 -4.756 4.720 -0.687 380 HA GLN 63 HA GLN 63 -3.235 5.832 1.474 381 HB3 GLN 63 2HB GLN 63 -5.549 7.265 0.136 382 HG3 GLN 63 2HG GLN 63 -3.948 8.282 1.973 383 HE21 GLN 63 1HE2 GLN 63 -2.770 9.284 -1.214 384 HE22 GLN 63 2HE2 GLN 63 -1.059 9.093 -0.861 385 H GLU 64 H GLU 64 -6.765 5.238 1.104 386 HA GLU 64 HA GLU 64 -7.602 6.153 3.658 387 HB3 GLU 64 2HB GLU 64 -9.583 4.567 3.137 388 HG3 GLU 64 2HG GLU 64 -10.359 5.833 1.123 389 H ARG 65 H ARG 65 -5.420 3.740 3.279 390 HA ARG 65 HA ARG 65 -6.003 2.845 6.056 391 HB3 ARG 65 2HB ARG 65 -4.845 1.172 3.817 392 HG3 ARG 65 2HG ARG 65 -3.453 0.611 5.660 393 HD3 ARG 65 2HD ARG 65 -4.615 1.459 7.658 394 HE ARG 65 HE ARG 65 -6.963 0.732 7.089 395 HH11 ARG 65 1HH1 ARG 65 -5.052 -0.962 9.490 396 HH12 ARG 65 2HH1 ARG 65 -6.400 -1.980 9.950 397 HH21 ARG 65 1HH2 ARG 65 -8.627 -0.675 7.668 398 HH22 ARG 65 2HH2 ARG 65 -8.317 -1.818 8.976 399 H ILE 66 H ILE 66 -3.367 3.519 3.647 400 HA ILE 66 HA ILE 66 -1.295 3.523 5.663 401 HB ILE 66 HB ILE 66 -1.422 4.759 2.887 402 HG13 ILE 66 2HG1 ILE 66 -1.545 2.170 3.272 403 HG21 ILE 66 1HG2 ILE 66 1.087 4.887 3.040 404 HG22 ILE 66 2HG2 ILE 66 0.292 5.970 4.169 405 HG23 ILE 66 3HG2 ILE 66 0.982 4.442 4.751 406 HD11 ILE 66 3HD1 ILE 66 -0.948 3.094 1.086 407 HD12 ILE 66 1HD1 ILE 66 0.765 3.185 1.584 408 HD13 ILE 66 2HD1 ILE 66 -0.043 1.618 1.464 409 H ALA 67 H ALA 67 -3.303 6.245 4.452 410 HA ALA 67 HA ALA 67 -2.004 8.139 6.239 411 HB1 ALA 67 1HB ALA 67 -4.579 8.362 4.634 412 HB2 ALA 67 2HB ALA 67 -3.708 9.689 5.420 413 HB3 ALA 67 3HB ALA 67 -2.948 8.825 4.074 414 H ALA 68 H ALA 68 -4.390 5.699 6.725 415 HA ALA 68 HA ALA 68 -5.703 7.055 9.008 416 HB1 ALA 68 1HB ALA 68 -6.088 4.246 7.877 417 HB2 ALA 68 2HB ALA 68 -7.119 5.076 9.052 418 HB3 ALA 68 3HB ALA 68 -7.022 5.682 7.390 419 H LEU 69 H LEU 69 -3.316 4.456 8.383 420 HA LEU 69 HA LEU 69 -2.827 3.819 11.144 421 HB3 LEU 69 2HB LEU 69 -0.954 3.731 8.731 422 HG LEU 69 HG LEU 69 0.253 3.420 10.888 423 HD11 LEU 69 1HD1 LEU 69 -0.222 1.367 12.252 424 HD12 LEU 69 2HD1 LEU 69 -1.704 1.126 11.298 425 HD13 LEU 69 3HD1 LEU 69 -1.522 2.559 12.333 426 HD21 LEU 69 3HD2 LEU 69 1.335 1.307 10.373 427 HD22 LEU 69 1HD2 LEU 69 0.993 2.185 8.875 428 HD23 LEU 69 2HD2 LEU 69 -0.034 0.812 9.363 429 H GLY 70 H GLY 70 -1.893 6.504 9.106 430 HA2 GLY 70 2HA GLY 70 -1.518 8.643 10.161 431 HA3 GLY 70 3HA GLY 70 -0.529 7.863 11.408 432 H TYR 71 H TYR 71 -0.181 7.015 7.986 433 HA TYR 71 HA TYR 71 2.350 8.624 7.784 434 HB3 TYR 71 2HB TYR 71 3.132 6.755 6.302 435 HD1 TYR 71 2HD TYR 71 4.813 7.402 8.035 436 HD2 TYR 71 1HD TYR 71 1.592 4.664 8.869 437 HE1 TYR 71 2HE TYR 71 6.071 6.537 9.978 438 HE2 TYR 71 1HE TYR 71 2.862 3.781 10.832 439 HH TYR 71 HH TYR 71 6.142 4.998 11.655 440 H THR 72 H THR 72 2.609 7.971 4.970 441 HA THR 72 HA THR 72 0.222 8.360 3.428 442 HB THR 72 HB THR 72 2.060 10.747 3.787 443 HG1 THR 72 1HG THR 72 -0.051 10.356 4.835 444 HG21 THR 72 3HG2 THR 72 0.979 11.800 1.822 445 HG22 THR 72 1HG2 THR 72 0.219 10.250 1.400 446 HG23 THR 72 2HG2 THR 72 1.990 10.440 1.348 447 H LEU 73 H LEU 73 0.696 7.852 1.215 448 HA LEU 73 HA LEU 73 3.321 6.483 0.869 449 HB3 LEU 73 2HB LEU 73 1.157 5.271 0.683 450 HG LEU 73 HG LEU 73 0.171 7.264 -0.907 451 HD11 LEU 73 1HD1 LEU 73 0.043 6.381 -3.229 452 HD12 LEU 73 2HD1 LEU 73 1.223 5.130 -2.814 453 HD13 LEU 73 3HD1 LEU 73 1.674 6.848 -2.800 454 HD21 LEU 73 3HD2 LEU 73 -0.510 4.305 -1.115 455 HD22 LEU 73 1HD2 LEU 73 -1.583 5.648 -1.581 456 HD23 LEU 73 2HD2 LEU 73 -1.132 5.427 0.116 457 H ALA 74 H ALA 74 4.447 6.484 -1.149 458 HA ALA 74 HA ALA 74 3.807 8.741 -3.013 459 HB1 ALA 74 1HB ALA 74 6.245 8.889 -3.471 460 HB2 ALA 74 2HB ALA 74 5.878 9.254 -1.773 461 HB3 ALA 74 3HB ALA 74 6.560 7.673 -2.222 462 H GLU 75 H GLU 75 3.047 7.942 -4.883 463 HA GLU 75 HA GLU 75 4.182 5.413 -5.984 464 HB3 GLU 75 2HB GLU 75 1.348 6.398 -6.501 465 HG3 GLU 75 2HG GLU 75 1.180 3.724 -6.390 466 HA PRO 76 HA PRO 76 5.629 8.870 -8.370 467 HB3 PRO 76 2HB PRO 76 7.708 7.987 -8.127 468 HG3 PRO 76 2HG PRO 76 8.073 5.638 -8.207 469 HD3 PRO 76 2HD PRO 76 6.357 5.974 -6.636 Start of MODEL 15 1 H2 PRO 6 2H PRO 6 -9.154 -4.405 -16.378 2 HA PRO 6 HA PRO 6 -7.548 -6.799 -16.377 3 HB3 PRO 6 2HB PRO 6 -5.797 -5.938 -17.774 4 HG3 PRO 6 2HG PRO 6 -7.707 -6.770 -19.008 5 HD3 PRO 6 2HD PRO 6 -9.836 -5.829 -18.653 6 H LEU 7 H LEU 7 -5.721 -6.645 -14.969 7 HA LEU 7 HA LEU 7 -5.532 -4.279 -13.192 8 HB3 LEU 7 2HB LEU 7 -7.125 -5.510 -12.041 9 HG LEU 7 HG LEU 7 -6.792 -7.782 -13.100 10 HD11 LEU 7 1HD1 LEU 7 -5.430 -9.421 -11.834 11 HD12 LEU 7 2HD1 LEU 7 -4.707 -8.098 -10.899 12 HD13 LEU 7 3HD1 LEU 7 -4.422 -8.239 -12.649 13 HD21 LEU 7 3HD2 LEU 7 -8.384 -7.327 -11.267 14 HD22 LEU 7 1HD2 LEU 7 -7.098 -7.590 -10.071 15 HD23 LEU 7 2HD2 LEU 7 -7.668 -8.932 -11.084 16 H LYS 8 H LYS 8 -3.639 -4.171 -11.882 17 HA LYS 8 HA LYS 8 -1.267 -5.608 -12.913 18 HB3 LYS 8 2HB LYS 8 -1.798 -4.396 -14.853 19 HG3 LYS 8 2HG LYS 8 -2.520 -2.097 -13.013 20 HD3 LYS 8 2HD LYS 8 -2.662 -0.741 -15.183 21 HE3 LYS 8 2HE LYS 8 0.030 -1.426 -13.911 22 HZ1 LYS 8 3HZ LYS 8 -0.766 0.847 -15.618 23 HZ2 LYS 8 1HZ LYS 8 0.432 -0.237 -15.899 24 HZ3 LYS 8 2HZ LYS 8 0.591 0.848 -14.680 25 H THR 9 H THR 9 0.740 -4.895 -12.181 26 HA THR 9 HA THR 9 0.571 -4.194 -9.347 27 HB THR 9 HB THR 9 1.762 -6.177 -10.395 28 HG1 THR 9 1HG THR 9 3.197 -6.147 -8.736 29 HG21 THR 9 3HG2 THR 9 4.084 -4.214 -10.605 30 HG22 THR 9 1HG2 THR 9 3.148 -4.757 -12.012 31 HG23 THR 9 2HG2 THR 9 4.053 -5.934 -11.045 32 H GLN 10 H GLN 10 2.174 -2.962 -8.261 33 HA GLN 10 HA GLN 10 3.399 -0.635 -9.546 34 HB3 GLN 10 2HB GLN 10 0.988 -0.407 -7.665 35 HG3 GLN 10 2HG GLN 10 2.534 1.450 -7.228 36 HE21 GLN 10 1HE2 GLN 10 4.442 2.332 -8.067 37 HE22 GLN 10 2HE2 GLN 10 4.650 2.742 -9.769 38 H GLN 11 H GLN 11 5.162 -0.047 -8.312 39 HA GLN 11 HA GLN 11 5.309 -0.977 -5.489 40 HB3 GLN 11 2HB GLN 11 7.550 0.347 -7.025 41 HG3 GLN 11 2HG GLN 11 7.734 -1.981 -5.074 42 HE21 GLN 11 1HE2 GLN 11 9.620 -1.866 -7.115 43 HE22 GLN 11 2HE2 GLN 11 11.060 -1.017 -6.546 44 H MET 12 H MET 12 5.951 0.498 -3.839 45 HA MET 12 HA MET 12 6.263 3.352 -4.395 46 HB3 MET 12 2HB MET 12 3.855 3.220 -4.091 47 HG3 MET 12 2HG MET 12 4.416 2.063 -1.330 48 HE1 MET 12 3HE MET 12 1.647 2.956 -4.096 49 HE2 MET 12 1HE MET 12 1.469 1.228 -3.711 50 HE3 MET 12 2HE MET 12 0.210 2.390 -3.231 51 H GLN 13 H GLN 13 7.140 4.503 -2.554 52 HA GLN 13 HA GLN 13 8.445 2.796 -0.471 53 HB3 GLN 13 2HB GLN 13 8.966 5.703 -1.197 54 HG3 GLN 13 2HG GLN 13 10.587 3.856 0.597 55 HE21 GLN 13 1HE2 GLN 13 12.664 4.435 -0.171 56 HE22 GLN 13 2HE2 GLN 13 13.235 6.097 -0.156 57 H VAL 14 H VAL 14 8.099 3.464 1.794 58 HA VAL 14 HA VAL 14 5.777 5.197 2.335 59 HB VAL 14 HB VAL 14 4.465 3.361 2.399 60 HG11 VAL 14 1HG1 VAL 14 5.136 1.044 3.065 61 HG12 VAL 14 2HG1 VAL 14 5.952 1.653 1.626 62 HG13 VAL 14 3HG1 VAL 14 6.814 1.624 3.172 63 HG21 VAL 14 3HG2 VAL 14 5.626 3.092 5.168 64 HG22 VAL 14 1HG2 VAL 14 4.385 4.249 4.667 65 HG23 VAL 14 2HG2 VAL 14 4.041 2.521 4.605 66 H GLY 15 H GLY 15 6.023 6.413 3.999 67 HA2 GLY 15 2HA GLY 15 8.603 6.434 5.412 68 HA3 GLY 15 3HA GLY 15 7.341 7.683 5.456 69 H GLY 16 H GLY 16 8.882 5.397 7.218 70 HA2 GLY 16 2HA GLY 16 8.738 5.126 9.481 71 HA3 GLY 16 3HA GLY 16 7.113 5.837 9.480 72 H MET 17 H MET 17 6.504 3.362 7.367 73 HA MET 17 HA MET 17 5.332 1.867 9.537 74 HB3 MET 17 2HB MET 17 4.522 2.266 7.059 75 HG3 MET 17 2HG MET 17 4.653 0.371 5.624 76 HE1 MET 17 3HE MET 17 6.439 -0.957 4.049 77 HE2 MET 17 1HE MET 17 8.165 -1.032 4.428 78 HE3 MET 17 2HE MET 17 7.004 -1.769 5.535 79 H ARG 18 H ARG 18 8.458 1.700 8.714 80 HA ARG 18 HA ARG 18 9.023 -0.976 8.182 81 HB3 ARG 18 2HB ARG 18 10.542 0.643 7.487 82 HG3 ARG 18 2HG ARG 18 10.835 1.506 10.394 83 HD3 ARG 18 2HD ARG 18 13.067 1.224 9.343 84 HE ARG 18 HE ARG 18 11.894 2.683 7.120 85 HH11 ARG 18 1HH1 ARG 18 14.971 2.231 8.860 86 HH12 ARG 18 2HH1 ARG 18 15.913 2.761 7.477 87 HH21 ARG 18 1HH2 ARG 18 13.260 3.399 5.387 88 HH22 ARG 18 2HH2 ARG 18 14.990 3.360 5.635 89 H CYS 19 H CYS 19 7.606 -1.936 9.833 90 HA CYS 19 HA CYS 19 9.268 -3.305 11.839 91 HB3 CYS 19 2HB CYS 19 6.909 -1.498 12.509 92 HG CYS 19 HG CYS 19 6.855 -2.320 14.998 93 H ALA 20 H ALA 20 8.626 -5.423 12.078 94 HA ALA 20 HA ALA 20 7.072 -6.572 10.012 95 HB1 ALA 20 1HB ALA 20 8.948 -7.648 11.278 96 HB2 ALA 20 2HB ALA 20 7.872 -7.804 12.683 97 HB3 ALA 20 3HB ALA 20 7.502 -8.673 11.180 98 H ALA 21 H ALA 21 6.006 -5.565 13.216 99 HA ALA 21 HA ALA 21 3.348 -6.796 12.973 100 HB1 ALA 21 1HB ALA 21 4.472 -6.448 15.159 101 HB2 ALA 21 2HB ALA 21 4.447 -4.687 14.893 102 HB3 ALA 21 3HB ALA 21 2.929 -5.591 15.066 103 H CYS 22 H CYS 22 4.793 -3.605 12.233 104 HA CYS 22 HA CYS 22 2.215 -2.338 11.762 105 HB3 CYS 22 2HB CYS 22 3.668 -0.452 10.953 106 HG CYS 22 HG CYS 22 2.868 -0.545 13.410 107 H ALA 23 H ALA 23 4.642 -3.868 9.612 108 HA ALA 23 HA ALA 23 3.330 -3.578 7.132 109 HB1 ALA 23 1HB ALA 23 4.674 -6.006 8.398 110 HB2 ALA 23 2HB ALA 23 4.312 -5.803 6.669 111 HB3 ALA 23 3HB ALA 23 5.459 -4.718 7.465 112 H SER 24 H SER 24 2.447 -5.656 9.957 113 HA SER 24 HA SER 24 0.279 -6.975 8.524 114 HB3 SER 24 2HB SER 24 -0.383 -7.883 10.688 115 HG SER 24 HG SER 24 1.547 -9.021 11.095 116 H SER 25 H SER 25 0.465 -3.948 10.426 117 HA SER 25 HA SER 25 -2.378 -3.598 10.598 118 HB3 SER 25 2HB SER 25 -1.977 -1.263 10.918 119 HG SER 25 HG SER 25 -1.358 -2.183 12.749 120 H ILE 26 H ILE 26 -0.062 -2.977 7.958 121 HA ILE 26 HA ILE 26 -2.090 -1.844 6.159 122 HB ILE 26 HB ILE 26 0.689 -3.003 5.713 123 HG13 ILE 26 2HG1 ILE 26 -0.570 -0.243 5.391 124 HG21 ILE 26 1HG2 ILE 26 0.481 -2.478 3.323 125 HG22 ILE 26 2HG2 ILE 26 -0.618 -3.756 3.775 126 HG23 ILE 26 3HG2 ILE 26 -1.247 -2.105 3.541 127 HD11 ILE 26 3HD1 ILE 26 1.404 0.547 6.628 128 HD12 ILE 26 1HD1 ILE 26 0.530 -0.642 7.608 129 HD13 ILE 26 2HD1 ILE 26 2.018 -1.114 6.761 130 H GLU 27 H GLU 27 -0.648 -5.125 6.420 131 HA GLU 27 HA GLU 27 -2.236 -6.159 4.321 132 HB3 GLU 27 2HB GLU 27 -1.518 -8.411 5.198 133 HG3 GLU 27 2HG GLU 27 0.748 -6.385 5.026 134 H ARG 28 H ARG 28 -2.972 -6.025 7.799 135 HA ARG 28 HA ARG 28 -4.889 -8.036 8.013 136 HB3 ARG 28 2HB ARG 28 -4.707 -5.358 9.451 137 HG3 ARG 28 2HG ARG 28 -6.214 -7.908 10.197 138 HD3 ARG 28 2HD ARG 28 -6.731 -6.748 12.330 139 HE ARG 28 HE ARG 28 -4.930 -8.338 12.458 140 HH11 ARG 28 1HH1 ARG 28 -3.764 -4.960 12.459 141 HH12 ARG 28 2HH1 ARG 28 -2.213 -5.456 13.122 142 HH21 ARG 28 1HH2 ARG 28 -2.932 -8.831 13.240 143 HH22 ARG 28 2HH2 ARG 28 -1.838 -7.558 13.713 144 H ALA 29 H ALA 29 -5.361 -4.806 6.622 145 HA ALA 29 HA ALA 29 -8.171 -5.637 5.928 146 HB1 ALA 29 1HB ALA 29 -7.071 -2.825 5.799 147 HB2 ALA 29 2HB ALA 29 -8.746 -3.353 5.638 148 HB3 ALA 29 3HB ALA 29 -7.942 -3.482 7.212 149 H LEU 30 H LEU 30 -5.026 -4.611 4.460 150 HA LEU 30 HA LEU 30 -5.953 -3.984 1.923 151 HB3 LEU 30 2HB LEU 30 -3.392 -5.425 2.688 152 HG LEU 30 HG LEU 30 -3.505 -5.423 0.253 153 HD11 LEU 30 1HD1 LEU 30 -4.060 -2.432 0.510 154 HD12 LEU 30 2HD1 LEU 30 -5.102 -3.663 -0.246 155 HD13 LEU 30 3HD1 LEU 30 -3.564 -3.235 -0.994 156 HD21 LEU 30 3HD2 LEU 30 -1.471 -4.091 -0.191 157 HD22 LEU 30 1HD2 LEU 30 -1.343 -4.949 1.356 158 HD23 LEU 30 2HD2 LEU 30 -1.705 -3.206 1.325 159 H GLU 31 H GLU 31 -5.524 -7.313 3.139 160 HA GLU 31 HA GLU 31 -6.089 -8.456 0.488 161 HB3 GLU 31 2HB GLU 31 -5.782 -10.602 1.538 162 HG3 GLU 31 2HG GLU 31 -3.701 -8.712 2.717 163 H ARG 32 H ARG 32 -8.002 -7.097 2.825 164 HA ARG 32 HA ARG 32 -10.447 -8.558 2.001 165 HB3 ARG 32 2HB ARG 32 -11.473 -7.318 3.985 166 HG3 ARG 32 2HG ARG 32 -10.109 -8.558 5.797 167 HD3 ARG 32 2HD ARG 32 -12.280 -9.365 4.823 168 HE ARG 32 HE ARG 32 -10.506 -11.155 3.181 169 HH11 ARG 32 1HH1 ARG 32 -13.644 -9.376 3.366 170 HH12 ARG 32 2HH1 ARG 32 -14.194 -10.210 1.925 171 HH21 ARG 32 1HH2 ARG 32 -11.362 -11.894 1.179 172 HH22 ARG 32 2HH2 ARG 32 -13.006 -11.446 0.772 173 H LEU 33 H LEU 33 -8.690 -5.652 1.418 174 HA LEU 33 HA LEU 33 -10.929 -3.869 0.918 175 HB3 LEU 33 2HB LEU 33 -9.208 -2.615 -0.485 176 HG LEU 33 HG LEU 33 -8.181 -3.234 2.299 177 HD11 LEU 33 1HD1 LEU 33 -7.698 -0.815 0.523 178 HD12 LEU 33 2HD1 LEU 33 -6.558 -2.153 0.715 179 HD13 LEU 33 3HD1 LEU 33 -6.971 -1.147 2.109 180 HD21 LEU 33 3HD2 LEU 33 -9.277 -1.160 3.000 181 HD22 LEU 33 1HD2 LEU 33 -10.471 -2.349 2.466 182 HD23 LEU 33 2HD2 LEU 33 -10.019 -0.991 1.396 183 H LYS 34 H LYS 34 -12.072 -3.415 -0.833 184 HA LYS 34 HA LYS 34 -12.369 -5.404 -2.942 185 HB3 LYS 34 2HB LYS 34 -14.143 -3.805 -3.715 186 HG3 LYS 34 2HG LYS 34 -14.220 -4.410 -0.717 187 HD3 LYS 34 2HD LYS 34 -16.691 -4.453 -1.077 188 HE3 LYS 34 2HE LYS 34 -17.149 -2.038 -1.265 189 HZ1 LYS 34 3HZ LYS 34 -16.140 -2.847 0.833 190 HZ2 LYS 34 1HZ LYS 34 -15.771 -1.269 0.523 191 HZ3 LYS 34 2HZ LYS 34 -14.648 -2.415 0.289 192 H GLY 35 H GLY 35 -12.286 -4.947 -5.254 193 HA2 GLY 35 2HA GLY 35 -11.398 -4.133 -7.211 194 HA3 GLY 35 3HA GLY 35 -10.937 -2.648 -6.350 195 H VAL 36 H VAL 36 -9.114 -3.300 -4.616 196 HA VAL 36 HA VAL 36 -6.711 -3.999 -6.065 197 HB VAL 36 HB VAL 36 -6.738 -2.389 -4.229 198 HG11 VAL 36 1HG1 VAL 36 -8.336 -3.511 -2.699 199 HG12 VAL 36 2HG1 VAL 36 -7.097 -4.725 -2.316 200 HG13 VAL 36 3HG1 VAL 36 -6.839 -3.018 -1.904 201 HG21 VAL 36 3HG2 VAL 36 -4.606 -3.463 -4.805 202 HG22 VAL 36 1HG2 VAL 36 -4.692 -3.044 -3.095 203 HG23 VAL 36 2HG2 VAL 36 -4.899 -4.733 -3.595 204 H ALA 37 H ALA 37 -5.421 -5.837 -5.945 205 HA ALA 37 HA ALA 37 -7.008 -8.311 -5.381 206 HB1 ALA 37 1HB ALA 37 -6.817 -7.634 -7.726 207 HB2 ALA 37 2HB ALA 37 -5.043 -7.655 -7.612 208 HB3 ALA 37 3HB ALA 37 -5.967 -9.161 -7.433 209 H GLU 38 H GLU 38 -3.497 -7.273 -5.525 210 HA GLU 38 HA GLU 38 -2.828 -9.291 -3.566 211 HB3 GLU 38 2HB GLU 38 -2.948 -10.799 -5.420 212 HG3 GLU 38 2HG GLU 38 -0.975 -8.975 -6.844 213 H ALA 39 H ALA 39 -0.889 -8.971 -2.506 214 HA ALA 39 HA ALA 39 0.845 -6.734 -3.441 215 HB1 ALA 39 1HB ALA 39 -1.202 -5.836 -2.334 216 HB2 ALA 39 2HB ALA 39 -0.812 -6.776 -0.879 217 HB3 ALA 39 3HB ALA 39 0.265 -5.466 -1.412 218 H SER 40 H SER 40 2.445 -6.153 -1.630 219 HA SER 40 HA SER 40 3.087 -8.065 0.428 220 HB3 SER 40 2HB SER 40 5.121 -7.866 -1.821 221 HG SER 40 HG SER 40 6.403 -8.805 -0.433 222 H VAL 41 H VAL 41 4.326 -7.115 2.017 223 HA VAL 41 HA VAL 41 5.217 -4.285 1.612 224 HB VAL 41 HB VAL 41 4.814 -5.736 4.272 225 HG11 VAL 41 1HG1 VAL 41 6.267 -3.786 4.443 226 HG12 VAL 41 2HG1 VAL 41 5.097 -2.795 3.540 227 HG13 VAL 41 3HG1 VAL 41 4.700 -3.409 5.158 228 HG21 VAL 41 3HG2 VAL 41 2.612 -5.635 3.154 229 HG22 VAL 41 1HG2 VAL 41 2.686 -4.476 4.480 230 HG23 VAL 41 2HG2 VAL 41 2.853 -3.910 2.807 231 H THR 42 H THR 42 7.330 -3.686 2.009 232 HA THR 42 HA THR 42 9.308 -5.748 2.920 233 HB THR 42 HB THR 42 9.735 -3.591 0.820 234 HG1 THR 42 1HG THR 42 8.622 -5.352 0.043 235 HG21 THR 42 3HG2 THR 42 11.814 -3.923 2.074 236 HG22 THR 42 1HG2 THR 42 11.944 -4.752 0.519 237 HG23 THR 42 2HG2 THR 42 11.634 -5.683 1.991 238 H VAL 43 H VAL 43 9.137 -5.143 4.998 239 HA VAL 43 HA VAL 43 9.262 -2.520 6.084 240 HB VAL 43 HB VAL 43 9.726 -5.314 7.082 241 HG11 VAL 43 1HG1 VAL 43 11.477 -4.312 8.372 242 HG12 VAL 43 2HG1 VAL 43 10.489 -2.888 8.733 243 HG13 VAL 43 3HG1 VAL 43 10.064 -4.472 9.420 244 HG21 VAL 43 3HG2 VAL 43 7.957 -2.998 7.990 245 HG22 VAL 43 1HG2 VAL 43 7.495 -4.191 6.780 246 HG23 VAL 43 2HG2 VAL 43 7.803 -4.720 8.445 247 H ALA 44 H ALA 44 11.902 -4.787 5.186 248 HA ALA 44 HA ALA 44 14.006 -3.683 6.615 249 HB1 ALA 44 1HB ALA 44 14.014 -4.981 3.846 250 HB2 ALA 44 2HB ALA 44 15.430 -4.797 4.899 251 HB3 ALA 44 3HB ALA 44 14.074 -5.822 5.410 252 H THR 45 H THR 45 12.739 -2.444 3.578 253 HA THR 45 HA THR 45 14.620 -0.118 3.690 254 HB THR 45 HB THR 45 14.410 -0.044 1.182 255 HG1 THR 45 1HG THR 45 13.919 -2.655 0.871 256 HG21 THR 45 3HG2 THR 45 16.074 -1.738 0.779 257 HG22 THR 45 1HG2 THR 45 15.627 -2.625 2.258 258 HG23 THR 45 2HG2 THR 45 16.375 -1.027 2.375 259 H GLY 46 H GLY 46 11.445 -0.905 4.172 260 HA2 GLY 46 2HA GLY 46 9.662 0.489 4.581 261 HA3 GLY 46 3HA GLY 46 10.656 1.873 4.120 262 H ARG 47 H ARG 47 9.427 -1.008 2.332 263 HA ARG 47 HA ARG 47 8.237 0.805 0.278 264 HB3 ARG 47 2HB ARG 47 9.178 -0.573 -1.511 265 HG3 ARG 47 2HG ARG 47 11.416 0.302 0.362 266 HD3 ARG 47 2HD ARG 47 12.689 0.722 -1.670 267 HE ARG 47 HE ARG 47 12.967 -1.523 -0.787 268 HH11 ARG 47 1HH1 ARG 47 10.894 -1.443 -3.671 269 HH12 ARG 47 2HH1 ARG 47 10.968 -3.180 -3.865 270 HH21 ARG 47 1HH2 ARG 47 13.196 -3.697 -1.236 271 HH22 ARG 47 2HH2 ARG 47 12.119 -4.436 -2.399 272 H LEU 48 H LEU 48 6.869 -0.358 -1.284 273 HA LEU 48 HA LEU 48 5.410 -2.722 -0.237 274 HB3 LEU 48 2HB LEU 48 3.651 -0.482 -1.070 275 HG LEU 48 HG LEU 48 3.818 -2.097 1.504 276 HD11 LEU 48 1HD1 LEU 48 1.625 -1.024 2.011 277 HD12 LEU 48 2HD1 LEU 48 1.788 -0.038 0.543 278 HD13 LEU 48 3HD1 LEU 48 2.927 0.171 1.895 279 HD21 LEU 48 3HD2 LEU 48 1.817 -2.174 -0.823 280 HD22 LEU 48 1HD2 LEU 48 1.636 -3.063 0.705 281 HD23 LEU 48 2HD2 LEU 48 2.960 -3.454 -0.386 282 H THR 49 H THR 49 4.207 -3.784 -1.807 283 HA THR 49 HA THR 49 4.234 -2.776 -4.620 284 HB THR 49 HB THR 49 4.705 -5.687 -3.898 285 HG1 THR 49 1HG THR 49 6.766 -4.336 -5.113 286 HG21 THR 49 3HG2 THR 49 3.735 -5.342 -6.133 287 HG22 THR 49 1HG2 THR 49 5.429 -5.821 -6.284 288 HG23 THR 49 2HG2 THR 49 4.969 -4.119 -6.512 289 H VAL 50 H VAL 50 2.269 -2.966 -5.567 290 HA VAL 50 HA VAL 50 0.182 -4.730 -4.416 291 HB VAL 50 HB VAL 50 0.119 -2.767 -2.980 292 HG11 VAL 50 1HG1 VAL 50 -0.486 -0.543 -3.752 293 HG12 VAL 50 2HG1 VAL 50 1.019 -1.043 -4.531 294 HG13 VAL 50 3HG1 VAL 50 -0.508 -1.078 -5.440 295 HG21 VAL 50 3HG2 VAL 50 -2.292 -2.784 -4.832 296 HG22 VAL 50 1HG2 VAL 50 -1.995 -3.948 -3.525 297 HG23 VAL 50 2HG2 VAL 50 -2.243 -2.234 -3.155 298 H THR 51 H THR 51 -1.336 -5.367 -5.757 299 HA THR 51 HA THR 51 -1.430 -4.372 -8.571 300 HB THR 51 HB THR 51 -2.077 -7.063 -7.289 301 HG1 THR 51 1HG THR 51 -0.375 -7.369 -9.188 302 HG21 THR 51 3HG2 THR 51 -2.215 -6.318 -10.258 303 HG22 THR 51 1HG2 THR 51 -3.632 -6.606 -9.233 304 HG23 THR 51 2HG2 THR 51 -2.507 -7.917 -9.543 305 H TYR 52 H TYR 52 -3.264 -3.477 -9.312 306 HA TYR 52 HA TYR 52 -5.871 -4.109 -8.085 307 HB3 TYR 52 2HB TYR 52 -5.195 -2.302 -6.689 308 HD1 TYR 52 2HD TYR 52 -5.764 -0.134 -9.672 309 HD2 TYR 52 1HD TYR 52 -2.980 -1.389 -6.627 310 HE1 TYR 52 2HE TYR 52 -4.278 1.779 -10.244 311 HE2 TYR 52 1HE TYR 52 -1.499 0.527 -7.189 312 HH TYR 52 HH TYR 52 -2.273 2.873 -9.784 313 H ASP 53 H ASP 53 -7.733 -3.274 -9.222 314 HA ASP 53 HA ASP 53 -7.428 -3.102 -12.146 315 HB3 ASP 53 2HB ASP 53 -9.803 -3.357 -10.272 316 HA PRO 54 HA PRO 54 -7.260 1.310 -11.283 317 HB3 PRO 54 2HB PRO 54 -5.565 1.308 -12.851 318 HG3 PRO 54 2HG PRO 54 -5.759 0.067 -14.895 319 HD3 PRO 54 2HD PRO 54 -6.008 -1.491 -13.137 320 H LYS 55 H LYS 55 -9.932 -0.187 -12.247 321 HA LYS 55 HA LYS 55 -11.402 2.277 -13.160 322 HB3 LYS 55 2HB LYS 55 -12.952 0.829 -14.352 323 HG3 LYS 55 2HG LYS 55 -11.623 -0.161 -16.121 324 HD3 LYS 55 2HD LYS 55 -10.193 2.391 -15.277 325 HE3 LYS 55 2HE LYS 55 -10.807 1.043 -17.942 326 HZ1 LYS 55 3HZ LYS 55 -9.588 2.871 -18.918 327 HZ2 LYS 55 1HZ LYS 55 -9.411 3.613 -17.458 328 HZ3 LYS 55 2HZ LYS 55 -10.903 3.446 -18.138 329 H GLN 56 H GLN 56 -11.560 -0.714 -11.192 330 HA GLN 56 HA GLN 56 -13.808 0.243 -9.584 331 HB3 GLN 56 2HB GLN 56 -12.609 -1.449 -7.888 332 HG3 GLN 56 2HG GLN 56 -13.701 -3.362 -8.777 333 HE21 GLN 56 1HE2 GLN 56 -14.812 -1.708 -7.036 334 HE22 GLN 56 2HE2 GLN 56 -16.260 -0.906 -7.643 335 H VAL 57 H VAL 57 -10.234 0.614 -9.347 336 HA VAL 57 HA VAL 57 -10.597 2.654 -7.248 337 HB VAL 57 HB VAL 57 -9.086 1.593 -5.652 338 HG11 VAL 57 1HG1 VAL 57 -11.416 -0.291 -6.143 339 HG12 VAL 57 2HG1 VAL 57 -10.543 -0.034 -4.632 340 HG13 VAL 57 3HG1 VAL 57 -11.521 1.279 -5.308 341 HG21 VAL 57 3HG2 VAL 57 -7.823 0.073 -7.138 342 HG22 VAL 57 1HG2 VAL 57 -8.496 -0.799 -5.758 343 HG23 VAL 57 2HG2 VAL 57 -9.267 -0.942 -7.351 344 H SER 58 H SER 58 -8.263 3.285 -6.422 345 HA SER 58 HA SER 58 -6.117 2.835 -8.398 346 HB3 SER 58 2HB SER 58 -6.894 5.630 -7.458 347 HG SER 58 HG SER 58 -4.898 5.960 -8.055 348 H GLU 59 H GLU 59 -4.095 4.162 -7.263 349 HA GLU 59 HA GLU 59 -3.411 2.912 -4.821 350 HB3 GLU 59 2HB GLU 59 -1.583 3.632 -5.908 351 HG3 GLU 59 2HG GLU 59 -2.467 5.057 -7.652 352 H ILE 60 H ILE 60 -5.272 5.871 -5.283 353 HA ILE 60 HA ILE 60 -5.542 6.961 -2.740 354 HB ILE 60 HB ILE 60 -7.443 6.382 -5.000 355 HG13 ILE 60 2HG1 ILE 60 -5.646 8.188 -5.010 356 HG21 ILE 60 1HG2 ILE 60 -8.293 7.666 -2.377 357 HG22 ILE 60 2HG2 ILE 60 -9.235 7.684 -3.885 358 HG23 ILE 60 3HG2 ILE 60 -8.929 6.156 -3.092 359 HD11 ILE 60 3HD1 ILE 60 -7.652 8.375 -6.485 360 HD12 ILE 60 1HD1 ILE 60 -8.458 9.318 -5.207 361 HD13 ILE 60 2HD1 ILE 60 -6.988 9.938 -5.964 362 H THR 61 H THR 61 -6.875 3.790 -3.713 363 HA THR 61 HA THR 61 -8.393 3.362 -1.289 364 HB THR 61 HB THR 61 -7.459 1.640 -3.591 365 HG1 THR 61 1HG THR 61 -9.148 3.043 -3.933 366 HG21 THR 61 3HG2 THR 61 -8.995 -0.138 -2.754 367 HG22 THR 61 1HG2 THR 61 -9.099 0.707 -1.191 368 HG23 THR 61 2HG2 THR 61 -7.550 0.030 -1.754 369 H ILE 62 H ILE 62 -5.017 2.673 -2.073 370 HA ILE 62 HA ILE 62 -4.683 1.312 0.581 371 HB ILE 62 HB ILE 62 -3.700 0.251 -1.426 372 HG13 ILE 62 2HG1 ILE 62 -2.868 -0.297 0.746 373 HG21 ILE 62 1HG2 ILE 62 -3.065 2.171 -2.741 374 HG22 ILE 62 2HG2 ILE 62 -1.832 2.653 -1.543 375 HG23 ILE 62 3HG2 ILE 62 -1.680 1.157 -2.491 376 HD11 ILE 62 3HD1 ILE 62 -0.388 0.141 -0.985 377 HD12 ILE 62 1HD1 ILE 62 -0.635 -1.070 0.300 378 HD13 ILE 62 2HD1 ILE 62 -1.542 -1.193 -1.218 379 H GLN 63 H GLN 63 -3.958 4.351 -1.056 380 HA GLN 63 HA GLN 63 -2.355 5.612 0.901 381 HB3 GLN 63 2HB GLN 63 -4.559 6.755 -0.850 382 HG3 GLN 63 2HG GLN 63 -2.134 8.154 0.317 383 HE21 GLN 63 1HE2 GLN 63 -5.261 9.510 -0.781 384 HE22 GLN 63 2HE2 GLN 63 -4.587 10.286 -2.223 385 H GLU 64 H GLU 64 -5.996 5.596 0.699 386 HA GLU 64 HA GLU 64 -6.284 6.934 3.186 387 HB3 GLU 64 2HB GLU 64 -8.059 6.797 1.457 388 HG3 GLU 64 2HG GLU 64 -8.123 3.906 2.276 389 H ARG 65 H ARG 65 -5.062 3.838 2.811 390 HA ARG 65 HA ARG 65 -5.771 3.100 5.610 391 HB3 ARG 65 2HB ARG 65 -4.249 1.413 3.568 392 HG3 ARG 65 2HG ARG 65 -5.115 1.138 6.448 393 HD3 ARG 65 2HD ARG 65 -4.483 -1.319 4.802 394 HE ARG 65 HE ARG 65 -4.316 -1.958 7.057 395 HH11 ARG 65 1HH1 ARG 65 -7.332 -0.064 6.734 396 HH12 ARG 65 2HH1 ARG 65 -7.693 -0.259 8.426 397 HH21 ARG 65 1HH2 ARG 65 -4.839 -2.154 9.119 398 HH22 ARG 65 2HH2 ARG 65 -6.269 -1.429 9.805 399 H ILE 66 H ILE 66 -2.879 3.539 3.474 400 HA ILE 66 HA ILE 66 -0.957 3.304 5.600 401 HB ILE 66 HB ILE 66 -0.732 4.811 2.963 402 HG13 ILE 66 2HG1 ILE 66 -1.201 2.168 3.032 403 HG21 ILE 66 1HG2 ILE 66 1.755 4.465 3.287 404 HG22 ILE 66 2HG2 ILE 66 1.055 5.524 4.506 405 HG23 ILE 66 3HG2 ILE 66 1.422 3.827 4.903 406 HD11 ILE 66 3HD1 ILE 66 0.318 1.827 1.101 407 HD12 ILE 66 1HD1 ILE 66 -0.687 3.276 0.953 408 HD13 ILE 66 2HD1 ILE 66 1.040 3.415 1.387 409 H ALA 67 H ALA 67 -2.552 6.257 4.311 410 HA ALA 67 HA ALA 67 -1.201 8.068 6.066 411 HB1 ALA 67 1HB ALA 67 -3.054 9.597 5.419 412 HB2 ALA 67 2HB ALA 67 -2.366 8.761 4.014 413 HB3 ALA 67 3HB ALA 67 -3.927 8.239 4.687 414 H ALA 68 H ALA 68 -4.209 6.163 6.431 415 HA ALA 68 HA ALA 68 -5.128 7.386 8.881 416 HB1 ALA 68 1HB ALA 68 -6.595 6.289 7.221 417 HB2 ALA 68 2HB ALA 68 -5.836 4.719 7.565 418 HB3 ALA 68 3HB ALA 68 -6.768 5.550 8.823 419 H LEU 69 H LEU 69 -2.993 4.664 8.204 420 HA LEU 69 HA LEU 69 -2.749 3.780 10.998 421 HB3 LEU 69 2HB LEU 69 -0.843 2.470 10.003 422 HG LEU 69 HG LEU 69 -3.520 2.216 8.553 423 HD11 LEU 69 1HD1 LEU 69 -1.215 0.254 8.798 424 HD12 LEU 69 2HD1 LEU 69 -1.649 1.158 7.329 425 HD13 LEU 69 3HD1 LEU 69 -2.774 -0.036 7.994 426 HD21 LEU 69 3HD2 LEU 69 -3.889 1.904 10.913 427 HD22 LEU 69 1HD2 LEU 69 -2.428 0.911 11.075 428 HD23 LEU 69 2HD2 LEU 69 -3.837 0.305 10.173 429 H GLY 70 H GLY 70 -1.850 6.636 9.605 430 HA2 GLY 70 2HA GLY 70 -0.736 8.362 10.662 431 HA3 GLY 70 3HA GLY 70 0.034 7.205 11.781 432 H TYR 71 H TYR 71 0.467 6.132 8.628 433 HA TYR 71 HA TYR 71 3.261 7.147 8.523 434 HB3 TYR 71 2HB TYR 71 3.589 5.280 6.960 435 HD1 TYR 71 1HD TYR 71 4.522 5.524 9.600 436 HD2 TYR 71 2HD TYR 71 1.278 3.055 8.200 437 HE1 TYR 71 1HE TYR 71 4.688 4.145 11.660 438 HE2 TYR 71 2HE TYR 71 1.452 1.659 10.251 439 HH TYR 71 HH TYR 71 2.444 1.407 12.296 440 H THR 72 H THR 72 3.889 7.142 5.947 441 HA THR 72 HA THR 72 1.942 8.773 4.398 442 HB THR 72 HB THR 72 3.945 10.173 3.621 443 HG1 THR 72 1HG THR 72 5.738 9.304 4.338 444 HG21 THR 72 3HG2 THR 72 2.264 11.103 5.162 445 HG22 THR 72 1HG2 THR 72 3.887 11.719 5.504 446 HG23 THR 72 2HG2 THR 72 3.173 10.474 6.552 447 H LEU 73 H LEU 73 2.691 8.835 2.003 448 HA LEU 73 HA LEU 73 4.303 6.426 1.343 449 HB3 LEU 73 2HB LEU 73 1.752 5.963 1.424 450 HG LEU 73 HG LEU 73 1.943 7.005 -1.435 451 HD11 LEU 73 1HD1 LEU 73 -0.306 5.642 0.087 452 HD12 LEU 73 2HD1 LEU 73 0.692 4.913 -1.184 453 HD13 LEU 73 3HD1 LEU 73 -0.398 6.244 -1.584 454 HD21 LEU 73 3HD2 LEU 73 0.273 8.082 0.882 455 HD22 LEU 73 1HD2 LEU 73 0.016 8.492 -0.833 456 HD23 LEU 73 2HD2 LEU 73 1.517 8.950 -0.049 457 H ALA 74 H ALA 74 4.914 6.199 -0.835 458 HA ALA 74 HA ALA 74 5.052 8.666 -2.493 459 HB1 ALA 74 1HB ALA 74 7.352 7.065 -1.333 460 HB2 ALA 74 2HB ALA 74 7.544 8.222 -2.665 461 HB3 ALA 74 3HB ALA 74 6.989 8.772 -1.072 462 H GLU 75 H GLU 75 3.495 7.545 -3.710 463 HA GLU 75 HA GLU 75 4.369 5.275 -5.400 464 HB3 GLU 75 2HB GLU 75 1.726 6.792 -5.415 465 HG3 GLU 75 2HG GLU 75 0.940 4.507 -6.259 466 HA PRO 76 HA PRO 76 6.437 8.656 -7.103 467 HB3 PRO 76 2HB PRO 76 8.113 7.939 -8.571 468 HG3 PRO 76 2HG PRO 76 8.100 6.168 -7.022 469 HD3 PRO 76 2HD PRO 76 6.147 5.219 -6.315 Start of MODEL 16 1 H2 PRO 6 2H PRO 6 -7.573 -2.541 -16.628 2 HA PRO 6 HA PRO 6 -8.204 -5.269 -15.818 3 HB3 PRO 6 2HB PRO 6 -6.633 -6.096 -17.356 4 HG3 PRO 6 2HG PRO 6 -8.160 -5.440 -19.003 5 HD3 PRO 6 2HD PRO 6 -9.673 -4.277 -17.733 6 H LEU 7 H LEU 7 -6.495 -6.225 -14.479 7 HA LEU 7 HA LEU 7 -5.488 -4.214 -12.598 8 HB3 LEU 7 2HB LEU 7 -6.860 -5.960 -11.743 9 HG LEU 7 HG LEU 7 -5.808 -7.799 -13.454 10 HD11 LEU 7 1HD1 LEU 7 -4.421 -8.400 -10.807 11 HD12 LEU 7 2HD1 LEU 7 -3.580 -7.832 -12.268 12 HD13 LEU 7 3HD1 LEU 7 -4.407 -9.395 -12.270 13 HD21 LEU 7 3HD2 LEU 7 -6.867 -9.522 -12.013 14 HD22 LEU 7 1HD2 LEU 7 -7.866 -8.066 -12.186 15 HD23 LEU 7 2HD2 LEU 7 -6.948 -8.334 -10.691 16 H LYS 8 H LYS 8 -3.433 -4.027 -11.848 17 HA LYS 8 HA LYS 8 -1.218 -5.429 -13.171 18 HB3 LYS 8 2HB LYS 8 -1.894 -3.677 -14.823 19 HG3 LYS 8 2HG LYS 8 -1.044 -1.775 -12.618 20 HD3 LYS 8 2HD LYS 8 -1.928 -1.041 -15.413 21 HE3 LYS 8 2HE LYS 8 -2.378 0.638 -13.601 22 HZ1 LYS 8 3HZ LYS 8 -0.653 0.327 -12.046 23 HZ2 LYS 8 1HZ LYS 8 -0.282 1.765 -12.772 24 HZ3 LYS 8 2HZ LYS 8 0.545 0.424 -13.172 25 H THR 9 H THR 9 0.785 -5.238 -12.241 26 HA THR 9 HA THR 9 0.827 -4.650 -9.395 27 HB THR 9 HB THR 9 1.991 -6.566 -10.446 28 HG1 THR 9 1HG THR 9 3.206 -6.496 -8.784 29 HG21 THR 9 3HG2 THR 9 4.021 -4.469 -11.367 30 HG22 THR 9 1HG2 THR 9 3.015 -5.469 -12.428 31 HG23 THR 9 2HG2 THR 9 4.232 -6.229 -11.395 32 H GLN 10 H GLN 10 2.396 -3.328 -8.320 33 HA GLN 10 HA GLN 10 3.901 -1.271 -9.627 34 HB3 GLN 10 2HB GLN 10 1.434 -0.423 -8.022 35 HG3 GLN 10 2HG GLN 10 3.243 1.198 -7.707 36 HE21 GLN 10 1HE2 GLN 10 5.281 1.818 -8.451 37 HE22 GLN 10 2HE2 GLN 10 5.716 1.806 -10.156 38 H GLN 11 H GLN 11 5.577 -0.743 -8.233 39 HA GLN 11 HA GLN 11 5.125 -1.172 -5.321 40 HB3 GLN 11 2HB GLN 11 6.851 -2.686 -6.150 41 HG3 GLN 11 2HG GLN 11 8.353 -0.165 -6.936 42 HE21 GLN 11 1HE2 GLN 11 9.200 -3.615 -7.472 43 HE22 GLN 11 2HE2 GLN 11 10.757 -3.481 -6.702 44 H MET 12 H MET 12 6.150 0.306 -3.847 45 HA MET 12 HA MET 12 6.525 3.083 -4.815 46 HB3 MET 12 2HB MET 12 4.073 2.696 -4.621 47 HG3 MET 12 2HG MET 12 4.653 2.265 -1.645 48 HE1 MET 12 3HE MET 12 0.466 1.695 -3.484 49 HE2 MET 12 1HE MET 12 1.868 2.022 -4.523 50 HE3 MET 12 2HE MET 12 1.818 0.544 -3.533 51 H GLN 13 H GLN 13 6.940 4.594 -3.035 52 HA GLN 13 HA GLN 13 8.387 3.344 -0.751 53 HB3 GLN 13 2HB GLN 13 9.290 5.699 -0.436 54 HG3 GLN 13 2HG GLN 13 9.930 4.376 -3.117 55 HE21 GLN 13 1HE2 GLN 13 11.694 5.833 -0.294 56 HE22 GLN 13 2HE2 GLN 13 12.741 6.821 -1.287 57 H VAL 14 H VAL 14 7.931 4.170 1.358 58 HA VAL 14 HA VAL 14 5.355 5.502 1.903 59 HB VAL 14 HB VAL 14 5.787 2.506 2.303 60 HG11 VAL 14 1HG1 VAL 14 3.628 2.505 3.639 61 HG12 VAL 14 2HG1 VAL 14 4.986 3.217 4.495 62 HG13 VAL 14 3HG1 VAL 14 3.760 4.271 3.761 63 HG21 VAL 14 3HG2 VAL 14 4.635 3.069 0.264 64 HG22 VAL 14 1HG2 VAL 14 3.492 2.345 1.373 65 HG23 VAL 14 2HG2 VAL 14 3.486 4.105 1.139 66 H GLY 15 H GLY 15 5.110 5.958 4.189 67 HA2 GLY 15 2HA GLY 15 7.471 6.671 5.611 68 HA3 GLY 15 3HA GLY 15 5.851 6.578 6.299 69 H GLY 16 H GLY 16 7.458 6.032 8.103 70 HA2 GLY 16 2HA GLY 16 9.104 3.730 8.033 71 HA3 GLY 16 3HA GLY 16 8.713 4.686 9.466 72 H MET 17 H MET 17 7.234 2.187 7.357 73 HA MET 17 HA MET 17 5.507 1.078 9.356 74 HB3 MET 17 2HB MET 17 5.411 -0.892 7.798 75 HG3 MET 17 2HG MET 17 5.212 1.796 6.386 76 HE1 MET 17 3HE MET 17 5.161 -0.413 3.239 77 HE2 MET 17 1HE MET 17 5.934 0.908 4.142 78 HE3 MET 17 2HE MET 17 6.214 -0.784 4.613 79 H ARG 18 H ARG 18 8.935 0.499 8.786 80 HA ARG 18 HA ARG 18 8.993 -1.824 10.614 81 HB3 ARG 18 2HB ARG 18 11.536 -1.611 10.210 82 HG3 ARG 18 2HG ARG 18 11.393 -2.383 7.805 83 HD3 ARG 18 2HD ARG 18 9.719 -4.308 8.311 84 HE ARG 18 HE ARG 18 12.365 -4.123 8.896 85 HH11 ARG 18 1HH1 ARG 18 9.756 -5.826 10.652 86 HH12 ARG 18 2HH1 ARG 18 10.808 -7.187 10.960 87 HH21 ARG 18 1HH2 ARG 18 13.572 -5.752 9.395 88 HH22 ARG 18 2HH2 ARG 18 13.017 -7.107 10.367 89 H CYS 19 H CYS 19 10.618 -1.870 12.297 90 HA CYS 19 HA CYS 19 11.196 -1.393 14.419 91 HB3 CYS 19 2HB CYS 19 11.729 0.849 15.169 92 HG CYS 19 HG CYS 19 13.478 -0.559 13.724 93 H ALA 20 H ALA 20 8.742 -2.153 13.609 94 HA ALA 20 HA ALA 20 6.809 -1.895 15.614 95 HB1 ALA 20 1HB ALA 20 6.407 0.020 13.261 96 HB2 ALA 20 2HB ALA 20 5.129 -0.450 14.401 97 HB3 ALA 20 3HB ALA 20 6.524 0.451 14.985 98 H ALA 21 H ALA 21 4.674 -2.843 14.862 99 HA ALA 21 HA ALA 21 5.134 -5.023 12.963 100 HB1 ALA 21 1HB ALA 21 2.719 -4.320 14.691 101 HB2 ALA 21 2HB ALA 21 3.015 -5.866 13.872 102 HB3 ALA 21 3HB ALA 21 4.080 -5.353 15.189 103 H CYS 22 H CYS 22 4.373 -1.963 12.160 104 HA CYS 22 HA CYS 22 1.763 -2.033 11.173 105 HB3 CYS 22 2HB CYS 22 2.445 0.084 9.992 106 HG CYS 22 HG CYS 22 3.312 1.511 12.119 107 H ALA 23 H ALA 23 4.616 -3.179 9.432 108 HA ALA 23 HA ALA 23 3.491 -3.386 6.825 109 HB1 ALA 23 1HB ALA 23 5.223 -5.171 6.584 110 HB2 ALA 23 2HB ALA 23 5.887 -3.710 7.338 111 HB3 ALA 23 3HB ALA 23 5.502 -5.136 8.333 112 H SER 24 H SER 24 2.875 -5.290 9.769 113 HA SER 24 HA SER 24 1.310 -7.337 8.319 114 HB3 SER 24 2HB SER 24 0.770 -8.151 10.556 115 HG SER 24 HG SER 24 3.154 -8.239 11.279 116 H SER 25 H SER 25 0.656 -4.403 10.318 117 HA SER 25 HA SER 25 -2.164 -4.632 10.358 118 HB3 SER 25 2HB SER 25 -2.227 -2.337 11.022 119 HG SER 25 HG SER 25 -0.797 -2.378 12.721 120 H ILE 26 H ILE 26 -0.127 -2.872 7.940 121 HA ILE 26 HA ILE 26 -2.441 -2.204 6.279 122 HB ILE 26 HB ILE 26 0.548 -2.269 5.802 123 HG13 ILE 26 2HG1 ILE 26 -1.569 -0.098 5.925 124 HG21 ILE 26 1HG2 ILE 26 -0.329 -3.074 3.675 125 HG22 ILE 26 2HG2 ILE 26 -1.537 -1.760 3.645 126 HG23 ILE 26 3HG2 ILE 26 0.204 -1.417 3.516 127 HD11 ILE 26 3HD1 ILE 26 -0.212 -0.472 7.981 128 HD12 ILE 26 1HD1 ILE 26 1.274 -0.258 7.025 129 HD13 ILE 26 2HD1 ILE 26 0.161 1.105 7.215 130 H GLU 27 H GLU 27 -0.101 -4.944 6.083 131 HA GLU 27 HA GLU 27 -1.239 -5.911 3.663 132 HB3 GLU 27 2HB GLU 27 0.323 -7.585 5.652 133 HG3 GLU 27 2HG GLU 27 0.477 -7.358 2.605 134 H ARG 28 H ARG 28 -2.074 -6.640 7.043 135 HA ARG 28 HA ARG 28 -3.759 -8.919 6.485 136 HB3 ARG 28 2HB ARG 28 -3.747 -6.932 8.787 137 HG3 ARG 28 2HG ARG 28 -4.800 -9.793 8.598 138 HD3 ARG 28 2HD ARG 28 -3.547 -9.558 10.673 139 HE ARG 28 HE ARG 28 -5.234 -7.139 11.249 140 HH11 ARG 28 1HH1 ARG 28 -2.110 -8.776 11.808 141 HH12 ARG 28 2HH1 ARG 28 -1.527 -7.437 12.746 142 HH21 ARG 28 1HH2 ARG 28 -4.397 -5.494 12.331 143 HH22 ARG 28 2HH2 ARG 28 -2.793 -5.569 13.024 144 H ALA 29 H ALA 29 -4.320 -5.410 6.375 145 HA ALA 29 HA ALA 29 -7.231 -5.737 5.987 146 HB1 ALA 29 1HB ALA 29 -7.228 -3.292 5.966 147 HB2 ALA 29 2HB ALA 29 -6.414 -3.937 7.411 148 HB3 ALA 29 3HB ALA 29 -5.450 -3.276 6.063 149 H LEU 30 H LEU 30 -4.386 -5.128 3.953 150 HA LEU 30 HA LEU 30 -5.617 -3.751 1.890 151 HB3 LEU 30 2HB LEU 30 -3.283 -5.704 1.727 152 HG LEU 30 HG LEU 30 -3.559 -4.871 -0.496 153 HD11 LEU 30 1HD1 LEU 30 -5.120 -3.026 -0.235 154 HD12 LEU 30 2HD1 LEU 30 -3.650 -2.384 -0.977 155 HD13 LEU 30 3HD1 LEU 30 -3.957 -2.111 0.753 156 HD21 LEU 30 3HD2 LEU 30 -1.497 -3.580 -0.753 157 HD22 LEU 30 1HD2 LEU 30 -1.274 -4.732 0.583 158 HD23 LEU 30 2HD2 LEU 30 -1.581 -3.023 0.930 159 H GLU 31 H GLU 31 -5.652 -7.253 2.305 160 HA GLU 31 HA GLU 31 -7.109 -7.798 -0.158 161 HB3 GLU 31 2HB GLU 31 -5.690 -9.489 0.680 162 HG3 GLU 31 2HG GLU 31 -7.392 -9.843 3.175 163 H ARG 32 H ARG 32 -8.078 -6.417 2.800 164 HA ARG 32 HA ARG 32 -10.836 -7.436 2.676 165 HB3 ARG 32 2HB ARG 32 -11.205 -6.343 4.758 166 HG3 ARG 32 2HG ARG 32 -8.368 -7.458 4.910 167 HD3 ARG 32 2HD ARG 32 -9.277 -6.229 6.937 168 HE ARG 32 HE ARG 32 -11.522 -6.746 7.260 169 HH11 ARG 32 1HH1 ARG 32 -9.665 -9.760 7.256 170 HH12 ARG 32 2HH1 ARG 32 -11.031 -10.718 7.755 171 HH21 ARG 32 1HH2 ARG 32 -13.300 -8.039 7.631 172 HH22 ARG 32 2HH2 ARG 32 -13.097 -9.758 7.855 173 H LEU 33 H LEU 33 -9.007 -4.623 1.696 174 HA LEU 33 HA LEU 33 -11.157 -2.749 1.466 175 HB3 LEU 33 2HB LEU 33 -9.647 -1.470 0.085 176 HG LEU 33 HG LEU 33 -7.865 -2.927 2.066 177 HD11 LEU 33 1HD1 LEU 33 -6.542 -0.906 2.082 178 HD12 LEU 33 2HD1 LEU 33 -7.696 -0.094 1.006 179 HD13 LEU 33 3HD1 LEU 33 -6.730 -1.458 0.407 180 HD21 LEU 33 3HD2 LEU 33 -8.425 -1.128 3.684 181 HD22 LEU 33 1HD2 LEU 33 -9.840 -2.114 3.300 182 HD23 LEU 33 2HD2 LEU 33 -9.651 -0.506 2.561 183 H LYS 34 H LYS 34 -10.935 -5.583 -0.275 184 HA LYS 34 HA LYS 34 -12.079 -6.495 -1.980 185 HB3 LYS 34 2HB LYS 34 -14.400 -5.554 -2.370 186 HG3 LYS 34 2HG LYS 34 -13.514 -5.981 0.505 187 HD3 LYS 34 2HD LYS 34 -16.253 -6.406 -0.753 188 HE3 LYS 34 2HE LYS 34 -16.966 -6.644 1.612 189 HZ1 LYS 34 3HZ LYS 34 -14.782 -8.579 1.083 190 HZ2 LYS 34 1HZ LYS 34 -16.247 -8.660 0.375 191 HZ3 LYS 34 2HZ LYS 34 -16.119 -8.797 2.019 192 H GLY 35 H GLY 35 -10.321 -3.976 -2.736 193 HA2 GLY 35 2HA GLY 35 -11.123 -3.969 -5.649 194 HA3 GLY 35 3HA GLY 35 -10.408 -2.594 -4.799 195 H VAL 36 H VAL 36 -8.655 -5.057 -3.569 196 HA VAL 36 HA VAL 36 -6.469 -4.604 -5.571 197 HB VAL 36 HB VAL 36 -6.356 -4.999 -2.557 198 HG11 VAL 36 1HG1 VAL 36 -4.060 -4.705 -4.519 199 HG12 VAL 36 2HG1 VAL 36 -3.937 -4.661 -2.748 200 HG13 VAL 36 3HG1 VAL 36 -4.435 -6.148 -3.546 201 HG21 VAL 36 3HG2 VAL 36 -5.365 -2.706 -2.606 202 HG22 VAL 36 1HG2 VAL 36 -5.667 -2.626 -4.347 203 HG23 VAL 36 2HG2 VAL 36 -7.024 -2.725 -3.205 204 H ALA 37 H ALA 37 -5.702 -6.267 -6.587 205 HA ALA 37 HA ALA 37 -6.889 -8.923 -6.159 206 HB1 ALA 37 1HB ALA 37 -6.917 -7.785 -8.354 207 HB2 ALA 37 2HB ALA 37 -5.138 -7.748 -8.368 208 HB3 ALA 37 3HB ALA 37 -5.997 -9.300 -8.436 209 H GLU 38 H GLU 38 -3.809 -7.438 -5.455 210 HA GLU 38 HA GLU 38 -2.739 -9.812 -4.251 211 HB3 GLU 38 2HB GLU 38 -0.800 -9.046 -6.335 212 HG3 GLU 38 2HG GLU 38 -0.886 -11.482 -6.841 213 H ALA 39 H ALA 39 -0.705 -9.326 -3.106 214 HA ALA 39 HA ALA 39 0.525 -6.751 -3.271 215 HB1 ALA 39 1HB ALA 39 -1.614 -6.010 -2.220 216 HB2 ALA 39 2HB ALA 39 -1.327 -7.134 -0.876 217 HB3 ALA 39 3HB ALA 39 -0.218 -5.771 -1.166 218 H SER 40 H SER 40 2.197 -6.354 -1.839 219 HA SER 40 HA SER 40 3.009 -8.344 0.215 220 HB3 SER 40 2HB SER 40 5.304 -8.426 -0.742 221 HG SER 40 HG SER 40 3.458 -9.294 -2.761 222 H VAL 41 H VAL 41 3.439 -7.017 2.022 223 HA VAL 41 HA VAL 41 4.630 -4.323 1.529 224 HB VAL 41 HB VAL 41 4.143 -5.578 4.272 225 HG11 VAL 41 1HG1 VAL 41 4.884 -2.789 3.283 226 HG12 VAL 41 2HG1 VAL 41 4.412 -3.164 4.938 227 HG13 VAL 41 3HG1 VAL 41 5.890 -3.867 4.277 228 HG21 VAL 41 3HG2 VAL 41 2.197 -4.085 4.395 229 HG22 VAL 41 1HG2 VAL 41 2.483 -3.503 2.751 230 HG23 VAL 41 2HG2 VAL 41 1.988 -5.175 3.012 231 H THR 42 H THR 42 6.744 -4.010 1.426 232 HA THR 42 HA THR 42 8.526 -6.350 1.448 233 HB THR 42 HB THR 42 9.045 -3.475 0.605 234 HG1 THR 42 1HG THR 42 8.123 -5.802 -0.737 235 HG21 THR 42 3HG2 THR 42 10.822 -4.497 -0.783 236 HG22 THR 42 1HG2 THR 42 10.470 -6.084 -0.068 237 HG23 THR 42 2HG2 THR 42 11.127 -4.774 0.937 238 H VAL 43 H VAL 43 9.041 -6.874 3.458 239 HA VAL 43 HA VAL 43 9.198 -4.976 5.589 240 HB VAL 43 HB VAL 43 9.744 -7.945 5.357 241 HG11 VAL 43 1HG1 VAL 43 9.767 -6.403 7.967 242 HG12 VAL 43 2HG1 VAL 43 9.783 -8.161 7.790 243 HG13 VAL 43 3HG1 VAL 43 11.177 -7.223 7.248 244 HG21 VAL 43 3HG2 VAL 43 7.407 -7.114 5.182 245 HG22 VAL 43 1HG2 VAL 43 7.623 -8.010 6.691 246 HG23 VAL 43 2HG2 VAL 43 7.601 -6.227 6.702 247 H ALA 44 H ALA 44 11.820 -6.445 3.639 248 HA ALA 44 HA ALA 44 13.976 -5.908 5.381 249 HB1 ALA 44 1HB ALA 44 14.116 -7.369 3.428 250 HB2 ALA 44 2HB ALA 44 13.884 -5.993 2.327 251 HB3 ALA 44 3HB ALA 44 15.349 -6.109 3.326 252 H THR 45 H THR 45 13.106 -3.889 2.534 253 HA THR 45 HA THR 45 14.630 -1.579 3.470 254 HB THR 45 HB THR 45 13.661 -0.594 1.323 255 HG1 THR 45 1HG THR 45 12.777 -2.369 -0.047 256 HG21 THR 45 3HG2 THR 45 15.876 -1.740 1.391 257 HG22 THR 45 1HG2 THR 45 15.047 -1.956 -0.157 258 HG23 THR 45 2HG2 THR 45 15.080 -3.285 1.023 259 H GLY 46 H GLY 46 11.293 -2.595 3.610 260 HA2 GLY 46 2HA GLY 46 9.457 -1.673 4.646 261 HA3 GLY 46 3HA GLY 46 10.399 -0.275 5.161 262 H ARG 47 H ARG 47 9.143 -1.898 2.295 263 HA ARG 47 HA ARG 47 8.125 0.613 1.054 264 HB3 ARG 47 2HB ARG 47 8.834 -0.278 -1.192 265 HG3 ARG 47 2HG ARG 47 11.235 0.136 0.613 266 HD3 ARG 47 2HD ARG 47 10.630 1.051 -2.229 267 HE ARG 47 HE ARG 47 12.929 1.469 -0.388 268 HH11 ARG 47 1HH1 ARG 47 11.790 1.983 -3.768 269 HH12 ARG 47 2HH1 ARG 47 13.017 3.225 -3.966 270 HH21 ARG 47 1HH2 ARG 47 14.337 3.006 -0.807 271 HH22 ARG 47 2HH2 ARG 47 14.388 3.797 -2.376 272 H LEU 48 H LEU 48 6.781 -0.390 -1.097 273 HA LEU 48 HA LEU 48 5.124 -2.666 -0.119 274 HB3 LEU 48 2HB LEU 48 3.547 -0.342 -1.083 275 HG LEU 48 HG LEU 48 3.419 -1.906 1.517 276 HD11 LEU 48 1HD1 LEU 48 1.099 -0.891 1.577 277 HD12 LEU 48 2HD1 LEU 48 1.559 0.095 0.178 278 HD13 LEU 48 3HD1 LEU 48 2.412 0.289 1.731 279 HD21 LEU 48 3HD2 LEU 48 1.798 -2.223 -1.064 280 HD22 LEU 48 1HD2 LEU 48 1.350 -2.955 0.492 281 HD23 LEU 48 2HD2 LEU 48 2.841 -3.440 -0.295 282 H THR 49 H THR 49 4.117 -3.817 -1.680 283 HA THR 49 HA THR 49 4.161 -2.889 -4.519 284 HB THR 49 HB THR 49 4.849 -5.701 -3.597 285 HG1 THR 49 1HG THR 49 6.892 -5.031 -4.603 286 HG21 THR 49 3HG2 THR 49 3.725 -5.653 -5.811 287 HG22 THR 49 1HG2 THR 49 5.439 -6.013 -6.003 288 HG23 THR 49 2HG2 THR 49 4.840 -4.383 -6.363 289 H VAL 50 H VAL 50 2.292 -3.190 -5.553 290 HA VAL 50 HA VAL 50 0.110 -4.807 -4.351 291 HB VAL 50 HB VAL 50 0.146 -2.617 -3.175 292 HG11 VAL 50 1HG1 VAL 50 -0.513 -0.551 -4.265 293 HG12 VAL 50 2HG1 VAL 50 0.979 -1.156 -5.002 294 HG13 VAL 50 3HG1 VAL 50 -0.570 -1.341 -5.848 295 HG21 VAL 50 3HG2 VAL 50 -2.314 -3.020 -4.914 296 HG22 VAL 50 1HG2 VAL 50 -1.928 -3.858 -3.392 297 HG23 VAL 50 2HG2 VAL 50 -2.233 -2.113 -3.395 298 H THR 51 H THR 51 -1.476 -5.440 -5.755 299 HA THR 51 HA THR 51 -1.301 -4.558 -8.613 300 HB THR 51 HB THR 51 -2.109 -7.266 -7.507 301 HG1 THR 51 1HG THR 51 -0.150 -7.862 -8.680 302 HG21 THR 51 3HG2 THR 51 -3.245 -6.664 -9.681 303 HG22 THR 51 1HG2 THR 51 -2.127 -8.027 -9.821 304 HG23 THR 51 2HG2 THR 51 -1.647 -6.427 -10.406 305 H TYR 52 H TYR 52 -3.028 -3.422 -9.242 306 HA TYR 52 HA TYR 52 -5.746 -4.169 -8.380 307 HB3 TYR 52 2HB TYR 52 -4.940 -2.651 -6.604 308 HD1 TYR 52 1HD TYR 52 -6.063 -0.156 -9.166 309 HD2 TYR 52 2HD TYR 52 -2.891 -1.395 -6.527 310 HE1 TYR 52 1HE TYR 52 -4.961 2.032 -9.481 311 HE2 TYR 52 2HE TYR 52 -1.796 0.825 -6.805 312 HH TYR 52 HH TYR 52 -2.044 2.976 -7.643 313 H ASP 53 H ASP 53 -7.423 -2.616 -9.404 314 HA ASP 53 HA ASP 53 -6.791 -2.326 -12.283 315 HB3 ASP 53 2HB ASP 53 -9.406 -2.691 -10.796 316 HA PRO 54 HA PRO 54 -6.899 2.072 -11.116 317 HB3 PRO 54 2HB PRO 54 -5.555 3.191 -12.674 318 HG3 PRO 54 2HG PRO 54 -4.351 1.182 -12.169 319 HD3 PRO 54 2HD PRO 54 -5.296 -0.923 -12.572 320 H LYS 55 H LYS 55 -9.378 0.562 -12.519 321 HA LYS 55 HA LYS 55 -10.871 3.115 -13.094 322 HB3 LYS 55 2HB LYS 55 -12.340 1.886 -14.592 323 HG3 LYS 55 2HG LYS 55 -10.180 3.034 -15.487 324 HD3 LYS 55 2HD LYS 55 -9.253 0.246 -15.301 325 HE3 LYS 55 2HE LYS 55 -8.264 0.084 -17.533 326 HZ1 LYS 55 3HZ LYS 55 -11.165 0.479 -17.976 327 HZ2 LYS 55 1HZ LYS 55 -10.608 -0.802 -17.115 328 HZ3 LYS 55 2HZ LYS 55 -10.198 -0.592 -18.699 329 H GLN 56 H GLN 56 -11.159 -0.313 -12.041 330 HA GLN 56 HA GLN 56 -13.614 0.105 -10.596 331 HB3 GLN 56 2HB GLN 56 -13.009 -1.966 -9.377 332 HG3 GLN 56 2HG GLN 56 -12.369 -2.261 -12.346 333 HE21 GLN 56 1HE2 GLN 56 -14.798 -3.822 -10.224 334 HE22 GLN 56 2HE2 GLN 56 -14.052 -5.429 -10.323 335 H VAL 57 H VAL 57 -10.221 0.701 -9.650 336 HA VAL 57 HA VAL 57 -11.184 2.430 -7.487 337 HB VAL 57 HB VAL 57 -9.620 1.605 -5.799 338 HG11 VAL 57 1HG1 VAL 57 -10.826 -0.289 -4.972 339 HG12 VAL 57 2HG1 VAL 57 -11.971 0.837 -5.714 340 HG13 VAL 57 3HG1 VAL 57 -11.497 -0.654 -6.570 341 HG21 VAL 57 3HG2 VAL 57 -8.561 -0.620 -5.949 342 HG22 VAL 57 1HG2 VAL 57 -9.169 -0.828 -7.603 343 HG23 VAL 57 2HG2 VAL 57 -7.966 0.427 -7.242 344 H SER 58 H SER 58 -8.800 3.266 -6.387 345 HA SER 58 HA SER 58 -6.724 3.446 -8.450 346 HB3 SER 58 2HB SER 58 -8.325 5.376 -8.911 347 HG SER 58 HG SER 58 -8.862 6.092 -6.901 348 H GLU 59 H GLU 59 -4.979 5.142 -7.393 349 HA GLU 59 HA GLU 59 -3.757 4.109 -5.146 350 HB3 GLU 59 2HB GLU 59 -2.785 5.766 -6.661 351 HG3 GLU 59 2HG GLU 59 -4.475 7.866 -5.221 352 H ILE 60 H ILE 60 -6.589 6.177 -5.115 353 HA ILE 60 HA ILE 60 -6.628 7.199 -2.469 354 HB ILE 60 HB ILE 60 -8.692 6.331 -4.494 355 HG13 ILE 60 2HG1 ILE 60 -9.207 8.641 -4.730 356 HG21 ILE 60 1HG2 ILE 60 -9.865 5.756 -2.552 357 HG22 ILE 60 2HG2 ILE 60 -9.358 7.239 -1.695 358 HG23 ILE 60 3HG2 ILE 60 -10.496 7.318 -3.073 359 HD11 ILE 60 3HD1 ILE 60 -7.178 9.302 -2.552 360 HD12 ILE 60 1HD1 ILE 60 -8.003 10.453 -3.612 361 HD13 ILE 60 2HD1 ILE 60 -8.940 9.523 -2.435 362 H THR 61 H THR 61 -7.658 3.959 -3.585 363 HA THR 61 HA THR 61 -8.816 3.038 -1.184 364 HB THR 61 HB THR 61 -7.382 1.600 -3.450 365 HG1 THR 61 1HG THR 61 -9.397 2.581 -3.842 366 HG21 THR 61 3HG2 THR 61 -8.900 0.371 -1.111 367 HG22 THR 61 1HG2 THR 61 -7.208 0.043 -1.569 368 HG23 THR 61 2HG2 THR 61 -8.525 -0.474 -2.630 369 H ILE 62 H ILE 62 -5.397 2.874 -2.145 370 HA ILE 62 HA ILE 62 -4.684 1.673 0.478 371 HB ILE 62 HB ILE 62 -3.834 0.823 -1.752 372 HG13 ILE 62 2HG1 ILE 62 -2.987 0.086 0.374 373 HG21 ILE 62 1HG2 ILE 62 -3.245 3.013 -2.765 374 HG22 ILE 62 2HG2 ILE 62 -1.916 3.182 -1.592 375 HG23 ILE 62 3HG2 ILE 62 -1.916 1.868 -2.789 376 HD11 ILE 62 3HD1 ILE 62 -0.548 0.637 -1.364 377 HD12 ILE 62 1HD1 ILE 62 -0.789 -0.675 -0.199 378 HD13 ILE 62 2HD1 ILE 62 -1.733 -0.647 -1.697 379 H GLN 63 H GLN 63 -4.463 4.820 -1.102 380 HA GLN 63 HA GLN 63 -2.674 6.136 0.635 381 HB3 GLN 63 2HB GLN 63 -5.265 7.216 -0.580 382 HG3 GLN 63 2HG GLN 63 -2.750 8.595 0.433 383 HE21 GLN 63 1HE2 GLN 63 -5.878 10.163 -0.284 384 HE22 GLN 63 2HE2 GLN 63 -5.214 11.121 -1.609 385 H GLU 64 H GLU 64 -6.234 5.686 1.051 386 HA GLU 64 HA GLU 64 -6.478 6.906 3.613 387 HB3 GLU 64 2HB GLU 64 -8.386 5.295 3.920 388 HG3 GLU 64 2HG GLU 64 -8.592 6.429 1.122 389 H ARG 65 H ARG 65 -5.721 3.486 2.842 390 HA ARG 65 HA ARG 65 -5.768 2.683 5.601 391 