NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
23916 | 2jz5 | 15608 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA ALA 1 HA ALA 1 9.323 -4.394 -18.121 2 H1 ALA 1 1HT ALA 1 9.211 -5.865 -20.003 3 H2 ALA 1 2HT ALA 1 7.875 -6.121 -18.990 4 H3 ALA 1 3HT ALA 1 9.165 -7.224 -18.988 5 HB1 ALA 1 2HB ALA 1 9.551 -5.289 -15.863 6 HB2 ALA 1 3HB ALA 1 9.337 -6.927 -16.480 7 HB3 ALA 1 1HB ALA 1 8.011 -5.767 -16.576 8 H GLY 2 HN GLY 2 11.351 -3.686 -17.526 9 HA2 GLY 2 2HA GLY 2 13.567 -5.457 -18.332 10 HA3 GLY 2 1HA GLY 2 13.641 -3.700 -18.261 11 H GLU 3 HN GLU 3 15.602 -4.054 -17.003 12 HA GLU 3 HA GLU 3 15.141 -4.940 -14.257 13 HB2 GLU 3 2HB GLU 3 17.228 -5.586 -15.516 14 HB3 GLU 3 1HB GLU 3 17.693 -3.891 -15.472 15 HG2 GLU 3 2HG GLU 3 18.776 -5.259 -13.724 16 HG3 GLU 3 1HG GLU 3 17.835 -3.912 -13.088 17 H ILE 4 HN ILE 4 14.916 -3.581 -12.593 18 HA ILE 4 HA ILE 4 14.984 -0.697 -13.211 19 HB ILE 4 HB ILE 4 13.099 -1.908 -11.200 20 HG12 ILE 4 2HG1 ILE 4 12.761 -2.998 -13.437 21 HG13 ILE 4 1HG1 ILE 4 11.372 -2.096 -12.855 22 HG21 ILE 4 1HG2 ILE 4 11.789 0.119 -11.678 23 HG22 ILE 4 2HG2 ILE 4 13.034 0.641 -12.812 24 HG23 ILE 4 3HG2 ILE 4 13.409 0.494 -11.095 25 HD11 ILE 4 3HD1 ILE 4 11.713 -1.739 -15.227 26 HD12 ILE 4 1HD1 ILE 4 13.351 -1.165 -14.922 27 HD13 ILE 4 2HD1 ILE 4 11.970 -0.239 -14.335 28 H GLY 5 HN GLY 5 15.213 0.668 -11.221 29 HA2 GLY 5 2HA GLY 5 17.433 -0.367 -9.679 30 HA3 GLY 5 1HA GLY 5 16.869 1.292 -9.720 31 H PHE 6 HN PHE 6 15.580 -1.847 -8.780 32 HA PHE 6 HA PHE 6 14.915 -0.706 -6.144 33 HD1 PHE 6 1HD PHE 6 12.294 -0.252 -5.235 34 HD2 PHE 6 2HD PHE 6 12.374 -1.254 -9.369 35 HE1 PHE 6 1HE PHE 6 10.689 1.553 -5.699 36 HE2 PHE 6 2HE PHE 6 10.774 0.554 -9.843 37 HZ PHE 6 HZ PHE 6 9.927 1.960 -8.007 38 HB2 PHE 6 2HB PHE 6 13.347 -2.696 -7.788 39 HB3 PHE 6 1HB PHE 6 13.085 -2.474 -6.069 40 H ILE 7 HN ILE 7 14.942 -2.299 -4.389 41 HA ILE 7 HA ILE 7 17.104 -4.176 -4.636 42 HB ILE 7 HB ILE 7 15.195 -3.795 -2.320 43 HG12 ILE 7 2HG1 ILE 7 17.955 -2.630 -2.750 44 HG13 ILE 7 1HG1 ILE 7 16.449 -1.735 -2.913 45 HG21 ILE 7 1HG2 ILE 7 17.894 -5.134 -2.469 46 HG22 ILE 7 2HG2 ILE 7 16.339 -5.938 -2.250 47 HG23 ILE 7 3HG2 ILE 7 16.963 -4.867 -0.994 48 HD11 ILE 7 3HD1 ILE 7 15.974 -2.081 -0.553 49 HD12 ILE 7 1HD1 ILE 7 17.536 -1.296 -0.782 50 HD13 ILE 7 2HD1 ILE 7 17.464 -3.011 -0.383 51 H ILE 8 HN ILE 8 13.791 -4.643 -3.425 52 HA ILE 8 HA ILE 8 13.718 -7.297 -4.617 53 HB ILE 8 HB ILE 8 11.699 -5.861 -2.875 54 HG12 ILE 8 2HG1 ILE 8 13.547 -8.179 -2.269 55 HG13 ILE 8 1HG1 ILE 8 13.809 -6.517 -1.749 56 HG21 ILE 8 1HG2 ILE 8 11.683 -8.703 -3.892 57 HG22 ILE 8 2HG2 ILE 8 10.568 -7.420 -4.362 58 HG23 ILE 8 3HG2 ILE 8 10.560 -8.034 -2.707 59 HD11 ILE 8 3HD1 ILE 8 11.520 -8.293 -0.934 60 HD12 ILE 8 1HD1 ILE 8 11.753 -6.619 -0.427 61 HD13 ILE 8 2HD1 ILE 8 12.913 -7.856 0.055 62 H LYS 9 HN LYS 9 12.573 -7.817 -6.371 63 HA LYS 9 HA LYS 9 11.272 -5.646 -7.847 64 HB2 LYS 9 2HB LYS 9 12.349 -8.324 -8.751 65 HB3 LYS 9 1HB LYS 9 11.634 -7.113 -9.802 66 HG2 LYS 9 2HG LYS 9 13.422 -5.609 -9.453 67 HG3 LYS 9 1HG LYS 9 14.045 -6.557 -8.101 68 HD2 LYS 9 2HD LYS 9 15.416 -6.901 -10.068 69 HD3 LYS 9 1HD LYS 9 14.566 -8.389 -9.654 70 HE2 LYS 9 2HE LYS 9 12.914 -7.942 -11.387 71 HE3 LYS 9 1HE LYS 9 13.727 -6.428 -11.786 72 HZ1 LYS 9 3HZ LYS 9 14.349 -8.177 -13.321 73 HZ2 LYS 9 1HZ LYS 9 14.894 -9.149 -12.040 74 HZ3 LYS 9 2HZ LYS 9 15.696 -7.697 -12.408 75 H GLU 10 HN GLU 10 9.734 -7.166 -9.577 76 HA GLU 10 HA GLU 10 7.432 -7.810 -8.116 77 HB2 GLU 10 2HB GLU 10 8.363 -8.157 -10.907 78 HB3 GLU 10 1HB GLU 10 7.036 -9.170 -10.389 79 HG2 GLU 10 2HG GLU 10 7.056 -6.174 -10.162 80 HG3 GLU 10 1HG GLU 10 6.342 -7.070 -11.503 81 H GLY 11 HN GLY 11 6.386 -9.996 -8.159 82 HA2 GLY 11 2HA GLY 11 8.018 -12.323 -8.204 83 HA3 GLY 11 1HA GLY 11 7.822 -11.731 -6.560 84 H ASP 12 HN ASP 12 6.834 -13.907 -6.386 85 HA ASP 12 HA ASP 12 4.162 -14.138 -7.531 86 HB2 ASP 12 2HB ASP 12 5.616 -16.137 -5.789 87 HB3 ASP 12 1HB ASP 12 4.211 -16.434 -6.806 88 H GLU 13 HN GLU 13 5.804 -13.530 -4.570 89 HA GLU 13 HA GLU 13 3.213 -13.273 -3.190 90 HB2 GLU 13 2HB GLU 13 4.959 -13.485 -1.126 91 HB3 GLU 13 1HB GLU 13 4.059 -14.833 -1.796 92 HG2 GLU 13 2HG GLU 13 6.416 -15.366 -1.437 93 HG3 GLU 13 1HG GLU 13 5.953 -15.495 -3.131 94 H VAL 14 HN VAL 14 5.026 -11.397 -4.762 95 HA VAL 14 HA VAL 14 5.522 -9.375 -2.683 96 HB VAL 14 HB VAL 14 6.476 -9.322 -5.550 97 HG11 VAL 14 1HG1 VAL 14 6.373 -7.139 -4.497 98 HG12 VAL 14 2HG1 VAL 14 8.049 -7.634 -4.738 99 HG13 VAL 14 3HG1 VAL 14 7.321 -7.732 -3.134 100 HG21 VAL 14 3HG2 VAL 14 7.458 -11.249 -4.460 101 HG22 VAL 14 1HG2 VAL 14 7.962 -10.249 -3.099 102 HG23 VAL 14 2HG2 VAL 14 8.676 -9.994 -4.689 103 H ALA 15 HN ALA 15 4.130 -7.718 -2.524 104 HA ALA 15 HA ALA 15 2.724 -6.831 -4.954 105 HB1 ALA 15 1HB ALA 15 0.667 -6.505 -3.688 106 HB2 ALA 15 2HB ALA 15 1.442 -7.156 -2.244 107 HB3 ALA 15 3HB ALA 15 1.169 -8.195 -3.641 108 H ASP 16 HN ASP 16 3.003 -4.709 -5.306 109 HA ASP 16 HA ASP 16 3.846 -3.064 -3.036 110 HB2 ASP 16 2HB ASP 16 4.816 -1.521 -4.699 111 HB3 ASP 16 1HB ASP 16 5.538 -3.117 -4.754 112 H VAL 17 HN VAL 17 2.976 -1.125 -2.619 113 HA VAL 17 HA VAL 17 0.500 -0.439 -4.071 114 HB VAL 17 HB VAL 17 1.211 0.448 -1.280 115 HG11 VAL 17 1HG1 VAL 17 -0.408 1.840 -2.418 116 HG12 VAL 17 2HG1 VAL 17 -1.178 0.946 -1.106 117 HG13 VAL 17 3HG1 VAL 17 -1.397 0.424 -2.776 118 HG21 VAL 17 3HG2 VAL 17 -0.540 -1.883 -2.051 119 HG22 VAL 17 1HG2 VAL 17 -0.302 -1.262 -0.418 120 HG23 VAL 17 2HG2 VAL 17 1.047 -1.993 -1.287 121 H THR 18 HN THR 18 0.339 1.510 -4.930 122 HA THR 18 HA THR 18 2.673 3.281 -4.709 123 HB THR 18 HB THR 18 0.694 3.106 -6.985 124 HG1 THR 18 1HG THR 18 2.266 1.237 -6.418 125 HG21 THR 18 3HG2 THR 18 1.905 5.244 -6.814 126 HG22 THR 18 1HG2 THR 18 2.400 4.334 -8.241 127 HG23 THR 18 2HG2 THR 18 3.436 4.369 -6.815 128 H ILE 19 HN ILE 19 2.249 4.982 -3.450 129 HA ILE 19 HA ILE 19 -0.534 5.917 -3.234 130 HB ILE 19 HB ILE 19 1.676 6.553 -1.287 131 HG12 ILE 19 2HG1 ILE 19 -0.269 4.240 -1.091 132 HG13 ILE 19 1HG1 ILE 19 1.429 4.074 -1.523 133 HG21 ILE 19 1HG2 ILE 19 -1.331 6.517 -1.052 134 HG22 ILE 19 2HG2 ILE 19 -0.301 7.946 -1.144 135 HG23 ILE 19 3HG2 ILE 19 -0.212 6.884 0.261 136 HD11 ILE 19 3HD1 ILE 19 2.068 4.956 0.669 137 HD12 ILE 19 1HD1 ILE 19 1.064 3.513 0.805 138 HD13 ILE 19 2HD1 ILE 19 0.363 5.104 1.100 139 H PHE 20 HN PHE 20 -1.007 8.104 -3.405 140 HA PHE 20 HA PHE 20 1.166 9.879 -4.307 141 HD1 PHE 20 2HD PHE 20 -1.930 7.634 -5.974 142 HD2 PHE 20 1HD PHE 20 1.310 10.013 -7.366 143 HE1 PHE 20 2HE PHE 20 -1.474 5.976 -7.735 144 HE2 PHE 20 1HE PHE 20 1.768 8.362 -9.130 145 HZ PHE 20 HZ PHE 20 0.379 6.343 -9.317 146 HB2 PHE 20 2HB PHE 20 -1.689 9.948 -5.293 147 HB3 PHE 20 1HB PHE 20 -0.352 10.925 -5.866 148 H ALA 21 HN ALA 21 1.213 11.869 -3.389 149 HA ALA 21 HA ALA 21 -1.027 13.160 -2.215 150 HB1 ALA 21 1HB ALA 21 0.976 12.015 -0.269 151 HB2 ALA 21 2HB ALA 21 -0.698 11.494 -0.451 152 HB3 ALA 21 3HB ALA 21 -0.338 13.120 0.130 153 H GLU 22 HN GLU 22 -0.341 15.173 -1.022 154 HA GLU 22 HA GLU 22 1.453 16.678 -2.529 155 HB2 GLU 22 2HB GLU 22 0.203 17.079 0.172 156 HB3 GLU 22 1HB GLU 22 1.335 18.255 -0.477 157 HG2 GLU 22 2HG GLU 22 -0.984 18.894 -0.854 158 HG3 GLU 22 1HG GLU 22 -0.117 18.656 -2.368 159 H THR 23 HN THR 23 1.945 15.078 0.604 160 HA THR 23 HA THR 23 4.790 15.812 0.428 161 HB THR 23 HB THR 23 4.765 15.825 2.956 162 HG1 THR 23 1HG THR 23 2.758 15.978 3.973 163 HG21 THR 23 3HG2 THR 23 3.054 17.892 1.563 164 HG22 THR 23 1HG2 THR 23 4.816 17.902 1.658 165 HG23 THR 23 2HG2 THR 23 3.852 18.093 3.122 166 H LYS 24 HN LYS 24 6.271 14.390 1.423 167 HA LYS 24 HA LYS 24 5.776 11.621 1.117 168 HB2 LYS 24 2HB LYS 24 8.018 12.665 0.951 169 HB3 LYS 24 1HB LYS 24 7.961 13.040 2.663 170 HG2 LYS 24 2HG LYS 24 7.970 10.693 3.223 171 HG3 LYS 24 1HG LYS 24 7.902 10.257 1.515 172 HD2 LYS 24 2HD LYS 24 10.173 10.039 2.326 173 HD3 LYS 24 1HD LYS 24 10.077 11.368 1.173 174 HE2 LYS 24 2HE LYS 24 11.430 12.118 2.972 175 HE3 LYS 24 1HE LYS 24 9.871 12.925 3.136 176 HZ1 LYS 24 3HZ LYS 24 10.679 12.115 5.264 177 HZ2 LYS 24 1HZ LYS 24 10.749 10.529 4.669 178 HZ3 LYS 24 2HZ LYS 24 9.251 11.309 4.832 179 H ASP 25 HN ASP 25 5.796 13.834 3.820 180 HA ASP 25 HA ASP 25 5.536 12.138 5.989 181 HB2 ASP 25 2HB ASP 25 5.773 14.564 6.192 182 HB3 ASP 25 1HB ASP 25 4.168 14.797 5.513 183 H ALA 26 HN ALA 26 2.941 13.399 3.915 184 HA ALA 26 HA ALA 26 0.828 12.056 5.226 185 HB1 ALA 26 1HB ALA 26 0.973 12.973 2.356 186 HB2 ALA 26 2HB ALA 26 0.469 13.962 3.727 187 HB3 ALA 26 3HB ALA 26 -0.495 12.565 3.246 188 H LEU 27 HN LEU 27 2.791 11.226 2.398 189 HA LEU 27 HA LEU 27 1.630 8.791 1.722 190 HG LEU 27 HG LEU 27 3.019 11.115 0.243 191 HB2 LEU 27 2HB LEU 27 4.525 9.652 1.581 192 HB3 LEU 27 1HB LEU 27 3.857 8.265 0.757 193 HD11 LEU 27 1HD1 LEU 27 5.319 10.738 -0.453 194 HD12 LEU 27 2HD1 LEU 27 4.252 10.899 -1.849 195 HD13 LEU 27 3HD1 LEU 27 4.819 9.306 -1.354 196 HD21 LEU 27 3HD2 LEU 27 1.289 9.414 -0.192 197 HD22 LEU 27 1HD2 LEU 27 2.409 8.587 -1.275 198 HD23 LEU 27 2HD2 LEU 27 1.848 10.213 -1.661 199 H GLU 28 HN GLU 28 4.267 9.498 3.989 200 HA GLU 28 HA GLU 28 4.798 6.857 4.752 201 HB2 GLU 28 2HB GLU 28 5.247 9.504 6.115 202 HB3 GLU 28 1HB GLU 28 5.802 7.984 6.787 203 HG2 GLU 28 2HG GLU 28 7.189 7.586 4.853 204 HG3 GLU 28 1HG GLU 28 6.581 9.054 4.089 205 H SER 29 HN SER 29 2.523 9.248 6.004 206 HA SER 29 HA SER 29 1.788 7.881 8.340 207 HG SER 29 HG SER 29 1.967 10.820 7.285 208 HB2 SER 29 2HB SER 29 0.123 9.748 6.630 209 HB3 SER 29 1HB SER 29 -0.212 9.312 8.302 210 H GLU 30 HN GLU 30 0.432 7.799 5.069 211 HA GLU 30 HA GLU 30 -1.564 5.872 5.655 212 HB2 GLU 30 2HB GLU 30 -0.325 7.008 3.164 213 HB3 GLU 30 1HB GLU 30 -1.505 5.724 3.086 214 HG2 GLU 30 2HG GLU 30 -3.091 7.161 4.334 215 HG3 GLU 30 1HG GLU 30 -1.898 8.458 4.256 216 H LEU 31 HN LEU 31 1.673 5.752 4.217 217 HA LEU 31 HA LEU 31 1.736 3.061 3.502 218 HG LEU 31 HG LEU 31 4.417 2.178 3.891 219 HB2 LEU 31 2HB LEU 31 3.435 4.886 3.016 220 HB3 LEU 31 1HB LEU 31 4.089 4.571 4.603 221 HD11 LEU 31 1HD1 LEU 31 3.828 3.334 1.174 222 HD12 LEU 31 2HD1 LEU 31 2.856 2.142 2.037 223 HD13 LEU 31 3HD1 LEU 31 4.480 1.727 1.490 224 HD21 LEU 31 3HD2 LEU 31 6.278 3.713 4.003 225 HD22 LEU 31 1HD2 LEU 31 5.895 4.338 2.399 226 HD23 LEU 31 2HD2 LEU 31 6.449 2.674 2.588 227 H ALA 32 HN ALA 32 2.551 4.626 6.549 228 HA ALA 32 HA ALA 32 3.522 2.430 7.964 229 HB1 ALA 32 1HB ALA 32 2.948 3.657 9.987 230 HB2 ALA 32 2HB ALA 32 1.901 4.728 9.055 231 HB3 ALA 32 3HB ALA 32 3.644 4.738 8.781 232 H LYS 33 HN LYS 33 0.225 3.378 7.262 233 HA LYS 33 HA LYS 33 -0.949 1.463 9.022 234 HB2 LYS 33 2HB LYS 33 -1.970 3.318 6.908 235 HB3 LYS 33 1HB LYS 33 -3.022 2.089 7.580 236 HG2 LYS 33 2HG LYS 33 -1.582 4.213 9.153 237 HG3 LYS 33 1HG LYS 33 -3.294 4.229 8.722 238 HD2 LYS 33 2HD LYS 33 -3.763 2.371 10.105 239 HD3 LYS 33 1HD LYS 33 -2.054 1.986 10.296 240 HE2 LYS 33 2HE LYS 33 -1.737 4.073 11.551 241 HE3 LYS 33 1HE LYS 33 -3.457 4.422 11.386 242 HZ1 LYS 33 3HZ LYS 33 -2.446 1.943 12.664 243 HZ2 LYS 33 1HZ LYS 33 -4.015 2.587 12.734 244 HZ3 LYS 33 2HZ LYS 33 -2.738 3.364 13.540 245 H TYR 34 HN TYR 34 0.048 1.497 5.668 246 HA TYR 34 HA TYR 34 -1.155 -1.005 4.996 247 HD1 TYR 34 1HD TYR 34 -1.900 -1.200 2.469 248 HD2 TYR 34 2HD TYR 34 0.091 2.512 3.036 249 HE1 TYR 34 1HE TYR 34 -3.614 -0.081 1.109 250 HE2 TYR 34 2HE TYR 34 -1.621 3.645 1.683 251 HH TYR 34 HH TYR 34 -4.551 2.232 0.868 252 HB2 TYR 34 2HB TYR 34 1.116 0.554 3.761 253 HB3 TYR 34 1HB TYR 34 0.587 -1.001 3.132 254 H ILE 35 HN ILE 35 2.041 -0.012 6.156 255 HA ILE 35 HA ILE 35 3.226 -2.560 6.256 256 HB ILE 35 HB ILE 35 3.724 -0.217 8.111 257 HG12 ILE 35 2HG1 ILE 35 5.113 -0.989 5.532 258 HG13 ILE 35 1HG1 ILE 35 3.980 0.347 5.713 259 HG21 ILE 35 1HG2 ILE 35 5.445 -2.605 7.450 260 HG22 ILE 35 2HG2 ILE 35 4.626 -2.299 8.982 261 HG23 ILE 35 3HG2 ILE 35 5.930 -1.235 8.451 262 HD11 ILE 35 3HD1 ILE 35 5.515 1.422 7.282 263 HD12 ILE 35 1HD1 ILE 35 6.261 1.145 5.709 264 HD13 ILE 35 2HD1 ILE 35 6.655 0.093 7.069 265 H GLU 36 HN GLU 36 1.186 -0.814 8.514 266 HA GLU 36 HA GLU 36 1.275 -2.554 10.673 267 HB2 GLU 36 2HB GLU 36 0.397 -0.228 10.661 268 HB3 GLU 36 1HB GLU 36 -0.983 -0.786 9.727 269 HG2 GLU 36 2HG GLU 36 -1.611 -2.246 11.567 270 HG3 GLU 36 1HG GLU 36 -0.255 -1.627 12.505 271 H LEU 37 HN LEU 37 -0.959 -2.370 7.929 272 HA LEU 37 HA LEU 37 -2.535 -4.597 8.587 273 HG LEU 37 HG LEU 37 -4.570 -4.094 7.325 274 HB2 LEU 37 2HB LEU 37 -2.638 -2.679 6.693 275 HB3 LEU 37 1HB LEU 37 -2.012 -4.001 5.728 276 HD11 LEU 37 1HD1 LEU 37 -5.703 -3.951 5.175 277 HD12 LEU 37 2HD1 LEU 37 -4.149 -3.778 4.359 278 HD13 LEU 37 3HD1 LEU 37 -4.711 -2.522 5.462 279 HD21 LEU 37 3HD2 LEU 37 -3.524 -6.291 7.025 280 HD22 LEU 37 1HD2 LEU 37 -3.458 -6.017 5.285 281 HD23 LEU 37 2HD2 LEU 37 -5.017 -6.150 6.097 282 H ALA 38 HN ALA 38 0.514 -4.239 6.884 283 HA ALA 38 HA ALA 38 0.616 -6.830 5.748 284 HB1 ALA 38 1HB ALA 38 1.993 -5.000 4.923 285 HB2 ALA 38 2HB ALA 38 2.994 -6.376 5.392 286 HB3 ALA 38 3HB ALA 38 2.880 -4.967 6.447 287 H LYS 39 HN LYS 39 1.989 -5.483 8.725 288 HA LYS 39 HA LYS 39 3.216 -7.861 9.613 289 HB2 LYS 39 2HB LYS 39 2.286 -5.381 11.044 290 HB3 LYS 39 1HB LYS 39 3.092 -6.701 11.878 291 HG2 LYS 39 2HG LYS 39 5.077 -6.399 10.595 292 HG3 LYS 39 1HG LYS 39 4.273 -5.247 9.528 293 HD2 LYS 39 2HD LYS 39 4.087 -3.643 11.297 294 HD3 LYS 39 1HD LYS 39 4.664 -4.814 12.486 295 HE2 LYS 39 2HE LYS 39 6.310 -3.935 10.128 296 HE3 LYS 39 1HE LYS 39 6.342 -3.100 11.678 297 HZ1 LYS 39 3HZ LYS 39 7.189 -5.009 12.747 298 HZ2 LYS 39 1HZ LYS 39 8.116 -4.807 11.344 299 HZ3 LYS 39 2HZ LYS 39 6.912 -6.000 11.403 300 H SER 40 HN SER 40 -0.054 -6.753 9.703 301 HA SER 40 HA SER 40 -0.955 -8.501 11.777 302 HG SER 40 HG SER 40 -3.369 -8.146 12.101 303 HB2 SER 40 2HB SER 40 -2.163 -6.429 11.164 304 HB3 SER 40 1HB SER 40 -2.525 -7.115 9.582 305 H VAL 41 HN VAL 41 -0.494 -8.745 8.329 306 HA VAL 41 HA VAL 41 -1.887 -11.299 8.178 307 HB VAL 41 HB VAL 41 -0.385 -9.793 6.025 308 HG11 VAL 41 1HG1 VAL 41 -2.238 -12.165 5.824 309 HG12 VAL 41 2HG1 VAL 41 -0.493 -12.181 5.566 310 HG13 VAL 41 3HG1 VAL 41 -1.539 -11.288 4.462 311 HG21 VAL 41 3HG2 VAL 41 -2.331 -8.551 6.799 312 HG22 VAL 41 1HG2 VAL 41 -3.348 -9.973 6.570 313 HG23 VAL 41 2HG2 VAL 41 -2.603 -9.187 5.178 314 H CYS 42 HN CYS 42 1.385 -9.990 7.839 315 HA CYS 42 HA CYS 42 2.485 -12.606 8.488 316 HG CYS 42 HG CYS 42 4.155 -14.104 5.544 317 HB2 CYS 42 2HB CYS 42 2.259 -12.469 5.987 318 HB3 CYS 42 1HB CYS 42 3.364 -11.103 6.017 319 H ALA 43 HN ALA 43 3.624 -12.067 10.241 320 HA ALA 43 HA ALA 43 4.845 -9.563 10.698 321 HB1 ALA 43 1HB ALA 43 5.520 -12.228 11.942 322 HB2 ALA 43 2HB ALA 43 4.259 -11.126 12.495 323 HB3 ALA 43 3HB ALA 43 5.952 -10.640 12.577 324 H GLY 44 HN GLY 44 5.909 -12.432 9.049 325 HA2 GLY 44 2HA GLY 44 8.692 -11.576 8.973 326 HA3 GLY 44 1HA GLY 44 8.039 -13.063 8.301 327 H VAL 45 HN VAL 45 6.451 -10.079 7.585 328 HA VAL 45 HA VAL 45 6.889 -10.365 4.793 329 HB VAL 45 HB VAL 45 4.856 -9.313 5.725 330 HG11 VAL 45 1HG1 VAL 45 5.820 -8.088 7.579 331 HG12 VAL 45 2HG1 VAL 45 4.922 -6.992 6.527 332 HG13 VAL 45 3HG1 VAL 45 6.683 -7.032 6.461 333 HG21 VAL 45 3HG2 VAL 45 4.703 -7.443 4.142 334 HG22 VAL 45 1HG2 VAL 45 5.445 -8.868 3.416 335 HG23 VAL 45 2HG2 VAL 45 6.450 -7.507 3.913 336 H GLU 46 HN GLU 46 8.331 -9.381 3.463 337 HA GLU 46 HA GLU 46 10.239 -7.477 4.666 338 HB2 GLU 46 2HB GLU 46 10.642 -9.400 2.362 339 HB3 GLU 46 1HB GLU 46 11.803 -8.170 2.840 340 HG2 GLU 46 2HG GLU 46 12.029 -9.230 5.025 341 HG3 GLU 46 1HG GLU 46 10.864 -10.463 4.544 342 H TYR 47 HN TYR 47 10.457 -5.493 3.679 343 HA TYR 47 HA TYR 47 9.009 -5.082 1.183 344 HD1 TYR 47 1HD TYR 47 9.163 -1.612 3.727 345 HD2 TYR 47 2HD TYR 47 7.558 -5.342 5.009 346 HE1 TYR 47 1HE TYR 47 9.485 -0.941 6.071 347 HE2 TYR 47 2HE TYR 47 7.884 -4.681 7.355 348 HH TYR 47 HH TYR 47 9.141 -3.170 8.691 349 HB2 TYR 47 2HB TYR 47 7.899 -3.047 2.190 350 HB3 TYR 47 1HB TYR 47 7.283 -4.606 2.717 351 H ASN 48 HN ASN 48 9.593 -3.336 -0.012 352 HA ASN 48 HA ASN 48 11.777 -1.648 1.027 353 HB2 ASN 48 2HB ASN 48 11.403 -2.548 -1.836 354 HB3 ASN 48 1HB ASN 48 12.603 -1.396 -1.286 355 HD21 ASN 48 1HD2 ASN 48 13.200 -2.906 1.158 356 HD22 ASN 48 2HD2 ASN 48 14.144 -4.257 0.632 357 H VAL 49 HN VAL 49 11.900 0.429 -0.217 358 HA VAL 49 HA VAL 49 9.280 1.378 -1.137 359 HB VAL 49 HB VAL 49 10.933 2.932 0.874 360 HG11 VAL 49 1HG1 VAL 49 8.129 3.365 -0.154 361 HG12 VAL 49 2HG1 VAL 49 9.554 4.300 -0.605 362 HG13 VAL 49 3HG1 VAL 49 8.953 4.352 1.052 363 HG21 VAL 49 3HG2 VAL 49 8.432 1.319 1.370 364 HG22 VAL 49 1HG2 VAL 49 9.191 2.410 2.528 365 HG23 VAL 49 2HG2 VAL 49 10.046 0.966 1.985 366 H SER 50 HN SER 50 9.442 3.227 -2.521 367 HA SER 50 HA SER 50 11.752 3.445 -4.104 368 HG SER 50 HG SER 50 9.603 3.305 -5.555 369 HB2 SER 50 2HB SER 50 9.573 5.521 -3.785 370 HB3 SER 50 1HB SER 50 10.617 5.280 -5.186 371 H GLU 51 HN GLU 51 12.729 5.774 -4.476 372 HA GLU 51 HA GLU 51 14.198 6.367 -2.120 373 HB2 GLU 51 2HB GLU 51 15.154 8.248 -3.454 374 HB3 GLU 51 1HB GLU 51 15.292 6.676 -4.225 375 HG2 GLU 51 2HG GLU 51 12.953 8.371 -4.895 376 HG3 GLU 51 1HG GLU 51 14.529 8.813 -5.537 377 H LEU 52 HN LEU 52 13.637 7.551 -0.502 378 HA LEU 52 HA LEU 52 11.255 9.210 -0.708 379 HG LEU 52 HG LEU 52 11.498 6.431 0.616 380 HB2 LEU 52 2HB LEU 52 12.816 8.218 1.673 381 HB3 LEU 52 1HB LEU 52 11.382 9.213 1.777 382 HD11 LEU 52 1HD1 LEU 52 10.210 5.782 2.578 383 HD12 LEU 52 2HD1 LEU 52 10.298 7.432 3.194 384 HD13 LEU 52 3HD1 LEU 52 11.766 6.465 3.045 385 HD21 LEU 52 3HD2 LEU 52 9.817 7.811 -0.486 386 HD22 LEU 52 1HD2 LEU 52 9.150 8.267 1.081 387 HD23 LEU 52 2HD2 LEU 52 9.059 6.592 0.537 388 H THR 53 HN THR 53 11.429 11.297 -0.989 389 HA THR 53 HA THR 53 13.645 12.770 0.250 390 HB THR 53 HB THR 53 13.825 14.159 -1.850 391 HG1 THR 53 1HG THR 53 12.529 11.949 -3.091 392 HG21 THR 53 3HG2 THR 53 15.527 12.489 -1.327 393 HG22 THR 53 1HG2 THR 53 15.246 12.570 -3.066 394 HG23 THR 53 2HG2 THR 53 14.568 11.242 -2.124 395 H GLU 54 HN GLU 54 13.088 15.292 -0.508 396 HA GLU 54 HA GLU 54 10.542 15.863 0.669 397 HB2 GLU 54 2HB GLU 54 12.742 17.503 -0.535 398 HB3 GLU 54 1HB GLU 54 11.181 18.239 -0.233 399 HG2 GLU 54 2HG GLU 54 12.619 18.712 1.609 400 HG3 GLU 54 1HG GLU 54 11.376 17.587 2.144 401 H GLU 55 HN GLU 55 11.684 15.228 -2.506 402 HA GLU 55 HA GLU 55 9.353 16.543 -3.698 403 HB2 GLU 55 2HB GLU 55 12.056 15.850 -4.722 404 HB3 GLU 55 1HB GLU 55 10.718 15.887 -5.866 405 HG2 GLU 55 2HG GLU 55 11.648 18.135 -4.097 406 HG3 GLU 55 1HG GLU 55 11.804 18.020 -5.851 407 H SER 56 HN SER 56 9.789 13.649 -2.447 408 HA SER 56 HA SER 56 8.641 12.165 -4.656 409 HG SER 56 HG SER 56 8.918 11.865 -1.086 410 HB2 SER 56 2HB SER 56 8.481 10.348 -2.804 411 HB3 SER 56 1HB SER 56 10.061 10.773 -3.448 412 H LYS 57 HN LYS 57 6.671 12.974 -5.073 413 HA LYS 57 HA LYS 57 4.700 13.134 -2.912 414 HB2 LYS 57 2HB LYS 57 4.545 13.898 -5.842 415 HB3 LYS 57 1HB LYS 57 3.186 13.996 -4.733 416 HG2 LYS 57 2HG LYS 57 4.002 16.173 -4.834 417 HG3 LYS 57 1HG LYS 57 4.668 15.537 -3.333 418 HD2 LYS 57 2HD LYS 57 6.375 16.773 -4.510 419 HD3 LYS 57 1HD LYS 57 6.785 15.055 -4.520 420 HE2 LYS 57 2HE LYS 57 5.801 14.895 -6.797 421 HE3 LYS 57 1HE LYS 57 5.557 16.640 -6.774 422 HZ1 LYS 57 3HZ LYS 57 7.944 16.948 -6.556 423 HZ2 LYS 57 1HZ LYS 57 7.589 16.030 -7.938 424 HZ3 LYS 57 2HZ LYS 57 8.182 15.269 -6.547 425 H GLU 58 HN GLU 58 6.065 10.854 -4.617 426 HA GLU 58 HA GLU 58 3.739 9.105 -4.588 427 HB2 GLU 58 2HB GLU 58 3.801 9.891 -6.894 428 HB3 GLU 58 1HB GLU 58 5.520 9.551 -7.000 429 HG2 GLU 58 2HG GLU 58 4.800 7.110 -6.490 430 HG3 GLU 58 1HG GLU 58 3.211 7.664 -7.019 431 H LEU 59 HN LEU 59 4.302 7.049 -3.992 432 HA LEU 59 HA LEU 59 7.085 6.245 -4.202 433 HG LEU 59 HG LEU 59 5.326 4.686 -1.338 434 HB2 LEU 59 2HB LEU 59 7.467 5.749 -1.966 435 HB3 LEU 59 1HB LEU 59 6.696 7.314 -1.917 436 HD11 LEU 59 1HD1 LEU 59 5.303 5.473 0.981 437 HD12 LEU 59 2HD1 LEU 59 6.278 6.864 0.510 438 HD13 LEU 59 3HD1 LEU 59 6.941 5.235 0.376 439 HD21 LEU 59 3HD2 LEU 59 3.799 6.391 -2.228 440 HD22 LEU 59 1HD2 LEU 59 4.333 7.505 -0.969 441 HD23 LEU 59 2HD2 LEU 59 3.479 6.027 -0.530 442 H THR 60 HN THR 60 7.413 4.045 -4.211 443 HA THR 60 HA THR 60 4.958 2.419 -4.320 444 HB THR 60 HB THR 60 7.456 2.006 -5.979 445 HG1 THR 60 1HG THR 60 5.969 3.916 -6.406 446 HG21 THR 60 3HG2 THR 60 6.202 -0.046 -5.560 447 HG22 THR 60 1HG2 THR 60 6.043 0.446 -7.245 448 HG23 THR 60 2HG2 THR 60 4.721 0.733 -6.115 449 H ALA 61 HN ALA 61 4.958 1.282 -2.483 450 HA ALA 61 HA ALA 61 7.497 0.094 -1.578 451 HB1 ALA 61 1HB ALA 61 6.489 1.658 0.021 452 HB2 ALA 61 2HB ALA 61 6.531 0.013 0.654 453 HB3 ALA 61 3HB ALA 61 5.020 0.684 0.039 454 H ARG 62 HN ARG 62 7.689 -2.041 -1.743 455 HA ARG 62 HA ARG 62 5.231 -3.578 -2.197 456 HE ARG 62 HE ARG 62 7.037 -4.136 -5.773 457 HB2 ARG 62 2HB ARG 62 6.785 -5.254 -3.321 458 HB3 ARG 62 1HB ARG 62 6.419 -3.770 -4.181 459 HG2 ARG 62 2HG ARG 62 8.585 -2.849 -3.417 460 HG3 ARG 62 1HG ARG 62 8.953 -4.421 -2.699 461 HD2 ARG 62 2HD ARG 62 9.884 -4.017 -5.018 462 HD3 ARG 62 1HD ARG 62 8.942 -5.494 -4.807 463 HH11 ARG 62 1HH1 ARG 62 10.381 -3.574 -6.613 464 HH12 ARG 62 2HH1 ARG 62 10.002 -2.849 -8.143 465 HH21 ARG 62 1HH2 ARG 62 6.516 -3.215 -7.771 466 HH22 ARG 62 2HH2 ARG 62 7.785 -2.649 -8.816 467 H PHE 63 HN PHE 63 4.669 -5.065 -0.909 468 HA PHE 63 HA PHE 63 6.518 -5.939 1.195 469 HD1 PHE 63 1HD PHE 63 2.982 -3.973 0.416 470 HD2 PHE 63 2HD PHE 63 5.343 -4.861 3.843 471 HE1 PHE 63 1HE PHE 63 2.627 -1.688 1.247 472 HE2 PHE 63 2HE PHE 63 4.993 -2.576 4.682 473 HZ PHE 63 HZ PHE 63 3.634 -0.985 3.381 474 HB2 PHE 63 2HB PHE 63 3.506 -6.259 1.034 475 HB3 PHE 63 1HB PHE 63 4.523 -6.614 2.424 476 H LYS 64 HN LYS 64 7.460 -7.882 0.840 477 HA LYS 64 HA LYS 64 5.974 -9.828 -0.777 478 HB2 LYS 64 2HB LYS 64 8.005 -11.067 -1.043 479 HB3 LYS 64 1HB LYS 64 8.339 -9.386 -1.420 480 HG2 LYS 64 2HG LYS 64 9.574 -9.069 0.525 481 HG3 LYS 64 1HG LYS 64 8.902 -10.509 1.294 482 HD2 LYS 64 2HD LYS 64 10.264 -11.077 -1.217 483 HD3 LYS 64 1HD LYS 64 11.314 -10.351 -0.006 484 HE2 LYS 64 2HE LYS 64 11.296 -12.824 0.066 485 HE3 LYS 64 1HE LYS 64 10.785 -12.075 1.576 486 HZ1 LYS 64 3HZ LYS 64 9.415 -13.995 0.858 487 HZ2 LYS 64 1HZ LYS 64 8.890 -13.097 -0.482 488 HZ3 LYS 64 2HZ LYS 64 8.527 -12.581 1.094 489 H PHE 65 HN PHE 65 5.358 -11.748 0.016 490 HA PHE 65 HA PHE 65 5.417 -11.954 2.949 491 HD1 PHE 65 1HD PHE 65 2.899 -11.261 4.214 492 HD2 PHE 65 2HD PHE 65 2.778 -10.854 -0.019 493 HE1 PHE 65 1HE PHE 65 1.741 -9.104 4.460 494 HE2 PHE 65 2HE PHE 65 1.620 -8.699 0.217 495 HZ PHE 65 HZ PHE 65 1.100 -7.822 2.459 496 HB2 PHE 65 2HB PHE 65 3.342 -12.946 0.982 497 HB3 PHE 65 1HB PHE 65 3.276 -13.172 2.727 498 H GLU 66 HN GLU 66 4.567 -14.487 3.334 499 HA GLU 66 HA GLU 66 6.945 -15.953 2.582 500 HB2 GLU 66 2HB GLU 66 4.608 -16.634 4.368 501 HB3 GLU 66 1HB GLU 66 6.012 -17.659 4.136 502 HG2 GLU 66 2HG GLU 66 6.099 -14.861 5.226 503 HG3 GLU 66 1HG GLU 66 6.115 -16.326 6.203 504 H VAL 67 HN VAL 67 3.474 -16.057 2.036 505 HA VAL 67 HA VAL 67 3.994 -17.884 -0.207 506 HB VAL 67 HB VAL 67 1.850 -19.019 0.176 507 HG11 VAL 67 1HG1 VAL 67 3.889 -20.000 1.072 508 HG12 VAL 67 2HG1 VAL 67 2.514 -20.337 2.124 509 HG13 VAL 67 3HG1 VAL 67 3.681 -19.093 2.569 510 HG21 VAL 67 3HG2 VAL 67 0.656 -18.746 2.300 511 HG22 VAL 67 1HG2 VAL 67 0.660 -17.253 1.360 512 HG23 VAL 67 2HG2 VAL 67 1.746 -17.430 2.740 513 H SER 68 HN SER 68 2.407 -17.758 -1.930 514 HA SER 68 HA SER 68 1.853 -15.082 -2.617 515 HG SER 68 HG SER 68 2.853 -16.088 -5.036 516 HB2 SER 68 2HB SER 68 0.890 -17.660 -3.867 517 HB3 SER 68 1HB SER 68 0.773 -16.068 -4.615 518 H ALA 69 HN ALA 69 0.066 -17.419 -0.901 519 HA ALA 69 HA ALA 69 -2.559 -16.485 -1.356 520 HB1 ALA 69 1HB ALA 69 -1.438 -17.878 1.075 521 HB2 ALA 69 2HB ALA 69 -2.109 -18.667 -0.353 522 HB3 ALA 69 3HB ALA 69 -3.147 -17.692 0.689 523 H GLU 70 HN GLU 70 -0.052 -15.577 0.957 524 HA GLU 70 HA GLU 70 -1.636 -13.858 2.541 525 HB2 GLU 70 2HB GLU 70 1.344 -13.914 2.045 526 HB3 GLU 70 1HB GLU 70 0.569 -12.958 3.296 527 HG2 GLU 70 2HG GLU 70 -0.266 -14.987 4.345 528 HG3 GLU 70 1HG GLU 70 0.485 -15.955 3.079 529 H LYS 71 HN LYS 71 0.225 -13.400 -0.395 530 HA LYS 71 HA LYS 71 0.117 -10.611 -0.630 531 HB2 LYS 71 2HB LYS 71 1.355 -12.233 -2.136 532 HB3 LYS 71 1HB LYS 71 -0.177 -12.580 -2.904 533 HG2 LYS 71 2HG LYS 71 -0.398 -10.250 -3.574 534 HG3 LYS 71 1HG LYS 71 1.139 -9.874 -2.792 535 HD2 LYS 71 2HD LYS 71 1.478 -10.130 -5.168 536 HD3 LYS 71 1HD LYS 71 2.264 -11.457 -4.312 537 HE2 LYS 71 2HE LYS 71 1.173 -12.399 -6.195 538 HE3 LYS 71 1HE LYS 71 0.222 -12.836 -4.778 539 HZ1 LYS 71 3HZ LYS 71 -0.405 -10.656 -6.702 540 HZ2 LYS 71 1HZ LYS 71 -1.313 -11.018 -5.314 541 HZ3 LYS 71 2HZ LYS 71 -1.202 -12.147 -6.577 542 H LEU 72 HN LEU 72 -1.985 -13.068 -2.002 543 HA LEU 72 HA LEU 72 -3.958 -11.456 -3.082 544 HG LEU 72 HG LEU 72 -2.647 -14.184 -3.721 545 HB2 LEU 72 2HB LEU 72 -4.250 -14.190 -1.843 546 HB3 LEU 72 1HB LEU 72 -5.445 -13.426 -2.872 547 HD11 LEU 72 1HD1 LEU 72 -3.732 -15.911 -5.044 548 HD12 LEU 72 2HD1 LEU 72 -5.302 -15.438 -4.396 549 HD13 LEU 72 3HD1 LEU 72 -4.079 -16.126 -3.328 550 HD21 LEU 72 3HD2 LEU 72 -3.404 -13.617 -5.967 551 HD22 LEU 72 1HD2 LEU 72 -3.505 -12.219 -4.898 552 HD23 LEU 72 2HD2 LEU 72 -4.966 -13.111 -5.324 553 H ILE 73 HN ILE 73 -3.804 -12.818 0.201 554 HA ILE 73 HA ILE 73 -6.242 -11.815 1.145 555 HB ILE 73 HB ILE 73 -3.676 -12.317 2.666 556 HG12 ILE 73 2HG1 ILE 73 -6.168 -14.009 2.371 557 HG13 ILE 73 1HG1 ILE 73 -4.666 -14.275 1.494 558 HG21 ILE 73 1HG2 ILE 73 -5.129 -10.803 3.912 559 HG22 ILE 73 2HG2 ILE 73 -5.062 -12.389 4.679 560 HG23 ILE 73 3HG2 ILE 73 -6.474 -11.927 3.727 561 HD11 ILE 73 3HD1 ILE 73 -5.060 -14.467 4.471 562 HD12 ILE 73 1HD1 ILE 73 -3.520 -14.667 3.636 563 HD13 ILE 73 2HD1 ILE 73 -4.834 -15.805 3.344 564 H PHE 74 HN PHE 74 -2.999 -10.359 1.183 565 HA PHE 74 HA PHE 74 -3.726 -7.991 2.526 566 HD1 PHE 74 1HD PHE 74 -1.677 -6.918 3.914 567 HD2 PHE 74 2HD PHE 74 -0.995 -6.218 -0.228 568 HE1 PHE 74 1HE PHE 74 -0.911 -4.639 4.433 569 HE2 PHE 74 2HE PHE 74 -0.229 -3.935 0.282 570 HZ PHE 74 HZ PHE 74 -0.189 -3.142 2.615 571 HB2 PHE 74 2HB PHE 74 -1.389 -8.785 2.214 572 HB3 PHE 74 1HB PHE 74 -1.505 -8.374 0.508 573 H GLU 75 HN GLU 75 -3.588 -8.820 -0.911 574 HA GLU 75 HA GLU 75 -4.317 -6.290 -1.913 575 HB2 GLU 75 2HB GLU 75 -4.658 -9.057 -3.080 576 HB3 GLU 75 1HB GLU 75 -5.008 -7.577 -3.963 577 HG2 GLU 75 2HG GLU 75 -2.697 -6.877 -3.769 578 HG3 GLU 75 1HG GLU 75 -2.325 -8.304 -2.804 579 H LEU 76 HN LEU 76 -6.251 -9.098 -0.938 580 HA LEU 76 HA LEU 76 -8.748 -8.099 -1.714 581 HG LEU 76 HG LEU 76 -7.686 -10.821 -2.050 582 HB2 LEU 76 2HB LEU 76 -7.829 -10.114 0.307 583 HB3 LEU 76 1HB LEU 76 -9.515 -9.747 0.087 584 HD11 LEU 76 1HD1 LEU 76 -8.935 -12.894 -1.810 585 HD12 LEU 76 2HD1 LEU 76 -9.876 -12.189 -0.495 586 HD13 LEU 76 3HD1 LEU 76 -8.145 -12.457 -0.295 587 HD21 LEU 76 3HD2 LEU 76 -9.722 -11.121 -3.356 588 HD22 LEU 76 1HD2 LEU 76 -9.470 -9.422 -2.957 589 HD23 LEU 76 2HD2 LEU 76 -10.668 -10.368 -2.071 590 H LYS 77 HN LYS 77 -6.991 -7.907 1.375 591 HA LYS 77 HA LYS 77 -9.077 -6.568 2.750 592 HB2 LYS 77 2HB LYS 77 -6.129 -6.817 3.317 593 HB3 LYS 77 1HB LYS 77 -7.237 -5.966 4.386 594 HG2 LYS 77 2HG LYS 77 -8.560 -8.053 4.591 595 HG3 LYS 77 1HG LYS 77 -7.327 -8.880 3.639 596 HD2 LYS 77 2HD LYS 77 -5.654 -8.384 5.316 597 HD3 LYS 77 1HD LYS 77 -6.826 -7.448 6.244 598 HE2 LYS 77 2HE LYS 77 -6.985 -10.404 5.659 599 HE3 LYS 77 1HE LYS 77 -6.507 -9.678 7.193 600 HZ1 LYS 77 3HZ LYS 77 -8.718 -8.687 7.354 601 HZ2 LYS 77 1HZ LYS 77 -8.811 -10.377 7.248 602 HZ3 LYS 77 2HZ LYS 77 -9.170 -9.422 5.894 603 H THR 78 HN THR 78 -6.256 -5.397 0.956 604 HA THR 78 HA THR 78 -6.520 -2.701 1.748 605 HB THR 78 HB THR 78 -5.201 -2.232 -0.402 606 HG1 THR 78 1HG THR 78 -4.697 -5.015 -0.373 607 HG21 THR 78 3HG2 THR 78 -3.131 -3.126 0.584 608 HG22 THR 78 1HG2 THR 78 -4.093 -4.113 1.684 609 HG23 THR 78 2HG2 THR 78 -4.159 -2.354 1.792 610 H ARG 79 HN ARG 79 -8.245 -4.596 -0.577 611 HA ARG 79 HA ARG 79 -9.214 -2.585 -2.236 612 HE ARG 79 HE ARG 79 -7.952 -5.180 -5.371 613 HB2 ARG 79 2HB ARG 79 -10.288 -5.244 -1.362 614 HB3 ARG 79 1HB ARG 79 -11.194 -4.204 -2.442 615 HG2 ARG 79 2HG ARG 79 -8.397 -5.163 -2.966 616 HG3 ARG 79 1HG ARG 79 -9.855 -5.915 -3.612 617 HD2 ARG 79 2HD ARG 79 -10.405 -3.973 -4.867 618 HD3 ARG 79 1HD ARG 79 -9.183 -3.013 -4.037 619 HH11 ARG 79 1HH1 ARG 79 -9.565 -2.134 -6.018 620 HH12 ARG 79 2HH1 ARG 79 -8.681 -1.839 -7.485 621 HH21 ARG 79 1HH2 ARG 79 -6.762 -4.755 -7.294 622 HH22 ARG 79 2HH2 ARG 79 -7.096 -3.310 -8.201 623 H SER 80 HN SER 80 -10.473 -3.806 0.856 624 HA SER 80 HA SER 80 -12.661 -1.962 0.850 625 HG SER 80 HG SER 80 -13.384 -4.096 0.895 626 HB2 SER 80 2HB SER 80 -11.572 -3.773 3.012 627 HB3 SER 80 1HB SER 80 -13.107 -2.918 3.072 628 H LEU 81 HN LEU 81 -9.395 -1.744 1.654 629 HA LEU 81 HA LEU 81 -9.794 0.270 3.706 630 HG LEU 81 HG LEU 81 -6.697 1.025 2.857 631 HB2 LEU 81 2HB LEU 81 -8.101 -1.182 4.323 632 HB3 LEU 81 1HB LEU 81 -7.493 -1.330 2.686 633 HD11 LEU 81 1HD1 LEU 81 -8.097 1.790 4.689 634 HD12 LEU 81 2HD1 LEU 81 -6.393 1.968 5.107 635 HD13 LEU 81 3HD1 LEU 81 -7.329 0.635 5.782 636 HD21 LEU 81 3HD2 LEU 81 -4.713 0.450 4.197 637 HD22 LEU 81 1HD2 LEU 81 -5.166 -0.835 3.076 638 HD23 LEU 81 2HD2 LEU 81 -5.552 -0.983 4.790 639 H ALA 82 HN ALA 82 -8.615 -0.077 0.415 640 HA ALA 82 HA ALA 82 -7.687 2.681 0.370 641 HB1 ALA 82 1HB ALA 82 -6.263 0.883 -0.535 642 HB2 ALA 82 2HB ALA 82 -6.625 2.141 -1.715 643 HB3 ALA 82 3HB ALA 82 -7.471 0.595 -1.789 644 H ARG 83 HN ARG 83 -10.601 1.676 0.216 645 HA ARG 83 HA ARG 83 -11.384 3.152 -2.167 646 HE ARG 83 HE ARG 83 -13.881 -1.133 -0.819 647 HB2 ARG 83 2HB ARG 83 -12.876 1.424 -0.215 648 HB3 ARG 83 1HB ARG 83 -13.724 2.521 -1.285 649 HG2 ARG 83 2HG ARG 83 -12.521 1.397 -3.198 650 HG3 ARG 83 1HG ARG 83 -12.008 0.179 -2.029 651 HD2 ARG 83 2HD ARG 83 -14.852 0.907 -2.715 652 HD3 ARG 83 1HD ARG 83 -13.995 -0.546 -3.230 653 HH11 ARG 83 1HH1 ARG 83 -16.356 1.020 -2.023 654 HH12 ARG 83 2HH1 ARG 83 -17.468 0.681 -0.730 655 HH21 ARG 83 1HH2 ARG 83 -15.323 -1.600 0.874 656 HH22 ARG 83 2HH2 ARG 83 -16.862 -0.796 0.954 657 H LEU 84 HN LEU 84 -13.591 4.491 -1.475 658 HA LEU 84 HA LEU 84 -14.116 6.588 -0.849 659 HG LEU 84 HG LEU 84 -14.595 4.099 1.140 660 HB2 LEU 84 2HB LEU 84 -12.909 5.792 1.786 661 HB3 LEU 84 1HB LEU 84 -14.087 7.044 1.493 662 HD11 LEU 84 1HD1 LEU 84 -15.468 5.996 3.314 663 HD12 LEU 84 2HD1 LEU 84 -14.305 4.682 3.481 664 HD13 LEU 84 3HD1 LEU 84 -15.996 4.323 3.136 665 HD21 LEU 84 3HD2 LEU 84 -15.925 5.510 -0.360 666 HD22 LEU 84 1HD2 LEU 84 -16.489 6.444 1.025 667 HD23 LEU 84 2HD2 LEU 84 -16.925 4.741 0.873 668 H GLU 85 HN GLU 85 -12.566 7.438 -2.278 669 HA GLU 85 HA GLU 85 -9.878 7.814 -1.817 670 HB2 GLU 85 2HB GLU 85 -11.519 9.901 -3.210 671 HB3 GLU 85 1HB GLU 85 -9.856 9.456 -3.513 672 HG2 GLU 85 2HG GLU 85 -10.869 8.469 -5.299 673 HG3 GLU 85 1HG GLU 85 -10.897 7.139 -4.145 674 H HIS 86 HN HIS 86 -8.649 9.317 -0.841 675 HA HIS 86 HA HIS 86 -10.106 10.908 1.155 676 HD1 HIS 86 1HD HIS 86 -8.430 6.951 1.299 677 HD2 HIS 86 2HD HIS 86 -5.662 10.039 1.402 678 HE1 HIS 86 1HE HIS 86 -6.247 5.919 0.602 679 HE2 HIS 86 2HE HIS 86 -4.540 7.739 0.973 680 HB2 HIS 86 2HB HIS 86 -8.191 10.324 2.725 681 HB3 HIS 86 1HB HIS 86 -9.335 9.042 2.352 682 H HIS 87 HN HIS 87 -8.259 11.263 -1.439 683 HA HIS 87 HA HIS 87 -6.663 13.457 -0.405 684 HD1 HIS 87 1HD HIS 87 -6.445 14.509 -4.789 685 HD2 HIS 87 2HD HIS 87 -4.288 14.474 -1.232 686 HE1 HIS 87 1HE HIS 87 -4.811 16.413 -4.963 687 HE2 HIS 87 2HE HIS 87 -3.412 16.277 -2.868 688 HB2 HIS 87 2HB HIS 87 -5.843 12.066 -2.322 689 HB3 HIS 87 1HB HIS 87 -7.176 12.685 -3.293 690 H HIS 88 HN HIS 88 -7.951 14.994 0.364 691 HA HIS 88 HA HIS 88 -9.925 16.222 -1.425 692 HD1 HIS 88 1HD HIS 88 -13.248 16.435 1.423 693 HD2 HIS 88 2HD HIS 88 -12.040 15.255 -2.378 694 HE1 HIS 88 1HE HIS 88 -15.262 16.721 -0.046 695 HE2 HIS 88 2HE HIS 88 -14.571 15.804 -2.288 696 HB2 HIS 88 2HB HIS 88 -10.752 14.361 0.394 697 HB3 HIS 88 1HB HIS 88 -10.850 15.827 1.361 698 H HIS 89 HN HIS 89 -7.283 16.748 -0.131 699 HA HIS 89 HA HIS 89 -6.113 18.544 0.538 700 HD1 HIS 89 1HD HIS 89 -7.951 22.554 1.413 701 HD2 HIS 89 2HD HIS 89 -4.826 20.366 -0.240 702 HE1 HIS 89 1HE HIS 89 -5.946 24.065 1.495 703 HE2 HIS 89 2HE HIS 89 -4.025 22.627 0.719 704 HB2 HIS 89 2HB HIS 89 -7.943 19.869 -0.689 705 HB3 HIS 89 1HB HIS 89 -8.599 20.191 0.916 706 H HIS 90 HN HIS 90 -8.922 17.631 2.424 707 HA HIS 90 HA HIS 90 -7.787 18.397 4.932 708 HD1 HIS 90 1HD HIS 90 -11.981 17.110 3.684 709 HD2 HIS 90 2HD HIS 90 -9.806 19.732 6.073 710 HE1 HIS 90 1HE HIS 90 -13.440 19.142 3.969 711 HE2 HIS 90 2HE HIS 90 -12.165 20.653 5.533 712 HB2 HIS 90 2HB HIS 90 -9.767 16.203 4.246 713 HB3 HIS 90 1HB HIS 90 -9.327 16.660 5.888 714 H HIS 91 HN HIS 91 -7.306 15.973 2.620 715 HA HIS 91 HA HIS 91 -4.791 15.264 3.742 716 HD1 HIS 91 1HD HIS 91 -3.831 12.797 2.283 717 HD2 HIS 91 2HD HIS 91 -4.916 11.937 6.206 718 HE1 HIS 91 1HE HIS 91 -1.992 11.338 3.193 719 HE2 HIS 91 2HE HIS 91 -2.532 11.105 5.640 720 HB2 HIS 91 2HB HIS 91 -6.505 13.662 4.846 721 HB3 HIS 91 1HB HIS 91 -6.671 12.955 3.240 Start of MODEL 2 1 HA ALA 1 HA ALA 1 11.863 -9.198 -13.731 2 H1 ALA 1 1HT ALA 1 9.701 -8.350 -12.984 3 H2 ALA 1 2HT ALA 1 9.700 -10.016 -13.265 4 H3 ALA 1 3HT ALA 1 8.985 -8.972 -14.394 5 HB1 ALA 1 2HB ALA 1 10.370 -9.743 -16.296 6 HB2 ALA 1 3HB ALA 1 10.970 -10.968 -15.177 7 HB3 ALA 1 1HB ALA 1 12.104 -9.926 -16.037 8 H GLY 2 HN GLY 2 10.327 -6.779 -13.366 9 HA2 GLY 2 2HA GLY 2 11.551 -5.114 -15.492 10 HA3 GLY 2 1HA GLY 2 10.118 -4.649 -14.575 11 H GLU 3 HN GLU 3 13.587 -5.170 -14.401 12 HA GLU 3 HA GLU 3 13.760 -4.694 -11.629 13 HB2 GLU 3 2HB GLU 3 15.699 -5.092 -13.858 14 HB3 GLU 3 1HB GLU 3 16.249 -4.586 -12.279 15 HG2 GLU 3 2HG GLU 3 15.296 -6.538 -11.252 16 HG3 GLU 3 1HG GLU 3 14.592 -7.027 -12.791 17 H ILE 4 HN ILE 4 12.949 -2.761 -11.136 18 HA ILE 4 HA ILE 4 14.230 -0.317 -12.033 19 HB ILE 4 HB ILE 4 12.389 -0.620 -9.649 20 HG12 ILE 4 2HG1 ILE 4 11.575 -0.155 -12.529 21 HG13 ILE 4 1HG1 ILE 4 11.329 -1.652 -11.638 22 HG21 ILE 4 1HG2 ILE 4 13.049 1.688 -11.475 23 HG22 ILE 4 2HG2 ILE 4 13.449 1.527 -9.764 24 HG23 ILE 4 3HG2 ILE 4 11.770 1.721 -10.261 25 HD11 ILE 4 3HD1 ILE 4 9.289 -0.335 -11.756 26 HD12 ILE 4 1HD1 ILE 4 10.103 1.015 -10.964 27 HD13 ILE 4 2HD1 ILE 4 9.845 -0.496 -10.091 28 H GLY 5 HN GLY 5 15.153 1.112 -10.146 29 HA2 GLY 5 2HA GLY 5 17.356 -0.261 -9.013 30 HA3 GLY 5 1HA GLY 5 16.907 1.402 -8.707 31 H PHE 6 HN PHE 6 15.357 -1.680 -8.020 32 HA PHE 6 HA PHE 6 15.481 -1.098 -5.135 33 HD1 PHE 6 2HD PHE 6 13.573 0.218 -4.158 34 HD2 PHE 6 1HD PHE 6 11.958 -1.174 -7.838 35 HE1 PHE 6 2HE PHE 6 12.311 2.315 -4.393 36 HE2 PHE 6 1HE PHE 6 10.691 0.921 -8.081 37 HZ PHE 6 HZ PHE 6 10.865 2.671 -6.359 38 HB2 PHE 6 2HB PHE 6 13.282 -2.567 -6.615 39 HB3 PHE 6 1HB PHE 6 13.365 -2.329 -4.879 40 H ILE 7 HN ILE 7 15.338 -3.170 -3.828 41 HA ILE 7 HA ILE 7 17.222 -5.079 -4.870 42 HB ILE 7 HB ILE 7 15.657 -5.180 -2.287 43 HG12 ILE 7 2HG1 ILE 7 17.016 -3.125 -2.486 44 HG13 ILE 7 1HG1 ILE 7 17.626 -4.199 -1.236 45 HG21 ILE 7 1HG2 ILE 7 17.496 -6.666 -1.542 46 HG22 ILE 7 2HG2 ILE 7 18.134 -6.646 -3.186 47 HG23 ILE 7 3HG2 ILE 7 16.546 -7.343 -2.865 48 HD11 ILE 7 3HD1 ILE 7 19.385 -4.963 -2.737 49 HD12 ILE 7 