HB3 ARG 65 2HB ARG 65 -4.580 1.340 3.128 392 HG3 ARG 65 2HG ARG 65 -3.767 0.093 5.007 393 HD3 ARG 65 2HD ARG 65 -5.085 0.778 6.901 394 HE ARG 65 HE ARG 65 -7.348 0.849 5.503 395 HH11 ARG 65 1HH1 ARG 65 -6.637 -1.416 8.177 396 HH12 ARG 65 2HH1 ARG 65 -8.332 -1.582 8.531 397 HH21 ARG 65 1HH2 ARG 65 -9.384 0.564 5.997 398 HH22 ARG 65 2HH2 ARG 65 -9.898 -0.562 7.245 399 H ILE 66 H ILE 66 -3.081 3.645 3.440 400 HA ILE 66 HA ILE 66 -1.039 3.143 5.488 401 HB ILE 66 HB ILE 66 -0.982 4.838 2.956 402 HG13 ILE 66 2HG1 ILE 66 -1.288 2.212 2.828 403 HG21 ILE 66 1HG2 ILE 66 0.745 5.607 4.520 404 HG22 ILE 66 2HG2 ILE 66 1.247 3.923 4.840 405 HG23 ILE 66 3HG2 ILE 66 1.521 4.680 3.248 406 HD11 ILE 66 3HD1 ILE 66 -0.621 3.499 0.872 407 HD12 ILE 66 1HD1 ILE 66 1.085 3.472 1.406 408 HD13 ILE 66 2HD1 ILE 66 0.265 1.971 0.972 409 H ALA 67 H ALA 67 -2.946 6.049 4.551 410 HA ALA 67 HA ALA 67 -1.735 7.817 6.411 411 HB1 ALA 67 1HB ALA 67 -3.847 9.117 6.146 412 HB2 ALA 67 2HB ALA 67 -3.191 8.589 4.595 413 HB3 ALA 67 3HB ALA 67 -4.582 7.747 5.297 414 H ALA 68 H ALA 68 -4.433 5.498 6.775 415 HA ALA 68 HA ALA 68 -5.348 6.368 9.309 416 HB1 ALA 68 1HB ALA 68 -6.672 4.275 9.221 417 HB2 ALA 68 2HB ALA 68 -6.700 5.144 7.673 418 HB3 ALA 68 3HB ALA 68 -5.676 3.703 7.863 419 H LEU 69 H LEU 69 -2.882 3.875 8.554 420 HA LEU 69 HA LEU 69 -2.403 3.302 11.413 421 HB3 LEU 69 2HB LEU 69 -0.241 2.305 10.474 422 HG LEU 69 HG LEU 69 -1.116 0.271 9.909 423 HD11 LEU 69 1HD1 LEU 69 -3.381 1.402 11.589 424 HD12 LEU 69 2HD1 LEU 69 -1.766 0.983 12.214 425 HD13 LEU 69 3HD1 LEU 69 -2.815 -0.264 11.518 426 HD21 LEU 69 3HD2 LEU 69 -3.309 -0.215 9.031 427 HD22 LEU 69 1HD2 LEU 69 -2.491 0.943 7.983 428 HD23 LEU 69 2HD2 LEU 69 -3.775 1.496 9.088 429 H GLY 70 H GLY 70 -1.812 6.023 9.583 430 HA2 GLY 70 2HA GLY 70 -1.239 7.950 10.852 431 HA3 GLY 70 3HA GLY 70 0.078 7.058 11.641 432 H TYR 71 H TYR 71 0.263 6.258 8.397 433 HA TYR 71 HA TYR 71 2.643 8.011 8.171 434 HB3 TYR 71 2HB TYR 71 3.365 6.320 6.531 435 HD1 TYR 71 2HD TYR 71 4.830 6.427 8.597 436 HD2 TYR 71 1HD TYR 71 1.348 3.901 8.300 437 HE1 TYR 71 2HE TYR 71 5.737 4.975 10.385 438 HE2 TYR 71 1HE TYR 71 2.245 2.453 10.120 439 HH TYR 71 HH TYR 71 5.515 3.000 11.478 440 H THR 72 H THR 72 3.061 7.794 5.447 441 HA THR 72 HA THR 72 0.785 8.636 3.868 442 HB THR 72 HB THR 72 2.062 10.529 2.788 443 HG1 THR 72 1HG THR 72 3.667 10.339 5.137 444 HG21 THR 72 3HG2 THR 72 1.606 11.124 5.734 445 HG22 THR 72 1HG2 THR 72 0.311 11.021 4.517 446 HG23 THR 72 2HG2 THR 72 1.577 12.254 4.370 447 H LEU 73 H LEU 73 1.351 8.427 1.523 448 HA LEU 73 HA LEU 73 3.633 6.563 1.043 449 HB3 LEU 73 2HB LEU 73 1.229 5.735 0.856 450 HG LEU 73 HG LEU 73 1.367 7.082 -1.874 451 HD11 LEU 73 1HD1 LEU 73 0.475 4.775 -1.901 452 HD12 LEU 73 2HD1 LEU 73 -0.767 5.969 -2.304 453 HD13 LEU 73 3HD1 LEU 73 -0.739 5.237 -0.687 454 HD21 LEU 73 3HD2 LEU 73 0.536 8.752 -0.292 455 HD22 LEU 73 1HD2 LEU 73 -0.560 7.549 0.429 456 HD23 LEU 73 2HD2 LEU 73 -0.832 8.126 -1.218 457 H ALA 74 H ALA 74 4.513 6.427 -1.121 458 HA ALA 74 HA ALA 74 4.318 8.785 -2.911 459 HB1 ALA 74 1HB ALA 74 6.175 9.313 -1.432 460 HB2 ALA 74 2HB ALA 74 6.884 7.707 -1.676 461 HB3 ALA 74 3HB ALA 74 6.810 8.860 -3.024 462 H GLU 75 H GLU 75 3.157 7.485 -4.298 463 HA GLU 75 HA GLU 75 4.538 5.214 -5.646 464 HB3 GLU 75 2HB GLU 75 1.659 6.134 -5.566 465 HG3 GLU 75 2HG GLU 75 1.624 3.667 -6.793 466 HA PRO 76 HA PRO 76 6.127 8.555 -7.642 467 HB3 PRO 76 2HB PRO 76 8.028 7.376 -8.026 468 HG3 PRO 76 2HG PRO 76 7.923 5.068 -8.594 469 HD3 PRO 76 2HD PRO 76 6.537 5.390 -6.697 Start of MODEL 17 1 H2 PRO 6 2H PRO 6 -7.230 -3.574 -16.695 2 HA PRO 6 HA PRO 6 -8.947 -5.169 -14.947 3 HB3 PRO 6 2HB PRO 6 -8.174 -7.126 -16.043 4 HG3 PRO 6 2HG PRO 6 -9.638 -6.344 -17.694 5 HD3 PRO 6 2HD PRO 6 -10.078 -4.212 -17.061 6 H LEU 7 H LEU 7 -7.364 -6.666 -13.631 7 HA LEU 7 HA LEU 7 -5.871 -4.952 -11.974 8 HB3 LEU 7 2HB LEU 7 -7.024 -7.028 -11.259 9 HG LEU 7 HG LEU 7 -4.546 -8.483 -12.321 10 HD11 LEU 7 1HD1 LEU 7 -6.757 -9.457 -10.473 11 HD12 LEU 7 2HD1 LEU 7 -5.056 -9.160 -10.032 12 HD13 LEU 7 3HD1 LEU 7 -5.454 -10.453 -11.164 13 HD21 LEU 7 3HD2 LEU 7 -6.250 -10.011 -13.365 14 HD22 LEU 7 1HD2 LEU 7 -6.245 -8.402 -14.075 15 HD23 LEU 7 2HD2 LEU 7 -7.517 -8.856 -12.911 16 H LYS 8 H LYS 8 -3.837 -4.370 -11.694 17 HA LYS 8 HA LYS 8 -1.574 -5.731 -13.014 18 HB3 LYS 8 2HB LYS 8 -2.024 -4.280 -14.783 19 HG3 LYS 8 2HG LYS 8 -2.889 -2.225 -12.740 20 HD3 LYS 8 2HD LYS 8 -3.038 -0.666 -14.792 21 HE3 LYS 8 2HE LYS 8 -0.306 -1.278 -13.592 22 HZ1 LYS 8 3HZ LYS 8 0.051 1.072 -13.850 23 HZ2 LYS 8 1HZ LYS 8 -1.380 1.290 -14.627 24 HZ3 LYS 8 2HZ LYS 8 -0.181 0.399 -15.320 25 H THR 9 H THR 9 0.453 -5.324 -12.107 26 HA THR 9 HA THR 9 0.321 -4.605 -9.256 27 HB THR 9 HB THR 9 1.325 -6.713 -9.969 28 HG1 THR 9 1HG THR 9 2.776 -6.582 -8.409 29 HG21 THR 9 3HG2 THR 9 3.636 -5.034 -11.033 30 HG22 THR 9 1HG2 THR 9 2.504 -5.954 -12.035 31 HG23 THR 9 2HG2 THR 9 3.560 -6.800 -10.896 32 H GLN 10 H GLN 10 1.880 -3.327 -8.133 33 HA GLN 10 HA GLN 10 3.490 -1.334 -9.522 34 HB3 GLN 10 2HB GLN 10 1.041 -0.514 -7.890 35 HG3 GLN 10 2HG GLN 10 2.930 1.198 -7.936 36 HE21 GLN 10 1HE2 GLN 10 2.494 3.464 -9.721 37 HE22 GLN 10 2HE2 GLN 10 3.337 3.049 -11.215 38 H GLN 11 H GLN 11 5.080 -0.504 -8.161 39 HA GLN 11 HA GLN 11 5.123 -1.347 -5.303 40 HB3 GLN 11 2HB GLN 11 7.506 -0.428 -5.466 41 HG3 GLN 11 2HG GLN 11 7.056 -2.758 -7.348 42 HE21 GLN 11 1HE2 GLN 11 9.242 -1.643 -8.178 43 HE22 GLN 11 2HE2 GLN 11 10.666 -2.153 -7.304 44 H MET 12 H MET 12 5.650 0.163 -3.647 45 HA MET 12 HA MET 12 6.062 2.968 -4.194 46 HB3 MET 12 2HB MET 12 3.723 3.084 -4.453 47 HG3 MET 12 2HG MET 12 2.977 2.262 -1.695 48 HE1 MET 12 3HE MET 12 0.886 0.969 -5.650 49 HE2 MET 12 1HE MET 12 2.471 1.762 -5.690 50 HE3 MET 12 2HE MET 12 2.290 0.192 -4.890 51 H GLN 13 H GLN 13 6.375 4.276 -2.285 52 HA GLN 13 HA GLN 13 7.811 2.763 -0.166 53 HB3 GLN 13 2HB GLN 13 8.900 4.941 0.277 54 HG3 GLN 13 2HG GLN 13 10.174 5.301 -1.734 55 HE21 GLN 13 1HE2 GLN 13 11.211 3.730 -0.031 56 HE22 GLN 13 2HE2 GLN 13 11.423 2.074 -0.614 57 H VAL 14 H VAL 14 7.615 3.721 2.101 58 HA VAL 14 HA VAL 14 4.987 4.794 2.813 59 HB VAL 14 HB VAL 14 4.123 2.710 2.184 60 HG11 VAL 14 1HG1 VAL 14 4.980 0.509 2.852 61 HG12 VAL 14 2HG1 VAL 14 6.124 1.373 1.833 62 HG13 VAL 14 3HG1 VAL 14 6.409 1.269 3.584 63 HG21 VAL 14 3HG2 VAL 14 3.460 3.487 4.472 64 HG22 VAL 14 1HG2 VAL 14 3.288 1.739 4.220 65 HG23 VAL 14 2HG2 VAL 14 4.646 2.375 5.166 66 H GLY 15 H GLY 15 5.292 5.940 4.536 67 HA2 GLY 15 2HA GLY 15 7.721 5.865 6.005 68 HA3 GLY 15 3HA GLY 15 6.304 6.864 6.385 69 H GLY 16 H GLY 16 4.951 3.956 6.632 70 HA2 GLY 16 2HA GLY 16 5.264 3.865 9.561 71 HA3 GLY 16 3HA GLY 16 4.150 2.897 8.565 72 H MET 17 H MET 17 6.483 1.978 6.830 73 HA MET 17 HA MET 17 7.088 -0.406 8.317 74 HB3 MET 17 2HB MET 17 8.835 -0.659 6.381 75 HG3 MET 17 2HG MET 17 6.794 -1.978 6.469 76 HE1 MET 17 3HE MET 17 4.502 -2.720 5.188 77 HE2 MET 17 1HE MET 17 3.350 -1.549 4.517 78 HE3 MET 17 2HE MET 17 4.935 -1.783 3.746 79 H ARG 18 H ARG 18 8.857 -1.052 9.411 80 HA ARG 18 HA ARG 18 10.525 -0.942 10.857 81 HB3 ARG 18 2HB ARG 18 12.567 0.278 10.354 82 HG3 ARG 18 2HG ARG 18 11.348 -0.654 7.713 83 HD3 ARG 18 2HD ARG 18 13.661 -1.523 7.336 84 HE ARG 18 HE ARG 18 12.874 1.015 6.845 85 HH11 ARG 18 1HH1 ARG 18 16.051 -0.357 7.681 86 HH12 ARG 18 2HH1 ARG 18 16.899 0.993 6.965 87 HH21 ARG 18 1HH2 ARG 18 14.063 2.724 5.994 88 HH22 ARG 18 2HH2 ARG 18 15.799 2.706 6.044 89 H CYS 19 H CYS 19 8.380 1.489 10.799 90 HA CYS 19 HA CYS 19 9.384 2.768 13.319 91 HB3 CYS 19 2HB CYS 19 7.819 4.574 12.600 92 HG CYS 19 HG CYS 19 9.151 5.612 10.580 93 H ALA 20 H ALA 20 6.756 0.857 11.999 94 HA ALA 20 HA ALA 20 5.707 0.297 14.699 95 HB1 ALA 20 1HB ALA 20 3.373 0.832 13.900 96 HB2 ALA 20 2HB ALA 20 4.409 2.256 13.960 97 HB3 ALA 20 3HB ALA 20 4.067 1.484 12.406 98 H ALA 21 H ALA 21 3.771 -1.424 14.263 99 HA ALA 21 HA ALA 21 4.873 -3.682 12.839 100 HB1 ALA 21 1HB ALA 21 3.533 -3.801 14.938 101 HB2 ALA 21 2HB ALA 21 2.101 -3.250 14.037 102 HB3 ALA 21 3HB ALA 21 2.855 -4.807 13.644 103 H CYS 22 H CYS 22 4.091 -1.215 11.199 104 HA CYS 22 HA CYS 22 1.779 -1.567 9.714 105 HB3 CYS 22 2HB CYS 22 3.155 -0.089 8.025 106 HG CYS 22 HG CYS 22 1.305 0.732 9.796 107 H ALA 23 H ALA 23 4.866 -3.206 8.970 108 HA ALA 23 HA ALA 23 4.279 -4.374 6.514 109 HB1 ALA 23 1HB ALA 23 6.325 -4.748 7.862 110 HB2 ALA 23 2HB ALA 23 5.391 -5.680 9.051 111 HB3 ALA 23 3HB ALA 23 5.597 -6.299 7.403 112 H SER 24 H SER 24 2.734 -5.245 9.659 113 HA SER 24 HA SER 24 0.999 -7.196 8.197 114 HB3 SER 24 2HB SER 24 1.523 -8.377 10.002 115 HG SER 24 HG SER 24 1.720 -7.190 12.175 116 H SER 25 H SER 25 0.772 -4.157 10.120 117 HA SER 25 HA SER 25 -2.064 -4.031 10.071 118 HB3 SER 25 2HB SER 25 -1.885 -1.963 11.022 119 HG SER 25 HG SER 25 -0.306 -3.054 12.251 120 H ILE 26 H ILE 26 0.232 -3.103 7.569 121 HA ILE 26 HA ILE 26 -1.859 -2.080 5.747 122 HB ILE 26 HB ILE 26 1.114 -2.700 5.496 123 HG13 ILE 26 2HG1 ILE 26 -0.713 -0.307 5.044 124 HG21 ILE 26 1HG2 ILE 26 0.207 -3.804 3.506 125 HG22 ILE 26 2HG2 ILE 26 -0.625 -2.285 3.067 126 HG23 ILE 26 3HG2 ILE 26 1.161 -2.400 3.173 127 HD11 ILE 26 3HD1 ILE 26 0.907 0.895 6.378 128 HD12 ILE 26 1HD1 ILE 26 0.586 -0.627 7.243 129 HD13 ILE 26 2HD1 ILE 26 2.053 -0.450 6.263 130 H GLU 27 H GLU 27 0.073 -5.128 5.923 131 HA GLU 27 HA GLU 27 -1.296 -5.948 3.569 132 HB3 GLU 27 2HB GLU 27 0.327 -7.888 5.192 133 HG3 GLU 27 2HG GLU 27 0.634 -7.054 2.270 134 H ARG 28 H ARG 28 -2.011 -6.627 6.960 135 HA ARG 28 HA ARG 28 -3.736 -8.916 6.378 136 HB3 ARG 28 2HB ARG 28 -3.598 -7.210 8.888 137 HG3 ARG 28 2HG ARG 28 -4.443 -10.104 8.380 138 HD3 ARG 28 2HD ARG 28 -3.945 -8.585 10.962 139 HE ARG 28 HE ARG 28 -5.855 -9.938 11.407 140 HH11 ARG 28 1HH1 ARG 28 -3.155 -12.034 10.425 141 HH12 ARG 28 2HH1 ARG 28 -3.653 -13.277 11.564 142 HH21 ARG 28 1HH2 ARG 28 -6.435 -11.612 12.706 143 HH22 ARG 28 2HH2 ARG 28 -5.532 -13.112 12.680 144 H ALA 29 H ALA 29 -4.151 -5.569 5.880 145 HA ALA 29 HA ALA 29 -7.117 -5.983 5.531 146 HB1 ALA 29 1HB ALA 29 -6.613 -4.081 6.981 147 HB2 ALA 29 2HB ALA 29 -5.490 -3.428 5.768 148 HB3 ALA 29 3HB ALA 29 -7.234 -3.517 5.412 149 H LEU 30 H LEU 30 -4.108 -4.957 3.889 150 HA LEU 30 HA LEU 30 -5.252 -3.821 1.662 151 HB3 LEU 30 2HB LEU 30 -2.623 -5.338 1.820 152 HG LEU 30 HG LEU 30 -2.998 -4.686 -0.498 153 HD11 LEU 30 1HD1 LEU 30 -3.643 -1.923 0.619 154 HD12 LEU 30 2HD1 LEU 30 -4.676 -2.979 -0.381 155 HD13 LEU 30 3HD1 LEU 30 -3.250 -2.235 -1.085 156 HD21 LEU 30 3HD2 LEU 30 -1.176 -2.642 0.836 157 HD22 LEU 30 1HD2 LEU 30 -1.029 -3.308 -0.801 158 HD23 LEU 30 2HD2 LEU 30 -0.744 -4.347 0.607 159 H GLU 31 H GLU 31 -4.686 -7.348 2.035 160 HA GLU 31 HA GLU 31 -5.388 -7.884 -0.729 161 HB3 GLU 31 2HB GLU 31 -3.933 -9.395 0.548 162 HG3 GLU 31 2HG GLU 31 -6.463 -10.136 2.090 163 H ARG 32 H ARG 32 -7.288 -6.925 1.874 164 HA ARG 32 HA ARG 32 -9.683 -8.419 1.014 165 HB3 ARG 32 2HB ARG 32 -10.647 -7.806 3.146 166 HG3 ARG 32 2HG ARG 32 -7.739 -8.620 3.634 167 HD3 ARG 32 2HD ARG 32 -10.249 -8.965 5.313 168 HE ARG 32 HE ARG 32 -7.597 -10.179 5.533 169 HH11 ARG 32 1HH1 ARG 32 -10.243 -8.929 7.565 170 HH12 ARG 32 2HH1 ARG 32 -9.772 -10.016 8.874 171 HH21 ARG 32 1HH2 ARG 32 -7.110 -11.429 7.248 172 HH22 ARG 32 2HH2 ARG 32 -8.115 -11.397 8.696 173 H LEU 33 H LEU 33 -8.320 -5.177 1.044 174 HA LEU 33 HA LEU 33 -10.586 -3.537 0.943 175 HB3 LEU 33 2HB LEU 33 -9.184 -1.952 -0.363 176 HG LEU 33 HG LEU 33 -7.460 -3.282 1.758 177 HD11 LEU 33 1HD1 LEU 33 -6.351 -1.665 0.142 178 HD12 LEU 33 2HD1 LEU 33 -6.276 -1.175 1.847 179 HD13 LEU 33 3HD1 LEU 33 -7.443 -0.418 0.745 180 HD21 LEU 33 3HD2 LEU 33 -9.587 -2.587 2.801 181 HD22 LEU 33 1HD2 LEU 33 -9.437 -0.977 2.045 182 HD23 LEU 33 2HD2 LEU 33 -8.273 -1.493 3.276 183 H LYS 34 H LYS 34 -12.191 -3.162 -0.405 184 HA LYS 34 HA LYS 34 -12.851 -4.827 -2.546 185 HB3 LYS 34 2HB LYS 34 -14.554 -2.976 -3.063 186 HG3 LYS 34 2HG LYS 34 -14.270 -4.136 -0.266 187 HD3 LYS 34 2HD LYS 34 -15.653 -2.156 -0.006 188 HE3 LYS 34 2HE LYS 34 -17.450 -3.345 -2.180 189 HZ1 LYS 34 3HZ LYS 34 -18.662 -2.248 -0.403 190 HZ2 LYS 34 1HZ LYS 34 -18.732 -1.320 -1.752 191 HZ3 LYS 34 2HZ LYS 34 -17.720 -0.900 -0.527 192 H GLY 35 H GLY 35 -11.783 -5.118 -4.367 193 HA2 GLY 35 2HA GLY 35 -11.323 -4.430 -6.616 194 HA3 GLY 35 3HA GLY 35 -10.938 -2.792 -6.056 195 H VAL 36 H VAL 36 -9.341 -4.728 -3.861 196 HA VAL 36 HA VAL 36 -6.825 -4.730 -5.476 197 HB VAL 36 HB VAL 36 -7.214 -5.111 -2.486 198 HG11 VAL 36 1HG1 VAL 36 -4.685 -4.870 -4.187 199 HG12 VAL 36 2HG1 VAL 36 -4.707 -4.762 -2.422 200 HG13 VAL 36 3HG1 VAL 36 -5.174 -6.271 -3.207 201 HG21 VAL 36 3HG2 VAL 36 -6.159 -2.854 -2.318 202 HG22 VAL 36 1HG2 VAL 36 -6.189 -2.717 -4.087 203 HG23 VAL 36 2HG2 VAL 36 -7.705 -2.795 -3.163 204 H ALA 37 H ALA 37 -5.801 -6.560 -6.043 205 HA ALA 37 HA ALA 37 -7.281 -9.135 -5.603 206 HB1 ALA 37 1HB ALA 37 -5.651 -8.103 -7.956 207 HB2 ALA 37 2HB ALA 37 -6.533 -9.648 -7.885 208 HB3 ALA 37 3HB ALA 37 -7.428 -8.118 -7.837 209 H GLU 38 H GLU 38 -4.017 -7.778 -5.362 210 HA GLU 38 HA GLU 38 -3.054 -10.169 -4.048 211 HB3 GLU 38 2HB GLU 38 -1.650 -9.403 -6.643 212 HG3 GLU 38 2HG GLU 38 -1.403 -11.922 -4.959 213 H ALA 39 H ALA 39 -1.307 -9.573 -2.631 214 HA ALA 39 HA ALA 39 0.026 -6.960 -3.035 215 HB1 ALA 39 1HB ALA 39 -0.852 -6.040 -0.940 216 HB2 ALA 39 2HB ALA 39 -2.167 -6.340 -2.093 217 HB3 ALA 39 3HB ALA 39 -1.906 -7.456 -0.728 218 H SER 40 H SER 40 1.874 -6.639 -1.863 219 HA SER 40 HA SER 40 2.705 -8.680 0.139 220 HB3 SER 40 2HB SER 40 4.807 -9.102 -1.097 221 HG SER 40 HG SER 40 3.702 -10.213 -2.952 222 H VAL 41 H VAL 41 3.672 -7.589 1.797 223 HA VAL 41 HA VAL 41 5.083 -5.013 1.287 224 HB VAL 41 HB VAL 41 5.540 -4.900 3.659 225 HG11 VAL 41 1HG1 VAL 41 3.428 -4.033 2.788 226 HG12 VAL 41 2HG1 VAL 41 2.639 -5.595 3.054 227 HG13 VAL 41 3HG1 VAL 41 3.222 -4.645 4.434 228 HG21 VAL 41 3HG2 VAL 41 5.869 -7.290 4.198 229 HG22 VAL 41 1HG2 VAL 41 4.700 -6.518 5.268 230 HG23 VAL 41 2HG2 VAL 41 4.133 -7.580 3.978 231 H THR 42 H THR 42 7.301 -4.647 1.838 232 HA THR 42 HA THR 42 9.093 -7.052 2.006 233 HB THR 42 HB THR 42 9.500 -4.599 0.246 234 HG1 THR 42 1HG THR 42 8.221 -6.006 -0.799 235 HG21 THR 42 3HG2 THR 42 11.545 -5.756 -0.511 236 HG22 THR 42 1HG2 THR 42 11.293 -7.021 0.713 237 HG23 THR 42 2HG2 THR 42 11.651 -5.356 1.203 238 H VAL 43 H VAL 43 9.706 -6.893 4.081 239 HA VAL 43 HA VAL 43 10.210 -4.311 5.388 240 HB VAL 43 HB VAL 43 10.616 -7.176 6.309 241 HG11 VAL 43 1HG1 VAL 43 10.863 -6.224 8.620 242 HG12 VAL 43 2HG1 VAL 43 12.231 -5.835 7.582 243 HG13 VAL 43 3HG1 VAL 43 10.996 -4.599 7.912 244 HG21 VAL 43 3HG2 VAL 43 8.608 -5.016 7.121 245 HG22 VAL 43 1HG2 VAL 43 8.241 -6.386 6.062 246 HG23 VAL 43 2HG2 VAL 43 8.668 -6.676 7.752 247 H ALA 44 H ALA 44 12.214 -6.705 3.696 248 HA ALA 44 HA ALA 44 14.750 -6.038 4.724 249 HB1 ALA 44 1HB ALA 44 15.585 -7.138 2.686 250 HB2 ALA 44 2HB ALA 44 14.221 -8.031 3.372 251 HB3 ALA 44 3HB ALA 44 13.979 -7.012 1.935 252 H THR 45 H THR 45 12.922 -4.314 2.236 253 HA THR 45 HA THR 45 15.042 -2.193 2.158 254 HB THR 45 HB THR 45 14.098 -1.619 -0.113 255 HG1 THR 45 1HG THR 45 13.073 -3.609 -1.052 256 HG21 THR 45 3HG2 THR 45 15.329 -3.332 -1.295 257 HG22 THR 45 1HG2 THR 45 15.261 -4.427 0.103 258 HG23 THR 45 2HG2 THR 45 16.203 -2.917 0.178 259 H GLY 46 H GLY 46 11.790 -2.889 3.037 260 HA2 GLY 46 2HA GLY 46 10.324 -1.626 4.242 261 HA3 GLY 46 3HA GLY 46 11.425 -0.242 4.173 262 H ARG 47 H ARG 47 9.141 -2.139 2.204 263 HA ARG 47 HA ARG 47 7.942 0.236 1.016 264 HB3 ARG 47 2HB ARG 47 9.974 0.074 -0.340 265 HG3 ARG 47 2HG ARG 47 8.963 -2.729 -0.993 266 HD3 ARG 47 2HD ARG 47 9.579 -1.577 -3.052 267 HE ARG 47 HE ARG 47 11.845 -0.554 -1.579 268 HH11 ARG 47 1HH1 ARG 47 10.895 -1.619 -4.816 269 HH12 ARG 47 2HH1 ARG 47 12.116 -0.627 -5.586 270 HH21 ARG 47 1HH2 ARG 47 13.456 0.573 -2.609 271 HH22 ARG 47 2HH2 ARG 47 13.593 0.541 -4.345 272 H LEU 48 H LEU 48 6.509 -0.584 -0.937 273 HA LEU 48 HA LEU 48 4.909 -2.917 0.001 274 HB3 LEU 48 2HB LEU 48 3.410 -0.524 -0.939 275 HG LEU 48 HG LEU 48 3.380 -1.896 1.769 276 HD11 LEU 48 1HD1 LEU 48 1.066 -0.739 1.753 277 HD12 LEU 48 2HD1 LEU 48 1.626 0.138 0.328 278 HD13 LEU 48 3HD1 LEU 48 2.481 0.329 1.871 279 HD21 LEU 48 3HD2 LEU 48 1.634 -2.390 -0.699 280 HD22 LEU 48 1HD2 LEU 48 1.295 -3.011 0.930 281 HD23 LEU 48 2HD2 LEU 48 2.727 -3.561 0.084 282 H THR 49 H THR 49 3.690 -3.962 -1.552 283 HA THR 49 HA THR 49 3.783 -3.066 -4.393 284 HB THR 49 HB THR 49 4.272 -5.932 -3.500 285 HG1 THR 49 1HG THR 49 6.390 -5.191 -4.622 286 HG21 THR 49 3HG2 THR 49 4.873 -6.257 -5.872 287 HG22 THR 49 1HG2 THR 49 4.510 -4.550 -6.216 288 HG23 THR 49 2HG2 THR 49 3.216 -5.680 -5.750 289 H VAL 50 H VAL 50 1.876 -3.274 -5.387 290 HA VAL 50 HA VAL 50 -0.294 -4.932 -4.199 291 HB VAL 50 HB VAL 50 -0.303 -2.741 -3.023 292 HG11 VAL 50 1HG1 VAL 50 -1.000 -1.506 -5.714 293 HG12 VAL 50 2HG1 VAL 50 -0.974 -0.686 -4.144 294 HG13 VAL 50 3HG1 VAL 50 0.530 -1.304 -4.843 295 HG21 VAL 50 3HG2 VAL 50 -2.746 -3.261 -4.760 296 HG22 VAL 50 1HG2 VAL 50 -2.383 -3.967 -3.173 297 HG23 VAL 50 2HG2 VAL 50 -2.700 -2.225 -3.327 298 H THR 51 H THR 51 -1.827 -5.605 -5.591 299 HA THR 51 HA THR 51 -1.732 -4.738 -8.454 300 HB THR 51 HB THR 51 -2.341 -7.450 -7.222 301 HG1 THR 51 1HG THR 51 -0.153 -7.027 -7.477 302 HG21 THR 51 3HG2 THR 51 -2.548 -8.253 -9.564 303 HG22 THR 51 1HG2 THR 51 -2.489 -6.572 -10.139 304 HG23 THR 51 2HG2 THR 51 -3.835 -7.136 -9.121 305 H TYR 52 H TYR 52 -3.445 -3.706 -9.102 306 HA TYR 52 HA TYR 52 -6.173 -4.351 -8.211 307 HB3 TYR 52 2HB TYR 52 -5.404 -2.807 -6.479 308 HD1 TYR 52 1HD TYR 52 -6.054 -0.391 -9.280 309 HD2 TYR 52 2HD TYR 52 -3.371 -1.605 -6.152 310 HE1 TYR 52 1HE TYR 52 -4.709 1.665 -9.644 311 HE2 TYR 52 2HE TYR 52 -2.043 0.479 -6.481 312 HH TYR 52 HH TYR 52 -1.889 2.511 -7.614 313 H ASP 53 H ASP 53 -7.834 -3.027 -9.473 314 HA ASP 53 HA ASP 53 -6.921 -2.524 -12.241 315 HB3 ASP 53 2HB ASP 53 -9.652 -2.875 -11.004 316 HA PRO 54 HA PRO 54 -6.816 1.759 -10.928 317 HB3 PRO 54 2HB PRO 54 -4.805 1.716 -12.114 318 HG3 PRO 54 2HG PRO 54 -4.681 0.753 -14.298 319 HD3 PRO 54 2HD PRO 54 -5.338 -0.944 -12.807 320 H LYS 55 H LYS 55 -9.357 0.613 -12.287 321 HA LYS 55 HA LYS 55 -10.523 3.321 -12.813 322 HB3 LYS 55 2HB LYS 55 -12.184 2.218 -14.323 323 HG3 LYS 55 2HG LYS 55 -9.313 2.039 -15.339 324 HD3 LYS 55 2HD LYS 55 -11.095 1.280 -16.917 325 HE3 LYS 55 2HE LYS 55 -12.021 4.195 -16.795 326 HZ1 LYS 55 3HZ LYS 55 -13.065 1.854 -18.259 327 HZ2 LYS 55 1HZ LYS 55 -12.285 3.178 -18.943 328 HZ3 LYS 55 2HZ LYS 55 -13.767 3.324 -18.221 329 H GLN 56 H GLN 56 -11.134 -0.024 -11.693 330 HA GLN 56 HA GLN 56 -13.440 0.624 -10.067 331 HB3 GLN 56 2HB GLN 56 -12.482 -1.366 -8.676 332 HG3 GLN 56 2HG GLN 56 -13.050 -3.066 -10.403 333 HE21 GLN 56 1HE2 GLN 56 -15.256 -1.463 -12.161 334 HE22 GLN 56 2HE2 GLN 56 -16.504 -1.201 -10.947 335 H VAL 57 H VAL 57 -9.887 0.901 -9.405 336 HA VAL 57 HA VAL 57 -10.625 2.740 -7.168 337 HB VAL 57 HB VAL 57 -8.901 1.877 -5.735 338 HG11 VAL 57 1HG1 VAL 57 -11.139 0.897 -5.459 339 HG12 VAL 57 2HG1 VAL 57 -10.733 -0.410 -6.592 340 HG13 VAL 57 3HG1 VAL 57 -9.877 -0.271 -5.049 341 HG21 VAL 57 3HG2 VAL 57 -7.313 0.964 -7.397 342 HG22 VAL 57 1HG2 VAL 57 -7.693 -0.217 -6.143 343 HG23 VAL 57 2HG2 VAL 57 -8.438 -0.369 -7.746 344 H SER 58 H SER 58 -8.488 3.809 -6.316 345 HA SER 58 HA SER 58 -6.432 4.220 -8.408 346 HB3 SER 58 2HB SER 58 -8.102 6.155 -8.484 347 HG SER 58 HG SER 58 -8.228 7.505 -6.778 348 H GLU 59 H GLU 59 -4.647 5.687 -7.139 349 HA GLU 59 HA GLU 59 -3.510 4.351 -5.000 350 HB3 GLU 59 2HB GLU 59 -2.402 6.107 -6.295 351 HG3 GLU 59 2HG GLU 59 -3.935 8.102 -4.567 352 H ILE 60 H ILE 60 -6.321 6.482 -4.786 353 HA ILE 60 HA ILE 60 -6.363 7.159 -2.019 354 HB ILE 60 HB ILE 60 -8.416 6.812 -4.181 355 HG13 ILE 60 2HG1 ILE 60 -7.937 9.101 -2.224 356 HG21 ILE 60 1HG2 ILE 60 -9.160 7.116 -1.265 357 HG22 ILE 60 2HG2 ILE 60 -10.251 7.424 -2.641 358 HG23 ILE 60 3HG2 ILE 60 -9.630 5.795 -2.385 359 HD11 ILE 60 3HD1 ILE 60 -6.877 8.847 -5.068 360 HD12 ILE 60 1HD1 ILE 60 -6.936 10.346 -4.123 361 HD13 ILE 60 2HD1 ILE 60 -5.913 9.012 -3.578 362 H THR 61 H THR 61 -7.168 4.037 -3.537 363 HA THR 61 HA THR 61 -8.436 2.884 -1.213 364 HB THR 61 HB THR 61 -7.147 1.718 -3.689 365 HG1 THR 61 1HG THR 61 -9.184 2.701 -3.788 366 HG21 THR 61 3HG2 THR 61 -6.801 -0.032 -1.986 367 HG22 THR 61 1HG2 THR 61 -8.172 -0.454 -3.020 368 HG23 THR 61 2HG2 THR 61 -8.465 0.195 -1.390 369 H ILE 62 H ILE 62 -5.003 3.047 -2.148 370 HA ILE 62 HA ILE 62 -4.362 1.553 0.369 371 HB ILE 62 HB ILE 62 -3.479 0.683 -1.730 372 HG13 ILE 62 2HG1 ILE 62 -2.365 0.304 0.445 373 HG21 ILE 62 1HG2 ILE 62 -3.133 2.781 -2.997 374 HG22 ILE 62 2HG2 ILE 62 -1.753 3.184 -1.949 375 HG23 ILE 62 3HG2 ILE 62 -1.713 1.753 -3.005 376 HD11 ILE 62 3HD1 ILE 62 -0.228 0.506 -1.703 377 HD12 ILE 62 1HD1 ILE 62 -0.378 -0.673 -0.381 378 HD13 ILE 62 2HD1 ILE 62 -1.502 -0.737 -1.737 379 H GLN 63 H GLN 63 -3.845 4.737 -1.109 380 HA GLN 63 HA GLN 63 -2.122 6.026 0.697 381 HB3 GLN 63 2HB GLN 63 -3.879 7.986 0.234 382 HG3 GLN 63 2HG GLN 63 -3.289 8.069 -2.248 383 HE21 GLN 63 1HE2 GLN 63 -1.159 8.971 -2.996 384 HE22 GLN 63 2HE2 GLN 63 -0.057 9.561 -1.753 385 H GLU 64 H GLU 64 -5.674 5.596 1.025 386 HA GLU 64 HA GLU 64 -5.891 6.868 3.578 387 HB3 GLU 64 2HB GLU 64 -8.162 5.637 3.522 388 HG3 GLU 64 2HG GLU 64 -8.853 6.823 1.293 389 H ARG 65 H ARG 65 -4.976 3.547 2.795 390 HA ARG 65 HA ARG 65 -5.439 2.485 5.478 391 HB3 ARG 65 2HB ARG 65 -3.596 1.583 3.218 392 HG3 ARG 65 2HG ARG 65 -3.138 0.613 5.633 393 HD3 ARG 65 2HD ARG 65 -4.281 -1.520 5.978 394 HE ARG 65 HE ARG 65 -6.470 0.507 5.832 395 HH11 ARG 65 1HH1 ARG 65 -4.349 -1.468 7.980 396 HH12 ARG 65 2HH1 ARG 65 -5.251 -0.941 9.376 397 HH21 ARG 65 1HH2 ARG 65 -7.517 1.044 7.703 398 HH22 ARG 65 2HH2 ARG 65 -7.063 0.301 9.209 399 H ILE 66 H ILE 66 -2.513 3.674 3.739 400 HA ILE 66 HA ILE 66 -0.852 3.475 6.127 401 HB ILE 66 HB ILE 66 -0.437 4.973 3.505 402 HG13 ILE 66 2HG1 ILE 66 0.875 2.453 4.656 403 HG21 ILE 66 1HG2 ILE 66 1.930 5.233 4.269 404 HG22 ILE 66 2HG2 ILE 66 0.805 6.134 5.273 405 HG23 ILE 66 3HG2 ILE 66 1.471 4.586 5.857 406 HD11 ILE 66 3HD1 ILE 66 0.261 1.399 2.478 407 HD12 ILE 66 1HD1 ILE 66 -1.155 1.744 3.485 408 HD13 ILE 66 2HD1 ILE 66 -0.731 2.806 2.110 409 H ALA 67 H ALA 67 -2.762 6.188 4.769 410 HA ALA 67 HA ALA 67 -1.916 8.105 6.671 411 HB1 ALA 67 1HB ALA 67 -3.070 8.652 4.575 412 HB2 ALA 67 2HB ALA 67 -4.553 7.874 5.163 413 HB3 ALA 67 3HB ALA 67 -3.937 9.334 5.959 414 H ALA 68 H ALA 68 -4.673 5.774 6.836 415 HA ALA 68 HA ALA 68 -5.674 6.701 9.381 416 HB1 ALA 68 1HB ALA 68 -7.049 5.552 7.717 417 HB2 ALA 68 2HB ALA 68 -6.059 4.081 7.870 418 HB3 ALA 68 3HB ALA 68 -7.045 4.645 9.240 419 H LEU 69 H LEU 69 -3.120 4.458 8.529 420 HA LEU 69 HA LEU 69 -2.702 3.506 11.279 421 HB3 LEU 69 2HB LEU 69 -0.597 2.563 10.182 422 HG LEU 69 HG LEU 69 -3.302 1.927 8.905 423 HD11 LEU 69 1HD1 LEU 69 -2.212 -0.119 8.081 424 HD12 LEU 69 2HD1 LEU 69 -0.654 0.455 8.729 425 HD13 LEU 69 3HD1 LEU 69 -1.449 1.322 7.396 426 HD21 LEU 69 3HD2 LEU 69 -3.154 -0.097 10.347 427 HD22 LEU 69 1HD2 LEU 69 -3.249 1.388 11.293 428 HD23 LEU 69 2HD2 LEU 69 -1.689 0.561 11.105 429 H GLY 70 H GLY 70 -2.186 6.507 9.978 430 HA2 GLY 70 2HA GLY 70 -1.419 8.311 11.257 431 HA3 GLY 70 3HA GLY 70 -0.438 7.215 12.256 432 H TYR 71 H TYR 71 0.036 6.722 8.891 433 HA TYR 71 HA TYR 71 2.513 8.420 8.893 434 HB3 TYR 71 2HB TYR 71 3.540 6.527 7.593 435 HD1 TYR 71 1HD TYR 71 5.041 7.287 9.437 436 HD2 TYR 71 2HD TYR 71 1.803 4.519 10.105 437 HE1 TYR 71 1HE TYR 71 6.034 6.662 11.618 438 HE2 TYR 71 2HE TYR 71 2.778 3.911 12.308 439 HH TYR 71 HH TYR 71 4.329 4.502 13.908 440 H THR 72 H THR 72 3.297 8.002 6.280 441 HA THR 72 HA THR 72 0.982 8.604 4.505 442 HB THR 72 HB THR 72 3.533 10.292 4.523 443 HG1 THR 72 1HG THR 72 0.943 11.003 5.420 444 HG21 THR 72 3HG2 THR 72 2.156 11.842 3.147 445 HG22 THR 72 1HG2 THR 72 0.833 10.647 3.133 446 HG23 THR 72 2HG2 THR 72 2.379 10.284 2.351 447 H LEU 73 H LEU 73 1.202 7.751 2.523 448 HA LEU 73 HA LEU 73 3.478 6.014 1.795 449 HB3 LEU 73 2HB LEU 73 0.681 6.570 0.711 450 HG LEU 73 HG LEU 73 2.733 4.672 -0.414 451 HD11 LEU 73 1HD1 LEU 73 1.140 3.154 0.587 452 HD12 LEU 73 2HD1 LEU 73 0.812 3.205 -1.143 453 HD13 LEU 73 3HD1 LEU 73 -0.237 4.099 -0.036 454 HD21 LEU 73 3HD2 LEU 73 1.558 5.130 -2.509 455 HD22 LEU 73 1HD2 LEU 73 1.905 6.685 -1.740 456 HD23 LEU 73 2HD2 LEU 73 0.275 6.007 -1.652 457 H ALA 74 H ALA 74 4.531 6.135 -0.324 458 HA ALA 74 HA ALA 74 4.053 8.595 -1.918 459 HB1 ALA 74 1HB ALA 74 5.978 9.163 -0.476 460 HB2 ALA 74 2HB ALA 74 6.832 7.716 -1.032 461 HB3 ALA 74 3HB ALA 74 6.462 9.022 -2.175 462 H GLU 75 H GLU 75 3.729 8.064 -4.001 463 HA GLU 75 HA GLU 75 4.585 5.359 -4.934 464 HB3 GLU 75 2HB GLU 75 2.527 7.134 -6.254 465 HG3 GLU 75 2HG GLU 75 2.642 4.106 -6.221 466 HA PRO 76 HA PRO 76 7.705 8.034 -6.249 467 HB3 PRO 76 2HB PRO 76 9.196 6.424 -5.651 468 HG3 PRO 76 2HG PRO 76 8.749 4.124 -6.075 469 HD3 PRO 76 2HD PRO 76 6.844 4.996 -4.991 Start of MODEL 18 1 H2 PRO 6 2H PRO 6 -9.839 -4.973 -15.491 2 HA PRO 6 HA PRO 6 -8.102 -7.317 -15.682 3 HB3 PRO 6 2HB PRO 6 -7.099 -6.465 -17.614 4 HG3 PRO 6 2HG PRO 6 -9.130 -6.856 -18.710 5 HD3 PRO 6 2HD PRO 6 -10.370 -7.490 -16.897 6 H LEU 7 H LEU 7 -6.159 -7.146 -14.577 7 HA LEU 7 HA LEU 7 -5.845 -4.792 -12.763 8 HB3 LEU 7 2HB LEU 7 -6.904 -6.446 -11.434 9 HG LEU 7 HG LEU 7 -5.307 -8.429 -13.028 10 HD11 LEU 7 1HD1 LEU 7 -5.286 -10.098 -11.261 11 HD12 LEU 7 2HD1 LEU 7 -5.818 -8.885 -10.072 12 HD13 LEU 7 3HD1 LEU 7 -4.234 -8.739 -10.881 13 HD21 LEU 7 3HD2 LEU 7 -7.783 -8.249 -13.218 14 HD22 LEU 7 1HD2 LEU 7 -7.940 -8.611 -11.490 15 HD23 LEU 7 2HD2 LEU 7 -7.294 -9.834 -12.605 16 H LYS 8 H LYS 8 -3.792 -4.427 -11.926 17 HA LYS 8 HA LYS 8 -1.488 -5.832 -13.083 18 HB3 LYS 8 2HB LYS 8 -2.213 -4.260 -14.872 19 HG3 LYS 8 2HG LYS 8 -1.303 -2.088 -12.927 20 HD3 LYS 8 2HD LYS 8 -2.245 -1.967 -15.809 21 HE3 LYS 8 2HE LYS 8 -1.146 0.266 -14.035 22 HZ1 LYS 8 3HZ LYS 8 -2.556 0.284 -16.630 23 HZ2 LYS 8 1HZ LYS 8 -0.949 0.504 -16.482 24 HZ3 LYS 8 2HZ LYS 8 -2.029 1.624 -15.857 25 H THR 9 H THR 9 0.546 -5.217 -12.284 26 HA THR 9 HA THR 9 0.375 -4.729 -9.384 27 HB THR 9 HB THR 9 2.611 -5.882 -11.075 28 HG1 THR 9 1HG THR 9 0.613 -7.229 -9.580 29 HG21 THR 9 3HG2 THR 9 2.009 -5.992 -8.082 30 HG22 THR 9 1HG2 THR 9 3.470 -5.356 -8.877 31 HG23 THR 9 2HG2 THR 9 3.136 -7.089 -8.904 32 H GLN 10 H GLN 10 1.938 -3.472 -8.242 33 HA GLN 10 HA GLN 10 3.368 -1.316 -9.640 34 HB3 GLN 10 2HB GLN 10 0.868 -0.954 -7.913 35 HG3 GLN 10 2HG GLN 10 2.393 0.906 -7.425 36 HE21 GLN 10 1HE2 GLN 10 4.437 1.506 -8.228 37 HE22 GLN 10 2HE2 GLN 10 4.686 2.091 -9.854 38 H GLN 11 H GLN 11 5.104 -0.741 -8.406 39 HA GLN 11 HA GLN 11 5.172 -1.511 -5.524 40 HB3 GLN 11 2HB GLN 11 7.515 -0.740 -7.298 41 HG3 GLN 11 2HG GLN 11 7.328 -2.541 -4.836 42 HE21 GLN 11 1HE2 GLN 11 8.553 -3.940 -6.763 43 HE22 GLN 11 2HE2 GLN 11 10.297 -3.747 -6.642 44 H MET 12 H MET 12 5.736 0.021 -3.936 45 HA MET 12 HA MET 12 6.201 2.847 -4.674 46 HB3 MET 12 2HB MET 12 3.766 2.644 -4.571 47 HG3 MET 12 2HG MET 12 3.050 2.442 -1.934 48 HE1 MET 12 3HE MET 12 1.751 2.048 -5.051 49 HE2 MET 12 1HE MET 12 0.412 1.045 -4.498 50 HE3 MET 12 2HE MET 12 0.925 2.426 -3.517 51 H GLN 13 H GLN 13 6.468 4.210 -2.698 52 HA GLN 13 HA GLN 13 8.013 2.789 -0.596 53 HB3 GLN 13 2HB GLN 13 7.980 5.734 -1.379 54 HG3 GLN 13 2HG GLN 13 10.091 4.142 0.147 55 HE21 GLN 13 1HE2 GLN 13 12.035 5.376 0.675 56 HE22 GLN 13 2HE2 GLN 13 12.388 6.857 -0.206 57 H VAL 14 H VAL 14 7.728 3.541 1.627 58 HA VAL 14 HA VAL 14 5.490 5.340 2.233 59 HB VAL 14 HB VAL 14 4.332 3.238 2.207 60 HG11 VAL 14 1HG1 VAL 14 6.122 1.617 2.319 61 HG12 VAL 14 2HG1 VAL 14 6.494 2.086 3.999 62 HG13 VAL 14 3HG1 VAL 14 4.947 1.306 3.586 63 HG21 VAL 14 3HG2 VAL 14 3.867 4.787 4.136 64 HG22 VAL 14 1HG2 VAL 14 3.454 3.088 4.432 65 HG23 VAL 14 2HG2 VAL 14 4.924 3.781 5.141 66 H GLY 15 H GLY 15 5.647 6.186 4.428 67 HA2 GLY 15 2HA GLY 15 8.400 6.514 5.374 68 HA3 GLY 15 3HA GLY 15 6.938 7.201 6.090 69 H GLY 16 H GLY 16 6.462 6.467 8.052 70 HA2 GLY 16 2HA GLY 16 8.100 4.718 9.434 71 HA3 GLY 16 3HA GLY 16 6.557 5.325 10.016 72 H MET 17 H MET 17 6.086 3.299 7.236 73 HA MET 17 HA MET 17 5.048 1.097 8.839 74 HB3 MET 17 2HB MET 17 5.560 1.020 5.875 75 HG3 MET 17 2HG MET 17 3.147 0.128 7.485 76 HE1 MET 17 3HE MET 17 4.455 -1.841 3.523 77 HE2 MET 17 1HE MET 17 5.535 -0.780 4.436 78 HE3 MET 17 2HE MET 17 4.965 -2.290 5.163 79 H ARG 18 H ARG 18 8.132 1.895 8.346 80 HA ARG 18 HA ARG 18 9.527 -0.441 7.522 81 HB3 ARG 18 2HB ARG 18 10.441 1.753 7.279 82 HG3 ARG 18 2HG ARG 18 10.393 1.958 10.322 83 HD3 ARG 18 2HD ARG 18 12.402 3.022 9.272 84 HE ARG 18 HE ARG 18 11.694 3.849 7.174 85 HH11 ARG 18 1HH1 ARG 18 10.357 5.901 9.800 86 HH12 ARG 18 2HH1 ARG 18 10.354 7.289 8.740 87 HH21 ARG 18 1HH2 ARG 18 11.316 5.616 5.894 88 HH22 ARG 18 2HH2 ARG 18 10.925 7.156 6.640 89 H CYS 19 H CYS 19 7.740 -1.419 9.397 90 HA CYS 19 HA CYS 19 9.499 -2.948 11.137 91 HB3 CYS 19 2HB CYS 19 7.327 -1.167 12.347 92 HG CYS 19 HG CYS 19 9.506 -3.126 13.900 93 H ALA 20 H ALA 20 8.638 -4.990 11.453 94 HA ALA 20 HA ALA 20 6.713 -5.928 9.621 95 HB1 ALA 20 1HB ALA 20 7.713 -7.146 12.235 96 HB2 ALA 20 2HB ALA 20 6.852 -8.018 10.956 97 HB3 ALA 20 3HB ALA 20 8.453 -7.325 10.623 98 H ALA 21 H ALA 21 6.206 -5.029 13.040 99 HA ALA 21 HA ALA 21 3.582 -6.048 13.340 100 HB1 ALA 21 1HB ALA 21 4.871 -3.577 14.607 101 HB2 ALA 21 2HB ALA 21 3.427 -4.419 15.198 102 HB3 ALA 21 3HB ALA 21 4.989 -5.249 15.205 103 H CYS 22 H CYS 22 4.565 -2.749 12.201 104 HA CYS 22 HA CYS 22 1.755 -2.142 11.677 105 HB3 CYS 22 2HB CYS 22 3.160 -0.418 12.692 106 HG CYS 22 HG CYS 22 5.079 0.933 11.521 107 H ALA 23 H ALA 23 4.553 -2.953 9.621 108 HA ALA 23 HA ALA 23 3.266 -2.764 7.101 109 HB1 ALA 23 1HB ALA 23 4.872 -4.468 6.490 110 HB2 ALA 23 2HB ALA 23 5.646 -3.337 7.594 111 HB3 ALA 23 3HB ALA 23 5.117 -4.932 8.182 112 H SER 24 H SER 24 2.907 -5.252 9.684 113 HA SER 24 HA SER 24 1.070 -6.874 8.088 114 HB3 SER 24 2HB SER 24 0.706 -8.040 10.293 115 HG SER 24 HG SER 24 3.005 -8.635 10.484 116 H SER 25 H SER 25 0.614 -4.071 10.150 117 HA SER 25 HA SER 25 -2.259 -4.432 10.503 118 HB3 SER 25 2HB SER 25 -2.274 -2.190 11.343 119 HG SER 25 HG SER 25 -1.314 -3.214 12.952 120 H ILE 26 H ILE 26 -0.173 -2.939 8.058 121 HA ILE 26 HA ILE 26 -2.501 -2.083 6.435 122 HB ILE 26 HB ILE 26 0.480 -2.246 5.895 123 HG13 ILE 26 2HG1 ILE 26 -1.476 0.098 5.823 124 HG21 ILE 26 1HG2 ILE 26 -0.521 -2.968 3.804 125 HG22 ILE 26 2HG2 ILE 26 -1.743 -1.671 3.888 126 HG23 ILE 26 3HG2 ILE 26 -0.032 -1.294 3.622 127 HD11 ILE 26 3HD1 ILE 26 -0.682 -0.241 8.138 128 HD12 ILE 26 1HD1 ILE 26 0.991 -0.310 7.545 129 HD13 ILE 26 2HD1 ILE 26 0.071 1.196 7.398 130 H GLU 27 H GLU 27 -0.116 -4.808 6.224 131 HA GLU 27 HA GLU 27 -1.222 -5.766 3.843 132 HB3 GLU 27 2HB GLU 27 0.255 -7.528 5.840 133 HG3 GLU 27 2HG GLU 27 0.151 -7.399 2.787 134 H ARG 28 H ARG 28 -2.136 -6.719 7.177 135 HA ARG 28 HA ARG 28 -3.829 -8.918 6.488 136 HB3 ARG 28 2HB ARG 28 -4.066 -6.927 8.786 137 HG3 ARG 28 2HG ARG 28 -5.235 -9.737 8.466 138 HD3 ARG 28 2HD ARG 28 -5.212 -7.760 10.765 139 HE ARG 28 HE ARG 28 -7.449 -8.234 10.832 140 HH11 ARG 28 1HH1 ARG 28 -5.815 -11.370 10.372 141 HH12 ARG 28 2HH1 ARG 28 -7.321 -12.227 10.630 142 HH21 ARG 28 1HH2 ARG 28 -9.283 -9.418 11.089 143 HH22 ARG 28 2HH2 ARG 28 -9.270 -11.135 10.812 144 H ALA 29 H ALA 29 -4.523 -5.405 6.606 145 HA ALA 29 HA ALA 29 -7.372 -5.828 5.943 146 HB1 ALA 29 1HB ALA 29 -5.713 -3.299 6.293 147 HB2 ALA 29 2HB ALA 29 -7.468 -3.370 6.011 148 HB3 ALA 29 3HB ALA 29 -6.783 -4.040 7.515 149 H LEU 30 H LEU 30 -4.385 -4.831 4.263 150 HA LEU 30 HA LEU 30 -5.453 -3.418 2.173 151 HB3 LEU 30 2HB LEU 30 -3.039 -5.261 2.129 152 HG LEU 30 HG LEU 30 -3.417 -4.595 -0.171 153 HD11 LEU 30 1HD1 LEU 30 -3.789 -1.756 0.889 154 HD12 LEU 30 2HD1 LEU 30 -4.979 -2.743 0.013 155 HD13 LEU 30 3HD1 LEU 30 -3.545 -2.167 -0.827 156 HD21 LEU 30 3HD2 LEU 30 -1.105 -4.399 0.777 157 HD22 LEU 30 1HD2 LEU 30 -1.408 -2.676 1.085 158 HD23 LEU 30 2HD2 LEU 30 -1.401 -3.292 -0.581 159 H GLU 31 H GLU 31 -5.068 -6.992 2.172 160 HA GLU 31 HA GLU 31 -6.177 -7.239 -0.507 161 HB3 GLU 31 2HB GLU 31 -5.991 -9.619 -0.142 162 HG3 GLU 31 2HG GLU 31 -3.628 -8.326 1.296 163 H ARG 32 H ARG 32 -7.538 -6.833 2.589 164 HA ARG 32 HA ARG 32 -10.207 -7.835 1.866 165 HB3 ARG 32 2HB ARG 32 -10.753 -7.280 4.247 166 HG3 ARG 32 2HG ARG 32 -8.339 -9.118 3.894 167 HD3 ARG 32 2HD ARG 32 -10.437 -8.826 6.073 168 HE ARG 32 HE ARG 32 -10.211 -11.100 6.189 169 HH11 ARG 32 1HH1 ARG 32 -6.910 -9.772 5.973 170 HH12 ARG 32 2HH1 ARG 32 -6.218 -11.353 6.296 171 HH21 ARG 32 1HH2 ARG 32 -9.225 -13.048 6.440 172 HH22 ARG 32 2HH2 ARG 32 -7.498 -13.148 6.665 173 H LEU 33 H LEU 33 -8.472 -4.918 1.491 174 HA LEU 33 HA LEU 33 -10.784 -3.122 1.576 175 HB3 LEU 33 2HB LEU 33 -9.446 -1.620 0.207 176 HG LEU 33 HG LEU 33 -7.510 -2.919 2.132 177 HD11 LEU 33 1HD1 LEU 33 -6.627 -1.256 0.442 178 HD12 LEU 33 2HD1 LEU 33 -6.399 -0.780 2.134 179 HD13 LEU 33 3HD1 LEU 33 -7.699 -0.050 1.166 180 HD21 LEU 33 3HD2 LEU 33 -9.524 -2.382 3.408 181 HD22 LEU 33 1HD2 LEU 33 -9.551 -0.746 2.702 182 HD23 LEU 33 2HD2 LEU 33 -8.228 -1.237 3.780 183 H LYS 34 H LYS 34 -11.479 -2.026 -0.495 184 HA LYS 34 HA LYS 34 -12.633 -3.985 -2.324 185 HB3 LYS 34 2HB LYS 34 -13.863 -2.020 -1.460 186 HG3 LYS 34 2HG LYS 34 -12.164 -0.348 -3.373 187 HD3 LYS 34 2HD LYS 34 -14.294 0.435 -1.341 188 HE3 LYS 34 2HE LYS 34 -12.944 2.021 -3.569 189 HZ1 LYS 34 3HZ LYS 34 -14.230 3.845 -2.673 190 HZ2 LYS 34 1HZ LYS 34 -14.803 2.909 -1.434 191 HZ3 LYS 34 2HZ LYS 34 -15.255 2.612 -2.969 192 H GLY 35 H GLY 35 -12.351 -4.000 -4.611 193 HA2 GLY 35 2HA GLY 35 -11.429 -3.654 -6.685 194 HA3 GLY 35 3HA GLY 35 -10.676 -2.188 -6.034 195 H VAL 36 H VAL 36 -8.931 -3.483 -4.140 196 HA VAL 36 HA VAL 36 -6.795 -4.259 -5.942 197 HB VAL 36 HB VAL 36 -5.309 -4.249 -4.109 198 HG11 VAL 36 1HG1 VAL 36 -6.171 -1.985 -4.841 199 HG12 VAL 36 2HG1 VAL 36 -7.317 -2.033 -3.495 200 HG13 VAL 36 3HG1 VAL 36 -5.574 -2.032 -3.179 201 HG21 VAL 36 3HG2 VAL 36 -6.020 -3.953 -1.773 202 HG22 VAL 36 1HG2 VAL 36 -7.716 -4.212 -2.243 203 HG23 VAL 36 2HG2 VAL 36 -6.517 -5.519 -2.416 204 H ALA 37 H ALA 37 -5.592 -6.152 -6.002 205 HA ALA 37 HA ALA 37 -7.240 -8.594 -5.547 206 HB1 ALA 37 1HB ALA 37 -5.966 -9.483 -7.440 207 HB2 ALA 37 2HB ALA 37 -6.696 -7.924 -7.867 208 HB3 ALA 37 3HB ALA 37 -4.962 -8.020 -7.487 209 H GLU 38 H GLU 38 -3.773 -7.528 -5.250 210 HA GLU 38 HA GLU 38 -3.274 -9.450 -3.183 211 HB3 GLU 38 2HB GLU 38 -3.313 -11.083 -4.922 212 HG3 GLU 38 2HG GLU 38 -1.200 -9.439 -6.367 213 H ALA 39 H ALA 39 -1.186 -9.284 -2.163 214 HA ALA 39 HA ALA 39 0.498 -7.022 -3.012 215 HB1 ALA 39 1HB ALA 39 -1.580 -6.013 -2.047 216 HB2 ALA 39 2HB ALA 39 -1.239 -6.844 -0.515 217 HB3 ALA 39 3HB ALA 39 -0.115 -5.608 -1.133 218 H SER 40 H SER 40 2.219 -6.460 -1.559 219 HA SER 40 HA SER 40 2.954 -8.335 0.604 220 HB3 SER 40 2HB SER 40 5.076 -8.961 -0.348 221 HG SER 40 HG SER 40 2.794 -9.861 -1.266 222 H VAL 41 H VAL 41 3.775 -7.122 2.217 223 HA VAL 41 HA VAL 41 4.972 -4.493 1.804 224 HB VAL 41 HB VAL 41 5.342 -4.464 4.219 225 HG11 VAL 41 1HG1 VAL 41 3.154 -3.848 3.330 226 HG12 VAL 41 2HG1 VAL 41 2.598 -5.523 3.445 227 HG13 VAL 41 3HG1 VAL 41 3.007 -4.608 4.909 228 HG21 VAL 41 3HG2 VAL 41 6.039 -6.632 4.834 229 HG22 VAL 41 1HG2 VAL 41 4.450 -6.454 5.591 230 HG23 VAL 41 2HG2 VAL 41 4.630 -7.417 4.125 231 H THR 42 H THR 42 7.040 -3.774 2.191 232 HA THR 42 HA THR 42 9.271 -5.778 2.382 233 HB THR 42 HB THR 42 9.191 -3.233 0.728 234 HG1 THR 42 1HG THR 42 9.546 -4.997 -0.906 235 HG21 THR 42 3HG2 THR 42 11.360 -3.951 -0.086 236 HG22 THR 42 1HG2 THR 42 11.297 -5.435 0.899 237 HG23 THR 42 2HG2 THR 42 11.446 -3.843 1.673 238 H VAL 43 H VAL 43 9.557 -5.569 4.530 239 HA VAL 43 HA VAL 43 9.221 -3.094 5.961 240 HB VAL 43 HB VAL 43 10.235 -5.844 6.708 241 HG11 VAL 43 1HG1 VAL 43 10.104 -5.175 9.118 242 HG12 VAL 43 2HG1 VAL 43 11.461 -4.425 8.276 243 HG13 VAL 43 3HG1 VAL 43 9.997 -3.474 8.614 244 HG21 VAL 43 3HG2 VAL 43 8.112 -5.923 7.916 245 HG22 VAL 43 1HG2 VAL 43 7.816 -4.199 7.568 246 HG23 VAL 43 2HG2 VAL 43 7.785 -5.394 6.260 247 H ALA 44 H ALA 44 12.158 -4.653 4.633 248 HA ALA 44 HA ALA 44 14.058 -3.386 6.325 249 HB1 ALA 44 1HB ALA 44 14.519 -5.386 4.973 250 HB2 ALA 44 2HB ALA 44 14.342 -4.441 3.474 251 HB3 ALA 44 3HB ALA 44 15.674 -4.100 4.588 252 H THR 45 H THR 45 12.406 -2.061 3.539 253 HA THR 45 HA THR 45 13.969 0.498 3.784 254 HB THR 45 HB THR 45 12.826 0.947 1.504 255 HG1 THR 45 1HG THR 45 12.923 -1.837 1.231 256 HG21 THR 45 3HG2 THR 45 15.175 0.691 1.509 257 HG22 THR 45 1HG2 THR 45 14.581 -0.422 0.276 258 HG23 THR 45 2HG2 THR 45 15.095 -1.039 1.865 259 H GLY 46 H GLY 46 10.787 -0.924 4.214 260 HA2 GLY 46 2HA GLY 46 8.721 0.044 4.629 261 HA3 GLY 46 3HA GLY 46 9.457 1.662 4.675 262 H ARG 47 H ARG 47 8.975 -1.047 2.404 263 HA ARG 47 HA ARG 47 7.771 0.776 0.375 264 HB3 ARG 47 2HB ARG 47 8.914 -0.635 -1.398 265 HG3 ARG 47 2HG ARG 47 10.756 0.996 0.402 266 HD3 ARG 47 2HD ARG 47 11.961 -0.367 -1.311 267 HE ARG 47 HE ARG 47 10.822 -0.545 -3.288 268 HH11 ARG 47 1HH1 ARG 47 11.096 2.965 -2.644 269 HH12 ARG 47 2HH1 ARG 47 10.106 3.347 -4.046 270 HH21 ARG 47 1HH2 ARG 47 10.092 0.127 -5.281 271 HH22 ARG 47 2HH2 ARG 47 9.868 1.832 -5.641 272 H LEU 48 H LEU 48 6.635 -0.623 -1.358 273 HA LEU 48 HA LEU 48 5.337 -3.038 -0.268 274 HB3 LEU 48 2HB LEU 48 3.419 -0.796 -0.899 275 HG LEU 48 HG LEU 48 3.622 -2.824 1.358 276 HD11 LEU 48 1HD1 LEU 48 2.727 -0.703 2.181 277 HD12 LEU 48 2HD1 LEU 48 1.451 -1.931 2.091 278 HD13 LEU 48 3HD1 LEU 48 1.555 -0.659 0.849 279 HD21 LEU 48 3HD2 LEU 48 1.399 -3.622 0.457 280 HD22 LEU 48 1HD2 LEU 48 2.750 -3.930 -0.611 281 HD23 LEU 48 2HD2 LEU 48 1.649 -2.577 -0.961 282 H THR 49 H THR 49 4.170 -4.186 -1.777 283 HA THR 49 HA THR 49 4.111 -3.266 -4.632 284 HB THR 49 HB THR 49 4.590 -6.120 -3.669 285 HG1 THR 49 1HG THR 49 6.447 -4.981 -3.434 286 HG21 THR 49 3HG2 THR 49 5.027 -6.544 -6.086 287 HG22 THR 49 1HG2 THR 49 4.529 -4.879 -6.461 288 HG23 THR 49 2HG2 THR 49 3.357 -6.049 -5.801 289 H VAL 50 H VAL 50 2.106 -3.259 -5.400 290 HA VAL 50 HA VAL 50 0.020 -5.019 -4.198 291 HB VAL 50 HB VAL 50 -0.095 -2.839 -3.033 292 HG11 VAL 50 1HG1 VAL 50 -0.800 -1.641 -5.749 293 HG12 VAL 50 2HG1 VAL 50 -0.864 -0.818 -4.185 294 HG13 VAL 50 3HG1 VAL 50 0.695 -1.347 -4.846 295 HG21 VAL 50 3HG2 VAL 50 -2.146 -4.187 -3.309 296 HG22 VAL 50 1HG2 VAL 50 -2.490 -2.450 -3.278 297 HG23 VAL 50 2HG2 VAL 50 -2.518 -3.327 -4.814 298 H THR 51 H THR 51 -1.554 -5.676 -5.543 299 HA THR 51 HA THR 51 -1.479 -4.902 -8.441 300 HB THR 51 HB THR 51 -2.212 -7.530 -7.057 301 HG1 THR 51 1HG THR 51 -0.020 -7.386 -7.267 302 HG21 THR 51 3HG2 THR 51 -3.603 -7.154 -9.135 303 HG22 THR 51 1HG2 THR 51 -2.396 -8.421 -9.386 304 HG23 THR 51 2HG2 THR 51 -2.132 -6.799 -10.054 305 H TYR 52 H TYR 52 -3.289 -3.982 -9.211 306 HA TYR 52 HA TYR 52 -5.901 -4.528 -7.991 307 HB3 TYR 52 2HB TYR 52 -5.007 -2.882 -6.494 308 HD1 TYR 52 1HD TYR 52 -5.682 -0.731 -9.533 309 HD2 TYR 52 2HD TYR 52 -3.132 -1.577 -6.172 310 HE1 TYR 52 1HE TYR 52 -4.403 1.347 -9.983 311 HE2 TYR 52 2HE TYR 52 -1.872 0.521 -6.594 312 HH TYR 52 HH TYR 52 -1.726 2.445 -7.860 313 H ASP 53 H ASP 53 -7.698 -3.206 -9.005 314 HA ASP 53 HA ASP 53 -7.468 -3.289 -11.919 315 HB3 ASP 53 2HB ASP 53 -9.786 -2.823 -10.012 316 HA PRO 54 HA PRO 54 -6.385 1.049 -11.348 317 HB3 PRO 54 2HB PRO 54 -4.658 0.567 -12.831 318 HG3 PRO 54 2HG PRO 54 -5.024 -0.786 -14.771 319 HD3 PRO 54 2HD PRO 54 -5.685 -2.114 -12.955 320 H LYS 55 H LYS 55 -9.250 0.013 -12.389 321 HA LYS 55 HA LYS 55 -10.175 2.669 -13.497 322 HB3 LYS 55 2HB LYS 55 -11.989 1.533 -14.585 323 HG3 LYS 55 2HG LYS 55 -9.468 -0.068 -15.216 324 HD3 LYS 55 2HD LYS 55 -11.938 0.427 -16.933 325 HE3 LYS 55 2HE LYS 55 -9.441 -1.283 -17.213 326 HZ1 LYS 55 3HZ LYS 55 -11.397 -2.655 -17.643 327 HZ2 LYS 55 1HZ LYS 55 -10.518 -2.418 -19.016 328 HZ3 LYS 55 2HZ LYS 55 -11.938 -1.616 -18.776 329 H GLN 56 H GLN 56 -11.071 -0.151 -11.493 330 HA GLN 56 HA GLN 56 -13.072 1.164 -9.871 331 HB3 GLN 56 2HB GLN 56 -12.530 -0.747 -8.277 332 HG3 GLN 56 2HG GLN 56 -13.029 -2.667 -9.867 333 HE21 GLN 56 1HE2 GLN 56 -15.339 -2.914 -10.935 334 HE22 GLN 56 2HE2 GLN 56 -16.581 -1.929 -10.179 335 H VAL 57 H VAL 57 -9.454 0.892 -9.508 336 HA VAL 57 HA VAL 57 -9.648 2.998 -7.429 337 HB VAL 57 HB VAL 57 -8.315 1.821 -5.786 338 HG11 VAL 57 1HG1 VAL 57 -9.921 0.217 -4.916 339 HG12 VAL 57 2HG1 VAL 57 -10.759 1.639 -5.549 340 HG13 VAL 57 3HG1 VAL 57 -10.742 0.118 -6.475 341 HG21 VAL 57 3HG2 VAL 57 -8.560 -0.662 -7.556 342 HG22 VAL 57 1HG2 VAL 57 -7.069 0.261 -7.261 343 HG23 VAL 57 2HG2 VAL 57 -7.855 -0.598 -5.931 344 H SER 58 H SER 58 -7.287 3.353 -6.466 345 HA SER 58 HA SER 58 -5.079 3.145 -8.340 346 HB3 SER 58 2HB SER 58 -6.415 5.116 -9.201 347 HG SER 58 HG SER 58 -7.095 6.271 -7.489 348 H GLU 59 H GLU 59 -3.457 5.227 -7.148 349 HA GLU 59 HA GLU 59 -2.416 4.151 -4.806 350 HB3 GLU 59 2HB GLU 59 -1.430 5.982 -6.244 351 HG3 GLU 59 2HG GLU 59 -3.006 7.886 -4.444 352 H ILE 60 H ILE 60 -5.287 6.078 -5.117 353 HA ILE 60 HA ILE 60 -5.574 7.242 -2.536 354 HB ILE 60 HB ILE 60 -7.480 6.329 -4.725 355 HG13 ILE 60 2HG1 ILE 60 -7.775 8.672 -5.215 356 HG21 ILE 60 1HG2 ILE 60 -8.206 7.595 -2.097 357 HG22 ILE 60 2HG2 ILE 60 -9.244 7.723 -3.548 358 HG23 ILE 60 3HG2 ILE 60 -8.874 6.135 -2.873 359 HD11 ILE 60 3HD1 ILE 60 -6.374 10.438 -4.311 360 HD12 ILE 60 1HD1 ILE 60 -7.352 9.742 -3.009 361 HD13 ILE 60 2HD1 ILE 60 -5.624 9.331 -3.157 362 H THR 61 H THR 61 -6.852 4.077 -3.662 363 HA THR 61 HA THR 61 -8.255 3.591 -1.218 364 HB THR 61 HB THR 61 -7.351 1.769 -3.477 365 HG1 THR 61 1HG THR 61 -9.798 3.025 -2.711 366 HG21 THR 61 3HG2 THR 61 -9.307 1.161 -1.204 367 HG22 THR 61 1HG2 THR 61 -7.793 0.294 -1.566 368 HG23 THR 61 2HG2 THR 61 -9.146 0.209 -2.695 369 H ILE 62 H ILE 62 -4.977 2.793 -2.174 370 HA ILE 62 HA ILE 62 -4.493 1.302 0.334 371 HB ILE 62 HB ILE 62 -3.538 0.464 -1.722 372 HG13 ILE 62 2HG1 ILE 62 -2.357 0.102 0.422 373 HG21 ILE 62 1HG2 ILE 62 -1.896 3.017 -1.961 374 HG22 ILE 62 2HG2 ILE 62 -1.788 1.585 -3.007 375 HG23 ILE 62 3HG2 ILE 62 -3.251 2.540 -3.013 376 HD11 ILE 62 3HD1 ILE 62 -0.299 -0.746 -0.439 377 HD12 ILE 62 1HD1 ILE 62 -1.481 -0.936 -1.736 378 HD13 ILE 62 2HD1 ILE 62 -0.290 0.387 -1.805 379 H GLN 63 H GLN 63 -3.784 4.582 -0.966 380 HA GLN 63 HA GLN 63 -2.206 5.533 1.193 381 HB3 GLN 63 2HB GLN 63 -4.366 7.086 -0.301 382 HG3 GLN 63 2HG GLN 63 -3.286 8.284 1.650 383 HE21 GLN 63 1HE2 GLN 63 -0.935 9.030 -0.939 384 HE22 GLN 63 2HE2 GLN 63 0.482 8.584 0.009 385 H GLU 64 H GLU 64 -5.807 5.482 0.880 386 HA GLU 64 HA GLU 64 -6.524 6.553 3.375 387 HB3 GLU 64 2HB GLU 64 -8.558 4.994 3.083 388 HG3 GLU 64 2HG GLU 64 -7.674 6.772 0.778 389 H ARG 65 H ARG 65 -5.041 3.431 2.867 390 HA ARG 65 HA ARG 65 -5.761 2.487 5.584 391 HB3 ARG 65 2HB ARG 65 -4.163 1.153 3.353 392 HG3 ARG 65 2HG ARG 65 -3.622 -0.008 5.376 393 HD3 ARG 65 2HD ARG 65 -5.245 0.659 7.002 394 HE ARG 65 HE ARG 65 -7.221 0.367 5.099 395 HH11 ARG 65 1HH1 ARG 65 -6.966 -0.976 8.416 396 HH12 ARG 65 2HH1 ARG 65 -8.668 -0.652 8.675 397 HH21 ARG 65 1HH2 ARG 65 -9.295 0.429 5.442 398 HH22 ARG 65 2HH2 ARG 65 -10.022 -0.158 6.926 399 H ILE 66 H ILE 66 -2.790 3.353 3.700 400 HA ILE 66 HA ILE 66 -1.026 3.105 6.027 401 HB ILE 66 HB ILE 66 -0.718 4.546 3.352 402 HG13 ILE 66 2HG1 ILE 66 0.752 2.169 4.616 403 HG21 ILE 66 1HG2 ILE 66 0.520 5.858 5.044 404 HG22 ILE 66 2HG2 ILE 66 1.248 4.342 5.658 405 HG23 ILE 66 3HG2 ILE 66 1.636 4.970 4.034 406 HD11 ILE 66 3HD1 ILE 66 -1.287 1.349 3.468 407 HD12 ILE 66 1HD1 ILE 66 -0.845 2.329 2.043 408 HD13 ILE 66 2HD1 ILE 66 0.166 0.958 2.512 409 H ALA 67 H ALA 67 -2.757 5.899 4.625 410 HA ALA 67 HA ALA 67 -1.753 7.842 6.385 411 HB1 ALA 67 1HB ALA 67 -3.531 9.244 5.473 412 HB2 ALA 67 2HB ALA 67 -2.783 8.280 4.192 413 HB3 ALA 67 3HB ALA 67 -4.373 7.812 4.843 414 H ALA 68 H ALA 68 -4.275 5.496 6.934 415 HA ALA 68 HA ALA 68 -5.395 6.855 9.308 416 HB1 ALA 68 1HB ALA 68 -6.826 5.631 7.696 417 HB2 ALA 68 2HB ALA 68 -5.929 4.133 8.021 418 HB3 ALA 68 3HB ALA 68 -6.889 4.895 9.312 419 H LEU 69 H LEU 69 -3.175 4.155 8.537 420 HA LEU 69 HA LEU 69 -2.844 3.388 11.332 421 HB3 LEU 69 2HB LEU 69 -0.828 2.113 10.082 422 HG LEU 69 HG LEU 69 -2.446 0.309 9.444 423 HD11 LEU 69 1HD1 LEU 69 -2.772 1.462 12.247 424 HD12 LEU 69 2HD1 LEU 69 -1.475 0.390 11.682 425 HD13 LEU 69 3HD1 LEU 69 -3.147 -0.191 11.753 426 HD21 LEU 69 3HD2 LEU 69 -4.793 0.457 10.019 427 HD22 LEU 69 1HD2 LEU 69 -4.408 1.720 8.842 428 HD23 LEU 69 2HD2 LEU 69 -4.626 2.125 10.556 429 H GLY 70 H GLY 70 -1.484 5.969 9.579 430 HA2 GLY 70 2HA GLY 70 -0.737 7.695 11.132 431 HA3 GLY 70 3HA GLY 70 0.228 6.494 12.003 432 H TYR 71 H TYR 71 0.361 6.402 8.525 433 HA TYR 71 HA TYR 71 2.896 7.999 8.466 434 HB3 TYR 71 2HB TYR 71 4.074 6.277 7.426 435 HD1 TYR 71 2HD TYR 71 4.382 6.307 10.082 436 HD2 TYR 71 1HD TYR 71 1.864 3.535 7.947 437 HE1 TYR 71 2HE TYR 71 4.413 4.771 12.032 438 HE2 TYR 71 1HE TYR 71 1.885 2.004 9.906 439 HH TYR 71 HH TYR 71 3.791 2.722 12.871 440 H THR 72 H THR 72 3.493 7.906 5.792 441 HA THR 72 HA THR 72 0.998 8.198 4.176 442 HB THR 72 HB THR 72 3.203 10.268 4.406 443 HG1 THR 72 1HG THR 72 1.507 10.753 5.629 444 HG21 THR 72 3HG2 THR 72 2.949 9.971 1.990 445 HG22 THR 72 1HG2 THR 72 2.132 11.445 2.501 446 HG23 THR 72 2HG2 THR 72 1.173 9.989 2.143 447 H LEU 73 H LEU 73 1.129 7.454 2.183 448 HA LEU 73 HA LEU 73 3.470 5.830 1.356 449 HB3 LEU 73 2HB LEU 73 0.519 5.960 0.595 450 HG LEU 73 HG LEU 73 2.699 4.349 -0.722 451 HD11 LEU 73 1HD1 LEU 73 0.911 2.642 -1.278 452 HD12 LEU 73 2HD1 LEU 73 -0.163 3.464 -0.133 453 HD13 LEU 73 3HD1 LEU 73 1.328 2.677 0.439 454 HD21 LEU 73 3HD2 LEU 73 1.259 4.613 -2.709 455 HD22 LEU 73 1HD2 LEU 73 1.575 6.202 -2.019 456 HD23 LEU 73 2HD2 LEU 73 0.013 5.421 -1.735 457 H ALA 74 H ALA 74 4.455 6.026 -0.643 458 HA ALA 74 HA ALA 74 3.734 8.343 -2.364 459 HB1 ALA 74 1HB ALA 74 6.146 8.915 -2.501 460 HB2 ALA 74 2HB ALA 74 5.499 9.121 -0.857 461 HB3 ALA 74 3HB ALA 74 6.501 7.706 -1.255 462 H GLU 75 H GLU 75 3.252 7.580 -4.262 463 HA GLU 75 HA GLU 75 5.190 5.800 -5.668 464 HB3 GLU 75 2HB GLU 75 2.258 5.977 -6.401 465 HG3 GLU 75 2HG GLU 75 2.634 3.637 -7.093 466 HA PRO 76 HA PRO 76 5.191 10.165 -6.909 467 HB3 PRO 76 2HB PRO 76 7.222 10.248 -5.838 468 HG3 PRO 76 2HG PRO 76 8.837 8.485 -6.077 469 HD3 PRO 76 2HD PRO 76 6.855 7.510 -5.250 Start of MODEL 19 1 H2 PRO 6 2H PRO 6 -8.953 -4.608 -16.627 2 HA PRO 6 HA PRO 6 -6.889 -6.676 -16.722 3 HB3 PRO 6 2HB PRO 6 -5.645 -5.610 -18.325 4 HG3 PRO 6 2HG PRO 6 -7.313 -5.642 -19.951 5 HD3 PRO 6 2HD PRO 6 -8.791 -6.780 -18.593 6 H LEU 7 H LEU 7 -4.781 -5.750 -15.642 7 HA LEU 7 HA LEU 7 -5.209 -3.764 -13.560 8 HB3 LEU 7 2HB LEU 7 -6.400 -5.790 -12.714 9 HG LEU 7 HG LEU 7 -3.636 -7.042 -12.402 10 HD11 LEU 7 1HD1 LEU 7 -6.411 -8.065 -11.660 11 HD12 LEU 7 2HD1 LEU 7 -5.284 -7.276 -10.543 12 HD13 LEU 7 3HD1 LEU 7 -4.850 -8.830 -11.281 13 HD21 LEU 7 3HD2 LEU 7 -5.926 -7.988 -14.184 14 HD22 LEU 7 1HD2 LEU 7 -4.531 -8.983 -13.711 15 HD23 LEU 7 2HD2 LEU 7 -4.277 -7.550 -14.697 16 H LYS 8 H LYS 8 -3.291 -3.354 -12.287 17 HA LYS 8 HA LYS 8 -0.760 -4.101 -13.732 18 HB3 LYS 8 2HB LYS 8 -0.139 -1.737 -13.699 19 HG3 LYS 8 2HG LYS 8 -2.945 -1.999 -14.878 20 HD3 LYS 8 2HD LYS 8 -2.242 -0.260 -16.434 21 HE3 LYS 8 2HE LYS 8 -1.764 0.719 -13.582 22 HZ1 LYS 8 3HZ LYS 8 -3.084 2.052 -15.868 23 HZ2 LYS 8 1HZ LYS 8 -1.525 2.341 -15.428 24 HZ3 LYS 8 2HZ LYS 8 -2.757 2.719 -14.407 25 H THR 9 H THR 9 1.014 -4.445 -12.455 26 HA THR 9 HA THR 9 0.825 -4.153 -9.526 27 HB THR 9 HB THR 9 1.879 -6.134 -10.631 28 HG1 THR 9 1HG THR 9 3.179 -6.278 -8.908 29 HG21 THR 9 3HG2 THR 9 4.192 -6.048 -11.294 30 HG22 THR 9 1HG2 THR 9 4.331 -4.328 -10.888 31 HG23 THR 9 2HG2 THR 9 3.351 -4.838 -12.277 32 H GLN 10 H GLN 10 2.521 -3.112 -8.275 33 HA GLN 10 HA GLN 10 4.117 -0.996 -9.386 34 HB3 GLN 10 2HB GLN 10 1.614 -0.280 -7.783 35 HG3 GLN 10 2HG GLN 10 3.443 1.250 -7.107 36 HE21 GLN 10 1HE2 GLN 10 3.017 3.441 -9.630 37 HE22 GLN 10 2HE2 GLN 10 4.555 3.177 -10.453 38 H GLN 11 H GLN 11 5.555 -0.160 -7.842 39 HA GLN 11 HA GLN 11 5.618 -1.533 -5.192 40 HB3 GLN 11 2HB GLN 11 7.999 -0.321 -6.629 41 HG3 GLN 11 2HG GLN 11 7.911 -2.636 -4.650 42 HE21 GLN 11 1HE2 GLN 11 9.708 -3.173 -6.451 43 HE22 GLN 11 2HE2 GLN 11 11.279 -2.454 -6.107 44 H MET 12 H MET 12 5.714 -0.189 -3.398 45 HA MET 12 HA MET 12 5.292 2.736 -3.897 46 HB3 MET 12 2HB MET 12 3.509 0.714 -2.481 47 HG3 MET 12 2HG MET 12 3.106 3.715 -2.774 48 HE1 MET 12 3HE MET 12 0.978 1.862 -4.369 49 HE2 MET 12 1HE MET 12 -0.465 2.718 -3.798 50 HE3 MET 12 2HE MET 12 1.005 3.633 -4.172 51 H GLN 13 H GLN 13 5.702 4.101 -2.153 52 HA GLN 13 HA GLN 13 7.344 2.880 0.029 53 HB3 GLN 13 2HB GLN 13 8.239 5.247 0.244 54 HG3 GLN 13 2HG GLN 13 8.683 3.926 -2.467 55 HE21 GLN 13 1HE2 GLN 13 11.395 3.851 -2.389 56 HE22 GLN 13 2HE2 GLN 13 12.019 5.503 -2.458 57 H VAL 14 H VAL 14 7.190 3.835 2.120 58 HA VAL 14 HA VAL 14 4.563 4.934 2.901 59 HB VAL 14 HB VAL 14 3.830 2.764 2.681 60 HG11 VAL 14 1HG1 VAL 14 4.934 0.727 3.579 61 HG12 VAL 14 2HG1 VAL 14 5.801 1.481 2.241 62 HG13 VAL 14 3HG1 VAL 14 6.391 1.696 3.898 63 HG21 VAL 14 3HG2 VAL 14 4.632 2.858 5.605 64 HG22 VAL 14 1HG2 VAL 14 3.301 3.775 4.876 65 HG23 VAL 14 2HG2 VAL 14 3.259 2.003 4.878 66 H GLY 15 H GLY 15 5.216 6.521 4.112 67 HA2 GLY 15 2HA GLY 15 7.703 6.587 5.543 68 HA3 GLY 15 3HA GLY 15 6.409 7.802 5.610 69 H GLY 16 H GLY 16 7.944 5.170 7.178 70 HA2 GLY 16 2HA GLY 16 7.815 5.275 9.668 71 HA3 GLY 16 3HA GLY 16 6.057 5.251 9.509 72 H MET 17 H MET 17 6.637 3.140 7.156 73 HA MET 17 HA MET 17 6.857 0.772 8.961 74 HB3 MET 17 2HB MET 17 6.422 0.821 5.962 75 HG3 MET 17 2HG MET 17 5.585 -1.177 8.099 76 HE1 MET 17 3HE MET 17 7.024 -2.525 4.855 77 HE2 MET 17 1HE MET 17 5.731 -2.318 3.654 78 HE3 MET 17 2HE MET 17 6.600 -0.899 4.274 79 H ARG 18 H ARG 18 8.722 -0.279 9.181 80 HA ARG 18 HA ARG 18 10.811 -0.873 7.555 81 HB3 ARG 18 2HB ARG 18 11.387 1.405 7.022 82 HG3 ARG 18 2HG ARG 18 11.812 1.884 10.001 83 HD3 ARG 18 2HD ARG 18 12.037 3.816 7.638 84 HE ARG 18 HE ARG 18 13.452 4.486 10.050 85 HH11 ARG 18 1HH1 ARG 18 10.328 4.957 8.459 86 HH12 ARG 18 2HH1 ARG 18 9.909 6.293 9.515 87 HH21 ARG 18 1HH2 ARG 18 12.872 6.184 11.344 88 HH22 ARG 18 2HH2 ARG 18 11.343 6.991 11.103 89 H CYS 19 H CYS 19 12.694 -1.655 8.689 90 HA CYS 19 HA CYS 19 13.947 -2.557 10.313 91 HB3 CYS 19 2HB CYS 19 13.994 -1.497 12.536 92 HG CYS 19 HG CYS 19 14.332 1.110 11.921 93 H ALA 20 H ALA 20 10.693 -2.293 11.815 94 HA ALA 20 HA ALA 20 10.473 -5.178 12.159 95 HB1 ALA 20 1HB ALA 20 12.005 -4.638 14.028 96 HB2 ALA 20 2HB ALA 20 10.870 -3.402 14.612 97 HB3 ALA 20 3HB ALA 20 10.412 -5.118 14.633 98 H ALA 21 H ALA 21 8.479 -5.861 12.608 99 HA ALA 21 HA ALA 21 6.243 -5.989 12.813 100 HB1 ALA 21 1HB ALA 21 7.112 -5.450 15.087 101 HB2 ALA 21 2HB ALA 21 6.712 -3.740 14.814 102 HB3 ALA 21 3HB ALA 21 5.429 -4.967 14.870 103 H CYS 22 H CYS 22 4.192 -4.373 13.423 104 HA CYS 22 HA CYS 22 2.745 -2.733 12.996 105 HB3 CYS 22 2HB CYS 22 3.642 -0.538 12.289 106 HG CYS 22 HG CYS 22 5.518 -0.061 14.112 107 H ALA 23 H ALA 23 4.511 -3.687 10.147 108 HA ALA 23 HA ALA 23 2.986 -2.658 8.047 109 HB1 ALA 23 1HB ALA 23 4.273 -5.407 8.285 110 HB2 ALA 23 2HB ALA 23 3.939 -4.465 6.810 111 HB3 ALA 23 3HB ALA 23 5.129 -3.877 7.957 112 H SER 24 H SER 24 2.149 -5.265 10.270 113 HA SER 24 HA SER 24 0.053 -6.631 9.026 114 HB3 SER 24 2HB SER 24 -0.944 -6.691 11.399 115 HG SER 24 HG SER 24 1.831 -7.306 11.258 116 H SER 25 H SER 25 -0.156 -3.360 10.516 117 HA SER 25 HA SER 25 -3.049 -3.297 10.320 118 HB3 SER 25 2HB SER 25 -2.911 -1.025 11.068 119 HG SER 25 HG SER 25 -1.859 -1.291 12.940 120 H ILE 26 H ILE 26 -0.635 -2.839 8.016 121 HA ILE 26 HA ILE 26 -2.490 -1.516 6.074 122 HB ILE 26 HB ILE 26 0.491 -1.973 6.166 123 HG13 ILE 26 2HG1 ILE 26 -1.178 0.330 5.055 124 HG21 ILE 26 1HG2 ILE 26 0.708 -1.534 3.762 125 HG22 ILE 26 2HG2 ILE 26 -0.055 -3.080 4.053 126 HG23 ILE 26 3HG2 ILE 26 -1.054 -1.692 3.555 127 HD11 ILE 26 3HD1 ILE 26 -0.284 1.664 6.949 128 HD12 ILE 26 1HD1 ILE 26 -1.436 0.428 7.482 129 HD13 ILE 26 2HD1 ILE 26 0.317 0.175 7.706 130 H GLU 27 H GLU 27 -0.496 -4.524 6.398 131 HA GLU 27 HA GLU 27 -1.626 -5.501 3.965 132 HB3 GLU 27 2HB GLU 27 -0.245 -7.272 5.988 133 HG3 GLU 27 2HG GLU 27 -0.202 -7.161 2.929 134 H ARG 28 H ARG 28 -2.484 -6.261 7.387 135 HA ARG 28 HA ARG 28 -4.139 -8.517 6.687 136 HB3 ARG 28 2HB ARG 28 -5.054 -8.302 8.977 137 HG3 ARG 28 2HG ARG 28 -2.023 -7.962 8.828 138 HD3 ARG 28 2HD ARG 28 -3.720 -9.365 10.926 139 HE ARG 28 HE ARG 28 -0.765 -8.750 10.879 140 HH11 ARG 28 1HH1 ARG 28 -3.312 -11.068 11.813 141 HH12 ARG 28 2HH1 ARG 28 -2.162 -12.020 12.716 142 HH21 ARG 28 1HH2 ARG 28 0.619 -10.227 11.720 143 HH22 ARG 28 2HH2 ARG 28 -0.008 -11.660 12.491 144 H ALA 29 H ALA 29 -4.726 -5.127 6.410 145 HA ALA 29 HA ALA 29 -7.650 -5.518 5.930 146 HB1 ALA 29 1HB ALA 29 -7.676 -3.060 5.742 147 HB2 ALA 29 2HB ALA 29 -6.989 -3.581 7.295 148 HB3 ALA 29 3HB ALA 29 -5.916 -3.009 5.992 149 H LEU 30 H LEU 30 -4.594 -4.741 4.185 150 HA LEU 30 HA LEU 30 -5.774 -3.997 1.734 151 HB3 LEU 30 2HB LEU 30 -3.082 -5.321 2.251 152 HG LEU 30 HG LEU 30 -3.398 -5.056 -0.168 153 HD11 LEU 30 1HD1 LEU 30 -3.991 -2.124 0.461 154 HD12 LEU 30 2HD1 LEU 30 -5.112 -3.298 -0.265 155 HD13 LEU 30 3HD1 LEU 30 -3.686 -2.783 -1.164 156 HD21 LEU 30 3HD2 LEU 30 -1.601 -2.909 1.055 157 HD22 LEU 30 1HD2 LEU 30 -1.460 -3.559 -0.590 158 HD23 LEU 30 2HD2 LEU 30 -1.174 -4.616 0.807 159 H GLU 31 H GLU 31 -5.358 -7.239 3.023 160 HA GLU 31 HA GLU 31 -5.949 -8.590 0.508 161 HB3 GLU 31 2HB GLU 31 -4.692 -9.788 2.143 162 HG3 GLU 31 2HG GLU 31 -6.997 -9.217 4.012 163 H ARG 32 H ARG 32 -7.877 -6.635 2.378 164 HA ARG 32 HA ARG 32 -10.367 -8.103 1.745 165 HB3 ARG 32 2HB ARG 32 -11.412 -7.102 3.654 166 HG3 ARG 32 2HG ARG 32 -10.123 -7.885 5.558 167 HD3 ARG 32 2HD ARG 32 -9.407 -10.213 4.778 168 HE ARG 32 HE ARG 32 -12.010 -10.107 3.582 169 HH11 ARG 32 1HH1 ARG 32 -10.363 -9.896 6.716 170 HH12 ARG 32 2HH1 ARG 32 -11.845 -10.135 7.603 171 HH21 ARG 32 1HH2 ARG 32 -13.862 -10.392 4.757 172 HH22 ARG 32 2HH2 ARG 32 -13.763 -10.619 6.492 173 H LEU 33 H LEU 33 -8.753 -4.974 1.507 174 HA LEU 33 HA LEU 33 -10.898 -3.285 0.770 175 HB3 LEU 33 2HB LEU 33 -9.217 -1.899 -0.334 176 HG LEU 33 HG LEU 33 -7.879 -3.096 2.103 177 HD11 LEU 33 1HD1 LEU 33 -7.652 -0.311 0.930 178 HD12 LEU 33 2HD1 LEU 33 -6.475 -1.611 0.666 179 HD13 LEU 33 3HD1 LEU 33 -6.742 -0.975 2.299 180 HD21 LEU 33 3HD2 LEU 33 -8.926 -1.288 3.414 181 HD22 LEU 33 1HD2 LEU 33 -10.142 -2.394 2.760 182 HD23 LEU 33 2HD2 LEU 33 -9.878 -0.805 1.994 183 H LYS 34 H LYS 34 -11.463 -2.322 -1.212 184 HA LYS 34 HA LYS 34 -12.322 -4.284 -3.144 185 HB3 LYS 34 2HB LYS 34 -13.208 -2.173 -4.308 186 HG3 LYS 34 2HG LYS 34 -13.927 -2.464 -1.362 187 HD3 LYS 34 2HD LYS 34 -15.632 -1.554 -3.724 188 HE3 LYS 34 2HE LYS 34 -16.094 -1.636 -0.705 189 HZ1 LYS 34 3HZ LYS 34 -18.313 -0.945 -1.243 190 HZ2 LYS 34 1HZ LYS 34 -18.014 -0.849 -2.834 191 HZ3 LYS 34 2HZ LYS 34 -17.267 0.206 -1.810 192 H GLY 35 H GLY 35 -11.848 -4.469 -5.351 193 HA2 GLY 35 2HA GLY 35 -10.811 -4.211 -7.388 194 HA3 GLY 35 3HA GLY 35 -10.188 -2.660 -6.807 195 H VAL 36 H VAL 36 -8.542 -3.786 -4.696 196 HA VAL 36 HA VAL 36 -6.167 -4.526 -6.118 197 HB VAL 36 HB VAL 36 -6.069 -3.308 -4.042 198 HG11 VAL 36 1HG1 VAL 36 -6.465 -4.288 -1.857 199 HG12 VAL 36 2HG1 VAL 36 -7.947 -4.320 -2.809 200 HG13 VAL 36 3HG1 VAL 36 -7.006 -5.810 -2.582 201 HG21 VAL 36 3HG2 VAL 36 -4.095 -4.591 -4.693 202 HG22 VAL 36 1HG2 VAL 36 -4.242 -4.519 -2.930 203 HG23 VAL 36 2HG2 VAL 36 -4.674 -6.006 -3.792 204 H ALA 37 H ALA 37 -5.279 -6.391 -6.632 205 HA ALA 37 HA ALA 37 -6.827 -8.915 -6.137 206 HB1 ALA 37 1HB ALA 37 -5.056 -8.095 -8.468 207 HB2 ALA 37 2HB ALA 37 -6.097 -9.528 -8.382 208 HB3 ALA 37 3HB ALA 37 -6.834 -7.914 -8.443 209 H GLU 38 H GLU 38 -3.613 -7.519 -5.779 210 HA GLU 38 HA GLU 38 -2.664 -9.844 -4.418 211 HB3 GLU 38 2HB GLU 38 -1.401 -9.308 -7.133 212 HG3 GLU 38 2HG GLU 38 -0.653 -11.155 -4.845 213 H ALA 39 H ALA 39 -1.167 -9.185 -2.882 214 HA ALA 39 HA ALA 39 0.549 -6.854 -3.364 215 HB1 ALA 39 1HB ALA 39 -0.447 -5.480 -1.607 216 HB2 ALA 39 2HB ALA 39 -1.678 -5.856 -2.823 217 HB3 ALA 39 3HB ALA 39 -1.672 -6.727 -1.277 218 H SER 40 H SER 40 1.975 -6.310 -1.584 219 HA SER 40 HA SER 40 2.109 -8.092 0.714 220 HB3 SER 40 2HB SER 40 4.397 -8.229 -1.267 221 HG SER 40 HG SER 40 5.367 -9.377 0.220 222 H VAL 41 H VAL 41 3.122 -7.256 2.425 223 HA VAL 41 HA VAL 41 4.586 -4.665 2.166 224 HB VAL 41 HB VAL 41 4.696 -4.660 4.621 225 HG11 VAL 41 1HG1 VAL 41 2.893 -3.505 3.512 226 HG12 VAL 41 2HG1 VAL 41 1.909 -4.981 3.441 227 HG13 VAL 41 3HG1 VAL 41 2.285 -4.225 5.005 228 HG21 VAL 41 3HG2 VAL 41 4.717 -6.929 5.306 229 HG22 VAL 41 1HG2 VAL 41 3.162 -6.301 5.875 230 HG23 VAL 41 2HG2 VAL 41 3.228 -7.308 4.438 231 H THR 42 H THR 42 6.718 -4.371 2.655 232 HA THR 42 HA THR 42 8.412 -6.739 3.383 233 HB THR 42 HB THR 42 9.150 -4.467 1.500 234 HG1 THR 42 1HG THR 42 8.721 -7.176 0.816 235 HG21 THR 42 3HG2 THR 42 10.555 -7.078 2.233 236 HG22 THR 42 1HG2 THR 42 11.100 -5.441 2.617 237 HG23 THR 42 2HG2 THR 42 11.051 -5.974 0.930 238 H VAL 43 H VAL 43 8.561 -6.249 5.521 239 HA VAL 43 HA VAL 43 8.849 -3.617 6.615 240 HB VAL 43 HB VAL 43 9.403 -6.372 7.758 241 HG11 VAL 43 1HG1 VAL 43 9.538 -3.709 9.256 242 HG12 VAL 43 2HG1 VAL 43 9.448 -5.313 10.015 243 HG13 VAL 43 3HG1 VAL 43 10.863 -4.880 9.060 244 HG21 VAL 43 3HG2 VAL 43 7.329 -5.884 9.017 245 HG22 VAL 43 1HG2 VAL 43 7.279 -4.256 8.305 246 HG23 VAL 43 2HG2 VAL 43 7.032 -5.687 7.281 247 H ALA 44 H ALA 44 11.357 -6.057 5.674 248 HA ALA 44 HA ALA 44 13.491 -4.838 7.084 249 HB1 ALA 44 1HB ALA 44 13.438 -7.178 6.273 250 HB2 ALA 44 2HB ALA 44 13.598 -6.591 4.594 251 HB3 ALA 44 3HB ALA 44 14.907 -6.328 5.762 252 H THR 45 H THR 45 12.210 -3.954 3.954 253 HA THR 45 HA THR 45 14.257 -1.783 3.699 254 HB THR 45 HB THR 45 13.712 -1.871 1.225 255 HG1 THR 45 1HG THR 45 13.024 -4.149 0.706 256 HG21 THR 45 3HG2 THR 45 14.943 -4.424 2.356 257 HG22 THR 45 1HG2 THR 45 15.787 -2.867 2.241 258 HG23 THR 45 2HG2 THR 45 15.248 -3.684 0.769 259 H GLY 46 H GLY 46 11.241 -2.225 4.775 260 HA2 GLY 46 2HA GLY 46 9.466 -0.881 5.176 261 HA3 GLY 46 3HA GLY 46 10.569 0.464 4.856 262 H ARG 47 H ARG 47 9.094 -2.009 2.657 263 HA ARG 47 HA ARG 47 7.694 0.182 1.220 264 HB3 ARG 47 2HB ARG 47 9.812 0.195 0.167 265 HG3 ARG 47 2HG ARG 47 10.516 -2.226 0.587 266 HD3 ARG 47 2HD ARG 47 8.941 -2.641 -1.995 267 HE ARG 47 HE ARG 47 11.430 -3.677 -1.453 268 HH11 ARG 47 1HH1 ARG 47 8.262 -5.235 -2.001 269 HH12 ARG 47 2HH1 ARG 47 9.040 -6.651 -2.672 270 HH21 ARG 47 1HH2 ARG 47 12.244 -5.692 -1.967 271 HH22 ARG 47 2HH2 ARG 47 11.188 -6.863 -2.734 272 H LEU 48 H LEU 48 6.341 -0.523 -0.542 273 HA LEU 48 HA LEU 48 4.828 -3.025 0.105 274 HB3 LEU 48 2HB LEU 48 3.084 -1.299 -1.209 275 HG LEU 48 HG LEU 48 3.573 -1.433 1.791 276 HD11 LEU 48 1HD1 LEU 48 1.368 -0.109 0.154 277 HD12 LEU 48 2HD1 LEU 48 2.555 0.719 1.183 278 HD13 LEU 48 3HD1 LEU 48 1.325 -0.322 1.918 279 HD21 LEU 48 3HD2 LEU 48 2.747 -3.551 0.823 280 HD22 LEU 48 1HD2 LEU 48 1.480 -2.688 -0.070 281 HD23 LEU 48 2HD2 LEU 48 1.434 -2.765 1.700 282 H THR 49 H THR 49 3.704 -3.993 -1.579 283 HA THR 49 HA THR 49 4.332 -3.371 -4.436 284 HB THR 49 HB THR 49 4.252 -6.215 -3.337 285 HG1 THR 49 1HG THR 49 6.117 -5.084 -2.605 286 HG21 THR 49 3HG2 THR 49 5.188 -5.040 -6.002 287 HG22 THR 49 1HG2 THR 49 3.679 -5.943 -5.744 288 HG23 THR 49 2HG2 THR 49 5.239 -6.756 -5.545 289 H VAL 50 H VAL 50 2.428 -3.326 -5.558 290 HA VAL 50 HA VAL 50 0.045 -4.736 -4.504 291 HB VAL 50 HB VAL 50 0.137 -2.664 -3.196 292 HG11 VAL 50 1HG1 VAL 50 -0.216 -0.467 -4.127 293 HG12 VAL 50 2HG1 VAL 50 1.248 -1.153 -4.843 294 HG13 VAL 50 3HG1 VAL 50 -0.265 -1.100 -5.778 295 HG21 VAL 50 3HG2 VAL 50 -2.025 -3.680 -3.665 296 HG22 VAL 50 1HG2 VAL 50 -2.172 -1.918 -3.592 297 HG23 VAL 50 2HG2 VAL 50 -2.188 -2.736 -5.160 298 H THR 51 H THR 51 -1.300 -5.405 -5.973 299 HA THR 51 HA THR 51 -1.218 -4.382 -8.779 300 HB THR 51 HB THR 51 -1.815 -7.193 -7.741 301 HG1 THR 51 1HG THR 51 0.184 -7.599 -8.885 302 HG21 THR 51 3HG2 THR 51 -3.051 -6.682 -9.854 303 HG22 THR 51 1HG2 THR 51 -1.727 -7.808 -10.165 304 HG23 THR 51 2HG2 THR 51 -1.558 -6.098 -10.606 305 H TYR 52 H TYR 52 -3.040 -3.353 -9.349 306 HA TYR 52 HA TYR 52 -5.675 -4.265 -8.378 307 HB3 TYR 52 2HB TYR 52 -4.835 -2.678 -6.651 308 HD1 TYR 52 1HD TYR 52 -6.429 -0.262 -8.936 309 HD2 TYR 52 2HD TYR 52 -2.797 -1.306 -6.881 310 HE1 TYR 52 1HE TYR 52 -5.515 1.976 -9.456 311 HE2 TYR 52 2HE TYR 52 -1.884 0.969 -7.344 312 HH TYR 52 HH TYR 52 -3.746 3.394 -9.252 313 H ASP 53 H ASP 53 -7.526 -3.372 -9.551 314 HA ASP 53 HA ASP 53 -6.818 -2.818 -12.329 315 HB3 ASP 53 2HB ASP 53 -8.588 -4.480 -11.697 316 HA PRO 54 HA PRO 54 -7.075 1.497 -11.644 317 HB3 PRO 54 2HB PRO 54 -5.593 1.548 -13.445 318 HG3 PRO 54 2HG PRO 54 -5.984 0.287 -15.421 319 HD3 PRO 54 2HD PRO 54 -5.964 -1.265 -13.673 320 H LYS 55 H LYS 55 -9.861 -0.057 -12.172 321 HA LYS 55 HA LYS 55 -11.354 2.339 -13.235 322 HB3 LYS 55 2HB LYS 55 -12.816 0.846 -14.436 323 HG3 LYS 55 2HG LYS 55 -10.071 -0.081 -15.285 324 HD3 LYS 55 2HD LYS 55 -12.205 -0.548 -16.620 325 HE3 LYS 55 2HE LYS 55 -11.886 2.417 -17.304 326 HZ1 LYS 55 3HZ LYS 55 -13.928 2.076 -18.494 327 HZ2 LYS 55 1HZ LYS 55 -14.007 0.485 -18.040 328 HZ3 LYS 55 2HZ LYS 55 -12.829 0.981 -19.058 329 H GLN 56 H GLN 56 -11.621 -0.578 -11.175 330 HA GLN 56 HA GLN 56 -14.066 0.378 -9.859 331 HB3 GLN 56 2HB GLN 56 -13.470 -1.425 -8.218 332 HG3 GLN 56 2HG GLN 56 -13.224 -2.510 -11.045 333 HE21 GLN 56 1HE2 GLN 56 -12.066 -4.195 -9.600 334 HE22 GLN 56 2HE2 GLN 56 -13.097 -5.358 -8.756 335 H VAL 57 H VAL 57 -10.592 0.909 -9.399 336 HA VAL 57 HA VAL 57 -11.145 2.773 -7.170 337 HB VAL 57 HB VAL 57 -9.430 1.837 -5.714 338 HG11 VAL 57 1HG1 VAL 57 -11.463 -0.344 -6.324 339 HG12 VAL 57 2HG1 VAL 57 -10.579 -0.082 -4.813 340 HG13 VAL 57 3HG1 VAL 57 -11.767 1.111 -5.343 341 HG21 VAL 57 3HG2 VAL 57 -9.268 -0.525 -7.653 342 HG22 VAL 57 1HG2 VAL 57 -7.994 0.678 -7.355 343 HG23 VAL 57 2HG2 VAL 57 -8.481 -0.426 -6.066 344 H SER 58 H SER 58 -8.823 3.650 -6.411 345 HA SER 58 HA SER 58 -6.829 3.745 -8.588 346 HB3 SER 58 2HB SER 58 -8.307 5.785 -8.818 347 HG SER 58 HG SER 58 -7.877 7.435 -7.223 348 H GLU 59 H GLU 59 -5.000 5.450 -7.338 349 HA GLU 59 HA GLU 59 -3.764 4.061 -5.235 350 HB3 GLU 59 2HB GLU 59 -2.593 6.138 -4.755 351 HG3 GLU 59 2HG GLU 59 -2.245 4.946 -7.115 352 H ILE 60 H ILE 60 -6.586 6.117 -5.085 353 HA ILE 60 HA ILE 60 -6.497 7.137 -2.441 354 HB ILE 60 HB ILE 60 -8.655 6.450 -4.434 355 HG13 ILE 60 2HG1 ILE 60 -9.011 8.851 -4.541 356 HG21 ILE 60 1HG2 ILE 60 -9.855 5.966 -2.485 357 HG22 ILE 60 2HG2 ILE 60 -9.237 7.415 -1.634 358 HG23 ILE 60 3HG2 ILE 60 -10.360 7.569 -3.010 359 HD11 ILE 60 3HD1 ILE 60 -8.218 9.532 -2.235 360 HD12 ILE 60 1HD1 ILE 60 -6.546 9.223 -2.785 361 HD13 ILE 60 2HD1 ILE 60 -7.517 10.463 -3.571 362 H THR 61 H THR 61 -7.812 3.984 -3.495 363 HA THR 61 HA THR 61 -8.939 3.247 -1.004 364 HB THR 61 HB THR 61 -7.793 1.578 -3.273 365 HG1 THR 61 1HG THR 61 -10.465 2.220 -2.503 366 HG21 THR 61 3HG2 THR 61 -9.338 -0.226 -2.439 367 HG22 THR 61 1HG2 THR 61 -9.532 0.687 -0.924 368 HG23 THR 61 2HG2 THR 61 -7.937 0.047 -1.399 369 H ILE 62 H ILE 62 -5.587 2.848 -2.105 370 HA ILE 62 HA ILE 62 -4.865 1.585 0.500 371 HB ILE 62 HB ILE 62 -4.095 0.589 -1.620 372 HG13 ILE 62 2HG1 ILE 62 -3.025 0.169 0.537 373 HG21 ILE 62 1HG2 ILE 62 -2.291 3.029 -1.889 374 HG22 ILE 62 2HG2 ILE 62 -2.271 1.570 -2.906 375 HG23 ILE 62 3HG2 ILE 62 -3.671 2.621 -2.941 376 HD11 ILE 62 3HD1 ILE 62 -2.060 -0.932 -1.507 377 HD12 ILE 62 1HD1 ILE 62 -0.856 0.375 -1.594 378 HD13 ILE 62 2HD1 ILE 62 -0.903 -0.699 -0.187 379 H GLN 63 H GLN 63 -4.429 4.689 -1.174 380 HA GLN 63 HA GLN 63 -2.629 5.932 0.613 381 HB3 GLN 63 2HB GLN 63 -5.097 7.206 -0.635 382 HG3 GLN 63 2HG GLN 63 -2.365 8.493 -0.527 383 HE21 GLN 63 1HE2 GLN 63 -5.382 9.696 0.927 384 HE22 GLN 63 2HE2 GLN 63 -5.848 10.715 -0.409 385 H GLU 64 H GLU 64 -6.217 5.652 0.863 386 HA GLU 64 HA GLU 64 -6.495 7.094 3.296 387 HB3 GLU 64 2HB GLU 64 -8.671 5.629 3.416 388 HG3 GLU 64 2HG GLU 64 -9.659 6.742 1.367 389 H ARG 65 H ARG 65 -5.800 3.670 2.737 390 HA ARG 65 HA ARG 65 -6.007 2.832 5.519 391 HB3 ARG 65 2HB ARG 65 -4.897 1.625 2.960 392 HG3 ARG 65 2HG ARG 65 -3.567 0.516 4.593 393 HD3 ARG 65 2HD ARG 65 -4.520 0.778 6.749 394 HE ARG 65 HE ARG 65 -7.065 0.512 5.711 395 HH11 ARG 65 1HH1 ARG 65 -5.333 -1.132 8.373 396 HH12 ARG 65 2HH1 ARG 65 -6.826 -1.221 9.304 397 HH21 ARG 65 1HH2 ARG 65 -8.848 0.210 6.917 398 HH22 ARG 65 2HH2 ARG 65 -8.741 -0.577 8.491 399 H ILE 66 H ILE 66 -3.290 3.818 3.378 400 HA ILE 66 HA ILE 66 -1.270 3.401 5.450 401 HB ILE 66 HB ILE 66 -1.278 4.958 2.833 402 HG13 ILE 66 2HG1 ILE 66 -1.451 2.330 2.915 403 HG21 ILE 66 1HG2 ILE 66 1.080 4.261 4.629 404 HG22 ILE 66 2HG2 ILE 66 1.197 5.038 3.042 405 HG23 ILE 66 3HG2 ILE 66 0.442 5.908 4.372 406 HD11 ILE 66 3HD1 ILE 66 -0.840 3.466 0.869 407 HD12 ILE 66 1HD1 ILE 66 0.866 3.585 1.388 408 HD13 ILE 66 2HD1 ILE 66 0.131 2.004 1.091 409 H ALA 67 H ALA 67 -3.005 6.365 4.358 410 HA ALA 67 HA ALA 67 -1.660 8.117 6.130 411 HB1 ALA 67 1HB ALA 67 -4.441 8.289 4.881 412 HB2 ALA 67 2HB ALA 67 -3.593 9.637 5.673 413 HB3 ALA 67 3HB ALA 67 -2.926 8.920 4.202 414 H ALA 68 H ALA 68 -4.897 6.544 6.617 415 HA ALA 68 HA ALA 68 -5.385 7.921 9.056 416 HB1 ALA 68 1HB ALA 68 -7.145 6.919 7.630 417 HB2 ALA 68 2HB ALA 68 -6.552 5.290 8.038 418 HB3 ALA 68 3HB ALA 68 -7.264 6.324 9.292 419 H LEU 69 H LEU 69 -3.716 4.856 8.479 420 HA LEU 69 HA LEU 69 -3.635 4.132 11.319 421 HB3 LEU 69 2HB LEU 69 -2.041 2.337 10.277 422 HG LEU 69 HG LEU 69 -3.857 0.996 9.321 423 HD11 LEU 69 1HD1 LEU 69 -5.081 0.672 11.374 424 HD12 LEU 69 2HD1 LEU 69 -4.712 2.314 11.929 425 HD13 LEU 69 3HD1 LEU 69 -3.414 1.113 11.788 426 HD21 LEU 69 3HD2 LEU 69 -5.293 2.776 8.302 427 HD22 LEU 69 1HD2 LEU 69 -5.759 3.303 9.932 428 HD23 LEU 69 2HD2 LEU 69 -6.190 1.689 9.369 429 H GLY 70 H GLY 70 -1.940 6.496 9.681 430 HA2 GLY 70 2HA GLY 70 -0.632 7.913 11.064 431 HA3 GLY 70 3HA GLY 70 0.038 6.516 11.925 432 H TYR 71 H TYR 71 -0.092 6.581 8.398 433 HA TYR 71 HA TYR 71 2.857 7.084 8.259 434 HB3 TYR 71 2HB TYR 71 2.979 5.330 6.589 435 HD1 TYR 71 1HD TYR 71 0.090 4.006 8.518 436 HD2 TYR 71 2HD TYR 71 4.372 4.268 8.236 437 HE1 TYR 71 1HE TYR 71 0.305 2.292 10.313 438 HE2 TYR 71 2HE TYR 71 4.590 2.531 10.026 439 HH TYR 71 HH TYR 71 1.777 1.065 11.645 440 H THR 72 H THR 72 3.303 7.202 5.607 441 HA THR 72 HA THR 72 1.234 8.813 4.234 442 HB THR 72 HB THR 72 3.012 10.414 3.418 443 HG1 THR 72 1HG THR 72 4.745 10.619 5.104 444 HG21 THR 72 3HG2 THR 72 1.349 11.024 5.187 445 HG22 THR 72 1HG2 THR 72 2.885 11.892 5.311 446 HG23 THR 72 2HG2 THR 72 2.539 10.553 6.420 447 H LEU 73 H LEU 73 0.920 8.075 2.259 448 HA LEU 73 HA LEU 73 2.605 6.121 0.974 449 HB3 LEU 73 2HB LEU 73 0.135 7.723 0.194 450 HG LEU 73 HG LEU 73 1.589 5.707 -1.538 451 HD11 LEU 73 1HD1 LEU 73 -0.601 4.679 -0.983 452 HD12 LEU 73 2HD1 LEU 73 -0.553 5.202 -2.669 453 HD13 LEU 73 3HD1 LEU 73 -1.426 6.171 -1.471 454 HD21 LEU 73 3HD2 LEU 73 1.623 8.114 -2.280 455 HD22 LEU 73 1HD2 LEU 73 -0.140 8.165 -2.168 456 HD23 LEU 73 2HD2 LEU 73 0.650 7.138 -3.370 457 H ALA 74 H ALA 74 4.088 6.280 -0.623 458 HA ALA 74 HA ALA 74 3.874 8.627 -2.401 459 HB1 ALA 74 1HB ALA 74 6.262 8.801 -2.759 460 HB2 ALA 74 2HB ALA 74 5.904 9.040 -1.037 461 HB3 ALA 74 3HB ALA 74 6.577 7.512 -1.588 462 H GLU 75 H GLU 75 3.831 8.115 -4.517 463 HA GLU 75 HA GLU 75 4.175 5.266 -5.326 464 HB3 GLU 75 2HB GLU 75 1.771 7.034 -5.936 465 HG3 GLU 75 2HG GLU 75 0.816 4.713 -6.576 466 HA PRO 76 HA PRO 76 6.699 7.595 -8.022 467 HB3 PRO 76 2HB PRO 76 8.187 5.864 -7.721 468 HG3 PRO 76 2HG PRO 76 7.452 3.575 -7.845 469 HD3 PRO 76 2HD PRO 76 6.167 4.661 -6.175 Start of MODEL 20 1 H2 PRO 6 2H PRO 6 -7.319 -6.311 -17.287 2 HA PRO 6 HA PRO 6 -5.058 -7.531 -16.825 3 HB3 PRO 6 2HB PRO 6 -3.862 -7.694 -18.749 4 HG3 PRO 6 2HG PRO 6 -5.442 -7.507 -20.407 5 HD3 PRO 6 2HD PRO 6 -7.471 -6.397 -19.870 6 H LEU 7 H LEU 7 -4.990 -6.531 -14.920 7 HA LEU 7 HA LEU 7 -5.487 -3.646 -14.738 8 HB3 LEU 7 2HB LEU 7 -6.745 -5.416 -13.456 9 HG LEU 7 HG LEU 7 -4.436 -5.269 -11.479 10 HD11 LEU 7 1HD1 LEU 7 -6.711 -5.361 -10.527 11 HD12 LEU 7 2HD1 LEU 7 -5.851 -6.882 -10.234 12 HD13 LEU 7 3HD1 LEU 7 -7.082 -6.795 -11.503 13 HD21 LEU 7 3HD2 LEU 7 -4.185 -7.732 -11.751 14 HD22 LEU 7 1HD2 LEU 7 -3.709 -6.860 -13.207 15 HD23 LEU 7 2HD2 LEU 7 -5.288 -7.682 -13.137 16 H LYS 8 H LYS 8 -4.271 -2.747 -12.532 17 HA LYS 8 HA LYS 8 -1.485 -2.525 -13.578 18 HB3 LYS 8 2HB LYS 8 -1.540 -0.332 -12.260 19 HG3 LYS 8 2HG LYS 8 -3.479 -0.695 -14.583 20 HD3 LYS 8 2HD LYS 8 -3.742 1.546 -13.565 21 HE3 LYS 8 2HE LYS 8 -0.761 1.880 -14.091 22 HZ1 LYS 8 3HZ LYS 8 -2.030 3.872 -14.625 23 HZ2 LYS 8 1HZ LYS 8 -1.168 4.145 -13.271 24 HZ3 LYS 8 2HZ LYS 8 -2.787 3.864 -13.179 25 H THR 9 H THR 9 0.278 -2.498 -12.281 26 HA THR 9 HA THR 9 0.023 -3.278 -9.403 27 HB THR 9 HB THR 9 2.040 -4.342 -11.427 28 HG1 THR 9 1HG THR 9 0.167 -5.411 -11.627 29 HG21 THR 9 3HG2 THR 9 1.778 -4.860 -8.427 30 HG22 THR 9 1HG2 THR 9 3.180 -4.167 -9.279 31 HG23 THR 9 2HG2 THR 9 2.735 -5.851 -9.548 32 H GLN 10 H GLN 10 1.647 -2.342 -8.004 33 HA GLN 10 HA GLN 10 3.555 -0.509 -9.212 34 HB3 GLN 10 2HB GLN 10 1.396 0.507 -7.311 35 HG3 GLN 10 2HG GLN 10 3.395 1.863 -6.961 36 HE21 GLN 10 1HE2 GLN 10 3.133 4.080 -9.396 37 HE22 GLN 10 2HE2 GLN 10 4.479 3.550 -10.410 38 H GLN 11 H GLN 11 5.124 0.260 -7.796 39 HA GLN 11 HA GLN 11 5.398 -1.111 -5.179 40 HB3 GLN 11 2HB GLN 11 7.887 -1.167 -5.768 41 HG3 GLN 11 2HG GLN 11 6.073 -2.857 -7.546 42 HE21 GLN 11 1HE2 GLN 11 8.234 -2.750 -8.940 43 HE22 GLN 11 2HE2 GLN 11 9.398 -3.997 -8.523 44 H MET 12 H MET 12 6.531 0.131 -3.569 45 HA MET 12 HA MET 12 7.028 2.980 -4.065 46 HB3 MET 12 2HB MET 12 4.639 3.010 -4.166 47 HG3 MET 12 2HG MET 12 4.635 1.531 -1.497 48 HE1 MET 12 3HE MET 12 0.773 2.620 -3.807 49 HE2 MET 12 1HE MET 12 2.370 3.049 -4.449 50 HE3 MET 12 2HE MET 12 1.916 1.337 -4.260 51 H GLN 13 H GLN 13 7.921 4.090 -2.375 52 HA GLN 13 HA GLN 13 8.689 2.620 0.068 53 HB3 GLN 13 2HB GLN 13 9.699 4.818 0.726 54 HG3 GLN 13 2HG GLN 13 10.613 3.996 -2.053 55 HE21 GLN 13 1HE2 GLN 13 13.194 4.074 -1.968 56 HE22 GLN 13 2HE2 GLN 13 13.804 5.607 -1.344 57 H VAL 14 H VAL 14 7.853 3.156 2.125 58 HA VAL 14 HA VAL 14 5.388 4.793 2.346 59 HB VAL 14 HB VAL 14 5.457 1.745 2.401 60 HG11 VAL 14 1HG1 VAL 14 3.106 1.830 3.332 61 HG12 VAL 14 2HG1 VAL 14 4.366 2.231 4.488 62 HG13 VAL 14 3HG1 VAL 14 3.396 3.532 3.759 63 HG21 VAL 14 3HG2 VAL 14 3.592 3.751 1.098 64 HG22 VAL 14 1HG2 VAL 14 4.819 2.767 0.280 65 HG23 VAL 14 2HG2 VAL 14 3.421 1.988 1.011 66 H GLY 15 H GLY 15 5.275 5.695 4.320 67 HA2 GLY 15 2HA GLY 15 7.334 5.299 6.279 68 HA3 GLY 15 3HA GLY 15 5.843 6.231 6.511 69 H GLY 16 H GLY 16 4.199 3.800 5.934 70 HA2 GLY 16 2HA GLY 16 4.025 2.618 8.586 71 HA3 GLY 16 3HA GLY 16 3.041 2.217 7.165 72 H MET 17 H MET 17 6.395 1.927 6.508 73 HA MET 17 HA MET 17 6.331 -1.036 7.008 74 HB3 MET 17 2HB MET 17 7.827 -1.046 4.905 75 HG3 MET 17 2HG MET 17 6.006 -0.951 3.328 76 HE1 MET 17 3HE MET 17 7.332 -3.088 5.716 77 HE2 MET 17 1HE MET 17 6.386 -4.474 5.179 78 HE3 MET 17 2HE MET 17 7.099 -3.376 3.977 79 H ARG 18 H ARG 18 7.935 1.617 8.200 80 HA ARG 18 HA ARG 18 10.403 0.119 8.757 81 HB3 ARG 18 2HB ARG 18 11.193 0.775 6.687 82 HG3 ARG 18 2HG ARG 18 9.541 3.288 7.011 83 HD3 ARG 18 2HD ARG 18 11.549 2.808 4.780 84 HE ARG 18 HE ARG 18 10.038 4.290 3.849 85 HH11 ARG 18 1HH1 ARG 18 10.808 5.551 7.122 86 HH12 ARG 18 2HH1 ARG 18 9.863 6.998 6.805 87 HH21 ARG 18 1HH2 ARG 18 9.026 6.350 3.573 88 HH22 ARG 18 2HH2 ARG 18 8.935 7.400 4.975 89 H CYS 19 H CYS 19 8.388 2.690 9.721 90 HA CYS 19 HA CYS 19 10.304 3.720 11.715 91 HB3 CYS 19 2HB CYS 19 8.204 4.985 12.395 92 HG CYS 19 HG CYS 19 9.917 6.210 10.921 93 H ALA 20 H ALA 20 7.879 1.197 11.515 94 HA ALA 20 HA ALA 20 8.300 0.156 14.214 95 HB1 ALA 20 1HB ALA 20 5.765 1.647 13.393 96 HB2 ALA 20 2HB ALA 20 5.848 0.581 14.797 97 HB3 ALA 20 3HB ALA 20 6.848 2.041 14.742 98 H ALA 21 H ALA 21 6.571 -1.616 14.606 99 HA ALA 21 HA ALA 21 6.746 -3.622 12.598 100 HB1 ALA 21 1HB ALA 21 5.072 -3.512 15.142 101 HB2 ALA 21 2HB ALA 21 5.551 -4.974 14.256 102 HB3 ALA 21 3HB ALA 21 6.788 -3.984 15.045 103 H CYS 22 H CYS 22 5.180 -1.318 11.628 104 HA CYS 22 HA CYS 22 2.379 -1.874 11.668 105 HB3 CYS 22 2HB CYS 22 2.392 0.147 10.121 106 HG CYS 22 HG CYS 22 2.264 -0.049 12.916 107 H ALA 23 H ALA 23 4.686 -3.239 9.492 108 HA ALA 23 HA ALA 23 3.282 -3.492 7.131 109 HB1 ALA 23 1HB ALA 23 4.605 -5.506 6.813 110 HB2 ALA 23 2HB ALA 23 5.576 -4.273 7.629 111 HB3 ALA 23 3HB ALA 23 4.897 -5.639 8.549 112 H SER 24 H SER 24 2.593 -5.343 10.156 113 HA SER 24 HA SER 24 0.807 -7.256 8.902 114 HB3 SER 24 2HB SER 24 0.089 -7.849 11.102 115 HG SER 24 HG SER 24 2.013 -8.152 12.214 116 H SER 25 H SER 25 0.239 -4.153 10.546 117 HA SER 25 HA SER 25 -2.661 -4.197 10.142 118 HB3 SER 25 2HB SER 25 -2.665 -2.038 11.199 119 HG SER 25 HG SER 25 -0.598 -3.578 12.438 120 H ILE 26 H ILE 26 -0.161 -3.515 8.036 121 HA ILE 26 HA ILE 26 -2.103 -2.159 6.204 122 HB ILE 26 HB ILE 26 0.785 -2.980 5.697 123 HG13 ILE 26 2HG1 ILE 26 1.232 -0.532 5.602 124 HG21 ILE 26 1HG2 ILE 26 0.459 -1.581 3.619 125 HG22 ILE 26 2HG2 ILE 26 -0.454 -3.091 3.631 126 HG23 ILE 26 3HG2 ILE 26 -1.281 -1.555 3.959 127 HD11 ILE 26 3HD1 ILE 26 -1.469 -0.200 6.989 128 HD12 ILE 26 1HD1 ILE 26 -0.247 1.055 6.723 129 HD13 ILE 26 2HD1 ILE 26 -1.097 0.361 5.336 130 H GLU 27 H GLU 27 -0.118 -5.196 6.205 131 HA GLU 27 HA GLU 27 -1.404 -6.064 3.852 132 HB3 GLU 27 2HB GLU 27 -0.106 -7.984 5.807 133 HG3 GLU 27 2HG GLU 27 -0.253 -7.718 2.768 134 H ARG 28 H ARG 28 -2.216 -6.815 7.266 135 HA ARG 28 HA ARG 28 -4.073 -8.913 6.810 136 HB3 ARG 28 2HB ARG 28 -3.923 -6.790 8.977 137 HG3 ARG 28 2HG ARG 28 -5.352 -9.481 9.000 138 HD3 ARG 28 2HD ARG 28 -4.096 -9.279 11.052 139 HE ARG 28 HE ARG 28 -5.247 -6.512 11.322 140 HH11 ARG 28 1HH1 ARG 28 -2.667 -8.778 12.321 141 HH12 ARG 28 2HH1 ARG 28 -1.834 -7.468 13.144 142 HH21 ARG 28 1HH2 ARG 28 -4.079 -5.015 12.321 143 HH22 ARG 28 2HH2 ARG 28 -2.575 -5.440 13.146 144 H ALA 29 H ALA 29 -4.513 -5.437 6.485 145 HA ALA 29 HA ALA 29 -7.458 -5.696 6.045 146 HB1 ALA 29 1HB ALA 29 -6.645 -3.873 7.505 147 HB2 ALA 29 2HB ALA 29 -5.612 -3.264 6.193 148 HB3 ALA 29 3HB ALA 29 -7.383 -3.228 6.028 149 H LEU 30 H LEU 30 -4.447 -4.725 4.357 150 HA LEU 30 HA LEU 30 -5.588 -3.850 1.957 151 HB3 LEU 30 2HB LEU 30 -2.876 -5.141 2.437 152 HG LEU 30 HG LEU 30 -3.244 -4.751 0.019 153 HD11 LEU 30 1HD1 LEU 30 -3.480 -2.359 -0.776 154 HD12 LEU 30 2HD1 LEU 30 -3.840 -1.887 0.901 155 HD13 LEU 30 3HD1 LEU 30 -4.923 -2.987 0.026 156 HD21 LEU 30 3HD2 LEU 30 -1.264 -3.364 -0.363 157 HD22 LEU 30 1HD2 LEU 30 -1.001 -4.411 1.041 158 HD23 LEU 30 2HD2 LEU 30 -1.380 -2.691 1.278 159 H GLU 31 H GLU 31 -4.742 -7.208 2.881 160 HA GLU 31 HA GLU 31 -5.357 -8.190 0.206 161 HB3 GLU 31 2HB GLU 31 -3.654 -9.238 1.672 162 HG3 GLU 31 2HG GLU 31 -5.998 -10.555 3.101 163 H ARG 32 H ARG 32 -7.403 -7.120 2.641 164 HA ARG 32 HA ARG 32 -9.519 -9.042 1.833 165 HB3 ARG 32 2HB ARG 32 -10.758 -8.282 3.843 166 HG3 ARG 32 2HG ARG 32 -7.946 -9.202 4.547 167 HD3 ARG 32 2HD ARG 32 -9.130 -10.504 6.301 168 HE ARG 32 HE ARG 32 -8.314 -8.259 6.940 169 HH11 ARG 32 1HH1 ARG 32 -11.873 -8.557 6.677 170 HH12 ARG 32 2HH1 ARG 32 -12.127 -7.513 8.030 171 HH21 ARG 32 1HH2 ARG 32 -8.817 -6.718 8.596 172 HH22 ARG 32 2HH2 ARG 32 -10.494 -6.406 8.946 173 H LEU 33 H LEU 33 -8.789 -5.562 2.126 174 HA LEU 33 HA LEU 33 -11.417 -4.653 1.519 175 HB3 LEU 33 2HB LEU 33 -9.869 -3.358 2.770 176 HG LEU 33 HG LEU 33 -7.754 -3.864 1.308 177 HD11 LEU 33 1HD1 LEU 33 -8.499 -2.981 -0.857 178 HD12 LEU 33 2HD1 LEU 33 -7.195 -1.974 -0.240 179 HD13 LEU 33 3HD1 LEU 33 -8.875 -1.418 -0.112 180 HD21 LEU 33 3HD2 LEU 33 -8.313 -1.064 2.384 181 HD22 LEU 33 1HD2 LEU 33 -6.707 -1.764 2.102 182 HD23 LEU 33 2HD2 LEU 33 -7.765 -2.456 3.341 183 H LYS 34 H LYS 34 -12.314 -3.624 -0.266 184 HA LYS 34 HA LYS 34 -12.067 -5.227 -2.609 185 HB3 LYS 34 2HB LYS 34 -13.648 -2.660 -2.127 186 HG3 LYS 34 2HG LYS 34 -14.007 -4.962 -4.080 187 HD3 LYS 34 2HD LYS 34 -16.085 -2.958 -3.103 188 HE3 LYS 34 2HE LYS 34 -16.161 -5.024 -5.349 189 HZ1 LYS 34 3HZ LYS 34 -18.351 -3.540 -4.013 190 HZ2 LYS 34 1HZ LYS 34 -18.213 -5.145 -4.158 191 HZ3 LYS 34 2HZ LYS 34 -18.515 -4.256 -5.507 192 H GLY 35 H GLY 35 -11.761 -4.575 -4.843 193 HA2 GLY 35 2HA GLY 35 -11.018 -3.300 -6.620 194 HA3 GLY 35 3HA GLY 35 -10.563 -1.985 -5.505 195 H VAL 36 H VAL 36 -8.837 -3.333 -3.825 196 HA VAL 36 HA VAL 36 -6.415 -3.912 -5.361 197 HB VAL 36 HB VAL 36 -7.081 -4.233 -2.411 198 HG11 VAL 36 1HG1 VAL 36 -5.320 -5.864 -2.922 199 HG12 VAL 36 2HG1 VAL 36 -4.402 -4.637 -3.822 200 HG13 VAL 36 3HG1 VAL 36 -4.611 -4.497 -2.065 201 HG21 VAL 36 3HG2 VAL 36 -5.351 -2.202 -3.899 202 HG22 VAL 36 1HG2 VAL 36 -6.952 -1.887 -3.194 203 HG23 VAL 36 2HG2 VAL 36 -5.588 -2.273 -2.145 204 H ALA 37 H ALA 37 -5.633 -5.839 -5.934 205 HA ALA 37 HA ALA 37 -7.407 -8.232 -5.625 206 HB1 ALA 37 1HB ALA 37 -6.783 -8.662 -8.003 207 HB2 ALA 37 2HB ALA 37 -7.550 -7.076 -7.807 208 HB3 ALA 37 3HB ALA 37 -5.783 -7.197 -7.991 209 H GLU 38 H GLU 38 -4.081 -7.161 -5.401 210 HA GLU 38 HA GLU 38 -3.233 -9.667 -4.290 211 HB3 GLU 38 2HB GLU 38 -1.440 -8.987 -6.580 212 HG3 GLU 38 2HG GLU 38 -1.455 -11.469 -6.862 213 H ALA 39 H ALA 39 -1.166 -9.343 -3.093 214 HA ALA 39 HA ALA 39 0.118 -6.740 -3.153 215 HB1 ALA 39 1HB ALA 39 -2.017 -6.102 -2.056 216 HB2 ALA 39 2HB ALA 39 -1.729 -7.330 -0.797 217 HB3 ALA 39 3HB ALA 39 -0.636 -5.939 -0.962 218 H SER 40 H SER 40 1.930 -6.547 -1.886 219 HA SER 40 HA SER 40 2.722 -8.767 -0.045 220 HB3 SER 40 2HB SER 40 4.924 -8.922 -1.156 221 HG SER 40 HG SER 40 2.943 -9.446 -3.132 222 H VAL 41 H VAL 41 3.022 -7.563 1.822 223 HA VAL 41 HA VAL 41 4.596 -5.047 1.720 224 HB VAL 41 HB VAL 41 4.514 -4.979 4.106 225 HG11 VAL 41 1HG1 VAL 41 2.115 -4.795 4.464 226 HG12 VAL 41 2HG1 VAL 41 2.565 -4.169 2.877 227 HG13 VAL 41 3HG1 VAL 41 1.792 -5.762 3.008 228 HG21 VAL 41 3HG2 VAL 41 3.532 -7.818 4.032 229 HG22 VAL 41 1HG2 VAL 41 4.867 -7.106 4.935 230 HG23 VAL 41 2HG2 VAL 41 3.203 -6.745 5.404 231 H THR 42 H THR 42 6.776 -4.825 2.105 232 HA THR 42 HA THR 42 8.420 -7.329 2.392 233 HB THR 42 HB THR 42 9.064 -4.752 0.909 234 HG1 THR 42 1HG THR 42 8.443 -7.356 -0.049 235 HG21 THR 42 3HG2 THR 42 10.931 -6.024 -0.044 236 HG22 THR 42 1HG2 THR 42 10.488 -7.443 0.926 237 HG23 THR 42 2HG2 THR 42 11.086 -5.974 1.719 238 H VAL 43 H VAL 43 8.760 -7.297 4.567 239 HA VAL 43 HA VAL 43 9.094 -4.870 6.091 240 HB VAL 43 HB VAL 43 9.529 -7.799 6.787 241 HG11 VAL 43 1HG1 VAL 43 9.472 -7.086 9.182 242 HG12 VAL 43 2HG1 VAL 43 10.930 -6.534 8.363 243 HG13 VAL 43 3HG1 VAL 43 9.600 -5.390 8.669 244 HG21 VAL 43 3HG2 VAL 43 7.374 -5.764 7.498 245 HG22 VAL 43 1HG2 VAL 43 7.187 -7.046 6.290 246 HG23 VAL 43 2HG2 VAL 43 7.385 -7.476 7.994 247 H ALA 44 H ALA 44 11.492 -7.196 4.724 248 HA ALA 44 HA ALA 44 13.642 -6.483 6.406 249 HB1 ALA 44 1HB ALA 44 13.493 -8.541 5.052 250 HB2 ALA 44 2HB ALA 44 13.689 -7.592 3.561 251 HB3 ALA 44 3HB ALA 44 15.010 -7.682 4.748 252 H THR 45 H THR 45 12.818 -5.136 3.222 253 HA THR 45 HA THR 45 14.823 -2.952 3.515 254 HB THR 45 HB THR 45 14.249 -2.535 1.098 255 HG1 THR 45 1HG THR 45 13.301 -4.583 0.186 256 HG21 THR 45 3HG2 THR 45 16.243 -3.859 1.833 257 HG22 THR 45 1HG2 THR 45 15.602 -4.362 0.265 258 HG23 THR 45 2HG2 THR 45 15.272 -5.343 1.711 259 H GLY 46 H GLY 46 11.477 -3.506 4.036 260 HA2 GLY 46 2HA GLY 46 9.886 -2.140 4.845 261 HA3 GLY 46 3HA GLY 46 11.030 -0.787 4.830 262 H ARG 47 H ARG 47 9.802 -2.782 2.109 263 HA ARG 47 HA ARG 47 8.581 -0.334 0.888 264 HB3 ARG 47 2HB ARG 47 10.682 -0.778 -0.221 265 HG3 ARG 47 2HG ARG 47 9.491 -3.449 -1.109 266 HD3 ARG 47 2HD ARG 47 10.878 -2.453 -2.872 267 HE ARG 47 HE ARG 47 12.547 -1.549 -0.748 268 HH11 ARG 47 1HH1 ARG 47 13.027 -2.791 -4.053 269 HH12 ARG 47 2HH1 ARG 47 14.644 -2.119 -4.109 270 HH21 ARG 47 1HH2 ARG 47 14.415 -0.654 -0.965 271 HH22 ARG 47 2HH2 ARG 47 15.424 -0.850 -2.390 272 H LEU 48 H LEU 48 7.214 -1.174 -1.152 273 HA LEU 48 HA LEU 48 5.436 -3.404 -0.266 274 HB3 LEU 48 2HB LEU 48 3.923 -1.050 -1.159 275 HG LEU 48 HG LEU 48 4.072 -2.569 1.485 276 HD11 LEU 48 1HD1 LEU 48 2.025 -1.292 2.091 277 HD12 LEU 48 2HD1 LEU 48 2.220 -0.302 0.628 278 HD13 LEU 48 3HD1 LEU 48 3.444 -0.252 1.923 279 HD21 LEU 48 3HD2 LEU 48 1.981 -2.508 -0.759 280 HD22 LEU 48 1HD2 LEU 48 1.751 -3.311 0.805 281 HD23 LEU 48 2HD2 LEU 48 3.001 -3.885 -0.294 282 H THR 49 H THR 49 4.036 -4.221 -1.821 283 HA THR 49 HA THR 49 4.100 -3.207 -4.615 284 HB THR 49 HB THR 49 4.275 -6.179 -3.973 285 HG1 THR 49 1HG THR 49 6.250 -5.458 -3.595 286 HG21 THR 49 3HG2 THR 49 4.772 -6.294 -6.436 287 HG22 THR 49 1HG2 THR 49 4.374 -4.571 -6.570 288 HG23 THR 49 2HG2 THR 49 3.129 -5.746 -6.082 289 H VAL 50 H VAL 50 2.100 -3.090 -5.394 290 HA VAL 50 HA VAL 50 -0.084 -4.735 -4.240 291 HB VAL 50 HB VAL 50 0.017 -2.707 -2.839 292 HG11 VAL 50 1HG1 VAL 50 0.876 -1.074 -4.493 293 HG12 VAL 50 2HG1 VAL 50 -0.678 -1.134 -5.350 294 HG13 VAL 50 3HG1 VAL 50 -0.600 -0.502 -3.705 295 HG21 VAL 50 3HG2 VAL 50 -2.358 -2.134 -2.941 296 HG22 VAL 50 1HG2 VAL 50 -2.493 -2.818 -4.562 297 HG23 VAL 50 2HG2 VAL 50 -2.121 -3.873 -3.181 298 H THR 51 H THR 51 -1.779 -5.122 -5.579 299 HA THR 51 HA THR 51 -1.706 -4.113 -8.393 300 HB THR 51 HB THR 51 -2.271 -6.928 -7.369 301 HG1 THR 51 1HG THR 51 -0.213 -6.095 -9.109 302 HG21 THR 51 3HG2 THR 51 -2.229 -5.802 -10.212 303 HG22 THR 51 1HG2 THR 51 -3.603 -6.538 -9.364 304 HG23 THR 51 2HG2 THR 51 -2.213 -7.535 -9.806 305 H TYR 52 H TYR 52 -3.641 -3.495 -9.209 306 HA TYR 52 HA TYR 52 -6.170 -3.895 -7.763 307 HB3 TYR 52 2HB TYR 52 -5.133 -2.292 -6.313 308 HD1 TYR 52 1HD TYR 52 -2.739 -1.889 -6.689 309 HD2 TYR 52 2HD TYR 52 -5.745 0.300 -8.871 310 HE1 TYR 52 1HE TYR 52 -1.011 -0.271 -7.434 311 HE2 TYR 52 2HE TYR 52 -4.013 1.959 -9.573 312 HH TYR 52 HH TYR 52 -1.798 2.600 -9.397 313 H ASP 53 H ASP 53 -8.011 -2.824 -8.726 314 HA ASP 53 HA ASP 53 -7.837 -2.685 -11.649 315 HB3 ASP 53 2HB ASP 53 -10.140 -2.657 -9.684 316 HA PRO 54 HA PRO 54 -7.343 1.753 -10.930 317 HB3 PRO 54 2HB PRO 54 -5.597 1.532 -12.409 318 HG3 PRO 54 2HG PRO 54 -5.807 0.234 -14.445 319 HD3 PRO 54 2HD PRO 54 -6.170 -1.198 -12.608 320 H LYS 55 H LYS 55 -10.035 0.363 -11.836 321 HA LYS 55 HA LYS 55 -11.344 2.759 -13.077 322 HB3 LYS 55 2HB LYS 55 -11.885 -0.188 -13.620 323 HG3 LYS 55 2HG LYS 55 -12.988 2.410 -14.754 324 HD3 LYS 55 2HD LYS 55 -12.221 1.102 -16.644 325 HE3 LYS 55 2HE LYS 55 -12.267 -1.214 -15.733 326 HZ1 LYS 55 3HZ LYS 55 -14.339 -1.341 -14.624 327 HZ2 LYS 55 1HZ LYS 55 -14.453 -2.338 -15.931 328 HZ3 LYS 55 2HZ LYS 55 -15.198 -0.857 -15.956 329 H GLN 56 H GLN 56 -11.806 0.069 -10.735 330 HA GLN 56 HA GLN 56 -14.051 1.631 -9.525 331 HB3 GLN 56 2HB GLN 56 -14.192 -0.852 -9.890 332 HG3 GLN 56 2HG GLN 56 -12.694 -1.169 -7.274 333 HE21 GLN 56 1HE2 GLN 56 -12.582 -2.825 -10.439 334 HE22 GLN 56 2HE2 GLN 56 -13.282 -4.338 -9.873 335 H VAL 57 H VAL 57 -10.608 1.354 -9.101 336 HA VAL 57 HA VAL 57 -10.748 3.190 -6.837 337 HB VAL 57 HB VAL 57 -9.099 1.994 -5.462 338 HG11 VAL 57 1HG1 VAL 57 -11.494 1.770 -4.880 339 HG12 VAL 57 2HG1 VAL 57 -11.558 0.249 -5.804 340 HG13 VAL 57 3HG1 VAL 57 -10.520 0.377 -4.379 341 HG21 VAL 57 3HG2 VAL 57 -8.595 -0.381 -5.745 342 HG22 VAL 57 1HG2 VAL 57 -9.565 -0.448 -7.229 343 HG23 VAL 57 2HG2 VAL 57 -8.073 0.515 -7.174 344 H SER 58 H SER 58 -8.305 3.746 -6.247 345 HA SER 58 HA SER 58 -6.397 3.198 -8.426 346 HB3 SER 58 2HB SER 58 -7.502 5.427 -8.982 347 HG SER 58 HG SER 58 -5.920 6.902 -7.415 348 H GLU 59 H GLU 59 -4.250 4.773 -7.450 349 HA GLU 59 HA GLU 59 -3.282 3.461 -5.139 350 HB3 GLU 59 2HB GLU 59 -1.850 4.607 -6.752 351 HG3 GLU 59 2HG GLU 59 -1.415 7.043 -6.543 352 H ILE 60 H ILE 60 -5.628 6.005 -5.301 353 HA ILE 60 HA ILE 60 -5.500 7.153 -2.706 354 HB ILE 60 HB ILE 60 -7.721 6.486 -4.643 355 HG13 ILE 60 2HG1 ILE 60 -7.843 8.856 -5.057 356 HG21 ILE 60 1HG2 ILE 60 -9.264 7.931 -3.304 357 HG22 ILE 60 2HG2 ILE 60 -8.904 6.356 -2.603 358 HG23 ILE 60 3HG2 ILE 60 -8.107 7.811 -1.951 359 HD11 ILE 60 3HD1 ILE 60 -5.506 9.267 -3.135 360 HD12 ILE 60 1HD1 ILE 60 -6.228 10.473 -4.207 361 HD13 ILE 60 2HD1 ILE 60 -7.168 9.822 -2.859 362 H THR 61 H THR 61 -6.744 3.927 -3.640 363 HA THR 61 HA THR 61 -8.065 3.533 -1.090 364 HB THR 61 HB THR 61 -7.442 1.743 -3.443 365 HG1 THR 61 1HG THR 61 -9.171 3.200 -3.552 366 HG21 THR 61 3HG2 THR 61 -8.887 0.028 -2.358 367 HG22 THR 61 1HG2 THR 61 -8.789 0.932 -0.829 368 HG23 THR 61 2HG2 THR 61 -7.328 0.204 -1.542 369 H ILE 62 H ILE 62 -4.859 2.343 -2.257 370 HA ILE 62 HA ILE 62 -4.219 1.345 0.404 371 HB ILE 62 HB ILE 62 -3.210 0.534 -1.748 372 HG13 ILE 62 2HG1 ILE 62 -2.436 -0.094 0.478 373 HG21 ILE 62 1HG2 ILE 62 -1.263 1.663 -2.680 374 HG22 ILE 62 2HG2 ILE 62 -2.650 2.732 -2.753 375 HG23 ILE 62 3HG2 ILE 62 -1.406 2.984 -1.504 376 HD11 ILE 62 3HD1 ILE 62 -0.155 -0.758 0.061 377 HD12 ILE 62 1HD1 ILE 62 -1.089 -0.955 -1.431 378 HD13 ILE 62 2HD1 ILE 62 0.021 0.428 -1.247 379 H GLN 63 H GLN 63 -3.727 4.531 -1.140 380 HA GLN 63 HA GLN 63 -2.263 5.738 0.976 381 HB3 GLN 63 2HB GLN 63 -4.390 6.926 -0.853 382 HG3 GLN 63 2HG GLN 63 -2.702 8.965 -0.519 383 HE21 GLN 63 1HE2 GLN 63 -4.537 8.097 2.426 384 HE22 GLN 63 2HE2 GLN 63 -5.924 9.112 2.052 385 H GLU 64 H GLU 64 -5.844 5.277 0.690 386 HA GLU 64 HA GLU 64 -6.399 6.541 3.211 387 HB3 GLU 64 2HB GLU 64 -8.649 5.247 2.848 388 HG3 GLU 64 2HG GLU 64 -9.321 6.734 0.979 389 H ARG 65 H ARG 65 -5.127 3.382 2.704 390 HA ARG 65 HA ARG 65 -5.888 2.572 5.487 391 HB3 ARG 65 2HB ARG 65 -4.739 1.136 3.103 392 HG3 ARG 65 2HG ARG 65 -3.355 0.129 4.695 393 HD3 ARG 65 2HD ARG 65 -4.135 0.685 6.917 394 HE ARG 65 HE ARG 65 -6.745 0.093 6.214 395 HH11 ARG 65 1HH1 ARG 65 -4.627 -1.350 8.696 396 HH12 ARG 65 2HH1 ARG 65 -5.908 -1.375 9.872 397 HH21 ARG 65 1HH2 ARG 65 -8.318 -0.134 7.642 398 HH22 ARG 65 2HH2 ARG 65 -8.039 -0.756 9.261 399 H ILE 66 H ILE 66 -2.974 3.297 3.485 400 HA ILE 66 HA ILE 66 -1.084 3.099 5.672 401 HB ILE 66 HB ILE 66 -1.042 4.622 3.035 402 HG13 ILE 66 2HG1 ILE 66 -1.068 2.025 3.094 403 HG21 ILE 66 1HG2 ILE 66 1.418 4.856 3.393 404 HG22 ILE 66 2HG2 ILE 66 0.501 5.764 4.577 405 HG23 ILE 66 3HG2 ILE 66 1.232 4.210 5.037 406 HD11 ILE 66 3HD1 ILE 66 -0.250 3.233 1.114 407 HD12 ILE 66 1HD1 ILE 66 1.379 3.312 1.831 408 HD13 ILE 66 2HD1 ILE 66 0.673 1.747 1.427 409 H ALA 67 H ALA 67 -2.955 5.922 4.466 410 HA ALA 67 HA ALA 67 -1.886 7.773 6.323 411 HB1 ALA 67 1HB ALA 67 -3.907 9.103 5.748 412 HB2 ALA 67 2HB ALA 67 -3.124 8.428 4.311 413 HB3 ALA 67 3HB ALA 67 -4.616 