1HD1 ILE 7 19.433 -3.212 -2.528 50 HD13 ILE 7 2HD1 ILE 7 18.763 -3.907 -4.005 51 H ILE 8 HN ILE 8 13.896 -5.369 -3.612 52 HA ILE 8 HA ILE 8 13.616 -8.025 -4.695 53 HB ILE 8 HB ILE 8 11.600 -6.224 -3.336 54 HG12 ILE 8 2HG1 ILE 8 13.185 -8.579 -2.294 55 HG13 ILE 8 1HG1 ILE 8 13.517 -6.886 -1.929 56 HG21 ILE 8 1HG2 ILE 8 11.418 -9.165 -3.981 57 HG22 ILE 8 2HG2 ILE 8 10.480 -7.877 -4.741 58 HG23 ILE 8 3HG2 ILE 8 10.252 -8.245 -3.030 59 HD11 ILE 8 3HD1 ILE 8 11.033 -8.410 -1.173 60 HD12 ILE 8 1HD1 ILE 8 11.346 -6.710 -0.820 61 HD13 ILE 8 2HD1 ILE 8 12.356 -7.961 -0.098 62 H LYS 9 HN LYS 9 12.531 -8.668 -6.467 63 HA LYS 9 HA LYS 9 11.445 -6.573 -8.223 64 HB2 LYS 9 2HB LYS 9 11.688 -8.517 -9.951 65 HB3 LYS 9 1HB LYS 9 13.093 -7.577 -9.477 66 HG2 LYS 9 2HG LYS 9 13.729 -9.341 -7.900 67 HG3 LYS 9 1HG LYS 9 12.324 -10.282 -8.404 68 HD2 LYS 9 2HD LYS 9 13.186 -10.557 -10.597 69 HD3 LYS 9 1HD LYS 9 14.454 -9.360 -10.321 70 HE2 LYS 9 2HE LYS 9 15.510 -10.819 -8.696 71 HE3 LYS 9 1HE LYS 9 14.214 -11.998 -8.880 72 HZ1 LYS 9 3HZ LYS 9 16.335 -12.437 -10.148 73 HZ2 LYS 9 1HZ LYS 9 15.907 -11.143 -11.157 74 HZ3 LYS 9 2HZ LYS 9 14.898 -12.504 -11.051 75 H GLU 10 HN GLU 10 9.929 -8.113 -9.927 76 HA GLU 10 HA GLU 10 7.521 -8.223 -8.465 77 HB2 GLU 10 2HB GLU 10 8.197 -9.155 -11.254 78 HB3 GLU 10 1HB GLU 10 6.579 -9.086 -10.600 79 HG2 GLU 10 2HG GLU 10 6.866 -7.171 -11.946 80 HG3 GLU 10 1HG GLU 10 6.892 -6.635 -10.267 81 H GLY 11 HN GLY 11 6.039 -10.096 -8.477 82 HA2 GLY 11 2HA GLY 11 6.784 -12.740 -8.858 83 HA3 GLY 11 1HA GLY 11 7.208 -12.323 -7.202 84 H ASP 12 HN ASP 12 5.419 -14.258 -7.445 85 HA ASP 12 HA ASP 12 2.717 -13.298 -7.583 86 HB2 ASP 12 2HB ASP 12 3.964 -15.944 -6.939 87 HB3 ASP 12 1HB ASP 12 2.261 -15.670 -6.596 88 H GLU 13 HN GLU 13 5.060 -13.816 -5.101 89 HA GLU 13 HA GLU 13 3.041 -13.359 -3.019 90 HB2 GLU 13 2HB GLU 13 4.780 -13.983 -1.413 91 HB3 GLU 13 1HB GLU 13 4.581 -15.229 -2.635 92 HG2 GLU 13 2HG GLU 13 6.700 -13.139 -2.913 93 HG3 GLU 13 1HG GLU 13 6.954 -14.555 -1.899 94 H VAL 14 HN VAL 14 4.719 -11.503 -4.999 95 HA VAL 14 HA VAL 14 5.484 -9.523 -2.965 96 HB VAL 14 HB VAL 14 6.276 -9.592 -5.883 97 HG11 VAL 14 1HG1 VAL 14 6.272 -7.350 -4.900 98 HG12 VAL 14 2HG1 VAL 14 7.910 -7.895 -5.259 99 HG13 VAL 14 3HG1 VAL 14 7.317 -7.919 -3.599 100 HG21 VAL 14 3HG2 VAL 14 7.242 -11.488 -4.689 101 HG22 VAL 14 1HG2 VAL 14 7.870 -10.400 -3.451 102 HG23 VAL 14 2HG2 VAL 14 8.486 -10.307 -5.101 103 H ALA 15 HN ALA 15 4.097 -7.926 -2.654 104 HA ALA 15 HA ALA 15 2.416 -7.069 -4.920 105 HB1 ALA 15 1HB ALA 15 1.117 -7.956 -3.028 106 HB2 ALA 15 2HB ALA 15 0.798 -6.242 -3.294 107 HB3 ALA 15 3HB ALA 15 1.847 -6.748 -1.969 108 H ASP 16 HN ASP 16 3.519 -5.415 -5.837 109 HA ASP 16 HA ASP 16 4.562 -3.331 -4.086 110 HB2 ASP 16 2HB ASP 16 5.518 -2.334 -6.137 111 HB3 ASP 16 1HB ASP 16 6.100 -3.952 -5.813 112 H VAL 17 HN VAL 17 3.621 -1.525 -3.762 113 HA VAL 17 HA VAL 17 1.407 -0.689 -5.517 114 HB VAL 17 HB VAL 17 1.335 -0.414 -2.518 115 HG11 VAL 17 1HG1 VAL 17 0.017 1.219 -3.744 116 HG12 VAL 17 2HG1 VAL 17 -1.023 0.107 -2.853 117 HG13 VAL 17 3HG1 VAL 17 -0.816 -0.083 -4.595 118 HG21 VAL 17 3HG2 VAL 17 -0.332 -2.219 -2.480 119 HG22 VAL 17 1HG2 VAL 17 1.246 -2.790 -3.021 120 HG23 VAL 17 2HG2 VAL 17 -0.040 -2.507 -4.194 121 H THR 18 HN THR 18 1.492 1.348 -6.053 122 HA THR 18 HA THR 18 3.452 3.087 -4.762 123 HB THR 18 HB THR 18 1.873 3.510 -7.310 124 HG1 THR 18 1HG THR 18 4.649 2.919 -7.084 125 HG21 THR 18 3HG2 THR 18 2.594 5.610 -6.242 126 HG22 THR 18 1HG2 THR 18 3.469 5.317 -7.746 127 HG23 THR 18 2HG2 THR 18 4.253 5.012 -6.195 128 H ILE 19 HN ILE 19 2.691 4.306 -3.164 129 HA ILE 19 HA ILE 19 -0.201 4.735 -3.001 130 HB ILE 19 HB ILE 19 1.825 5.412 -0.877 131 HG12 ILE 19 2HG1 ILE 19 0.303 2.808 -1.167 132 HG13 ILE 19 1HG1 ILE 19 2.023 3.006 -1.485 133 HG21 ILE 19 1HG2 ILE 19 -0.387 6.421 -0.642 134 HG22 ILE 19 2HG2 ILE 19 -0.080 5.242 0.633 135 HG23 ILE 19 3HG2 ILE 19 -1.126 4.820 -0.723 136 HD11 ILE 19 3HD1 ILE 19 2.392 3.590 0.855 137 HD12 ILE 19 1HD1 ILE 19 1.630 2.008 0.698 138 HD13 ILE 19 2HD1 ILE 19 0.668 3.407 1.175 139 H PHE 20 HN PHE 20 -1.094 6.698 -3.061 140 HA PHE 20 HA PHE 20 0.691 8.973 -3.581 141 HD1 PHE 20 2HD PHE 20 0.909 9.255 -6.501 142 HD2 PHE 20 1HD PHE 20 -2.255 6.566 -5.569 143 HE1 PHE 20 2HE PHE 20 1.546 7.847 -8.415 144 HE2 PHE 20 1HE PHE 20 -1.625 5.155 -7.481 145 HZ PHE 20 HZ PHE 20 0.277 5.792 -8.908 146 HB2 PHE 20 2HB PHE 20 -2.152 8.715 -4.542 147 HB3 PHE 20 1HB PHE 20 -0.961 9.903 -5.032 148 H ALA 21 HN ALA 21 0.585 10.563 -2.212 149 HA ALA 21 HA ALA 21 -1.904 11.055 -0.733 150 HB1 ALA 21 1HB ALA 21 0.859 11.080 0.473 151 HB2 ALA 21 2HB ALA 21 -0.401 9.888 0.788 152 HB3 ALA 21 3HB ALA 21 -0.627 11.563 1.293 153 H GLU 22 HN GLU 22 -1.528 13.304 0.490 154 HA GLU 22 HA GLU 22 -1.166 15.193 -1.624 155 HB2 GLU 22 2HB GLU 22 -1.561 15.661 1.334 156 HB3 GLU 22 1HB GLU 22 -1.717 16.874 0.070 157 HG2 GLU 22 2HG GLU 22 -3.448 14.437 0.432 158 HG3 GLU 22 1HG GLU 22 -3.891 16.106 0.784 159 H THR 23 HN THR 23 0.669 14.277 1.254 160 HA THR 23 HA THR 23 2.962 15.780 0.206 161 HB THR 23 HB THR 23 3.523 16.506 2.543 162 HG1 THR 23 1HG THR 23 1.044 16.519 3.550 163 HG21 THR 23 3HG2 THR 23 0.929 17.574 1.425 164 HG22 THR 23 1HG2 THR 23 2.547 18.073 0.934 165 HG23 THR 23 2HG2 THR 23 1.979 18.404 2.571 166 H LYS 24 HN LYS 24 4.981 15.243 1.449 167 HA LYS 24 HA LYS 24 5.573 12.527 1.473 168 HB2 LYS 24 2HB LYS 24 7.199 14.425 1.345 169 HB3 LYS 24 1HB LYS 24 6.931 14.724 3.052 170 HG2 LYS 24 2HG LYS 24 7.654 11.982 2.667 171 HG3 LYS 24 1HG LYS 24 8.829 13.030 1.872 172 HD2 LYS 24 2HD LYS 24 9.675 12.872 4.028 173 HD3 LYS 24 1HD LYS 24 8.756 14.376 4.088 174 HE2 LYS 24 2HE LYS 24 6.813 12.942 4.919 175 HE3 LYS 24 1HE LYS 24 8.012 11.681 5.178 176 HZ1 LYS 24 3HZ LYS 24 7.693 14.252 6.567 177 HZ2 LYS 24 1HZ LYS 24 9.231 13.527 6.494 178 HZ3 LYS 24 2HZ LYS 24 7.933 12.699 7.205 179 H ASP 25 HN ASP 25 4.644 14.684 4.108 180 HA ASP 25 HA ASP 25 4.935 12.856 6.230 181 HB2 ASP 25 2HB ASP 25 3.578 15.460 5.795 182 HB3 ASP 25 1HB ASP 25 3.034 14.502 7.162 183 H ALA 26 HN ALA 26 2.083 13.777 4.307 184 HA ALA 26 HA ALA 26 0.277 12.033 5.586 185 HB1 ALA 26 1HB ALA 26 0.203 13.045 2.743 186 HB2 ALA 26 2HB ALA 26 -0.441 13.887 4.152 187 HB3 ALA 26 3HB ALA 26 -1.151 12.357 3.637 188 H LEU 27 HN LEU 27 2.504 11.611 2.904 189 HA LEU 27 HA LEU 27 1.764 9.098 2.002 190 HG LEU 27 HG LEU 27 3.798 8.028 0.678 191 HB2 LEU 27 2HB LEU 27 3.612 10.936 1.354 192 HB3 LEU 27 1HB LEU 27 4.638 9.802 2.203 193 HD11 LEU 27 1HD1 LEU 27 2.761 8.689 -1.417 194 HD12 LEU 27 2HD1 LEU 27 2.668 10.355 -0.844 195 HD13 LEU 27 3HD1 LEU 27 1.740 9.091 -0.036 196 HD21 LEU 27 3HD2 LEU 27 5.224 10.361 -0.580 197 HD22 LEU 27 1HD2 LEU 27 5.223 8.709 -1.197 198 HD23 LEU 27 2HD2 LEU 27 5.973 9.068 0.359 199 H GLU 28 HN GLU 28 4.090 10.038 4.518 200 HA GLU 28 HA GLU 28 4.843 7.493 5.356 201 HB2 GLU 28 2HB GLU 28 4.784 10.187 6.639 202 HB3 GLU 28 1HB GLU 28 5.161 8.788 7.619 203 HG2 GLU 28 2HG GLU 28 6.927 8.256 5.851 204 HG3 GLU 28 1HG GLU 28 6.670 9.911 5.297 205 H SER 29 HN SER 29 2.136 9.518 6.377 206 HA SER 29 HA SER 29 1.242 7.964 8.521 207 HG SER 29 HG SER 29 -1.815 9.795 8.388 208 HB2 SER 29 2HB SER 29 0.459 10.279 7.955 209 HB3 SER 29 1HB SER 29 -0.468 9.595 6.624 210 H GLU 30 HN GLU 30 0.169 7.977 5.135 211 HA GLU 30 HA GLU 30 -1.598 5.823 5.332 212 HB2 GLU 30 2HB GLU 30 -0.069 7.003 3.014 213 HB3 GLU 30 1HB GLU 30 -1.305 5.789 2.840 214 HG2 GLU 30 2HG GLU 30 -1.639 8.579 3.872 215 HG3 GLU 30 1HG GLU 30 -2.295 7.897 2.385 216 H LEU 31 HN LEU 31 1.834 5.991 4.488 217 HA LEU 31 HA LEU 31 2.206 3.339 3.679 218 HG LEU 31 HG LEU 31 4.899 2.674 4.640 219 HB2 LEU 31 2HB LEU 31 3.839 5.256 3.494 220 HB3 LEU 31 1HB LEU 31 4.207 5.016 5.186 221 HD11 LEU 31 1HD1 LEU 31 4.626 3.648 1.806 222 HD12 LEU 31 2HD1 LEU 31 3.674 2.381 2.577 223 HD13 LEU 31 3HD1 LEU 31 5.401 2.144 2.304 224 HD21 LEU 31 3HD2 LEU 31 6.382 4.910 3.265 225 HD22 LEU 31 1HD2 LEU 31 7.058 3.331 3.666 226 HD23 LEU 31 2HD2 LEU 31 6.546 4.423 4.952 227 H ALA 32 HN ALA 32 2.586 4.845 6.856 228 HA ALA 32 HA ALA 32 3.429 2.628 8.310 229 HB1 ALA 32 1HB ALA 32 1.670 4.885 9.265 230 HB2 ALA 32 2HB ALA 32 3.433 4.893 9.211 231 HB3 ALA 32 3HB ALA 32 2.588 3.785 10.292 232 H LYS 33 HN LYS 33 0.164 3.621 7.441 233 HA LYS 33 HA LYS 33 -1.246 1.726 8.967 234 HB2 LYS 33 2HB LYS 33 -1.983 3.064 6.359 235 HB3 LYS 33 1HB LYS 33 -3.096 2.227 7.420 236 HG2 LYS 33 2HG LYS 33 -2.794 3.857 9.142 237 HG3 LYS 33 1HG LYS 33 -1.509 4.645 8.223 238 HD2 LYS 33 2HD LYS 33 -3.125 5.176 6.453 239 HD3 LYS 33 1HD LYS 33 -4.401 4.418 7.408 240 HE2 LYS 33 2HE LYS 33 -4.041 6.054 9.186 241 HE3 LYS 33 1HE LYS 33 -2.761 6.810 8.236 242 HZ1 LYS 33 3HZ LYS 33 -4.383 7.325 6.522 243 HZ2 LYS 33 1HZ LYS 33 -4.843 8.004 8.007 244 HZ3 LYS 33 2HZ LYS 33 -5.614 6.602 7.441 245 H TYR 34 HN TYR 34 0.029 1.654 5.675 246 HA TYR 34 HA TYR 34 -1.076 -0.895 5.051 247 HD1 TYR 34 1HD TYR 34 -1.417 2.108 4.242 248 HD2 TYR 34 2HD TYR 34 -0.643 -0.871 1.302 249 HE1 TYR 34 1HE TYR 34 -3.316 2.929 2.920 250 HE2 TYR 34 2HE TYR 34 -2.545 -0.056 -0.028 251 HH TYR 34 HH TYR 34 -4.188 2.901 0.739 252 HB2 TYR 34 2HB TYR 34 1.001 0.846 3.757 253 HB3 TYR 34 1HB TYR 34 0.705 -0.788 3.170 254 H ILE 35 HN ILE 35 2.013 0.196 6.367 255 HA ILE 35 HA ILE 35 3.302 -2.318 6.360 256 HB ILE 35 HB ILE 35 3.649 -0.030 8.310 257 HG12 ILE 35 2HG1 ILE 35 5.228 -0.740 5.828 258 HG13 ILE 35 1HG1 ILE 35 4.054 0.568 5.940 259 HG21 ILE 35 1HG2 ILE 35 4.533 -2.103 9.219 260 HG22 ILE 35 2HG2 ILE 35 5.842 -1.007 8.780 261 HG23 ILE 35 3HG2 ILE 35 5.455 -2.376 7.739 262 HD11 ILE 35 3HD1 ILE 35 6.336 1.392 6.112 263 HD12 ILE 35 1HD1 ILE 35 6.611 0.360 7.517 264 HD13 ILE 35 2HD1 ILE 35 5.442 1.678 7.605 265 H GLU 36 HN GLU 36 1.194 -0.728 8.711 266 HA GLU 36 HA GLU 36 1.260 -2.757 10.668 267 HB2 GLU 36 2HB GLU 36 -0.171 -0.299 10.179 268 HB3 GLU 36 1HB GLU 36 -1.269 -1.529 10.780 269 HG2 GLU 36 2HG GLU 36 1.305 -0.709 12.109 270 HG3 GLU 36 1HG GLU 36 -0.298 -0.131 12.558 271 H LEU 37 HN LEU 37 -0.914 -2.146 7.957 272 HA LEU 37 HA LEU 37 -2.637 -4.312 8.302 273 HG LEU 37 HG LEU 37 -4.504 -3.785 6.917 274 HB2 LEU 37 2HB LEU 37 -2.538 -2.248 6.620 275 HB3 LEU 37 1HB LEU 37 -1.835 -3.457 5.562 276 HD11 LEU 37 1HD1 LEU 37 -5.516 -3.177 4.791 277 HD12 LEU 37 2HD1 LEU 37 -3.922 -2.845 4.113 278 HD13 LEU 37 3HD1 LEU 37 -4.549 -1.846 5.425 279 HD21 LEU 37 3HD2 LEU 37 -3.428 -5.866 6.218 280 HD22 LEU 37 1HD2 LEU 37 -3.249 -5.223 4.585 281 HD23 LEU 37 2HD2 LEU 37 -4.858 -5.518 5.245 282 H ALA 38 HN ALA 38 0.514 -4.042 6.767 283 HA ALA 38 HA ALA 38 0.537 -6.558 5.496 284 HB1 ALA 38 1HB ALA 38 2.077 -4.742 4.906 285 HB2 ALA 38 2HB ALA 38 2.933 -6.238 5.277 286 HB3 ALA 38 3HB ALA 38 2.888 -4.933 6.463 287 H LYS 39 HN LYS 39 1.745 -5.494 8.654 288 HA LYS 39 HA LYS 39 2.819 -7.995 9.411 289 HB2 LYS 39 2HB LYS 39 1.925 -5.634 11.054 290 HB3 LYS 39 1HB LYS 39 2.780 -7.021 11.709 291 HG2 LYS 39 2HG LYS 39 4.690 -6.550 10.301 292 HG3 LYS 39 1HG LYS 39 3.833 -5.196 9.561 293 HD2 LYS 39 2HD LYS 39 3.712 -4.097 11.752 294 HD3 LYS 39 1HD LYS 39 4.599 -5.446 12.465 295 HE2 LYS 39 2HE LYS 39 5.649 -3.718 10.234 296 HE3 LYS 39 1HE LYS 39 6.004 -3.465 11.938 297 HZ1 LYS 39 3HZ LYS 39 6.614 -5.993 10.509 298 HZ2 LYS 39 1HZ LYS 39 7.132 -5.524 12.053 299 HZ3 LYS 39 2HZ LYS 39 7.726 -4.723 10.684 300 H SER 40 HN SER 40 -0.378 -6.738 9.388 301 HA SER 40 HA SER 40 -1.468 -8.575 11.298 302 HG SER 40 HG SER 40 -3.806 -8.819 10.721 303 HB2 SER 40 2HB SER 40 -2.577 -6.434 10.877 304 HB3 SER 40 1HB SER 40 -2.823 -6.872 9.186 305 H VAL 41 HN VAL 41 -0.581 -8.710 7.995 306 HA VAL 41 HA VAL 41 -2.191 -11.132 7.559 307 HB VAL 41 HB VAL 41 -0.641 -9.490 5.539 308 HG11 VAL 41 1HG1 VAL 41 -2.523 -11.813 5.152 309 