7.689 4.952 414 H ALA 68 H ALA 68 -4.574 5.411 6.648 415 HA ALA 68 HA ALA 68 -5.756 6.608 8.999 416 HB1 ALA 68 1HB ALA 68 -6.048 3.830 7.759 417 HB2 ALA 68 2HB ALA 68 -7.116 4.543 8.987 418 HB3 ALA 68 3HB ALA 68 -7.022 5.263 7.372 419 H LEU 69 H LEU 69 -3.301 4.149 8.465 420 HA LEU 69 HA LEU 69 -2.959 3.449 11.265 421 HB3 LEU 69 2HB LEU 69 -1.015 3.085 8.954 422 HG LEU 69 HG LEU 69 -0.168 2.242 11.137 423 HD11 LEU 69 1HD1 LEU 69 -2.749 0.612 11.165 424 HD12 LEU 69 2HD1 LEU 69 -2.225 1.798 12.382 425 HD13 LEU 69 3HD1 LEU 69 -1.343 0.284 12.208 426 HD21 LEU 69 3HD2 LEU 69 -1.079 0.039 9.254 427 HD22 LEU 69 1HD2 LEU 69 0.249 -0.063 10.422 428 HD23 LEU 69 2HD2 LEU 69 0.372 1.055 9.052 429 H GLY 70 H GLY 70 -2.299 6.289 9.642 430 HA2 GLY 70 2HA GLY 70 -1.635 8.211 10.738 431 HA3 GLY 70 3HA GLY 70 -0.619 7.286 11.857 432 H TYR 71 H TYR 71 -0.086 6.489 8.528 433 HA TYR 71 HA TYR 71 2.426 8.141 8.521 434 HB3 TYR 71 2HB TYR 71 3.350 6.282 7.155 435 HD1 TYR 71 2HD TYR 71 4.795 6.739 9.137 436 HD2 TYR 71 1HD TYR 71 1.306 4.212 9.369 437 HE1 TYR 71 2HE TYR 71 5.637 5.775 11.262 438 HE2 TYR 71 1HE TYR 71 2.141 3.255 11.501 439 HH TYR 71 HH TYR 71 3.807 3.304 13.089 440 H THR 72 H THR 72 3.173 7.683 5.867 441 HA THR 72 HA THR 72 0.949 8.444 4.093 442 HB THR 72 HB THR 72 2.289 10.145 2.934 443 HG1 THR 72 1HG THR 72 4.249 10.764 3.718 444 HG21 THR 72 3HG2 THR 72 2.327 11.960 4.525 445 HG22 THR 72 1HG2 THR 72 2.302 10.840 5.900 446 HG23 THR 72 2HG2 THR 72 0.893 10.971 4.823 447 H LEU 73 H LEU 73 2.007 8.436 1.726 448 HA LEU 73 HA LEU 73 3.901 6.168 1.395 449 HB3 LEU 73 2HB LEU 73 1.482 5.499 0.975 450 HG LEU 73 HG LEU 73 1.777 7.147 -1.584 451 HD11 LEU 73 1HD1 LEU 73 0.837 4.898 -1.929 452 HD12 LEU 73 2HD1 LEU 73 -0.389 6.145 -2.184 453 HD13 LEU 73 3HD1 LEU 73 -0.387 5.202 -0.678 454 HD21 LEU 73 3HD2 LEU 73 -0.390 8.198 -0.912 455 HD22 LEU 73 1HD2 LEU 73 0.936 8.652 0.147 456 HD23 LEU 73 2HD2 LEU 73 -0.241 7.431 0.689 457 H ALA 74 H ALA 74 5.103 6.191 -0.631 458 HA ALA 74 HA ALA 74 5.032 8.770 -2.169 459 HB1 ALA 74 1HB ALA 74 7.429 7.038 -1.420 460 HB2 ALA 74 2HB ALA 74 7.468 8.429 -2.518 461 HB3 ALA 74 3HB ALA 74 7.063 8.663 -0.803 462 H GLU 75 H GLU 75 3.692 8.083 -3.822 463 HA GLU 75 HA GLU 75 4.255 5.519 -5.198 464 HB3 GLU 75 2HB GLU 75 1.905 7.434 -5.456 465 HG3 GLU 75 2HG GLU 75 0.806 5.218 -6.227 466 HA PRO 76 HA PRO 76 6.886 8.067 -7.220 467 HB3 PRO 76 2HB PRO 76 8.247 6.238 -7.428 468 HG3 PRO 76 2HG PRO 76 7.355 4.124 -8.122 469 HD3 PRO 76 2HD PRO 76 6.096 4.911 -6.275 Start of MODEL 21 1 H2 PRO 6 2H PRO 6 -5.823 -4.532 -19.141 2 HA PRO 6 HA PRO 6 -6.489 -6.871 -17.488 3 HB3 PRO 6 2HB PRO 6 -4.233 -7.600 -17.769 4 HG3 PRO 6 2HG PRO 6 -5.094 -8.158 -19.876 5 HD3 PRO 6 2HD PRO 6 -7.097 -7.072 -19.875 6 H LEU 7 H LEU 7 -5.210 -6.858 -15.376 7 HA LEU 7 HA LEU 7 -5.795 -4.394 -13.936 8 HB3 LEU 7 2HB LEU 7 -4.552 -5.871 -12.108 9 HG LEU 7 HG LEU 7 -6.941 -5.369 -12.087 10 HD11 LEU 7 1HD1 LEU 7 -7.741 -6.209 -14.235 11 HD12 LEU 7 2HD1 LEU 7 -8.579 -7.057 -12.938 12 HD13 LEU 7 3HD1 LEU 7 -7.257 -7.867 -13.805 13 HD21 LEU 7 3HD2 LEU 7 -7.593 -7.324 -10.728 14 HD22 LEU 7 1HD2 LEU 7 -5.930 -6.817 -10.394 15 HD23 LEU 7 2HD2 LEU 7 -6.234 -8.250 -11.403 16 H LYS 8 H LYS 8 -4.194 -3.428 -12.434 17 HA LYS 8 HA LYS 8 -1.536 -3.168 -13.777 18 HB3 LYS 8 2HB LYS 8 -1.408 -0.893 -12.877 19 HG3 LYS 8 2HG LYS 8 -4.047 -1.223 -14.356 20 HD3 LYS 8 2HD LYS 8 -1.974 1.000 -14.544 21 HE3 LYS 8 2HE LYS 8 -4.914 0.772 -15.316 22 HZ1 LYS 8 3HZ LYS 8 -4.829 2.946 -15.972 23 HZ2 LYS 8 1HZ LYS 8 -3.201 3.010 -16.096 24 HZ3 LYS 8 2HZ LYS 8 -3.934 3.034 -14.607 25 H THR 9 H THR 9 0.288 -3.440 -12.592 26 HA THR 9 HA THR 9 0.044 -3.781 -9.625 27 HB THR 9 HB THR 9 0.930 -5.765 -10.983 28 HG1 THR 9 1HG THR 9 1.149 -5.627 -8.820 29 HG21 THR 9 3HG2 THR 9 2.528 -4.390 -12.422 30 HG22 THR 9 1HG2 THR 9 3.241 -5.790 -11.603 31 HG23 THR 9 2HG2 THR 9 3.519 -4.156 -10.969 32 H GLN 10 H GLN 10 1.725 -2.746 -8.315 33 HA GLN 10 HA GLN 10 3.238 -0.550 -9.518 34 HB3 GLN 10 2HB GLN 10 1.025 0.098 -7.535 35 HG3 GLN 10 2HG GLN 10 2.949 1.783 -8.030 36 HE21 GLN 10 1HE2 GLN 10 3.026 3.999 -9.334 37 HE22 GLN 10 2HE2 GLN 10 2.943 3.754 -11.083 38 H GLN 11 H GLN 11 4.809 0.197 -8.028 39 HA GLN 11 HA GLN 11 4.690 -0.860 -5.266 40 HB3 GLN 11 2HB GLN 11 6.307 -2.210 -6.583 41 HG3 GLN 11 2HG GLN 11 7.257 -0.193 -7.958 42 HE21 GLN 11 1HE2 GLN 11 7.883 1.900 -7.427 43 HE22 GLN 11 2HE2 GLN 11 9.127 2.298 -6.255 44 H MET 12 H MET 12 5.982 0.456 -3.712 45 HA MET 12 HA MET 12 6.293 3.284 -4.419 46 HB3 MET 12 2HB MET 12 3.898 3.142 -4.387 47 HG3 MET 12 2HG MET 12 4.140 1.964 -1.587 48 HE1 MET 12 3HE MET 12 0.143 2.563 -3.832 49 HE2 MET 12 1HE MET 12 1.719 2.765 -4.608 50 HE3 MET 12 2HE MET 12 1.220 1.162 -4.028 51 H GLN 13 H GLN 13 7.048 4.635 -2.817 52 HA GLN 13 HA GLN 13 8.417 3.271 -0.575 53 HB3 GLN 13 2HB GLN 13 9.483 5.523 -0.237 54 HG3 GLN 13 2HG GLN 13 9.844 4.457 -3.068 55 HE21 GLN 13 1HE2 GLN 13 10.533 6.830 -3.485 56 HE22 GLN 13 2HE2 GLN 13 12.180 7.189 -3.030 57 H VAL 14 H VAL 14 7.784 3.447 1.481 58 HA VAL 14 HA VAL 14 5.419 5.090 2.227 59 HB VAL 14 HB VAL 14 5.503 2.038 2.198 60 HG11 VAL 14 1HG1 VAL 14 3.388 3.846 3.466 61 HG12 VAL 14 2HG1 VAL 14 3.281 2.083 3.299 62 HG13 VAL 14 3HG1 VAL 14 4.493 2.796 4.364 63 HG21 VAL 14 3HG2 VAL 14 4.794 3.084 0.088 64 HG22 VAL 14 1HG2 VAL 14 3.464 2.221 0.863 65 HG23 VAL 14 2HG2 VAL 14 3.539 3.985 0.953 66 H GLY 15 H GLY 15 5.480 5.704 4.278 67 HA2 GLY 15 2HA GLY 15 8.007 5.515 5.649 68 HA3 GLY 15 3HA GLY 15 6.581 6.423 6.178 69 H GLY 16 H GLY 16 8.458 4.912 7.708 70 HA2 GLY 16 2HA GLY 16 8.462 3.757 9.680 71 HA3 GLY 16 3HA GLY 16 6.691 3.733 9.590 72 H MET 17 H MET 17 7.475 2.083 6.877 73 HA MET 17 HA MET 17 6.471 -0.313 7.969 74 HB3 MET 17 2HB MET 17 7.000 -1.301 5.717 75 HG3 MET 17 2HG MET 17 5.547 0.202 4.428 76 HE1 MET 17 3HE MET 17 3.570 1.940 6.888 77 HE2 MET 17 1HE MET 17 2.977 0.772 8.087 78 HE3 MET 17 2HE MET 17 4.680 1.276 8.095 79 H ARG 18 H ARG 18 9.904 0.554 7.796 80 HA ARG 18 HA ARG 18 10.820 -2.185 8.223 81 HB3 ARG 18 2HB ARG 18 12.932 -1.155 8.991 82 HG3 ARG 18 2HG ARG 18 12.068 0.392 6.565 83 HD3 ARG 18 2HD ARG 18 14.310 -0.029 5.760 84 HE ARG 18 HE ARG 18 15.319 0.273 8.437 85 HH11 ARG 18 1HH1 ARG 18 13.559 2.149 5.962 86 HH12 ARG 18 2HH1 ARG 18 13.953 3.660 6.774 87 HH21 ARG 18 1HH2 ARG 18 15.807 2.257 9.319 88 HH22 ARG 18 2HH2 ARG 18 15.299 3.718 8.527 89 H CYS 19 H CYS 19 9.228 0.045 10.317 90 HA CYS 19 HA CYS 19 10.623 -0.747 12.755 91 HB3 CYS 19 2HB CYS 19 8.163 1.007 12.627 92 HG CYS 19 HG CYS 19 9.262 2.459 14.487 93 H ALA 20 H ALA 20 9.409 -1.368 14.709 94 HA ALA 20 HA ALA 20 8.524 -3.940 14.497 95 HB1 ALA 20 1HB ALA 20 7.888 -1.957 16.716 96 HB2 ALA 20 2HB ALA 20 7.809 -3.725 16.858 97 HB3 ALA 20 3HB ALA 20 9.366 -2.934 16.560 98 H ALA 21 H ALA 21 6.809 -4.934 13.749 99 HA ALA 21 HA ALA 21 4.707 -5.539 13.156 100 HB1 ALA 21 1HB ALA 21 3.869 -3.748 15.477 101 HB2 ALA 21 2HB ALA 21 2.934 -5.075 14.773 102 HB3 ALA 21 3HB ALA 21 4.452 -5.423 15.618 103 H CYS 22 H CYS 22 5.689 -2.609 12.240 104 HA CYS 22 HA CYS 22 3.263 -1.165 11.853 105 HB3 CYS 22 2HB CYS 22 4.795 0.285 10.378 106 HG CYS 22 HG CYS 22 5.774 -0.786 13.388 107 H ALA 23 H ALA 23 4.955 -3.319 9.590 108 HA ALA 23 HA ALA 23 3.284 -2.814 7.321 109 HB1 ALA 23 1HB ALA 23 4.024 -5.150 6.707 110 HB2 ALA 23 2HB ALA 23 5.337 -4.020 7.111 111 HB3 ALA 23 3HB ALA 23 4.825 -5.257 8.278 112 H SER 24 H SER 24 2.561 -4.572 10.326 113 HA SER 24 HA SER 24 0.560 -6.331 9.223 114 HB3 SER 24 2HB SER 24 -0.104 -6.762 11.495 115 HG SER 24 HG SER 24 1.920 -7.140 12.514 116 H SER 25 H SER 25 0.347 -3.017 10.529 117 HA SER 25 HA SER 25 -2.523 -2.996 10.739 118 HB3 SER 25 2HB SER 25 -2.280 -0.596 11.077 119 HG SER 25 HG SER 25 -1.422 -0.897 12.937 120 H ILE 26 H ILE 26 -0.391 -2.470 8.076 121 HA ILE 26 HA ILE 26 -2.591 -1.405 6.342 122 HB ILE 26 HB ILE 26 0.406 -1.731 6.049 123 HG13 ILE 26 2HG1 ILE 26 -1.413 0.602 5.318 124 HG21 ILE 26 1HG2 ILE 26 0.228 -1.141 3.656 125 HG22 ILE 26 2HG2 ILE 26 -0.389 -2.747 3.994 126 HG23 ILE 26 3HG2 ILE 26 -1.528 -1.401 3.722 127 HD11 ILE 26 3HD1 ILE 26 0.440 0.298 7.719 128 HD12 ILE 26 1HD1 ILE 26 -0.244 1.830 7.137 129 HD13 ILE 26 2HD1 ILE 26 -1.324 0.570 7.756 130 H GLU 27 H GLU 27 -0.415 -4.283 6.608 131 HA GLU 27 HA GLU 27 -1.581 -5.437 4.281 132 HB3 GLU 27 2HB GLU 27 -0.030 -7.087 6.265 133 HG3 GLU 27 2HG GLU 27 0.158 -6.748 3.225 134 H ARG 28 H ARG 28 -2.405 -5.829 7.715 135 HA ARG 28 HA ARG 28 -4.045 -8.133 7.563 136 HB3 ARG 28 2HB ARG 28 -4.303 -5.662 9.318 137 HG3 ARG 28 2HG ARG 28 -5.457 -8.466 9.638 138 HD3 ARG 28 2HD ARG 28 -4.976 -6.296 11.721 139 HE ARG 28 HE ARG 28 -6.318 -8.949 12.169 140 HH11 ARG 28 1HH1 ARG 28 -6.231 -5.431 12.879 141 HH12 ARG 28 2HH1 ARG 28 -7.608 -5.599 13.949 142 HH21 ARG 28 1HH2 ARG 28 -7.936 -8.981 13.805 143 HH22 ARG 28 2HH2 ARG 28 -8.453 -7.448 14.483 144 H ALA 29 H ALA 29 -4.746 -4.854 6.456 145 HA ALA 29 HA ALA 29 -7.547 -5.640 5.724 146 HB1 ALA 29 1HB ALA 29 -6.153 -2.929 5.724 147 HB2 ALA 29 2HB ALA 29 -7.854 -3.238 5.308 148 HB3 ALA 29 3HB ALA 29 -7.281 -3.521 6.966 149 H LEU 30 H LEU 30 -4.453 -4.523 4.297 150 HA LEU 30 HA LEU 30 -5.221 -3.617 1.892 151 HB3 LEU 30 2HB LEU 30 -2.789 -5.338 2.477 152 HG LEU 30 HG LEU 30 -2.843 -4.959 0.074 153 HD11 LEU 30 1HD1 LEU 30 -3.167 -2.004 0.747 154 HD12 LEU 30 2HD1 LEU 30 -4.322 -3.031 -0.130 155 HD13 LEU 30 3HD1 LEU 30 -2.774 -2.658 -0.866 156 HD21 LEU 30 3HD2 LEU 30 -0.716 -3.678 -0.116 157 HD22 LEU 30 1HD2 LEU 30 -0.681 -4.828 1.238 158 HD23 LEU 30 2HD2 LEU 30 -0.926 -3.092 1.540 159 H GLU 31 H GLU 31 -4.887 -7.118 2.487 160 HA GLU 31 HA GLU 31 -5.199 -7.721 -0.367 161 HB3 GLU 31 2HB GLU 31 -4.863 -10.017 0.306 162 HG3 GLU 31 2HG GLU 31 -2.977 -8.360 2.015 163 H ARG 32 H ARG 32 -7.375 -7.068 2.101 164 HA ARG 32 HA ARG 32 -9.569 -8.357 0.581 165 HB3 ARG 32 2HB ARG 32 -9.392 -9.320 2.847 166 HG3 ARG 32 2HG ARG 32 -9.718 -6.412 3.676 167 HD3 ARG 32 2HD ARG 32 -9.964 -8.670 5.621 168 HE ARG 32 HE ARG 32 -10.605 -5.759 5.562 169 HH11 ARG 32 1HH1 ARG 32 -10.660 -8.696 7.565 170 HH12 ARG 32 2HH1 ARG 32 -10.756 -7.756 9.036 171 HH21 ARG 32 1HH2 ARG 32 -10.650 -4.662 7.484 172 HH22 ARG 32 2HH2 ARG 32 -10.719 -5.534 8.991 173 H LEU 33 H LEU 33 -8.088 -5.393 1.041 174 HA LEU 33 HA LEU 33 -10.382 -3.613 0.948 175 HB3 LEU 33 2HB LEU 33 -8.845 -2.116 -0.362 176 HG LEU 33 HG LEU 33 -7.502 -3.202 2.137 177 HD11 LEU 33 1HD1 LEU 33 -7.194 -0.477 0.819 178 HD12 LEU 33 2HD1 LEU 33 -6.053 -1.811 0.600 179 HD13 LEU 33 3HD1 LEU 33 -6.296 -1.111 2.209 180 HD21 LEU 33 3HD2 LEU 33 -9.754 -2.372 2.700 181 HD22 LEU 33 1HD2 LEU 33 -9.421 -0.859 1.814 182 HD23 LEU 33 2HD2 LEU 33 -8.512 -1.255 3.282 183 H LYS 34 H LYS 34 -11.977 -3.740 -0.483 184 HA LYS 34 HA LYS 34 -12.048 -6.037 -1.929 185 HB3 LYS 34 2HB LYS 34 -13.967 -3.913 -2.795 186 HG3 LYS 34 2HG LYS 34 -14.162 -6.577 -2.987 187 HD3 LYS 34 2HD LYS 34 -15.317 -5.969 -0.224 188 HE3 LYS 34 2HE LYS 34 -15.400 -8.579 -1.798 189 HZ1 LYS 34 3HZ LYS 34 -17.004 -9.191 -0.086 190 HZ2 LYS 34 1HZ LYS 34 -16.871 -7.748 0.660 191 HZ3 LYS 34 2HZ LYS 34 -15.607 -8.761 0.666 192 H GLY 35 H GLY 35 -11.005 -2.990 -3.320 193 HA2 GLY 35 2HA GLY 35 -11.109 -3.923 -6.108 194 HA3 GLY 35 3HA GLY 35 -10.417 -2.407 -5.499 195 H VAL 36 H VAL 36 -8.890 -4.661 -3.632 196 HA VAL 36 HA VAL 36 -6.494 -4.661 -5.383 197 HB VAL 36 HB VAL 36 -6.842 -5.344 -2.441 198 HG11 VAL 36 1HG1 VAL 36 -4.932 -6.620 -3.299 199 HG12 VAL 36 2HG1 VAL 36 -4.288 -5.170 -4.101 200 HG13 VAL 36 3HG1 VAL 36 -4.345 -5.269 -2.331 201 HG21 VAL 36 3HG2 VAL 36 -5.589 -3.215 -2.082 202 HG22 VAL 36 1HG2 VAL 36 -5.602 -2.919 -3.832 203 HG23 VAL 36 2HG2 VAL 36 -7.121 -2.931 -2.908 204 H ALA 37 H ALA 37 -5.669 -6.405 -6.287 205 HA ALA 37 HA ALA 37 -7.084 -9.022 -6.048 206 HB1 ALA 37 1HB ALA 37 -7.023 -7.896 -8.243 207 HB2 ALA 37 2HB ALA 37 -5.245 -7.878 -8.197 208 HB3 ALA 37 3HB ALA 37 -6.118 -9.422 -8.286 209 H GLU 38 H GLU 38 -3.852 -7.619 -5.580 210 HA GLU 38 HA GLU 38 -3.103 -9.652 -3.845 211 HB3 GLU 38 2HB GLU 38 -2.691 -11.203 -5.566 212 HG3 GLU 38 2HG GLU 38 -0.704 -9.346 -6.921 213 H ALA 39 H ALA 39 -1.106 -9.251 -2.689 214 HA ALA 39 HA ALA 39 0.446 -6.867 -3.250 215 HB1 ALA 39 1HB ALA 39 -0.515 -5.421 -1.552 216 HB2 ALA 39 2HB ALA 39 -1.780 -5.845 -2.706 217 HB3 ALA 39 3HB ALA 39 -1.730 -6.654 -1.129 218 H SER 40 H SER 40 1.919 -6.272 -1.559 219 HA SER 40 HA SER 40 2.194 -7.978 0.823 220 HB3 SER 40 2HB SER 40 4.217 -8.216 -1.437 221 HG SER 40 HG SER 40 5.392 -8.665 0.293 222 H VAL 41 H VAL 41 3.155 -6.812 2.430 223 HA VAL 41 HA VAL 41 4.705 -4.353 1.727 224 HB VAL 41 HB VAL 41 3.956 -5.364 4.493 225 HG11 VAL 41 1HG1 VAL 41 4.401 -2.971 5.099 226 HG12 VAL 41 2HG1 VAL 41 5.836 -3.778 4.458 227 HG13 VAL 41 3HG1 VAL 41 4.911 -2.658 3.433 228 HG21 VAL 41 3HG2 VAL 41 1.846 -4.909 3.292 229 HG22 VAL 41 1HG2 VAL 41 2.150 -3.712 4.554 230 HG23 VAL 41 2HG2 VAL 41 2.435 -3.296 2.858 231 H THR 42 H THR 42 6.883 -4.543 1.571 232 HA THR 42 HA THR 42 8.220 -7.040 2.473 233 HB THR 42 HB THR 42 9.365 -4.738 0.844 234 HG1 THR 42 1HG THR 42 8.018 -7.142 0.108 235 HG21 THR 42 3HG2 THR 42 10.966 -6.456 0.100 236 HG22 THR 42 1HG2 THR 42 10.192 -7.669 1.150 237 HG23 THR 42 2HG2 THR 42 11.043 -6.274 1.855 238 H VAL 43 H VAL 43 8.458 -6.857 4.649 239 HA VAL 43 HA VAL 43 8.987 -4.420 6.040 240 HB VAL 43 HB VAL 43 9.319 -7.316 6.886 241 HG11 VAL 43 1HG1 VAL 43 9.286 -6.483 9.247 242 HG12 VAL 43 2HG1 VAL 43 10.759 -6.038 8.400 243 HG13 VAL 43 3HG1 VAL 43 9.482 -4.823 8.645 244 HG21 VAL 43 3HG2 VAL 43 7.181 -6.873 8.068 245 HG22 VAL 43 1HG2 VAL 43 7.229 -5.192 7.496 246 HG23 VAL 43 2HG2 VAL 43 7.005 -6.525 6.345 247 H ALA 44 H ALA 44 11.268 -6.949 4.860 248 HA ALA 44 HA ALA 44 13.512 -5.908 6.333 249 HB1 ALA 44 1HB ALA 44 13.419 -7.820 3.963 250 HB2 ALA 44 2HB ALA 44 14.768 -7.602 5.099 251 HB3 ALA 44 3HB ALA 44 13.240 -8.271 5.677 252 H THR 45 H THR 45 12.086 -4.639 3.531 253 HA THR 45 HA THR 45 14.491 -2.910 3.031 254 HB THR 45 HB THR 45 13.682 -2.632 0.723 255 HG1 THR 45 1HG THR 45 12.001 -4.020 0.022 256 HG21 THR 45 3HG2 THR 45 14.298 -4.768 -0.182 257 HG22 THR 45 1HG2 THR 45 13.891 -5.618 1.320 258 HG23 THR 45 2HG2 THR 45 15.287 -4.521 1.268 259 H GLY 46 H GLY 46 11.125 -3.101 3.831 260 HA2 GLY 46 2HA GLY 46 9.692 -1.578 4.699 261 HA3 GLY 46 3HA GLY 46 10.982 -0.367 4.731 262 H ARG 47 H ARG 47 9.206 -2.168 2.184 263 HA ARG 47 HA ARG 47 7.945 0.262 1.199 264 HB3 ARG 47 2HB ARG 47 10.070 0.499 0.071 265 HG3 ARG 47 2HG ARG 47 9.521 -2.257 -1.106 266 HD3 ARG 47 2HD ARG 47 10.052 -0.680 -2.916 267 HE ARG 47 HE ARG 47 12.327 0.105 -1.153 268 HH11 ARG 47 1HH1 ARG 47 10.763 0.596 -4.334 269 HH12 ARG 47 2HH1 ARG 47 11.745 1.994 -4.653 270 HH21 ARG 47 1HH2 ARG 47 13.520 1.885 -1.677 271 HH22 ARG 47 2HH2 ARG 47 13.269 2.724 -3.189 272 H LEU 48 H LEU 48 6.645 -0.289 -0.917 273 HA LEU 48 HA LEU 48 5.095 -2.757 -0.214 274 HB3 LEU 48 2HB LEU 48 3.536 -0.430 -1.140 275 HG LEU 48 HG LEU 48 3.566 -1.934 1.502 276 HD11 LEU 48 1HD1 LEU 48 2.661 0.259 1.861 277 HD12 LEU 48 2HD1 LEU 48 1.288 -0.850 1.752 278 HD13 LEU 48 3HD1 LEU 48 1.697 0.179 0.368 279 HD21 LEU 48 3HD2 LEU 48 1.709 -2.184 -0.916 280 HD22 LEU 48 1HD2 LEU 48 1.439 -2.944 0.668 281 HD23 LEU 48 2HD2 LEU 48 2.824 -3.424 -0.293 282 H THR 49 H THR 49 3.864 -3.742 -1.775 283 HA THR 49 HA THR 49 3.888 -2.834 -4.617 284 HB THR 49 HB THR 49 4.278 -5.741 -3.834 285 HG1 THR 49 1HG THR 49 6.101 -4.726 -3.207 286 HG21 THR 49 3HG2 THR 49 4.953 -5.942 -6.214 287 HG22 THR 49 1HG2 THR 49 4.658 -4.207 -6.454 288 HG23 THR 49 2HG2 THR 49 3.314 -5.311 -6.081 289 H VAL 50 H VAL 50 1.946 -3.039 -5.522 290 HA VAL 50 HA VAL 50 -0.197 -4.675 -4.281 291 HB VAL 50 HB VAL 50 -0.265 -2.525 -3.094 292 HG11 VAL 50 1HG1 VAL 50 0.677 -1.025 -4.828 293 HG12 VAL 50 2HG1 VAL 50 -0.814 -1.189 -5.779 294 HG13 VAL 50 3HG1 VAL 50 -0.854 -0.424 -4.183 295 HG21 VAL 50 3HG2 VAL 50 -2.620 -1.991 -3.396 296 HG22 VAL 50 1HG2 VAL 50 -2.650 -2.801 -4.969 297 HG23 VAL 50 2HG2 VAL 50 -2.378 -3.740 -3.484 298 H THR 51 H THR 51 -1.784 -5.314 -5.672 299 HA THR 51 HA THR 51 -1.689 -4.435 -8.531 300 HB THR 51 HB THR 51 -2.178 -7.233 -7.396 301 HG1 THR 51 1HG THR 51 -0.015 -6.730 -7.371 302 HG21 THR 51 3HG2 THR 51 -3.469 -6.832 -9.515 303 HG22 THR 51 1HG2 THR 51 -2.112 -7.924 -9.798 304 HG23 THR 51 2HG2 THR 51 -2.003 -6.227 -10.303 305 H TYR 52 H TYR 52 -3.550 -3.658 -9.284 306 HA TYR 52 HA TYR 52 -6.115 -4.190 -7.868 307 HB3 TYR 52 2HB TYR 52 -5.145 -2.336 -6.695 308 HD1 TYR 52 2HD TYR 52 -6.026 -0.577 -9.919 309 HD2 TYR 52 1HD TYR 52 -3.072 -1.213 -6.846 310 HE1 TYR 52 2HE TYR 52 -4.641 1.250 -10.873 311 HE2 TYR 52 1HE TYR 52 -1.699 0.635 -7.774 312 HH TYR 52 HH TYR 52 -1.606 2.367 -9.357 313 H ASP 53 H ASP 53 -8.029 -3.171 -8.925 314 HA ASP 53 HA ASP 53 -7.872 -3.426 -11.859 315 HB3 ASP 53 2HB ASP 53 -10.241 -3.348 -9.977 316 HA PRO 54 HA PRO 54 -7.606 1.048 -11.639 317 HB3 PRO 54 2HB PRO 54 -5.946 0.717 -13.241 318 HG3 PRO 54 2HG PRO 54 -6.297 -0.784 -15.117 319 HD3 PRO 54 2HD PRO 54 -6.441 -2.008 -13.096 320 H LYS 55 H LYS 55 -10.306 -0.532 -12.388 321 HA LYS 55 HA LYS 55 -11.808 1.879 -13.393 322 HB3 LYS 55 2HB LYS 55 -13.388 0.225 -14.486 323 HG3 LYS 55 2HG LYS 55 -11.977 -0.413 -16.432 324 HD3 LYS 55 2HD LYS 55 -11.204 1.787 -17.170 325 HE3 LYS 55 2HE LYS 55 -13.790 2.227 -15.619 326 HZ1 LYS 55 3HZ LYS 55 -14.322 3.499 -17.599 327 HZ2 LYS 55 1HZ LYS 55 -12.923 3.068 -18.327 328 HZ3 LYS 55 2HZ LYS 55 -12.863 4.047 -17.032 329 H GLN 56 H GLN 56 -11.700 -0.911 -11.222 330 HA GLN 56 HA GLN 56 -14.060 0.144 -9.755 331 HB3 GLN 56 2HB GLN 56 -13.576 -1.575 -8.113 332 HG3 GLN 56 2HG GLN 56 -13.991 -3.568 -9.339 333 HE21 GLN 56 1HE2 GLN 56 -14.601 -2.616 -12.435 334 HE22 GLN 56 2HE2 GLN 56 -16.161 -1.836 -12.199 335 H VAL 57 H VAL 57 -10.456 0.399 -9.504 336 HA VAL 57 HA VAL 57 -10.814 2.555 -7.493 337 HB VAL 57 HB VAL 57 -9.320 1.540 -5.865 338 HG11 VAL 57 1HG1 VAL 57 -10.773 -0.070 -4.830 339 HG12 VAL 57 2HG1 VAL 57 -11.742 1.233 -5.532 340 HG13 VAL 57 3HG1 VAL 57 -11.645 -0.354 -6.339 341 HG21 VAL 57 3HG2 VAL 57 -8.659 -0.815 -5.928 342 HG22 VAL 57 1HG2 VAL 57 -9.478 -1.044 -7.487 343 HG23 VAL 57 2HG2 VAL 57 -8.049 0.003 -7.369 344 H SER 58 H SER 58 -8.273 2.895 -6.575 345 HA SER 58 HA SER 58 -6.233 2.713 -8.649 346 HB3 SER 58 2HB SER 58 -7.521 4.804 -9.266 347 HG SER 58 HG SER 58 -8.094 5.699 -7.318 348 H GLU 59 H GLU 59 -4.255 4.363 -7.557 349 HA GLU 59 HA GLU 59 -3.469 3.169 -5.123 350 HB3 GLU 59 2HB GLU 59 -1.871 4.235 -6.565 351 HG3 GLU 59 2HG GLU 59 -1.488 6.710 -6.400 352 H ILE 60 H ILE 60 -5.906 5.569 -5.509 353 HA ILE 60 HA ILE 60 -5.858 6.835 -2.927 354 HB ILE 60 HB ILE 60 -7.935 6.210 -5.010 355 HG13 ILE 60 2HG1 ILE 60 -8.038 8.614 -5.338 356 HG21 ILE 60 1HG2 ILE 60 -9.604 7.588 -3.820 357 HG22 ILE 60 2HG2 ILE 60 -9.258 6.023 -3.091 358 HG23 ILE 60 3HG2 ILE 60 -8.578 7.506 -2.363 359 HD11 ILE 60 3HD1 ILE 60 -7.345 9.436 -3.063 360 HD12 ILE 60 1HD1 ILE 60 -5.679 8.925 -3.442 361 HD13 ILE 60 2HD1 ILE 60 -6.464 10.175 -4.410 362 H THR 61 H THR 61 -7.027 3.599 -3.857 363 HA THR 61 HA THR 61 -8.406 2.959 -1.420 364 HB THR 61 HB THR 61 -7.036 1.314 -3.562 365 HG1 THR 61 1HG THR 61 -9.015 2.372 -3.967 366 HG21 THR 61 3HG2 THR 61 -8.223 -0.663 -2.610 367 HG22 THR 61 1HG2 THR 61 -8.560 0.276 -1.135 368 HG23 THR 61 2HG2 THR 61 -6.884 -0.124 -1.596 369 H ILE 62 H ILE 62 -4.968 2.820 -2.218 370 HA ILE 62 HA ILE 62 -4.367 1.673 0.472 371 HB ILE 62 HB ILE 62 -3.506 0.582 -1.575 372 HG13 ILE 62 2HG1 ILE 62 -2.515 0.240 0.630 373 HG21 ILE 62 1HG2 ILE 62 -1.599 1.505 -2.798 374 HG22 ILE 62 2HG2 ILE 62 -3.008 2.521 -2.970 375 HG23 ILE 62 3HG2 ILE 62 -1.695 3.016 -1.869 376 HD11 ILE 62 3HD1 ILE 62 -1.511 -0.841 -1.500 377 HD12 ILE 62 1HD1 ILE 62 -0.213 0.359 -1.347 378 HD13 ILE 62 2HD1 ILE 62 -0.504 -0.805 -0.041 379 H GLN 63 H GLN 63 -3.867 4.698 -1.341 380 HA GLN 63 HA GLN 63 -2.190 6.103 0.430 381 HB3 GLN 63 2HB GLN 63 -4.719 7.064 -0.999 382 HG3 GLN 63 2HG GLN 63 -2.359 8.726 -0.025 383 HE21 GLN 63 1HE2 GLN 63 -5.793 9.740 -0.110 384 HE22 GLN 63 2HE2 GLN 63 -5.559 10.860 -1.448 385 H GLU 64 H GLU 64 -5.791 5.849 0.646 386 HA GLU 64 HA GLU 64 -5.933 7.316 3.077 387 HB3 GLU 64 2HB GLU 64 -8.246 6.370 3.228 388 HG3 GLU 64 2HG GLU 64 -9.125 7.186 1.075 389 H ARG 65 H ARG 65 -5.523 3.845 2.497 390 HA ARG 65 HA ARG 65 -5.846 2.924 5.185 391 HB3 ARG 65 2HB ARG 65 -4.122 1.772 2.930 392 HG3 ARG 65 2HG ARG 65 -3.682 0.519 4.946 393 HD3 ARG 65 2HD ARG 65 -5.479 0.950 6.439 394 HE ARG 65 HE ARG 65 -7.208 0.741 4.238 395 HH11 ARG 65 1HH1 ARG 65 -7.331 -0.491 7.583 396 HH12 ARG 65 2HH1 ARG 65 -9.057 -0.220 7.649 397 HH21 ARG 65 1HH2 ARG 65 -9.287 0.988 4.381 398 HH22 ARG 65 2HH2 ARG 65 -10.174 0.590 5.846 399 H ILE 66 H ILE 66 -2.973 4.048 3.379 400 HA ILE 66 HA ILE 66 -1.119 3.497 5.588 401 HB ILE 66 HB ILE 66 -0.936 5.097 3.002 402 HG13 ILE 66 2HG1 ILE 66 -1.072 2.453 3.086 403 HG21 ILE 66 1HG2 ILE 66 1.294 4.469 4.988 404 HG22 ILE 66 2HG2 ILE 66 1.503 5.210 3.400 405 HG23 ILE 66 3HG2 ILE 66 0.634 6.091 4.642 406 HD11 ILE 66 3HD1 ILE 66 -0.408 3.575 1.045 407 HD12 ILE 66 1HD1 ILE 66 1.250 3.799 1.656 408 HD13 ILE 66 2HD1 ILE 66 0.628 2.173 1.343 409 H ALA 67 H ALA 67 -2.708 6.486 4.379 410 HA ALA 67 HA ALA 67 -1.437 8.196 6.245 411 HB1 ALA 67 1HB ALA 67 -3.193 9.809 5.533 412 HB2 ALA 67 2HB ALA 67 -2.499 8.936 4.153 413 HB3 ALA 67 3HB ALA 67 -4.104 8.488 4.771 414 H ALA 68 H ALA 68 -4.632 6.478 6.486 415 HA ALA 68 HA ALA 68 -5.478 7.786 8.899 416 HB1 ALA 68 1HB ALA 68 -7.226 6.031 8.902 417 HB2 ALA 68 2HB ALA 68 -7.034 6.750 7.296 418 HB3 ALA 68 3HB ALA 68 -6.349 5.145 7.635 419 H LEU 69 H LEU 69 -3.678 4.754 8.353 420 HA LEU 69 HA LEU 69 -3.711 4.025 11.192 421 HB3 LEU 69 2HB LEU 69 -2.008 2.273 10.213 422 HG LEU 69 HG LEU 69 -3.750 0.862 9.263 423 HD11 LEU 69 1HD1 LEU 69 -3.426 1.137 11.767 424 HD12 LEU 69 2HD1 LEU 69 -5.026 0.545 11.272 425 HD13 LEU 69 3HD1 LEU 69 -4.813 2.236 11.759 426 HD21 LEU 69 3HD2 LEU 69 -5.185 2.586 8.129 427 HD22 LEU 69 1HD2 LEU 69 -5.757 3.114 9.721 428 HD23 LEU 69 2HD2 LEU 69 -6.090 1.471 9.156 429 H GLY 70 H GLY 70 -2.218 6.537 9.898 430 HA2 GLY 70 2HA GLY 70 -0.950 7.970 11.235 431 HA3 GLY 70 3HA GLY 70 -0.317 6.589 12.163 432 H TYR 71 H TYR 71 -0.030 5.999 8.837 433 HA TYR 71 HA TYR 71 2.870 6.699 8.886 434 HB3 TYR 71 2HB TYR 71 3.077 4.926 7.205 435 HD1 TYR 71 2HD TYR 71 4.402 4.343 9.272 436 HD2 TYR 71 1HD TYR 71 0.215 3.409 8.884 437 HE1 TYR 71 2HE TYR 71 4.588 2.748 11.162 438 HE2 TYR 71 1HE TYR 71 0.390 1.819 10.794 439 HH TYR 71 HH TYR 71 3.484 1.251 12.490 440 H THR 72 H THR 72 3.452 6.647 6.228 441 HA THR 72 HA THR 72 1.893 8.754 4.859 442 HB THR 72 HB THR 72 4.072 10.041 4.506 443 HG1 THR 72 1HG THR 72 5.621 8.662 4.964 444 HG21 THR 72 3HG2 THR 72 3.355 9.832 7.454 445 HG22 THR 72 1HG2 THR 72 2.451 10.784 6.254 446 HG23 THR 72 2HG2 THR 72 4.139 11.183 6.617 447 H LEU 73 H LEU 73 2.902 9.154 2.581 448 HA LEU 73 HA LEU 73 4.625 7.022 1.574 449 HB3 LEU 73 2HB LEU 73 2.270 6.045 1.527 450 HG LEU 73 HG LEU 73 1.953 7.864 -0.905 451 HD11 LEU 73 1HD1 LEU 73 -0.118 6.646 -1.312 452 HD12 LEU 73 2HD1 LEU 73 0.169 5.630 0.117 453 HD13 LEU 73 3HD1 LEU 73 1.256 5.528 -1.286 454 HD21 LEU 73 3HD2 LEU 73 1.242 9.094 1.099 455 HD22 LEU 73 1HD2 LEU 73 0.238 7.716 1.615 456 HD23 LEU 73 2HD2 LEU 73 -0.149 8.625 0.134 457 H ALA 74 H ALA 74 5.194 7.183 -0.668 458 HA ALA 74 HA ALA 74 4.351 9.662 -2.079 459 HB1 ALA 74 1HB ALA 74 7.187 8.530 -2.051 460 HB2 ALA 74 2HB ALA 74 6.606 9.857 -3.081 461 HB3 ALA 74 3HB ALA 74 6.660 10.061 -1.317 462 H GLU 75 H GLU 75 2.986 8.844 -3.575 463 HA GLU 75 HA GLU 75 4.054 6.719 -5.402 464 HB3 GLU 75 2HB GLU 75 1.093 7.313 -5.316 465 HG3 GLU 75 2HG GLU 75 0.905 4.915 -5.751 466 HA PRO 76 HA PRO 76 4.066 10.871 -7.328 467 HB3 PRO 76 2HB PRO 76 6.331 10.993 -7.015 468 HG3 PRO 76 2HG PRO 76 7.718 9.057 -7.172 469 HD3 PRO 76 2HD PRO 76 6.053 8.539 -5.591 Start of MODEL 22 1 H2 PRO 6 2H PRO 6 -6.950 -3.598 -16.822 2 HA PRO 6 HA PRO 6 -9.092 -4.543 -15.072 3 HB3 PRO 6 2HB PRO 6 -8.842 -6.728 -15.714 4 HG3 PRO 6 2HG PRO 6 -9.348 -6.341 -17.959 5 HD3 PRO 6 2HD PRO 6 -9.740 -4.099 -17.614 6 H LEU 7 H LEU 7 -7.388 -6.362 -13.617 7 HA LEU 7 HA LEU 7 -5.984 -4.511 -11.958 8 HB3 LEU 7 2HB LEU 7 -7.262 -6.411 -11.071 9 HG LEU 7 HG LEU 7 -4.959 -8.175 -12.034 10 HD11 LEU 7 1HD1 LEU 7 -7.300 -8.776 -10.187 11 HD12 LEU 7 2HD1 LEU 7 -5.584 -8.653 -9.738 12 HD13 LEU 7 3HD1 LEU 7 -6.122 -9.964 -10.789 13 HD21 LEU 7 3HD2 LEU 7 -7.926 -8.217 -12.733 14 HD22 LEU 7 1HD2 LEU 7 -6.831 -9.588 -13.016 15 HD23 LEU 7 2HD2 LEU 7 -6.546 -8.069 -13.854 16 H LYS 8 H LYS 8 -3.861 -4.237 -11.516 17 HA LYS 8 HA LYS 8 -1.745 -5.637 -13.072 18 HB3 LYS 8 2HB LYS 8 -0.721 -3.431 -13.594 19 HG3 LYS 8 2HG LYS 8 -3.541 -3.458 -14.732 20 HD3 LYS 8 2HD LYS 8 -2.426 -2.669 -16.779 21 HE3 LYS 8 2HE LYS 8 -1.670 -0.917 -14.397 22 HZ1 LYS 8 3HZ LYS 8 -2.236 -0.189 -17.219 23 HZ2 LYS 8 1HZ LYS 8 -0.737 -0.231 -16.564 24 HZ3 LYS 8 2HZ LYS 8 -1.836 0.864 -16.035 25 H THR 9 H THR 9 0.304 -5.591 -12.062 26 HA THR 9 HA THR 9 0.341 -5.152 -9.168 27 HB THR 9 HB THR 9 1.420 -7.076 -10.352 28 HG1 THR 9 1HG THR 9 3.057 -7.086 -8.878 29 HG21 THR 9 3HG2 THR 9 3.635 -6.846 -11.280 30 HG22 THR 9 1HG2 THR 9 3.679 -5.107 -10.930 31 HG23 THR 9 2HG2 THR 9 2.583 -5.737 -12.176 32 H GLN 10 H GLN 10 1.807 -3.804 -8.010 33 HA GLN 10 HA GLN 10 3.188 -1.587 -9.328 34 HB3 GLN 10 2HB GLN 10 0.754 -1.155 -7.516 35 HG3 GLN 10 2HG GLN 10 2.364 0.689 -7.207 36 HE21 GLN 10 1HE2 GLN 10 1.120 1.691 -10.384 37 HE22 GLN 10 2HE2 GLN 10 2.679 1.947 -11.119 38 H GLN 11 H GLN 11 4.544 -0.422 -7.825 39 HA GLN 11 HA GLN 11 4.674 -1.456 -5.045 40 HB3 GLN 11 2HB GLN 11 7.197 -0.982 -5.189 41 HG3 GLN 11 2HG GLN 11 6.361 -3.329 -6.918 42 HE21 GLN 11 1HE2 GLN 11 8.644 -2.996 -7.794 43 HE22 GLN 11 2HE2 GLN 11 10.011 -3.428 -6.781 44 H MET 12 H MET 12 5.488 0.067 -3.510 45 HA MET 12 HA MET 12 6.210 2.769 -4.320 46 HB3 MET 12 2HB MET 12 3.791 3.049 -4.360 47 HG3 MET 12 2HG MET 12 2.576 3.107 -2.146 48 HE1 MET 12 3HE MET 12 0.719 0.821 -4.629 49 HE2 MET 12 1HE MET 12 0.850 2.426 -3.890 50 HE3 MET 12 2HE MET 12 2.071 1.871 -5.063 51 H GLN 13 H GLN 13 6.798 4.145 -2.429 52 HA GLN 13 HA GLN 13 7.830 2.553 -0.135 53 HB3 GLN 13 2HB GLN 13 8.304 5.478 -0.797 54 HG3 GLN 13 2HG GLN 13 9.977 3.573 0.900 55 HE21 GLN 13 1HE2 GLN 13 11.856 4.605 -0.294 56 HE22 GLN 13 2HE2 GLN 13 12.344 6.208 0.275 57 H VAL 14 H VAL 14 7.150 3.018 1.970 58 HA VAL 14 HA VAL 14 4.794 4.834 2.294 59 HB VAL 14 HB VAL 14 3.945 2.711 2.666 60 HG11 VAL 14 1HG1 VAL 14 4.857 1.032 4.260 61 HG12 VAL 14 2HG1 VAL 14 5.869 1.279 2.841 62 HG13 VAL 14 3HG1 VAL 14 6.339 2.002 4.398 63 HG21 VAL 14 3HG2 VAL 14 3.378 4.403 4.415 64 HG22 VAL 14 1HG2 VAL 14 3.258 2.733 5.000 65 HG23 VAL 14 2HG2 VAL 14 4.647 3.739 5.452 66 H GLY 15 H GLY 15 5.016 6.478 3.602 67 HA2 GLY 15 2HA GLY 15 7.683 7.119 4.622 68 HA3 GLY 15 3HA GLY 15 6.263 8.184 4.568 69 H GLY 16 H GLY 16 8.230 6.208 6.493 70 HA2 GLY 16 2HA GLY 16 8.376 6.457 8.825 71 HA3 GLY 16 3HA GLY 16 6.637 6.758 8.942 72 H MET 17 H MET 17 6.609 4.095 7.003 73 HA MET 17 HA MET 17 6.507 2.261 9.364 74 HB3 MET 17 2HB MET 17 5.363 1.706 6.619 75 HG3 MET 17 2HG MET 17 3.705 0.428 7.902 76 HE1 MET 17 3HE MET 17 6.313 -0.338 6.101 77 HE2 MET 17 1HE MET 17 6.407 -2.069 6.429 78 HE3 MET 17 2HE MET 17 4.823 -1.308 6.146 79 H ARG 18 H ARG 18 8.155 0.915 9.664 80 HA ARG 18 HA ARG 18 9.211 -0.749 7.561 81 HB3 ARG 18 2HB ARG 18 10.572 1.060 6.965 82 HG3 ARG 18 2HG ARG 18 11.445 1.281 9.883 83 HD3 ARG 18 2HD ARG 18 13.303 1.681 8.343 84 HE ARG 18 HE ARG 18 11.322 3.184 6.795 85 HH11 ARG 18 1HH1 ARG 18 14.823 2.981 7.362 86 HH12 ARG 18 2HH1 ARG 18 15.141 3.314 5.663 87 HH21 ARG 18 1HH2 ARG 18 11.832 3.682 4.769 88 HH22 ARG 18 2HH2 ARG 18 13.500 3.737 4.223 89 H CYS 19 H CYS 19 7.808 -1.401 9.765 90 HA CYS 19 HA CYS 19 9.705 -3.245 11.097 91 HB3 CYS 19 2HB CYS 19 9.326 -1.426 12.708 92 HG CYS 19 HG CYS 19 7.045 -0.809 13.884 93 H ALA 20 H ALA 20 8.908 -5.307 11.416 94 HA ALA 20 HA ALA 20 6.723 -6.230 9.802 95 HB1 ALA 20 1HB ALA 20 8.628 -7.644 10.446 96 HB2 ALA 20 2HB ALA 20 8.157 -7.543 12.158 97 HB3 ALA 20 3HB ALA 20 7.100 -8.359 10.994 98 H ALA 21 H ALA 21 6.868 -5.216 13.188 99 HA ALA 21 HA ALA 21 4.341 -5.966 14.124 100 HB1 ALA 21 1HB ALA 21 6.124 -4.998 15.508 101 HB2 ALA 21 2HB ALA 21 5.942 -3.430 14.688 102 HB3 ALA 21 3HB ALA 21 4.628 -4.072 15.692 103 H CYS 22 H CYS 22 5.043 -3.344 11.804 104 HA CYS 22 HA CYS 22 2.115 -2.705 11.835 105 HB3 CYS 22 2HB CYS 22 4.292 -0.767 10.991 106 HG CYS 22 HG CYS 22 1.584 -0.761 10.228 107 H ALA 23 H ALA 23 4.754 -3.628 9.582 108 HA ALA 23 HA ALA 23 3.419 -3.392 7.142 109 HB1 ALA 23 1HB ALA 23 5.643 -4.357 7.473 110 HB2 ALA 23 2HB ALA 23 4.958 -5.719 8.385 111 HB3 ALA 23 3HB ALA 23 4.557 -5.527 6.669 112 H SER 24 H SER 24 2.806 -5.766 9.787 113 HA SER 24 HA SER 24 0.802 -7.295 8.449 114 HB3 SER 24 2HB SER 24 0.164 -7.980 10.755 115 HG SER 24 HG SER 24 2.743 -8.105 9.713 116 H SER 25 H SER 25 0.499 -4.094 9.936 117 HA SER 25 HA SER 25 -2.428 -4.166 10.051 118 HB3 SER 25 2HB SER 25 -2.327 -2.033 10.963 119 HG SER 25 HG SER 25 -0.685 -2.006 12.458 120 H ILE 26 H ILE 26 -0.009 -3.392 7.691 121 HA ILE 26 HA ILE 26 -2.051 -2.219 5.846 122 HB ILE 26 HB ILE 26 0.914 -2.848 5.505 123 HG13 ILE 26 2HG1 ILE 26 -0.700 -0.284 5.682 124 HG21 ILE 26 1HG2 ILE 26 -0.155 -3.427 3.409 125 HG22 ILE 26 2HG2 ILE 26 -1.105 -1.914 3.428 126 HG23 ILE 26 3HG2 ILE 26 0.658 -1.889 3.222 127 HD11 ILE 26 3HD1 ILE 26 0.560 -0.924 7.736 128 HD12 ILE 26 1HD1 ILE 26 2.051 -1.047 6.777 129 HD13 ILE 26 2HD1 ILE 26 1.245 0.524 6.977 130 H GLU 27 H GLU 27 0.039 -5.129 6.016 131 HA GLU 27 HA GLU 27 -0.959 -6.194 3.611 132 HB3 GLU 27 2HB GLU 27 0.087 -8.368 4.439 133 HG3 GLU 27 2HG GLU 27 1.868 -5.913 4.738 134 H ARG 28 H ARG 28 -2.120 -6.832 6.981 135 HA ARG 28 HA ARG 28 -3.753 -9.072 6.207 136 HB3 ARG 28 2HB ARG 28 -4.109 -7.248 8.597 137 HG3 ARG 28 2HG ARG 28 -4.999 -10.100 7.974 138 HD3 ARG 28 2HD ARG 28 -6.034 -10.003 10.276 139 HE ARG 28 HE ARG 28 -3.189 -9.846 10.864 140 HH11 ARG 28 1HH1 ARG 28 -5.625 -12.018 9.370 141 HH12 ARG 28 2HH1 ARG 28 -4.672 -13.416 9.840 142 HH21 ARG 28 1HH2 ARG 28 -2.011 -11.748 11.125 143 HH22 ARG 28 2HH2 ARG 28 -2.777 -13.283 10.708 144 H ALA 29 H ALA 29 -4.581 -5.603 6.655 145 HA ALA 29 HA ALA 29 -7.341 -5.931 5.832 146 HB1 ALA 29 1HB ALA 29 -6.617 -4.087 7.293 147 HB2 ALA 29 2HB ALA 29 -5.551 -3.460 6.009 148 HB3 ALA 29 3HB ALA 29 -7.318 -3.457 5.788 149 H LEU 30 H LEU 30 -4.347 -5.003 4.079 150 HA LEU 30 HA LEU 30 -5.546 -3.796 1.903 151 HB3 LEU 30 2HB LEU 30 -2.916 -5.306 2.046 152 HG LEU 30 HG LEU 30 -3.242 -4.701 -0.291 153 HD11 LEU 30 1HD1 LEU 30 -3.580 -2.313 -0.972 154 HD12 LEU 30 2HD1 LEU 30 -3.906 -1.897 0.724 155 HD13 LEU 30 3HD1 LEU 30 -4.988 -2.993 -0.166 156 HD21 LEU 30 3HD2 LEU 30 -1.510 -2.584 1.070 157 HD22 LEU 30 1HD2 LEU 30 -1.294 -3.266 -0.555 158 HD23 LEU 30 2HD2 LEU 30 -1.027 -4.277 0.879 159 H GLU 31 H GLU 31 -5.013 -7.331 2.205 160 HA GLU 31 HA GLU 31 -5.873 -7.849 -0.530 161 HB3 GLU 31 2HB GLU 31 -4.425 -9.437 0.647 162 HG3 GLU 31 2HG GLU 31 -6.836 -9.875 2.467 163 H ARG 32 H ARG 32 -7.557 -7.038 2.349 164 HA ARG 32 HA ARG 32 -10.105 -8.137 1.349 165 HB3 ARG 32 2HB ARG 32 -11.011 -7.679 3.582 166 HG3 ARG 32 2HG ARG 32 -8.435 -9.218 3.991 167 HD3 ARG 32 2HD ARG 32 -11.307 -9.645 4.897 168 HE ARG 32 HE ARG 32 -9.192 -11.545 4.654 169 HH11 ARG 32 1HH1 ARG 32 -11.845 -10.724 6.861 170 HH12 ARG 32 2HH1 ARG 32 -11.894 -12.336 7.531 171 HH21 ARG 32 1HH2 ARG 32 -9.334 -13.559 5.506 172 HH22 ARG 32 2HH2 ARG 32 -10.566 -13.955 6.678 173 H LEU 33 H LEU 33 -8.384 -5.137 1.417 174 HA LEU 33 HA LEU 33 -10.648 -3.341 1.315 175 HB3 LEU 33 2HB LEU 33 -9.113 -1.817 0.109 176 HG LEU 33 HG LEU 33 -7.572 -3.092 2.391 177 HD11 LEU 33 1HD1 LEU 33 -6.507 -0.917 2.580 178 HD12 LEU 33 2HD1 LEU 33 -7.563 -0.246 1.318 179 HD13 LEU 33 3HD1 LEU 33 -6.355 -1.471 0.905 180 HD21 LEU 33 3HD2 LEU 33 -8.586 -1.363 3.847 181 HD22 LEU 33 1HD2 LEU 33 -9.793 -2.517 3.258 182 HD23 LEU 33 2HD2 LEU 33 -9.669 -0.897 2.524 183 H LYS 34 H LYS 34 -11.858 -2.563 -0.312 184 HA LYS 34 HA LYS 34 -12.591 -4.452 -2.303 185 HB3 LYS 34 2HB LYS 34 -14.090 -2.552 -3.077 186 HG3 LYS 34 2HG LYS 34 -14.053 -3.196 -0.093 187 HD3 LYS 34 2HD LYS 34 -15.639 -1.354 -0.746 188 HE3 LYS 34 2HE LYS 34 -16.784 -3.637 -2.423 189 HZ1 LYS 34 3HZ LYS 34 -18.527 -2.564 -1.128 190 HZ2 LYS 34 1HZ LYS 34 -18.724 -2.247 -2.719 191 HZ3 LYS 34 2HZ LYS 34 -18.109 -1.085 -1.728 192 H GLY 35 H GLY 35 -12.002 -4.827 -4.316 193 HA2 GLY 35 2HA GLY 35 -11.347 -4.342 -6.518 194 HA3 GLY 35 3HA GLY 35 -10.666 -2.786 -6.008 195 H VAL 36 H VAL 36 -9.382 -4.783 -3.774 196 HA VAL 36 HA VAL 36 -6.834 -4.971 -5.270 197 HB VAL 36 HB VAL 36 -7.340 -5.352 -2.301 198 HG11 VAL 36 1HG1 VAL 36 -4.877 -4.853 -2.120 199 HG12 VAL 36 2HG1 VAL 36 -5.198 -6.346 -2.999 200 HG13 VAL 36 3HG1 VAL 36 -4.770 -4.861 -3.884 201 HG21 VAL 36 3HG2 VAL 36 -6.458 -2.841 -3.799 202 HG22 VAL 36 1HG2 VAL 36 -7.971 -3.053 -2.892 203 HG23 VAL 36 2HG2 VAL 36 -6.431 -3.034 -2.039 204 H ALA 37 H ALA 37 -5.758 -6.848 -5.656 205 HA ALA 37 HA ALA 37 -7.215 -9.422 -5.109 206 HB1 ALA 37 1HB ALA 37 -5.438 -8.565 -7.426 207 HB2 ALA 37 2HB ALA 37 -6.324 -10.100 -7.300 208 HB3 ALA 37 3HB ALA 37 -7.219 -8.574 -7.437 209 H GLU 38 H GLU 38 -4.004 -7.951 -4.805 210 HA GLU 38 HA GLU 38 -2.961 -10.203 -3.326 211 HB3 GLU 38 2HB GLU 38 -1.799 -9.610 -6.076 212 HG3 GLU 38 2HG GLU 38 -0.856 -11.547 -3.927 213 H ALA 39 H ALA 39 -1.286 -9.436 -1.900 214 HA ALA 39 HA ALA 39 0.302 -7.108 -2.650 215 HB1 ALA 39 1HB ALA 39 -1.850 -6.061 -1.915 216 HB2 ALA 39 2HB ALA 39 -1.651 -6.836 -0.327 217 HB3 ALA 39 3HB ALA 39 -0.466 -5.633 -0.901 218 H SER 40 H SER 40 1.995 -6.555 -1.178 219 HA SER 40 HA SER 40 2.520 -8.137 1.224 220 HB3 SER 40 2HB SER 40 3.006 -9.840 -0.450 221 HG SER 40 HG SER 40 3.547 -8.558 -2.235 222 H VAL 41 H VAL 41 4.306 -7.415 2.460 223 HA VAL 41 HA VAL 41 5.367 -4.753 1.751 224 HB VAL 41 HB VAL 41 4.482 -5.479 4.108 225 HG11 VAL 41 1HG1 VAL 41 5.889 -7.562 4.174 226 HG12 VAL 41 2HG1 VAL 41 7.318 -6.529 4.368 227 HG13 VAL 41 3HG1 VAL 41 6.063 -6.530 5.593 228 HG21 VAL 41 3HG2 VAL 41 5.861 -3.923 5.237 229 HG22 VAL 41 1HG2 VAL 41 7.124 -4.007 4.010 230 HG23 VAL 41 2HG2 VAL 41 5.537 -3.311 3.617 231 H THR 42 H THR 42 7.558 -4.110 1.791 232 HA THR 42 HA THR 42 9.651 -6.200 2.189 233 HB THR 42 HB THR 42 9.994 -3.762 0.406 234 HG1 THR 42 1HG THR 42 9.292 -4.975 -1.047 235 HG21 THR 42 3HG2 THR 42 12.156 -4.843 -0.158 236 HG22 THR 42 1HG2 THR 42 11.845 -6.110 1.049 237 HG23 THR 42 2HG2 THR 42 12.085 -4.420 1.556 238 H VAL 43 H VAL 43 9.720 -5.777 4.370 239 HA VAL 43 HA VAL 43 9.294 -3.206 5.545 240 HB VAL 43 HB VAL 43 10.224 -5.880 6.545 241 HG11 VAL 43 1HG1 VAL 43 10.342 -5.024 8.886 242 HG12 VAL 43 2HG1 VAL 43 11.709 -4.484 7.900 243 HG13 VAL 43 3HG1 VAL 43 10.371 -3.372 8.250 244 HG21 VAL 43 3HG2 VAL 43 8.066 -3.905 7.427 245 HG22 VAL 43 1HG2 VAL 43 7.828 -5.209 6.258 246 HG23 VAL 43 2HG2 VAL 43 8.216 -5.606 7.937 247 H ALA 44 H ALA 44 12.343 -4.815 4.626 248 HA ALA 44 HA ALA 44 14.211 -3.550 6.154 249 HB1 ALA 44 1HB ALA 44 15.782 -4.080 4.296 250 HB2 ALA 44 2HB ALA 44 14.619 -5.396 4.543 251 HB3 ALA 44 3HB ALA 44 14.408 -4.279 3.191 252 H THR 45 H THR 45 12.895 -2.215 3.153 253 HA THR 45 HA THR 45 14.259 0.415 3.612 254 HB THR 45 HB THR 45 14.055 0.634 1.078 255 HG1 THR 45 1HG THR 45 14.149 -2.158 0.955 256 HG21 THR 45 3HG2 THR 45 15.907 -1.521 2.195 257 HG22 THR 45 1HG2 THR 45 16.202 0.230 2.201 258 HG23 THR 45 2HG2 THR 45 16.117 -0.641 0.666 259 H GLY 46 H GLY 46 11.342 -0.931 4.024 260 HA2 GLY 46 2HA GLY 46 9.332 0.035 4.531 261 HA3 GLY 46 3HA GLY 46 10.029 1.621 4.172 262 H ARG 47 H ARG 47 9.537 -1.230 2.054 263 HA ARG 47 HA ARG 47 7.787 0.442 0.300 264 HB3 ARG 47 2HB ARG 47 8.518 -1.047 -1.571 265 HG3 ARG 47 2HG ARG 47 11.066 0.185 -0.616 266 HD3 ARG 47 2HD ARG 47 10.920 1.273 -2.845 267 HE ARG 47 HE ARG 47 11.063 -1.566 -2.585 268 HH11 ARG 47 1HH1 ARG 47 10.507 0.849 -5.138 269 HH12 ARG 47 2HH1 ARG 47 11.298 -0.158 -6.333 270 HH21 ARG 47 1HH2 ARG 47 11.955 -2.818 -4.214 271 HH22 ARG 47 2HH2 ARG 47 11.928 -2.257 -5.861 272 H LEU 48 H LEU 48 6.337 -0.706 -1.075 273 HA LEU 48 HA LEU 48 5.143 -3.224 0.000 274 HB3 LEU 48 2HB LEU 48 2.902 -2.022 -0.721 275 HG LEU 48 HG LEU 48 4.397 -1.141 1.782 276 HD11 LEU 48 1HD1 LEU 48 2.201 -0.254 2.507 277 HD12 LEU 48 2HD1 LEU 48 1.525 -0.682 0.909 278 HD13 LEU 48 3HD1 LEU 48 2.770 0.579 1.047 279 HD21 LEU 48 3HD2 LEU 48 3.670 -3.572 1.612 280 HD22 LEU 48 1HD2 LEU 48 2.013 -3.027 1.368 281 HD23 LEU 48 2HD2 LEU 48 2.857 -2.689 2.903 282 H THR 49 H THR 49 3.811 -4.267 -1.483 283 HA THR 49 HA THR 49 3.939 -3.614 -4.377 284 HB THR 49 HB THR 49 4.170 -6.457 -3.302 285 HG1 THR 49 1HG THR 49 6.122 -5.468 -3.117 286 HG21 THR 49 3HG2 THR 49 4.542 -7.034 -5.682 287 HG22 THR 49 1HG2 THR 49 4.287 -5.337 -6.151 288 HG23 THR 49 2HG2 THR 49 2.957 -6.298 -5.475 289 H VAL 50 H VAL 50 1.942 -3.768 -5.265 290 HA VAL 50 HA VAL 50 -0.259 -5.178 -3.888 291 HB VAL 50 HB VAL 50 -0.191 -2.994 -2.756 292 HG11 VAL 50 1HG1 VAL 50 -0.741 -1.720 -5.471 293 HG12 VAL 50 2HG1 VAL 50 -0.693 -0.909 -3.898 294 HG13 VAL 50 3HG1 VAL 50 0.787 -1.608 -4.569 295 HG21 VAL 50 3HG2 VAL 50 -2.369 -4.117 -3.062 296 HG22 VAL 50 1HG2 VAL 50 -2.537 -2.355 -3.070 297 HG23 VAL 50 2HG2 VAL 50 -2.618 -3.249 -4.590 298 H THR 51 H THR 51 -1.903 -5.777 -5.201 299 HA THR 51 HA THR 51 -1.820 -5.015 -8.091 300 HB THR 51 HB THR 51 -2.604 -7.681 -6.830 301 HG1 THR 51 1HG THR 51 -0.766 -8.232 -8.318 302 HG21 THR 51 3HG2 THR 51 -3.974 -7.128 -8.885 303 HG22 THR 51 1HG2 THR 51 -2.846 -8.451 -9.179 304 HG23 THR 51 2HG2 THR 51 -2.483 -6.819 -9.781 305 H TYR 52 H TYR 52 -3.414 -3.765 -8.570 306 HA TYR 52 HA TYR 52 -6.192 -4.348 -7.794 307 HB3 TYR 52 2HB TYR 52 -5.660 -2.905 -6.034 308 HD1 TYR 52 1HD TYR 52 -4.505 -0.914 -9.103 309 HD2 TYR 52 2HD TYR 52 -4.352 -1.461 -4.821 310 HE1 TYR 52 1HE TYR 52 -2.816 0.869 -8.930 311 HE2 TYR 52 2HE TYR 52 -2.670 0.359 -4.665 312 HH TYR 52 HH TYR 52 -1.639 2.239 -7.541 313 H ASP 53 H ASP 53 -7.665 -2.576 -9.052 314 HA ASP 53 HA ASP 53 -6.696 -2.452 -11.849 315 HB3 ASP 53 2HB ASP 53 -9.464 -2.121 -10.651 316 HA PRO 54 HA PRO 54 -5.963 1.805 -10.407 317 HB3 PRO 54 2HB PRO 54 -3.737 1.337 -10.940 318 HG3 PRO 54 2HG PRO 54 -3.148 0.199 -12.959 319 HD3 PRO 54 2HD PRO 54 -4.510 -1.243 -11.725 320 H LYS 55 H LYS 55 -8.118 0.924 -12.470 321 HA LYS 55 HA LYS 55 -8.723 3.746 -13.226 322 HB3 LYS 55 2HB LYS 55 -9.753 3.053 -15.348 323 HG3 LYS 55 2HG LYS 55 -6.859 2.133 -15.329 324 HD3 LYS 55 2HD LYS 55 -8.169 2.055 -17.522 325 HE3 LYS 55 2HE LYS 55 -8.097 5.070 -17.039 326 HZ1 LYS 55 3HZ LYS 55 -8.730 3.644 -19.559 327 HZ2 LYS 55 1HZ LYS 55 -7.395 4.583 -19.309 328 HZ3 LYS 55 2HZ LYS 55 -8.879 5.263 -19.310 329 H GLN 56 H GLN 56 -9.993 0.508 -12.396 330 HA GLN 56 HA GLN 56 -12.653 1.699 -11.813 331 HB3 GLN 56 2HB GLN 56 -13.225 -0.492 -10.901 332 HG3 GLN 56 2HG GLN 56 -13.187 -1.860 -12.837 333 HE21 GLN 56 1HE2 GLN 56 -15.012 0.153 -12.494 334 HE22 GLN 56 2HE2 GLN 56 -15.167 1.088 -13.971 335 H VAL 57 H VAL 57 -9.653 1.149 -9.995 336 HA VAL 57 HA VAL 57 -10.790 2.971 -7.965 337 HB VAL 57 HB VAL 57 -9.604 1.890 -6.123 338 HG11 VAL 57 1HG1 VAL 57 -11.594 -0.009 -7.438 339 HG12 VAL 57 2HG1 VAL 57 -11.143 0.030 -5.730 340 HG13 VAL 57 3HG1 VAL 57 -11.997 1.410 -6.444 341 HG21 VAL 57 3HG2 VAL 57 -9.155 -0.508 -7.969 342 HG22 VAL 57 1HG2 VAL 57 -7.879 0.598 -7.414 343 HG23 VAL 57 2HG2 VAL 57 -8.754 -0.401 -6.247 344 H SER 58 H SER 58 -8.338 3.350 -6.494 345 HA SER 58 HA SER 58 -6.141 3.619 -8.411 346 HB3 SER 58 2HB SER 58 -7.668 5.689 -8.679 347 HG SER 58 HG SER 58 -7.661 7.165 -7.104 348 H GLU 59 H GLU 59 -4.300 4.892 -7.196 349 HA GLU 59 HA GLU 59 -3.414 3.654 -4.888 350 HB3 GLU 59 2HB GLU 59 -2.037 5.033 -6.370 351 HG3 GLU 59 2HG GLU 59 -3.061 7.494 -4.900 352 H ILE 60 H ILE 60 -5.947 6.038 -5.021 353 HA ILE 60 HA ILE 60 -6.036 6.982 -2.325 354 HB ILE 60 HB ILE 60 -8.030 6.488 -4.530 355 HG13 ILE 60 2HG1 ILE 60 -8.284 8.890 -4.549 356 HG21 ILE 60 1HG2 ILE 60 -9.421 5.925 -2.766 357 HG22 ILE 60 2HG2 ILE 60 -8.848 7.289 -1.753 358 HG23 ILE 60 3HG2 ILE 60 -9.818 7.575 -3.221 359 HD11 ILE 60 3HD1 ILE 60 -6.951 10.428 -3.239 360 HD12 ILE 60 1HD1 ILE 60 -7.928 9.451 -2.136 361 HD13 ILE 60 2HD1 ILE 60 -6.194 9.111 -2.342 362 H THR 61 H THR 61 -7.188 3.854 -3.638 363 HA THR 61 HA THR 61 -8.661 3.037 -1.313 364 HB THR 61 HB THR 61 -7.316 1.480 -3.541 365 HG1 THR 61 1HG THR 61 -9.178 2.772 -3.992 366 HG21 THR 61 3HG2 THR 61 -7.460 -0.082 -1.641 367 HG22 THR 61 1HG2 THR 61 -8.731 -0.441 -2.812 368 HG23 THR 61 2HG2 THR 61 -9.132 0.435 -1.315 369 H ILE 62 H ILE 62 -5.266 2.476 -2.147 370 HA ILE 62 HA ILE 62 -4.671 1.198 0.457 371 HB ILE 62 HB ILE 62 -3.663 0.374 -1.603 372 HG13 ILE 62 2HG1 ILE 62 -2.504 0.193 0.611 373 HG21 ILE 62 1HG2 ILE 62 -3.490 2.404 -2.940 374 HG22 ILE 62 2HG2 ILE 62 -2.274 3.079 -1.829 375 HG23 ILE 62 3HG2 ILE 62 -1.908 1.656 -2.818 376 HD11 ILE 62 3HD1 ILE 62 -1.588 -0.951 -1.478 377 HD12 ILE 62 1HD1 ILE 62 -0.447 0.409 -1.629 378 HD13 ILE 62 2HD1 ILE 62 -0.425 -0.637 -0.193 379 H GLN 63 H GLN 63 -4.243 4.426 -0.988 380 HA GLN 63 HA GLN 63 -2.580 5.532 0.998 381 HB3 GLN 63 2HB GLN 63 -4.823 6.994 -0.457 382 HG3 GLN 63 2HG GLN 63 -2.093 7.905 0.560 383 HE21 GLN 63 1HE2 GLN 63 -4.863 10.057 0.179 384 HE22 GLN 63 2HE2 GLN 63 -4.247 10.851 -1.262 385 H GLU 64 H GLU 64 -6.233 5.565 0.964 386 HA GLU 64 HA GLU 64 -6.342 6.952 3.470 387 HB3 GLU 64 2HB GLU 64 -8.730 6.107 3.533 388 HG3 GLU 64 2HG GLU 64 -8.035 7.342 0.853 389 H ARG 65 H ARG 65 -5.587 3.602 2.998 390 HA ARG 65 HA ARG 65 -6.298 2.914 5.796 391 HB3 ARG 65 2HB ARG 65 -4.516 1.224 4.029 392 HG3 ARG 65 2HG ARG 65 -5.824 -0.635 4.985 393 HD3 ARG 65 2HD ARG 65 -4.939 1.182 7.255 394 HE ARG 65 HE ARG 65 -4.502 -1.685 7.456 395 HH11 ARG 65 1HH1 ARG 65 -6.819 0.854 8.445 396 HH12 ARG 65 2HH1 ARG 65 -6.958 0.147 10.024 397 HH21 ARG 65 1HH2 ARG 65 -4.986 -2.642 9.317 398 HH22 ARG 65 2HH2 ARG 65 -5.870 -1.764 10.542 399 H ILE 66 H ILE 66 -3.381 3.610 3.837 400 HA ILE 66 HA ILE 66 -1.527 3.294 6.081 401 HB ILE 66 HB ILE 66 -1.271 4.385 3.251 402 HG13 ILE 66 2HG1 ILE 66 -1.790 1.909 3.617 403 HG21 ILE 66 1HG2 ILE 66 1.177 4.255 3.552 404 HG22 ILE 66 2HG2 ILE 66 0.483 5.429 4.652 405 HG23 ILE 66 3HG2 ILE 66 0.952 3.814 5.259 406 HD11 ILE 66 3HD1 ILE 66 -0.447 2.683 1.647 407 HD12 ILE 66 1HD1 ILE 66 1.021 2.207 2.542 408 HD13 ILE 66 2HD1 ILE 66 -0.215 0.996 2.142 409 H ALA 67 H ALA 67 -2.984 6.135 4.521 410 HA ALA 67 HA ALA 67 -1.792 8.168 6.104 411 HB1 ALA 67 1HB ALA 67 -3.718 9.480 5.252 412 HB2 ALA 67 2HB ALA 67 -2.990 8.504 3.966 413 HB3 ALA 67 3HB ALA 67 -4.517 7.994 4.724 414 H ALA 68 H ALA 68 -4.323 5.846 6.909 415 HA ALA 68 HA ALA 68 -5.307 7.392 9.227 416 HB1 ALA 68 1HB ALA 68 -6.048 4.627 8.187 417 HB2 ALA 68 2HB ALA 68 -6.889 5.563 9.442 418 HB3 ALA 68 3HB ALA 68 -6.858 6.153 7.771 419 H LEU 69 H LEU 69 -3.507 4.343 8.657 420 HA LEU 69 HA LEU 69 -2.940 3.544 11.305 421 HB3 LEU 69 2HB LEU 69 -0.839 2.574 10.212 422 HG LEU 69 HG LEU 69 -3.531 1.974 8.925 423 HD11 LEU 69 1HD1 LEU 69 -1.670 1.315 7.448 424 HD12 LEU 69 2HD1 LEU 69 -2.395 -0.124 8.182 425 HD13 LEU 69 3HD1 LEU 69 -0.863 0.506 8.811 426 HD21 LEU 69 3HD2 LEU 69 -1.967 0.555 11.125 427 HD22 LEU 69 1HD2 LEU 69 -3.462 -0.036 10.376 428 HD23 LEU 69 2HD2 LEU 69 -3.492 1.441 11.336 429 H GLY 70 H GLY 70 -1.585 6.276 9.612 430 HA2 GLY 70 2HA GLY 70 -0.799 8.051 11.154 431 HA3 GLY 70 3HA GLY 70 0.264 6.852 11.914 432 H TYR 71 H TYR 71 0.052 6.651 8.438 433 HA TYR 71 HA TYR 71 2.813 7.805 8.246 434 HB3 TYR 71 2HB TYR 71 3.193 5.994 6.618 435 HD1 TYR 71 1HD TYR 71 4.421 6.168 9.058 436 HD2 TYR 71 2HD TYR 71 1.016 3.709 8.118 437 HE1 TYR 71 1HE TYR 71 4.947 4.705 11.006 438 HE2 TYR 71 2HE TYR 71 1.520 2.262 10.061 439 HH TYR 71 HH TYR 71 2.943 1.862 11.827 440 H THR 72 H THR 72 3.289 7.796 5.647 441 HA THR 72 HA THR 72 1.087 9.114 4.151 442 HB THR 72 HB THR 72 2.748 10.596 3.024 443 HG1 THR 72 1HG THR 72 4.539 10.192 5.143 444 HG21 THR 72 3HG2 THR 72 1.393 11.496 4.885 445 HG22 THR 72 1HG2 THR 72 2.986 12.260 4.774 446 HG23 THR 72 2HG2 THR 72 2.671 11.052 6.036 447 H LEU 73 H LEU 73 1.673 9.044 1.704 448 HA LEU 73 HA LEU 73 3.021 6.433 1.100 449 HB3 LEU 73 2HB LEU 73 0.700 7.645 -0.449 450 HG LEU 73 HG LEU 73 1.900 5.684 -1.509 451 HD11 LEU 73 1HD1 LEU 73 2.670 4.382 0.357 452 HD12 LEU 73 2HD1 LEU 73 1.368 3.415 -0.350 453 HD13 LEU 73 3HD1 LEU 73 1.063 4.369 1.106 454 HD21 LEU 73 3HD2 LEU 73 -0.509 6.141 -1.923 455 HD22 LEU 73 1HD2 LEU 73 -0.931 5.084 -0.557 456 HD23 LEU 73 2HD2 LEU 73 -0.128 4.414 -1.992 457 H ALA 74 H ALA 74 4.308 6.244 -0.732 458 HA ALA 74 HA ALA 74 4.572 8.594 -2.554 459 HB1 ALA 74 1HB ALA 74 7.035 8.413 -2.327 460 HB2 ALA 74 2HB ALA 74 6.245 8.826 -0.789 461 HB3 ALA 74 3HB ALA 74 6.818 7.175 -1.072 462 H GLU 75 H GLU 75 3.287 7.247 -3.984 463 HA GLU 75 HA GLU 75 4.784 5.197 -5.504 464 HB3 GLU 75 2HB GLU 75 2.151 6.510 -6.264 465 HG3 GLU 75 2HG GLU 75 1.656 4.192 -7.094 466 HA PRO 76 HA PRO 76 6.791 8.909 -6.373 467 HB3 PRO 76 2HB PRO 76 8.651 7.622 -5.919 468 HG3 PRO 76 2HG PRO 76 8.980 5.492 -6.973 469 HD3 PRO 76 2HD PRO 76 6.914 5.436 -5.840 Start of MODEL 23 1 H2 PRO 6 2H PRO 6 -6.951 -3.125 -16.777 2 HA PRO 6 HA PRO 6 -8.804 -4.927 -15.374 3 HB3 PRO 6 2HB PRO 6 -7.973 -6.769 -16.527 4 HG3 PRO 6 2HG PRO 6 -8.786 -5.940 -18.533 5 HD3 PRO 6 2HD PRO 6 -9.636 -3.989 -17.625 6 H LEU 7 H LEU 7 -7.164 -6.570 -13.977 7 HA LEU 7 HA LEU 7 -5.909 -4.733 -12.179 8 HB3 LEU 7 2HB LEU 7 -7.239 -6.580 -11.413 9 HG LEU 7 HG LEU 7 -6.136 -8.302 -13.185 10 HD11 LEU 7 1HD1 LEU 7 -4.604 -8.852 -10.611 11 HD12 LEU 7 2HD1 LEU 7 -3.860 -8.193 -12.084 12 HD13 LEU 7 3HD1 LEU 7 -4.562 -9.820 -12.091 13 HD21 LEU 7 3HD2 LEU 7 -8.107 -8.754 -11.784 14 HD22 LEU 7 1HD2 LEU 7 -7.065 -9.038 -10.373 15 HD23 LEU 7 2HD2 LEU 7 -7.006 -10.141 -11.770 16 H LYS 8 H LYS 8 -3.845 -4.566 -11.516 17 HA LYS 8 HA LYS 8 -1.604 -5.605 -13.125 18 HB3 LYS 8 2HB LYS 8 -2.397 -3.848 -14.579 19 HG3 LYS 8 2HG LYS 8 -2.810 -2.275 -12.043 20 HD3 LYS 8 2HD LYS 8 -2.949 -0.201 -13.401 21 HE3 LYS 8 2HE LYS 8 -0.102 -1.296 -13.337 22 HZ1 LYS 8 3HZ LYS 8 -1.280 1.359 -12.717 23 HZ2 LYS 8 1HZ LYS 8 -0.303 1.032 -14.010 24 HZ3 LYS 8 2HZ LYS 8 0.287 0.946 -12.491 25 H THR 9 H THR 9 0.467 -5.140 -12.312 26 HA THR 9 HA THR 9 0.587 -4.751 -9.431 27 HB THR 9 HB THR 9 2.913 -4.930 -11.373 28 HG1 THR 9 1HG THR 9 2.803 -7.089 -11.123 29 HG21 THR 9 3HG2 THR 9 3.936 -6.128 -9.360 30 HG22 THR 9 1HG2 THR 9 2.537 -5.591 -8.414 31 HG23 THR 9 2HG2 THR 9 3.661 -4.401 -9.127 32 H GLN 10 H GLN 10 1.619 -3.094 -8.293 33 HA GLN 10 HA GLN 10 2.858 -0.853 -9.704 34 HB3 GLN 10 2HB GLN 10 0.806 -0.271 -7.546 35 HG3 GLN 10 2HG GLN 10 2.475 1.516 -8.302 36 HE21 GLN 10 1HE2 GLN 10 2.234 3.590 -9.983 37 HE22 GLN 10 2HE2 GLN 10 2.096 3.057 -11.658 38 H GLN 11 H GLN 11 4.518 0.054 -8.430 39 HA GLN 11 HA GLN 11 4.802 -0.894 -5.627 40 HB3 GLN 11 2HB GLN 11 7.014 -0.478 -7.679 41 HG3 GLN 11 2HG GLN 11 7.134 -1.698 -4.887 42 HE21 GLN 11 1HE2 GLN 11 9.120 -2.611 -4.231 43 HE22 GLN 11 2HE2 GLN 11 10.427 -2.910 -5.366 44 H MET 12 H MET 12 5.610 0.576 -4.105 45 HA MET 12 HA MET 12 6.127 3.381 -4.893 46 HB3 MET 12 2HB MET 12 3.722 3.350 -4.603 47 HG3 MET 12 2HG MET 12 2.915 2.890 -2.129 48 HE1 MET 12 3HE MET 12 1.815 2.412 -5.190 49 HE2 MET 12 1HE MET 12 0.620 1.170 -4.791 50 HE3 MET 12 2HE MET 12 0.840 2.554 -3.703 51 H GLN 13 H GLN 13 6.775 4.707 -3.062 52 HA GLN 13 HA GLN 13 8.230 3.273 -0.912 53 HB3 GLN 13 2HB GLN 13 8.672 5.709 -0.180 54 HG3 GLN 13 2HG GLN 13 9.782 4.975 -2.917 55 HE21 GLN 13 1HE2 GLN 13 9.694 7.408 -3.304 56 HE22 GLN 13 2HE2 GLN 13 10.836 8.432 -2.415 57 H VAL 14 H VAL 14 7.520 3.380 1.232 58 HA VAL 14 HA VAL 14 4.984 4.788 1.856 59 HB VAL 14 HB VAL 14 5.461 1.794 2.021 60 HG11 VAL 14 1HG1 VAL 14 3.347 1.642 3.356 61 HG12 VAL 14 2HG1 VAL 14 4.622 2.460 4.263 62 HG13 VAL 14 3HG1 VAL 14 3.338 3.414 3.509 63 HG21 VAL 14 3HG2 VAL 14 3.274 3.513 0.830 64 HG22 VAL 14 1HG2 VAL 14 4.457 2.490 -0.005 65 HG23 VAL 14 2HG2 VAL 14 3.203 1.739 0.974 66 H GLY 15 H GLY 15 5.527 6.092 3.383 67 HA2 GLY 15 2HA GLY 15 8.109 5.836 4.726 68 HA3 GLY 15 3HA GLY 15 7.034 7.247 4.729 69 H GLY 16 H GLY 16 8.490 5.248 6.699 70 HA2 GLY 16 2HA GLY 16 8.268 5.235 9.056 71 HA3 GLY 16 3HA GLY 16 6.532 5.589 8.910 72 H MET 17 H MET 17 6.994 3.180 6.720 73 HA MET 17 HA MET 17 5.813 1.168 8.419 74 HB3 MET 17 2HB MET 17 6.853 1.101 5.563 75 HG3 MET 17 2HG MET 17 5.348 -0.998 7.168 76 HE1 MET 17 3HE MET 17 5.705 -1.190 2.566 77 HE2 MET 17 1HE MET 17 6.356 0.171 3.496 78 HE3 MET 17 2HE MET 17 7.056 -1.456 3.686 79 H ARG 18 H ARG 18 6.816 0.021 9.866 80 HA ARG 18 HA ARG 18 9.463 -1.209 9.308 81 HB3 ARG 18 2HB ARG 18 10.100 -0.766 11.666 82 HG3 ARG 18 2HG ARG 18 9.395 1.820 10.220 83 HD3 ARG 18 2HD ARG 18 11.534 2.617 11.200 84 HE ARG 18 HE ARG 18 10.210 1.708 13.624 85 HH11 ARG 18 1HH1 ARG 18 9.818 4.075 10.990 86 HH12 ARG 18 2HH1 ARG 18 8.695 5.028 11.941 87 HH21 ARG 18 1HH2 ARG 18 9.048 3.112 14.834 88 HH22 ARG 18 2HH2 ARG 18 8.465 4.612 14.163 89 H CYS 19 H CYS 19 9.869 -2.849 11.246 90 HA CYS 19 HA CYS 19 8.241 -5.044 10.587 91 HB3 CYS 19 2HB CYS 19 10.176 -4.669 12.923 92 HG CYS 19 HG CYS 19 9.606 -7.392 11.122 93 H ALA 20 H ALA 20 8.261 -3.279 13.704 94 HA ALA 20 HA ALA 20 7.141 -5.180 15.245 95 HB1 ALA 20 1HB ALA 20 6.739 -2.173 15.543 96 HB2 ALA 20 2HB ALA 20 6.626 -3.372 16.849 97 HB3 ALA 20 3HB ALA 20 8.174 -3.094 16.031 98 H ALA 21 H ALA 21 5.077 -2.811 13.519 99 HA ALA 21 HA ALA 21 2.752 -4.648 13.859 100 HB1 ALA 21 1HB ALA 21 2.765 -1.715 14.725 101 HB2 ALA 21 2HB ALA 21 1.357 -2.799 14.728 102 HB3 ALA 21 3HB ALA 21 2.721 -3.115 15.817 103 H CYS 22 H CYS 22 4.056 -1.736 12.213 104 HA CYS 22 HA CYS 22 1.877 -1.188 10.550 105 HB3 CYS 22 2HB CYS 22 4.850 -0.959 9.860 106 HG CYS 22 HG CYS 22 2.423 1.165 9.146 107 H ALA 23 H ALA 23 4.625 -3.296 9.663 108 HA ALA 23 HA ALA 23 3.793 -4.343 7.270 109 HB1 ALA 23 1HB ALA 23 5.163 -5.724 9.637 110 HB2 ALA 23 2HB ALA 23 5.243 -6.272 7.955 111 HB3 ALA 23 3HB ALA 23 5.955 -4.711 8.413 112 H SER 24 H SER 24 2.135 -4.930 10.298 113 HA SER 24 HA SER 24 0.612 -7.249 9.119 114 HB3 SER 24 2HB SER 24 -0.244 -7.590 11.371 115 HG SER 24 HG SER 24 2.596 -7.286 11.521 116 H SER 25 H SER 25 0.087 -4.101 10.837 117 HA SER 25 HA SER 25 -2.727 -4.145 10.503 118 HB3 SER 25 2HB SER 25 -2.726 -1.901 11.340 119 HG SER 25 HG SER 25 -1.039 -2.059 13.032 120 H ILE 26 H ILE 26 -0.236 -2.970 8.314 121 HA ILE 26 HA ILE 26 -2.212 -1.916 6.360 122 HB ILE 26 HB ILE 26 0.787 -2.285 6.378 123 HG13 ILE 26 2HG1 ILE 26 -0.929 0.074 5.481 124 HG21 ILE 26 1HG2 ILE 26 0.878 -1.576 4.003 125 HG22 ILE 26 2HG2 ILE 26 0.252 -3.202 4.199 126 HG23 ILE 26 3HG2 ILE 26 -0.871 -1.859 3.861 127 HD11 ILE 26 3HD1 ILE 26 -0.039 1.249 7.488 128 HD12 ILE 26 1HD1 ILE 26 -1.242 0.001 7.880 129 HD13 ILE 26 2HD1 ILE 26 0.492 -0.323 8.137 130 H GLU 27 H GLU 27 -0.099 -4.834 6.563 131 HA GLU 27 HA GLU 27 -1.021 -5.702 4.025 132 HB3 GLU 27 2HB GLU 27 0.370 -7.476 6.056 133 HG3 GLU 27 2HG GLU 27 0.571 -7.194 3.017 134 H ARG 28 H ARG 28 -2.109 -6.663 7.315 135 HA ARG 28 HA ARG 28 -3.652 -8.915 6.431 136 HB3 ARG 28 2HB ARG 28 -4.160 -7.149 8.862 137 HG3 ARG 28 2HG ARG 28 -4.708 -10.102 8.288 138 HD3 ARG 28 2HD ARG 28 -5.402 -8.407 10.717 139 HE ARG 28 HE ARG 28 -6.271 -11.083 9.813 140 HH11 ARG 28 1HH1 ARG 28 -6.361 -8.824 12.568 141 HH12 ARG 28 2HH1 ARG 28 -7.377 -9.938 13.465 142 HH21 ARG 28 1HH2 ARG 28 -7.647 -12.255 10.946 143 HH22 ARG 28 2HH2 ARG 28 -8.153 -11.775 12.561 144 H ALA 29 H ALA 29 -4.451 -5.447 6.608 145 HA ALA 29 HA ALA 29 -7.259 -5.895 5.790 146 HB1 ALA 29 1HB ALA 29 -6.798 -4.073 7.331 147 HB2 ALA 29 2HB ALA 29 -5.612 -3.370 6.195 148 HB3 ALA 29 3HB ALA 29 -7.341 -3.419 5.775 149 H LEU 30 H LEU 30 -4.177 -5.161 4.171 150 HA LEU 30 HA LEU 30 -5.173 -3.837 1.948 151 HB3 LEU 30 2HB LEU 30 -2.781 -5.704 2.061 152 HG LEU 30 HG LEU 30 -2.999 -4.967 -0.230 153 HD11 LEU 30 1HD1 LEU 30 -4.571 -3.114 -0.088 154 HD12 LEU 30 2HD1 LEU 30 -3.093 -2.537 -0.843 155 HD13 LEU 30 3HD1 LEU 30 -3.419 -2.148 0.863 156 HD21 LEU 30 3HD2 LEU 30 -1.069 -3.126 1.261 157 HD22 LEU 30 1HD2 LEU 30 -0.962 -3.589 -0.446 158 HD23 LEU 30 2HD2 LEU 30 -0.745 -4.817 0.819 159 H GLU 31 H GLU 31 -5.301 -7.311 2.493 160 HA GLU 31 HA GLU 31 -6.236 -7.945 -0.207 161 HB3 GLU 31 2HB GLU 31 -4.950 -9.592 0.984 162 HG3 GLU 31 2HG GLU 31 -7.166 -9.627 3.086 163 H ARG 32 H ARG 32 -7.753 -6.497 2.451 164 HA ARG 32 HA ARG 32 -10.442 -7.525 1.746 165 HB3 ARG 32 2HB ARG 32 -11.189 -6.432 3.831 166 HG3 ARG 32 2HG ARG 32 -10.071 -7.745 5.519 167 HD3 ARG 32 2HD ARG 32 -10.079 -9.422 2.988 168 HE ARG 32 HE ARG 32 -10.144 -10.077 5.811 169 HH11 ARG 32 1HH1 ARG 32 -11.169 -11.230 2.614 170 HH12 ARG 32 2HH1 ARG 32 -11.247 -12.874 3.168 171 HH21 ARG 32 1HH2 ARG 32 -10.426 -12.211 6.446 172 HH22 ARG 32 2HH2 ARG 32 -11.109 -13.381 5.319 173 H LEU 33 H LEU 33 -8.410 -4.750 1.299 174 HA LEU 33 HA LEU 33 -10.438 -2.747 1.030 175 HB3 LEU 33 2HB LEU 33 -8.786 -1.407 -0.070 176 HG LEU 33 HG LEU 33 -7.151 -3.083 1.835 177 HD11 LEU 33 1HD1 LEU 33 -6.978 -0.132 1.161 178 HD12 LEU 33 2HD1 LEU 33 -6.008 -1.382 0.373 179 HD13 LEU 33 3HD1 LEU 33 -5.824 -1.099 2.110 180 HD21 LEU 33 3HD2 LEU 33 -9.059 -0.822 2.533 181 HD22 LEU 33 1HD2 LEU 33 -7.821 -1.476 3.630 182 HD23 LEU 33 2HD2 LEU 33 -9.152 -2.504 3.090 183 H LYS 34 H LYS 34 -11.391 -1.797 -0.725 184 HA LYS 34 HA LYS 34 -12.572 -3.368 -2.667 185 HB3 LYS 34 2HB LYS 34 -11.901 -0.396 -2.781 186 HG3 LYS 34 2HG LYS 34 -14.186 -1.935 -4.088 187 HD3 LYS 34 2HD LYS 34 -13.406 1.006 -4.182 188 HE3 LYS 34 2HE LYS 34 -15.397 -0.637 -5.817 189 HZ1 LYS 34 3HZ LYS 34 -16.299 1.511 -5.336 190 HZ2 LYS 34 1HZ LYS 34 -15.813 1.491 -6.908 191 HZ3 LYS 34 2HZ LYS 34 -14.897 2.277 -5.800 192 H GLY 35 H GLY 35 -11.913 -4.389 -4.464 193 HA2 GLY 35 2HA GLY 35 -11.054 -4.657 -6.579 194 HA3 GLY 35 3HA GLY 35 -10.338 -3.032 -6.469 195 H VAL 36 H VAL 36 -8.984 -4.505 -3.858 196 HA VAL 36 HA VAL 36 -6.486 -4.922 -5.303 197 HB VAL 36 HB VAL 36 -7.086 -5.294 -2.349 198 HG11 VAL 36 1HG1 VAL 36 -4.434 -5.140 -3.871 199 HG12 VAL 36 2HG1 VAL 36 -4.575 -5.050 -2.111 200 HG13 VAL 36 3HG1 VAL 36 -5.045 -6.532 -2.947 201 HG21 VAL 36 3HG2 VAL 36 -5.867 -2.940 -3.873 202 HG22 VAL 36 1HG2 VAL 36 -7.435 -2.954 -3.036 203 HG23 VAL 36 2HG2 VAL 36 -5.941 -3.081 -2.106 204 H ALA 37 H ALA 37 -5.586 -6.727 -5.935 205 HA ALA 37 HA ALA 37 -6.996 -9.328 -5.542 206 HB1 ALA 37 1HB ALA 37 -5.009 -8.366 -7.651 207 HB2 ALA 37 2HB ALA 37 -5.861 -9.922 -7.655 208 HB3 ALA 37 3HB ALA 37 -6.777 -8.414 -7.826 209 H GLU 38 H GLU 38 -3.702 -7.933 -5.215 210 HA GLU 38 HA GLU 38 -2.929 -9.726 -3.224 211 HB3 GLU 38 2HB GLU 38 -2.784 -11.570 -4.671 212 HG3 GLU 38 2HG GLU 38 -1.068 -9.900 -6.556 213 H ALA 39 H ALA 39 -1.097 -9.184 -2.153 214 HA ALA 39 HA ALA 39 0.776 -7.161 -3.193 215 HB1 ALA 39 1HB ALA 39 -1.270 -6.492 -1.031 216 HB2 ALA 39 2HB ALA 39 -0.043 -5.402 -1.728 217 HB3 ALA 39 3HB ALA 39 -1.404 -5.975 -2.719 218 H SER 40 H SER 40 2.452 -6.596 -1.682 219 HA SER 40 HA SER 40 2.529 -7.953 0.929 220 HB3 SER 40 2HB SER 40 4.681 -9.065 0.537 221 HG SER 40 HG SER 40 3.012 -10.471 0.199 222 H VAL 41 H VAL 41 3.824 -6.956 2.417 223 HA VAL 41 HA VAL 41 5.029 -4.369 1.718 224 HB VAL 41 HB VAL 41 5.458 -4.073 4.094 225 HG11 VAL 41 1HG1 VAL 41 3.179 -3.629 3.253 226 HG12 VAL 41 2HG1 VAL 41 2.699 -5.289 3.652 227 HG13 VAL 41 3HG1 VAL 41 3.166 -4.163 4.940 228 HG21 VAL 41 3HG2 VAL 41 6.223 -6.222 4.825 229 HG22 VAL 41 1HG2 VAL 41 4.797 -5.777 5.761 230 HG23 VAL 41 2HG2 VAL 41 4.660 -6.975 4.473 231 H THR 42 H THR 42 7.182 -3.707 1.951 232 HA THR 42 HA THR 42 9.260 -5.792 2.537 233 HB THR 42 HB THR 42 9.369 -3.570 0.460 234 HG1 THR 42 1HG THR 42 8.419 -5.347 -0.322 235 HG21 THR 42 3HG2 THR 42 11.634 -4.529 -0.048 236 HG22 THR 42 1HG2 THR 42 11.552 -5.434 1.482 237 HG23 THR 42 2HG2 THR 42 11.568 -3.660 1.486 238 H VAL 43 H VAL 43 9.339 -5.302 4.681 239 HA VAL 43 HA VAL 43 9.425 -2.670 5.793 240 HB VAL 43 HB VAL 43 10.240 -5.407 6.778 241 HG11 VAL 43 1HG1 VAL 43 10.528 -4.483 9.062 242 HG12 VAL 43 2HG1 VAL 43 11.829 -4.022 7.970 243 HG13 VAL 43 3HG1 VAL 43 10.560 -2.844 8.370 244 HG21 VAL 43 3HG2 VAL 43 7.829 -4.782 6.597 245 HG22 VAL 43 1HG2 VAL 43 8.312 -5.006 8.286 246 HG23 VAL 43 2HG2 VAL 43 8.125 -3.366 7.626 247 H ALA 44 H ALA 44 12.005 -4.740 4.505 248 HA ALA 44 HA ALA 44 14.327 -3.744 5.508 249 HB1 ALA 44 1HB ALA 44 14.100 -5.602 3.891 250 HB2 ALA 44 2HB ALA 44 13.702 -4.452 2.594 251 HB3 ALA 44 3HB ALA 44 15.312 -4.436 3.326 252 H THR 45 H THR 45 12.437 -2.099 2.995 253 HA THR 45 HA THR 45 14.218 0.313 3.096 254 HB THR 45 HB THR 45 13.689 0.503 0.632 255 HG1 THR 45 1HG THR 45 13.086 -1.690 -0.221 256 HG21 THR 45 3HG2 THR 45 15.843 -0.473 1.505 257 HG22 THR 45 1HG2 THR 45 15.352 -1.066 -0.086 258 HG23 THR 45 2HG2 THR 45 15.120 -2.091 1.344 259 H GLY 46 H GLY 46 11.130 -0.716 3.826 260 HA2 GLY 46 2HA GLY 46 9.121 0.360 4.147 261 HA3 GLY 46 3HA GLY 46 9.956 1.912 3.961 262 H ARG 47 H ARG 47 9.348 -0.886 1.802 263 HA ARG 47 HA ARG 47 8.019 0.905 -0.181 264 HB3 ARG 47 2HB ARG 47 9.153 -0.242 -2.018 265 HG3 ARG 47 2HG ARG 47 11.149 0.839 0.004 266 HD3 ARG 47 2HD ARG 47 11.976 -0.496 -2.114 267 HE ARG 47 HE ARG 47 11.235 0.593 -4.039 268 HH11 ARG 47 1HH1 ARG 47 12.639 3.085 -1.878 269 HH12 ARG 47 2HH1 ARG 47 12.646 4.248 -3.185 270 HH21 ARG 47 1HH2 ARG 47 11.246 2.129 -5.548 271 HH22 ARG 47 2HH2 ARG 47 11.739 3.771 -5.190 272 H LEU 48 H LEU 48 6.651 -0.292 -1.701 273 HA LEU 48 HA LEU 48 5.535 -2.826 -0.603 274 HB3 LEU 48 2HB LEU 48 3.619 -0.552 -1.077 275 HG LEU 48 HG LEU 48 3.883 -2.619 1.152 276 HD11 LEU 48 1HD1 LEU 48 1.638 -1.748 1.842 277 HD12 LEU 48 2HD1 LEU 48 1.836 -0.436 0.659 278 HD13 LEU 48 3HD1 LEU 48 2.956 -0.577 2.033 279 HD21 LEU 48 3HD2 LEU 48 3.005 -3.751 -0.807 280 HD22 LEU 48 1HD2 LEU 48 1.884 -2.415 -1.155 281 HD23 LEU 48 2HD2 LEU 48 1.658 -3.457 0.268 282 H THR 49 H THR 49 4.349 -3.988 -2.056 283 HA THR 49 HA THR 49 4.058 -3.009 -4.871 284 HB THR 49 HB THR 49 4.915 -5.811 -4.029 285 HG1 THR 49 1HG THR 49 6.822 -5.096 -4.265 286 HG21 THR 49 3HG2 THR 49 4.535 -4.541 -6.778 287 HG22 THR 49 1HG2 THR 49 3.548 -5.852 -6.082 288 HG23 THR 49 2HG2 THR 49 5.245 -6.142 -6.476 289 H VAL 50 H VAL 50 2.052 -3.214 -5.567 290 HA VAL 50 HA VAL 50 0.100 -5.039 -4.220 291 HB VAL 50 HB VAL 50 -0.025 -2.894 -3.075 292 HG11 VAL 50 1HG1 VAL 50 -0.584 -1.615 -5.781 293 HG12 VAL 50 2HG1 VAL 50 -0.717 -0.811 -4.210 294 HG13 VAL 50 3HG1 VAL 50 0.858 -1.371 -4.780 295 HG21 VAL 50 3HG2 VAL 50 -2.457 -3.293 -4.869 296 HG22 VAL 50 1HG2 VAL 50 -2.159 -4.048 -3.300 297 HG23 VAL 50 2HG2 VAL 50 -2.409 -2.310 -3.404 298 H THR 51 H THR 51 -1.524 -5.853 -5.471 299 HA THR 51 HA THR 51 -1.611 -5.115 -8.365 300 HB THR 51 HB THR 51 -2.600 -7.693 -7.072 301 HG1 THR 51 1HG THR 51 -0.436 -7.541 -6.868 302 HG21 THR 51 3HG2 THR 51 -3.624 -7.090 -9.328 303 HG22 THR 51 1HG2 THR 51 -2.571 -8.511 -9.419 304 HG23 THR 51 2HG2 THR 51 -1.996 -6.938 -9.997 305 H TYR 52 H TYR 52 -3.353 -3.966 -8.984 306 HA TYR 52 HA TYR 52 -6.034 -4.501 -7.885 307 HB3 TYR 52 2HB TYR 52 -5.070 -2.908 -6.271 308 HD1 TYR 52 1HD TYR 52 -6.180 -0.378 -8.740 309 HD2 TYR 52 2HD TYR 52 -2.804 -2.019 -6.638 310 HE1 TYR 52 1HE TYR 52 -4.833 1.614 -9.357 311 HE2 TYR 52 2HE TYR 52 -1.475 0.012 -7.190 312 HH TYR 52 HH TYR 52 -2.815 2.693 -9.139 313 H ASP 53 H ASP 53 -7.734 -3.003 -8.966 314 HA ASP 53 HA ASP 53 -7.177 -2.831 -11.859 315 HB3 ASP 53 2HB ASP 53 -9.768 -2.855 -10.280 316 HA PRO 54 HA PRO 54 -6.651 1.484 -10.888 317 HB3 PRO 54 2HB PRO 54 -4.884 1.275 -12.376 318 HG3 PRO 54 2HG PRO 54 -5.158 0.166 -14.497 319 HD3 PRO 54 2HD PRO 54 -5.663 -1.376 -12.774 320 H LYS 55 H LYS 55 -9.431 0.407 -12.097 321 HA LYS 55 HA LYS 55 -10.524 3.165 -12.561 322 HB3 LYS 55 2HB LYS 55 -12.284 2.023 -14.054 323 HG3 LYS 55 2HG LYS 55 -9.478 2.334 -15.192 324 HD3 LYS 55 2HD LYS 55 -12.271 2.691 -16.391 325 HE3 LYS 55 2HE LYS 55 -10.892 2.949 -18.543 326 HZ1 LYS 55 3HZ LYS 55 -10.749 5.245 -16.664 327 HZ2 LYS 55 1HZ LYS 55 -12.063 4.834 -17.513 328 HZ3 LYS 55 2HZ LYS 55 -10.716 5.302 -18.317 329 H GLN 56 H GLN 56 -11.138 -0.139 -11.370 330 HA GLN 56 HA GLN 56 -13.475 0.617 -9.804 331 HB3 GLN 56 2HB GLN 56 -12.730 -1.364 -8.375 332 HG3 GLN 56 2HG GLN 56 -13.122 -1.701 -11.377 333 HE21 GLN 56 1HE2 GLN 56 -13.435 -3.584 -8.239 334 HE22 GLN 56 2HE2 GLN 56 -13.205 -5.121 -9.045 335 H VAL 57 H VAL 57 -9.910 0.836 -9.182 336 HA VAL 57 HA VAL 57 -10.475 2.899 -7.137 337 HB VAL 57 HB VAL 57 -8.863 1.930 -5.542 338 HG11 VAL 57 1HG1 VAL 57 -10.349 0.394 -4.480 339 HG12 VAL 57 2HG1 VAL 57 -11.333 1.617 -5.282 340 HG13 VAL 57 3HG1 VAL 57 -11.160 0.002 -6.010 341 HG21 VAL 57 3HG2 VAL 57 -7.594 0.425 -7.030 342 HG22 VAL 57 1HG2 VAL 57 -8.217 -0.433 -5.618 343 HG23 VAL 57 2HG2 VAL 57 -9.013 -0.634 -7.191 344 H SER 58 H SER 58 -8.168 3.799 -6.346 345 HA SER 58 HA SER 58 -6.105 3.372 -8.452 346 HB3 SER 58 2HB SER 58 -7.358 5.667 -8.668 347 HG SER 58 HG SER 58 -5.362 6.824 -7.251 348 H GLU 59 H GLU 59 -3.960 4.503 -7.494 349 HA GLU 59 HA GLU 59 -3.086 3.246 -5.159 350 HB3 GLU 59 2HB GLU 59 -1.605 4.179 -6.832 351 HG3 GLU 59 2HG GLU 59 -0.882 6.531 -6.763 352 H ILE 60 H ILE 60 -5.341 5.839 -5.253 353 HA ILE 60 HA ILE 60 -4.952 6.961 -2.625 354 HB ILE 60 HB ILE 60 -7.108 6.918 -4.696 355 HG13 ILE 60 2HG1 ILE 60 -6.012 9.070 -2.829 356 HG21 ILE 60 1HG2 ILE 60 -7.810 7.563 -1.811 357 HG22 ILE 60 2HG2 ILE 60 -8.792 7.949 -3.238 358 HG23 ILE 60 3HG2 ILE 60 -8.509 6.265 -2.819 359 HD11 ILE 60 3HD1 ILE 60 -4.915 10.024 -4.816 360 HD12 ILE 60 1HD1 ILE 60 -4.253 8.423 -4.472 361 HD13 ILE 60 2HD1 ILE 60 -5.434 8.644 -5.793 362 H THR 61 H THR 61 -6.624 3.967 -3.668 363 HA THR 61 HA THR 61 -7.969 3.526 -1.160 364 HB THR 61 HB THR 61 -7.282 1.795 -3.543 365 HG1 THR 61 1HG THR 61 -9.018 3.182 -3.697 366 HG21 THR 61 3HG2 THR 61 -7.180 0.159 -1.729 367 HG22 THR 61 1HG2 THR 61 -8.739 0.024 -2.547 368 HG23 THR 61 2HG2 THR 61 -8.638 0.853 -0.977 369 H ILE 62 H ILE 62 -4.776 2.474 -2.279 370 HA ILE 62 HA ILE 62 -4.186 1.148 0.288 371 HB ILE 62 HB ILE 62 -3.265 0.285 -1.784 372 HG13 ILE 62 2HG1 ILE 62 -2.162 -0.065 0.411 373 HG21 ILE 62 1HG2 ILE 62 -2.930 2.337 -3.066 374 HG22 ILE 62 2HG2 ILE 62 -1.617 2.842 -1.973 375 HG23 ILE 62 3HG2 ILE 62 -1.448 1.408 -3.006 376 HD11 ILE 62 3HD1 ILE 62 -0.115 -0.982 -0.378 377 HD12 ILE 62 1HD1 ILE 62 -1.262 -1.155 -1.710 378 HD13 ILE 62 2HD1 ILE 62 -0.031 0.132 -1.753 379 H GLN 63 H GLN 63 -3.551 4.381 -1.103 380 HA GLN 63 HA GLN 63 -2.013 5.365 1.079 381 HB3 GLN 63 2HB GLN 63 -4.011 6.869 -0.639 382 HG3 GLN 63 2HG GLN 63 -1.494 7.882 0.744 383 HE21 GLN 63 1HE2 GLN 63 -4.643 9.144 -0.571 384 HE22 GLN 63 2HE2 GLN 63 -3.898 10.439 -1.487 385 H GLU 64 H GLU 64 -5.637 5.190 0.782 386 HA GLU 64 HA GLU 64 -6.312 6.480 3.219 387 HB3 GLU 64 2HB GLU 64 -8.290 4.823 3.203 388 HG3 GLU 64 2HG GLU 64 -9.371 5.565 1.144 389 H ARG 65 H ARG 65 -5.484 3.038 2.740 390 HA ARG 65 HA ARG 65 -5.792 2.264 5.509 391 HB3 ARG 65 2HB ARG 65 -4.488 1.087 3.024 392 HG3 ARG 65 2HG ARG 65 -3.218 -0.060 4.656 393 HD3 ARG 65 2HD ARG 65 -4.180 0.211 6.799 394 HE ARG 65 HE ARG 65 -6.725 0.026 5.714 395 HH11 ARG 65 1HH1 ARG 65 -5.088 -1.650 8.395 396 HH12 ARG 65 2HH1 ARG 65 -6.507 -1.482 9.409 397 HH21 ARG 65 1HH2 ARG 65 -8.473 0.022 6.987 398 HH22 ARG 65 2HH2 ARG 65 -8.424 -0.596 8.617 399 H ILE 66 H ILE 66 -2.944 3.289 3.607 400 HA ILE 66 HA ILE 66 -1.076 2.894 5.831 401 HB ILE 66 HB ILE 66 -0.964 4.445 3.216 402 HG13 ILE 66 2HG1 ILE 66 -1.096 1.826 3.263 403 HG21 ILE 66 1HG2 ILE 66 0.634 5.421 4.892 404 HG22 ILE 66 2HG2 ILE 66 1.356 3.798 5.077 405 HG23 ILE 66 3HG2 ILE 66 1.434 4.670 3.530 406 HD11 ILE 66 3HD1 ILE 66 1.333 3.101 1.976 407 HD12 ILE 66 1HD1 ILE 66 0.621 1.533 1.571 408 HD13 ILE 66 2HD1 ILE 66 -0.303 3.027 1.292 409 H ALA 67 H ALA 67 -2.774 5.782 4.562 410 HA ALA 67 HA ALA 67 -1.594 7.642 6.296 411 HB1 ALA 67 1HB ALA 67 -2.771 8.215 4.217 412 HB2 ALA 67 2HB ALA 67 -4.313 7.662 4.899 413 HB3 ALA 67 3HB ALA 67 -3.497 9.087 5.575 414 H ALA 68 H ALA 68 -4.550 5.671 6.764 415 HA ALA 68 HA ALA 68 -5.472 7.048 9.138 416 HB1 ALA 68 1HB ALA 68 -6.942 5.793 7.576 417 HB2 ALA 68 2HB ALA 68 -6.104 4.284 7.984 418 HB3 ALA 68 3HB ALA 68 -7.054 5.141 9.218 419 H LEU 69 H LEU 69 -3.445 4.173 8.593 420 HA LEU 69 HA LEU 69 -3.373 3.492 11.428 421 HB3 LEU 69 2HB LEU 69 -1.544 1.863 10.398 422 HG LEU 69 HG LEU 69 -3.310 0.335 9.565 423 HD11 LEU 69 1HD1 LEU 69 -2.672 0.475 11.977 424 HD12 LEU 69 2HD1 LEU 69 -4.346 -0.051 11.717 425 HD13 LEU 69 3HD1 LEU 69 -4.017 1.605 12.243 426 HD21 LEU 69 3HD2 LEU 69 -4.967 1.939 8.652 427 HD22 LEU 69 1HD2 LEU 69 -5.302 2.536 10.294 428 HD23 LEU 69 2HD2 LEU 69 -5.690 0.879 9.870 429 H GLY 70 H GLY 70 -1.819 5.998 9.940 430 HA2 GLY 70 2HA GLY 70 -0.602 7.488 11.358 431 HA3 GLY 70 3HA GLY 70 0.145 6.115 12.198 432 H TYR 71 H TYR 71 0.059 6.026 8.723 433 HA TYR 71 HA TYR 71 2.966 6.721 8.542 434 HB3 TYR 71 2HB TYR 71 3.177 4.790 7.072 435 HD1 TYR 71 1HD TYR 71 4.437 4.720 9.379 436 HD2 TYR 71 2HD TYR 71 0.479 3.140 8.787 437 HE1 TYR 71 1HE TYR 71 4.624 3.480 11.515 438 HE2 TYR 71 2HE TYR 71 0.685 1.840 10.910 439 HH TYR 71 HH TYR 71 3.585 2.050 12.986 440 H THR 72 H THR 72 3.426 6.656 5.879 441 HA THR 72 HA THR 72 1.418 8.339 4.465 442 HB THR 72 HB THR 72 3.333 9.888 3.749 443 HG1 THR 72 1HG THR 72 5.064 8.856 4.410 444 HG21 THR 72 3HG2 THR 72 1.656 10.732 5.274 445 HG22 THR 72 1HG2 THR 72 3.254 11.326 5.729 446 HG23 THR 72 2HG2 THR 72 2.497 10.026 6.672 447 H LEU 73 H LEU 73 2.168 8.714 2.116 448 HA LEU 73 HA LEU 73 3.709 6.395 1.034 449 HB3 LEU 73 2HB LEU 73 0.795 7.099 0.539 450 HG LEU 73 HG LEU 73 2.625 5.527 -1.295 451 HD11 LEU 73 1HD1 LEU 73 -0.284 4.842 -0.708 452 HD12 LEU 73 2HD1 LEU 73 1.143 3.806 -0.458 453 HD13 LEU 73 3HD1 LEU 73 0.647 4.238 -2.095 454 HD21 LEU 73 3HD2 LEU 73 1.727 7.723 -2.108 455 HD22 LEU 73 1HD2 LEU 73 0.079 7.175 -1.760 456 HD23 LEU 73 2HD2 LEU 73 1.037 6.387 -3.025 457 H ALA 74 H ALA 74 4.737 6.689 -0.886 458 HA ALA 74 HA ALA 74 4.116 9.081 -2.520 459 HB1 ALA 74 1HB ALA 74 6.522 9.575 -2.824 460 HB2 ALA 74 2HB ALA 74 6.016 9.768 -1.137 461 HB3 ALA 74 3HB ALA 74 6.929 8.326 -1.629 462 H GLU 75 H GLU 75 3.711 8.480 -4.546 463 HA GLU 75 HA GLU 75 4.789 5.905 -5.602 464 HB3 GLU 75 2HB GLU 75 1.946 6.964 -5.850 465 HG3 GLU 75 2HG GLU 75 1.441 4.635 -6.608 466 HA PRO 76 HA PRO 76 6.557 8.926 -8.053 467 HB3 PRO 76 2HB PRO 76 8.292 7.489 -8.253 468 HG3 PRO 76 2HG PRO 76 7.952 5.181 -8.673 469 HD3 PRO 76 2HD PRO 76 6.694 5.815 -6.759 Start of MODEL 24 1 H2 PRO 6 2H PRO 6 -6.986 -2.596 -17.210 2 HA PRO 6 HA PRO 6 -7.671 -5.260 -16.340 3 HB3 PRO 6 2HB PRO 6 -6.605 -6.359 -17.969 4 HG3 PRO 6 2HG PRO 6 -6.294 -5.144 -19.976 5 HD3 PRO 6 2HD PRO 6 -8.375 -4.431 -19.034 6 H LEU 7 H LEU 7 -6.447 -5.910 -14.530 7 HA LEU 7 HA LEU 7 -5.084 -3.917 -13.011 8 HB3 LEU 7 2HB LEU 7 -6.347 -5.620 -11.947 9 HG LEU 7 HG LEU 7 -5.998 -7.534 -13.573 10 HD11 LEU 7 1HD1 LEU 7 -3.376 -7.849 -12.063 11 HD12 LEU 7 2HD1 LEU 7 -3.607 -7.709 -13.820 12 HD13 LEU 7 3HD1 LEU 7 -4.158 -9.150 -12.982 13 HD21 LEU 7 3HD2 LEU 7 -7.123 -7.760 -11.368 14 HD22 LEU 7 1HD2 LEU 7 -5.551 -8.108 -10.615 15 HD23 LEU 7 2HD2 LEU 7 -6.241 -9.230 -11.806 16 H LYS 8 H LYS 8 -2.974 -4.188 -12.048 17 HA LYS 8 HA LYS 8 -0.812 -5.464 -13.444 18 HB3 LYS 8 2HB LYS 8 -1.124 -3.907 -15.190 19 HG3 LYS 8 2HG LYS 8 -1.302 -1.699 -13.094 20 HD3 LYS 8 2HD LYS 8 -1.099 -1.588 -16.133 21 HE3 LYS 8 2HE LYS 8 -2.049 0.499 -14.117 22 HZ1 LYS 8 3HZ LYS 8 -1.480 0.823 -17.017 23 HZ2 LYS 8 1HZ LYS 8 -0.646 1.507 -15.776 24 HZ3 LYS 8 2HZ LYS 8 -2.208 1.944 -16.047 25 H THR 9 H THR 9 1.246 -5.142 -12.475 26 HA THR 9 HA THR 9 1.054 -4.338 -9.647 27 HB THR 9 HB THR 9 2.040 -6.507 -10.308 28 HG1 THR 9 1HG THR 9 3.512 -6.317 -8.649 29 HG21 THR 9 3HG2 THR 9 3.481 -5.665 -12.218 30 HG22 THR 9 1HG2 THR 9 4.356 -6.620 -11.005 31 HG23 THR 9 2HG2 THR 9 4.509 -4.853 -11.020 32 H GLN 10 H GLN 10 2.763 -3.169 -8.563 33 HA GLN 10 HA GLN 10 4.300 -1.109 -9.897 34 HB3 GLN 10 2HB GLN 10 1.725 -0.369 -8.403 35 HG3 GLN 10 2HG GLN 10 3.369 1.389 -8.053 36 HE21 GLN 10 1HE2 GLN 10 5.312 2.293 -8.678 37 HE22 GLN 10 2HE2 GLN 10 5.877 2.355 -10.341 38 H GLN 11 H GLN 11 5.824 -0.293 -8.418 39 HA GLN 11 HA GLN 11 5.352 -0.872 -5.528 40 HB3 GLN 11 2HB GLN 11 7.326 -2.059 -6.482 41 HG3 GLN 11 2HG GLN 11 8.589 0.718 -6.566 42 HE21 GLN 11 1HE2 GLN 11 9.348 -2.360 -8.248 43 HE22 GLN 11 2HE2 GLN 11 10.917 -2.572 -7.448 44 H MET 12 H MET 12 6.150 0.675 -3.999 45 HA MET 12 HA MET 12 6.188 3.517 -4.870 46 HB3 MET 12 2HB MET 12 3.809 2.868 -4.526 47 HG3 MET 12 2HG MET 12 4.509 2.540 -1.565 48 HE1 MET 12 3HE MET 12 2.561 4.049 -0.777 49 HE2 MET 12 1HE MET 12 2.253 4.574 -2.448 50 HE3 MET 12 2HE MET 12 0.908 4.020 -1.433 51 H GLN 13 H GLN 13 6.671 5.006 -3.064 52 HA GLN 13 HA GLN 13 8.583 3.781 -1.135 53 HB3 GLN 13 2HB GLN 13 9.635 5.922 -1.003 54 HG3 GLN 13 2HG GLN 13 10.188 6.634 -3.277 55 HE21 GLN 13 1HE2 GLN 13 12.100 5.439 -2.472 56 HE22 GLN 13 2HE2 GLN 13 12.406 3.896 -3.252 57 H VAL 14 H VAL 14 8.439 4.533 1.116 58 HA VAL 14 HA VAL 14 5.884 5.639 2.033 59 HB VAL 14 HB VAL 14 6.449 2.686 2.056 60 HG11 VAL 14 1HG1 VAL 14 6.353 3.152 4.485 61 HG12 VAL 14 2HG1 VAL 14 4.826 4.037 4.262 62 HG13 VAL 14 3HG1 VAL 14 4.924 2.301 3.927 63 HG21 VAL 14 3HG2 VAL 14 4.760 3.428 0.525 64 HG22 VAL 14 1HG2 VAL 14 3.968 2.576 1.838 65 HG23 VAL 14 2HG2 VAL 14 3.926 4.349 1.799 66 H GLY 15 H GLY 15 5.882 6.315 4.129 67 HA2 GLY 15 2HA GLY 15 8.584 6.420 5.460 68 HA3 GLY 15 3HA GLY 15 7.445 7.763 5.404 69 H GLY 16 H GLY 16 8.556 5.215 7.231 70 HA2 GLY 16 2HA GLY 16 8.145 5.224 9.571 71 HA3 GLY 16 3HA GLY 16 6.449 5.667 9.305 72 H MET 17 H MET 17 7.394 3.053 7.207 73 HA MET 17 HA MET 17 5.947 1.187 9.010 74 HB3 MET 17 2HB MET 17 6.040 -0.330 6.966 75 HG3 MET 17 2HG MET 17 4.514 2.058 6.096 76 HE1 MET 17 3HE MET 17 3.477 -1.248 4.161 77 HE2 MET 17 1HE MET 17 3.689 0.498 3.944 78 HE3 MET 17 2HE MET 17 5.047 -0.500 4.519 79 H ARG 18 H ARG 18 6.606 -0.739 9.654 80 HA ARG 18 HA ARG 18 9.310 -1.809 9.170 81 HB3 ARG 18 2HB ARG 18 9.688 -2.079 11.603 82 HG3 ARG 18 2HG ARG 18 9.250 0.868 11.048 83 HD3 ARG 18 2HD ARG 18 11.231 -0.650 12.799 84 HE ARG 18 HE ARG 18 11.199 2.082 12.131 85 HH11 ARG 18 1HH1 ARG 18 11.278 0.066 15.023 86 HH12 ARG 18 2HH1 ARG 18 12.078 1.280 15.979 87 HH21 ARG 18 1HH2 ARG 18 11.978 3.733 13.507 88 HH22 ARG 18 2HH2 ARG 18 12.365 3.343 15.169 89 H CYS 19 H CYS 19 9.476 -3.948 10.529 90 HA CYS 19 HA CYS 19 7.453 -5.803 9.758 91 HB3 CYS 19 2HB CYS 19 9.537 -6.068 11.979 92 HG CYS 19 HG CYS 19 9.677 -8.609 11.410 93 H ALA 20 H ALA 20 8.144 -4.486 13.051 94 HA ALA 20 HA ALA 20 5.873 -5.696 14.289 95 HB1 ALA 20 1HB ALA 20 7.448 -3.200 15.070 96 HB2 ALA 20 2HB ALA 20 6.351 -4.113 16.127 97 HB3 ALA 20 3HB ALA 20 7.840 -4.872 15.530 98 H ALA 21 H ALA 21 3.836 -5.338 13.957 99 HA ALA 21 HA ALA 21 1.803 -4.441 13.617 100 HB1 ALA 21 1HB ALA 21 2.479 -2.755 15.318 101 HB2 ALA 21 2HB ALA 21 3.020 -1.672 14.020 102 HB3 ALA 21 3HB ALA 21 1.317 -2.137 14.131 103 H CYS 22 H CYS 22 3.947 -2.095 11.890 104 HA CYS 22 HA CYS 22 1.895 -1.321 10.182 105 HB3 CYS 22 2HB CYS 22 3.443 0.098 9.197 106 HG CYS 22 HG CYS 22 3.634 0.596 11.763 107 H ALA 23 H ALA 23 4.584 -3.452 9.258 108 HA ALA 23 HA ALA 23 3.734 -4.306 6.720 109 HB1 ALA 23 1HB ALA 23 5.377 -5.545 8.967 110 HB2 ALA 23 2HB ALA 23 5.304 -6.253 7.362 111 HB3 ALA 23 3HB ALA 23 5.976 -4.623 7.574 112 H SER 24 H SER 24 2.193 -5.036 9.730 113 HA SER 24 HA SER 24 0.808 -7.416 8.552 114 HB3 SER 24 2HB SER 24 -0.132 -7.779 10.736 115 HG SER 24 HG SER 24 1.636 -8.599 11.603 116 H SER 25 H SER 25 0.006 -4.264 10.240 117 HA SER 25 HA SER 25 -2.750 -4.451 9.846 118 HB3 SER 25 2HB SER 25 -2.908 -2.202 10.459 119 HG SER 25 HG SER 25 -1.653 -3.478 12.005 120 H ILE 26 H ILE 26 -0.402 -2.929 7.605 121 HA ILE 26 HA ILE 26 -2.333 -1.921 5.732 122 HB ILE 26 HB ILE 26 0.610 -2.483 5.758 123 HG13 ILE 26 2HG1 ILE 26 -1.035 -0.089 4.830 124 HG21 ILE 26 1HG2 ILE 26 -0.771 -1.965 3.103 125 HG22 ILE 26 2HG2 ILE 26 0.978 -1.978 3.430 126 HG23 ILE 26 3HG2 ILE 26 0.071 -3.467 3.569 127 HD11 ILE 26 3HD1 ILE 26 0.640 -0.460 7.356 128 HD12 ILE 26 1HD1 ILE 26 -0.026 1.078 6.778 129 HD13 ILE 26 2HD1 ILE 26 -1.121 -0.226 7.284 130 H GLU 27 H GLU 27 -1.118 -5.184 6.167 131 HA GLU 27 HA GLU 27 -2.318 -6.070 3.593 132 HB3 GLU 27 2HB GLU 27 -1.127 -8.209 4.129 133 HG3 GLU 27 2HG GLU 27 0.797 -5.851 4.006 134 H ARG 28 H ARG 28 -2.754 -6.410 7.115 135 HA ARG 28 HA ARG 28 -4.803 -8.439 7.002 136 HB3 ARG 28 2HB ARG 28 -4.277 -6.231 9.046 137 HG3 ARG 28 2HG ARG 28 -5.874 -8.826 9.203 138 HD3 ARG 28 2HD ARG 28 -4.885 -7.007 11.446 139 HE ARG 28 HE ARG 28 -6.769 -7.807 12.464 140 HH11 ARG 28 1HH1 ARG 28 -5.342 -10.571 10.734 141 HH12 ARG 28 2HH1 ARG 28 -6.455 -11.690 11.487 142 HH21 ARG 28 1HH2 ARG 28 -7.953 -9.411 13.559 143 HH22 ARG 28 2HH2 ARG 28 -7.897 -11.061 12.957 144 H ALA 29 H ALA 29 -4.858 -4.857 6.876 145 HA ALA 29 HA ALA 29 -7.703 -4.637 6.407 146 HB1 ALA 29 1HB ALA 29 -5.408 -2.700 5.869 147 HB2 ALA 29 2HB ALA 29 -7.145 -2.298 5.902 148 HB3 ALA 29 3HB ALA 29 -6.329 -2.838 7.378 149 H LEU 30 H LEU 30 -4.926 -5.066 4.187 150 HA LEU 30 HA LEU 30 -5.904 -4.276 1.718 151 HB3 LEU 30 2HB LEU 30 -4.429 -6.852 2.440 152 HG LEU 30 HG LEU 30 -3.299 -6.887 0.391 153 HD11 LEU 30 1HD1 LEU 30 -4.787 -7.860 -1.121 154 HD12 LEU 30 2HD1 LEU 30 -6.189 -7.040 -0.445 155 HD13 LEU 30 3HD1 LEU 30 -5.333 -8.293 0.502 156 HD21 LEU 30 3HD2 LEU 30 -3.959 -5.569 -1.547 157 HD22 LEU 30 1HD2 LEU 30 -3.396 -4.539 -0.232 158 HD23 LEU 30 2HD2 LEU 30 -5.142 -4.671 -0.559 159 H GLU 31 H GLU 31 -6.462 -7.555 3.096 160 HA GLU 31 HA GLU 31 -8.135 -8.173 0.877 161 HB3 GLU 31 2HB GLU 31 -6.794 -9.906 1.958 162 HG3 GLU 31 2HG GLU 31 -8.612 -9.460 4.352 163 H ARG 32 H ARG 32 -8.833 -6.457 3.794 164 HA ARG 32 HA ARG 32 -11.493 -7.439 4.261 165 HB3 ARG 32 2HB ARG 32 -9.917 -5.150 5.546 166 HG3 ARG 32 2HG ARG 32 -12.243 -6.873 6.376 167 HD3 ARG 32 2HD ARG 32 -10.654 -6.686 8.290 168 HE ARG 32 HE ARG 32 -10.630 -3.852 7.654 169 HH11 ARG 32 1HH1 ARG 32 -10.715 -5.972 10.528 170 HH12 ARG 32 2HH1 ARG 32 -10.005 -4.751 11.540 171 HH21 ARG 32 1HH2 ARG 32 -9.545 -2.394 9.052 172 HH22 ARG 32 2HH2 ARG 32 -9.332 -2.827 10.725 173 H LEU 33 H LEU 33 -9.954 -4.541 2.821 174 HA LEU 33 HA LEU 33 -12.590 -3.335 2.332 175 HB3 LEU 33 2HB LEU 33 -10.987 -1.841 3.087 176 HG LEU 33 HG LEU 33 -8.814 -2.714 2.346 177 HD11 LEU 33 1HD1 LEU 33 -7.992 -2.179 0.046 178 HD12 LEU 33 2HD1 LEU 33 -9.670 -1.835 -0.434 179 HD13 LEU 33 3HD1 LEU 33 -9.205 -3.472 0.074 180 HD21 LEU 33 3HD2 LEU 33 -9.496 0.088 1.365 181 HD22 LEU 33 1HD2 LEU 33 -7.865 -0.511 1.697 182 HD23 LEU 33 2HD2 LEU 33 -9.034 -0.376 3.020 183 H LYS 34 H LYS 34 -11.262 -5.791 0.789 184 HA LYS 34 HA LYS 34 -12.143 -7.008 -0.871 185 HB3 LYS 34 2HB LYS 34 -14.273 -6.424 -1.823 186 HG3 LYS 34 2HG LYS 34 -14.235 -5.359 1.033 187 HD3 LYS 34 2HD LYS 34 -16.519 -6.574 -0.579 188 HE3 LYS 34 2HE LYS 34 -17.880 -5.489 1.255 189 HZ1 LYS 34 3HZ LYS 34 -17.517 -7.179 2.856 190 HZ2 LYS 34 1HZ LYS 34 -15.996 -7.539 2.293 191 HZ3 LYS 34 2HZ LYS 34 -17.311 -7.853 1.386 192 H GLY 35 H GLY 35 -11.435 -3.721 -1.969 193 HA2 GLY 35 2HA GLY 35 -11.810 -4.346 -4.767 194 HA3 GLY 35 3HA GLY 35 -11.241 -2.814 -4.088 195 H VAL 36 H VAL 36 -9.113 -5.304 -3.097 196 HA VAL 36 HA VAL 36 -7.214 -4.486 -5.265 197 HB VAL 36 HB VAL 36 -6.476 -5.283 -2.439 198 HG11 VAL 36 1HG1 VAL 36 -4.381 -3.974 -3.092 199 HG12 VAL 36 2HG1 VAL 36 -4.617 -5.507 -3.937 200 HG13 VAL 36 3HG1 VAL 36 -4.993 -3.966 -4.750 201 HG21 VAL 36 3HG2 VAL 36 -7.825 -3.245 -2.254 202 HG22 VAL 36 1HG2 VAL 36 -6.128 -2.865 -1.997 203 HG23 VAL 36 2HG2 VAL 36 -6.886 -2.475 -3.558 204 H ALA 37 H ALA 37 -5.931 -5.975 -6.256 205 HA ALA 37 HA ALA 37 -6.817 -8.763 -6.134 206 HB1 ALA 37 1HB ALA 37 -6.543 -7.505 -8.255 207 HB2 ALA 37 2HB ALA 37 -4.806 -7.338 -7.923 208 HB3 ALA 37 3HB ALA 37 -5.500 -8.943 -8.203 209 H GLU 38 H GLU 38 -3.775 -7.014 -5.267 210 HA GLU 38 HA GLU 38 -2.884 -9.171 -3.623 211 HB3 GLU 38 2HB GLU 38 -1.254 -8.707 -6.141 212 HG3 GLU 38 2HG GLU 38 -0.945 -10.722 -3.895 213 H ALA 39 H ALA 39 -1.216 -8.416 -2.201 214 HA ALA 39 HA ALA 39 0.413 -6.157 -3.059 215 HB1 ALA 39 1HB ALA 39 -0.180 -4.634 -1.276 216 HB2 ALA 39 2HB ALA 39 -1.677 -5.099 -2.124 217 HB3 ALA 39 3HB ALA 39 -1.282 -5.837 -0.553 218 H SER 40 H SER 40 2.250 -5.761 -1.697 219 HA SER 40 HA SER 40 2.741 -7.618 0.547 220 HB3 SER 40 2HB SER 40 4.474 -7.732 -1.934 221 HG SER 40 HG SER 40 5.510 -9.314 -0.847 222 H VAL 41 H VAL 41 3.664 -6.407 2.089 223 HA VAL 41 HA VAL 41 5.075 -3.930 1.625 224 HB VAL 41 HB VAL 41 3.921 -4.573 3.750 225 HG11 VAL 41 1HG1 VAL 41 4.788 -6.081 5.295 226 HG12 VAL 41 2HG1 VAL 41 4.922 -6.952 3.780 227 HG13 VAL 41 3HG1 VAL 41 6.364 -6.210 4.479 228 HG21 VAL 41 3HG2 VAL 41 5.578 -2.709 3.658 229 HG22 VAL 41 1HG2 VAL 41 5.398 -3.461 5.252 230 HG23 VAL 41 2HG2 VAL 41 6.819 -3.827 4.264 231 H THR 42 H THR 42 7.322 -3.454 1.895 232 HA THR 42 HA THR 42 9.266 -5.739 1.807 233 HB THR 42 HB THR 42 9.550 -3.056 0.391 234 HG1 THR 42 1HG THR 42 9.524 -4.488 -1.452 235 HG21 THR 42 3HG2 THR 42 11.583 -4.099 -0.573 236 HG22 THR 42 1HG2 THR 42 11.338 -5.538 0.444 237 HG23 THR 42 2HG2 THR 42 11.720 -3.966 1.179 238 H VAL 43 H VAL 43 9.535 -5.746 4.001 239 HA VAL 43 HA VAL 43 9.581 -3.433 5.659 240 HB VAL 43 HB VAL 43 10.449 -6.303 6.035 241 HG11 VAL 43 1HG1 VAL 43 10.701 -4.163 8.193 242 HG12 VAL 43 2HG1 VAL 43 10.822 -5.925 8.425 243 HG13 VAL 43 3HG1 VAL 43 12.042 -5.097 7.482 244 HG21 VAL 43 3HG2 VAL 43 8.353 -4.519 7.367 245 HG22 VAL 43 1HG2 VAL 43 8.025 -5.642 6.039 246 HG23 VAL 43 2HG2 VAL 43 8.537 -6.273 7.612 247 H ALA 44 H ALA 44 12.315 -5.213 4.184 248 HA ALA 44 HA ALA 44 14.487 -4.186 5.511 249 HB1 ALA 44 1HB ALA 44 15.690 -4.513 3.303 250 HB2 ALA 44 2HB ALA 44 14.667 -5.882 3.771 251 HB3 ALA 44 3HB ALA 44 14.117 -4.739 2.523 252 H THR 45 H THR 45 12.766 -2.495 2.885 253 HA THR 45 HA THR 45 14.465 -0.067 3.269 254 HB THR 45 HB THR 45 13.590 0.482 0.972 255 HG1 THR 45 1HG THR 45 12.808 -1.505 -0.136 256 HG21 THR 45 3HG2 THR 45 15.058 -1.093 -0.206 257 HG22 THR 45 1HG2 THR 45 15.080 -2.175 1.196 258 HG23 THR 45 2HG2 THR 45 15.818 -0.561 1.299 259 H GLY 46 H GLY 46 11.497 -1.145 4.378 260 HA2 GLY 46 2HA GLY 46 9.513 -0.162 4.960 261 HA3 GLY 46 3HA GLY 46 10.370 1.390 4.947 262 H ARG 47 H ARG 47 9.606 -0.923 2.312 263 HA ARG 47 HA ARG 47 8.101 1.223 0.845 264 HB3 ARG 47 2HB ARG 47 9.066 0.383 -1.240 265 HG3 ARG 47 2HG ARG 47 11.258 1.085 0.724 266 HD3 ARG 47 2HD ARG 47 11.134 1.777 -2.223 267 HE ARG 47 HE ARG 47 12.793 2.846 -0.505 268 HH11 ARG 47 1HH1 ARG 47 13.620 0.072 -2.598 269 HH12 ARG 47 2HH1 ARG 47 15.325 0.417 -2.481 270 HH21 ARG 47 1HH2 ARG 47 15.032 3.126 -0.377 271 HH22 ARG 47 2HH2 ARG 47 16.072 2.015 -1.240 272 H LEU 48 H LEU 48 7.031 -0.047 -1.229 273 HA LEU 48 HA LEU 48 5.559 -2.449 -0.277 274 HB3 LEU 48 2HB LEU 48 3.698 -0.439 -1.279 275 HG LEU 48 HG LEU 48 3.964 -1.629 1.509 276 HD11 LEU 48 1HD1 LEU 48 2.831 0.536 1.568 277 HD12 LEU 48 2HD1 LEU 48 1.610 -0.735 1.728 278 HD13 LEU 48 3HD1 LEU 48 1.825 0.088 0.175 279 HD21 LEU 48 3HD2 LEU 48 2.070 -2.283 -0.811 280 HD22 LEU 48 1HD2 LEU 48 1.983 -2.975 0.827 281 HD23 LEU 48 2HD2 LEU 48 3.369 -3.319 -0.206 282 H THR 49 H THR 49 4.432 -3.562 -1.884 283 HA THR 49 HA THR 49 4.468 -2.582 -4.702 284 HB THR 49 HB THR 49 4.937 -5.505 -4.092 285 HG1 THR 49 1HG THR 49 6.777 -4.796 -3.382 286 HG21 THR 49 3HG2 THR 49 4.174 -4.890 -6.387 287 HG22 THR 49 1HG2 THR 49 5.829 -5.508 -6.391 288 HG23 THR 49 2HG2 THR 49 5.547 -3.763 -6.531 289 H VAL 50 H VAL 50 2.612 -3.046 -5.812 290 HA VAL 50 HA VAL 50 0.481 -4.661 -4.531 291 HB VAL 50 HB VAL 50 0.283 -2.493 -3.454 292 HG11 VAL 50 1HG1 VAL 50 1.303 -1.015 -5.148 293 HG12 VAL 50 2HG1 VAL 50 -0.110 -1.237 -6.201 294 HG13 VAL 50 3HG1 VAL 50 -0.283 -0.432 -4.635 295 HG21 VAL 50 3HG2 VAL 50 -2.064 -1.958 -3.956 296 HG22 VAL 50 1HG2 VAL 50 -1.984 -2.928 -5.437 297 HG23 VAL 50 2HG2 VAL 50 -1.797 -3.701 -3.859 298 H THR 51 H THR 51 -0.957 -5.526 -5.865 299 HA THR 51 HA THR 51 -1.068 -4.744 -8.756 300 HB THR 51 HB THR 51 -2.046 -7.325 -7.465 301 HG1 THR 51 1HG THR 51 0.268 -7.168 -7.576 302 HG21 THR 51 3HG2 THR 51 -3.272 -6.663 -9.574 303 HG22 THR 51 1HG2 THR 51 -2.258 -8.087 -9.825 304 HG23 THR 51 2HG2 THR 51 -1.723 -6.503 -10.410 305 H TYR 52 H TYR 52 -2.797 -3.537 -9.215 306 HA TYR 52 HA TYR 52 -5.387 -4.186 -7.969 307 HB3 TYR 52 2HB TYR 52 -4.548 -2.406 -6.543 308 HD1 TYR 52 2HD TYR 52 -5.716 -0.307 -9.416 309 HD2 TYR 52 1HD TYR 52 -2.511 -1.163 -6.675 310 HE1 TYR 52 2HE TYR 52 -4.595 1.822 -10.058 311 HE2 TYR 52 1HE TYR 52 -1.399 0.972 -7.292 312 HH TYR 52 HH TYR 52 -1.572 2.918 -8.467 313 H ASP 53 H ASP 53 -7.226 -3.492 -9.111 314 HA ASP 53 HA ASP 53 -6.877 -3.164 -11.999 315 HB3 ASP 53 2HB ASP 53 -9.365 -3.518 -10.311 316 HA PRO 54 HA PRO 54 -7.065 1.238 -11.002 317 HB3 PRO 54 2HB PRO 54 -5.227 1.353 -12.422 318 HG3 PRO 54 2HG PRO 54 -5.169 0.139 -14.497 319 HD3 PRO 54 2HD PRO 54 -5.426 -1.418 -12.758 320 H LYS 55 H LYS 55 -9.490 -0.426 -12.142 321 HA LYS 55 HA LYS 55 -11.147 1.928 -12.997 322 HB3 LYS 55 2HB LYS 55 -12.384 0.498 -14.493 323 HG3 LYS 55 2HG LYS 55 -9.412 0.016 -15.037 324 HD3 LYS 55 2HD LYS 55 -11.813 0.356 -16.849 325 HE3 LYS 55 2HE LYS 55 -8.842 0.235 -17.552 326 HZ1 LYS 55 3HZ LYS 55 -9.659 0.667 -19.795 327 HZ2 LYS 55 1HZ LYS 55 -11.228 0.589 -19.287 328 HZ3 LYS 55 2HZ LYS 55 -10.268 -0.744 -19.252 329 H GLN 56 H GLN 56 -11.204 -1.336 -11.467 330 HA GLN 56 HA GLN 56 -13.545 -0.856 -9.858 331 HB3 GLN 56 2HB GLN 56 -12.536 -2.586 -8.328 332 HG3 GLN 56 2HG GLN 56 -12.279 -4.461 -9.983 333 HE21 GLN 56 1HE2 GLN 56 -14.208 -5.409 -11.200 334 HE22 GLN 56 2HE2 GLN 56 -15.770 -4.926 -10.508 335 H VAL 57 H VAL 57 -10.060 -0.031 -9.275 336 HA VAL 57 HA VAL 57 -10.956 1.939 -7.233 337 HB VAL 57 HB VAL 57 -9.268 1.274 -5.625 338 HG11 VAL 57 1HG1 VAL 57 -11.549 0.372 -5.378 339 HG12 VAL 57 2HG1 VAL 57 -11.066 -1.102 -6.251 340 HG13 VAL 57 3HG1 VAL 57 -10.319 -0.704 -4.701 341 HG21 VAL 57 3HG2 VAL 57 -7.620 0.147 -7.121 342 HG22 VAL 57 1HG2 VAL 57 -8.067 -0.874 -5.750 343 HG23 VAL 57 2HG2 VAL 57 -8.754 -1.198 -7.353 344 H SER 58 H SER 58 -8.463 2.811 -6.337 345 HA SER 58 HA SER 58 -6.671 3.258 -8.604 346 HB3 SER 58 2HB SER 58 -8.523 5.110 -8.552 347 HG SER 58 HG SER 58 -7.953 6.858 -7.239 348 H GLU 59 H GLU 59 -4.789 4.731 -7.680 349 HA GLU 59 HA GLU 59 -3.367 3.670 -5.559 350 HB3 GLU 59 2HB GLU 59 -2.495 5.222 -7.200 351 HG3 GLU 59 2HG GLU 59 -4.035 7.388 -5.708 352 H ILE 60 H ILE 60 -6.191 5.694 -5.210 353 HA ILE 60 HA ILE 60 -5.914 6.691 -2.536 354 HB ILE 60 HB ILE 60 -8.170 6.039 -4.435 355 HG13 ILE 60 2HG1 ILE 60 -6.691 8.060 -4.670 356 HG21 ILE 60 1HG2 ILE 60 -9.846 6.964 -2.885 357 HG22 ILE 60 2HG2 ILE 60 -9.210 5.410 -2.393 358 HG23 ILE 60 3HG2 ILE 60 -8.646 6.902 -1.573 359 HD11 ILE 60 3HD1 ILE 60 -8.357 9.673 -5.119 360 HD12 ILE 60 1HD1 ILE 60 -9.093 8.102 -5.463 361 HD13 ILE 60 2HD1 ILE 60 -9.490 8.966 -3.954 362 H THR 61 H THR 61 -6.929 3.484 -3.718 363 HA THR 61 HA THR 61 -7.864 2.610 -1.091 364 HB THR 61 HB THR 61 -7.455 1.118 -3.706 365 HG1 THR 61 1HG THR 61 -9.735 2.223 -2.398 366 HG21 THR 61 3HG2 THR 61 -7.709 -0.557 -1.969 367 HG22 THR 61 1HG2 THR 61 -9.278 -0.376 -2.747 368 HG23 THR 61 2HG2 THR 61 -8.990 0.384 -1.170 369 H ILE 62 H ILE 62 -4.747 2.890 -2.322 370 HA ILE 62 HA ILE 62 -3.878 1.245 0.036 371 HB ILE 62 HB ILE 62 -3.016 0.431 -2.155 372 HG13 ILE 62 2HG1 ILE 62 -2.034 0.095 0.213 373 HG21 ILE 62 1HG2 ILE 62 -1.275 2.930 -2.071 374 HG22 ILE 62 2HG2 ILE 62 -1.097 1.565 -3.187 375 HG23 ILE 62 3HG2 ILE 62 -2.541 2.572 -3.271 376 HD11 ILE 62 3HD1 ILE 62 -1.385 -1.327 -1.735 377 HD12 ILE 62 1HD1 ILE 62 -0.038 -0.197 -2.056 378 HD13 ILE 62 2HD1 ILE 62 -0.115 -1.112 -0.532 379 H GLN 63 H GLN 63 -3.695 4.479 -1.421 380 HA GLN 63 HA GLN 63 -1.961 5.711 0.379 381 HB3 GLN 63 2HB GLN 63 -4.620 6.771 -0.678 382 HG3 GLN 63 2HG GLN 63 -2.580 8.787 -0.553 383 HE21 GLN 63 1HE2 GLN 63 -4.926 9.262 -1.519 384 HE22 GLN 63 2HE2 GLN 63 -5.977 10.115 -0.388 385 H GLU 64 H GLU 64 -5.524 5.326 0.936 386 HA GLU 64 HA GLU 64 -5.256 6.604 3.481 387 HB3 GLU 64 2HB GLU 64 -7.576 6.155 3.844 388 HG3 GLU 64 2HG GLU 64 -7.304 6.587 0.844 389 H ARG 65 H ARG 65 -5.181 3.130 2.632 390 HA ARG 65 HA ARG 65 -5.079 2.144 5.318 391 HB3 ARG 65 2HB ARG 65 -3.533 0.344 4.077 392 HG3 ARG 65 2HG ARG 65 -6.468 0.660 3.360 393 HD3 ARG 65 2HD ARG 65 -6.363 -1.847 3.408 394 HE ARG 65 HE ARG 65 -5.937 -0.561 1.246 395 HH11 ARG 65 1HH1 ARG 65 -3.396 -2.762 2.491 396 HH12 ARG 65 2HH1 ARG 65 -2.736 -2.956 0.899 397 HH21 ARG 65 1HH2 ARG 65 -5.099 -0.923 -0.674 398 HH22 ARG 65 2HH2 ARG 65 -3.760 -2.028 -0.921 399 H ILE 66 H ILE 66 -2.726 4.072 3.671 400 HA ILE 66 HA ILE 66 -0.616 3.281 5.670 401 HB ILE 66 HB ILE 66 -0.430 4.966 3.137 402 HG13 ILE 66 2HG1 ILE 66 -0.782 2.323 2.945 403 HG21 ILE 66 1HG2 ILE 66 1.711 3.909 5.042 404 HG22 ILE 66 2HG2 ILE 66 2.040 4.740 3.511 405 HG23 ILE 66 3HG2 ILE 66 1.252 5.619 4.819 406 HD11 ILE 66 3HD1 ILE 66 1.543 3.694 1.552 407 HD12 ILE 66 1HD1 ILE 66 0.777 2.170 1.079 408 HD13 ILE 66 2HD1 ILE 66 -0.157 3.670 1.019 409 H ALA 67 H ALA 67 -2.430 6.103 4.425 410 HA ALA 67 HA ALA 67 -1.235 7.968 6.264 411 HB1 ALA 67 1HB ALA 67 -2.150 8.566 4.042 412 HB2 ALA 67 2HB ALA 67 -3.788 8.139 4.589 413 HB3 ALA 67 3HB ALA 67 -2.931 9.505 5.330 414 H ALA 68 H ALA 68 -4.235 5.987 6.476 415 HA ALA 68 HA ALA 68 -5.208 7.330 8.885 416 HB1 ALA 68 1HB ALA 68 -6.704 6.261 7.208 417 HB2 ALA 68 2HB ALA 68 -6.013 4.673 7.619 418 HB3 ALA 68 3HB ALA 68 -6.905 5.592 8.836 419 H LEU 69 H LEU 69 -3.432 4.314 8.210 420 HA LEU 69 HA LEU 69 -3.416 3.347 10.921 421 HB3 LEU 69 2HB LEU 69 -1.527 1.891 9.898 422 HG LEU 69 HG LEU 69 -3.013 0.586 8.406 423 HD11 LEU 69 1HD1 LEU 69 -4.292 1.228 11.084 424 HD12 LEU 69 2HD1 LEU 69 -2.872 0.186 10.859 425 HD13 LEU 69 3HD1 LEU 69 -4.434 -0.272 10.157 426 HD21 LEU 69 3HD2 LEU 69 -4.511 2.460 7.603 427 HD22 LEU 69 1HD2 LEU 69 -5.278 2.456 9.202 428 HD23 LEU 69 2HD2 LEU 69 -5.360 1.016 8.175 429 H GLY 70 H GLY 70 -1.720 5.962 9.635 430 HA2 GLY 70 2HA GLY 70 -0.859 7.417 11.364 431 HA3 GLY 70 3HA GLY 70 -0.016 6.044 12.101 432 H TYR 71 H TYR 71 0.262 6.123 8.667 433 HA TYR 71 HA TYR 71 3.084 7.062 8.917 434 HB3 TYR 71 2HB TYR 71 3.668 5.237 7.473 435 HD1 TYR 71 2HD TYR 71 4.063 5.134 10.217 436 HD2 TYR 71 1HD TYR 71 1.001 3.068 7.991 437 HE1 TYR 71 2HE TYR 71 3.760 3.546 12.105 438 HE2 TYR 71 1HE TYR 71 0.718 1.464 9.868 439 HH TYR 71 HH TYR 71 1.288 0.934 12.019 440 H THR 72 H THR 72 3.771 6.920 6.176 441 HA THR 72 HA THR 72 1.919 8.617 4.655 442 HB THR 72 HB THR 72 3.275 10.225 6.013 443 HG1 THR 72 1HG THR 72 2.665 11.246 4.339 444 HG21 THR 72 3HG2 THR 72 5.453 9.098 6.100 445 HG22 THR 72 1HG2 THR 72 5.596 10.693 5.355 446 HG23 THR 72 2HG2 THR 72 5.629 9.247 4.335 447 H LEU 73 H LEU 73 3.165 9.209 2.468 448 HA LEU 73 HA LEU 73 4.548 6.880 1.326 449 HB3 LEU 73 2HB LEU 73 2.188 6.142 1.491 450 HG LEU 73 HG LEU 73 1.628 8.598 -0.241 451 HD11 LEU 73 1HD1 LEU 73 0.968 6.700 -1.577 452 HD12 LEU 73 2HD1 LEU 73 -0.477 7.479 -0.927 453 HD13 LEU 73 3HD1 LEU 73 0.121 5.965 -0.200 454 HD21 LEU 73 3HD2 LEU 73 0.071 7.316 2.056 455 HD22 LEU 73 1HD2 LEU 73 -0.420 8.750 1.127 456 HD23 LEU 73 2HD2 LEU 73 1.003 8.829 2.148 457 H ALA 74 H ALA 74 5.009 7.017 -0.927 458 HA ALA 74 HA ALA 74 4.092 9.298 -2.475 459 HB1 ALA 74 1HB ALA 74 6.346 9.972 -3.261 460 HB2 ALA 74 2HB ALA 74 6.143 10.279 -1.524 461 HB3 ALA 74 3HB ALA 74 7.088 8.879 -2.075 462 H GLU 75 H GLU 75 3.431 8.482 -4.353 463 HA GLU 75 HA GLU 75 4.957 6.252 -5.635 464 HB3 GLU 75 2HB GLU 75 1.937 6.612 -5.829 465 HG3 GLU 75 2HG GLU 75 2.237 4.116 -6.445 466 HA PRO 76 HA PRO 76 5.031 9.913 -8.373 467 HB3 PRO 76 2HB PRO 76 7.103 10.376 -7.477 468 HG3 PRO 76 2HG PRO 76 8.646 8.654 -6.920 469 HD3 PRO 76 2HD PRO 76 6.744 8.030 -5.736 Start of MODEL 25 1 H2 PRO 6 2H PRO 6 -6.450 -3.225 -17.248 2 HA PRO 6 HA PRO 6 -8.318 -5.050 -15.975 3 HB3 PRO 6 2HB PRO 6 -7.525 -6.868 -17.017 4 HG3 PRO 6 2HG PRO 6 -7.012 -6.338 -19.249 5 HD3 PRO 6 2HD PRO 6 -8.611 -4.664 -18.643 6 H LEU 7 H LEU 7 -7.056 -6.218 -14.139 7 HA LEU 7 HA LEU 7 -5.688 -4.437 -12.461 8 HB3 LEU 7 2HB LEU 7 -6.845 -6.494 -11.721 9 HG LEU 7 HG LEU 7 -4.332 -7.993 -12.616 10 HD11 LEU 7 1HD1 LEU 7 -6.727 -8.891 -10.956 11 HD12 LEU 7 2HD1 LEU 7 -5.073 -8.627 -10.363 12 HD13 LEU 7 3HD1 LEU 7 -5.395 -9.932 -11.506 13 HD21 LEU 7 3HD2 LEU 7 -5.955 -9.529 -13.775 14 HD22 LEU 7 1HD2 LEU 7 -5.866 -7.933 -14.512 15 HD23 LEU 7 2HD2 LEU 7 -7.244 -8.348 -13.457 16 H LYS 8 H LYS 8 -3.630 -4.016 -11.962 17 HA LYS 8 HA LYS 8 -1.408 -5.216 -13.522 18 HB3 LYS 8 2HB LYS 8 -2.108 -3.333 -14.904 19 HG3 LYS 8 2HG LYS 8 -1.725 -1.661 -12.405 20 HD3 LYS 8 2HD LYS 8 -2.290 -0.595 -15.189 21 HE3 LYS 8 2HE LYS 8 -1.572 0.582 -12.458 22 HZ1 LYS 8 3HZ LYS 8 -2.023 2.096 -14.949 23 HZ2 LYS 8 1HZ LYS 8 -0.511 1.827 -14.286 24 HZ3 LYS 8 2HZ LYS 8 -1.665 2.691 -13.478 25 H THR 9 H THR 9 0.626 -4.994 -12.592 26 HA THR 9 HA THR 9 0.553 -4.734 -9.634 27 HB THR 9 HB THR 9 2.613 -5.993 -11.486 28 HG1 THR 9 1HG THR 9 0.548 -7.127 -9.887 29 HG21 THR 9 3HG2 THR 9 2.219 -6.168 -8.458 30 HG22 THR 9 1HG2 THR 9 3.637 -5.526 -9.322 31 HG23 THR 9 2HG2 THR 9 3.263 -7.249 -9.411 32 H GLN 10 H GLN 10 2.091 -3.486 -8.449 33 HA GLN 10 HA GLN 10 4.124 -1.951 -9.759 34 HB3 GLN 10 2HB GLN 10 2.132 -0.564 -10.381 35 HG3 GLN 10 2HG GLN 10 1.817 -0.155 -7.372 36 HE21 GLN 10 1HE2 GLN 10 -0.631 0.523 -9.823 37 HE22 GLN 10 2HE2 GLN 10 -0.438 2.280 -9.778 38 H GLN 11 H GLN 11 5.231 -0.524 -8.134 39 HA GLN 11 HA GLN 11 4.795 -1.311 -5.322 40 HB3 GLN 11 2HB GLN 11 6.410 -2.952 -6.128 41 HG3 GLN 11 2HG GLN 11 8.127 -0.579 -6.930 42 HE21 GLN 11 1HE2 GLN 11 10.344 -0.812 -6.664 43 HE22 GLN 11 2HE2 GLN 11 11.123 -2.341 -6.313 44 H MET 12 H MET 12 5.855 0.018 -3.762 45 HA MET 12 HA MET 12 6.803 2.675 -4.558 46 HB3 MET 12 2HB MET 12 4.380 2.870 -4.914 47 HG3 MET 12 2HG MET 12 2.981 3.036 -2.759 48 HE1 MET 12 3HE MET 12 1.144 0.804 -5.258 49 HE2 MET 12 1HE MET 12 1.311 2.402 -4.512 50 HE3 MET 12 2HE MET 12 2.522 1.828 -5.686 51 H GLN 13 H GLN 13 6.968 4.120 -2.581 52 HA GLN 13 HA GLN 13 8.218 2.567 -0.360 53 HB3 GLN 13 2HB GLN 13 9.166 5.013 0.047 54 HG3 GLN 13 2HG GLN 13 10.035 3.358 -2.360 55 HE21 GLN 13 1HE2 GLN 13 11.986 4.683 0.342 56 HE22 GLN 13 2HE2 GLN 13 12.776 5.916 -0.635 57 H VAL 14 H VAL 14 8.092 3.756 1.852 58 HA VAL 14 HA VAL 14 5.496 5.015 2.361 59 HB VAL 14 HB VAL 14 4.893 2.624 1.960 60 HG11 VAL 14 1HG1 VAL 14 6.491 1.960 4.417 61 HG12 VAL 14 2HG1 VAL 14 5.373 0.883 3.544 62 HG13 VAL 14 3HG1 VAL 14 6.829 1.456 2.747 63 HG21 VAL 14 3HG2 VAL 14 4.351 3.524 4.784 64 HG22 VAL 14 1HG2 VAL 14 3.503 4.066 3.326 65 HG23 VAL 14 2HG2 VAL 14 3.416 2.366 3.828 66 H GLY 15 H GLY 15 5.363 6.050 4.269 67 HA2 GLY 15 2HA GLY 15 7.672 6.217 6.045 68 HA3 GLY 15 3HA GLY 15 6.093 6.991 6.277 69 H GLY 16 H GLY 16 7.897 5.455 8.101 70 HA2 GLY 16 2HA GLY 16 7.540 4.341 10.048 71 HA3 GLY 16 3HA GLY 16 5.822 4.254 9.615 72 H MET 17 H MET 17 6.597 2.455 7.126 73 HA MET 17 HA MET 17 6.053 0.107 8.691 74 HB3 MET 17 2HB MET 17 5.719 -1.053 6.629 75 HG3 MET 17 2HG MET 17 4.162 0.418 5.454 76 HE1 MET 17 3HE MET 17 1.535 2.040 7.980 77 HE2 MET 17 1HE MET 17 2.974 2.929 7.428 78 HE3 MET 17 2HE MET 17 2.045 1.946 6.275 79 H ARG 18 H ARG 18 9.045 1.239 8.649 80 HA ARG 18 HA ARG 18 10.438 -1.335 8.153 81 HB3 ARG 18 2HB ARG 18 12.476 -0.097 8.782 82 HG3 ARG 18 2HG ARG 18 10.775 1.394 6.737 83 HD3 ARG 18 2HD ARG 18 13.793 1.168 7.172 84 HE ARG 18 HE ARG 18 12.498 1.764 4.726 85 HH11 ARG 18 1HH1 ARG 18 15.047 3.083 6.771 86 HH12 ARG 18 2HH1 ARG 18 15.781 3.971 5.453 87 HH21 ARG 18 1HH2 ARG 18 13.460 2.938 3.072 88 HH22 ARG 18 2HH2 ARG 18 14.832 3.956 3.400 89 H CYS 19 H CYS 19 11.768 -2.302 9.802 90 HA CYS 19 HA CYS 19 12.385 -3.108 11.815 91 HB3 CYS 19 2HB CYS 19 11.281 -0.435 12.827 92 HG CYS 19 HG CYS 19 13.378 -2.626 14.167 93 H ALA 20 H ALA 20 9.346 -1.568 12.764 94 HA ALA 20 HA ALA 20 8.567 -3.709 14.543 95 HB1 ALA 20 1HB ALA 20 6.669 -2.111 14.951 96 HB2 ALA 20 2HB ALA 20 8.244 -1.313 14.997 97 HB3 ALA 20 3HB ALA 20 7.208 -1.152 13.564 98 H ALA 21 H ALA 21 6.031 -4.166 14.497 99 HA ALA 21 HA ALA 21 5.407 -5.733 12.112 100 HB1 ALA 21 1HB ALA 21 5.027 -6.508 14.443 101 HB2 ALA 21 2HB ALA 21 3.824 -5.216 14.667 102 HB3 ALA 21 3HB ALA 21 3.538 -6.515 13.485 103 H CYS 22 H CYS 22 5.194 -2.526 12.261 104 HA CYS 22 HA CYS 22 2.570 -1.698 11.951 105 HB3 CYS 22 2HB CYS 22 3.641 0.265 10.721 106 HG CYS 22 HG CYS 22 5.118 1.274 12.579 107 H ALA 23 H ALA 23 4.657 -2.848 9.308 108 HA ALA 23 HA ALA 23 3.053 -2.480 7.065 109 HB1 ALA 23 1HB ALA 23 4.297 -4.358 6.187 110 HB2 ALA 23 2HB ALA 23 5.358 -3.337 7.151 111 HB3 ALA 23 3HB ALA 23 4.766 -4.880 7.818 112 H SER 24 H SER 24 2.519 -4.812 9.743 113 HA SER 24 HA SER 24 0.673 -6.491 8.196 114 HB3 SER 24 2HB SER 24 0.326 -7.694 10.246 115 HG SER 24 HG SER 24 2.399 -7.820 9.093 116 H SER 25 H SER 25 0.318 -3.602 10.204 117 HA SER 25 HA SER 25 -2.590 -3.828 10.460 118 HB3 SER 25 2HB SER 25 -2.512 -1.617 11.365 119 HG SER 25 HG SER 25 -0.560 -1.846 12.837 120 H ILE 26 H ILE 26 -0.508 -3.026 7.934 121 HA ILE 26 HA ILE 26 -2.684 -1.717 6.341 122 HB ILE 26 HB ILE 26 0.189 -2.354 5.614 123 HG13 ILE 26 2HG1 ILE 26 0.702 0.040 5.806 124 HG21 ILE 26 1HG2 ILE 26 -1.130 -2.212 3.631 125 HG22 ILE 26 2HG2 ILE 26 -1.864 -0.679 4.154 126 HG23 ILE 26 3HG2 ILE 26 -0.129 -0.763 3.771 127 HD11 ILE 26 3HD1 ILE 26 -1.913 0.252 7.355 128 HD12 ILE 26 1HD1 ILE 26 -0.666 1.505 7.200 129 HD13 ILE 26 2HD1 ILE 26 -1.598 1.018 5.776 130 H GLU 27 H GLU 27 -0.462 -4.551 6.231 131 HA GLU 27 HA GLU 27 -1.557 -5.701 3.930 132 HB3 GLU 27 2HB GLU 27 -0.245 -7.237 6.189 133 HG3 GLU 27 2HG GLU 27 -0.108 -7.511 3.147 134 H ARG 28 H ARG 28 -2.456 -6.341 7.363 135 HA ARG 28 HA ARG 28 -4.253 -8.475 6.958 136 HB3 ARG 28 2HB ARG 28 -4.336 -6.208 8.993 137 HG3 ARG 28 2HG ARG 28 -5.489 -9.029 9.175 138 HD3 ARG 28 2HD ARG 28 -5.305 -6.744 11.177 139 HE ARG 28 HE ARG 28 -7.122 -9.008 11.137 140 HH11 ARG 28 1HH1 ARG 28 -5.148 -7.143 13.400 141 HH12 ARG 28 2HH1 ARG 28 -6.337 -7.265 14.679 142 HH21 ARG 28 1HH2 ARG 28 -8.564 -9.206 12.863 143 HH22 ARG 28 2HH2 ARG 28 -8.078 -8.620 14.434 144 H ALA 29 H ALA 29 -4.769 -5.038 6.372 145 HA ALA 29 HA ALA 29 -7.660 -5.403 5.767 146 HB1 ALA 29 1HB ALA 29 -5.859 -2.937 5.734 147 HB2 ALA 29 2HB ALA 29 -7.621 -2.958 5.487 148 HB3 ALA 29 3HB ALA 29 -6.944 -3.419 7.061 149 H LEU 30 H LEU 30 -4.535 -4.819 4.122 150 HA LEU 30 HA LEU 30 -5.635 -4.148 1.588 151 HB3 LEU 30 2HB LEU 30 -2.896 -5.265 2.279 152 HG LEU 30 HG LEU 30 -3.124 -5.026 -0.153 153 HD11 LEU 30 1HD1 LEU 30 -3.897 -2.129 0.429 154 HD12 LEU 30 2HD1 LEU 30 -4.924 -3.371 -0.327 155 HD13 LEU 30 3HD1 LEU 30 -3.493 -2.790 -1.173 156 HD21 LEU 30 3HD2 LEU 30 -1.499 -2.774 1.118 157 HD22 LEU 30 1HD2 LEU 30 -1.236 -3.471 -0.494 158 HD23 LEU 30 2HD2 LEU 30 -0.981 -4.465 0.952 159 H GLU 31 H GLU 31 -5.140 -7.353 2.986 160 HA GLU 31 HA GLU 31 -5.691 -8.625 0.394 161 HB3 GLU 31 2HB GLU 31 -4.354 -9.871 1.874 162 HG3 GLU 31 2HG GLU 31 -6.697 -10.079 3.803 163 H ARG 32 H ARG 32 -7.633 -6.823 2.462 164 HA ARG 32 HA ARG 32 -10.088 -8.334 1.743 165 HB3 ARG 32 2HB ARG 32 -11.122 -7.386 3.753 166 HG3 ARG 32 2HG ARG 32 -9.700 -8.185 5.624 167 HD3 ARG 32 2HD ARG 32 -11.156 -9.828 4.472 168 HE ARG 32 HE ARG 32 -9.106 -9.860 2.492 169 HH11 ARG 32 1HH1 ARG 32 -11.146 -12.296 4.092 170 HH12 ARG 32 2HH1 ARG 32 -11.309 -13.195 2.614 171 HH21 ARG 32 1HH2 ARG 32 -9.233 -11.070 0.775 172 HH22 ARG 32 2HH2 ARG 32 -10.126 -12.583 0.783 173 H LEU 33 H LEU 33 -8.604 -5.166 1.372 174 HA LEU 33 HA LEU 33 -10.888 -3.540 0.961 175 HB3 LEU 33 2HB LEU 33 -9.437 -2.103 -0.420 176 HG LEU 33 HG LEU 33 -7.726 -3.150 1.846 177 HD11 LEU 33 1HD1 LEU 33 -7.744 -0.442 0.473 178 HD12 LEU 33 2HD1 LEU 33 -6.576 -1.737 0.151 179 HD13 LEU 33 3HD1 LEU 33 -6.640 -0.983 1.753 180 HD21 LEU 33 3HD2 LEU 33 -9.759 -0.884 1.912 181 HD22 LEU 33 1HD2 LEU 33 -8.621 -1.300 3.206 182 HD23 LEU 33 2HD2 LEU 33 -9.908 -2.439 2.773 183 H LYS 34 H LYS 34 -11.760 -2.611 -0.971 184 HA LYS 34 HA LYS 34 -12.461 -4.531 -3.090 185 HB3 LYS 34 2HB LYS 34 -13.367 -2.216 -4.059 186 HG3 LYS 34 2HG LYS 34 -14.767 -4.110 -3.272 187 HD3 LYS 34 2HD LYS 34 -14.161 -4.177 -0.837 188 HE3 LYS 34 2HE LYS 34 -15.770 -1.573 -0.827 189 HZ1 LYS 34 3HZ LYS 34 -15.491 -1.703 1.568 190 HZ2 LYS 34 1HZ LYS 34 -14.823 -3.211 1.449 191 HZ3 LYS 34 2HZ LYS 34 -16.408 -2.955 1.018 192 H GLY 35 H GLY 35 -12.034 -4.191 -5.357 193 HA2 GLY 35 2HA GLY 35 -10.883 -3.579 -7.246 194 HA3 GLY 35 3HA GLY 35 -10.172 -2.234 -6.335 195 H VAL 36 H VAL 36 -8.715 -3.697 -4.432 196 HA VAL 36 HA VAL 36 -6.367 -4.590 -5.852 197 HB VAL 36 HB VAL 36 -5.509 -5.302 -3.649 198 HG11 VAL 36 1HG1 VAL 36 -6.834 -2.547 -3.634 199 HG12 VAL 36 2HG1 VAL 36 -5.514 -3.069 -2.577 200 HG13 VAL 36 3HG1 VAL 36 -5.241 -2.957 -4.312 201 HG21 VAL 36 3HG2 VAL 36 -8.244 -4.456 -2.596 202 HG22 VAL 36 1HG2 VAL 36 -7.592 -6.107 -2.573 203 HG23 VAL 36 2HG2 VAL 36 -6.833 -4.841 -1.604 204 H ALA 37 H ALA 37 -5.483 -6.615 -6.101 205 HA ALA 37 HA ALA 37 -7.197 -9.024 -5.569 206 HB1 ALA 37 1HB ALA 37 -5.744 -8.286 -8.152 207 HB2 ALA 37 2HB ALA 37 -6.646 -9.792 -7.862 208 HB3 ALA 37 3HB ALA 37 -7.503 -8.239 -7.899 209 H GLU 38 H GLU 38 -3.997 -7.660 -5.409 210 HA GLU 38 HA GLU 38 -3.063 -9.957 -3.996 211 HB3 GLU 38 2HB GLU 38 -1.240 -9.287 -6.298 212 HG3 GLU 38 2HG GLU 38 -1.827 -11.976 -5.008 213 H ALA 39 H ALA 39 -1.201 -9.359 -2.703 214 HA ALA 39 HA ALA 39 0.291 -6.942 -3.205 215 HB1 ALA 39 1HB ALA 39 -1.611 -6.962 -0.814 216 HB2 ALA 39 2HB ALA 39 -0.423 -5.696 -1.220 217 HB3 ALA 39 3HB ALA 39 -1.824 -5.970 -2.268 218 H SER 40 H SER 40 2.027 -6.621 -1.640 219 HA SER 40 HA SER 40 2.363 -8.392 0.648 220 HB3 SER 40 2HB SER 40 4.559 -9.349 -0.229 221 HG SER 40 HG SER 40 1.976 -10.077 -1.035 222 H VAL 41 H VAL 41 3.960 -7.746 2.052 223 HA VAL 41 HA VAL 41 4.926 -4.955 1.601 224 HB VAL 41 HB VAL 41 5.144 -4.810 4.042 225 HG11 VAL 41 1HG1 VAL 41 2.387 -5.802 3.166 226 HG12 VAL 41 2HG1 VAL 41 2.736 -4.806 4.585 227 HG13 VAL 41 3HG1 VAL 41 3.018 -4.157 2.970 228 HG21 VAL 41 3HG2 VAL 41 4.280 -6.518 5.556 229 HG22 VAL 41 1HG2 VAL 41 3.862 -7.569 4.211 230 HG23 VAL 41 2HG2 VAL 41 5.569 -7.221 4.579 231 H THR 42 H THR 42 7.056 -4.335 2.193 232 HA THR 42 HA THR 42 9.030 -6.507 2.790 233 HB THR 42 HB THR 42 9.437 -4.301 0.741 234 HG1 THR 42 1HG THR 42 8.336 -6.034 -0.124 235 HG21 THR 42 3HG2 THR 42 11.527 -4.815 2.074 236 HG22 THR 42 1HG2 THR 42 11.636 -5.333 0.391 237 HG23 THR 42 2HG2 THR 42 11.323 -6.529 1.652 238 H VAL 43 H VAL 43 9.055 -6.044 4.884 239 HA VAL 43 HA VAL 43 9.079 -3.414 6.045 240 HB VAL 43 HB VAL 43 9.772 -6.157 7.151 241 HG11 VAL 43 1HG1 VAL 43 9.516 -5.166 9.435 242 HG12 VAL 43 2HG1 VAL 43 10.956 -4.582 8.608 243 HG13 VAL 43 3HG1 VAL 43 9.518 -3.547 8.718 244 HG21 VAL 43 3HG2 VAL 43 7.381 -5.713 6.497 245 HG22 VAL 43 1HG2 VAL 43 7.565 -5.929 8.243 246 HG23 VAL 43 2HG2 VAL 43 7.390 -4.299 7.563 247 H ALA 44 H ALA 44 11.721 -5.597 4.953 248 HA ALA 44 HA ALA 44 13.887 -4.570 6.414 249 HB1 ALA 44 1HB ALA 44 13.933 -6.629 5.078 250 HB2 ALA 44 2HB ALA 44 13.833 -5.690 3.573 251 HB3 ALA 44 3HB ALA 44 15.267 -5.560 4.616 252 H THR 45 H THR 45 12.516 -3.293 3.407 253 HA THR 45 HA THR 45 14.351 -0.919 3.468 254 HB THR 45 HB THR 45 13.693 -0.706 1.054 255 HG1 THR 45 1HG THR 45 12.799 -2.666 0.174 256 HG21 THR 45 3HG2 THR 45 15.806 -1.856 1.751 257 HG22 THR 45 1HG2 THR 45 15.141 -2.474 0.233 258 HG23 THR 45 2HG2 THR 45 14.945 -3.409 1.733 259 H GLY 46 H GLY 46 11.036 -1.883 3.903 260 HA2 GLY 46 2HA GLY 46 9.193 -0.599 4.448 261 HA3 GLY 46 3HA GLY 46 10.176 0.884 4.351 262 H ARG 47 H ARG 47 9.082 -1.736 2.179 263 HA ARG 47 HA ARG 47 7.932 0.310 0.320 264 HB3 ARG 47 2HB ARG 47 8.376 -1.202 -1.563 265 HG3 ARG 47 2HG ARG 47 11.057 -0.727 -0.239 266 HD3 ARG 47 2HD ARG 47 11.829 -0.613 -2.567 267 HE ARG 47 HE ARG 47 10.031 -3.005 -2.601 268 HH11 ARG 47 1HH1 ARG 47 13.376 -1.868 -2.099 269 HH12 ARG 47 2HH1 ARG 47 13.928 -3.516 -1.842 270 HH21 ARG 47 1HH2 ARG 47 10.911 -5.041 -2.427 271 HH22 ARG 47 2HH2 ARG 47 12.608 -5.210 -2.051 272 H LEU 48 H LEU 48 6.248 -0.556 -1.037 273 HA LEU 48 HA LEU 48 4.906 -3.043 -0.131 274 HB3 LEU 48 2HB LEU 48 2.949 -1.061 -1.067 275 HG LEU 48 HG LEU 48 3.417 -2.460 1.595 276 HD11 LEU 48 1HD1 LEU 48 1.099 -0.736 0.661 277 HD12 LEU 48 2HD1 LEU 48 2.215 -0.393 2.001 278 HD13 LEU 48 3HD1 LEU 48 1.085 -1.759 2.117 279 HD21 LEU 48 3HD2 LEU 48 1.373 -2.972 -0.630 280 HD22 LEU 48 1HD2 LEU 48 1.437 -3.823 0.931 281 HD23 LEU 48 2HD2 LEU 48 2.751 -4.010 -0.223 282 H THR 49 H THR 49 3.845 -4.157 -1.750 283 HA THR 49 HA THR 49 4.037 -3.252 -4.597 284 HB THR 49 HB THR 49 4.753 -6.038 -3.602 285 HG1 THR 49 1HG THR 49 6.800 -5.371 -4.590 286 HG21 THR 49 3HG2 THR 49 3.695 -6.069 -5.846 287 HG22 THR 49 1HG2 THR 49 5.425 -6.395 -5.977 288 HG23 THR 49 2HG2 THR 49 4.800 -4.791 -6.400 289 H VAL 50 H VAL 50 2.228 -3.594 -5.649 290 HA VAL 50 HA VAL 50 0.023 -5.186 -4.460 291 HB VAL 50 HB VAL 50 -0.044 -3.044 -3.275 292 HG11 VAL 50 1HG1 VAL 50 -0.555 -0.929 -4.383 293 HG12 VAL 50 2HG1 VAL 50 0.984 -1.567 -4.975 294 HG13 VAL 50 3HG1 VAL 50 -0.475 -1.698 -5.978 295 HG21 VAL 50 3HG2 VAL 50 -2.374 -2.449 -3.647 296 HG22 VAL 50 1HG2 VAL 50 -2.379 -3.268 -5.216 297 HG23 VAL 50 2HG2 VAL 50 -2.177 -4.207 -3.726 298 H THR 51 H THR 51 -1.536 -5.787 -5.815 299 HA THR 51 HA THR 51 -1.458 -4.956 -8.687 300 HB THR 51 HB THR 51 -2.229 -7.660 -7.500 301 HG1 THR 51 1HG THR 51 -0.016 -7.521 -7.575 302 HG21 THR 51 3HG2 THR 51 -2.362 -8.365 -9.884 303 HG22 THR 51 1HG2 THR 51 -2.049 -6.697 -10.410 304 HG23 THR 51 2HG2 THR 51 -3.544 -7.094 -9.546 305 H TYR 52 H TYR 52 -3.164 -3.717 -9.127 306 HA TYR 52 HA TYR 52 -5.813 -4.388 -7.999 307 HB3 TYR 52 2HB TYR 52 -4.760 -2.785 -6.443 308 HD1 TYR 52 1HD TYR 52 -6.208 -0.464 -9.005 309 HD2 TYR 52 2HD TYR 52 -2.797 -1.434 -6.560 310 HE1 TYR 52 1HE TYR 52 -5.214 1.753 -9.510 311 HE2 TYR 52 2HE TYR 52 -1.817 0.801 -7.032 312 HH TYR 52 HH TYR 52 -2.146 2.904 -8.052 313 H ASP 53 H ASP 53 -7.635 -3.318 -9.016 314 HA ASP 53 HA ASP 53 -7.277 -3.097 -11.898 315 HB3 ASP 53 2HB ASP 53 -9.714 -3.245 -10.107 316 HA PRO 54 HA PRO 54 -7.182 1.353 -11.287 317 HB3 PRO 54 2HB PRO 54 -5.483 1.263 -12.871 318 HG3 PRO 54 2HG PRO 54 -5.665 -0.119 -14.824 319 HD3 PRO 54 2HD PRO 54 -5.890 -1.545 -12.964 320 H LYS 55 H LYS 55 -9.825 -0.236 -12.180 321 HA LYS 55 HA LYS 55 -11.371 2.190 -13.106 322 HB3 LYS 55 2HB LYS 55 -12.984 0.678 -14.146 323 HG3 LYS 55 2HG LYS 55 -10.181 0.026 -15.157 324 HD3 LYS 55 2HD LYS 55 -12.888 -0.047 -16.573 325 HE3 LYS 55 2HE LYS 55 -11.604 -1.202 -18.367 326 HZ1 LYS 55 3HZ LYS 55 -10.399 1.432 -17.787 327 HZ2 LYS 55 1HZ LYS 55 -11.906 1.248 -18.467 328 HZ3 LYS 55 2HZ LYS 55 -10.555 0.741 -19.244 329 H GLN 56 H GLN 56 -11.467 -0.854 -11.223 330 HA GLN 56 HA GLN 56 -13.670 -0.090 -9.518 331 HB3 GLN 56 2HB GLN 56 -12.701 -1.757 -7.948 332 HG3 GLN 56 2HG GLN 56 -12.667 -2.874 -10.786 333 HE21 GLN 56 1HE2 GLN 56 -14.846 -3.983 -8.328 334 HE22 GLN 56 2HE2 GLN 56 -13.832 -5.273 -7.679 335 H VAL 57 H VAL 57 -10.110 0.588 -9.273 336 HA VAL 57 HA VAL 57 -10.717 2.695 -7.264 337 HB VAL 57 HB VAL 57 -9.088 1.939 -5.639 338 HG11 VAL 57 1HG1 VAL 57 -10.323 0.122 -4.593 339 HG12 VAL 57 2HG1 VAL 57 -11.428 1.326 -5.266 340 HG13 VAL 57 3HG1 VAL 57 -11.171 -0.229 -6.095 341 HG21 VAL 57 3HG2 VAL 57 -8.850 -0.621 -7.297 342 HG22 VAL 57 1HG2 VAL 57 -7.579 0.590 -7.034 343 HG23 VAL 57 2HG2 VAL 57 -8.169 -0.373 -5.676 344 H SER 58 H SER 58 -8.441 3.671 -6.477 345 HA SER 58 HA SER 58 -6.306 3.472 -8.469 346 HB3 SER 58 2HB SER 58 -7.741 5.442 -9.190 347 HG SER 58 HG SER 58 -6.447 6.981 -7.238 348 H GLU 59 H GLU 59 -4.424 5.048 -7.455 349 HA GLU 59 HA GLU 59 -3.418 3.996 -5.142 350 HB3 GLU 59 2HB GLU 59 -1.794 5.265 -5.909 351 HG3 GLU 59 2HG GLU 59 -3.020 6.223 -7.876 352 H ILE 60 H ILE 60 -5.734 6.676 -5.207 353 HA ILE 60 HA ILE 60 -5.962 7.547 -2.594 354 HB ILE 60 HB ILE 60 -8.000 6.789 -4.694 355 HG13 ILE 60 2HG1 ILE 60 -8.366 9.120 -4.947 356 HG21 ILE 60 1HG2 ILE 60 -8.699 7.717 -1.900 357 HG22 ILE 60 2HG2 ILE 60 -9.779 7.938 -3.300 358 HG23 ILE 60 3HG2 ILE 60 -9.320 6.308 -2.807 359 HD11 ILE 60 3HD1 ILE 60 -8.204 9.972 -2.620 360 HD12 ILE 60 1HD1 ILE 60 -6.449 9.679 -2.636 361 HD13 ILE 60 2HD1 ILE 60 -7.166 10.873 -3.729 362 H THR 61 H THR 61 -7.220 4.381 -3.708 363 HA THR 61 HA THR 61 -8.559 3.761 -1.252 364 HB THR 61 HB THR 61 -7.705 2.254 -3.712 365 HG1 THR 61 1HG THR 61 -9.524 3.358 -3.869 366 HG21 THR 61 3HG2 THR 61 -8.851 0.916 -1.222 367 HG22 THR 61 1HG2 THR 61 -7.375 0.484 -2.104 368 HG23 THR 61 2HG2 THR 61 -8.946 0.230 -2.855 369 H ILE 62 H ILE 62 -5.218 3.220 -2.205 370 HA ILE 62 HA ILE 62 -4.736 1.691 0.320 371 HB ILE 62 HB ILE 62 -3.959 0.648 -1.718 372 HG13 ILE 62 2HG1 ILE 62 -2.738 0.361 0.432 373 HG21 ILE 62 1HG2 ILE 62 -2.172 3.075 -2.176 374 HG22 ILE 62 2HG2 ILE 62 -2.125 1.560 -3.101 375 HG23 ILE 62 3HG2 ILE 62 -3.557 2.563 -3.172 376 HD11 ILE 62 3HD1 ILE 62 -2.108 -0.933 -1.688 377 HD12 ILE 62 1HD1 ILE 62 -0.758 0.213 -1.870 378 HD13 ILE 62 2HD1 ILE 62 -0.867 -0.812 -0.433 379 H GLN 63 H GLN 63 -3.919 4.756 -1.262 380 HA GLN 63 HA GLN 63 -2.089 5.886 0.584 381 HB3 GLN 63 2HB GLN 63 -3.494 8.039 -0.065 382 HG3 GLN 63 2HG GLN 63 -2.091 6.349 -2.176 383 HE21 GLN 63 1HE2 GLN 63 -0.544 8.358 -3.218 384 HE22 GLN 63 2HE2 GLN 63 -1.597 9.444 -4.128 385 H GLU 64 H GLU 64 -5.682 5.934 0.698 386 HA GLU 64 HA GLU 64 -5.986 7.155 3.242 387 HB3 GLU 64 2HB GLU 64 -8.216 5.717 3.081 388 HG3 GLU 64 2HG GLU 64 -8.912 7.213 1.043 389 H ARG 65 H ARG 65 -5.188 3.738 2.526 390 HA ARG 65 HA ARG 65 -5.808 2.928 5.283 391 HB3 ARG 65 2HB ARG 65 -4.322 1.459 3.059 392 HG3 ARG 65 2HG ARG 65 -3.821 0.280 5.079 393 HD3 ARG 65 2HD ARG 65 -5.304 1.022 6.769 394 HE ARG 65 HE ARG 65 -7.369 1.027 4.943 395 HH11 ARG 65 1HH1 ARG 65 -7.187 -0.482 8.185 396 HH12 ARG 65 2HH1 ARG 65 -8.842 -0.030 8.505 397 HH21 ARG 65 1HH2 ARG 65 -9.389 1.409 5.395 398 HH22 ARG 65 2HH2 ARG 65 -10.138 0.924 6.897 399 H ILE 66 H ILE 66 -2.816 3.732 3.463 400 HA ILE 66 HA ILE 66 -1.129 3.363 5.850 401 HB ILE 66 HB ILE 66 -0.657 4.774 3.195 402 HG13 ILE 66 2HG1 ILE 66 0.424 2.224 4.511 403 HG21 ILE 66 1HG2 ILE 66 1.276 4.478 5.533 404 HG22 ILE 66 2HG2 ILE 66 1.674 5.103 3.918 405 HG23 ILE 66 3HG2 ILE 66 0.591 6.017 4.939 406 HD11 ILE 66 3HD1 ILE 66 -0.773 2.720 1.759 407 HD12 ILE 66 1HD1 ILE 66 -0.014 1.208 2.270 408 HD13 ILE 66 2HD1 ILE 66 -1.511 1.741 3.059 409 H ALA 67 H ALA 67 -2.798 6.212 4.456 410 HA ALA 67 HA ALA 67 -1.797 8.055 6.374 411 HB1 ALA 67 1HB ALA 67 -2.836 8.723 4.247 412 HB2 ALA 67 2HB ALA 67 -4.403 8.070 4.774 413 HB3 ALA 67 3HB ALA 67 -3.692 9.467 5.606 414 H ALA 68 H ALA 68 -4.634 5.811 6.529 415 HA ALA 68 HA ALA 68 -5.700 6.970 8.950 416 HB1 ALA 68 1HB ALA 68 -6.235 4.315 7.556 417 HB2 ALA 68 2HB ALA 68 -7.204 5.006 8.878 418 HB3 ALA 68 3HB ALA 68 -7.113 5.849 7.324 419 H LEU 69 H LEU 69 -3.222 4.560 8.337 420 HA LEU 69 HA LEU 69 -2.954 3.975 11.219 421 HB3 LEU 69 2HB LEU 69 -0.639 3.083 10.238 422 HG LEU 69 HG LEU 69 -1.558 0.926 9.794 423 HD11 LEU 69 1HD1 LEU 69 -1.447 1.783 12.169 424 HD12 LEU 69 2HD1 LEU 69 -2.615 0.475 11.910 425 HD13 LEU 69 3HD1 LEU 69 -3.194 2.123 12.066 426 HD21 LEU 69 3HD2 LEU 69 -3.939 0.423 9.738 427 HD22 LEU 69 1HD2 LEU 69 -3.534 1.537 8.429 428 HD23 LEU 69 2HD2 LEU 69 -4.356 2.138 9.881 429 H GLY 70 H GLY 70 -2.403 6.756 9.522 430 HA2 GLY 70 2HA GLY 70 -1.767 8.730 10.552 431 HA3 GLY 70 3HA GLY 70 -0.843 7.832 11.779 432 H TYR 71 H TYR 71 0.016 6.692 8.737 433 HA TYR 71 HA TYR 71 2.558 8.252 8.773 434 HB3 TYR 71 2HB TYR 71 3.453 6.358 7.511 435 HD1 TYR 71 2HD TYR 71 4.433 6.809 9.884 436 HD2 TYR 71 1HD TYR 71 1.208 4.074 9.074 437 HE1 TYR 71 2HE TYR 71 4.949 5.590 11.969 438 HE2 TYR 71 1HE TYR 71 1.736 2.820 11.158 439 HH TYR 71 HH TYR 71 4.336 3.901 13.398 440 H THR 72 H THR 72 3.220 7.488 6.006 441 HA THR 72 HA THR 72 1.125 8.559 4.292 442 HB THR 72 HB THR 72 3.443 10.104 3.528 443 HG1 THR 72 1HG THR 72 3.593 11.474 5.298 444 HG21 THR 72 3HG2 THR 72 1.840 11.971 3.823 445 HG22 THR 72 1HG2 THR 72 0.731 10.882 4.678 446 HG23 THR 72 2HG2 THR 72 1.130 10.601 2.968 447 H LEU 73 H LEU 73 1.180 7.702 2.320 448 HA LEU 73 HA LEU 73 3.307 5.836 1.576 449 HB3 LEU 73 2HB LEU 73 0.792 6.686 0.078 450 HG LEU 73 HG LEU 73 2.441 5.173 -1.185 451 HD11 LEU 73 1HD1 LEU 73 3.187 3.786 0.747 452 HD12 LEU 73 2HD1 LEU 73 2.468 2.779 -0.513 453 HD13 LEU 73 3HD1 LEU 73 1.537 3.165 0.932 454 HD21 LEU 73 3HD2 LEU 73 0.072 5.298 -1.789 455 HD22 LEU 73 1HD2 LEU 73 -0.342 4.101 -0.540 456 HD23 LEU 73 2HD2 LEU 73 0.646 3.631 -1.941 457 H ALA 74 H ALA 74 4.772 6.011 -0.100 458 HA ALA 74 HA ALA 74 4.974 8.643 -1.525 459 HB1 ALA 74 1HB ALA 74 7.414 8.081 -1.574 460 HB2 ALA 74 2HB ALA 74 6.763 8.348 0.056 461 HB3 ALA 74 3HB ALA 74 7.079 6.698 -0.518 462 H GLU 75 H GLU 75 3.667 8.063 -3.253 463 HA GLU 75 HA GLU 75 4.912 6.253 -5.260 464 HB3 GLU 75 2HB GLU 75 1.906 6.584 -4.856 465 HG3 GLU 75 2HG GLU 75 1.993 4.297 -6.051 466 HA PRO 76 HA PRO 76 4.394 10.414 -7.088 467 HB3 PRO 76 2HB PRO 76 6.658 10.659 -6.629 468 HG3 PRO 76 2HG PRO 76 8.202 8.889 -6.971 469 HD3 PRO 76 2HD PRO 76 6.652 7.888 -5.557 Start of MODEL 26 1 H2 PRO 6 2H PRO 6 -7.245 -2.340 -16.621 2 HA PRO 6 HA PRO 6 -8.305 -4.881 -15.643 3 HB3 PRO 6 2HB PRO 6 -7.043 -6.053 -17.215 4 HG3 PRO 6 2HG PRO 6 -8.354 -5.131 -18.923 5 HD3 PRO 6 2HD PRO 6 -9.635 -3.791 -17.544 6 H LEU 7 H LEU 7 -6.616 -6.085 -14.358 7 HA LEU 7 HA LEU 7 -5.435 -4.265 -12.487 8 HB3 LEU 7 2HB LEU 7 -6.599 -6.290 -11.836 9 HG LEU 7 HG LEU 7 -5.409 -7.761 -13.763 10 HD11 LEU 7 1HD1 LEU 7 -3.651 -9.186 -12.912 11 HD12 LEU 7 2HD1 LEU 7 -3.752 -8.445 -11.306 12 HD13 LEU 7 3HD1 LEU 7 -3.103 -7.520 -12.670 13 HD21 LEU 7 3HD2 LEU 7 -6.148 -8.793 -10.991 14 HD22 LEU 7 1HD2 LEU 7 -6.041 -9.779 -12.469 15 HD23 LEU 7 2HD2 LEU 7 -7.265 -8.507 -12.340 16 H LYS 8 H LYS 8 -3.373 -3.960 -11.906 17 HA LYS 8 HA LYS 8 -1.140 -5.221 -13.337 18 HB3 LYS 8 2HB LYS 8 -1.511 -3.360 -14.822 19 HG3 LYS 8 2HG LYS 8 -1.786 -1.686 -12.307 20 HD3 LYS 8 2HD LYS 8 -1.438 0.318 -13.847 21 HE3 LYS 8 2HE LYS 8 0.836 -1.426 -12.865 22 HZ1 LYS 8 3HZ LYS 8 1.731 -0.074 -14.606 23 HZ2 LYS 8 1HZ LYS 8 2.232 0.526 -13.150 24 HZ3 LYS 8 2HZ LYS 8 1.045 1.285 -14.038 25 H THR 9 H THR 9 0.819 -5.170 -12.226 26 HA THR 9 HA THR 9 0.629 -4.474 -9.355 27 HB THR 9 HB THR 9 1.602 -6.650 -10.108 28 HG1 THR 9 1HG THR 9 3.125 -6.481 -8.479 29 HG21 THR 9 3HG2 THR 9 3.868 -6.758 -10.867 30 HG22 THR 9 1HG2 THR 9 4.102 -5.004 -10.694 31 HG23 THR 9 2HG2 THR 9 3.061 -5.642 -11.977 32 H GLN 10 H GLN 10 2.239 -3.227 -8.307 33 HA GLN 10 HA GLN 10 3.875 -1.379 -9.836 34 HB3 GLN 10 2HB GLN 10 1.620 -0.269 -8.120 35 HG3 GLN 10 2HG GLN 10 3.620 1.264 -8.556 36 HE21 GLN 10 1HE2 GLN 10 3.678 3.363 -10.251 37 HE22 GLN 10 2HE2 GLN 10 4.064 2.843 -11.885 38 H GLN 11 H GLN 11 5.622 -0.732 -8.593 39 HA GLN 11 HA GLN 11 5.736 -1.520 -5.721 40 HB3 GLN 11 2HB GLN 11 8.118 -0.458 -6.039 41 HG3 GLN 11 2HG GLN 11 7.650 -2.887 -5.682 42 HE21 GLN 11 1HE2 GLN 11 6.643 -4.709 -6.520 43 HE22 GLN 11 2HE2 GLN 11 6.553 -5.099 -8.243 44 H MET 12 H MET 12 6.427 -0.012 -4.110 45 HA MET 12 HA MET 12 5.651 2.823 -4.492 46 HB3 MET 12 2HB MET 12 4.127 0.644 -3.011 47 HG3 MET 12 2HG MET 12 3.532 3.628 -2.933 48 HE1 MET 12 3HE MET 12 1.139 3.479 -3.945 49 HE2 MET 12 1HE MET 12 1.362 1.766 -4.391 50 HE3 MET 12 2HE MET 12 -0.077 2.274 -3.498 51 H GLN 13 H GLN 13 6.358 4.139 -2.922 52 HA GLN 13 HA GLN 13 8.241 3.122 -0.868 53 HB3 GLN 13 2HB GLN 13 7.679 5.892 -2.024 54 HG3 GLN 13 2HG GLN 13 10.075 5.122 -0.324 55 HE21 GLN 13 1HE2 GLN 13 11.174 6.251 -2.291 56 HE22 GLN 13 2HE2 GLN 13 11.205 8.018 -2.239 57 H VAL 14 H VAL 14 7.954 3.960 1.332 58 HA VAL 14 HA VAL 14 5.570 5.512 1.986 59 HB VAL 14 HB VAL 14 4.472 3.427 2.138 60 HG11 VAL 14 1HG1 VAL 14 6.771 2.323 3.779 61 HG12 VAL 14 2HG1 VAL 14 5.235 1.496 3.433 62 HG13 VAL 14 3HG1 VAL 14 6.345 1.862 2.114 63 HG21 VAL 14 3HG2 VAL 14 3.798 3.232 4.431 64 HG22 VAL 14 1HG2 VAL 14 5.258 4.058 4.995 65 HG23 VAL 14 2HG2 VAL 14 4.043 4.942 4.043 66 H GLY 15 H GLY 15 5.788 6.763 3.686 67 HA2 GLY 15 2HA GLY 15 8.427 6.957 5.016 68 HA3 GLY 15 3HA GLY 15 7.081 8.114 5.115 69 H GLY 16 H GLY 16 8.827 6.287 6.989 70 HA2 GLY 16 2HA GLY 16 8.620 5.834 9.206 71 HA3 GLY 16 3HA GLY 16 6.887 6.195 9.129 72 H MET 17 H MET 17 6.680 3.919 6.930 73 HA MET 17 HA MET 17 6.255 1.745 8.868 74 HB3 MET 17 2HB MET 17 5.966 1.702 5.847 75 HG3 MET 17 2HG MET 17 4.262 0.167 7.787 76 HE1 MET 17 3HE MET 17 6.556 -0.225 4.576 77 HE2 MET 17 1HE MET 17 6.479 -1.821 5.354 78 HE3 MET 17 2HE MET 17 5.721 -1.568 3.769 79 H ARG 18 H ARG 18 7.914 0.478 9.486 80 HA ARG 18 HA ARG 18 9.471 -1.097 7.664 81 HB3 ARG 18 2HB ARG 18 10.813 0.861 7.317 82 HG3 ARG 18 2HG ARG 18 11.271 0.967 10.327 83 HD3 ARG 18 2HD ARG 18 12.272 2.673 7.994 84 HE ARG 18 HE ARG 18 13.137 3.074 10.802 85 HH11 ARG 18 1HH1 ARG 18 11.109 4.347 8.160 86 HH12 ARG 18 2HH1 ARG 18 11.220 5.977 8.742 87 HH21 ARG 18 1HH2 ARG 18 13.082 5.160 11.588 88 HH22 ARG 18 2HH2 ARG 18 12.125 6.381 10.766 89 H CYS 19 H CYS 19 7.913 -1.055 10.412 90 HA CYS 19 HA CYS 19 9.511 -3.362 11.441 91 HB3 CYS 19 2HB CYS 19 9.313 -1.450 13.060 92 HG CYS 19 HG CYS 19 7.116 -0.292 12.422 93 H ALA 20 H ALA 20 8.304 -5.218 12.123 94 HA ALA 20 HA ALA 20 6.387 -6.008 10.166 95 HB1 ALA 20 1HB ALA 20 8.005 -7.525 11.237 96 HB2 ALA 20 2HB ALA 20 7.183 -7.327 12.797 97 HB3 ALA 20 3HB ALA 20 6.344 -8.116 11.444 98 H ALA 21 H ALA 21 5.874 -4.907 13.542 99 HA ALA 21 HA ALA 21 3.142 -5.481 13.811 100 HB1 ALA 21 1HB ALA 21 4.721 -3.059 14.813 101 HB2 ALA 21 2HB ALA 21 3.149 -3.603 15.432 102 HB3 ALA 21 3HB ALA 21 4.577 -4.636 15.622 103 H CYS 22 H CYS 22 4.470 -2.333 12.572 104 HA CYS 22 HA CYS 22 1.874 -1.460 11.783 105 HB3 CYS 22 2HB CYS 22 3.811 0.043 12.306 106 HG CYS 22 HG CYS 22 5.684 -1.496 11.016 107 H ALA 23 H ALA 23 4.433 -2.976 9.753 108 HA ALA 23 HA ALA 23 3.107 -3.066 7.311 109 HB1 ALA 23 1HB ALA 23 4.814 -5.204 8.644 110 HB2 ALA 23 2HB ALA 23 4.552 -4.972 6.906 111 HB3 ALA 23 3HB ALA 23 5.431 -3.748 7.825 112 H SER 24 H SER 24 2.338 -4.914 10.271 113 HA SER 24 HA SER 24 0.630 -6.877 8.893 114 HB3 SER 24 2HB SER 24 -0.015 -7.562 11.137 115 HG SER 24 HG SER 24 2.794 -7.047 11.065 116 H SER 25 H SER 25 0.123 -3.685 10.313 117 HA SER 25 HA SER 25 -2.815 -3.932 10.321 118 HB3 SER 25 2HB SER 25 -2.835 -1.650 11.092 119 HG SER 25 HG SER 25 -1.791 -1.912 13.016 120 H ILE 26 H ILE 26 -0.306 -2.766 8.142 121 HA ILE 26 HA ILE 26 -2.281 -1.836 6.135 122 HB ILE 26 HB ILE 26 0.674 -2.586 5.853 123 HG13 ILE 26 2HG1 ILE 26 -0.811 0.080 5.765 124 HG21 ILE 26 1HG2 ILE 26 -0.477 -3.182 3.757 125 HG22 ILE 26 2HG2 ILE 26 -1.292 -1.601 3.730 126 HG23 ILE 26 3HG2 ILE 26 0.466 -1.727 3.514 127 HD11 ILE 26 3HD1 ILE 26 1.759 -0.732 7.199 128 HD12 ILE 26 1HD1 ILE 26 1.034 0.888 7.189 129 HD13 ILE 26 2HD1 ILE 26 0.194 -0.449 7.989 130 H GLU 27 H GLU 27 -0.192 -4.765 6.391 131 HA GLU 27 HA GLU 27 -1.269 -5.708 3.988 132 HB3 GLU 27 2HB GLU 27 0.212 -7.414 6.020 133 HG3 GLU 27 2HG GLU 27 0.073 -7.340 2.969 134 H ARG 28 H ARG 28 -2.150 -6.717 7.350 135 HA ARG 28 HA ARG 28 -3.802 -8.868 6.311 136 HB3 ARG 28 2HB ARG 28 -4.053 -7.817 9.132 137 HG3 ARG 28 2HG ARG 28 -4.119 -10.539 7.745 138 HD3 ARG 28 2HD ARG 28 -4.243 -10.060 10.745 139 HE ARG 28 HE ARG 28 -5.115 -12.241 9.223 140 HH11 ARG 28 1HH1 ARG 28 -2.676 -11.869 11.787 141 HH12 ARG 28 2HH1 ARG 28 -2.830 -13.555 12.247 142 HH21 ARG 28 1HH2 ARG 28 -5.371 -14.299 10.014 143 HH22 ARG 28 2HH2 ARG 28 -4.304 -14.901 11.250 144 H ALA 29 H ALA 29 -4.373 -5.509 6.550 145 HA ALA 29 HA ALA 29 -7.328 -5.825 6.257 146 HB1 ALA 29 1HB ALA 29 -6.517 -3.998 7.694 147 HB2 ALA 29 2HB ALA 29 -5.541 -3.353 6.350 148 HB3 ALA 29 3HB ALA 29 -7.316 -3.365 6.235 149 H LEU 30 H LEU 30 -4.404 -5.010 4.359 150 HA LEU 30 HA LEU 30 -5.685 -4.162 1.991 151 HB3 LEU 30 2HB LEU 30 -2.994 -5.513 2.459 152 HG LEU 30 HG LEU 30 -3.257 -5.316 0.043 153 HD11 LEU 30 1HD1 LEU 30 -3.877 -2.368 0.547 154 HD12 LEU 30 2HD1 LEU 30 -4.994 -3.584 -0.128 155 HD13 LEU 30 3HD1 LEU 30 -3.562 -3.102 -1.040 156 HD21 LEU 30 3HD2 LEU 30 -1.330 -3.772 -0.363 157 HD22 LEU 30 1HD2 LEU 30 -1.060 -4.823 1.043 158 HD23 LEU 30 2HD2 LEU 30 -1.517 -3.120 1.272 159 H GLU 31 H GLU 31 -5.499 -7.393 3.228 160 HA GLU 31 HA GLU 31 -6.294 -8.643 0.678 161 HB3 GLU 31 2HB GLU 31 -4.918 -10.005 2.038 162 HG3 GLU 31 2HG GLU 31 -6.916 -9.549 4.292 163 H ARG 32 H ARG 32 -7.934 -6.782 2.951 164 HA ARG 32 HA ARG 32 -10.535 -8.031 2.231 165 HB3 ARG 32 2HB ARG 32 -11.488 -6.963 4.213 166 HG3 ARG 32 2HG ARG 32 -9.023 -8.474 5.150 167 HD3 ARG 32 2HD ARG 32 -11.951 -8.506 5.988 168 HE ARG 32 HE ARG 32 -9.764 -10.238 6.723 169 HH11 ARG 32 1HH1 ARG 32 -12.454 -8.508 8.277 170 HH12 ARG 32 2HH1 ARG 32 -12.466 -9.652 9.611 171 HH21 ARG 32 1HH2 ARG 32 -10.164 -11.812 8.245 172 HH22 ARG 32 2HH2 ARG 32 -11.219 -11.438 9.604 173 H LEU 33 H LEU 33 -8.627 -5.100 1.951 174 HA LEU 33 HA LEU 33 -10.706 -3.325 1.018 175 HB3 LEU 33 2HB LEU 33 -8.920 -2.193 -0.208 176 HG LEU 33 HG LEU 33 -7.715 -3.118 2.428 177 HD11 LEU 33 1HD1 LEU 33 -6.201 -1.885 0.888 178 HD12 LEU 33 2HD1 LEU 33 -6.529 -0.992 2.381 179 HD13 LEU 33 3HD1 LEU 33 -7.346 -0.538 0.871 180 HD21 LEU 33 3HD2 LEU 33 -8.734 -1.096 3.432 181 HD22 LEU 33 1HD2 LEU 33 -9.949 -2.275 2.928 182 HD23 LEU 33 2HD2 LEU 33 -9.651 -0.827 1.932 183 H LYS 34 H LYS 34 -11.627 -2.962 -0.940 184 HA LYS 34 HA LYS 34 -11.820 -5.309 -2.729 185 HB3 LYS 34 2HB LYS 34 -13.654 -3.970 -3.771 186 HG3 LYS 34 2HG LYS 34 -13.956 -4.061 -0.740 187 HD3 LYS 34 2HD LYS 34 -16.226 -4.840 -1.213 188 HE3 LYS 34 2HE LYS 34 -15.792 -2.285 -2.809 189 HZ1 LYS 34 3HZ LYS 34 -18.090 -3.068 -2.633 190 HZ2 LYS 34 1HZ LYS 34 -17.894 -1.712 -1.733 191 HZ3 LYS 34 2HZ LYS 34 -17.979 -3.188 -1.011 192 H GLY 35 H GLY 35 -11.878 -4.822 -5.185 193 HA2 GLY 35 2HA GLY 35 -10.896 -4.033 -7.135 194 HA3 GLY 35 3HA GLY 35 -10.303 -2.641 -6.222 195 H VAL 36 H VAL 36 -8.662 -3.963 -4.388 196 HA VAL 36 HA VAL 36 -6.229 -4.596 -5.760 197 HB VAL 36 HB VAL 36 -7.128 -5.117 -2.898 198 HG11 VAL 36 1HG1 VAL 36 -5.222 -6.614 -3.344 199 HG12 VAL 36 2HG1 VAL 36 -4.291 -5.260 -4.026 200 HG13 VAL 36 3HG1 VAL 36 -4.717 -5.286 -2.304 201 HG21 VAL 36 3HG2 VAL 36 -5.798 -3.125 -2.348 202 HG22 VAL 36 1HG2 VAL 36 -5.384 -2.905 -4.061 203 HG23 VAL 36 2HG2 VAL 36 -7.063 -2.722 -3.506 204 H ALA 37 H ALA 37 -5.280 -6.510 -6.275 205 HA ALA 37 HA ALA 37 -6.900 -9.039 -6.071 206 HB1 ALA 37 1HB ALA 37 -6.654 -8.114 -8.344 207 HB2 ALA 37 2HB ALA 37 -4.884 -8.126 -8.175 208 HB3 ALA 37 3HB ALA 37 -5.790 -9.654 -8.187 209 H GLU 38 H GLU 38 -3.632 -7.702 -5.621 210 HA GLU 38 HA GLU 38 -2.743 -9.883 -3.964 211 HB3 GLU 38 2HB GLU 38 -1.580 -9.646 -6.772 212 HG3 GLU 38 2HG GLU 38 -0.758 -11.474 -4.475 213 H ALA 39 H ALA 39 -1.242 -9.017 -2.526 214 HA ALA 39 HA ALA 39 0.563 -6.837 -3.408 215 HB1 ALA 39 1HB ALA 39 -1.595 -5.787 -2.683 216 HB2 ALA 39 2HB ALA 39 -1.395 -6.549 -1.091 217 HB3 ALA 39 3HB ALA 39 -0.217 -5.339 -1.660 218 H SER 40 H SER 40 2.129 -6.196 -1.668 219 HA SER 40 HA SER 40 2.605 -8.132 0.492 220 HB3 SER 40 2HB SER 40 4.538 -7.945 -1.828 221 HG SER 40 HG SER 40 5.653 -9.554 -0.665 222 H VAL 41 H VAL 41 3.625 -7.198 2.157 223 HA VAL 41 HA VAL 41 5.022 -4.588 1.932 224 HB VAL 41 HB VAL 41 5.293 -4.691 4.373 225 HG11 VAL 41 1HG1 VAL 41 2.479 -5.400 3.477 226 HG12 VAL 41 2HG1 VAL 41 2.937 -4.647 5.020 227 HG13 VAL 41 3HG1 VAL 41 3.232 -3.793 3.508 228 HG21 VAL 41 3HG2 VAL 41 4.072 -6.673 5.573 229 HG22 VAL 41 1HG2 VAL 41 4.414 -7.567 4.090 230 HG23 VAL 41 2HG2 VAL 41 5.739 -6.870 5.012 231 H THR 42 H THR 42 7.180 -4.215 2.174 232 HA THR 42 HA THR 42 9.032 -6.516 2.734 233 HB THR 42 HB THR 42 9.526 -4.100 0.954 234 HG1 THR 42 1HG THR 42 8.396 -5.638 -0.125 235 HG21 THR 42 3HG2 THR 42 11.600 -4.691 2.141 236 HG22 THR 42 1HG2 THR 42 11.695 -5.261 0.471 237 HG23 THR 42 2HG2 THR 42 11.355 -6.412 1.781 238 H VAL 43 H VAL 43 9.354 -6.259 4.852 239 HA VAL 43 HA VAL 43 9.044 -3.746 6.194 240 HB VAL 43 HB VAL 43 10.084 -6.422 7.208 241 HG11 VAL 43 1HG1 VAL 43 9.473 -5.571 9.477 242 HG12 VAL 43 2HG1 VAL 43 10.826 -4.675 8.784 243 HG13 VAL 43 3HG1 VAL 43 9.190 -3.967 8.774 244 HG21 VAL 43 3HG2 VAL 43 7.374 -5.026 7.359 245 HG22 VAL 43 1HG2 VAL 43 7.744 -6.457 6.380 246 HG23 VAL 43 2HG2 VAL 43 7.766 -6.574 8.143 247 H ALA 44 H ALA 44 12.051 -5.662 5.518 248 HA ALA 44 HA ALA 44 13.768 -4.156 7.118 249 HB1 ALA 44 1HB ALA 44 15.553 -5.284 5.814 250 HB2 ALA 44 2HB ALA 44 14.238 -6.397 6.219 251 HB3 ALA 44 3HB ALA 44 14.364 -5.728 4.573 252 H THR 45 H THR 45 12.868 -3.374 3.794 253 HA THR 45 HA THR 45 14.463 -0.837 3.944 254 HB THR 45 HB THR 45 13.987 -0.733 1.443 255 HG1 THR 45 1HG THR 45 13.909 -3.348 1.064 256 HG21 THR 45 3HG2 THR 45 15.858 -2.162 0.867 257 HG22 THR 45 1HG2 THR 45 15.698 -3.073 2.383 258 HG23 THR 45 2HG2 THR 45 16.201 -1.369 2.411 259 H GLY 46 H GLY 46 11.415 -2.015 4.524 260 HA2 GLY 46 2HA GLY 46 9.480 -0.991 5.109 261 HA3 GLY 46 3HA GLY 46 10.395 0.528 5.118 262 H ARG 47 H ARG 47 9.107 -1.758 2.673 263 HA ARG 47 HA ARG 47 7.875 0.475 1.151 264 HB3 ARG 47 2HB ARG 47 10.206 0.371 0.418 265 HG3 ARG 47 2HG ARG 47 9.566 -2.425 -0.620 266 HD3 ARG 47 2HD ARG 47 12.082 -0.713 -0.724 267 HE ARG 47 HE ARG 47 12.883 -2.902 -0.622 268 HH11 ARG 47 1HH1 ARG 47 10.427 -2.823 -3.205 269 HH12 ARG 47 2HH1 ARG 47 11.076 -4.268 -3.940 270 HH21 ARG 47 1HH2 ARG 47 13.649 -4.661 -1.626 271 HH22 ARG 47 2HH2 ARG 47 13.004 -5.171 -3.178 272 H LEU 48 H LEU 48 6.935 -0.496 -1.008 273 HA LEU 48 HA LEU 48 5.332 -2.925 -0.302 274 HB3 LEU 48 2HB LEU 48 3.446 -1.274 -1.357 275 HG LEU 48 HG LEU 48 4.407 -1.207 1.532 276 HD11 LEU 48 1HD1 LEU 48 1.918 -0.000 0.265 277 HD12 LEU 48 2HD1 LEU 48 3.275 0.911 0.967 278 HD13 LEU 48 3HD1 LEU 48 2.254 -0.094 2.014 279 HD21 LEU 48 3HD2 LEU 48 2.278 -2.515 1.863 280 HD22 LEU 48 1HD2 LEU 48 3.438 -3.368 0.839 281 HD23 LEU 48 2HD2 LEU 48 2.045 -2.550 0.108 282 H THR 49 H THR 49 4.092 -3.800 -1.860 283 HA THR 49 HA THR 49 4.337 -3.069 -4.720 284 HB THR 49 HB THR 49 4.669 -5.891 -3.619 285 HG1 THR 49 1HG THR 49 6.646 -5.575 -4.012 286 HG21 THR 49 3HG2 THR 49 4.285 -4.910 -6.480 287 HG22 THR 49 1HG2 THR 49 3.285 -6.084 -5.595 288 HG23 THR 49 2HG2 THR 49 4.936 -6.509 -6.051 289 H VAL 50 H VAL 50 2.305 -3.065 -5.610 290 HA VAL 50 HA VAL 50 0.130 -4.654 -4.339 291 HB VAL 50 HB VAL 50 0.094 -2.522 -3.160 292 HG11 VAL 50 1HG1 VAL 50 -0.458 -0.400 -4.222 293 HG12 VAL 50 2HG1 VAL 50 1.063 -1.018 -4.874 294 HG13 VAL 50 3HG1 VAL 50 -0.433 -1.142 -5.826 295 HG21 VAL 50 3HG2 VAL 50 -2.296 -2.762 -5.033 296 HG22 VAL 50 1HG2 VAL 50 -2.039 -3.699 -3.550 297 HG23 VAL 50 2HG2 VAL 50 -2.256 -1.946 -3.462 298 H THR 51 H THR 51 -1.309 -5.478 -5.678 299 HA THR 51 HA THR 51 -1.368 -4.673 -8.548 300 HB THR 51 HB THR 51 -2.401 -7.287 -7.379 301 HG1 THR 51 1HG THR 51 -0.304 -7.188 -6.925 302 HG21 THR 51 3HG2 THR 51 -2.161 -8.086 -9.681 303 HG22 THR 51 1HG2 THR 51 -1.517 -6.526 -10.208 304 HG23 THR 51 2HG2 THR 51 -3.204 -6.655 -9.683 305 H TYR 52 H TYR 52 -3.128 -3.588 -9.181 306 HA TYR 52 HA TYR 52 -5.797 -4.227 -8.121 307 HB3 TYR 52 2HB TYR 52 -4.840 -2.593 -6.492 308 HD1 TYR 52 1HD TYR 52 -2.634 -1.506 -6.975 309 HD2 TYR 52 2HD TYR 52 -6.269 -0.153 -8.843 310 HE1 TYR 52 1HE TYR 52 -1.524 0.641 -7.565 311 HE2 TYR 52 2HE TYR 52 -5.134 1.953 -9.518 312 HH TYR 52 HH TYR 52 -1.818 2.779 -8.488 313 H ASP 53 H ASP 53 -7.553 -3.059 -9.300 314 HA ASP 53 HA ASP 53 -6.891 -2.484 -12.122 315 HB3 ASP 53 2HB ASP 53 -9.552 -2.847 -10.723 316 HA PRO 54 HA PRO 54 -6.935 1.829 -10.726 317 HB3 PRO 54 2HB PRO 54 -5.538 2.991 -12.191 318 HG3 PRO 54 2HG PRO 54 -4.377 0.919 -11.936 319 HD3 PRO 54 2HD PRO 54 -5.413 -1.113 -12.462 320 H LYS 55 H LYS 55 -9.444 0.419 -12.154 321 HA LYS 55 HA LYS 55 -10.894 3.011 -12.557 322 HB3 LYS 55 2HB LYS 55 -11.366 0.458 -14.148 323 HG3 LYS 55 2HG LYS 55 -13.414 1.747 -14.039 324 HD3 LYS 55 2HD LYS 55 -12.665 3.995 -13.476 325 HE3 LYS 55 2HE LYS 55 -11.576 4.162 -16.328 326 HZ1 LYS 55 3HZ LYS 55 -11.267 6.026 -14.047 327 HZ2 LYS 55 1HZ LYS 55 -12.350 6.236 -15.264 328 HZ3 LYS 55 2HZ LYS 55 -10.730 6.254 -15.587 329 H GLN 56 H GLN 56 -11.114 -0.395 -11.499 330 HA GLN 56 HA GLN 56 -13.631 0.118 -10.068 331 HB3 GLN 56 2HB GLN 56 -13.293 -2.034 -9.017 332 HG3 GLN 56 2HG GLN 56 -13.218 -3.559 -10.853 333 HE21 GLN 56 1HE2 GLN 56 -15.555 -3.130 -10.548 334 HE22 GLN 56 2HE2 GLN 56 -16.380 -2.115 -11.727 335 H VAL 57 H VAL 57 -10.181 0.519 -9.274 336 HA VAL 57 HA VAL 57 -11.010 2.275 -7.081 337 HB VAL 57 HB VAL 57 -9.356 1.454 -5.457 338 HG11 VAL 57 1HG1 VAL 57 -11.712 0.813 -5.187 339 HG12 VAL 57 2HG1 VAL 57 -11.406 -0.700 -6.072 340 HG13 VAL 57 3HG1 VAL 57 -10.596 -0.389 -4.527 341 HG21 VAL 57 3HG2 VAL 57 -9.091 -1.001 -7.267 342 HG22 VAL 57 1HG2 VAL 57 -7.826 0.193 -6.926 343 HG23 VAL 57 2HG2 VAL 57 -8.426 -0.843 -5.627 344 H SER 58 H SER 58 -8.308 2.784 -6.139 345 HA SER 58 HA SER 58 -6.535 3.305 -8.381 346 HB3 SER 58 2HB SER 58 -8.241 5.160 -8.564 347 HG SER 58 HG SER 58 -7.982 6.799 -6.914 348 H GLU 59 H GLU 59 -4.785 5.067 -7.272 349 HA GLU 59 HA GLU 59 -3.434 3.858 -5.143 350 HB3 GLU 59 2HB GLU 59 -2.392 5.541 -6.543 351 HG3 GLU 59 2HG GLU 59 -2.734 7.986 -6.044 352 H ILE 60 H ILE 60 -6.274 5.918 -4.937 353 HA ILE 60 HA ILE 60 -5.999 6.895 -2.274 354 HB ILE 60 HB ILE 60 -8.202 6.500 -4.256 355 HG13 ILE 60 2HG1 ILE 60 -8.494 8.846 -4.086 356 HG21 ILE 60 1HG2 ILE 60 -9.414 5.682 -2.402 357 HG22 ILE 60 2HG2 ILE 60 -8.878 7.042 -1.375 358 HG23 ILE 60 3HG2 ILE 60 -9.951 7.314 -2.775 359 HD11 ILE 60 3HD1 ILE 60 -7.157 10.333 -2.705 360 HD12 ILE 60 1HD1 ILE 60 -8.095 9.265 -1.653 361 HD13 ILE 60 2HD1 ILE 60 -6.359 8.974 -1.904 362 H THR 61 H THR 61 -7.392 3.815 -3.373 363 HA THR 61 HA THR 61 -8.522 3.031 -0.910 364 HB THR 61 HB THR 61 -7.549 1.573 -3.377 365 HG1 THR 61 1HG THR 61 -9.418 2.718 -3.517 366 HG21 THR 61 3HG2 THR 61 -8.751 0.242 -0.914 367 HG22 THR 61 1HG2 THR 61 -7.241 -0.174 -1.747 368 HG23 THR 61 2HG2 THR 61 -8.792 -0.449 -2.551 369 H ILE 62 H ILE 62 -5.201 2.588 -2.007 370 HA ILE 62 HA ILE 62 -4.445 1.332 0.592 371 HB ILE 62 HB ILE 62 -3.648 0.296 -1.422 372 HG13 ILE 62 2HG1 ILE 62 -2.300 0.385 0.739 373 HG21 ILE 62 1HG2 ILE 62 -2.140 2.865 -2.062 374 HG22 ILE 62 2HG2 ILE 62 -2.025 1.322 -2.937 375 HG23 ILE 62 3HG2 ILE 62 -3.530 2.218 -2.962 376 HD11 ILE 62 3HD1 ILE 62 -0.608 -0.038 -1.757 377 HD12 ILE 62 1HD1 ILE 62 -0.362 -0.730 -0.147 378 HD13 ILE 62 2HD1 ILE 62 -1.764 -1.230 -1.109 379 H GLN 63 H GLN 63 -4.145 4.473 -1.044 380 HA GLN 63 HA GLN 63 -2.320 5.663 0.769 381 HB3 GLN 63 2HB GLN 63 -4.676 7.112 -0.495 382 HG3 GLN 63 2HG GLN 63 -1.798 7.910 0.111 383 HE21 GLN 63 1HE2 GLN 63 -3.997 10.423 0.535 384 HE22 GLN 63 2HE2 GLN 63 -3.617 11.249 -0.970 385 H GLU 64 H GLU 64 -5.921 5.611 1.004 386 HA GLU 64 HA GLU 64 -5.931 7.068 3.489 387 HB3 GLU 64 2HB GLU 64 -8.317 6.408 3.566 388 HG3 GLU 64 2HG GLU 64 -7.445 7.236 0.755 389 H ARG 65 H ARG 65 -5.519 3.641 2.832 390 HA ARG 65 HA ARG 65 -5.878 2.760 5.603 391 HB3 ARG 65 2HB ARG 65 -4.590 1.564 3.119 392 HG3 ARG 65 2HG ARG 65 -3.422 0.378 4.763 393 HD3 ARG 65 2HD ARG 65 -4.532 0.893 6.861 394 HE ARG 65 HE ARG 65 -6.984 0.325 5.906 395 HH11 ARG 65 1HH1 ARG 65 -5.083 -1.458 8.381 396 HH12 ARG 65 2HH1 ARG 65 -6.488 -1.622 9.396 397 HH21 ARG 65 1HH2 ARG 65 -8.748 -0.162 7.269 398 HH22 ARG 65 2HH2 ARG 65 -8.423 -0.745 8.878 399 H ILE 66 H ILE 66 -2.996 3.603 3.605 400 HA ILE 66 HA ILE 66 -1.163 3.229 5.854 401 HB ILE 66 HB ILE 66 -0.914 4.515 3.112 402 HG13 ILE 66 2HG1 ILE 66 -1.298 1.969 3.408 403 HG21 ILE 66 1HG2 ILE 66 1.528 4.531 3.406 404 HG22 ILE 66 2HG2 ILE 66 0.794 5.533 4.645 405 HG23 ILE 66 3HG2 ILE 66 1.361 3.892 5.049 406 HD11 ILE 66 3HD1 ILE 66 1.353 2.639 2.107 407 HD12 ILE 66 1HD1 ILE 66 0.253 1.283 1.777 408 HD13 ILE 66 2HD1 ILE 66 -0.249 2.927 1.375 409 H ALA 67 H ALA 67 -2.822 6.086 4.547 410 HA ALA 67 HA ALA 67 -1.493 8.010 6.151 411 HB1 ALA 67 1HB ALA 67 -3.253 9.495 5.370 412 HB2 ALA 67 2HB ALA 67 -2.734 8.462 4.051 413 HB3 ALA 67 3HB ALA 67 -4.265 8.116 4.889 414 H ALA 68 H ALA 68 -4.622 6.304 6.711 415 HA ALA 68 HA ALA 68 -5.219 7.544 9.211 416 HB1 ALA 68 1HB ALA 68 -6.843 5.698 9.407 417 HB2 ALA 68 2HB ALA 68 -6.853 6.383 7.768 418 HB3 ALA 68 3HB ALA 68 -6.042 4.832 8.079 419 H LEU 69 H LEU 69 -3.262 4.653 8.463 420 HA LEU 69 HA LEU 69 -2.826 3.915 11.238 421 HB3 LEU 69 2HB LEU 69 -0.974 2.536 10.230 422 HG LEU 69 HG LEU 69 -3.771 2.282 9.031 423 HD11 LEU 69 1HD1 LEU 69 -2.035 1.100 7.703 424 HD12 LEU 69 2HD1 LEU 69 -3.138 -0.010 8.531 425 HD13 LEU 69 3HD1 LEU 69 -1.512 0.259 9.185 426 HD21 LEU 69 3HD2 LEU 69 -3.857 2.060 11.473 427 HD22 LEU 69 1HD2 LEU 69 -2.485 0.930 11.445 428 HD23 LEU 69 2HD2 LEU 69 -4.045 0.477 10.727 429 H GLY 70 H GLY 70 -1.641 6.602 9.554 430 HA2 GLY 70 2HA GLY 70 -0.594 8.340 10.799 431 HA3 GLY 70 3HA GLY 70 0.279 7.139 11.780 432 H TYR 71 H TYR 71 0.378 6.341 8.495 433 HA TYR 71 HA TYR 71 3.179 7.339 8.162 434 HB3 TYR 71 2HB TYR 71 3.405 5.322 6.753 435 HD1 TYR 71 1HD TYR 71 4.785 5.504 9.009 436 HD2 TYR 71 2HD TYR 71 0.943 3.606 8.696 437 HE1 TYR 71 1HE TYR 71 5.174 4.384 11.199 438 HE2 TYR 71 2HE TYR 71 1.294 2.522 10.909 439 HH TYR 71 HH TYR 71 2.603 2.415 12.756 440 H THR 72 H THR 72 3.625 7.273 5.509 441 HA THR 72 HA THR 72 1.268 8.140 3.953 442 HB THR 72 HB THR 72 2.589 10.073 2.933 443 HG1 THR 72 1HG THR 72 4.093 11.026 4.235 444 HG21 THR 72 3HG2 THR 72 0.590 10.356 4.476 445 HG22 THR 72 1HG2 THR 72 1.727 11.709 4.403 446 HG23 THR 72 2HG2 THR 72 1.754 10.615 5.797 447 H LEU 73 H LEU 73 1.302 7.072 2.071 448 HA LEU 73 