HG12 VAL 41 2HG1 VAL 41 -0.781 -11.817 4.878 310 HG13 VAL 41 3HG1 VAL 41 -1.830 -10.831 3.861 311 HG21 VAL 41 3HG2 VAL 41 -3.609 -9.642 6.064 312 HG22 VAL 41 1HG2 VAL 41 -2.848 -8.778 4.728 313 HG23 VAL 41 2HG2 VAL 41 -2.559 -8.263 6.391 314 H CYS 42 HN CYS 42 1.109 -9.874 7.239 315 HA CYS 42 HA CYS 42 2.114 -12.630 7.310 316 HG CYS 42 HG CYS 42 4.558 -13.264 6.271 317 HB2 CYS 42 2HB CYS 42 2.099 -11.869 4.981 318 HB3 CYS 42 1HB CYS 42 2.995 -10.426 5.436 319 H ALA 43 HN ALA 43 3.482 -12.866 8.915 320 HA ALA 43 HA ALA 43 4.502 -10.603 10.358 321 HB1 ALA 43 1HB ALA 43 5.461 -12.257 11.871 322 HB2 ALA 43 2HB ALA 43 5.060 -13.541 10.731 323 HB3 ALA 43 3HB ALA 43 3.772 -12.631 11.520 324 H GLY 44 HN GLY 44 5.824 -13.052 8.198 325 HA2 GLY 44 2HA GLY 44 8.526 -11.983 8.558 326 HA3 GLY 44 1HA GLY 44 8.102 -13.468 7.721 327 H VAL 45 HN VAL 45 6.567 -10.368 7.197 328 HA VAL 45 HA VAL 45 6.994 -10.540 4.393 329 HB VAL 45 HB VAL 45 4.969 -9.512 5.238 330 HG11 VAL 45 1HG1 VAL 45 6.737 -7.351 6.382 331 HG12 VAL 45 2HG1 VAL 45 5.842 -8.558 7.306 332 HG13 VAL 45 3HG1 VAL 45 4.972 -7.347 6.365 333 HG21 VAL 45 3HG2 VAL 45 6.727 -7.519 3.810 334 HG22 VAL 45 1HG2 VAL 45 4.967 -7.440 3.914 335 HG23 VAL 45 2HG2 VAL 45 5.741 -8.776 3.063 336 H GLU 46 HN GLU 46 8.640 -9.865 3.240 337 HA GLU 46 HA GLU 46 10.478 -7.879 4.401 338 HB2 GLU 46 2HB GLU 46 12.151 -8.778 2.765 339 HB3 GLU 46 1HB GLU 46 11.639 -9.946 3.974 340 HG2 GLU 46 2HG GLU 46 10.028 -10.845 2.276 341 HG3 GLU 46 1HG GLU 46 10.809 -9.803 1.089 342 H TYR 47 HN TYR 47 10.678 -5.937 3.372 343 HA TYR 47 HA TYR 47 9.339 -5.678 0.785 344 HD1 TYR 47 2HD TYR 47 9.325 -2.060 3.056 345 HD2 TYR 47 1HD TYR 47 7.879 -5.728 4.659 346 HE1 TYR 47 2HE TYR 47 9.629 -1.182 5.333 347 HE2 TYR 47 1HE TYR 47 8.177 -4.855 6.935 348 HH TYR 47 HH TYR 47 8.804 -1.563 7.589 349 HB2 TYR 47 2HB TYR 47 8.113 -3.667 1.655 350 HB3 TYR 47 1HB TYR 47 7.576 -5.206 2.315 351 H ASN 48 HN ASN 48 9.853 -3.875 -0.408 352 HA ASN 48 HA ASN 48 11.943 -2.095 0.669 353 HB2 ASN 48 2HB ASN 48 11.638 -2.952 -2.217 354 HB3 ASN 48 1HB ASN 48 12.809 -1.795 -1.614 355 HD21 ASN 48 1HD2 ASN 48 13.369 -3.372 0.802 356 HD22 ASN 48 2HD2 ASN 48 14.326 -4.715 0.267 357 H VAL 49 HN VAL 49 11.932 0.017 -0.558 358 HA VAL 49 HA VAL 49 9.474 0.832 -1.772 359 HB VAL 49 HB VAL 49 8.748 0.780 0.565 360 HG11 VAL 49 1HG1 VAL 49 9.734 2.248 2.246 361 HG12 VAL 49 2HG1 VAL 49 10.966 2.750 1.088 362 HG13 VAL 49 3HG1 VAL 49 10.909 1.079 1.643 363 HG21 VAL 49 3HG2 VAL 49 7.821 2.493 -0.912 364 HG22 VAL 49 1HG2 VAL 49 9.107 3.601 -0.439 365 HG23 VAL 49 2HG2 VAL 49 7.918 3.071 0.752 366 H SER 50 HN SER 50 9.692 2.791 -2.845 367 HA SER 50 HA SER 50 12.245 3.845 -3.334 368 HG SER 50 HG SER 50 10.015 3.433 -5.323 369 HB2 SER 50 2HB SER 50 9.961 5.693 -3.649 370 HB3 SER 50 1HB SER 50 11.175 5.194 -4.825 371 H GLU 51 HN GLU 51 13.138 5.900 -2.685 372 HA GLU 51 HA GLU 51 12.550 6.468 0.089 373 HB2 GLU 51 2HB GLU 51 14.424 8.115 -0.106 374 HB3 GLU 51 1HB GLU 51 14.867 6.450 -0.447 375 HG2 GLU 51 2HG GLU 51 14.153 8.327 -2.658 376 HG3 GLU 51 1HG GLU 51 15.761 8.325 -1.944 377 H LEU 52 HN LEU 52 11.315 8.012 0.804 378 HA LEU 52 HA LEU 52 10.020 9.704 -1.158 379 HG LEU 52 HG LEU 52 9.715 9.957 2.573 380 HB2 LEU 52 2HB LEU 52 8.281 10.062 0.450 381 HB3 LEU 52 1HB LEU 52 8.580 8.353 0.290 382 HD11 LEU 52 1HD1 LEU 52 7.307 10.280 2.571 383 HD12 LEU 52 2HD1 LEU 52 7.791 9.216 3.892 384 HD13 LEU 52 3HD1 LEU 52 7.060 8.538 2.438 385 HD21 LEU 52 3HD2 LEU 52 9.482 7.661 3.669 386 HD22 LEU 52 1HD2 LEU 52 10.761 7.855 2.471 387 HD23 LEU 52 2HD2 LEU 52 9.264 7.035 2.034 388 H THR 53 HN THR 53 10.704 11.646 -1.461 389 HA THR 53 HA THR 53 12.184 13.013 0.685 390 HB THR 53 HB THR 53 12.280 14.032 -2.108 391 HG1 THR 53 1HG THR 53 12.950 11.437 -1.374 392 HG21 THR 53 3HG2 THR 53 14.377 13.497 0.007 393 HG22 THR 53 1HG2 THR 53 13.640 15.056 -0.349 394 HG23 THR 53 2HG2 THR 53 14.675 14.278 -1.545 395 H GLU 54 HN GLU 54 11.996 15.607 -0.124 396 HA GLU 54 HA GLU 54 9.555 16.407 0.926 397 HB2 GLU 54 2HB GLU 54 11.244 18.124 -0.876 398 HB3 GLU 54 1HB GLU 54 10.254 18.614 0.483 399 HG2 GLU 54 2HG GLU 54 12.834 17.089 0.589 400 HG3 GLU 54 1HG GLU 54 12.568 18.758 1.082 401 H GLU 55 HN GLU 55 10.582 15.994 -2.401 402 HA GLU 55 HA GLU 55 8.134 17.151 -3.464 403 HB2 GLU 55 2HB GLU 55 10.534 15.922 -4.825 404 HB3 GLU 55 1HB GLU 55 9.190 16.685 -5.662 405 HG2 GLU 55 2HG GLU 55 9.762 18.808 -4.898 406 HG3 GLU 55 1HG GLU 55 10.787 18.170 -3.613 407 H SER 56 HN SER 56 8.747 14.217 -2.156 408 HA SER 56 HA SER 56 7.539 12.638 -4.275 409 HG SER 56 HG SER 56 9.920 11.731 -3.960 410 HB2 SER 56 2HB SER 56 8.415 11.709 -1.544 411 HB3 SER 56 1HB SER 56 8.127 10.727 -2.970 412 H LYS 57 HN LYS 57 5.396 13.062 -4.387 413 HA LYS 57 HA LYS 57 3.822 12.754 -1.935 414 HB2 LYS 57 2HB LYS 57 1.908 13.458 -3.572 415 HB3 LYS 57 1HB LYS 57 3.004 14.666 -2.927 416 HG2 LYS 57 2HG LYS 57 2.710 15.158 -5.214 417 HG3 LYS 57 1HG LYS 57 4.323 14.468 -5.052 418 HD2 LYS 57 2HD LYS 57 3.552 12.347 -5.900 419 HD3 LYS 57 1HD LYS 57 1.882 12.922 -5.921 420 HE2 LYS 57 2HE LYS 57 2.442 14.576 -7.603 421 HE3 LYS 57 1HE LYS 57 4.138 14.098 -7.541 422 HZ1 LYS 57 3HZ LYS 57 2.904 13.150 -9.433 423 HZ2 LYS 57 1HZ LYS 57 1.920 12.294 -8.350 424 HZ3 LYS 57 2HZ LYS 57 3.583 11.961 -8.423 425 H GLU 58 HN GLU 58 5.190 10.821 -3.963 426 HA GLU 58 HA GLU 58 3.187 8.756 -3.545 427 HB2 GLU 58 2HB GLU 58 3.205 7.937 -5.779 428 HB3 GLU 58 1HB GLU 58 2.867 9.656 -5.888 429 HG2 GLU 58 2HG GLU 58 5.659 8.630 -6.192 430 HG3 GLU 58 1HG GLU 58 4.528 8.577 -7.541 431 H LEU 59 HN LEU 59 4.119 6.633 -3.526 432 HA LEU 59 HA LEU 59 6.940 6.352 -4.051 433 HG LEU 59 HG LEU 59 5.891 4.357 -1.047 434 HB2 LEU 59 2HB LEU 59 7.688 5.748 -1.924 435 HB3 LEU 59 1HB LEU 59 6.740 7.190 -1.661 436 HD11 LEU 59 1HD1 LEU 59 5.932 5.159 1.280 437 HD12 LEU 59 2HD1 LEU 59 6.595 6.693 0.719 438 HD13 LEU 59 3HD1 LEU 59 7.519 5.204 0.513 439 HD21 LEU 59 3HD2 LEU 59 3.952 5.639 -1.741 440 HD22 LEU 59 1HD2 LEU 59 4.390 6.942 -0.635 441 HD23 LEU 59 2HD2 LEU 59 3.912 5.368 0.001 442 H THR 60 HN THR 60 7.595 4.205 -4.268 443 HA THR 60 HA THR 60 5.330 2.362 -4.583 444 HB THR 60 HB THR 60 8.050 2.253 -5.901 445 HG1 THR 60 1HG THR 60 6.765 3.976 -6.701 446 HG21 THR 60 3HG2 THR 60 5.555 0.631 -6.434 447 HG22 THR 60 1HG2 THR 60 6.990 0.042 -5.594 448 HG23 THR 60 2HG2 THR 60 7.090 0.500 -7.294 449 H ALA 61 HN ALA 61 5.125 1.041 -2.925 450 HA ALA 61 HA ALA 61 7.560 -0.092 -1.710 451 HB1 ALA 61 1HB ALA 61 4.836 0.295 -0.468 452 HB2 ALA 61 2HB ALA 61 6.266 1.275 -0.151 453 HB3 ALA 61 3HB ALA 61 6.239 -0.423 0.324 454 H ARG 62 HN ARG 62 7.866 -2.213 -1.991 455 HA ARG 62 HA ARG 62 5.506 -3.820 -2.680 456 HE ARG 62 HE ARG 62 7.415 -4.708 -6.003 457 HB2 ARG 62 2HB ARG 62 7.218 -5.416 -3.751 458 HB3 ARG 62 1HB ARG 62 6.732 -3.975 -4.622 459 HG2 ARG 62 2HG ARG 62 8.791 -2.876 -4.040 460 HG3 ARG 62 1HG ARG 62 9.271 -4.246 -3.031 461 HD2 ARG 62 2HD ARG 62 10.190 -4.069 -5.458 462 HD3 ARG 62 1HD ARG 62 9.635 -5.631 -4.854 463 HH11 ARG 62 1HH1 ARG 62 10.704 -4.793 -7.199 464 HH12 ARG 62 2HH1 ARG 62 10.215 -4.924 -8.864 465 HH21 ARG 62 1HH2 ARG 62 6.781 -4.950 -8.188 466 HH22 ARG 62 2HH2 ARG 62 8.013 -5.031 -9.424 467 H PHE 63 HN PHE 63 4.908 -5.161 -1.246 468 HA PHE 63 HA PHE 63 6.782 -6.042 0.821 469 HD1 PHE 63 1HD PHE 63 3.115 -4.264 -0.059 470 HD2 PHE 63 2HD PHE 63 5.598 -4.742 3.365 471 HE1 PHE 63 1HE PHE 63 2.643 -1.944 0.600 472 HE2 PHE 63 2HE PHE 63 5.129 -2.418 4.031 473 HZ PHE 63 HZ PHE 63 3.650 -1.016 2.647 474 HB2 PHE 63 2HB PHE 63 3.789 -6.456 0.700 475 HB3 PHE 63 1HB PHE 63 4.834 -6.658 2.100 476 H LYS 64 HN LYS 64 7.756 -7.971 0.484 477 HA LYS 64 HA LYS 64 6.379 -9.977 -1.126 478 HB2 LYS 64 2HB LYS 64 8.792 -9.688 -1.521 479 HB3 LYS 64 1HB LYS 64 9.115 -10.102 0.161 480 HG2 LYS 64 2HG LYS 64 7.960 -12.295 -0.278 481 HG3 LYS 64 1HG LYS 64 7.990 -11.871 -1.987 482 HD2 LYS 64 2HD LYS 64 10.408 -11.789 -1.955 483 HD3 LYS 64 1HD LYS 64 10.420 -12.092 -0.215 484 HE2 LYS 64 2HE LYS 64 9.392 -13.958 -2.351 485 HE3 LYS 64 1HE LYS 64 10.899 -14.138 -1.452 486 HZ1 LYS 64 3HZ LYS 64 8.202 -14.122 -0.199 487 HZ2 LYS 64 1HZ LYS 64 9.673 -14.465 0.568 488 HZ3 LYS 64 2HZ LYS 64 9.054 -15.526 -0.602 489 H PHE 65 HN PHE 65 5.011 -11.258 -0.178 490 HA PHE 65 HA PHE 65 5.137 -11.662 2.699 491 HD1 PHE 65 2HD PHE 65 2.601 -10.528 3.685 492 HD2 PHE 65 1HD PHE 65 2.793 -10.586 -0.560 493 HE1 PHE 65 2HE PHE 65 1.661 -8.259 3.618 494 HE2 PHE 65 1HE PHE 65 1.855 -8.314 -0.638 495 HZ PHE 65 HZ PHE 65 1.288 -7.148 1.451 496 HB2 PHE 65 2HB PHE 65 3.071 -12.605 0.699 497 HB3 PHE 65 1HB PHE 65 2.912 -12.615 2.454 498 H GLU 66 HN GLU 66 4.343 -14.042 3.279 499 HA GLU 66 HA GLU 66 6.445 -15.794 2.847 500 HB2 GLU 66 2HB GLU 66 3.661 -16.810 3.338 501 HB3 GLU 66 1HB GLU 66 5.179 -17.413 3.970 502 HG2 GLU 66 2HG GLU 66 3.876 -14.834 4.794 503 HG3 GLU 66 1HG GLU 66 3.751 -16.354 5.663 504 H VAL 67 HN VAL 67 3.184 -15.945 1.466 505 HA VAL 67 HA VAL 67 4.238 -17.124 -0.989 506 HB VAL 67 HB VAL 67 2.363 -18.805 -0.982 507 HG11 VAL 67 1HG1 VAL 67 4.642 -19.482 -0.505 508 HG12 VAL 67 2HG1 VAL 67 3.510 -20.396 0.491 509 HG13 VAL 67 3HG1 VAL 67 4.431 -19.067 1.196 510 HG21 VAL 67 3HG2 VAL 67 1.395 -19.420 1.199 511 HG22 VAL 67 1HG2 VAL 67 0.938 -17.791 0.700 512 HG23 VAL 67 2HG2 VAL 67 2.184 -18.021 1.927 513 H SER 68 HN SER 68 1.972 -17.582 -2.376 514 HA SER 68 HA SER 68 1.148 -14.976 -3.067 515 HG SER 68 HG SER 68 2.284 -16.418 -4.531 516 HB2 SER 68 2HB SER 68 -0.086 -17.617 -3.866 517 HB3 SER 68 1HB SER 68 -0.289 -16.081 -4.702 518 H ALA 69 HN ALA 69 -0.203 -17.447 -1.067 519 HA ALA 69 HA ALA 69 -2.847 -16.597 -0.839 520 HB1 ALA 69 1HB ALA 69 -2.894 -17.811 1.274 521 HB2 ALA 69 2HB ALA 69 -1.132 -17.867 1.294 522 HB3 ALA 69 3HB ALA 69 -2.027 -18.728 0.042 523 H GLU 70 HN GLU 70 -0.045 -15.714 1.159 524 HA GLU 70 HA GLU 70 -1.366 -13.932 2.875 525 HB2 GLU 70 2HB GLU 70 1.508 -13.729 1.968 526 HB3 GLU 70 1HB GLU 70 0.826 -13.148 3.477 527 HG2 GLU 70 2HG GLU 70 0.893 -16.054 2.741 528 HG3 GLU 70 1HG GLU 70 2.212 -15.251 3.588 529 H LYS 71 HN LYS 71 0.117 -13.536 -0.272 530 HA LYS 71 HA LYS 71 0.149 -10.728 -0.412 531 HB2 LYS 71 2HB LYS 71 1.127 -12.695 -1.952 532 HB3 LYS 71 1HB LYS 71 -0.310 -12.320 -2.883 533 HG2 LYS 71 2HG LYS 71 1.449 -10.076 -2.051 534 HG3 LYS 71 1HG LYS 71 1.987 -11.132 -3.358 535 HD2 LYS 71 2HD LYS 71 -0.731 -9.847 -3.341 536 HD3 LYS 71 1HD LYS 71 0.690 -9.039 -4.004 537 HE2 LYS 71 2HE LYS 71 1.030 -11.040 -5.474 538 HE3 LYS 71 1HE LYS 71 -0.528 -11.643 -4.911 539 HZ1 LYS 71 3HZ LYS 71 -0.080 -9.067 -6.329 540 HZ2 LYS 71 1HZ LYS 71 -1.580 -9.645 -5.784 541 HZ3 LYS 71 2HZ LYS 71 -0.743 -10.466 -7.012 542 H LEU 72 HN LEU 72 -2.172 -13.115 -1.598 543 HA LEU 72 HA LEU 72 -4.019 -11.300 -2.690 544 HG LEU 72 HG LEU 72 -2.881 -14.159 -3.376 545 HB2 LEU 72 2HB LEU 72 -4.528 -14.052 -1.553 546 HB3 LEU 72 1HB LEU 72 -5.623 -13.163 -2.594 547 HD11 LEU 72 1HD1 LEU 72 -4.141 -15.676 -4.852 548 HD12 LEU 72 2HD1 LEU 72 -5.640 -15.122 -4.106 549 HD13 LEU 72 3HD1 LEU 72 -4.440 -15.984 -3.142 550 HD21 LEU 72 3HD2 LEU 72 -3.493 -13.454 -5.630 551 HD22 LEU 72 1HD2 LEU 72 -3.478 -12.082 -4.522 552 HD23 LEU 72 2HD2 LEU 72 -5.011 -12.796 -5.021 553 H ILE 73 HN ILE 73 -3.867 -12.772 0.550 554 HA ILE 73 HA ILE 73 -6.293 -11.744 1.512 555 HB ILE 73 HB ILE 73 -3.774 -12.418 3.033 556 HG12 ILE 73 2HG1 ILE 73 -4.749 -14.312 1.839 557 HG13 ILE 73 1HG1 ILE 73 -4.978 -14.490 3.572 558 HG21 ILE 73 1HG2 ILE 73 -6.558 -11.933 4.092 559 HG22 ILE 73 2HG2 ILE 73 -5.152 -10.900 4.348 560 HG23 ILE 73 3HG2 ILE 73 -5.186 -12.525 5.031 561 HD11 ILE 73 3HD1 ILE 73 -7.294 -13.720 3.335 562 HD12 ILE 73 1HD1 ILE 73 -6.960 -15.166 2.379 563 HD13 ILE 73 2HD1 ILE 73 -7.053 -13.591 1.592 564 H PHE 74 