HA LEU 73 3.745 5.834 1.097 449 HB3 LEU 73 2HB LEU 73 1.470 4.856 0.888 450 HG LEU 73 HG LEU 73 0.349 6.926 -0.236 451 HD11 LEU 73 1HD1 LEU 73 0.289 6.705 -2.781 452 HD12 LEU 73 2HD1 LEU 73 1.761 5.721 -2.661 453 HD13 LEU 73 3HD1 LEU 73 1.752 7.426 -2.155 454 HD21 LEU 73 3HD2 LEU 73 0.030 4.185 -1.535 455 HD22 LEU 73 1HD2 LEU 73 -1.191 5.457 -1.449 456 HD23 LEU 73 2HD2 LEU 73 -0.649 4.639 0.028 457 H ALA 74 H ALA 74 4.708 6.111 -0.955 458 HA ALA 74 HA ALA 74 3.856 8.452 -2.520 459 HB1 ALA 74 1HB ALA 74 6.790 7.906 -1.908 460 HB2 ALA 74 2HB ALA 74 6.183 9.081 -3.088 461 HB3 ALA 74 3HB ALA 74 5.834 9.290 -1.360 462 H GLU 75 H GLU 75 3.438 7.942 -4.512 463 HA GLU 75 HA GLU 75 4.849 5.789 -5.968 464 HB3 GLU 75 2HB GLU 75 1.805 5.824 -5.897 465 HG3 GLU 75 2HG GLU 75 2.098 3.453 -6.597 466 HA PRO 76 HA PRO 76 4.296 10.057 -7.492 467 HB3 PRO 76 2HB PRO 76 6.372 10.951 -7.941 468 HG3 PRO 76 2HG PRO 76 6.728 9.755 -5.918 469 HD3 PRO 76 2HD PRO 76 6.284 7.456 -5.775 Start of MODEL 27 1 H2 PRO 6 2H PRO 6 -9.189 -6.131 -15.635 2 HA PRO 6 HA PRO 6 -6.529 -6.824 -16.399 3 HB3 PRO 6 2HB PRO 6 -5.978 -5.030 -17.815 4 HG3 PRO 6 2HG PRO 6 -7.425 -6.597 -18.980 5 HD3 PRO 6 2HD PRO 6 -9.647 -6.980 -18.167 6 H LEU 7 H LEU 7 -5.090 -6.142 -14.891 7 HA LEU 7 HA LEU 7 -5.609 -3.979 -13.035 8 HB3 LEU 7 2HB LEU 7 -7.072 -5.778 -12.110 9 HG LEU 7 HG LEU 7 -4.466 -7.195 -11.376 10 HD11 LEU 7 1HD1 LEU 7 -6.121 -6.975 -9.542 11 HD12 LEU 7 2HD1 LEU 7 -5.918 -8.657 -10.057 12 HD13 LEU 7 3HD1 LEU 7 -7.355 -7.744 -10.565 13 HD21 LEU 7 3HD2 LEU 7 -5.118 -7.989 -13.586 14 HD22 LEU 7 1HD2 LEU 7 -6.812 -8.153 -13.066 15 HD23 LEU 7 2HD2 LEU 7 -5.556 -9.218 -12.399 16 H LYS 8 H LYS 8 -3.761 -3.297 -11.968 17 HA LYS 8 HA LYS 8 -1.297 -4.465 -13.192 18 HB3 LYS 8 2HB LYS 8 -1.938 -2.379 -14.216 19 HG3 LYS 8 2HG LYS 8 -1.616 -1.101 -11.457 20 HD3 LYS 8 2HD LYS 8 -2.007 0.151 -14.212 21 HE3 LYS 8 2HE LYS 8 -1.734 1.322 -11.411 22 HZ1 LYS 8 3HZ LYS 8 -1.614 2.666 -14.047 23 HZ2 LYS 8 1HZ LYS 8 -0.439 2.621 -12.924 24 HZ3 LYS 8 2HZ LYS 8 -1.809 3.463 -12.608 25 H THR 9 H THR 9 0.584 -4.613 -12.118 26 HA THR 9 HA THR 9 0.537 -4.516 -9.137 27 HB THR 9 HB THR 9 2.506 -5.852 -11.037 28 HG1 THR 9 1HG THR 9 0.417 -6.983 -9.481 29 HG21 THR 9 3HG2 THR 9 3.542 -5.499 -8.858 30 HG22 THR 9 1HG2 THR 9 3.087 -7.199 -8.999 31 HG23 THR 9 2HG2 THR 9 2.094 -6.096 -8.018 32 H GLN 10 H GLN 10 2.048 -3.198 -7.995 33 HA GLN 10 HA GLN 10 4.154 -1.794 -9.462 34 HB3 GLN 10 2HB GLN 10 1.854 -0.270 -8.176 35 HG3 GLN 10 2HG GLN 10 3.985 1.022 -8.169 36 HE21 GLN 10 1HE2 GLN 10 4.792 2.933 -9.896 37 HE22 GLN 10 2HE2 GLN 10 5.564 2.244 -11.312 38 H GLN 11 H GLN 11 5.798 -1.229 -8.162 39 HA GLN 11 HA GLN 11 5.702 -1.687 -5.261 40 HB3 GLN 11 2HB GLN 11 7.977 -0.615 -6.988 41 HG3 GLN 11 2HG GLN 11 7.954 -2.229 -4.411 42 HE21 GLN 11 1HE2 GLN 11 9.429 -3.704 -5.754 43 HE22 GLN 11 2HE2 GLN 11 11.111 -3.228 -5.898 44 H MET 12 H MET 12 5.999 -0.014 -3.678 45 HA MET 12 HA MET 12 6.264 2.765 -4.576 46 HB3 MET 12 2HB MET 12 3.841 2.417 -4.704 47 HG3 MET 12 2HG MET 12 4.069 1.784 -1.741 48 HE1 MET 12 3HE MET 12 0.070 2.553 -3.945 49 HE2 MET 12 1HE MET 12 1.614 3.084 -4.630 50 HE3 MET 12 2HE MET 12 1.273 1.347 -4.454 51 H GLN 13 H GLN 13 6.408 4.284 -2.768 52 HA GLN 13 HA GLN 13 7.991 3.127 -0.528 53 HB3 GLN 13 2HB GLN 13 8.675 5.593 -0.275 54 HG3 GLN 13 2HG GLN 13 9.373 4.137 -2.862 55 HE21 GLN 13 1HE2 GLN 13 9.386 6.115 -4.129 56 HE22 GLN 13 2HE2 GLN 13 10.596 7.365 -3.783 57 H VAL 14 H VAL 14 7.727 4.128 1.563 58 HA VAL 14 HA VAL 14 5.144 5.312 2.266 59 HB VAL 14 HB VAL 14 4.415 3.042 1.985 60 HG11 VAL 14 1HG1 VAL 14 5.307 1.126 3.182 61 HG12 VAL 14 2HG1 VAL 14 6.530 1.819 2.124 62 HG13 VAL 14 3HG1 VAL 14 6.599 2.133 3.875 63 HG21 VAL 14 3HG2 VAL 14 3.452 2.556 4.112 64 HG22 VAL 14 1HG2 VAL 14 4.718 3.459 4.974 65 HG23 VAL 14 2HG2 VAL 14 3.546 4.313 3.956 66 H GLY 15 H GLY 15 5.133 6.291 4.180 67 HA2 GLY 15 2HA GLY 15 7.740 6.857 5.359 68 HA3 GLY 15 3HA GLY 15 6.209 7.702 5.656 69 H GLY 16 H GLY 16 6.833 4.206 6.289 70 HA2 GLY 16 2HA GLY 16 7.594 4.326 8.923 71 HA3 GLY 16 3HA GLY 16 5.871 4.563 9.058 72 H MET 17 H MET 17 6.927 2.270 6.583 73 HA MET 17 HA MET 17 5.734 0.074 8.211 74 HB3 MET 17 2HB MET 17 5.780 -1.163 6.030 75 HG3 MET 17 2HG MET 17 4.025 0.184 4.921 76 HE1 MET 17 3HE MET 17 2.584 1.781 7.888 77 HE2 MET 17 1HE MET 17 2.241 0.503 9.075 78 HE3 MET 17 2HE MET 17 3.905 1.051 8.823 79 H ARG 18 H ARG 18 8.876 1.145 7.931 80 HA ARG 18 HA ARG 18 10.251 -1.288 7.492 81 HB3 ARG 18 2HB ARG 18 11.255 0.856 7.130 82 HG3 ARG 18 2HG ARG 18 11.632 1.192 10.129 83 HD3 ARG 18 2HD ARG 18 12.154 3.531 9.486 84 HE ARG 18 HE ARG 18 14.173 2.350 9.598 85 HH11 ARG 18 1HH1 ARG 18 12.996 2.436 6.238 86 HH12 ARG 18 2HH1 ARG 18 14.568 2.003 5.620 87 HH21 ARG 18 1HH2 ARG 18 16.111 1.745 8.688 88 HH22 ARG 18 2HH2 ARG 18 16.249 1.494 6.961 89 H CYS 19 H CYS 19 8.227 -1.692 9.521 90 HA CYS 19 HA CYS 19 9.750 -3.269 11.481 91 HB3 CYS 19 2HB CYS 19 7.608 -1.236 12.285 92 HG CYS 19 HG CYS 19 7.951 -1.809 14.782 93 H ALA 20 H ALA 20 8.847 -5.270 11.529 94 HA ALA 20 HA ALA 20 6.739 -5.987 9.771 95 HB1 ALA 20 1HB ALA 20 7.040 -8.233 10.726 96 HB2 ALA 20 2HB ALA 20 8.612 -7.488 10.420 97 HB3 ALA 20 3HB ALA 20 7.973 -7.571 12.074 98 H ALA 21 H ALA 21 6.699 -5.506 13.308 99 HA ALA 21 HA ALA 21 4.022 -6.247 13.835 100 HB1 ALA 21 1HB ALA 21 5.738 -4.040 15.075 101 HB2 ALA 21 2HB ALA 21 4.292 -4.765 15.801 102 HB3 ALA 21 3HB ALA 21 5.738 -5.756 15.549 103 H CYS 22 H CYS 22 5.186 -3.365 12.138 104 HA CYS 22 HA CYS 22 2.457 -2.179 12.207 105 HB3 CYS 22 2HB CYS 22 3.598 -0.183 11.230 106 HG CYS 22 HG CYS 22 5.236 0.637 13.134 107 H ALA 23 H ALA 23 4.754 -3.565 9.902 108 HA ALA 23 HA ALA 23 3.476 -3.205 7.466 109 HB1 ALA 23 1HB ALA 23 5.607 -4.366 7.849 110 HB2 ALA 23 2HB ALA 23 4.744 -5.741 8.580 111 HB3 ALA 23 3HB ALA 23 4.499 -5.364 6.880 112 H SER 24 H SER 24 2.487 -5.439 10.096 113 HA SER 24 HA SER 24 0.582 -6.968 8.579 114 HB3 SER 24 2HB SER 24 -0.255 -7.739 10.691 115 HG SER 24 HG SER 24 1.862 -7.709 11.998 116 H SER 25 H SER 25 0.249 -3.844 10.273 117 HA SER 25 HA SER 25 -2.639 -3.918 10.343 118 HB3 SER 25 2HB SER 25 -2.499 -1.720 11.307 119 HG SER 25 HG SER 25 -1.391 -2.312 13.033 120 H ILE 26 H ILE 26 -0.337 -2.954 8.006 121 HA ILE 26 HA ILE 26 -2.386 -1.786 6.180 122 HB ILE 26 HB ILE 26 0.620 -2.114 6.090 123 HG13 ILE 26 2HG1 ILE 26 -1.137 0.168 5.081 124 HG21 ILE 26 1HG2 ILE 26 0.626 -1.511 3.669 125 HG22 ILE 26 2HG2 ILE 26 0.035 -3.134 3.953 126 HG23 ILE 26 3HG2 ILE 26 -1.122 -1.824 3.607 127 HD11 ILE 26 3HD1 ILE 26 0.235 -0.071 7.781 128 HD12 ILE 26 1HD1 ILE 26 -0.327 1.453 7.059 129 HD13 ILE 26 2HD1 ILE 26 -1.496 0.179 7.466 130 H GLU 27 H GLU 27 -0.192 -4.656 6.286 131 HA GLU 27 HA GLU 27 -1.216 -5.520 3.812 132 HB3 GLU 27 2HB GLU 27 0.247 -7.382 5.705 133 HG3 GLU 27 2HG GLU 27 0.557 -6.778 2.721 134 H ARG 28 H ARG 28 -2.279 -6.444 7.099 135 HA ARG 28 HA ARG 28 -3.742 -8.780 6.338 136 HB3 ARG 28 2HB ARG 28 -4.382 -6.862 8.613 137 HG3 ARG 28 2HG ARG 28 -4.818 -9.866 8.268 138 HD3 ARG 28 2HD ARG 28 -5.719 -7.940 10.440 139 HE ARG 28 HE ARG 28 -6.529 -10.694 9.783 140 HH11 ARG 28 1HH1 ARG 28 -6.435 -8.277 12.363 141 HH12 ARG 28 2HH1 ARG 28 -7.768 -9.019 13.221 142 HH21 ARG 28 1HH2 ARG 28 -8.191 -11.641 10.964 143 HH22 ARG 28 2HH2 ARG 28 -8.670 -10.954 12.487 144 H ALA 29 H ALA 29 -4.826 -5.352 6.556 145 HA ALA 29 HA ALA 29 -7.468 -5.985 5.444 146 HB1 ALA 29 1HB ALA 29 -7.321 -4.154 7.008 147 HB2 ALA 29 2HB ALA 29 -6.019 -3.391 6.074 148 HB3 ALA 29 3HB ALA 29 -7.669 -3.467 5.407 149 H LEU 30 H LEU 30 -4.382 -4.751 4.104 150 HA LEU 30 HA LEU 30 -5.444 -3.504 1.841 151 HB3 LEU 30 2HB LEU 30 -2.736 -4.825 2.244 152 HG LEU 30 HG LEU 30 -2.974 -4.285 -0.136 153 HD11 LEU 30 1HD1 LEU 30 -3.731 -1.480 0.802 154 HD12 LEU 30 2HD1 LEU 30 -4.753 -2.614 -0.109 155 HD13 LEU 30 3HD1 LEU 30 -3.333 -1.933 -0.876 156 HD21 LEU 30 3HD2 LEU 30 -1.310 -2.151 1.269 157 HD22 LEU 30 1HD2 LEU 30 -1.038 -2.844 -0.342 158 HD23 LEU 30 2HD2 LEU 30 -0.820 -3.849 1.099 159 H GLU 31 H GLU 31 -4.587 -6.973 2.147 160 HA GLU 31 HA GLU 31 -5.058 -7.527 -0.657 161 HB3 GLU 31 2HB GLU 31 -3.668 -8.950 0.881 162 HG3 GLU 31 2HG GLU 31 -6.364 -10.037 1.804 163 H ARG 32 H ARG 32 -7.183 -6.751 1.864 164 HA ARG 32 HA ARG 32 -9.439 -8.291 0.760 165 HB3 ARG 32 2HB ARG 32 -10.539 -7.800 2.970 166 HG3 ARG 32 2HG ARG 32 -7.849 -9.186 3.227 167 HD3 ARG 32 2HD ARG 32 -10.422 -9.403 4.830 168 HE ARG 32 HE ARG 32 -8.028 -11.098 5.315 169 HH11 ARG 32 1HH1 ARG 32 -11.419 -11.061 4.263 170 HH12 ARG 32 2HH1 ARG 32 -11.617 -12.767 4.537 171 HH21 ARG 32 1HH2 ARG 32 -8.347 -13.325 5.585 172 HH22 ARG 32 2HH2 ARG 32 -9.922 -14.002 5.250 173 H LEU 33 H LEU 33 -8.265 -5.023 0.897 174 HA LEU 33 HA LEU 33 -10.744 -3.562 0.695 175 HB3 LEU 33 2HB LEU 33 -9.385 -1.849 -0.477 176 HG LEU 33 HG LEU 33 -7.706 -3.010 1.775 177 HD11 LEU 33 1HD1 LEU 33 -6.686 -0.831 1.938 178 HD12 LEU 33 2HD1 LEU 33 -7.790 -0.158 0.723 179 HD13 LEU 33 3HD1 LEU 33 -6.570 -1.348 0.245 180 HD21 LEU 33 3HD2 LEU 33 -9.872 -0.867 1.874 181 HD22 LEU 33 1HD2 LEU 33 -8.787 -1.301 3.210 182 HD23 LEU 33 2HD2 LEU 33 -9.964 -2.484 2.612 183 H LYS 34 H LYS 34 -12.336 -3.802 -0.739 184 HA LYS 34 HA LYS 34 -12.012 -5.507 -3.034 185 HB3 LYS 34 2HB LYS 34 -14.384 -4.806 -3.494 186 HG3 LYS 34 2HG LYS 34 -15.423 -5.720 -1.508 187 HD3 LYS 34 2HD LYS 34 -12.742 -7.156 -1.749 188 HE3 LYS 34 2HE LYS 34 -15.573 -8.081 -1.096 189 HZ1 LYS 34 3HZ LYS 34 -14.402 -10.255 -0.801 190 HZ2 LYS 34 1HZ LYS 34 -13.092 -9.638 -1.548 191 HZ3 LYS 34 2HZ LYS 34 -14.527 -9.783 -2.363 192 H GLY 35 H GLY 35 -11.313 -5.156 -4.974 193 HA2 GLY 35 2HA GLY 35 -10.896 -3.863 -6.966 194 HA3 GLY 35 3HA GLY 35 -10.872 -2.371 -5.998 195 H VAL 36 H VAL 36 -9.163 -4.124 -3.959 196 HA VAL 36 HA VAL 36 -6.560 -4.080 -5.432 197 HB VAL 36 HB VAL 36 -7.031 -4.082 -2.420 198 HG11 VAL 36 1HG1 VAL 36 -4.560 -3.661 -2.337 199 HG12 VAL 36 2HG1 VAL 36 -4.952 -5.244 -3.004 200 HG13 VAL 36 3HG1 VAL 36 -4.490 -3.916 -4.090 201 HG21 VAL 36 3HG2 VAL 36 -6.071 -1.790 -2.461 202 HG22 VAL 36 1HG2 VAL 36 -6.063 -1.828 -4.238 203 HG23 VAL 36 2HG2 VAL 36 -7.598 -1.868 -3.342 204 H ALA 37 H ALA 37 -5.571 -6.010 -5.700 205 HA ALA 37 HA ALA 37 -7.195 -8.415 -4.958 206 HB1 ALA 37 1HB ALA 37 -5.340 -7.917 -7.321 207 HB2 ALA 37 2HB ALA 37 -6.445 -9.290 -7.075 208 HB3 ALA 37 3HB ALA 37 -7.107 -7.674 -7.323 209 H GLU 38 H GLU 38 -3.799 -7.243 -4.920 210 HA GLU 38 HA GLU 38 -3.055 -9.423 -3.156 211 HB3 GLU 38 2HB GLU 38 -1.627 -9.307 -5.823 212 HG3 GLU 38 2HG GLU 38 -1.737 -11.514 -3.726 213 H ALA 39 H ALA 39 -1.287 -8.820 -1.826 214 HA ALA 39 HA ALA 39 0.513 -6.652 -2.698 215 HB1 ALA 39 1HB ALA 39 -1.435 -6.256 -0.391 216 HB2 ALA 39 2HB ALA 39 -0.179 -5.114 -0.928 217 HB3 ALA 39 3HB ALA 39 -1.555 -5.472 -1.984 218 H SER 40 H SER 40 2.137 -6.032 -1.139 219 HA SER 40 HA SER 40 2.630 -7.748 1.188 220 HB3 SER 40 2HB SER 40 4.316 -8.000 -1.309 221 HG SER 40 HG SER 40 5.862 -8.468 -0.029 222 H VAL 41 H VAL 41 3.936 -6.774 2.685 223 HA VAL 41 HA VAL 41 5.351 -4.241 1.968 224 HB VAL 41 HB VAL 41 4.809 -5.543 4.663 225 HG11 VAL 41 1HG1 VAL 41 6.853 -4.173 4.802 226 HG12 VAL 41 2HG1 VAL 41 6.022 -2.817 4.003 227 HG13 VAL 41 3HG1 VAL 41 5.525 -3.358 5.619 228 HG21 VAL 41 3HG2 VAL 41 3.208 -3.711 5.024 229 HG22 VAL 41 1HG2 VAL 41 3.542 -3.073 3.406 230 HG23 VAL 41 2HG2 VAL 41 2.740 -4.647 3.602 231 H THR 42 H THR 42 7.497 -4.142 1.743 232 HA THR 42 HA THR 42 9.293 -6.405 2.488 233 HB THR 42 HB THR 42 9.897 -3.834 0.969 234 HG1 THR 42 1HG THR 42 10.008 -5.273 -0.774 235 HG21 THR 42 3HG2 THR 42 11.518 -6.397 1.363 236 HG22 THR 42 1HG2 THR 42 11.893 -4.820 2.100 237 HG23 THR 42 2HG2 THR 42 11.978 -5.012 0.350 238 H VAL 43 H VAL 43 9.628 -6.297 4.653 239 HA VAL 43 HA VAL 43 9.366 -3.836 6.139 240 HB VAL 43 HB VAL 43 10.275 -6.602 7.010 241 HG11 VAL 43 1HG1 VAL 43 11.063 -4.949 8.663 242 HG12 VAL 43 2HG1 VAL 43 9.440 -4.224 8.716 243 HG13 VAL 43 3HG1 VAL 43 9.725 -5.880 9.303 244 HG21 VAL 43 3HG2 VAL 43 7.593 -5.179 7.193 245 HG22 VAL 43 1HG2 VAL 43 7.964 -6.557 6.139 246 HG23 VAL 43 2HG2 VAL 43 7.957 -6.774 7.891 247 H ALA 44 H ALA 44 12.252 -5.766 5.146 248 HA ALA 44 HA ALA 44 14.099 -4.445 6.871 249 HB1 ALA 44 1HB ALA 44 15.803 -5.533 5.448 250 HB2 ALA 44 2HB ALA 44 14.502 -6.650 5.863 251 HB3 ALA 44 3HB ALA 44 14.559 -5.917 4.243 252 H THR 45 H THR 45 12.644 -3.228 4.018 253 HA THR 45 HA THR 45 14.524 -0.898 3.969 254 HB THR 45 HB THR 45 13.735 -0.560 1.619 255 HG1 THR 45 1HG THR 45 12.654 -2.395 0.684 256 HG21 THR 45 3HG2 THR 45 15.854 -1.816 2.135 257 HG22 THR 45 1HG2 THR 45 15.085 -2.285 0.618 258 HG23 THR 45 2HG2 THR 45 14.933 -3.338 2.036 259 H GLY 46 H GLY 46 11.220 -1.996 4.306 260 HA2 GLY 46 2HA GLY 46 9.304 -0.930 4.927 261 HA3 GLY 46 3HA GLY 46 10.181 0.604 5.101 262 H ARG 47 H ARG 47 9.639 -1.632 2.334 263 HA ARG 47 HA ARG 47 8.260 0.590 0.853 264 HB3 ARG 47 2HB ARG 47 8.895 -0.503 -1.246 265 HG3 ARG 47 2HG ARG 47 11.443 0.110 0.266 266 HD3 ARG 47 2HD ARG 47 10.445 0.390 -2.603 267 HE ARG 47 HE ARG 47 12.555 1.929 -1.256 268 HH11 ARG 47 1HH1 ARG 47 11.418 0.855 -4.456 269 HH12 ARG 47 2HH1 ARG 47 12.066 2.275 -5.238 270 HH21 ARG 47 1HH2 ARG 47 13.580 3.521 -2.333 271 HH22 ARG 47 2HH2 ARG 47 13.456 3.671 -4.063 272 H LEU 48 H LEU 48 6.711 -0.225 -0.781 273 HA LEU 48 HA LEU 48 5.160 -2.614 0.166 274 HB3 LEU 48 2HB LEU 48 3.384 -0.789 -1.087 275 HG LEU 48 HG LEU 48 3.937 -1.227 1.874 276 HD11 LEU 48 1HD1 LEU 48 2.945 0.992 1.512 277 HD12 LEU 48 2HD1 LEU 48 1.733 -0.101 2.200 278 HD13 LEU 48 3HD1 LEU 48 1.700 0.282 0.461 279 HD21 LEU 48 3HD2 LEU 48 1.749 -2.249 -0.021 280 HD22 LEU 48 1HD2 LEU 48 1.782 -2.515 1.733 281 HD23 LEU 48 2HD2 LEU 48 3.035 -3.223 0.716 282 H THR 49 H THR 49 3.844 -3.630 -1.411 283 HA THR 49 HA THR 49 4.147 -2.979 -4.294 284 HB THR 49 HB THR 49 4.482 -5.816 -3.222 285 HG1 THR 49 1HG THR 49 6.358 -4.851 -2.878 286 HG21 THR 49 3HG2 THR 49 4.675 -4.628 -6.038 287 HG22 THR 49 1HG2 THR 49 3.422 -5.750 -5.452 288 HG23 THR 49 2HG2 THR 49 5.094 -6.297 -5.593 289 H VAL 50 H VAL 50 2.235 -3.102 -5.258 290 HA VAL 50 HA VAL 50 -0.002 -4.610 -3.992 291 HB VAL 50 HB VAL 50 -0.049 -2.382 -2.977 292 HG11 VAL 50 1HG1 VAL 50 -0.544 -0.354 -4.257 293 HG12 VAL 50 2HG1 VAL 50 1.019 -1.030 -4.739 294 HG13 VAL 50 3HG1 VAL 50 -0.402 -1.239 -5.783 295 HG21 VAL 50 3HG2 VAL 50 -2.165 -3.586 -3.401 296 HG22 VAL 50 1HG2 VAL 50 -2.384 -1.828 -3.441 297 HG23 VAL 50 2HG2 VAL 50 -2.344 -2.736 -4.954 298 H THR 51 H THR 51 -1.489 -5.390 -5.338 299 HA THR 51 HA THR 51 -1.432 -4.735 -8.253 300 HB THR 51 HB THR 51 -2.269 -7.323 -6.859 301 HG1 THR 51 1HG THR 51 -0.045 -7.157 -7.034 302 HG21 THR 51 3HG2 THR 51 -2.471 -8.175 -9.217 303 HG22 THR 51 1HG2 THR 51 -2.192 -6.533 -9.832 304 HG23 THR 51 2HG2 THR 51 -3.646 -6.902 -8.889 305 H TYR 52 H TYR 52 -3.138 -3.547 -8.871 306 HA TYR 52 HA TYR 52 -5.776 -3.905 -7.554 307 HB3 TYR 52 2HB TYR 52 -4.532 -2.162 -6.299 308 HD1 TYR 52 2HD TYR 52 -2.328 -1.369 -7.179 309 HD2 TYR 52 1HD TYR 52 -6.049 0.086 -8.793 310 HE1 TYR 52 2HE TYR 52 -1.140 0.608 -8.119 311 HE2 TYR 52 1HE TYR 52 -4.863 2.050 -9.755 312 HH TYR 52 HH TYR 52 -1.348 2.623 -9.307 313 H ASP 53 H ASP 53 -7.596 -2.963 -8.641 314 HA ASP 53 HA ASP 53 -7.367 -3.097 -11.560 315 HB3 ASP 53 2HB ASP 53 -9.755 -2.970 -9.687 316 HA PRO 54 HA PRO 54 -7.027 1.394 -11.164 317 HB3 PRO 54 2HB PRO 54 -5.216 1.128 -12.578 318 HG3 PRO 54 2HG PRO 54 -5.323 -0.330 -14.492 319 HD3 PRO 54 2HD PRO 54 -5.714 -1.600 -12.543 320 H LYS 55 H LYS 55 -9.663 -0.053 -12.012 321 HA LYS 55 HA LYS 55 -11.068 2.401 -13.052 322 HB3 LYS 55 2HB LYS 55 -12.724 0.761 -14.106 323 HG3 LYS 55 2HG LYS 55 -11.232 0.078 -16.054 324 HD3 LYS 55 2HD LYS 55 -11.236 3.000 -15.186 325 HE3 LYS 55 2HE LYS 55 -11.175 3.443 -17.652 326 HZ1 LYS 55 3HZ LYS 55 -8.734 1.990 -16.846 327 HZ2 LYS 55 1HZ LYS 55 -9.100 3.518 -16.290 328 HZ3 LYS 55 2HZ LYS 55 -8.873 3.241 -17.892 329 H GLN 56 H GLN 56 -11.219 -0.535 -11.040 330 HA GLN 56 HA GLN 56 -13.544 0.398 -9.523 331 HB3 GLN 56 2HB GLN 56 -12.790 -1.323 -7.878 332 HG3 GLN 56 2HG GLN 56 -12.812 -2.320 -10.763 333 HE21 GLN 56 1HE2 GLN 56 -14.179 -3.234 -7.521 334 HE22 GLN 56 2HE2 GLN 56 -13.802 -4.942 -7.730 335 H VAL 57 H VAL 57 -9.962 0.747 -9.141 336 HA VAL 57 HA VAL 57 -10.445 2.873 -7.132 337 HB VAL 57 HB VAL 57 -8.921 1.962 -5.497 338 HG11 VAL 57 1HG1 VAL 57 -10.194 0.070 -4.588 339 HG12 VAL 57 2HG1 VAL 57 -11.273 1.339 -5.170 340 HG13 VAL 57 3HG1 VAL 57 -11.036 -0.140 -6.124 341 HG21 VAL 57 3HG2 VAL 57 -7.410 0.632 -6.906 342 HG22 VAL 57 1HG2 VAL 57 -8.061 -0.370 -5.610 343 HG23 VAL 57 2HG2 VAL 57 -8.710 -0.529 -7.255 344 H SER 58 H SER 58 -8.307 3.825 -6.387 345 HA SER 58 HA SER 58 -6.080 3.611 -8.337 346 HB3 SER 58 2HB SER 58 -5.809 6.154 -8.151 347 HG SER 58 HG SER 58 -7.217 6.534 -9.847 348 H GLU 59 H GLU 59 -4.198 5.113 -7.215 349 HA GLU 59 HA GLU 59 -3.453 3.860 -4.847 350 HB3 GLU 59 2HB GLU 59 -1.768 4.767 -6.045 351 HG3 GLU 59 2HG GLU 59 -3.021 6.658 -7.223 352 H ILE 60 H ILE 60 -5.630 6.519 -5.050 353 HA ILE 60 HA ILE 60 -5.971 7.534 -2.487 354 HB ILE 60 HB ILE 60 -7.896 6.606 -4.651 355 HG13 ILE 60 2HG1 ILE 60 -6.409 8.524 -5.099 356 HG21 ILE 60 1HG2 ILE 60 -9.226 6.360 -2.681 357 HG22 ILE 60 2HG2 ILE 60 -8.657 7.916 -2.020 358 HG23 ILE 60 3HG2 ILE 60 -9.716 7.854 -3.447 359 HD11 ILE 60 3HD1 ILE 60 -8.714 8.584 -6.080 360 HD12 ILE 60 1HD1 ILE 60 -9.198 9.629 -4.717 361 HD13 ILE 60 2HD1 ILE 60 -7.949 10.166 -5.843 362 H THR 61 H THR 61 -7.040 4.264 -3.546 363 HA THR 61 HA THR 61 -8.446 3.721 -1.060 364 HB THR 61 HB THR 61 -7.672 2.139 -3.513 365 HG1 THR 61 1HG THR 61 -9.484 3.411 -3.654 366 HG21 THR 61 3HG2 THR 61 -7.520 0.415 -1.789 367 HG22 THR 61 1HG2 THR 61 -9.082 0.255 -2.592 368 HG23 THR 61 2HG2 THR 61 -8.991 1.018 -0.992 369 H ILE 62 H ILE 62 -5.231 2.706 -2.215 370 HA ILE 62 HA ILE 62 -4.613 1.311 0.312 371 HB ILE 62 HB ILE 62 -3.613 0.542 -1.740 372 HG13 ILE 62 2HG1 ILE 62 -2.346 0.450 0.465 373 HG21 ILE 62 1HG2 ILE 62 -2.296 3.280 -1.985 374 HG22 ILE 62 2HG2 ILE 62 -1.980 1.878 -3.033 375 HG23 ILE 62 3HG2 ILE 62 -3.570 2.623 -3.032 376 HD11 ILE 62 3HD1 ILE 62 -1.538 -0.797 -1.593 377 HD12 ILE 62 1HD1 ILE 62 -0.459 0.572 -1.918 378 HD13 ILE 62 2HD1 ILE 62 -0.287 -0.366 -0.425 379 H GLN 63 H GLN 63 -4.202 4.613 -0.920 380 HA GLN 63 HA GLN 63 -2.683 5.570 1.291 381 HB3 GLN 63 2HB GLN 63 -4.797 7.126 -0.239 382 HG3 GLN 63 2HG GLN 63 -2.154 7.886 1.065 383 HE21 GLN 63 1HE2 GLN 63 -5.126 9.525 -0.223 384 HE22 GLN 63 2HE2 GLN 63 -4.248 10.676 -1.192 385 H GLU 64 H GLU 64 -6.280 5.198 0.964 386 HA GLU 64 HA GLU 64 -6.960 6.430 3.387 387 HB3 GLU 64 2HB GLU 64 -8.849 4.471 3.292 388 HG3 GLU 64 2HG GLU 64 -10.001 5.835 1.491 389 H ARG 65 H ARG 65 -5.559 3.233 2.995 390 HA ARG 65 HA ARG 65 -5.852 2.482 5.826 391 HB3 ARG 65 2HB ARG 65 -4.115 1.376 3.565 392 HG3 ARG 65 2HG ARG 65 -3.632 0.670 6.108 393 HD3 ARG 65 2HD ARG 65 -4.763 -1.425 6.668 394 HE ARG 65 HE ARG 65 -6.947 0.551 6.126 395 HH11 ARG 65 1HH1 ARG 65 -5.045 -1.084 8.693 396 HH12 ARG 65 2HH1 ARG 65 -6.057 -0.340 9.918 397 HH21 ARG 65 1HH2 ARG 65 -8.024 1.408 7.649 398 HH22 ARG 65 2HH2 ARG 65 -7.658 1.185 9.344 399 H ILE 66 H ILE 66 -3.106 3.472 3.739 400 HA ILE 66 HA ILE 66 -1.178 3.403 5.896 401 HB ILE 66 HB ILE 66 -1.146 4.753 3.168 402 HG13 ILE 66 2HG1 ILE 66 -1.330 2.142 3.424 403 HG21 ILE 66 1HG2 ILE 66 1.169 4.253 5.094 404 HG22 ILE 66 2HG2 ILE 66 1.330 4.828 3.418 405 HG23 ILE 66 3HG2 ILE 66 0.536 5.845 4.609 406 HD11 ILE 66 3HD1 ILE 66 -0.635 3.292 1.345 407 HD12 ILE 66 1HD1 ILE 66 1.067 3.154 1.871 408 HD13 ILE 66 2HD1 ILE 66 0.085 1.699 1.594 409 H ALA 67 H ALA 67 -3.075 6.109 4.550 410 HA ALA 67 HA ALA 67 -1.850 8.118 6.127 411 HB1 ALA 67 1HB ALA 67 -3.802 9.476 5.448 412 HB2 ALA 67 2HB ALA 67 -3.117 8.583 4.081 413 HB3 ALA 67 3HB ALA 67 -4.616 8.018 4.853 414 H ALA 68 H ALA 68 -4.425 5.783 6.847 415 HA ALA 68 HA ALA 68 -5.391 7.150 9.255 416 HB1 ALA 68 1HB ALA 68 -6.067 4.447 8.003 417 HB2 ALA 68 2HB ALA 68 -6.923 5.209 9.360 418 HB3 ALA 68 3HB ALA 68 -6.952 5.974 7.769 419 H LEU 69 H LEU 69 -3.139 4.478 8.518 420 HA LEU 69 HA LEU 69 -2.563 3.942 11.334 421 HB3 LEU 69 2HB LEU 69 -0.240 3.336 10.132 422 HG LEU 69 HG LEU 69 -0.972 1.106 9.705 423 HD11 LEU 69 1HD1 LEU 69 -0.692 1.882 12.075 424 HD12 LEU 69 2HD1 LEU 69 -1.738 0.467 11.875 425 HD13 LEU 69 3HD1 LEU 69 -2.462 2.042 12.179 426 HD21 LEU 69 3HD2 LEU 69 -3.123 1.575 8.547 427 HD22 LEU 69 1HD2 LEU 69 -3.855 2.015 10.105 428 HD23 LEU 69 2HD2 LEU 69 -3.279 0.360 9.827 429 H GLY 70 H GLY 70 -1.966 6.673 9.352 430 HA2 GLY 70 2HA GLY 70 -1.449 8.763 10.362 431 HA3 GLY 70 3HA GLY 70 -0.376 7.970 11.522 432 H TYR 71 H TYR 71 0.168 6.728 8.427 433 HA TYR 71 HA TYR 71 2.639 8.364 8.101 434 HB3 TYR 71 2HB TYR 71 3.490 6.437 6.902 435 HD1 TYR 71 2HD TYR 71 4.314 7.252 9.366 436 HD2 TYR 71 1HD TYR 71 1.604 3.996 8.576 437 HE1 TYR 71 2HE TYR 71 4.802 6.321 11.597 438 HE2 TYR 71 1HE TYR 71 2.092 3.051 10.836 439 HH TYR 71 HH TYR 71 4.384 4.639 13.087 440 H THR 72 H THR 72 3.185 7.812 5.428 441 HA THR 72 HA THR 72 0.885 8.641 3.769 442 HB THR 72 HB THR 72 2.323 10.300 2.560 443 HG1 THR 72 1HG THR 72 4.016 10.111 4.834 444 HG21 THR 72 3HG2 THR 72 2.179 12.147 4.110 445 HG22 THR 72 1HG2 THR 72 2.034 11.052 5.497 446 HG23 THR 72 2HG2 THR 72 0.738 11.129 4.283 447 H LEU 73 H LEU 73 1.593 8.457 1.376 448 HA LEU 73 HA LEU 73 3.808 6.486 0.991 449 HB3 LEU 73 2HB LEU 73 1.554 5.398 0.962 450 HG LEU 73 HG LEU 73 0.512 7.319 -0.616 451 HD11 LEU 73 1HD1 LEU 73 0.340 6.419 -2.981 452 HD12 LEU 73 2HD1 LEU 73 1.663 5.302 -2.610 453 HD13 LEU 73 3HD1 LEU 73 1.929 7.056 -2.587 454 HD21 LEU 73 3HD2 LEU 73 -0.710 5.430 0.354 455 HD22 LEU 73 1HD2 LEU 73 -0.080 4.339 -0.900 456 HD23 LEU 73 2HD2 LEU 73 -1.183 5.660 -1.337 457 H ALA 74 H ALA 74 4.647 6.368 -1.192 458 HA ALA 74 HA ALA 74 4.028 8.685 -2.943 459 HB1 ALA 74 1HB ALA 74 5.970 9.418 -1.645 460 HB2 ALA 74 2HB ALA 74 6.865 7.957 -2.102 461 HB3 ALA 74 3HB ALA 74 6.422 9.153 -3.338 462 H GLU 75 H GLU 75 3.473 7.990 -4.818 463 HA GLU 75 HA GLU 75 4.983 5.848 -6.233 464 HB3 GLU 75 2HB GLU 75 1.981 6.157 -6.573 465 HG3 GLU 75 2HG GLU 75 2.068 3.761 -7.032 466 HA PRO 76 HA PRO 76 5.076 9.953 -8.156 467 HB3 PRO 76 2HB PRO 76 7.344 9.907 -7.831 468 HG3 PRO 76 2HG PRO 76 8.609 7.909 -8.116 469 HD3 PRO 76 2HD PRO 76 6.883 7.383 -6.598 Start of MODEL 28 1 H2 PRO 6 2H PRO 6 -7.310 -2.458 -17.020 2 HA PRO 6 HA PRO 6 -6.983 -5.282 -17.134 3 HB3 PRO 6 2HB PRO 6 -5.517 -5.286 -18.867 4 HG3 PRO 6 2HG PRO 6 -5.115 -3.260 -20.059 5 HD3 PRO 6 2HD PRO 6 -7.461 -3.588 -19.708 6 H LEU 7 H LEU 7 -5.281 -5.974 -15.514 7 HA LEU 7 HA LEU 7 -5.129 -4.079 -13.262 8 HB3 LEU 7 2HB LEU 7 -3.869 -6.232 -12.344 9 HG LEU 7 HG LEU 7 -5.967 -5.371 -11.459 10 HD11 LEU 7 1HD1 LEU 7 -8.151 -6.397 -12.275 11 HD12 LEU 7 2HD1 LEU 7 -7.277 -6.954 -13.714 12 HD13 LEU 7 3HD1 LEU 7 -7.441 -5.216 -13.376 13 HD21 LEU 7 3HD2 LEU 7 -6.809 -7.493 -10.581 14 HD22 LEU 7 1HD2 LEU 7 -5.045 -7.566 -10.704 15 HD23 LEU 7 2HD2 LEU 7 -6.051 -8.390 -11.912 16 H LYS 8 H LYS 8 -3.284 -3.447 -12.300 17 HA LYS 8 HA LYS 8 -0.717 -3.720 -13.818 18 HB3 LYS 8 2HB LYS 8 -1.607 -1.614 -14.412 19 HG3 LYS 8 2HG LYS 8 -2.002 -1.004 -11.465 20 HD3 LYS 8 2HD LYS 8 -2.267 0.909 -13.815 21 HE3 LYS 8 2HE LYS 8 -2.059 1.282 -10.795 22 HZ1 LYS 8 3HZ LYS 8 -2.477 3.638 -11.360 23 HZ2 LYS 8 1HZ LYS 8 -2.338 3.293 -12.949 24 HZ3 LYS 8 2HZ LYS 8 -1.039 3.127 -11.964 25 H THR 9 H THR 9 0.929 -4.370 -12.631 26 HA THR 9 HA THR 9 0.831 -4.275 -9.652 27 HB THR 9 HB THR 9 1.345 -6.427 -10.753 28 HG1 THR 9 1HG THR 9 2.866 -6.848 -9.269 29 HG21 THR 9 3HG2 THR 9 4.012 -5.128 -11.480 30 HG22 THR 9 1HG2 THR 9 2.765 -5.622 -12.649 31 HG23 THR 9 2HG2 THR 9 3.575 -6.838 -11.652 32 H GLN 10 H GLN 10 2.710 -3.418 -8.496 33 HA GLN 10 HA GLN 10 4.765 -1.935 -9.706 34 HB3 GLN 10 2HB GLN 10 3.185 -0.257 -10.456 35 HG3 GLN 10 2HG GLN 10 2.132 1.165 -8.467 36 HE21 GLN 10 1HE2 GLN 10 0.362 -1.842 -8.436 37 HE22 GLN 10 2HE2 GLN 10 -0.695 -1.437 -9.773 38 H GLN 11 H GLN 11 6.175 -0.967 -8.213 39 HA GLN 11 HA GLN 11 5.651 -1.438 -5.335 40 HB3 GLN 11 2HB GLN 11 8.003 -0.497 -5.117 41 HG3 GLN 11 2HG GLN 11 7.596 -2.985 -6.821 42 HE21 GLN 11 1HE2 GLN 11 9.415 -4.573 -6.593 43 HE22 GLN 11 2HE2 GLN 11 11.037 -3.893 -6.701 44 H MET 12 H MET 12 5.689 0.239 -3.819 45 HA MET 12 HA MET 12 5.579 3.065 -4.774 46 HB3 MET 12 2HB MET 12 3.288 2.439 -4.247 47 HG3 MET 12 2HG MET 12 4.409 1.612 -1.530 48 HE1 MET 12 3HE MET 12 1.194 3.074 -3.410 49 HE2 MET 12 1HE MET 12 0.905 1.316 -3.351 50 HE3 MET 12 2HE MET 12 -0.079 2.425 -2.369 51 H GLN 13 H GLN 13 6.329 4.584 -3.276 52 HA GLN 13 HA GLN 13 8.391 3.523 -1.426 53 HB3 GLN 13 2HB GLN 13 7.846 6.356 -2.424 54 HG3 GLN 13 2HG GLN 13 10.349 5.263 -1.073 55 HE21 GLN 13 1HE2 GLN 13 11.759 6.438 -2.520 56 HE22 GLN 13 2HE2 GLN 13 11.757 8.192 -2.530 57 H VAL 14 H VAL 14 8.046 3.614 0.749 58 HA VAL 14 HA VAL 14 5.696 5.098 1.860 59 HB VAL 14 HB VAL 14 6.299 2.128 2.014 60 HG11 VAL 14 1HG1 VAL 14 5.912 2.746 4.359 61 HG12 VAL 14 2HG1 VAL 14 4.467 3.682 3.903 62 HG13 VAL 14 3HG1 VAL 14 4.493 1.918 3.719 63 HG21 VAL 14 3HG2 VAL 14 3.963 1.893 1.378 64 HG22 VAL 14 1HG2 VAL 14 3.741 3.653 1.429 65 HG23 VAL 14 2HG2 VAL 14 4.809 2.922 0.217 66 H GLY 15 H GLY 15 5.828 5.637 4.028 67 HA2 GLY 15 2HA GLY 15 8.506 6.265 4.985 68 HA3 GLY 15 3HA GLY 15 6.961 6.710 5.719 69 H GLY 16 H GLY 16 6.996 6.101 7.746 70 HA2 GLY 16 2HA GLY 16 8.821 4.311 8.897 71 HA3 GLY 16 3HA GLY 16 7.449 5.073 9.718 72 H MET 17 H MET 17 6.537 2.969 7.151 73 HA MET 17 HA MET 17 5.130 1.130 8.841 74 HB3 MET 17 2HB MET 17 5.975 0.818 5.931 75 HG3 MET 17 2HG MET 17 3.536 -0.198 7.442 76 HE1 MET 17 3HE MET 17 5.331 -2.037 4.578 77 HE2 MET 17 1HE MET 17 4.527 -1.453 3.109 78 HE3 MET 17 2HE MET 17 5.600 -0.373 4.007 79 H ARG 18 H ARG 18 8.428 1.233 8.106 80 HA ARG 18 HA ARG 18 9.241 -1.475 7.960 81 HB3 ARG 18 2HB ARG 18 10.670 0.170 7.103 82 HG3 ARG 18 2HG ARG 18 10.462 1.537 9.805 83 HD3 ARG 18 2HD ARG 18 12.813 1.504 9.355 84 HE ARG 18 HE ARG 18 12.163 2.486 6.588 85 HH11 ARG 18 1HH1 ARG 18 14.553 0.861 8.728 86 HH12 ARG 18 2HH1 ARG 18 15.574 0.537 7.335 87 HH21 ARG 18 1HH2 ARG 18 13.525 1.811 4.941 88 HH22 ARG 18 2HH2 ARG 18 15.069 1.095 5.370 89 H CYS 19 H CYS 19 7.593 -1.925 9.888 90 HA CYS 19 HA CYS 19 9.332 -3.226 11.789 91 HB3 CYS 19 2HB CYS 19 7.167 -1.453 12.995 92 HG CYS 19 HG CYS 19 8.373 -1.736 15.289 93 H ALA 20 H ALA 20 8.359 -5.119 12.569 94 HA ALA 20 HA ALA 20 6.720 -6.373 10.740 95 HB1 ALA 20 1HB ALA 20 6.652 -8.237 12.309 96 HB2 ALA 20 2HB ALA 20 8.247 -7.464 12.363 97 HB3 ALA 20 3HB ALA 20 7.072 -7.166 13.661 98 H ALA 21 H ALA 21 5.513 -5.242 13.964 99 HA ALA 21 HA ALA 21 2.791 -5.976 13.467 100 HB1 ALA 21 1HB ALA 21 2.296 -4.502 15.363 101 HB2 ALA 21 2HB ALA 21 3.740 -5.470 15.710 102 HB3 ALA 21 3HB ALA 21 3.900 -3.758 15.242 103 H CYS 22 H CYS 22 4.565 -2.953 12.712 104 HA CYS 22 HA CYS 22 2.227 -1.458 12.037 105 HB3 CYS 22 2HB CYS 22 3.899 0.188 11.156 106 HG CYS 22 HG CYS 22 3.230 0.215 13.662 107 H ALA 23 H ALA 23 4.596 -3.070 9.828 108 HA ALA 23 HA ALA 23 3.080 -2.653 7.444 109 HB1 ALA 23 1HB ALA 23 5.440 -3.438 7.581 110 HB2 ALA 23 2HB ALA 23 4.878 -4.970 8.299 111 HB3 ALA 23 3HB ALA 23 4.432 -4.539 6.638 112 H SER 24 H SER 24 2.498 -4.799 10.177 113 HA SER 24 HA SER 24 0.661 -6.549 8.640 114 HB3 SER 24 2HB SER 24 0.244 -7.674 10.713 115 HG SER 24 HG SER 24 3.031 -7.039 10.662 116 H SER 25 H SER 25 0.339 -3.830 10.987 117 HA SER 25 HA SER 25 -2.487 -3.778 11.005 118 HB3 SER 25 2HB SER 25 -2.302 -1.519 11.875 119 HG SER 25 HG SER 25 -0.565 -1.889 13.492 120 H ILE 26 H ILE 26 -0.287 -2.657 8.546 121 HA ILE 26 HA ILE 26 -2.469 -1.495 6.893 122 HB ILE 26 HB ILE 26 0.487 -1.996 6.363 123 HG13 ILE 26 2HG1 ILE 26 -1.282 0.501 6.352 124 HG21 ILE 26 1HG2 ILE 26 -1.636 -1.175 4.324 125 HG22 ILE 26 2HG2 ILE 26 0.119 -1.072 4.069 126 HG23 ILE 26 3HG2 ILE 26 -0.629 -2.642 4.275 127 HD11 ILE 26 3HD1 ILE 26 -0.307 0.016 8.594 128 HD12 ILE 26 1HD1 ILE 26 1.306 -0.074 7.848 129 HD13 ILE 26 2HD1 ILE 26 0.414 1.454 7.847 130 H GLU 27 H GLU 27 -0.401 -4.478 6.716 131 HA GLU 27 HA GLU 27 -1.785 -5.179 4.352 132 HB3 GLU 27 2HB GLU 27 -0.258 -7.303 5.825 133 HG3 GLU 27 2HG GLU 27 -0.274 -6.303 2.927 134 H ARG 28 H ARG 28 -2.381 -6.158 7.695 135 HA ARG 28 HA ARG 28 -4.182 -8.295 7.350 136 HB3 ARG 28 2HB ARG 28 -4.149 -5.995 9.343 137 HG3 ARG 28 2HG ARG 28 -5.494 -8.716 9.602 138 HD3 ARG 28 2HD ARG 28 -6.215 -7.681 11.838 139 HE ARG 28 HE ARG 28 -4.090 -9.308 11.328 140 HH11 ARG 28 1HH1 ARG 28 -4.212 -6.599 13.606 141 HH12 ARG 28 2HH1 ARG 28 -3.720 -7.606 14.946 142 HH21 ARG 28 1HH2 ARG 28 -3.246 -10.459 13.044 143 HH22 ARG 28 2HH2 ARG 28 -2.726 -9.623 14.490 144 H ALA 29 H ALA 29 -4.728 -4.825 6.794 145 HA ALA 29 HA ALA 29 -7.592 -5.241 6.114 146 HB1 ALA 29 1HB ALA 29 -5.801 -2.771 6.055 147 HB2 ALA 29 2HB ALA 29 -7.539 -2.805 5.695 148 HB3 ALA 29 3HB ALA 29 -6.967 -3.201 7.326 149 H LEU 30 H LEU 30 -4.464 -4.515 4.474 150 HA LEU 30 HA LEU 30 -5.553 -3.960 1.940 151 HB3 LEU 30 2HB LEU 30 -2.840 -5.172 2.553 152 HG LEU 30 HG LEU 30 -3.102 -4.929 0.154 153 HD11 LEU 30 1HD1 LEU 30 -3.471 -2.708 -0.887 154 HD12 LEU 30 2HD1 LEU 30 -3.819 -2.014 0.716 155 HD13 LEU 30 3HD1 LEU 30 -4.882 -3.249 0.002 156 HD21 LEU 30 3HD2 LEU 30 -1.198 -3.403 -0.251 157 HD22 LEU 30 1HD2 LEU 30 -0.921 -4.404 1.185 158 HD23 LEU 30 2HD2 LEU 30 -1.401 -2.703 1.368 159 H GLU 31 H GLU 31 -4.948 -7.152 3.337 160 HA GLU 31 HA GLU 31 -5.389 -8.552 0.808 161 HB3 GLU 31 2HB GLU 31 -4.031 -9.588 2.480 162 HG3 GLU 31 2HG GLU 31 -6.522 -9.780 4.212 163 H ARG 32 H ARG 32 -7.491 -6.899 2.942 164 HA ARG 32 HA ARG 32 -9.835 -8.495 2.086 165 HB3 ARG 32 2HB ARG 32 -10.993 -7.357 3.997 166 HG3 ARG 32 2HG ARG 32 -8.480 -8.830 4.863 167 HD3 ARG 32 2HD ARG 32 -11.234 -8.436 6.098 168 HE ARG 32 HE ARG 32 -9.294 -10.538 6.539 169 HH11 ARG 32 1HH1 ARG 32 -11.673 -8.526 8.283 170 HH12 ARG 32 2HH1 ARG 32 -11.784 -9.670 9.583 171 HH21 ARG 32 1HH2 ARG 32 -9.491 -11.930 8.291 172 HH22 ARG 32 2HH2 ARG 32 -10.517 -11.503 9.637 173 H LEU 33 H LEU 33 -8.470 -5.268 1.721 174 HA LEU 33 HA LEU 33 -10.754 -3.700 1.533 175 HB3 LEU 33 2HB LEU 33 -9.377 -2.198 0.012 176 HG LEU 33 HG LEU 33 -7.708 -3.165 2.341 177 HD11 LEU 33 1HD1 LEU 33 -6.662 -0.985 2.236 178 HD12 LEU 33 2HD1 LEU 33 -7.749 -0.485 0.927 179 HD13 LEU 33 3HD1 LEU 33 -6.544 -1.754 0.643 180 HD21 LEU 33 3HD2 LEU 33 -9.901 -2.506 3.211 181 HD22 LEU 33 1HD2 LEU 33 -9.845 -0.998 2.263 182 HD23 LEU 33 2HD2 LEU 33 -8.698 -1.268 3.590 183 H LYS 34 H LYS 34 -9.819 -5.919 -0.992 184 HA LYS 34 HA LYS 34 -10.659 -6.436 -3.020 185 HB3 LYS 34 2HB LYS 34 -12.962 -5.640 -3.684 186 HG3 LYS 34 2HG LYS 34 -12.706 -6.956 -0.948 187 HD3 LYS 34 2HD LYS 34 -14.992 -6.698 -2.952 188 HE3 LYS 34 2HE LYS 34 -14.894 -9.031 -2.167 189 HZ1 LYS 34 3HZ LYS 34 -15.374 -9.430 0.169 190 HZ2 LYS 34 1HZ LYS 34 -15.121 -7.842 0.551 191 HZ3 LYS 34 2HZ LYS 34 -13.887 -8.785 0.009 192 H GLY 35 H GLY 35 -11.052 -5.658 -5.225 193 HA2 GLY 35 2HA GLY 35 -10.639 -4.248 -7.046 194 HA3 GLY 35 3HA GLY 35 -10.571 -2.863 -5.934 195 H VAL 36 H VAL 36 -8.511 -3.504 -4.297 196 HA VAL 36 HA VAL 36 -6.017 -4.029 -5.745 197 HB VAL 36 HB VAL 36 -5.837 -2.988 -3.588 198 HG11 VAL 36 1HG1 VAL 36 -7.788 -3.726 -2.405 199 HG12 VAL 36 2HG1 VAL 36 -7.254 -5.417 -2.422 200 HG13 VAL 36 3HG1 VAL 36 -6.376 -4.207 -1.473 201 HG21 VAL 36 3HG2 VAL 36 -4.029 -4.547 -4.286 202 HG22 VAL 36 1HG2 VAL 36 -4.165 -4.383 -2.530 203 HG23 VAL 36 2HG2 VAL 36 -4.784 -5.836 -3.327 204 H ALA 37 H ALA 37 -5.075 -5.986 -6.100 205 HA ALA 37 HA ALA 37 -6.890 -8.380 -6.013 206 HB1 ALA 37 1HB ALA 37 -4.864 -7.437 -8.095 207 HB2 ALA 37 2HB ALA 37 -5.869 -8.894 -8.200 208 HB3 ALA 37 3HB ALA 37 -6.633 -7.297 -8.207 209 H GLU 38 H GLU 38 -3.454 -7.382 -5.827 210 HA GLU 38 HA GLU 38 -2.778 -9.735 -4.221 211 HB3 GLU 38 2HB GLU 38 -0.699 -10.122 -5.622 212 HG3 GLU 38 2HG GLU 38 -3.351 -10.768 -6.942 213 H ALA 39 H ALA 39 -1.161 -9.142 -2.661 214 HA ALA 39 HA ALA 39 0.453 -6.736 -3.147 215 HB1 ALA 39 1HB ALA 39 -1.650 -6.775 -0.941 216 HB2 ALA 39 2HB ALA 39 -0.449 -5.495 -1.240 217 HB3 ALA 39 3HB ALA 39 -1.728 -5.802 -2.427 218 H SER 40 H SER 40 2.164 -6.431 -1.805 219 HA SER 40 HA SER 40 2.701 -8.373 0.405 220 HB3 SER 40 2HB SER 40 4.897 -8.933 -0.548 221 HG SER 40 HG SER 40 3.041 -9.409 -2.624 222 H VAL 41 H VAL 41 3.000 -6.922 2.061 223 HA VAL 41 HA VAL 41 4.582 -4.485 1.870 224 HB VAL 41 HB VAL 41 4.678 -4.498 4.325 225 HG11 VAL 41 1HG1 VAL 41 2.697 -3.604 3.225 226 HG12 VAL 41 2HG1 VAL 41 1.918 -5.194 3.261 227 HG13 VAL 41 3HG1 VAL 41 2.292 -4.333 4.771 228 HG21 VAL 41 3HG2 VAL 41 5.028 -6.756 4.954 229 HG22 VAL 41 1HG2 VAL 41 3.432 -6.330 5.585 230 HG23 VAL 41 2HG2 VAL 41 3.575 -7.326 4.132 231 H THR 42 H THR 42 6.698 -4.041 2.658 232 HA THR 42 HA THR 42 8.529 -6.353 3.189 233 HB THR 42 HB THR 42 9.021 -3.998 1.320 234 HG1 THR 42 1HG THR 42 8.906 -6.809 0.886 235 HG21 THR 42 3HG2 THR 42 11.166 -5.122 0.806 236 HG22 THR 42 1HG2 THR 42 10.861 -6.302 2.099 237 HG23 THR 42 2HG2 THR 42 11.110 -4.594 2.492 238 H VAL 43 H VAL 43 8.886 -6.053 5.271 239 HA VAL 43 HA VAL 43 8.969 -3.488 6.609 240 HB VAL 43 HB VAL 43 9.623 -6.333 7.446 241 HG11 VAL 43 1HG1 VAL 43 9.640 -5.516 9.825 242 HG12 VAL 43 2HG1 VAL 43 11.048 -5.002 8.894 243 HG13 VAL 43 3HG1 VAL 43 9.738 -3.852 9.209 244 HG21 VAL 43 3HG2 VAL 43 7.208 -5.598 7.071 245 HG22 VAL 43 1HG2 VAL 43 7.562 -6.157 8.709 246 HG23 VAL 43 2HG2 VAL 43 7.440 -4.415 8.373 247 H ALA 44 H ALA 44 11.558 -5.712 5.469 248 HA ALA 44 HA ALA 44 13.688 -4.689 6.949 249 HB1 ALA 44 1HB ALA 44 13.709 -5.847 4.118 250 HB2 ALA 44 2HB ALA 44 15.096 -5.773 5.227 251 HB3 ALA 44 3HB ALA 44 13.690 -6.777 5.630 252 H THR 45 H THR 45 12.372 -3.342 3.990 253 HA THR 45 HA THR 45 14.261 -1.020 4.078 254 HB THR 45 HB THR 45 13.689 -0.796 1.635 255 HG1 THR 45 1HG THR 45 12.929 -2.940 0.796 256 HG21 THR 45 3HG2 THR 45 15.196 -2.539 0.888 257 HG22 THR 45 1HG2 THR 45 14.955 -3.476 2.377 258 HG23 THR 45 2HG2 THR 45 15.790 -1.905 2.427 259 H GLY 46 H GLY 46 10.951 -1.968 4.430 260 HA2 GLY 46 2HA GLY 46 9.120 -0.699 5.008 261 HA3 GLY 46 3HA GLY 46 10.138 0.769 4.972 262 H ARG 47 H ARG 47 8.880 -1.656 2.627 263 HA ARG 47 HA ARG 47 7.704 0.540 1.032 264 HB3 ARG 47 2HB ARG 47 10.016 0.195 0.149 265 HG3 ARG 47 2HG ARG 47 8.914 -2.465 -0.868 266 HD3 ARG 47 2HD ARG 47 11.597 -1.135 -1.416 267 HE ARG 47 HE ARG 47 10.504 -3.724 -2.129 268 HH11 ARG 47 1HH1 ARG 47 12.466 -1.177 -3.619 269 HH12 ARG 47 2HH1 ARG 47 13.326 -2.316 -4.614 270 HH21 ARG 47 1HH2 ARG 47 11.517 -5.047 -3.431 271 HH22 ARG 47 2HH2 ARG 47 12.881 -4.534 -4.434 272 H LEU 48 H LEU 48 6.471 -0.449 -0.952 273 HA LEU 48 HA LEU 48 5.139 -3.003 -0.169 274 HB3 LEU 48 2HB LEU 48 3.196 -1.075 -1.217 275 HG LEU 48 HG LEU 48 3.490 -2.534 1.428 276 HD11 LEU 48 1HD1 LEU 48 1.155 -1.796 1.879 277 HD12 LEU 48 2HD1 LEU 48 1.237 -0.761 0.432 278 HD13 LEU 48 3HD1 LEU 48 2.298 -0.440 1.822 279 HD21 LEU 48 3HD2 LEU 48 2.900 -3.994 -0.487 280 HD22 LEU 48 1HD2 LEU 48 1.541 -2.931 -0.894 281 HD23 LEU 48 2HD2 LEU 48 1.549 -3.848 0.630 282 H THR 49 H THR 49 4.240 -4.158 -1.772 283 HA THR 49 HA THR 49 4.520 -3.327 -4.651 284 HB THR 49 HB THR 49 4.748 -6.148 -3.504 285 HG1 THR 49 1HG THR 49 6.633 -5.096 -3.164 286 HG21 THR 49 3HG2 THR 49 5.345 -6.753 -5.839 287 HG22 THR 49 1HG2 THR 49 4.995 -5.089 -6.364 288 HG23 THR 49 2HG2 THR 49 3.698 -6.137 -5.743 289 H VAL 50 H VAL 50 2.601 -3.312 -5.659 290 HA VAL 50 HA VAL 50 0.306 -4.827 -4.532 291 HB VAL 50 HB VAL 50 0.294 -2.697 -3.329 292 HG11 VAL 50 1HG1 VAL 50 -0.149 -0.558 -4.397 293 HG12 VAL 50 2HG1 VAL 50 1.378 -1.213 -5.003 294 HG13 VAL 50 3HG1 VAL 50 -0.090 -1.288 -6.006 295 HG21 VAL 50 3HG2 VAL 50 -2.028 -2.075 -3.741 296 HG22 VAL 50 1HG2 VAL 50 -2.003 -2.857 -5.324 297 HG23 VAL 50 2HG2 VAL 50 -1.831 -3.831 -3.845 298 H THR 51 H THR 51 -1.153 -5.474 -5.933 299 HA THR 51 HA THR 51 -1.135 -4.534 -8.763 300 HB THR 51 HB THR 51 -2.145 -7.208 -7.699 301 HG1 THR 51 1HG THR 51 -0.305 -7.965 -8.928 302 HG21 THR 51 3HG2 THR 51 -3.219 -6.311 -9.841 303 HG22 THR 51 1HG2 THR 51 -2.303 -7.781 -10.107 304 HG23 THR 51 2HG2 THR 51 -1.609 -6.214 -10.567 305 H TYR 52 H TYR 52 -2.986 -3.491 -9.373 306 HA TYR 52 HA TYR 52 -5.541 -4.148 -8.080 307 HB3 TYR 52 2HB TYR 52 -4.511 -2.453 -6.584 308 HD1 TYR 52 1HD TYR 52 -2.383 -1.360 -7.441 309 HD2 TYR 52 2HD TYR 52 -6.313 -0.030 -8.609 310 HE1 TYR 52 1HE TYR 52 -1.437 0.864 -8.069 311 HE2 TYR 52 2HE TYR 52 -5.380 2.194 -9.212 312 HH TYR 52 HH TYR 52 -1.913 3.004 -8.801 313 H ASP 53 H ASP 53 -7.418 -3.003 -9.007 314 HA ASP 53 HA ASP 53 -7.161 -2.667 -11.936 315 HB3 ASP 53 2HB ASP 53 -9.541 -3.243 -10.148 316 HA PRO 54 HA PRO 54 -7.625 1.653 -10.623 317 HB3 PRO 54 2HB PRO 54 -5.680 1.984 -11.825 318 HG3 PRO 54 2HG PRO 54 -5.322 0.952 -13.941 319 HD3 PRO 54 2HD PRO 54 -5.691 -0.805 -12.420 320 H LYS 55 H LYS 55 -9.882 -0.041 -12.020 321 HA LYS 55 HA LYS 55 -11.639 2.343 -12.495 322 HB3 LYS 55 2HB LYS 55 -12.924 1.041 -14.161 323 HG3 LYS 55 2HG LYS 55 -10.026 1.312 -15.060 324 HD3 LYS 55 2HD LYS 55 -11.066 2.143 -17.149 325 HE3 LYS 55 2HE LYS 55 -12.092 -0.614 -16.345 326 HZ1 LYS 55 3HZ LYS 55 -12.110 -1.014 -18.722 327 HZ2 LYS 55 1HZ LYS 55 -11.636 0.528 -19.046 328 HZ3 LYS 55 2HZ LYS 55 -13.100 0.255 -18.381 329 H GLN 56 H GLN 56 -11.315 -0.972 -11.239 330 HA GLN 56 HA GLN 56 -13.838 -0.778 -9.731 331 HB3 GLN 56 2HB GLN 56 -12.840 -2.533 -8.286 332 HG3 GLN 56 2HG GLN 56 -12.577 -3.174 -11.258 333 HE21 GLN 56 1HE2 GLN 56 -14.587 -5.354 -10.682 334 HE22 GLN 56 2HE2 GLN 56 -13.588 -6.636 -10.003 335 H VAL 57 H VAL 57 -10.419 0.182 -9.093 336 HA VAL 57 HA VAL 57 -11.400 2.034 -6.987 337 HB VAL 57 HB VAL 57 -9.633 1.454 -5.409 338 HG11 VAL 57 1HG1 VAL 57 -11.493 -0.884 -5.993 339 HG12 VAL 57 2HG1 VAL 57 -10.666 -0.543 -4.463 340 HG13 VAL 57 3HG1 VAL 57 -11.894 0.579 -5.075 341 HG21 VAL 57 3HG2 VAL 57 -8.439 -0.698 -5.547 342 HG22 VAL 57 1HG2 VAL 57 -9.160 -1.031 -7.135 343 HG23 VAL 57 2HG2 VAL 57 -8.026 0.319 -6.933 344 H SER 58 H SER 58 -8.898 2.975 -6.136 345 HA SER 58 HA SER 58 -7.146 3.533 -8.401 346 HB3 SER 58 2HB SER 58 -8.889 5.263 -8.685 347 HG SER 58 HG SER 58 -9.721 5.670 -6.763 348 H GLU 59 H GLU 59 -5.487 5.391 -7.352 349 HA GLU 59 HA GLU 59 -3.949 4.238 -5.353 350 HB3 GLU 59 2HB GLU 59 -2.940 6.379 -4.976 351 HG3 GLU 59 2HG GLU 59 -2.793 5.401 -7.417 352 H ILE 60 H ILE 60 -6.822 6.198 -4.920 353 HA ILE 60 HA ILE 60 -6.719 7.053 -2.251 354 HB ILE 60 HB ILE 60 -8.910 6.209 -4.167 355 HG13 ILE 60 2HG1 ILE 60 -9.453 8.555 -4.278 356 HG21 ILE 60 1HG2 ILE 60 -9.967 5.623 -2.199 357 HG22 ILE 60 2HG2 ILE 60 -9.353 7.047 -1.314 358 HG23 ILE 60 3HG2 ILE 60 -10.593 7.223 -2.595 359 HD11 ILE 60 3HD1 ILE 60 -8.757 9.344 -1.999 360 HD12 ILE 60 1HD1 ILE 60 -7.055 9.171 -2.497 361 HD13 ILE 60 2HD1 ILE 60 -8.108 10.322 -3.323 362 H THR 61 H THR 61 -7.864 3.865 -3.397 363 HA THR 61 HA THR 61 -8.958 3.024 -0.922 364 HB THR 61 HB THR 61 -7.951 1.544 -3.362 365 HG1 THR 61 1HG THR 61 -9.912 2.655 -3.502 366 HG21 THR 61 3HG2 THR 61 -9.125 -0.481 -2.472 367 HG22 THR 61 1HG2 THR 61 -9.259 0.313 -0.889 368 HG23 THR 61 2HG2 THR 61 -7.661 -0.105 -1.557 369 H ILE 62 H ILE 62 -5.638 2.669 -2.110 370 HA ILE 62 HA ILE 62 -4.793 1.348 0.427 371 HB ILE 62 HB ILE 62 -4.082 0.423 -1.729 372 HG13 ILE 62 2HG1 ILE 62 -2.780 0.197 0.413 373 HG21 ILE 62 1HG2 ILE 62 -2.461 2.982 -2.104 374 HG22 ILE 62 2HG2 ILE 62 -2.355 1.526 -3.109 375 HG23 ILE 62 3HG2 ILE 62 -3.845 2.456 -3.094 376 HD11 ILE 62 3HD1 ILE 62 -0.924 0.152 -1.999 377 HD12 ILE 62 1HD1 ILE 62 -0.841 -0.822 -0.526 378 HD13 ILE 62 2HD1 ILE 62 -2.150 -1.090 -1.684 379 H GLN 63 H GLN 63 -4.532 4.521 -1.128 380 HA GLN 63 HA GLN 63 -2.582 5.689 0.539 381 HB3 GLN 63 2HB GLN 63 -5.123 7.031 -0.503 382 HG3 GLN 63 2HG GLN 63 -2.307 8.133 -0.126 383 HE21 GLN 63 1HE2 GLN 63 -2.214 9.159 -2.244 384 HE22 GLN 63 2HE2 GLN 63 -3.366 10.429 -2.636 385 H GLU 64 H GLU 64 -6.136 5.498 1.086 386 HA GLU 64 HA GLU 64 -6.266 6.917 3.508 387 HB3 GLU 64 2HB GLU 64 -8.287 5.399 3.969 388 HG3 GLU 64 2HG GLU 64 -8.197 6.720 1.226 389 H ARG 65 H ARG 65 -5.715 3.368 3.190 390 HA ARG 65 HA ARG 65 -5.636 2.966 6.046 391 HB3 ARG 65 2HB ARG 65 -4.832 1.276 3.655 392 HG3 ARG 65 2HG ARG 65 -3.535 0.325 5.427 393 HD3 ARG 65 2HD ARG 65 -4.719 1.230 7.444 394 HE ARG 65 HE ARG 65 -7.070 0.238 6.630 395 HH11 ARG 65 1HH1 ARG 65 -5.073 -1.040 9.299 396 HH12 ARG 65 2HH1 ARG 65 -6.481 -1.217 10.316 397 HH21 ARG 65 1HH2 ARG 65 -8.736 -0.067 7.941 398 HH22 ARG 65 2HH2 ARG 65 -8.562 -0.759 9.529 399 H ILE 66 H ILE 66 -3.009 3.553 3.651 400 HA ILE 66 HA ILE 66 -0.923 3.036 5.669 401 HB ILE 66 HB ILE 66 -0.805 4.371 2.944 402 HG13 ILE 66 2HG1 ILE 66 -1.403 1.842 3.144 403 HG21 ILE 66 1HG2 ILE 66 1.694 4.012 3.154 404 HG22 ILE 66 2HG2 ILE 66 1.087 5.167 4.328 405 HG23 ILE 66 3HG2 ILE 66 1.448 3.502 4.836 406 HD11 ILE 66 3HD1 ILE 66 1.137 2.487 1.609 407 HD12 ILE 66 1HD1 ILE 66 -0.007 1.162 1.331 408 HD13 ILE 66 2HD1 ILE 66 -0.529 2.834 1.070 409 H ALA 67 H ALA 67 -2.523 6.015 4.457 410 HA ALA 67 HA ALA 67 -0.987 7.800 6.100 411 HB1 ALA 67 1HB ALA 67 -2.845 9.369 5.604 412 HB2 ALA 67 2HB ALA 67 -2.318 8.506 4.146 413 HB3 ALA 67 3HB ALA 67 -3.820 8.027 4.966 414 H ALA 68 H ALA 68 -4.052 5.986 6.723 415 HA ALA 68 HA ALA 68 -4.784 7.259 9.122 416 HB1 ALA 68 1HB ALA 68 -6.235 5.259 9.432 417 HB2 ALA 68 2HB ALA 68 -6.292 5.890 7.782 418 HB3 ALA 68 3HB ALA 68 -5.351 4.426 8.134 419 H LEU 69 H LEU 69 -2.659 4.378 8.762 420 HA LEU 69 HA LEU 69 -2.252 4.104 11.646 421 HB3 LEU 69 2HB LEU 69 -0.182 2.794 10.836 422 HG LEU 69 HG LEU 69 -1.255 0.796 10.483 423 HD11 LEU 69 1HD1 LEU 69 -2.917 0.594 12.212 424 HD12 LEU 69 2HD1 LEU 69 -3.270 2.318 12.165 425 HD13 LEU 69 3HD1 LEU 69 -1.679 1.748 12.736 426 HD21 LEU 69 3HD2 LEU 69 -3.789 2.243 9.641 427 HD22 LEU 69 1HD2 LEU 69 -3.591 0.492 9.830 428 HD23 LEU 69 2HD2 LEU 69 -2.660 1.346 8.591 429 H GLY 70 H GLY 70 -1.276 6.613 9.640 430 HA2 GLY 70 2HA GLY 70 -0.358 8.526 10.639 431 HA3 GLY 70 3HA GLY 70 0.569 7.529 11.784 432 H TYR 71 H TYR 71 0.887 6.376 8.576 433 HA TYR 71 HA TYR 71 3.590 7.619 8.330 434 HB3 TYR 71 2HB TYR 71 4.140 5.738 6.945 435 HD1 TYR 71 2HD TYR 71 5.012 5.994 9.517 436 HD2 TYR 71 1HD TYR 71 1.778 3.462 8.201 437 HE1 TYR 71 2HE TYR 71 5.176 4.691 11.628 438 HE2 TYR 71 1HE TYR 71 1.955 2.143 10.307 439 HH TYR 71 HH TYR 71 2.882 2.039 12.402 440 H THR 72 H THR 72 3.983 7.294 5.581 441 HA THR 72 HA THR 72 1.874 8.683 4.081 442 HB THR 72 HB THR 72 3.573 10.304 3.116 443 HG1 THR 72 1HG THR 72 5.404 10.697 4.339 444 HG21 THR 72 3HG2 THR 72 1.906 11.002 4.873 445 HG22 THR 72 1HG2 THR 72 3.389 11.967 4.816 446 HG23 THR 72 2HG2 THR 72 3.180 10.748 6.090 447 H LEU 73 H LEU 73 2.644 8.886 1.714 448 HA LEU 73 HA LEU 73 4.431 6.727 0.837 449 HB3 LEU 73 2HB LEU 73 2.378 5.508 1.294 450 HG LEU 73 HG LEU 73 1.038 7.557 -0.516 451 HD11 LEU 73 1HD1 LEU 73 0.744 5.361 -1.599 452 HD12 LEU 73 2HD1 LEU 73 -0.776 5.963 -0.932 453 HD13 LEU 73 3HD1 LEU 73 0.124 4.688 -0.078 454 HD21 LEU 73 3HD2 LEU 73 0.297 6.194 2.114 455 HD22 LEU 73 1HD2 LEU 73 -0.843 7.160 1.176 456 HD23 LEU 73 2HD2 LEU 73 0.592 7.919 1.845 457 H ALA 74 H ALA 74 4.571 6.545 -1.567 458 HA ALA 74 HA ALA 74 3.479 8.708 -3.222 459 HB1 ALA 74 1HB ALA 74 5.489 9.800 -2.340 460 HB2 ALA 74 2HB ALA 74 6.492 8.418 -2.831 461 HB3 ALA 74 3HB ALA 74 5.703 9.435 -4.056 462 H GLU 75 H GLU 75 3.323 8.217 -5.338 463 HA GLU 75 HA GLU 75 4.640 5.914 -6.542 464 HB3 GLU 75 2HB GLU 75 1.640 5.765 -6.768 465 HG3 GLU 75 2HG GLU 75 2.052 3.367 -6.837 466 HA PRO 76 HA PRO 76 3.826 9.988 -8.429 467 HB3 PRO 76 2HB PRO 76 5.896 10.680 -7.789 468 HG3 PRO 76 2HG PRO 76 7.764 9.182 -7.788 469 HD3 PRO 76 2HD PRO 76 6.041 8.180 -6.505 Start of MODEL 29 1 H2 PRO 6 2H PRO 6 -6.633 -3.666 -18.824 2 HA PRO 6 HA PRO 6 -6.903 -6.282 -17.557 3 HB3 PRO 6 2HB PRO 6 -4.564 -6.763 -17.667 4 HG3 PRO 6 2HG PRO 6 -5.701 -7.282 -19.708 5 HD3 PRO 6 2HD PRO 6 -7.055 -5.705 -20.721 6 H LEU 7 H LEU 7 -4.865 -5.876 -15.598 7 HA LEU 7 HA LEU 7 -5.724 -3.463 -14.114 8 HB3 LEU 7 2HB LEU 7 -6.397 -5.488 -13.024 9 HG LEU 7 HG LEU 7 -4.818 -7.100 -14.064 10 HD11 LEU 7 1HD1 LEU 7 -2.776 -5.878 -12.224 11 HD12 LEU 7 2HD1 LEU 7 -2.644 -6.234 -13.956 12 HD13 LEU 7 3HD1 LEU 7 -2.643 -7.554 -12.797 13 HD21 LEU 7 3HD2 LEU 7 -4.658 -8.538 -12.041 14 HD22 LEU 7 1HD2 LEU 7 -6.209 -7.692 -12.112 15 HD23 LEU 7 2HD2 LEU 7 -4.937 -7.112 -11.017 16 H LYS 8 H LYS 8 -3.766 -3.230 -12.339 17 HA LYS 8 HA LYS 8 -1.160 -3.147 -13.752 18 HB3 LYS 8 2HB LYS 8 -2.282 -1.111 -14.336 19 HG3 LYS 8 2HG LYS 8 -2.667 -0.681 -11.343 20 HD3 LYS 8 2HD LYS 8 -3.621 1.528 -11.947 21 HE3 LYS 8 2HE LYS 8 -0.675 1.321 -12.714 22 HZ1 LYS 8 3HZ LYS 8 -1.681 3.551 -12.919 23 HZ2 LYS 8 1HZ LYS 8 -0.571 3.504 -11.721 24 HZ3 LYS 8 2HZ LYS 8 -2.164 3.496 -11.349 25 H THR 9 H THR 9 0.658 -3.005 -12.447 26 HA THR 9 HA THR 9 0.247 -3.416 -9.508 27 HB THR 9 HB THR 9 1.130 -5.410 -10.801 28 HG1 THR 9 1HG THR 9 1.349 -5.322 -8.663 29 HG21 THR 9 3HG2 THR 9 2.750 -4.197 -12.285 30 HG22 THR 9 1HG2 THR 9 3.493 -5.489 -11.336 31 HG23 THR 9 2HG2 THR 9 3.725 -3.798 -10.854 32 H GLN 10 H GLN 10 2.218 -2.702 -8.201 33 HA GLN 10 HA GLN 10 3.807 -0.542 -9.252 34 HB3 GLN 10 2HB GLN 10 1.475 0.072 -7.378 35 HG3 GLN 10 2HG GLN 10 3.333 1.505 -6.677 36 HE21 GLN 10 1HE2 GLN 10 2.996 4.089 -8.717 37 HE22 GLN 10 2HE2 GLN 10 4.424 3.843 -9.733 38 H GLN 11 H GLN 11 5.419 0.065 -7.799 39 HA GLN 11 HA GLN 11 5.558 -1.304 -5.192 40 HB3 GLN 11 2HB GLN 11 7.784 -1.235 -7.263 41 HG3 GLN 11 2HG GLN 11 7.634 -3.002 -4.784 42 HE21 GLN 11 1HE2 GLN 11 10.205 -1.037 -6.293 43 HE22 GLN 11 2HE2 GLN 11 11.150 -2.384 -6.894 44 H MET 12 H MET 12 6.602 -0.007 -3.586 45 HA MET 12 HA MET 12 7.417 2.752 -4.279 46 HB3 MET 12 2HB MET 12 4.987 2.782 -4.533 47 HG3 MET 12 2HG MET 12 4.829 1.800 -1.645 48 HE1 MET 12 3HE MET 12 1.834 3.966 -1.187 49 HE2 MET 12 1HE MET 12 3.160 3.058 -0.426 50 HE3 MET 12 2HE MET 12 3.527 4.322 -1.620 51 H GLN 13 H GLN 13 8.071 4.015 -2.481 52 HA GLN 13 HA GLN 13 8.969 2.565 -0.087 53 HB3 GLN 13 2HB GLN 13 9.764 4.954 0.519 54 HG3 GLN 13 2HG GLN 13 11.388 5.195 -1.454 55 HE21 GLN 13 1HE2 GLN 13 13.196 3.315 -1.817 56 HE22 GLN 13 2HE2 GLN 13 13.581 2.502 -0.274 57 H VAL 14 H VAL 14 8.185 2.901 2.037 58 HA VAL 14 HA VAL 14 5.752 4.623 2.345 59 HB VAL 14 HB VAL 14 5.205 2.173 2.295 60 HG11 VAL 14 1HG1 VAL 14 7.052 1.153 3.415 61 HG12 VAL 14 2HG1 VAL 14 6.685 2.027 4.922 62 HG13 VAL 14 3HG1 VAL 14 5.566 0.803 4.275 63 HG21 VAL 14 3HG2 VAL 14 3.749 3.866 3.341 64 HG22 VAL 14 1HG2 VAL 14 3.600 2.266 4.078 65 HG23 VAL 14 2HG2 VAL 14 4.512 3.542 4.910 66 H GLY 15 H GLY 15 5.475 5.623 4.390 67 HA2 GLY 15 2HA GLY 15 8.035 6.295 5.734 68 HA3 GLY 15 3HA GLY 15 6.510 7.196 5.797 69 H GLY 16 H GLY 16 8.362 4.618 7.119 70 HA2 GLY 16 2HA GLY 16 8.301 4.744 9.601 71 HA3 GLY 16 3HA GLY 16 6.567 4.425 9.519 72 H MET 17 H MET 17 7.293 2.292 7.257 73 HA MET 17 HA MET 17 7.065 0.183 9.177 74 HB3 MET 17 2HB MET 17 7.159 -1.289 7.088 75 HG3 MET 17 2HG MET 17 4.999 -0.648 7.893 76 HE1 MET 17 3HE MET 17 2.621 0.636 7.757 77 HE2 MET 17 1HE MET 17 2.434 2.215 6.973 78 HE3 MET 17 2HE MET 17 2.855 0.799 5.994 79 H ARG 18 H ARG 18 9.922 1.272 7.452 80 HA ARG 18 HA ARG 18 11.473 -0.929 7.394 81 HB3 ARG 18 2HB ARG 18 12.307 1.008 6.449 82 HG3 ARG 18 2HG ARG 18 12.521 2.265 9.224 83 HD3 ARG 18 2HD ARG 18 13.694 2.969 6.510 84 HE ARG 18 HE ARG 18 13.158 5.108 6.978 85 HH11 ARG 18 1HH1 ARG 18 14.205 3.711 10.090 86 HH12 ARG 18 2HH1 ARG 18 14.082 5.241 10.906 87 HH21 ARG 18 1HH2 ARG 18 13.091 7.031 8.073 88 HH22 ARG 18 2HH2 ARG 18 13.485 7.101 9.766 89 H CYS 19 H CYS 19 11.935 -2.464 8.705 90 HA CYS 19 HA CYS 19 12.532 -3.727 10.501 91 HB3 CYS 19 2HB CYS 19 14.464 -2.710 11.809 92 HG CYS 19 HG CYS 19 14.834 -4.207 9.748 93 H ALA 20 H ALA 20 10.066 -2.065 10.930 94 HA ALA 20 HA ALA 20 9.964 -2.083 13.923 95 HB1 ALA 20 1HB ALA 20 8.960 0.162 13.798 96 HB2 ALA 20 2HB ALA 20 10.549 0.157 13.026 97 HB3 ALA 20 3HB ALA 20 9.077 0.140 12.025 98 H ALA 21 H ALA 21 8.706 -3.961 11.921 99 HA ALA 21 HA ALA 21 6.842 -5.180 11.692 100 HB1 ALA 21 1HB ALA 21 7.328 -5.331 14.101 101 HB2 ALA 21 2HB ALA 21 6.191 -4.005 14.425 102 HB3 ALA 21 3HB ALA 21 5.607 -5.542 13.760 103 H CYS 22 H CYS 22 6.191 -1.853 11.568 104 HA CYS 22 HA CYS 22 3.432 -1.718 11.674 105 HB3 CYS 22 2HB CYS 22 3.680 0.431 10.469 106 HG CYS 22 HG CYS 22 5.467 1.719 12.015 107 H ALA 23 H ALA 23 4.638 -3.772 9.448 108 HA ALA 23 HA ALA 23 2.901 -3.235 7.169 109 HB1 ALA 23 1HB ALA 23 3.300 -5.702 6.741 110 HB2 ALA 23 2HB ALA 23 4.767 -4.742 6.870 111 HB3 ALA 23 3HB ALA 23 4.248 -5.756 8.232 112 H SER 24 H SER 24 2.472 -4.746 10.349 113 HA SER 24 HA SER 24 0.523 -6.611 9.797 114 HB3 SER 24 2HB SER 24 -0.106 -6.364 12.232 115 HG SER 24 HG SER 24 1.638 -7.629 11.619 116 H SER 25 H SER 25 -0.182 -3.199 10.676 117 HA SER 25 HA SER 25 -3.040 -3.390 10.597 118 HB3 SER 25 2HB SER 25 -2.038 -1.490 11.688 119 HG SER 25 HG SER 25 -0.092 -1.163 10.792 120 H ILE 26 H ILE 26 -0.712 -2.405 8.136 121 HA ILE 26 HA ILE 26 -2.524 -1.749 6.042 122 HB ILE 26 HB ILE 26 0.321 -2.817 5.773 123 HG13 ILE 26 2HG1 ILE 26 1.091 -0.474 5.792 124 HG21 ILE 26 1HG2 ILE 26 0.415 -1.365 3.750 125 HG22 ILE 26 2HG2 ILE 26 -0.747 -2.679 3.618 126 HG23 ILE 26 3HG2 ILE 26 -1.316 -1.024 3.939 127 HD11 ILE 26 3HD1 ILE 26 -1.125 0.710 5.543 128 HD12 ILE 26 1HD1 ILE 26 -1.527 0.181 7.198 129 HD13 ILE 26 2HD1 ILE 26 -0.156 1.261 6.925 130 H GLU 27 H GLU 27 -0.756 -4.787 6.658 131 HA GLU 27 HA GLU 27 -1.945 -6.165 4.392 132 HB3 GLU 27 2HB GLU 27 -0.801 -8.170 5.384 133 HG3 GLU 27 2HG GLU 27 1.562 -7.204 5.726 134 H ARG 28 H ARG 28 -2.976 -5.570 7.710 135 HA ARG 28 HA ARG 28 -4.899 -7.783 7.830 136 HB3 ARG 28 2HB ARG 28 -4.435 -5.318 9.528 137 HG3 ARG 28 2HG ARG 28 -6.332 -7.649 10.045 138 HD3 ARG 28 2HD ARG 28 -5.254 -5.421 11.838 139 HE ARG 28 HE ARG 28 -7.127 -7.504 12.799 140 HH11 ARG 28 1HH1 ARG 28 -6.801 -4.056 11.980 141 HH12 ARG 28 2HH1 ARG 28 -8.119 -3.608 13.026 142 HH21 ARG 28 1HH2 ARG 28 -8.816 -6.826 14.118 143 HH22 ARG 28 2HH2 ARG 28 -9.229 -5.121 14.161 144 H ALA 29 H ALA 29 -5.055 -4.293 6.949 145 HA ALA 29 HA ALA 29 -7.926 -4.397 6.449 146 HB1 ALA 29 1HB ALA 29 -6.895 -2.301 7.005 147 HB2 ALA 29 2HB ALA 29 -5.750 -2.431 5.656 148 HB3 ALA 29 3HB ALA 29 -7.492 -2.201 5.337 149 H LEU 30 H LEU 30 -5.179 -5.383 4.492 150 HA LEU 30 HA LEU 30 -6.020 -4.951 1.901 151 HB3 LEU 30 2HB LEU 30 -4.576 -7.347 3.093 152 HG LEU 30 HG LEU 30 -5.245 -7.890 0.763 153 HD11 LEU 30 1HD1 LEU 30 -5.436 -5.647 -0.209 154 HD12 LEU 30 2HD1 LEU 30 -4.239 -6.587 -1.105 155 HD13 LEU 30 3HD1 LEU 30 -3.702 -5.352 0.053 156 HD21 LEU 30 3HD2 LEU 30 -2.293 -7.248 1.125 157 HD22 LEU 30 1HD2 LEU 30 -2.980 -8.397 -0.048 158 HD23 LEU 30 2HD2 LEU 30 -3.128 -8.705 1.688 159 H GLU 31 H GLU 31 -7.068 -7.755 3.882 160 HA GLU 31 HA GLU 31 -8.556 -8.983 1.786 161 HB3 GLU 31 2HB GLU 31 -7.688 -10.305 3.598 162 HG3 GLU 31 2HG GLU 31 -9.632 -9.035 5.563 163 H ARG 32 H ARG 32 -9.319 -6.224 3.690 164 HA ARG 32 HA ARG 32 -12.214 -6.642 3.587 165 HB3 ARG 32 2HB ARG 32 -12.367 -4.487 4.733 166 HG3 ARG 32 2HG ARG 32 -11.131 -4.897 6.802 167 HD3 ARG 32 2HD ARG 32 -12.134 -7.504 5.594 168 HE ARG 32 HE ARG 32 -10.946 -7.722 7.796 169 HH11 ARG 32 1HH1 ARG 32 -14.220 -6.361 8.014 170 HH12 ARG 32 2HH1 ARG 32 -14.557 -7.309 9.454 171 HH21 ARG 32 1HH2 ARG 32 -11.459 -8.663 9.776 172 HH22 ARG 32 2HH2 ARG 32 -13.077 -8.464 10.407 173 H LEU 33 H LEU 33 -9.768 -4.672 1.974 174 HA LEU 33 HA LEU 33 -11.257 -2.844 0.509 175 HB3 LEU 33 2HB LEU 33 -9.397 -2.847 -1.112 176 HG LEU 33 HG LEU 33 -8.260 -3.535 1.621 177 HD11 LEU 33 1HD1 LEU 33 -6.829 -2.038 -0.572 178 HD12 LEU 33 2HD1 LEU 33 -6.792 -3.812 -0.506 179 HD13 LEU 33 3HD1 LEU 33 -6.195 -2.885 0.856 180 HD21 LEU 33 3HD2 LEU 33 -9.644 -1.496 1.725 181 HD22 LEU 33 1HD2 LEU 33 -8.801 -0.830 0.307 182 HD23 LEU 33 2HD2 LEU 33 -7.927 -1.073 1.830 183 H LYS 34 H LYS 34 -11.937 -2.616 -1.541 184 HA LYS 34 HA LYS 34 -12.627 -5.020 -3.163 185 HB3 LYS 34 2HB LYS 34 -14.517 -3.608 -2.547 186 HG3 LYS 34 2HG LYS 34 -13.008 -1.364 -3.945 187 HD3 LYS 34 2HD LYS 34 -15.976 -1.574 -3.283 188 HE3 LYS 34 2HE LYS 34 -14.228 0.769 -4.146 189 HZ1 LYS 34 3HZ LYS 34 -16.330 1.971 -4.296 190 HZ2 LYS 34 1HZ LYS 34 -17.189 0.588 -4.071 191 HZ3 LYS 34 2HZ LYS 34 -16.265 0.750 -5.407 192 H GLY 35 H GLY 35 -12.433 -4.673 -5.548 193 HA2 GLY 35 2HA GLY 35 -11.290 -4.217 -7.465 194 HA3 GLY 35 3HA GLY 35 -10.806 -2.690 -6.721 195 H VAL 36 H VAL 36 -9.674 -5.517 -5.067 196 HA VAL 36 HA VAL 36 -6.897 -4.799 -5.933 197 HB VAL 36 HB VAL 36 -7.460 -4.271 -3.607 198 HG11 VAL 36 1HG1 VAL 36 -7.822 -7.265 -3.191 199 HG12 VAL 36 2HG1 VAL 36 -7.693 -6.052 -1.908 200 HG13 VAL 36 3HG1 VAL 36 -9.063 -5.998 -3.019 201 HG21 VAL 36 3HG2 VAL 36 -5.109 -4.825 -4.244 202 HG22 VAL 36 1HG2 VAL 36 -5.507 -5.122 -2.551 203 HG23 VAL 36 2HG2 VAL 36 -5.391 -6.491 -3.666 204 H ALA 37 H ALA 37 -5.348 -6.461 -6.259 205 HA ALA 37 HA ALA 37 -6.465 -9.219 -6.746 206 HB1 ALA 37 1HB ALA 37 -6.072 -7.937 -8.816 207 HB2 ALA 37 2HB ALA 37 -4.388 -7.647 -8.332 208 HB3 ALA 37 3HB ALA 37 -4.943 -9.297 -8.683 209 H GLU 38 H GLU 38 -3.407 -7.456 -5.964 210 HA GLU 38 HA GLU 38 -2.503 -9.619 -4.249 211 HB3 GLU 38 2HB GLU 38 -0.237 -9.645 -5.418 212 HG3 GLU 38 2HG GLU 38 -2.474 -10.899 -7.044 213 H ALA 39 H ALA 39 -0.815 -8.898 -2.831 214 HA ALA 39 HA ALA 39 0.515 -6.397 -3.143 215 HB1 ALA 39 1HB ALA 39 -0.560 -5.044 -1.442 216 HB2 ALA 39 2HB ALA 39 -1.823 -5.556 -2.574 217 HB3 ALA 39 3HB ALA 39 -1.664 -6.373 -1.016 218 H SER 40 H SER 40 2.156 -6.084 -1.644 219 HA SER 40 HA SER 40 2.313 -7.727 0.816 220 HB3 SER 40 2HB SER 40 4.420 -8.747 0.348 221 HG SER 40 HG SER 40 3.032 -9.113 -2.087 222 H VAL 41 H VAL 41 3.079 -6.431 2.386 223 HA VAL 41 HA VAL 41 4.714 -4.022 1.807 224 HB VAL 41 HB VAL 41 3.958 -5.251 4.484 225 HG11 VAL 41 1HG1 VAL 41 5.853 -3.745 4.787 226 HG12 VAL 41 2HG1 VAL 41 5.106 -2.514 3.742 227 HG13 VAL 41 3HG1 VAL 41 4.415 -2.887 5.329 228 HG21 VAL 41 3HG2 VAL 41 2.224 -3.573 4.689 229 HG22 VAL 41 1HG2 VAL 41 2.625 -2.877 3.116 230 HG23 VAL 41 2HG2 VAL 41 1.918 -4.497 3.219 231 H THR 42 H THR 42 6.907 -3.812 2.511 232 HA THR 42 HA THR 42 8.351 -6.303 3.345 233 HB THR 42 HB THR 42 9.390 -4.205 1.396 234 HG1 THR 42 1HG THR 42 9.343 -6.124 0.011 235 HG21 THR 42 3HG2 THR 42 10.548 -6.887 2.305 236 HG22 THR 42 1HG2 THR 42 11.166 -5.287 2.770 237 HG23 THR 42 2HG2 THR 42 11.253 -5.795 1.087 238 H VAL 43 H VAL 43 8.120 -5.645 5.488 239 HA VAL 43 HA VAL 43 8.939 -3.122 6.573 240 HB VAL 43 HB VAL 43 8.624 -5.906 7.672 241 HG11 VAL 43 1HG1 VAL 43 9.801 -3.613 9.292 242 HG12 VAL 43 2HG1 VAL 43 9.088 -5.084 9.977 243 HG13 VAL 43 3HG1 VAL 43 10.549 -5.191 8.988 244 HG21 VAL 43 3HG2 VAL 43 7.440 -3.249 8.601 245 HG22 VAL 43 1HG2 VAL 43 6.757 -4.186 7.276 246 HG23 VAL 43 2HG2 VAL 43 6.830 -4.888 8.908 247 H ALA 44 H ALA 44 10.913 -5.909 5.515 248 HA ALA 44 HA ALA 44 13.275 -5.370 6.927 249 HB1 ALA 44 1HB ALA 44 14.346 -6.750 5.193 250 HB2 ALA 44 2HB ALA 44 12.755 -7.403 5.627 251 HB3 ALA 44 3HB ALA 44 12.958 -6.504 4.107 252 H THR 45 H THR 45 12.115 -3.705 4.047 253 HA THR 45 HA THR 45 14.454 -1.836 4.142 254 HB THR 45 HB THR 45 14.195 -1.672 1.623 255 HG1 THR 45 1HG THR 45 13.350 -3.868 0.886 256 HG21 THR 45 3HG2 THR 45 15.592 -3.587 1.191 257 HG22 THR 45 1HG2 THR 45 15.028 -4.416 2.659 258 HG23 THR 45 2HG2 THR 45 16.024 -2.948 2.779 259 H GLY 46 H GLY 46 11.092 -2.010 4.472 260 HA2 GLY 46 2HA GLY 46 9.692 -0.225 5.010 261 HA3 GLY 46 3HA GLY 46 10.969 0.920 4.537 262 H ARG 47 H ARG 47 9.651 -1.687 2.567 263 HA ARG 47 HA ARG 47 8.662 0.296 0.554 264 HB3 ARG 47 2HB ARG 47 9.525 -1.197 -1.187 265 HG3 ARG 47 2HG ARG 47 11.714 -0.565 0.839 266 HD3 ARG 47 2HD ARG 47 11.759 -0.875 -2.176 267 HE ARG 47 HE ARG 47 13.781 0.170 -0.272 268 HH11 ARG 47 1HH1 ARG 47 13.073 -0.703 -3.608 269 HH12 ARG 47 2HH1 ARG 47 14.656 -0.234 -4.164 270 HH21 ARG 47 1HH2 ARG 47 15.779 0.857 -1.079 271 HH22 ARG 47 2HH2 ARG 47 16.075 0.782 -2.805 272 H LEU 48 H LEU 48 7.281 -0.862 -1.154 273 HA LEU 48 HA LEU 48 5.419 -2.894 -0.050 274 HB3 LEU 48 2HB LEU 48 4.013 -0.540 -1.136 275 HG LEU 48 HG LEU 48 3.983 -1.835 1.615 276 HD11 LEU 48 1HD1 LEU 48 2.205 0.298 0.381 277 HD12 LEU 48 2HD1 LEU 48 3.341 0.529 1.731 278 HD13 LEU 48 3HD1 LEU 48 1.910 -0.494 1.949 279 HD21 LEU 48 3HD2 LEU 48 2.034 -2.011 -0.748 280 HD22 LEU 48 1HD2 LEU 48 1.707 -2.653 0.875 281 HD23 LEU 48 2HD2 LEU 48 3.015 -3.334 -0.087 282 H THR 49 H THR 49 4.083 -3.837 -1.582 283 HA THR 49 HA THR 49 4.295 -3.148 -4.491 284 HB THR 49 HB THR 49 4.312 -5.969 -3.320 285 HG1 THR 49 1HG THR 49 6.328 -5.047 -3.095 286 HG21 THR 49 3HG2 THR 49 3.180 -5.876 -5.508 287 HG22 THR 49 1HG2 THR 49 4.762 -6.628 -5.683 288 HG23 THR 49 2HG2 THR 49 4.531 -4.940 -6.192 289 H VAL 50 H VAL 50 2.296 -3.105 -5.436 290 HA VAL 50 HA VAL 50 -0.007 -4.492 -4.220 291 HB VAL 50 HB VAL 50 0.116 -2.401 -2.927 292 HG11 VAL 50 1HG1 VAL 50 -0.312 -0.219 -3.898 293 HG12 VAL 50 2HG1 VAL 50 1.131 -0.907 -4.651 294 HG13 VAL 50 3HG1 VAL 50 -0.415 -0.904 -5.528 295 HG21 VAL 50 3HG2 VAL 50 -2.194 -1.608 -3.236 296 HG22 VAL 50 1HG2 VAL 50 -2.315 -2.570 -4.718 297 HG23 VAL 50 2HG2 VAL 50 -2.062 -3.370 -3.162 298 H THR 51 H THR 51 -1.591 -5.008 -5.637 299 HA THR 51 HA THR 51 -1.550 -3.963 -8.432 300 HB THR 51 HB THR 51 -1.969 -6.857 -7.538 301 HG1 THR 51 1HG THR 51 0.038 -7.162 -8.568 302 HG21 THR 51 3HG2 THR 51 -1.534 -5.687 -10.344 303 HG22 THR 51 1HG2 THR 51 -3.130 -6.130 -9.732 304 HG23 THR 51 2HG2 THR 51 -1.898 -7.370 -9.946 305 H TYR 52 H TYR 52 -3.460 -3.318 -9.178 306 HA TYR 52 HA TYR 52 -6.028 -4.201 -8.044 307 HB3 TYR 52 2HB TYR 52 -5.362 -2.572 -6.408 308 HD1 TYR 52 1HD TYR 52 -6.073 -0.264 -9.297 309 HD2 TYR 52 2HD TYR 52 -3.369 -1.305 -6.104 310 HE1 TYR 52 1HE TYR 52 -4.722 1.761 -9.774 311 HE2 TYR 52 2HE TYR 52 -2.045 0.744 -6.551 312 HH TYR 52 HH TYR 52 -2.943 3.077 -9.115 313 H ASP 53 H ASP 53 -7.951 -3.198 -9.169 314 HA ASP 53 HA ASP 53 -7.282 -2.968 -12.014 315 HB3 ASP 53 2HB ASP 53 -8.929 -4.672 -11.147 316 HA PRO 54 HA PRO 54 -7.805 1.430 -11.666 317 HB3 PRO 54 2HB PRO 54 -6.061 1.457 -13.205 318 HG3 PRO 54 2HG PRO 54 -6.060 0.005 -15.120 319 HD3 PRO 54 2HD PRO 54 -6.142 -1.349 -13.192 320 H LYS 55 H LYS 55 -10.240 -0.486 -12.495 321 HA LYS 55 HA LYS 55 -11.886 1.551 -13.990 322 HB3 LYS 55 2HB LYS 55 -12.053 -1.488 -13.925 323 HG3 LYS 55 2HG LYS 55 -13.812 0.579 -15.327 324 HD3 LYS 55 2HD LYS 55 -14.979 -1.574 -16.150 325 HE3 LYS 55 2HE LYS 55 -12.264 -0.819 -17.313 326 HZ1 LYS 55 3HZ LYS 55 -13.282 -1.702 -19.347 327 HZ2 LYS 55 1HZ LYS 55 -14.560 -2.275 -18.495 328 HZ3 LYS 55 2HZ LYS 55 -13.042 -2.875 -18.217 329 H GLN 56 H GLN 56 -11.955 -0.828 -11.324 330 HA GLN 56 HA GLN 56 -14.300 0.536 -10.109 331 HB3 GLN 56 2HB GLN 56 -14.141 -1.271 -8.440 332 HG3 GLN 56 2HG GLN 56 -13.944 -2.318 -11.297 333 HE21 GLN 56 1HE2 GLN 56 -12.883 -4.206 -9.760 334 HE22 GLN 56 2HE2 GLN 56 -14.135 -5.418 -9.420 335 H VAL 57 H VAL 57 -10.730 0.397 -9.652 336 HA VAL 57 HA VAL 57 -11.028 2.411 -7.474 337 HB VAL 57 HB VAL 57 -9.551 1.217 -5.975 338 HG11 VAL 57 1HG1 VAL 57 -11.972 0.895 -5.686 339 HG12 VAL 57 2HG1 VAL 57 -11.911 -0.562 -6.709 340 HG13 VAL 57 3HG1 VAL 57 -11.050 -0.521 -5.176 341 HG21 VAL 57 3HG2 VAL 57 -9.690 -1.128 -7.927 342 HG22 VAL 57 1HG2 VAL 57 -8.256 -0.136 -7.598 343 HG23 VAL 57 2HG2 VAL 57 -8.939 -1.147 -6.319 344 H SER 58 H SER 58 -8.333 2.545 -6.643 345 HA SER 58 HA SER 58 -6.544 2.824 -8.870 346 HB3 SER 58 2HB SER 58 -8.089 4.769 -9.307 347 HG SER 58 HG SER 58 -8.620 5.400 -7.205 348 H GLU 59 H GLU 59 -5.026 4.985 -7.545 349 HA GLU 59 HA GLU 59 -3.544 3.674 -5.550 350 HB3 GLU 59 2HB GLU 59 -2.829 5.646 -6.848 351 HG3 GLU 59 2HG GLU 59 -4.460 7.328 -4.886 352 H ILE 60 H ILE 60 -6.683 5.194 -5.187 353 HA ILE 60 HA ILE 60 -6.738 5.761 -2.402 354 HB ILE 60 HB ILE 60 -8.959 4.679 -4.157 355 HG13 ILE 60 2HG1 ILE 60 -9.629 7.052 -4.426 356 HG21 ILE 60 1HG2 ILE 60 -9.057 6.197 -1.527 357 HG22 ILE 60 2HG2 ILE 60 -10.461 5.834 -2.552 358 HG23 ILE 60 3HG2 ILE 60 -9.563 4.518 -1.798 359 HD11 ILE 60 3HD1 ILE 60 -8.449 8.157 -2.515 360 HD12 ILE 60 1HD1 ILE 60 -6.892 7.822 -3.312 361 HD13 ILE 60 2HD1 ILE 60 -8.073 8.889 -4.079 362 H THR 61 H THR 61 -6.764 2.658 -4.002 363 HA THR 61 HA THR 61 -7.443 0.879 -1.892 364 HB THR 61 HB THR 61 -5.382 0.467 -4.123 365 HG1 THR 61 1HG THR 61 -6.958 1.014 -5.295 366 HG21 THR 61 3HG2 THR 61 -5.488 -1.511 -2.704 367 HG22 THR 61 1HG2 THR 61 -6.314 -1.844 -4.229 368 HG23 THR 61 2HG2 THR 61 -7.266 -1.512 -2.771 369 H ILE 62 H ILE 62 -4.566 2.722 -2.415 370 HA ILE 62 HA ILE 62 -3.272 1.318 -0.082 371 HB ILE 62 HB ILE 62 -2.260 0.843 -2.362 372 HG13 ILE 62 2HG1 ILE 62 -0.561 1.931 -0.120 373 HG21 ILE 62 1HG2 ILE 62 -1.180 3.677 -2.148 374 HG22 ILE 62 2HG2 ILE 62 -0.667 2.428 -3.300 375 HG23 ILE 62 3HG2 ILE 62 -2.307 3.047 -3.380 376 HD11 ILE 62 3HD1 ILE 62 -0.050 -0.504 0.214 377 HD12 ILE 62 1HD1 ILE 62 -1.758 -0.157 0.468 378 HD13 ILE 62 2HD1 ILE 62 -1.207 -0.898 -1.062 379 H GLN 63 H GLN 63 -3.706 4.487 -1.585 380 HA GLN 63 HA GLN 63 -2.444 6.216 0.201 381 HB3 GLN 63 2HB GLN 63 -5.068 6.336 -1.316 382 HG3 GLN 63 2HG GLN 63 -5.346 8.112 0.259 383 HE21 GLN 63 1HE2 GLN 63 -2.323 9.031 -1.600 384 HE22 GLN 63 2HE2 GLN 63 -1.678 9.950 -0.244 385 H GLU 64 H GLU 64 -5.941 5.334 0.499 386 HA GLU 64 HA GLU 64 -6.236 6.620 3.018 387 HB3 GLU 64 2HB GLU 64 -8.400 5.369 3.105 388 HG3 GLU 64 2HG GLU 64 -9.379 6.035 0.929 389 H ARG 65 H ARG 65 -5.255 3.369 2.190 390 HA ARG 65 HA ARG 65 -5.701 2.201 4.815 391 HB3 ARG 65 2HB ARG 65 -4.195 1.253 2.337 392 HG3 ARG 65 2HG ARG 65 -5.081 -0.195 4.859 393 HD3 ARG 65 2HD ARG 65 -6.034 -1.446 3.028 394 HE ARG 65 HE ARG 65 -4.775 -0.822 1.078 395 HH11 ARG 65 1HH1 ARG 65 -3.097 -3.297 3.043 396 HH12 ARG 65 2HH1 ARG 65 -2.240 -3.907 1.662 397 HH21 ARG 65 1HH2 ARG 65 -3.815 -1.772 -0.621 398 HH22 ARG 65 2HH2 ARG 65 -2.717 -3.123 -0.402 399 H ILE 66 H ILE 66 -2.908 3.693 3.186 400 HA ILE 66 HA ILE 66 -1.117 3.076 5.484 401 HB ILE 66 HB ILE 66 -0.821 4.776 2.979 402 HG13 ILE 66 2HG1 ILE 66 -0.848 2.241 2.728 403 HG21 ILE 66 1HG2 ILE 66 0.562 5.718 4.868 404 HG22 ILE 66 2HG2 ILE 66 1.334 4.118 5.037 405 HG23 ILE 66 3HG2 ILE 66 1.537 5.073 3.571 406 HD11 ILE 66 3HD1 ILE 66 0.454 3.678 1.143 407 HD12 ILE 66 1HD1 ILE 66 1.902 3.392 2.141 408 HD13 ILE 66 2HD1 ILE 66 1.095 2.041 1.363 409 H ALA 67 H ALA 67 -2.801 5.984 4.184 410 HA ALA 67 HA ALA 67 -1.700 7.748 6.079 411 HB1 ALA 67 1HB ALA 67 -2.720 8.430 3.948 412 HB2 ALA 67 2HB ALA 67 -4.322 7.917 4.514 413 HB3 ALA 67 3HB ALA 67 -3.495 9.280 5.297 414 H ALA 68 H ALA 68 -5.013 6.231 6.136 415 HA ALA 68 HA ALA 68 -5.741 7.514 8.586 416 HB1 ALA 68 1HB ALA 68 -7.306 6.780 6.769 417 HB2 ALA 68 2HB ALA 68 -7.027 5.090 7.255 418 HB3 ALA 68 3HB ALA 68 -7.791 6.226 8.381 419 H LEU 69 H LEU 69 -4.082 4.464 8.055 420 HA LEU 69 HA LEU 69 -4.495 3.558 10.850 421 HB3 LEU 69 2HB LEU 69 -3.204 1.624 10.191 422 HG LEU 69 HG LEU 69 -5.151 2.293 7.934 423 HD11 LEU 69 1HD1 LEU 69 -5.486 -0.044 7.661 424 HD12 LEU 69 2HD1 LEU 69 -4.565 -0.436 9.118 425 HD13 LEU 69 3HD1 LEU 69 -3.736 0.204 7.680 426 HD21 LEU 69 3HD2 LEU 69 -6.370 2.674 10.012 427 HD22 LEU 69 1HD2 LEU 69 -5.778 1.137 10.683 428 HD23 LEU 69 2HD2 LEU 69 -6.899 1.149 9.305 429 H GLY 70 H GLY 70 -2.465 5.789 9.335 430 HA2 GLY 70 2HA GLY 70 -1.751 7.369 11.012 431 HA3 GLY 70 3HA GLY 70 -0.982 6.073 11.919 432 H TYR 71 H TYR 71 -0.419 5.876 8.521 433 HA TYR 71 HA TYR 71 2.393 6.817 8.969 434 HB3 TYR 71 2HB TYR 71 3.010 4.997 7.471 435 HD1 TYR 71 2HD TYR 71 3.883 4.661 9.876 436 HD2 TYR 71 1HD TYR 71 0.043 3.217 8.549 437 HE1 TYR 71 2HE TYR 71 3.765 3.157 11.852 438 HE2 TYR 71 1HE TYR 71 -0.062 1.686 10.508 439 HH TYR 71 HH TYR 71 2.557 1.525 12.940 440 H THR 72 H THR 72 3.410 6.855 6.465 441 HA THR 72 HA THR 72 1.635 8.504 4.741 442 HB THR 72 HB THR 72 3.485 10.101 4.290 443 HG1 THR 72 1HG THR 72 5.335 9.224 4.797 444 HG21 THR 72 3HG2 THR 72 3.436 11.389 6.333 445 HG22 THR 72 1HG2 THR 72 2.916 9.983 7.280 446 HG23 THR 72 2HG2 THR 72 1.834 10.684 6.054 447 H LEU 73 H LEU 73 2.815 8.828 2.495 448 HA LEU 73 HA LEU 73 4.369 6.401 1.760 449 HB3 LEU 73 2HB LEU 73 2.077 5.682 1.537 450 HG LEU 73 HG LEU 73 1.605 8.208 -0.095 451 HD11 LEU 73 1HD1 LEU 73 0.053 5.594 -0.311 452 HD12 LEU 73 2HD1 LEU 73 1.092 6.306 -1.567 453 HD13 LEU 73 3HD1 LEU 73 -0.384 7.138 -1.073 454 HD21 LEU 73 3HD2 LEU 73 0.737 8.298 2.228 455 HD22 LEU 73 1HD2 LEU 73 -0.085 6.743 1.995 456 HD23 LEU 73 2HD2 LEU 73 -0.598 8.178 1.097 457 H ALA 74 H ALA 74 5.314 6.354 -0.310 458 HA ALA 74 HA ALA 74 5.272 8.895 -1.902 459 HB1 ALA 74 1HB ALA 74 7.387 8.721 -0.643 460 HB2 ALA 74 2HB ALA 74 7.661 7.104 -1.321 461 HB3 ALA 74 3HB ALA 74 7.654 8.525 -2.386 462 H GLU 75 H GLU 75 3.415 7.568 -2.807 463 HA GLU 75 HA GLU 75 4.279 5.682 -4.934 464 HB3 GLU 75 2HB GLU 75 1.465 6.687 -4.344 465 HG3 GLU 75 2HG GLU 75 0.859 4.449 -5.358 466 HA PRO 76 HA PRO 76 5.531 9.357 -6.492 467 HB3 PRO 76 2HB PRO 76 7.100 8.311 -7.735 468 HG3 PRO 76 2HG PRO 76 6.603 6.227 -8.760 469 HD3 PRO 76 2HD PRO 76 5.837 6.074 -6.525 Start of MODEL 30 1 H2 PRO 6 2H PRO 6 -9.274 -4.011 -15.877 2 HA PRO 6 HA PRO 6 -7.758 -6.484 -16.209 3 HB3 PRO 6 2HB PRO 6 -6.570 -5.720 -17.965 4 HG3 PRO 6 2HG PRO 6 -8.167 -4.828 -19.395 5 HD3 PRO 6 2HD PRO 6 -9.682 -5.995 -18.012 6 H LEU 7 H LEU 7 -5.501 -6.197 -15.246 7 HA LEU 7 HA LEU 7 -5.220 -4.121 -13.200 8 HB3 LEU 7 2HB LEU 7 -6.674 -5.550 -12.041 9 HG LEU 7 HG LEU 7 -6.010 -7.734 -13.461 10 HD11 LEU 7 1HD1 LEU 7 -4.456 -8.156 -10.883 11 HD12 LEU 7 2HD1 LEU 7 -3.692 -7.887 -12.469 12 HD13 LEU 7 3HD1 LEU 7 -4.693 -9.319 -12.186 13 HD21 LEU 7 3HD2 LEU 7 -7.138 -9.079 -11.741 14 HD22 LEU 7 1HD2 LEU 7 -7.937 -7.511 -11.941 15 HD23 LEU 7 2HD2 LEU 7 -6.882 -7.786 -10.545 16 H LYS 8 H LYS 8 -3.206 -4.051 -12.185 17 HA LYS 8 HA LYS 8 -0.956 -5.534 -13.408 18 HB3 LYS 8 2HB LYS 8 -1.479 -3.706 -14.999 19 HG3 LYS 8 2HG LYS 8 -0.713 -1.790 -12.735 20 HD3 LYS 8 2HD LYS 8 -1.580 -1.331 -15.612 21 HE3 LYS 8 2HE LYS 8 -2.437 0.272 -13.736 22 HZ1 LYS 8 3HZ LYS 8 -0.097 0.602 -12.790 23 HZ2 LYS 8 1HZ LYS 8 -0.926 1.995 -13.158 24 HZ3 LYS 8 2HZ LYS 8 0.258 1.447 -14.122 25 H THR 9 H THR 9 1.038 -5.313 -12.266 26 HA THR 9 HA THR 9 0.680 -4.520 -9.455 27 HB THR 9 HB THR 9 1.894 -6.665 -10.461 28 HG1 THR 9 1HG THR 9 1.342 -6.354 -8.436 29 HG21 THR 9 3HG2 THR 9 3.813 -5.363 -11.460 30 HG22 THR 9 1HG2 THR 9 4.278 -6.584 -10.261 31 HG23 THR 9 2HG2 THR 9 4.271 -4.872 -9.811 32 H GLN 10 H GLN 10 2.385 -3.377 -8.294 33 HA GLN 10 HA GLN 10 3.771 -1.192 -9.665 34 HB3 GLN 10 2HB GLN 10 1.219 -0.742 -8.040 35 HG3 GLN 10 2HG GLN 10 2.780 1.086 -7.566 36 HE21 GLN 10 1HE2 GLN 10 4.669 2.094 -8.226 37 HE22 GLN 10 2HE2 GLN 10 5.033 2.499 -9.902 38 H GLN 11 H GLN 11 5.406 -0.488 -8.391 39 HA GLN 11 HA GLN 11 5.594 -1.282 -5.552 40 HB3 GLN 11 2HB GLN 11 7.495 0.309 -7.320 41 HG3 GLN 11 2HG GLN 11 8.090 -1.322 -4.805 42 HE21 GLN 11 1HE2 GLN 11 9.939 1.314 -4.558 43 HE22 GLN 11 2HE2 GLN 11 11.336 0.817 -5.494 44 H MET 12 H MET 12 5.357 0.092 -3.868 45 HA MET 12 HA MET 12 4.824 3.000 -4.334 46 HB3 MET 12 2HB MET 12 3.267 0.974 -2.695 47 HG3 MET 12 2HG MET 12 3.252 4.001 -2.407 48 HE1 MET 12 3HE MET 12 0.676 3.270 -3.847 49 HE2 MET 12 1HE MET 12 -0.553 3.936 -2.757 50 HE3 MET 12 2HE MET 12 0.953 4.827 -3.023 51 H GLN 13 H GLN 13 5.887 4.344 -2.998 52 HA GLN 13 HA GLN 13 7.832 3.164 -1.073 53 HB3 GLN 13 2HB GLN 13 8.864 5.374 -1.090 54 HG3 GLN 13 2HG GLN 13 9.623 5.602 -3.390 55 HE21 GLN 13 1HE2 GLN 13 11.386 4.532 -2.123 56 HE22 GLN 13 2HE2 GLN 13 11.559 2.787 -2.288 57 H VAL 14 H VAL 14 7.766 3.706 1.126 58 HA VAL 14 HA VAL 14 5.495 5.291 2.169 59 HB VAL 14 HB VAL 14 5.644 2.280 2.293 60 HG11 VAL 14 1HG1 VAL 14 4.287 3.965 4.460 61 HG12 VAL 14 2HG1 VAL 14 4.073 2.226 4.221 62 HG13 VAL 14 3HG1 VAL 14 5.654 2.854 4.697 63 HG21 VAL 14 3HG2 VAL 14 3.337 4.228 2.046 64 HG22 VAL 14 1HG2 VAL 14 4.073 3.266 0.756 65 HG23 VAL 14 2HG2 VAL 14 3.201 2.455 2.051 66 H GLY 15 H GLY 15 5.785 6.033 4.210 67 HA2 GLY 15 2HA GLY 15 8.518 5.672 5.404 68 HA3 GLY 15 3HA GLY 15 7.479 7.090 5.573 69 H GLY 16 H GLY 16 8.441 4.180 6.972 70 HA2 GLY 16 2HA GLY 16 8.372 4.378 9.386 71 HA3 GLY 16 3HA GLY 16 6.649 4.698 9.316 72 H MET 17 H MET 17 7.297 2.099 7.181 73 HA MET 17 HA MET 17 5.969 0.239 8.993 74 HB3 MET 17 2HB MET 17 6.289 -1.405 7.134 75 HG3 MET 17 2HG MET 17 5.235 1.265 6.165 76 HE1 MET 17 3HE MET 17 6.151 0.528 3.767 77 HE2 MET 17 1HE MET 17 6.652 -1.134 4.154 78 HE3 MET 17 2HE MET 17 5.505 -0.844 2.836 79 H ARG 18 H ARG 18 9.284 1.059 8.765 80 HA ARG 18 HA ARG 18 10.019 -1.519 10.086 81 HB3 ARG 18 2HB ARG 18 12.335 -1.015 9.585 82 HG3 ARG 18 2HG ARG 18 10.723 -0.513 7.044 83 HD3 ARG 18 2HD ARG 18 12.497 -1.916 6.020 84 HE ARG 18 HE ARG 18 12.923 0.478 5.848 85 HH11 ARG 18 1HH1 ARG 18 14.964 -1.077 8.359 86 HH12 ARG 18 2HH1 ARG 18 16.295 -0.035 7.905 87 HH21 ARG 18 1HH2 ARG 18 14.627 1.754 5.520 88 HH22 ARG 18 2HH2 ARG 18 16.129 1.498 6.414 89 H CYS 19 H CYS 19 9.350 1.739 10.801 90 HA CYS 19 HA CYS 19 10.936 2.074 13.181 91 HB3 CYS 19 2HB CYS 19 9.137 3.797 13.647 92 HG CYS 19 HG CYS 19 10.348 3.698 10.542 93 H ALA 20 H ALA 20 8.076 0.166 12.611 94 HA ALA 20 HA ALA 20 8.283 -1.136 15.173 95 HB1 ALA 20 1HB ALA 20 6.875 0.817 15.842 96 HB2 ALA 20 2HB ALA 20 5.742 0.449 14.533 97 HB3 ALA 20 3HB ALA 20 5.942 -0.689 15.882 98 H ALA 21 H ALA 21 7.044 -3.200 15.088 99 HA ALA 21 HA ALA 21 6.766 -4.281 12.451 100 HB1 ALA 21 1HB ALA 21 7.362 -5.656 14.379 101 HB2 ALA 21 2HB ALA 21 5.783 -5.331 15.134 102 HB3 ALA 21 3HB ALA 21 5.877 -6.263 13.626 103 H CYS 22 H CYS 22 5.371 -3.442 11.105 104 HA CYS 22 HA CYS 22 2.464 -3.179 11.779 105 HB3 CYS 22 2HB CYS 22 2.535 -0.981 10.560 106 HG CYS 22 HG CYS 22 4.820 -1.179 12.917 107 H ALA 23 H ALA 23 4.650 -4.513 9.558 108 HA ALA 23 HA ALA 23 3.474 -4.293 7.035 109 HB1 ALA 23 1HB ALA 23 4.585 -6.768 8.440 110 HB2 ALA 23 2HB ALA 23 4.340 -6.593 6.690 111 HB3 ALA 23 3HB ALA 23 5.507 -5.553 7.526 112 H SER 24 H SER 24 2.332 -6.358 9.779 113 HA SER 24 HA SER 24 0.133 -7.505 8.232 114 HB3 SER 24 2HB SER 24 -0.577 -8.487 10.310 115 HG SER 24 HG SER 24 1.505 -9.162 9.255 116 H SER 25 H SER 25 0.439 -4.501 10.117 117 HA SER 25 HA SER 25 -2.433 -4.104 10.355 118 HB3 SER 25 2HB SER 25 -1.949 -2.087 11.411 119 HG SER 25 HG SER 25 -0.105 -2.455 12.738 120 H ILE 26 H ILE 26 -0.117 -3.650 7.861 121 HA ILE 26 HA ILE 26 -2.070 -2.271 6.070 122 HB ILE 26 HB ILE 26 0.778 -3.296 5.689 123 HG13 ILE 26 2HG1 ILE 26 -0.519 -0.550 5.688 124 HG21 ILE 26 1HG2 ILE 26 -0.389 -3.896 3.636 125 HG22 ILE 26 2HG2 ILE 26 -1.082 -2.256 3.519 126 HG23 ILE 26 3HG2 ILE 26 0.670 -2.533 3.355 127 HD11 ILE 26 3HD1 ILE 26 0.718 -1.218 7.758 128 HD12 ILE 26 1HD1 ILE 26 2.153 -1.560 6.776 129 HD13 ILE 26 2HD1 ILE 26 1.534 0.102 6.895 130 H GLU 27 H GLU 27 -0.414 -5.481 6.205 131 HA GLU 27 HA GLU 27 -1.855 -6.343 3.904 132 HB3 GLU 27 2HB GLU 27 -0.842 -8.592 4.433 133 HG3 GLU 27 2HG GLU 27 1.073 -6.235 4.493 134 H ARG 28 H ARG 28 -2.773 -6.581 7.269 135 HA ARG 28 HA ARG 28 -4.850 -8.592 6.847 136 HB3 ARG 28 2HB ARG 28 -4.528 -6.725 9.218 137 HG3 ARG 28 2HG ARG 28 -5.504 -9.612 8.997 138 HD3 ARG 28 2HD ARG 28 -6.116 -9.421 11.353 139 HE ARG 28 HE ARG 28 -3.481 -8.414 11.880 140 HH11 ARG 28 1HH1 ARG 28 -4.953 -11.219 10.220 141 HH12 ARG 28 2HH1 ARG 28 -3.483 -12.147 10.479 142 HH21 ARG 28 1HH2 ARG 28 -1.791 -9.838 12.295 143 HH22 ARG 28 2HH2 ARG 28 -1.846 -11.440 11.577 144 H ALA 29 H ALA 29 -4.614 -5.271 6.112 145 HA ALA 29 HA ALA 29 -7.598 -5.063 5.842 146 HB1 ALA 29 1HB ALA 29 -5.415 -2.947 5.709 147 HB2 ALA 29 2HB ALA 29 -7.153 -2.665 5.438 148 HB3 ALA 29 3HB ALA 29 -6.577 -3.187 7.034 149 H LEU 30 H LEU 30 -4.531 -5.060 4.034 150 HA LEU 30 HA LEU 30 -5.523 -4.080 1.625 151 HB3 LEU 30 2HB LEU 30 -3.087 -5.841 2.078 152 HG LEU 30 HG LEU 30 -3.091 -5.336 -0.263 153 HD11 LEU 30 1HD1 LEU 30 -3.773 -2.462 0.483 154 HD12 LEU 30 2HD1 LEU 30 -4.776 -3.592 -0.457 155 HD13 LEU 30 3HD1 LEU 30 -3.267 -2.997 -1.139 156 HD21 LEU 30 3HD2 LEU 30 -1.402 -3.268 1.215 157 HD22 LEU 30 1HD2 LEU 30 -1.126 -3.828 -0.438 158 HD23 LEU 30 2HD2 LEU 30 -0.955 -4.964 0.918 159 H GLU 31 H GLU 31 -6.479 -7.092 2.704 160 HA GLU 31 HA GLU 31 -7.313 -7.769 -0.103 161 HB3 GLU 31 2HB GLU 31 -7.582 -10.008 0.539 162 HG3 GLU 31 2HG GLU 31 -5.052 -9.396 2.078 163 H ARG 32 H ARG 32 -8.407 -6.666 2.994 164 HA ARG 32 HA ARG 32 -11.235 -7.334 2.663 165 HB3 ARG 32 2HB ARG 32 -11.580 -5.693 4.459 166 HG3 ARG 32 2HG ARG 32 -9.220 -7.529 5.073 167 HD3 ARG 32 2HD ARG 32 -11.293 -6.225 6.883 168 HE ARG 32 HE ARG 32 -9.921 -8.635 7.295 169 HH11 ARG 32 1HH1 ARG 32 -9.639 -5.513 9.000 170 HH12 ARG 32 2HH1 ARG 32 -9.224 -6.353 10.483 171 HH21 ARG 32 1HH2 ARG 32 -9.817 -9.513 9.369 172 HH22 ARG 32 2HH2 ARG 32 -9.246 -8.457 10.661 173 H LEU 33 H LEU 33 -9.005 -4.798 1.622 174 HA LEU 33 HA LEU 33 -10.910 -2.833 0.790 175 HB3 LEU 33 2HB LEU 33 -9.137 -1.925 -0.603 176 HG LEU 33 HG LEU 33 -7.692 -3.046 1.804 177 HD11 LEU 33 1HD1 LEU 33 -7.262 -0.453 0.313 178 HD12 LEU 33 2HD1 LEU 33 -6.326 -1.932 0.048 179 HD13 LEU 33 3HD1 LEU 33 -6.268 -1.116 1.623 180 HD21 LEU 33 3HD2 LEU 33 -9.427 -0.550 1.675 181 HD22 LEU 33 1HD2 LEU 33 -8.331 -0.981 3.009 182 HD23 LEU 33 2HD2 LEU 33 -9.732 -1.999 2.665 183 H LYS 34 H LYS 34 -11.642 -2.221 -1.265 184 HA LYS 34 HA LYS 34 -12.445 -4.391 -3.074 185 HB3 LYS 34 2HB LYS 34 -13.499 -2.380 -4.287 186 HG3 LYS 34 2HG LYS 34 -14.265 -2.922 -1.381 187 HD3 LYS 34 2HD LYS 34 -15.743 -1.533 -3.646 188 HE3 LYS 34 2HE LYS 34 -16.778 -2.499 -0.951 189 HZ1 LYS 34 3HZ LYS 34 -17.690 -0.354 -1.364 190 HZ2 LYS 34 1HZ LYS 34 -18.863 -1.428 -1.857 191 HZ3 LYS 34 2HZ LYS 34 -17.933 -0.638 -2.951 192 H GLY 35 H GLY 35 -12.090 -4.206 -5.445 193 HA2 GLY 35 2HA GLY 35 -10.958 -3.826 -7.390 194 HA3 GLY 35 3HA GLY 35 -10.282 -2.380 -6.627 195 H VAL 36 H VAL 36 -8.703 -3.655 -4.649 196 HA VAL 36 HA VAL 36 -6.297 -4.362 -5.996 197 HB VAL 36 HB VAL 36 -5.446 -5.048 -3.778 198 HG11 VAL 36 1HG1 VAL 36 -7.028 -2.438 -3.709 199 HG12 VAL 36 2HG1 VAL 36 -5.639 -2.858 -2.690 200 HG13 VAL 36 3HG1 VAL 36 -5.421 -2.668 -4.433 201 HG21 VAL 36 3HG2 VAL 36 -8.290 -4.503 -2.794 202 HG22 VAL 36 1HG2 VAL 36 -7.474 -6.079 -2.809 203 HG23 VAL 36 2HG2 VAL 36 -6.875 -4.778 -1.775 204 H ALA 37 H ALA 37 -5.090 -6.346 -5.970 205 HA ALA 37 HA ALA 37 -6.769 -8.839 -5.997 206 HB1 ALA 37 1HB ALA 37 -4.931 -7.789 -8.194 207 HB2 ALA 37 2HB ALA 37 -5.834 -9.317 -8.233 208 HB3 ALA 37 3HB ALA 37 -6.710 -7.775 -8.219 209 H GLU 38 H GLU 38 -3.428 -7.589 -5.626 210 HA GLU 38 HA GLU 38 -2.630 -9.928 -4.160 211 HB3 GLU 38 2HB GLU 38 -1.464 -9.650 -6.955 212 HG3 GLU 38 2HG GLU 38 -0.870 -11.636 -4.725 213 H ALA 39 H ALA 39 -1.346 -9.013 -2.606 214 HA ALA 39 HA ALA 39 0.702 -7.006 -3.437 215 HB1 ALA 39 1HB ALA 39 -0.135 -5.415 -1.808 216 HB2 ALA 39 2HB ALA 39 -1.455 -5.862 -2.906 217 HB3 ALA 39 3HB ALA 39 -1.390 -6.563 -1.277 218 H SER 40 H SER 40 2.272 -6.432 -1.916 219 HA SER 40 HA SER 40 2.727 -8.216 0.436 220 HB3 SER 40 2HB SER 40 4.995 -8.748 -0.364 221 HG SER 40 HG SER 40 3.449 -9.511 -2.561 222 H VAL 41 H VAL 41 3.407 -6.966 2.103 223 HA VAL 41 HA VAL 41 5.011 -4.488 1.668 224 HB VAL 41 HB VAL 41 4.205 -5.980 4.204 225 HG11 VAL 41 1HG1 VAL 41 6.344 -4.923 4.664 226 HG12 VAL 41 2HG1 VAL 41 5.834 -3.426 3.858 227 HG13 VAL 41 3HG1 VAL 41 5.090 -3.921 5.391 228 HG21 VAL 41 3HG2 VAL 41 2.786 -4.041 4.655 229 HG22 VAL 41 1HG2 VAL 41 3.325 -3.255 3.160 230 HG23 VAL 41 2HG2 VAL 41 2.346 -4.737 3.089 231 H THR 42 H THR 42 7.223 -4.516 1.639 232 HA THR 42 HA THR 42 8.662 -7.067 2.309 233 HB THR 42 HB THR 42 9.571 -4.739 0.600 234 HG1 THR 42 1HG THR 42 9.247 -7.372 -0.288 235 HG21 THR 42 3HG2 THR 42 11.406 -6.403 0.011 236 HG22 THR 42 1HG2 THR 42 10.874 -7.402 1.368 237 HG23 THR 42 2HG2 THR 42 11.508 -5.777 1.660 238 H VAL 43 H VAL 43 9.211 -7.032 4.402 239 HA VAL 43 HA VAL 43 9.491 -4.578 5.919 240 HB VAL 43 HB VAL 43 9.926 -7.505 6.590 241 HG11 VAL 43 1HG1 VAL 43 9.973 -6.802 9.002 242 HG12 VAL 43 2HG1 VAL 43 11.422 -6.323 8.123 243 HG13 VAL 43 3HG1 VAL 43 10.164 -5.114 8.481 244 HG21 VAL 43 3HG2 VAL 43 7.586 -6.727 6.231 245 HG22 VAL 43 1HG2 VAL 43 7.866 -7.121 7.931 246 HG23 VAL 43 2HG2 VAL 43 7.845 -5.425 7.410 247 H ALA 44 H ALA 44 11.792 -6.757 4.294 248 HA ALA 44 HA ALA 44 14.206 -5.857 5.501 249 HB1 ALA 44 1HB ALA 44 15.242 -6.917 3.516 250 HB2 ALA 44 2HB ALA 44 13.958 -7.929 4.199 251 HB3 ALA 44 3HB ALA 44 13.656 -6.991 2.720 252 H THR 45 H THR 45 12.206 -4.194 3.160 253 HA THR 45 HA THR 45 14.309 -2.071 2.816 254 HB THR 45 HB THR 45 12.994 -1.474 0.732 255 HG1 THR 45 1HG THR 45 11.972 -3.582 -0.051 256 HG21 THR 45 3HG2 THR 45 14.227 -4.262 0.654 257 HG22 THR 45 1HG2 THR 45 15.176 -2.763 0.727 258 HG23 THR 45 2HG2 THR 45 14.136 -3.050 -0.653 259 H GLY 46 H GLY 46 10.857 -2.689 3.436 260 HA2 GLY 46 2HA GLY 46 9.464 -1.359 4.804 261 HA3 GLY 46 3HA GLY 46 10.632 -0.009 4.721 262 H ARG 47 H ARG 47 9.262 -1.912 2.024 263 HA ARG 47 HA ARG 47 7.656 0.423 1.143 264 HB3 ARG 47 2HB ARG 47 9.969 0.380 0.057 265 HG3 ARG 47 2HG ARG 47 8.719 -1.693 -1.764 266 HD3 ARG 47 2HD ARG 47 11.589 -0.703 -1.491 267 HE ARG 47 HE ARG 47 10.428 -2.842 -2.975 268 HH11 ARG 47 1HH1 ARG 47 12.779 -0.233 -3.441 269 HH12 ARG 47 2HH1 ARG 47 13.595 -1.086 -4.721 270 HH21 ARG 47 1HH2 ARG 47 11.488 -3.838 -4.703 271 HH22 ARG 47 2HH2 ARG 47 12.806 -3.005 -5.495 272 H LEU 48 H LEU 48 6.282 -0.205 -0.809 273 HA LEU 48 HA LEU 48 4.989 -2.844 -0.230 274 HB3 LEU 48 2HB LEU 48 3.108 -1.167 -1.491 275 HG LEU 48 HG LEU 48 3.540 -1.626 1.485 276 HD11 LEU 48 1HD1 LEU 48 1.183 -0.456 -0.047 277 HD12 LEU 48 2HD1 LEU 48 2.242 0.429 1.072 278 HD13 LEU 48 3HD1 LEU 48 1.179 -0.850 1.689 279 HD21 LEU 48 3HD2 LEU 48 1.651 -2.904 -0.572 280 HD22 LEU 48 1HD2 LEU 48 1.595 -3.203 1.175 281 HD23 LEU 48 2HD2 LEU 48 3.006 -3.703 0.247 282 H THR 49 H THR 49 4.068 -3.969 -1.865 283 HA THR 49 HA THR 49 4.280 -2.966 -4.632 284 HB THR 49 HB THR 49 4.857 -5.881 -3.991 285 HG1 THR 49 1HG THR 49 6.611 -4.717 -3.416 286 HG21 THR 49 3HG2 THR 49 5.009 -4.223 -6.564 287 HG22 THR 49 1HG2 THR 49 3.811 -5.494 -6.212 288 HG23 THR 49 2HG2 THR 49 5.514 -5.914 -6.395 289 H VAL 50 H VAL 50 2.337 -3.085 -5.572 290 HA VAL 50 HA VAL 50 0.190 -4.805 -4.411 291 HB VAL 50 HB VAL 50 0.106 -2.765 -3.141 292 HG11 VAL 50 1HG1 VAL 50 -0.294 -0.549 -4.057 293 HG12 VAL 50 2HG1 VAL 50 1.234 -1.180 -4.673 294 HG13 VAL 50 3HG1 VAL 50 -0.207 -1.164 -5.714 295 HG21 VAL 50 3HG2 VAL 50 -2.062 -3.774 -3.691 296 HG22 VAL 50 1HG2 VAL 50 -2.191 -2.011 -3.567 297 HG23 VAL 50 2HG2 VAL 50 -2.177 -2.785 -5.158 298 H THR 51 H THR 51 -0.995 -5.758 -5.876 299 HA THR 51 HA THR 51 -1.221 -4.673 -8.641 300 HB THR 51 HB THR 51 -2.029 -7.397 -7.540 301 HG1 THR 51 1HG THR 51 -0.214 -8.066 -8.751 302 HG21 THR 51 3HG2 THR 51 -1.747 -6.447 -10.442 303 HG22 THR 51 1HG2 THR 51 -3.295 -6.635 -9.612 304 HG23 THR 51 2HG2 THR 51 -2.267 -8.043 -9.889 305 H TYR 52 H TYR 52 -2.971 -3.703 -9.270 306 HA TYR 52 HA TYR 52 -5.589 -4.222 -8.050 307 HB3 TYR 52 2HB TYR 52 -4.576 -2.522 -6.584 308 HD1 TYR 52 2HD TYR 52 -2.308 -1.630 -7.157 309 HD2 TYR 52 1HD TYR 52 -5.895 -0.067 -8.961 310 HE1 TYR 52 2HE TYR 52 -1.073 0.418 -7.824 311 HE2 TYR 52 1HE TYR 52 -4.668 1.987 -9.618 312 HH TYR 52 HH TYR 52 -1.220 2.539 -8.846 313 H ASP 53 H ASP 53 -7.367 -3.041 -9.170 314 HA ASP 53 HA ASP 53 -6.956 -2.935 -12.079 315 HB3 ASP 53 2HB ASP 53 -9.414 -2.892 -10.292 316 HA PRO 54 HA PRO 54 -6.278 1.400 -10.979 317 HB3 PRO 54 2HB PRO 54 -4.371 1.197 -12.310 318 HG3 PRO 54 2HG PRO 54 -4.455 0.045 -14.426 319 HD3 PRO 54 2HD PRO 54 -5.095 -1.478 -12.742 320 H LYS 55 H LYS 55 -8.845 0.229 -12.542 321 HA LYS 55 HA LYS 55 -9.947 2.897 -13.427 322 HB3 LYS 55 2HB LYS 55 -11.198 1.768 -15.138 323 HG3 LYS 55 2HG LYS 55 -9.579 0.776 -16.644 324 HD3 LYS 55 2HD LYS 55 -7.772 2.369 -16.768 325 HE3 LYS 55 2HE LYS 55 -8.882 4.563 -16.526 326 HZ1 LYS 55 3HZ LYS 55 -10.793 4.097 -17.897 327 HZ2 LYS 55 1HZ LYS 55 -10.775 2.516 -17.535 328 HZ3 LYS 55 2HZ LYS 55 -9.534 3.159 -18.409 329 H GLN 56 H GLN 56 -10.568 -0.235 -11.870 330 HA GLN 56 HA GLN 56 -13.102 0.715 -10.682 331 HB3 GLN 56 2HB GLN 56 -12.864 -1.291 -9.241 332 HG3 GLN 56 2HG GLN 56 -12.470 -1.960 -12.194 333 HE21 GLN 56 1HE2 GLN 56 -11.927 -4.226 -11.800 334 HE22 GLN 56 2HE2 GLN 56 -13.024 -5.268 -10.888 335 H VAL 57 H VAL 57 -9.609 0.701 -9.663 336 HA VAL 57 HA VAL 57 -10.410 2.645 -7.561 337 HB VAL 57 HB VAL 57 -9.052 1.628 -5.823 338 HG11 VAL 57 1HG1 VAL 57 -11.443 1.179 -5.819 339 HG12 VAL 57 2HG1 VAL 57 -11.204 -0.294 -6.787 340 HG13 VAL 57 3HG1 VAL 57 -10.536 -0.180 -5.146 341 HG21 VAL 57 3HG2 VAL 57 -7.472 0.287 -7.173 342 HG22 VAL 57 1HG2 VAL 57 -8.273 -0.715 -5.959 343 HG23 VAL 57 2HG2 VAL 57 -8.785 -0.808 -7.655 344 H SER 58 H SER 58 -8.375 3.490 -6.405 345 HA SER 58 HA SER 58 -6.041 3.833 -8.214 346 HB3 SER 58 2HB SER 58 -7.674 5.602 -8.807 347 HG SER 58 HG SER 58 -8.833 6.095 -7.069 348 H GLU 59 H GLU 59 -4.533 5.573 -6.851 349 HA GLU 59 HA GLU 59 -3.648 4.336 -4.517 350 HB3 GLU 59 2HB GLU 59 -2.268 5.992 -5.606 351 HG3 GLU 59 2HG GLU 59 -4.448 7.950 -4.888 352 H ILE 60 H ILE 60 -6.421 6.444 -4.766 353 HA ILE 60 HA ILE 60 -6.936 7.299 -2.123 354 HB ILE 60 HB ILE 60 -8.624 6.435 -4.481 355 HG13 ILE 60 2HG1 ILE 60 -7.333 8.591 -4.487 356 HG21 ILE 60 1HG2 ILE 60 -9.745 7.291 -1.807 357 HG22 ILE 60 2HG2 ILE 60 -10.670 7.251 -3.333 358 HG23 ILE 60 3HG2 ILE 60 -10.023 5.757 -2.694 359 HD11 ILE 60 3HD1 ILE 60 -10.314 9.175 -4.432 360 HD12 ILE 60 1HD1 ILE 60 -9.041 10.029 -5.311 361 HD13 ILE 60 2HD1 ILE 60 -9.484 8.384 -5.794 362 H THR 61 H THR 61 -7.492 4.048 -3.504 363 HA THR 61 HA THR 61 -8.984 3.057 -1.238 364 HB THR 61 HB THR 61 -7.624 1.817 -3.635 365 HG1 THR 61 1HG THR 61 -9.600 2.712 -3.958 366 HG21 THR 61 3HG2 THR 61 -8.934 0.311 -1.337 367 HG22 THR 61 1HG2 THR 61 -7.303 0.056 -2.010 368 HG23 THR 61 2HG2 THR 61 -8.725 -0.343 -2.979 369 H ILE 62 H ILE 62 -5.494 3.019 -1.936 370 HA ILE 62 HA ILE 62 -5.043 1.536 0.621 371 HB ILE 62 HB ILE 62 -4.067 0.850 -1.625 372 HG13 ILE 62 2HG1 ILE 62 -3.473 -0.144 0.487 373 HG21 ILE 62 1HG2 ILE 62 -2.022 1.857 -2.388 374 HG22 ILE 62 2HG2 ILE 62 -3.267 3.099 -2.325 375 HG23 ILE 62 3HG2 ILE 62 -2.032 3.033 -1.049 376 HD11 ILE 62 3HD1 ILE 62 -0.895 0.321 -1.082 377 HD12 ILE 62 1HD1 ILE 62 -1.302 -1.054 -0.021 378 HD13 ILE 62 2HD1 ILE 62 -2.160 -0.824 -1.558 379 H GLN 63 H GLN 63 -4.666 4.733 -0.689 380 HA GLN 63 HA GLN 63 -3.056 6.058 1.179 381 HB3 GLN 63 2HB GLN 63 -5.695 6.962 -0.073 382 HG3 GLN 63 2HG GLN 63 -3.305 8.703 0.608 383 HE21 GLN 63 1HE2 GLN 63 -4.056 9.294 -1.881 384 HE22 GLN 63 2HE2 GLN 63 -5.301 10.522 -1.892 385 H GLU 64 H GLU 64 -6.616 5.541 1.416 386 HA GLU 64 HA GLU 64 -6.742 6.658 4.057 387 HB3 GLU 64 2HB GLU 64 -9.113 5.879 3.972 388 HG3 GLU 64 2HG GLU 64 -8.230 7.275 1.412 389 H ARG 65 H ARG 65 -5.381 3.795 3.312 390 HA ARG 65 HA ARG 65 -5.904 2.776 6.068 391 HB3 ARG 65 2HB ARG 65 -4.249 1.154 4.160 392 HG3 ARG 65 2HG ARG 65 -5.344 -0.711 5.222 393 HD3 ARG 65 2HD ARG 65 -4.665 1.344 7.362 394 HE ARG 65 HE ARG 65 -4.481 -1.378 8.207 395 HH11 ARG 65 1HH1 ARG 65 -6.959 1.215 7.906 396 HH12 ARG 65 2HH1 ARG 65 -7.502 0.936 9.535 397 HH21 ARG 65 1HH2 ARG 65 -5.600 -1.864 10.155 398 HH22 ARG 65 2HH2 ARG 65 -7.027 -0.942 10.526 399 H ILE 66 H ILE 66 -3.172 3.410 3.734 400 HA ILE 66 HA ILE 66 -1.197 3.045 5.820 401 HB ILE 66 HB ILE 66 -0.905 4.522 3.183 402 HG13 ILE 66 2HG1 ILE 66 -1.608 1.960 3.180 403 HG21 ILE 66 1HG2 ILE 66 0.944 5.079 4.716 404 HG22 ILE 66 2HG2 ILE 66 1.158 3.360 5.133 405 HG23 ILE 66 3HG2 ILE 66 1.550 3.953 3.514 406 HD11 ILE 66 3HD1 ILE 66 -0.104 1.503 1.281 407 HD12 ILE 66 1HD1 ILE 66 -0.903 3.077 1.160 408 HD13 ILE 66 2HD1 ILE 66 0.810 2.975 1.634 409 H ALA 67 H ALA 67 -2.735 6.064 4.614 410 HA ALA 67 HA ALA 67 -1.166 7.776 6.338 411 HB1 ALA 67 1HB ALA 67 -3.896 8.191 5.027 412 HB2 ALA 67 2HB ALA 67 -2.867 9.453 5.722 413 HB3 ALA 67 3HB ALA 67 -2.319 8.560 4.292 414 H ALA 68 H ALA 68 -4.067 5.823 6.834 415 HA ALA 68 HA ALA 68 -4.954 7.174 9.255 416 HB1 ALA 68 1HB ALA 68 -6.518 6.090 7.675 417 HB2 ALA 68 2HB ALA 68 -5.789 4.505 8.026 418 HB3 ALA 68 3HB ALA 68 -6.640 5.393 9.301 419 H LEU 69 H LEU 69 -2.887 4.372 8.587 420 HA LEU 69 HA LEU 69 -2.437 3.535 11.342 421 HB3 LEU 69 2HB LEU 69 -0.339 2.600 10.359 422 HG LEU 69 HG LEU 69 -2.875 1.995 8.782 423 HD11 LEU 69 1HD1 LEU 69 -0.829 1.330 7.578 424 HD12 LEU 69 2HD1 LEU 69 -1.713 -0.088 8.162 425 HD13 LEU 69 3HD1 LEU 69 -0.260 0.464 9.024 426 HD21 LEU 69 3HD2 LEU 69 -3.196 1.484 11.158 427 HD22 LEU 69 1HD2 LEU 69 -1.641 0.622 11.211 428 HD23 LEU 69 2HD2 LEU 69 -2.993 -0.015 10.252 429 H GLY 70 H GLY 70 -1.851 6.569 10.000 430 HA2 GLY 70 2HA GLY 70 -0.802 8.407 10.971 431 HA3 GLY 70 3HA GLY 70 0.109 7.337 12.067 432 H TYR 71 H TYR 71 0.549 5.950 9.152 433 HA TYR 71 HA TYR 71 3.216 7.149 8.779 434 HB3 TYR 71 2HB TYR 71 3.523 5.152 7.292 435 HD1 TYR 71 1HD TYR 71 4.645 5.949 9.869 436 HD2 TYR 71 2HD TYR 71 1.882 2.763 8.958 437 HE1 TYR 71 1HE TYR 71 5.415 4.727 11.868 438 HE2 TYR 71 2HE TYR 71 2.651 1.532 10.971 439 HH TYR 71 HH TYR 71 4.104 1.512 12.752 440 H THR 72 H THR 72 3.742 6.797 6.130 441 HA THR 72 HA THR 72 1.928 8.682 4.706 442 HB THR 72 HB THR 72 4.063 9.966 4.052 443 HG1 THR 72 1HG THR 72 5.692 8.789 4.679 444 HG21 THR 72 3HG2 THR 72 2.471 10.909 5.696 445 HG22 THR 72 1HG2 THR 72 4.147 11.334 6.059 446 HG23 THR 72 2HG2 THR 72 3.333 10.080 7.011 447 H LEU 73 H LEU 73 2.411 8.858 2.388 448 HA LEU 73 HA LEU 73 3.773 6.481 1.249 449 HB3 LEU 73 2HB LEU 73 1.501 5.727 1.859 450 HG LEU 73 HG LEU 73 0.586 8.023 0.091 451 HD11 LEU 73 1HD1 LEU 73 -0.873 5.373 0.401 452 HD12 LEU 73 2HD1 LEU 73 -0.128 5.997 -1.087 453 HD13 LEU 73 3HD1 LEU 73 -1.505 6.844 -0.382 454 HD21 LEU 73 3HD2 LEU 73 -0.639 6.727 2.572 455 HD22 LEU 73 1HD2 LEU 73 -1.269 8.141 1.705 456 HD23 LEU 73 2HD2 LEU 73 0.272 8.245 2.552 457 H ALA 74 H ALA 74 3.983 6.382 -1.012 458 HA ALA 74 HA ALA 74 3.178 8.624 -2.723 459 HB1 ALA 74 1HB ALA 74 5.520 9.086 -3.420 460 HB2 ALA 74 2HB ALA 74 5.226 9.516 -1.725 461 HB3 ALA 74 3HB ALA 74 6.105 8.021 -2.132 462 H GLU 75 H GLU 75 2.667 7.924 -4.661 463 HA GLU 75 HA GLU 75 4.252 5.812 -6.012 464 HB3 GLU 75 2HB GLU 75 1.202 5.930 -6.067 465 HG3 GLU 75 2HG GLU 75 1.608 3.406 -6.491 466 HA PRO 76 HA PRO 76 4.084 9.648 -8.366 467 HB3 PRO 76 2HB PRO 76 6.375 9.558 -8.259 468 HG3 PRO 76 2HG PRO 76 7.561 7.512 -8.555 469 HD3 PRO 76 2HD PRO 76 6.030 7.037 -6.844
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