HN PHE 74 -3.015 -10.394 1.593 565 HA PHE 74 HA PHE 74 -3.597 -8.044 3.006 566 HD1 PHE 74 1HD PHE 74 -1.402 -6.760 4.086 567 HD2 PHE 74 2HD PHE 74 -1.140 -6.446 -0.155 568 HE1 PHE 74 1HE PHE 74 -0.595 -4.446 4.310 569 HE2 PHE 74 2HE PHE 74 -0.333 -4.134 0.065 570 HZ PHE 74 HZ PHE 74 -0.059 -3.131 2.299 571 HB2 PHE 74 2HB PHE 74 -1.307 -8.774 2.559 572 HB3 PHE 74 1HB PHE 74 -1.544 -8.532 0.832 573 H GLU 75 HN GLU 75 -3.623 -8.706 -0.483 574 HA GLU 75 HA GLU 75 -4.371 -6.121 -1.288 575 HB2 GLU 75 2HB GLU 75 -4.715 -8.796 -2.631 576 HB3 GLU 75 1HB GLU 75 -5.151 -7.281 -3.397 577 HG2 GLU 75 2HG GLU 75 -2.743 -6.561 -2.933 578 HG3 GLU 75 1HG GLU 75 -2.439 -8.272 -2.631 579 H LEU 76 HN LEU 76 -6.310 -8.939 -0.391 580 HA LEU 76 HA LEU 76 -8.823 -7.983 -1.086 581 HG LEU 76 HG LEU 76 -7.592 -10.710 -1.192 582 HB2 LEU 76 2HB LEU 76 -7.876 -9.824 1.095 583 HB3 LEU 76 1HB LEU 76 -9.559 -9.535 0.760 584 HD11 LEU 76 1HD1 LEU 76 -9.810 -12.030 0.369 585 HD12 LEU 76 2HD1 LEU 76 -8.082 -12.226 0.659 586 HD13 LEU 76 3HD1 LEU 76 -8.793 -12.802 -0.847 587 HD21 LEU 76 3HD2 LEU 76 -9.538 -11.169 -2.574 588 HD22 LEU 76 1HD2 LEU 76 -9.391 -9.438 -2.269 589 HD23 LEU 76 2HD2 LEU 76 -10.584 -10.391 -1.387 590 H LYS 77 HN LYS 77 -6.954 -7.601 1.908 591 HA LYS 77 HA LYS 77 -8.925 -6.068 3.251 592 HB2 LYS 77 2HB LYS 77 -5.971 -6.444 3.676 593 HB3 LYS 77 1HB LYS 77 -6.906 -5.333 4.664 594 HG2 LYS 77 2HG LYS 77 -8.366 -7.188 5.344 595 HG3 LYS 77 1HG LYS 77 -7.375 -8.292 4.388 596 HD2 LYS 77 2HD LYS 77 -5.482 -7.934 5.778 597 HD3 LYS 77 1HD LYS 77 -6.255 -6.574 6.594 598 HE2 LYS 77 2HE LYS 77 -6.299 -8.514 8.034 599 HE3 LYS 77 1HE LYS 77 -7.937 -8.123 7.518 600 HZ1 LYS 77 3HZ LYS 77 -7.597 -10.476 7.401 601 HZ2 LYS 77 1HZ LYS 77 -6.213 -10.286 6.441 602 HZ3 LYS 77 2HZ LYS 77 -7.739 -9.872 5.822 603 H THR 78 HN THR 78 -6.094 -5.175 1.292 604 HA THR 78 HA THR 78 -6.353 -2.397 1.748 605 HB THR 78 HB THR 78 -4.928 -2.135 -0.313 606 HG1 THR 78 1HG THR 78 -5.742 -4.625 -0.756 607 HG21 THR 78 3HG2 THR 78 -3.977 -4.059 1.812 608 HG22 THR 78 1HG2 THR 78 -3.937 -2.298 1.901 609 HG23 THR 78 2HG2 THR 78 -2.935 -3.143 0.722 610 H ARG 79 HN ARG 79 -7.902 -4.552 -0.546 611 HA ARG 79 HA ARG 79 -8.894 -2.692 -2.360 612 HE ARG 79 HE ARG 79 -8.538 -2.632 -4.678 613 HB2 ARG 79 2HB ARG 79 -9.663 -5.393 -1.422 614 HB3 ARG 79 1HB ARG 79 -10.887 -4.475 -2.274 615 HG2 ARG 79 2HG ARG 79 -8.157 -4.786 -3.431 616 HG3 ARG 79 1HG ARG 79 -9.351 -6.072 -3.582 617 HD2 ARG 79 2HD ARG 79 -9.513 -4.742 -5.544 618 HD3 ARG 79 1HD ARG 79 -10.921 -4.373 -4.553 619 HH11 ARG 79 1HH1 ARG 79 -12.015 -3.084 -4.643 620 HH12 ARG 79 2HH1 ARG 79 -12.371 -1.387 -4.778 621 HH21 ARG 79 1HH2 ARG 79 -9.009 -0.395 -4.879 622 HH22 ARG 79 2HH2 ARG 79 -10.665 0.136 -4.905 623 H SER 80 HN SER 80 -10.174 -3.767 0.752 624 HA SER 80 HA SER 80 -12.555 -2.221 0.518 625 HG SER 80 HG SER 80 -11.634 -5.282 1.684 626 HB2 SER 80 2HB SER 80 -11.394 -3.586 2.950 627 HB3 SER 80 1HB SER 80 -13.071 -3.130 2.686 628 H LEU 81 HN LEU 81 -9.375 -1.596 1.541 629 HA LEU 81 HA LEU 81 -10.118 0.611 3.271 630 HG LEU 81 HG LEU 81 -7.031 1.564 2.560 631 HB2 LEU 81 2HB LEU 81 -8.346 -0.596 4.165 632 HB3 LEU 81 1HB LEU 81 -7.596 -0.852 2.601 633 HD11 LEU 81 1HD1 LEU 81 -8.692 2.370 4.154 634 HD12 LEU 81 2HD1 LEU 81 -7.067 2.789 4.700 635 HD13 LEU 81 3HD1 LEU 81 -7.927 1.439 5.442 636 HD21 LEU 81 3HD2 LEU 81 -5.373 -0.099 3.165 637 HD22 LEU 81 1HD2 LEU 81 -5.926 -0.070 4.840 638 HD23 LEU 81 2HD2 LEU 81 -5.155 1.354 4.141 639 H ALA 82 HN ALA 82 -8.620 -0.050 0.163 640 HA ALA 82 HA ALA 82 -8.224 2.794 -0.373 641 HB1 ALA 82 1HB ALA 82 -7.556 0.389 -2.070 642 HB2 ALA 82 2HB ALA 82 -6.439 1.229 -0.994 643 HB3 ALA 82 3HB ALA 82 -7.091 2.058 -2.407 644 H ARG 83 HN ARG 83 -10.785 1.165 -0.217 645 HA ARG 83 HA ARG 83 -12.063 1.332 -2.737 646 HE ARG 83 HE ARG 83 -14.339 0.508 1.089 647 HB2 ARG 83 2HB ARG 83 -12.940 -0.134 -1.063 648 HB3 ARG 83 1HB ARG 83 -13.066 1.170 0.105 649 HG2 ARG 83 2HG ARG 83 -14.885 2.158 -1.123 650 HG3 ARG 83 1HG ARG 83 -14.701 0.967 -2.414 651 HD2 ARG 83 2HD ARG 83 -16.544 0.580 -0.662 652 HD3 ARG 83 1HD ARG 83 -15.499 -0.775 -1.089 653 HH11 ARG 83 1HH1 ARG 83 -17.376 -1.105 0.433 654 HH12 ARG 83 2HH1 ARG 83 -17.462 -1.856 2.002 655 HH21 ARG 83 1HH2 ARG 83 -14.458 -0.443 3.155 656 HH22 ARG 83 2HH2 ARG 83 -15.791 -1.487 3.552 657 H LEU 84 HN LEU 84 -13.675 2.892 -3.393 658 HA LEU 84 HA LEU 84 -12.701 5.546 -2.832 659 HG LEU 84 HG LEU 84 -12.472 3.908 -5.395 660 HB2 LEU 84 2HB LEU 84 -14.778 4.530 -4.758 661 HB3 LEU 84 1HB LEU 84 -14.282 6.204 -4.638 662 HD11 LEU 84 1HD1 LEU 84 -14.133 4.376 -7.118 663 HD12 LEU 84 2HD1 LEU 84 -12.525 4.886 -7.634 664 HD13 LEU 84 3HD1 LEU 84 -13.697 6.085 -7.086 665 HD21 LEU 84 3HD2 LEU 84 -11.992 6.890 -5.359 666 HD22 LEU 84 1HD2 LEU 84 -10.870 5.674 -5.972 667 HD23 LEU 84 2HD2 LEU 84 -11.281 5.712 -4.257 668 H GLU 85 HN GLU 85 -14.279 4.150 -0.783 669 HA GLU 85 HA GLU 85 -15.970 6.387 -0.138 670 HB2 GLU 85 2HB GLU 85 -17.970 5.022 0.364 671 HB3 GLU 85 1HB GLU 85 -17.595 5.098 -1.345 672 HG2 GLU 85 2HG GLU 85 -16.664 2.876 -1.285 673 HG3 GLU 85 1HG GLU 85 -16.863 2.813 0.465 674 H HIS 86 HN HIS 86 -16.579 6.496 1.983 675 HA HIS 86 HA HIS 86 -15.261 4.600 3.817 676 HD1 HIS 86 1HD HIS 86 -14.133 6.872 6.951 677 HD2 HIS 86 2HD HIS 86 -12.828 6.062 3.078 678 HE1 HIS 86 1HE HIS 86 -11.647 6.528 7.126 679 HE2 HIS 86 2HE HIS 86 -10.857 6.225 4.752 680 HB2 HIS 86 2HB HIS 86 -15.506 7.513 3.834 681 HB3 HIS 86 1HB HIS 86 -16.011 6.784 5.356 682 H HIS 87 HN HIS 87 -18.194 5.844 2.693 683 HA HIS 87 HA HIS 87 -19.754 3.907 4.008 684 HD1 HIS 87 1HD HIS 87 -22.490 7.247 4.627 685 HD2 HIS 87 2HD HIS 87 -18.480 8.149 5.306 686 HE1 HIS 87 1HE HIS 87 -22.323 9.757 4.506 687 HE2 HIS 87 2HE HIS 87 -19.870 10.271 4.762 688 HB2 HIS 87 2HB HIS 87 -21.153 5.266 5.435 689 HB3 HIS 87 1HB HIS 87 -19.485 5.528 5.920 690 H HIS 88 HN HIS 88 -19.657 7.054 2.495 691 HA HIS 88 HA HIS 88 -20.930 6.161 0.122 692 HD1 HIS 88 1HD HIS 88 -24.892 6.946 2.263 693 HD2 HIS 88 2HD HIS 88 -22.692 5.026 -0.699 694 HE1 HIS 88 1HE HIS 88 -26.282 4.968 1.557 695 HE2 HIS 88 2HE HIS 88 -24.822 3.700 -0.059 696 HB2 HIS 88 2HB HIS 88 -22.503 7.777 2.082 697 HB3 HIS 88 1HB HIS 88 -22.617 8.230 0.388 698 H HIS 89 HN HIS 89 -20.061 7.351 -1.500 699 HA HIS 89 HA HIS 89 -18.495 9.702 -0.659 700 HD1 HIS 89 1HD HIS 89 -15.388 9.102 -0.701 701 HD2 HIS 89 2HD HIS 89 -16.870 10.246 -4.418 702 HE1 HIS 89 1HE HIS 89 -13.702 10.723 -1.636 703 HE2 HIS 89 2HE HIS 89 -14.542 11.287 -3.946 704 HB2 HIS 89 2HB HIS 89 -17.302 7.631 -1.552 705 HB3 HIS 89 1HB HIS 89 -18.009 8.019 -3.115 706 H HIS 90 HN HIS 90 -20.943 8.521 -2.771 707 HA HIS 90 HA HIS 90 -20.799 10.702 -4.630 708 HD1 HIS 90 1HD HIS 90 -24.801 10.367 -5.360 709 HD2 HIS 90 2HD HIS 90 -21.361 9.717 -7.613 710 HE1 HIS 90 1HE HIS 90 -25.299 11.285 -7.647 711 HE2 HIS 90 2HE HIS 90 -23.147 11.035 -8.937 712 HB2 HIS 90 2HB HIS 90 -21.660 8.373 -5.149 713 HB3 HIS 90 1HB HIS 90 -23.108 8.796 -4.240 714 H HIS 91 HN HIS 91 -21.636 12.644 -4.386 715 HA HIS 91 HA HIS 91 -23.923 12.987 -2.560 716 HD1 HIS 91 1HD HIS 91 -20.028 13.780 -1.089 717 HD2 HIS 91 2HD HIS 91 -24.007 14.146 0.075 718 HE1 HIS 91 1HE HIS 91 -20.079 13.201 1.357 719 HE2 HIS 91 2HE HIS 91 -22.444 13.676 2.077 720 HB2 HIS 91 2HB HIS 91 -21.474 14.687 -2.910 721 HB3 HIS 91 1HB HIS 91 -22.987 15.418 -2.384 Start of MODEL 3 1 HA ALA 1 HA ALA 1 6.222 0.622 -19.662 2 H1 ALA 1 1HT ALA 1 4.417 -0.885 -19.126 3 H2 ALA 1 2HT ALA 1 3.866 0.714 -19.278 4 H3 ALA 1 3HT ALA 1 4.053 0.026 -17.739 5 HB1 ALA 1 2HB ALA 1 6.900 2.305 -18.013 6 HB2 ALA 1 3HB ALA 1 5.489 1.910 -17.032 7 HB3 ALA 1 1HB ALA 1 5.279 2.621 -18.632 8 H GLY 2 HN GLY 2 8.351 0.641 -18.327 9 HA2 GLY 2 2HA GLY 2 8.687 -2.049 -17.372 10 HA3 GLY 2 1HA GLY 2 9.941 -0.825 -17.520 11 H GLU 3 HN GLU 3 8.986 -2.779 -15.340 12 HA GLU 3 HA GLU 3 8.417 -0.902 -13.179 13 HB2 GLU 3 2HB GLU 3 7.168 -3.048 -13.345 14 HB3 GLU 3 1HB GLU 3 8.677 -3.917 -13.109 15 HG2 GLU 3 2HG GLU 3 7.339 -3.778 -11.066 16 HG3 GLU 3 1HG GLU 3 8.913 -3.004 -10.899 17 H ILE 4 HN ILE 4 9.763 -0.698 -11.336 18 HA ILE 4 HA ILE 4 12.562 -0.778 -11.990 19 HB ILE 4 HB ILE 4 11.498 -0.204 -9.240 20 HG12 ILE 4 2HG1 ILE 4 11.593 1.712 -11.585 21 HG13 ILE 4 1HG1 ILE 4 10.132 1.106 -10.816 22 HG21 ILE 4 1HG2 ILE 4 13.909 -0.338 -9.476 23 HG22 ILE 4 2HG2 ILE 4 13.422 1.327 -9.157 24 HG23 ILE 4 3HG2 ILE 4 13.865 0.834 -10.792 25 HD11 ILE 4 3HD1 ILE 4 10.648 3.380 -10.112 26 HD12 ILE 4 1HD1 ILE 4 12.213 2.841 -9.505 27 HD13 ILE 4 2HD1 ILE 4 10.727 2.257 -8.756 28 H GLY 5 HN GLY 5 14.181 -1.817 -10.648 29 HA2 GLY 5 2HA GLY 5 13.411 -4.588 -10.315 30 HA3 GLY 5 1HA GLY 5 15.048 -3.961 -10.345 31 H PHE 6 HN PHE 6 14.839 -2.059 -8.327 32 HA PHE 6 HA PHE 6 15.394 -1.895 -6.159 33 HD1 PHE 6 1HD PHE 6 13.780 -0.654 -4.071 34 HD2 PHE 6 2HD PHE 6 11.581 -2.178 -7.382 35 HE1 PHE 6 1HE PHE 6 12.470 1.429 -4.158 36 HE2 PHE 6 2HE PHE 6 10.274 -0.098 -7.477 37 HZ PHE 6 HZ PHE 6 10.713 1.711 -5.865 38 HB2 PHE 6 2HB PHE 6 12.949 -3.612 -6.093 39 HB3 PHE 6 1HB PHE 6 13.739 -3.070 -4.628 40 H ILE 7 HN ILE 7 15.629 -3.439 -4.031 41 HA ILE 7 HA ILE 7 17.462 -5.527 -4.727 42 HB ILE 7 HB ILE 7 16.200 -4.893 -2.051 43 HG12 ILE 7 2HG1 ILE 7 18.901 -4.163 -3.205 44 HG13 ILE 7 1HG1 ILE 7 17.557 -3.057 -2.947 45 HG21 ILE 7 1HG2 ILE 7 18.017 -6.226 -1.090 46 HG22 ILE 7 2HG2 ILE 7 18.562 -6.648 -2.715 47 HG23 ILE 7 3HG2 ILE 7 16.986 -7.194 -2.143 48 HD11 ILE 7 3HD1 ILE 7 17.715 -3.423 -0.542 49 HD12 ILE 7 1HD1 ILE 7 19.232 -2.825 -1.212 50 HD13 ILE 7 2HD1 ILE 7 19.063 -4.530 -0.800 51 H ILE 8 HN ILE 8 14.211 -5.429 -3.314 52 HA ILE 8 HA ILE 8 13.816 -8.241 -4.008 53 HB ILE 8 HB ILE 8 12.044 -6.300 -2.514 54 HG12 ILE 8 2HG1 ILE 8 13.572 -8.748 -1.615 55 HG13 ILE 8 1HG1 ILE 8 14.014 -7.079 -1.273 56 HG21 ILE 8 1HG2 ILE 8 11.571 -9.218 -3.132 57 HG22 ILE 8 2HG2 ILE 8 10.666 -7.851 -3.786 58 HG23 ILE 8 3HG2 ILE 8 10.581 -8.219 -2.065 59 HD11 ILE 8 3HD1 ILE 8 11.928 -6.817 0.004 60 HD12 ILE 8 1HD1 ILE 8 12.976 -8.077 0.656 61 HD13 ILE 8 2HD1 ILE 8 11.558 -8.516 -0.294 62 H LYS 9 HN LYS 9 12.710 -8.852 -5.763 63 HA LYS 9 HA LYS 9 11.635 -6.722 -7.457 64 HB2 LYS 9 2HB LYS 9 11.999 -8.359 -9.326 65 HB3 LYS 9 1HB LYS 9 13.462 -7.778 -8.559 66 HG2 LYS 9 2HG LYS 9 12.252 -10.353 -7.664 67 HG3 LYS 9 1HG LYS 9 13.178 -10.297 -9.164 68 HD2 LYS 9 2HD LYS 9 15.083 -9.347 -7.918 69 HD3 LYS 9 1HD LYS 9 14.157 -9.482 -6.425 70 HE2 LYS 9 2HE LYS 9 15.613 -11.362 -6.545 71 HE3 LYS 9 1HE LYS 9 13.974 -11.932 -6.850 72 HZ1 LYS 9 3HZ LYS 9 16.050 -11.401 -8.910 73 HZ2 LYS 9 1HZ LYS 9 14.466 -11.919 -9.231 74 HZ3 LYS 9 2HZ LYS 9 15.534 -12.926 -8.384 75 H GLU 10 HN GLU 10 10.126 -8.081 -9.227 76 HA GLU 10 HA GLU 10 7.716 -8.467 -7.813 77 HB2 GLU 10 2HB GLU 10 8.400 -9.191 -10.662 78 HB3 GLU 10 1HB GLU 10 6.797 -8.970 -9.997 79 HG2 GLU 10 2HG GLU 10 7.089 -6.650 -9.759 80 HG3 GLU 10 1HG GLU 10 8.829 -6.773 -10.032 81 H GLY 11 HN GLY 11 6.326 -10.451 -8.158 82 HA2 GLY 11 2HA GLY 11 7.413 -12.938 -8.826 83 HA3 GLY 11 1HA GLY 11 7.579 -12.721 -7.091 84 H ASP 12 HN ASP 12 6.190 -14.694 -7.319 85 HA ASP 12 HA ASP 12 3.410 -14.292 -7.977 86 HB2 ASP 12 2HB ASP 12 4.262 -16.429 -8.520 87 HB3 ASP 12 1HB ASP 12 5.045 -16.612 -6.964 88 H GLU 13 HN GLU 13 5.449 -14.283 -5.210 89 HA GLU 13 HA GLU 13 3.126 -14.032 -3.422 90 HB2 GLU 13 2HB GLU 13 4.745 -14.508 -1.587 91 HB3 GLU 13 1HB GLU 13 4.598 -15.821 -2.745 92 HG2 GLU 13 2HG GLU 13 6.802 -13.786 -2.902 93 HG3 GLU 13 1HG GLU 13 6.928 -15.245 -1.923 94 H VAL 14 HN VAL 14 4.593 -11.996 -5.207 95 HA VAL 14 HA VAL 14 5.221 -10.042 -3.088 96 HB VAL 14 HB VAL 14 6.357 -10.045 -5.889 97 HG11 VAL 14 1HG1 VAL 14 6.308 -7.857 -4.866 98 HG12 VAL 14 2HG1 VAL 14 7.969 -8.449 -4.941 99 HG13 VAL 14 3HG1 VAL 14 7.086 -8.490 -3.414 100 HG21 VAL 14 3HG2 VAL 14 7.146 -12.020 -4.692 101 HG22 VAL 14 1HG2 VAL 14 7.657 -11.006 -3.341 102 HG23 VAL 14 2HG2 VAL 14 8.445 -10.848 -4.910 103 H ALA 15 HN ALA 15 4.291 -8.028 -3.224 104 HA ALA 15 HA ALA 15 2.705 -7.381 -5.611 105 HB1 ALA 15 1HB ALA 15 1.173 -8.379 -3.956 106 HB2 ALA 15 2HB ALA 15 0.803 -6.684 -4.268 107 HB3 ALA 15 3HB ALA 15 1.650 -7.143 -2.792 108 H ASP 16 HN ASP 16 2.704 -5.243 -6.160 109 HA ASP 16 HA ASP 16 4.396 -3.471 -4.566 110 HB2 ASP 16 2HB ASP 16 3.254 -3.087 -7.335 111 HB3 ASP 16 1HB ASP 16 4.376 -2.006 -6.534 112 H VAL 17 HN VAL 17 3.678 -1.685 -3.607 113 HA VAL 17 HA VAL 17 0.960 -0.719 -4.210 114 HB VAL 17 HB VAL 17 2.189 -0.651 -1.453 115 HG11 VAL 17 1HG1 VAL 17 -0.051 -0.015 -0.720 116 HG12 VAL 17 2HG1 VAL 17 -0.611 -0.065 -2.392 117 HG13 VAL 17 3HG1 VAL 17 0.592 1.128 -1.900 118 HG21 VAL 17 3HG2 VAL 17 0.608 -2.397 -0.805 119 HG22 VAL 17 1HG2 VAL 17 1.715 -2.970 -2.053 120 HG23 VAL 17 2HG2 VAL 17 0.062 -2.526 -2.476 121 H THR 18 HN THR 18 0.837 1.452 -4.487 122 HA THR 18 HA THR 18 3.203 3.060 -3.858 123 HB THR 18 HB THR 18 1.780 3.109 -6.525 124 HG1 THR 18 1HG THR 18 3.553 1.418 -5.712 125 HG21 THR 18 3HG2 THR 18 2.648 5.315 -5.835 126 HG22 THR 18 1HG2 THR 18 3.542 4.660 -7.208 127 HG23 THR 18 2HG2 THR 18 4.244 4.600 -5.591 128 H ILE 19 HN ILE 19 2.624 4.749 -2.689 129 HA ILE 19 HA ILE 19 -0.158 5.692 -2.865 130 HB ILE 19 HB ILE 19 1.775 6.321 -0.634 131 HG12 ILE 19 2HG1 ILE 19 0.215 4.603 0.614 132 HG13 ILE 19 1HG1 ILE 19 -0.011 3.944 -1.002 133 HG21 ILE 19 1HG2 ILE 19 -0.262 6.846 0.619 134 HG22 ILE 19 2HG2 ILE 19 -1.228 6.463 -0.804 135 HG23 ILE 19 3HG2 ILE 19 -0.113 7.828 -0.837 136 HD11 ILE 19 3HD1 ILE 19 2.607 4.254 0.448 137 HD12 ILE 19 1HD1 ILE 19 2.413 3.630 -1.190 138 HD13 ILE 19 2HD1 ILE 19 1.728 2.749 0.176 139 H PHE 20 HN PHE 20 -0.583 7.830 -3.219 140 HA PHE 20 HA PHE 20 1.682 9.663 -3.450 141 HD1 PHE 20 1HD PHE 20 -1.922 10.819 -5.407 142 HD2 PHE 20 2HD PHE 20 0.090 7.186 -6.331 143 HE1 PHE 20 1HE PHE 20 -4.003 9.911 -6.356 144 HE2 PHE 20 2HE PHE 20 -1.988 6.270 -7.278 145 HZ PHE 20 HZ PHE 20 -4.036 7.635 -7.292 146 HB2 PHE 20 2HB PHE 20 0.537 10.668 -5.479 147 HB3 PHE 20 1HB PHE 20 1.329 9.118 -5.723 148 H ALA 21 HN ALA 21 1.282 11.752 -2.883 149 HA ALA 21 HA ALA 21 -1.339 12.794 -2.418 150 HB1 ALA 21 1HB ALA 21 -1.129 11.313 -0.449 151 HB2 ALA 21 2HB ALA 21 -1.241 13.018 -0.012 152 HB3 ALA 21 3HB ALA 21 0.318 12.196 0.033 153 H GLU 22 HN GLU 22 -1.005 14.911 -0.956 154 HA GLU 22 HA GLU 22 0.908 16.423 -2.491 155 HB2 GLU 22 2HB GLU 22 -1.134 17.244 -0.432 156 HB3 GLU 22 1HB GLU 22 -0.106 18.376 -1.305 157 HG2 GLU 22 2HG GLU 22 -2.037 16.454 -2.581 158 HG3 GLU 22 1HG GLU 22 -2.344 18.165 -2.292 159 H THR 23 HN THR 23 0.569 15.377 0.847 160 HA THR 23 HA THR 23 3.067 16.799 1.466 161 HB THR 23 HB THR 23 2.439 16.532 3.857 162 HG1 THR 23 1HG THR 23 0.333 15.838 4.356 163 HG21 THR 23 3HG2 THR 23 1.917 18.612 2.666 164 HG22 THR 23 1HG2 THR 23 0.684 18.242 3.872 165 HG23 THR 23 2HG2 THR 23 0.367 17.937 2.165 166 H LYS 24 HN LYS 24 4.795 15.731 2.299 167 HA LYS 24 HA LYS 24 5.164 12.994 1.792 168 HB2 LYS 24 2HB LYS 24 6.997 14.638 2.099 169 HB3 LYS 24 1HB LYS 24 6.616 14.722 3.808 170 HG2 LYS 24 2HG LYS 24 7.204 12.383 4.089 171 HG3 LYS 24 1HG LYS 24 7.533 12.241 2.362 172 HD2 LYS 24 2HD LYS 24 9.614 12.493 3.583 173 HD3 LYS 24 1HD LYS 24 9.325 13.924 2.595 174 HE2 LYS 24 2HE LYS 24 10.130 14.583 4.780 175 HE3 LYS 24 1HE LYS 24 8.456 15.092 4.580 176 HZ1 LYS 24 3HZ LYS 24 8.903 14.128 6.775 177 HZ2 LYS 24 1HZ LYS 24 9.316 12.656 6.049 178 HZ3 LYS 24 2HZ LYS 24 7.735 13.243 5.924 179 H ASP 25 HN ASP 25 4.151 14.724 4.648 180 HA ASP 25 HA ASP 25 4.130 12.689 6.529 181 HB2 ASP 25 2HB ASP 25 3.660 15.031 7.079 182 HB3 ASP 25 1HB ASP 25 2.134 14.939 6.210 183 H ALA 26 HN ALA 26 1.628 13.552 4.156 184 HA ALA 26 HA ALA 26 -0.254 11.619 4.984 185 HB1 ALA 26 1HB ALA 26 0.096 12.787 2.225 186 HB2 ALA 26 2HB ALA 26 -0.806 13.541 3.538 187 HB3 ALA 26 3HB ALA 26 -1.354 12.007 2.862 188 H LEU 27 HN LEU 27 2.323 11.544 2.569 189 HA LEU 27 HA LEU 27 1.987 8.964 1.584 190 HG LEU 27 HG LEU 27 3.236 9.358 -0.489 191 HB2 LEU 27 2HB LEU 27 4.308 10.803 1.933 192 HB3 LEU 27 1HB LEU 27 4.650 9.134 1.559 193 HD11 LEU 27 1HD1 LEU 27 3.280 12.282 0.236 194 HD12 LEU 27 2HD1 LEU 27 1.863 11.234 0.242 195 HD13 LEU 27 3HD1 LEU 27 2.685 11.595 -1.276 196 HD21 LEU 27 3HD2 LEU 27 4.904 10.647 -1.742 197 HD22 LEU 27 1HD2 LEU 27 5.653 9.527 -0.604 198 HD23 LEU 27 2HD2 LEU 27 5.571 11.246 -0.223 199 H GLU 28 HN GLU 28 3.993 10.063 4.292 200 HA GLU 28 HA GLU 28 4.920 7.546 5.074 201 HB2 GLU 28 2HB GLU 28 4.601 10.118 6.620 202 HB3 GLU 28 1HB GLU 28 5.509 8.731 7.188 203 HG2 GLU 28 2HG GLU 28 7.081 8.939 5.399 204 HG3 GLU 28 1HG GLU 28 6.109 10.195 4.634 205 H SER 29 HN SER 29 2.068 9.392 6.090 206 HA SER 29 HA SER 29 1.395 7.738 8.278 207 HG SER 29 HG SER 29 1.249 10.718 7.506 208 HB2 SER 29 2HB SER 29 -0.400 9.500 6.597 209 HB3 SER 29 1HB SER 29 -0.782 8.855 8.190 210 H GLU 30 HN GLU 30 0.268 7.776 4.903 211 HA GLU 30 HA GLU 30 -1.609 5.675 5.274 212 HB2 GLU 30 2HB GLU 30 -1.287 7.536 3.386 213 HB3 GLU 30 1HB GLU 30 -0.436 6.219 2.591 214 HG2 GLU 30 2HG GLU 30 -2.738 6.296 1.882 215 HG3 GLU 30 1HG GLU 30 -2.421 4.819 2.790 216 H LEU 31 HN LEU 31 1.702 5.862 4.094 217 HA LEU 31 HA LEU 31 2.064 3.209 3.276 218 HG LEU 31 HG LEU 31 5.524 4.084 2.572 219 HB2 LEU 31 2HB LEU 31 3.571 5.232 2.950 220 HB3 LEU 31 1HB LEU 31 4.134 4.978 4.581 221 HD11 LEU 31 1HD1 LEU 31 4.926 2.380 4.982 222 HD12 LEU 31 2HD1 LEU 31 6.097 3.696 4.889 223 HD13 LEU 31 3HD1 LEU 31 6.341 2.230 3.941 224 HD21 LEU 31 3HD2 LEU 31 4.988 1.751 2.001 225 HD22 LEU 31 1HD2 LEU 31 3.753 2.883 1.449 226 HD23 LEU 31 2HD2 LEU 31 3.469 1.901 2.886 227 H ALA 32 HN ALA 32 2.608 4.767 6.399 228 HA ALA 32 HA ALA 32 3.533 2.592 7.858 229 HB1 ALA 32 1HB ALA 32 1.775 4.835 8.839 230 HB2 ALA 32 2HB ALA 32 3.535 4.868 8.728 231 HB3 ALA 32 3HB ALA 32 2.745 3.761 9.849 232 H LYS 33 HN LYS 33 0.190 3.555 7.163 233 HA LYS 33 HA LYS 33 -1.124 1.663 8.758 234 HB2 LYS 33 2HB LYS 33 -2.001 2.801 6.094 235 HB3 LYS 33 1HB LYS 33 -3.035 2.033 7.277 236 HG2 LYS 33 2HG LYS 33 -2.671 3.837 8.837 237 HG3 LYS 33 1HG LYS 33 -1.529 4.596 7.721 238 HD2 LYS 33 2HD LYS 33 -3.385 4.709 6.040 239 HD3 LYS 33 1HD LYS 33 -4.482 4.158 7.305 240 HE2 LYS 33 2HE LYS 33 -3.996 6.116 8.635 241 HE3 LYS 33 1HE LYS 33 -2.794 6.650 7.461 242 HZ1 LYS 33 3HZ LYS 33 -4.568 6.850 5.809 243 HZ2 LYS 33 1HZ LYS 33 -4.862 7.832 7.162 244 HZ3 LYS 33 2HZ LYS 33 -5.712 6.379 6.973 245 H TYR 34 HN TYR 34 0.013 1.533 5.417 246 HA TYR 34 HA TYR 34 -1.131 -1.004 4.868 247 HD1 TYR 34 1HD TYR 34 -2.539 -0.266 3.705 248 HD2 TYR 34 2HD TYR 34 0.469 2.081 1.815 249 HE1 TYR 34 1HE TYR 34 -4.281 1.173 2.731 250 HE2 TYR 34 2HE TYR 34 -1.268 3.525 0.840 251 HH TYR 34 HH TYR 34 -4.416 3.580 1.884 252 HB2 TYR 34 2HB TYR 34 1.089 0.475 3.443 253 HB3 TYR 34 1HB TYR 34 0.262 -0.953 2.824 254 H ILE 35 HN ILE 35 2.092 0.019 5.942 255 HA ILE 35 HA ILE 35 3.218 -2.582 5.921 256 HB ILE 35 HB ILE 35 3.921 -0.163 7.593 257 HG12 ILE 35 2HG1 ILE 35 5.164 -1.419 5.137 258 HG13 ILE 35 1HG1 ILE 35 4.350 0.140 5.226 259 HG21 ILE 35 1HG2 ILE 35 4.594 -2.185 8.781 260 HG22 ILE 35 2HG2 ILE 35 6.000 -1.317 8.168 261 HG23 ILE 35 3HG2 ILE 35 5.428 -2.764 7.340 262 HD11 ILE 35 3HD1 ILE 35 6.931 -0.580 6.602 263 HD12 ILE 35 1HD1 ILE 35 6.123 0.988 6.669 264 HD13 ILE 35 2HD1 ILE 35 6.768 0.390 5.139 265 H GLU 36 HN GLU 36 1.403 -0.762 8.335 266 HA GLU 36 HA GLU 36 1.629 -2.614 10.433 267 HB2 GLU 36 2HB GLU 36 0.004 -0.247 9.794 268 HB3 GLU 36 1HB GLU 36 -0.763 -1.385 10.883 269 HG2 GLU 36 2HG GLU 36 1.972 -0.206 11.300 270 HG3 GLU 36 1HG GLU 36 0.489 0.412 12.028 271 H LEU 37 HN LEU 37 -0.756 -2.236 7.863 272 HA LEU 37 HA LEU 37 -2.409 -4.398 8.615 273 HG LEU 37 HG LEU 37 -4.499 -3.702 7.522 274 HB2 LEU 37 2HB LEU 37 -2.524 -2.436 6.744 275 HB3 LEU 37 1HB LEU 37 -2.075 -3.793 5.734 276 HD11 LEU 37 1HD1 LEU 37 -5.768 -3.509 5.437 277 HD12 LEU 37 2HD1 LEU 37 -4.257 -3.407 4.532 278 HD13 LEU 37 3HD1 LEU 37 -4.689 -2.135 5.675 279 HD21 LEU 37 3HD2 LEU 37 -5.180 -5.718 6.309 280 HD22 LEU 37 1HD2 LEU 37 -3.672 -5.969 7.190 281 HD23 LEU 37 2HD2 LEU 37 -3.643 -5.714 5.445 282 H ALA 38 HN ALA 38 0.516 -4.121 6.693 283 HA ALA 38 HA ALA 38 0.426 -6.682 5.496 284 HB1 ALA 38 1HB ALA 38 1.796 -4.860 4.605 285 HB2 ALA 38 2HB ALA 38 2.761 -6.303 4.916 286 HB3 ALA 38 3HB ALA 38 2.831 -4.939 6.032 287 H LYS 39 HN LYS 39 2.015 -5.474 8.427 288 HA LYS 39 HA LYS 39 3.315 -7.881 9.087 289 HB2 LYS 39 2HB LYS 39 2.405 -5.587 10.824 290 HB3 LYS 39 1HB LYS 39 3.407 -6.909 11.397 291 HG2 LYS 39 2HG LYS 39 5.130 -6.299 9.753 292 HG3 LYS 39 1HG LYS 39 4.124 -4.942 9.235 293 HD2 LYS 39 2HD LYS 39 4.234 -3.996 11.490 294 HD3 LYS 39 1HD LYS 39 5.217 -5.360 12.020 295 HE2 LYS 39 2HE LYS 39 5.988 -3.368 9.892 296 HE3 LYS 39 1HE LYS 39 6.554 -3.357 11.557 297 HZ1 LYS 39 3HZ LYS 39 7.089 -5.431 9.512 298 HZ2 LYS 39 1HZ LYS 39 7.485 -5.600 11.150 299 HZ3 LYS 39 2HZ LYS 39 8.214 -4.385 10.223 300 H SER 40 HN SER 40 0.058 -6.756 9.607 301 HA SER 40 HA SER 40 -0.641 -8.740 11.544 302 HG SER 40 HG SER 40 -3.000 -8.374 12.209 303 HB2 SER 40 2HB SER 40 -1.853 -6.591 11.345 304 HB3 SER 40 1HB SER 40 -2.420 -7.067 9.746 305 H VAL 41 HN VAL 41 -0.725 -8.489 8.052 306 HA VAL 41 HA VAL 41 -2.234 -10.930 7.718 307 HB VAL 41 HB VAL 41 -0.777 -9.233 5.678 308 HG11 VAL 41 1HG1 VAL 41 -1.020 -11.561 4.941 309 HG12 VAL 41 2HG1 VAL 41 -2.019 -10.463 3.987 310 HG13 VAL 41 3HG1 VAL 41 -2.755 -11.467 5.239 311 HG21 VAL 41 3HG2 VAL 41 -3.000 -8.440 5.065 312 HG22 VAL 41 1HG2 VAL 41 -2.640 -8.076 6.754 313 HG23 VAL 41 2HG2 VAL 41 -3.710 -9.419 6.349 314 H CYS 42 HN CYS 42 1.137 -9.905 7.507 315 HA CYS 42 HA CYS 42 1.909 -12.717 7.182 316 HG CYS 42 HG CYS 42 3.854 -13.563 4.920 317 HB2 CYS 42 2HB CYS 42 2.098 -11.570 5.014 318 HB3 CYS 42 1HB CYS 42 3.133 -10.353 5.748 319 H ALA 43 HN ALA 43 3.295 -13.363 8.645 320 HA ALA 43 HA ALA 43 4.196 -11.664 10.714 321 HB1 ALA 43 1HB ALA 43 3.735 -14.066 11.015 322 HB2 ALA 43 2HB ALA 43 5.338 -13.607 11.585 323 HB3 ALA 43 3HB ALA 43 5.157 -14.442 10.042 324 H GLY 44 HN GLY 44 5.982 -13.355 8.134 325 HA2 GLY 44 2HA GLY 44 8.272 -11.585 8.695 326 HA3 GLY 44 1HA GLY 44 8.393 -13.180 7.968 327 H VAL 45 HN VAL 45 6.419 -10.304 7.266 328 HA VAL 45 HA VAL 45 6.750 -10.660 4.449 329 HB VAL 45 HB VAL 45 4.695 -9.680 5.250 330 HG11 VAL 45 1HG1 VAL 45 6.346 -7.378 6.282 331 HG12 VAL 45 2HG1 VAL 45 5.546 -8.602 7.269 332 HG13 VAL 45 3HG1 VAL 45 4.584 -7.487 6.297 333 HG21 VAL 45 3HG2 VAL 45 5.411 -9.000 3.034 334 HG22 VAL 45 1HG2 VAL 45 6.331 -7.660 3.719 335 HG23 VAL 45 2HG2 VAL 45 4.571 -7.673 3.837 336 H GLU 46 HN GLU 46 8.324 -9.948 3.187 337 HA GLU 46 HA GLU 46 10.281 -8.053 4.295 338 HB2 GLU 46 2HB GLU 46 10.554 -9.834 1.866 339 HB3 GLU 46 1HB GLU 46 11.827 -8.893 2.627 340 HG2 GLU 46 2HG GLU 46 11.681 -10.267 4.621 341 HG3 GLU 46 1HG GLU 46 10.362 -11.183 3.896 342 H TYR 47 HN TYR 47 10.209 -6.030 3.582 343 HA TYR 47 HA TYR 47 8.989 -5.550 0.958 344 HD1 TYR 47 1HD TYR 47 9.223 -2.328 3.789 345 HD2 TYR 47 2HD TYR 47 7.081 -5.921 4.557 346 HE1 TYR 47 1HE TYR 47 9.355 -1.887 6.207 347 HE2 TYR 47 2HE TYR 47 7.210 -5.492 6.972 348 HH TYR 47 HH TYR 47 8.258 -2.475 8.262 349 HB2 TYR 47 2HB TYR 47 7.906 -3.481 2.015 350 HB3 TYR 47 1HB TYR 47 7.183 -5.047 2.341 351 H ASN 48 HN ASN 48 9.788 -3.967 -0.240 352 HA ASN 48 HA ASN 48 11.974 -2.347 0.905 353 HB2 ASN 48 2HB ASN 48 11.411 -3.158 -1.940 354 HB3 ASN 48 1HB ASN 48 12.486 -1.837 -1.549 355 HD21 ASN 48 1HD2 ASN 48 12.416 -4.530 0.611 356 HD22 ASN 48 2HD2 ASN 48 13.934 -5.211 0.129 357 H VAL 49 HN VAL 49 12.118 -0.169 -0.192 358 HA VAL 49 HA VAL 49 9.526 1.029 -0.768 359 HB VAL 49 HB VAL 49 11.208 2.067 1.536 360 HG11 VAL 49 1HG1 VAL 49 8.484 2.911 0.556 361 HG12 VAL 49 2HG1 VAL 49 9.987 3.804 0.335 362 HG13 VAL 49 3HG1 VAL 49 9.332 3.569 1.956 363 HG21 VAL 49 3HG2 VAL 49 10.113 -0.024 2.184 364 HG22 VAL 49 1HG2 VAL 49 8.558 0.632 1.674 365 HG23 VAL 49 2HG2 VAL 49 9.418 1.359 3.031 366 H SER 50 HN SER 50 9.717 2.975 -1.909 367 HA SER 50 HA SER 50 12.217 3.537 -3.154 368 HG SER 50 HG SER 50 10.018 2.892 -4.114 369 HB2 SER 50 2HB SER 50 9.848 5.406 -3.052 370 HB3 SER 50 1HB SER 50 11.073 5.269 -4.311 371 H GLU 51 HN GLU 51 13.124 5.819 -3.095 372 HA GLU 51 HA GLU 51 13.717 6.425 -0.339 373 HB2 GLU 51 2HB GLU 51 15.328 8.070 -1.350 374 HB3 GLU 51 1HB GLU 51 15.595 6.391 -1.801 375 HG2 GLU 51 2HG GLU 51 14.395 6.832 -3.924 376 HG3 GLU 51 1HG GLU 51 14.301 8.534 -3.468 377 H LEU 52 HN LEU 52 12.937 8.048 0.814 378 HA LEU 52 HA LEU 52 10.838 9.665 -0.332 379 HG LEU 52 HG LEU 52 10.594 7.484 1.816 380 HB2 LEU 52 2HB LEU 52 11.914 9.441 2.480 381 HB3 LEU 52 1HB LEU 52 10.590 10.493 2.024 382 HD11 LEU 52 1HD1 LEU 52 8.928 7.602 3.605 383 HD12 LEU 52 2HD1 LEU 52 9.166 9.345 3.706 384 HD13 LEU 52 3HD1 LEU 52 10.485 8.250 4.116 385 HD21 LEU 52 3HD2 LEU 52 8.205 7.764 1.288 386 HD22 LEU 52 1HD2 LEU 52 9.255 8.466 0.059 387 HD23 LEU 52 2HD2 LEU 52 8.441 9.511 1.223 388 H THR 53 HN THR 53 11.081 11.632 -1.080 389 HA THR 53 HA THR 53 13.481 13.155 -0.304 390 HB THR 53 HB THR 53 13.410 14.178 -2.582 391 HG1 THR 53 1HG THR 53 11.197 12.498 -2.757 392 HG21 THR 53 3HG2 THR 53 13.703 11.168 -2.576 393 HG22 THR 53 1HG2 THR 53 14.947 12.319 -2.091 394 HG23 THR 53 2HG2 THR 53 14.392 12.276 -3.764 395 H GLU 54 HN GLU 54 13.050 15.565 -1.174 396 HA GLU 54 HA GLU 54 10.941 16.574 0.433 397 HB2 GLU 54 2HB GLU 54 11.699 18.747 -0.347 398 HB3 GLU 54 1HB GLU 54 13.067 17.745 0.089 399 HG2 GLU 54 2HG GLU 54 13.474 17.264 -2.269 400 HG3 GLU 54 1HG GLU 54 12.101 18.281 -2.707 401 H GLU 55 HN GLU 55 11.344 15.965 -2.980 402 HA GLU 55 HA GLU 55 8.937 17.481 -3.623 403 HB2 GLU 55 2HB GLU 55 9.664 17.215 -5.960 404 HB3 GLU 55 1HB GLU 55 10.897 17.959 -4.954 405 HG2 GLU 55 2HG GLU 55 12.035 15.785 -4.785 406 HG3 GLU 55 1HG GLU 55 10.821 15.088 -5.857 407 H SER 56 HN SER 56 9.659 14.304 -2.887 408 HA SER 56 HA SER 56 8.307 12.927 -4.946 409 HG SER 56 HG SER 56 8.808 12.735 -1.433 410 HB2 SER 56 2HB SER 56 8.173 11.117 -3.017 411 HB3 SER 56 1HB SER 56 9.691 11.488 -3.826 412 H LYS 57 HN LYS 57 6.290 13.039 -5.413 413 HA LYS 57 HA LYS 57 4.237 13.491 -3.409 414 HB2 LYS 57 2HB LYS 57 4.445 13.640 -6.325 415 HB3 LYS 57 1HB LYS 57 2.953 12.888 -5.782 416 HG2 LYS 57 2HG LYS 57 2.677 15.276 -6.134 417 HG3 LYS 57 1HG LYS 57 2.432 14.844 -4.442 418 HD2 LYS 57 2HD LYS 57 4.637 15.645 -3.874 419 HD3 LYS 57 1HD LYS 57 4.994 15.954 -5.576 420 HE2 LYS 57 2HE LYS 57 4.406 18.012 -4.391 421 HE3 LYS 57 1HE LYS 57 3.240 17.635 -5.656 422 HZ1 LYS 57 3HZ LYS 57 2.212 18.372 -3.560 423 HZ2 LYS 57 1HZ LYS 57 2.853 17.012 -2.780 424 HZ3 LYS 57 2HZ LYS 57 1.711 16.820 -4.020 425 H GLU 58 HN GLU 58 5.772 10.864 -5.015 426 HA GLU 58 HA GLU 58 3.743 9.044 -3.922 427 HB2 GLU 58 2HB GLU 58 3.803 7.645 -5.880 428 HB3 GLU 58 1HB GLU 58 3.396 9.281 -6.369 429 HG2 GLU 58 2HG GLU 58 6.258 8.606 -6.475 430 HG3 GLU 58 1HG GLU 58 5.224 7.730 -7.599 431 H LEU 59 HN LEU 59 4.489 6.899 -3.484 432 HA LEU 59 HA LEU 59 7.334 6.372 -3.774 433 HG LEU 59 HG LEU 59 5.481 4.844 -0.927 434 HB2 LEU 59 2HB LEU 59 7.748 5.782 -1.522 435 HB3 LEU 59 1HB LEU 59 7.029 7.373 -1.497 436 HD11 LEU 59 1HD1 LEU 59 6.754 6.774 1.009 437 HD12 LEU 59 2HD1 LEU 59 7.252 5.105 0.722 438 HD13 LEU 59 3HD1 LEU 59 5.675 5.445 1.435 439 HD21 LEU 59 3HD2 LEU 59 4.116 6.744 -1.628 440 HD22 LEU 59 1HD2 LEU 59 4.863 7.747 -0.384 441 HD23 LEU 59 2HD2 LEU 59 3.862 6.371 0.078 442 H THR 60 HN THR 60 7.795 4.247 -4.046 443 HA THR 60 HA THR 60 5.468 2.465 -4.237 444 HB THR 60 HB THR 60 8.183 2.201 -5.559 445 HG1 THR 60 1HG THR 60 5.629 2.912 -6.631 446 HG21 THR 60 3HG2 THR 60 5.653 0.582 -5.903 447 HG22 THR 60 1HG2 THR 60 7.152 0.021 -5.163 448 HG23 THR 60 2HG2 THR 60 7.112 0.419 -6.881 449 H ALA 61 HN ALA 61 5.217 1.056 -2.678 450 HA ALA 61 HA ALA 61 7.587 0.011 -1.280 451 HB1 ALA 61 1HB ALA 61 6.023 1.197 0.186 452 HB2 ALA 61 2HB ALA 61 6.086 -0.522 0.577 453 HB3 ALA 61 3HB ALA 61 4.720 0.127 -0.332 454 H ARG 62 HN ARG 62 8.077 -2.039 -1.655 455 HA ARG 62 HA ARG 62 6.101 -3.677 -3.092 456 HE ARG 62 HE ARG 62 7.783 -4.223 -6.496 457 HB2 ARG 62 2HB ARG 62 8.087 -3.194 -4.409 458 HB3 ARG 62 1HB ARG 62 9.124 -3.779 -3.115 459 HG2 ARG 62 2HG ARG 62 8.392 -6.018 -3.443 460 HG3 ARG 62 1HG ARG 62 7.126 -5.500 -4.561 461 HD2 ARG 62 2HD ARG 62 10.089 -5.145 -5.018 462 HD3 ARG 62 1HD ARG 62 9.112 -6.447 -5.700 463 HH11 ARG 62 1HH1 ARG 62 11.171 -5.128 -6.702 464 HH12 ARG 62 2HH1 ARG 62 11.414 -4.307 -8.213 465 HH21 ARG 62 1HH2 ARG 62 8.109 -3.164 -8.452 466 HH22 ARG 62 2HH2 ARG 62 9.677 -3.186 -9.210 467 H PHE 63 HN PHE 63 5.220 -5.247 -1.961 468 HA PHE 63 HA PHE 63 6.569 -6.137 0.494 469 HD1 PHE 63 2HD PHE 63 3.434 -3.899 -0.686 470 HD2 PHE 63 1HD PHE 63 4.966 -5.427 2.978 471 HE1 PHE 63 2HE PHE 63 3.089 -1.704 0.370 472 HE2 PHE 63 1HE PHE 63 4.622 -3.236 4.042 473 HZ PHE 63 HZ PHE 63 3.683 -1.369 2.738 474 HB2 PHE 63 2HB PHE 63 3.655 -6.286 -0.313 475 HB3 PHE 63 1HB PHE 63 4.312 -6.912 1.195 476 H LYS 64 HN LYS 64 7.683 -7.966 0.218 477 HA LYS 64 HA LYS 64 6.536 -10.102 -1.424 478 HB2 LYS 64 2HB LYS 64 8.907 -9.755 -1.780 479 HB3 LYS 64 1HB LYS 64 9.222 -9.859 -0.052 480 HG2 LYS 64 2HG LYS 64 8.208 -12.208 -0.212 481 HG3 LYS 64 1HG LYS 64 8.450 -12.037 -1.949 482 HD2 LYS 64 2HD LYS 64 10.798 -11.823 -1.689 483 HD3 LYS 64 1HD LYS 64 10.652 -11.640 0.062 484 HE2 LYS 64 2HE LYS 64 9.948 -14.118 -1.510 485 HE3 LYS 64 1HE LYS 64 11.422 -13.890 -0.569 486 HZ1 LYS 64 3HZ LYS 64 8.655 -13.880 0.531 487 HZ2 LYS 64 1HZ LYS 64 10.079 -13.697 1.432 488 HZ3 LYS 64 2HZ LYS 64 9.756 -15.164 0.649 489 H PHE 65 HN PHE 65 5.305 -11.563 -0.480 490 HA PHE 65 HA PHE 65 5.367 -11.836 2.425 491 HD1 PHE 65 1HD PHE 65 2.630 -11.100 3.389 492 HD2 PHE 65 2HD PHE 65 3.058 -10.952 -0.839 493 HE1 PHE 65 1HE PHE 65 1.448 -8.946 3.351 494 HE2 PHE 65 2HE PHE 65 1.877 -8.796 -0.885 495 HZ PHE 65 HZ PHE 65 1.068 -7.792 1.211 496 HB2 PHE 65 2HB PHE 65 3.454 -12.999 0.382 497 HB3 PHE 65 1HB PHE 65 3.260 -13.067 2.132 498 H GLU 66 HN GLU 66 4.704 -14.361 2.946 499 HA GLU 66 HA GLU 66 7.058 -15.823 2.011 500 HB2 GLU 66 2HB GLU 66 5.245 -16.036 4.377 501 HB3 GLU 66 1HB GLU 66 6.134 -17.457 3.853 502 HG2 GLU 66 2HG GLU 66 7.330 -14.801 4.603 503 HG3 GLU 66 1HG GLU 66 7.328 -16.263 5.593 504 H VAL 67 HN VAL 67 3.560 -16.016 2.147 505 HA VAL 67 HA VAL 67 3.718 -17.979 -0.042 506 HB VAL 67 HB VAL 67 1.616 -18.997 0.683 507 HG11 VAL 67 1HG1 VAL 67 3.654 -20.026 1.463 508 HG12 VAL 67 2HG1 VAL 67 2.419 -20.138 2.717 509 HG13 VAL 67 3HG1 VAL 67 3.709 -18.942 2.850 510 HG21 VAL 67 3HG2 VAL 67 0.681 -18.493 2.907 511 HG22 VAL 67 1HG2 VAL 67 0.580 -17.128 1.795 512 HG23 VAL 67 2HG2 VAL 67 1.815 -17.150 3.054 513 H SER 68 HN SER 68 2.069 -17.748 -1.661 514 HA SER 68 HA SER 68 1.588 -15.005 -2.198 515 HG SER 68 HG SER 68 2.493 -17.081 -4.928 516 HB2 SER 68 2HB SER 68 0.470 -17.353 -3.735 517 HB3 SER 68 1HB SER 68 0.813 -15.730 -4.328 518 H ALA 69 HN ALA 69 -0.150 -17.351 -0.516 519 HA ALA 69 HA ALA 69 -2.788 -16.386 -0.846 520 HB1 ALA 69 1HB ALA 69 -1.543 -17.731 1.556 521 HB2 ALA 69 2HB ALA 69 -2.302 -18.552 0.192 522 HB3 ALA 69 3HB ALA 69 -3.272 -17.537 1.260 523 H GLU 70 HN GLU 70 -0.162 -15.538 1.387 524 HA GLU 70 HA GLU 70 -1.522 -13.689 2.989 525 HB2 GLU 70 2HB GLU 70 1.384 -13.836 2.167 526 HB3 GLU 70 1HB GLU 70 0.779 -12.739 3.393 527 HG2 GLU 70 2HG GLU 70 0.100 -14.595 4.776 528 HG3 GLU 70 1HG GLU 70 0.575 -15.736 3.518 529 H LYS 71 HN LYS 71 0.040 -13.398 -0.127 530 HA LYS 71 HA LYS 71 -0.011 -10.626 -0.472 531 HB2 LYS 71 2HB LYS 71 1.017 -12.459 -1.961 532 HB3 LYS 71 1HB LYS 71 -0.576 -12.598 -2.674 533 HG2 LYS 71 2HG LYS 71 -0.506 -10.295 -3.391 534 HG3 LYS 71 1HG LYS 71 1.058 -10.074 -2.601 535 HD2 LYS 71 2HD LYS 71 1.544 -10.408 -4.882 536 HD3 LYS 71 1HD LYS 71 1.912 -11.939 -4.091 537 HE2 LYS 71 2HE LYS 71 0.756 -12.499 -6.070 538 HE3 LYS 71 1HE LYS 71 -0.416 -12.686 -4.766 539 HZ1 LYS 71 3HZ LYS 71 -1.368 -10.553 -5.319 540 HZ2 LYS 71 1HZ LYS 71 -1.336 -11.537 -6.705 541 HZ3 LYS 71 2HZ LYS 71 -0.195 -10.300 -6.522 542 H LEU 72 HN LEU 72 -2.295 -13.050 -1.616 543 HA LEU 72 HA LEU 72 -4.261 -11.375 -2.619 544 HG LEU 72 HG LEU 72 -3.025 -14.268 -3.119 545 HB2 LEU 72 2HB LEU 72 -4.664 -14.070 -1.310 546 HB3 LEU 72 1HB LEU 72 -5.785 -13.280 -2.403 547 HD11 LEU 72 1HD1 LEU 72 -4.243 -15.894 -4.488 548 HD12 LEU 72 2HD1 LEU 72 -5.765 -15.298 -3.825 549 HD13 LEU 72 3HD1 LEU 72 -4.588 -16.078 -2.768 550 HD21 LEU 72 3HD2 LEU 72 -3.652 -13.708 -5.418 551 HD22 LEU 72 1HD2 LEU 72 -3.621 -12.276 -4.389 552 HD23 LEU 72 2HD2 LEU 72 -5.164 -13.006 -4.836 553 H ILE 73 HN ILE 73 -3.950 -12.690 0.667 554 HA ILE 73 HA ILE 73 -6.337 -11.662 1.726 555 HB ILE 73 HB ILE 73 -3.698 -12.117 3.139 556 HG12 ILE 73 2HG1 ILE 73 -6.111 -13.931 2.944 557 HG13 ILE 73 1HG1 ILE 73 -4.663 -14.102 1.957 558 HG21 ILE 73 1HG2 ILE 73 -6.479 -11.841 4.272 559 HG22 ILE 73 2HG2 ILE 73 -5.154 -10.693 4.458 560 HG23 ILE 73 3HG2 ILE 73 -5.040 -12.295 5.186 561 HD11 ILE 73 3HD1 ILE 73 -4.827 -14.345 4.950 562 HD12 ILE 73 1HD1 ILE 73 -3.343 -14.447 4.001 563 HD13 ILE 73 2HD1 ILE 73 -4.609 -15.657 3.791 564 H PHE 74 HN PHE 74 -3.086 -10.236 1.596 565 HA PHE 74 HA PHE 74 -3.742 -7.852 2.965 566 HD1 PHE 74 2HD PHE 74 -1.821 -6.489 4.125 567 HD2 PHE 74 1HD PHE 74 -0.880 -6.418 -0.022 568 HE1 PHE 74 2HE PHE 74 -1.027 -4.172 4.349 569 HE2 PHE 74 1HE PHE 74 -0.084 -4.097 0.193 570 HZ PHE 74 HZ PHE 74 -0.160 -2.971 2.383 571 HB2 PHE 74 2HB PHE 74 -1.431 -8.608 2.689 572 HB3 PHE 74 1HB PHE 74 -1.551 -8.404 0.945 573 H GLU 75 HN GLU 75 -3.638 -8.679 -0.485 574 HA GLU 75 HA GLU 75 -4.317 -6.138 -1.471 575 HB2 GLU 75 2HB GLU 75 -4.813 -8.881 -2.640 576 HB3 GLU 75 1HB GLU 75 -5.040 -7.377 -3.519 577 HG2 GLU 75 2HG GLU 75 -2.667 -6.860 -3.233 578 HG3 GLU 75 1HG GLU 75 -2.446 -8.379 -2.368 579 H LEU 76 HN LEU 76 -6.314 -8.847 -0.411 580 HA LEU 76 HA LEU 76 -8.792 -7.854 -1.228 581 HG LEU 76 HG LEU 76 -7.826 -10.587 -1.460 582 HB2 LEU 76 2HB LEU 76 -7.872 -9.783 0.870 583 HB3 LEU 76 1HB LEU 76 -9.556 -9.392 0.697 584 HD11 LEU 76 1HD1 LEU 76 -9.984 -11.838 0.231 585 HD12 LEU 76 2HD1 LEU 76 -8.253 -12.152 0.363 586 HD13 LEU 76 3HD1 LEU 76 -9.128 -12.620 -1.098 587 HD21 LEU 76 3HD2 LEU 76 -9.921 -10.891 -2.680 588 HD22 LEU 76 1HD2 LEU 76 -9.609 -9.183 -2.367 589 HD23 LEU 76 2HD2 LEU 76 -10.796 -10.055 -1.397 590 H LYS 77 HN LYS 77 -7.012 -7.457 1.824 591 HA LYS 77 HA LYS 77 -9.124 -6.005 3.082 592 HB2 LYS 77 2HB LYS 77 -6.259 -6.538 3.783 593 HB3 LYS 77 1HB LYS 77 -7.185 -5.353 4.694 594 HG2 LYS 77 2HG LYS 77 -8.884 -7.132 5.126 595 HG3 LYS 77 1HG LYS 77 -7.776 -8.284 4.378 596 HD2 LYS 77 2HD LYS 77 -6.102 -7.825 6.061 597 HD3 LYS 77 1HD LYS 77 -7.115 -6.564 6.770 598 HE2 LYS 77 2HE LYS 77 -7.307 -8.562 8.098 599 HE3 LYS 77 1HE LYS 77 -8.832 -8.284 7.258 600 HZ1 LYS 77 3HZ LYS 77 -8.358 -10.567 7.051 601 HZ2 LYS 77 1HZ LYS 77 -6.743 -10.287 6.622 602 HZ3 LYS 77 2HZ LYS 77 -7.988 -9.896 5.536 603 H THR 78 HN THR 78 -6.243 -5.079 1.275 604 HA THR 78 HA THR 78 -6.406 -2.319 1.939 605 HB THR 78 HB THR 78 -4.938 -2.059 -0.162 606 HG1 THR 78 1HG THR 78 -4.513 -4.834 0.112 607 HG21 THR 78 3HG2 THR 78 -2.967 -2.931 1.021 608 HG22 THR 78 1HG2 THR 78 -4.026 -3.805 2.128 609 HG23 THR 78 2HG2 THR 78 -4.041 -2.042 2.103 610 H ARG 79 HN ARG 79 -7.738 -4.281 -0.686 611 HA ARG 79 HA ARG 79 -8.629 -2.276 -2.370 612 HE ARG 79 HE ARG 79 -7.414 -5.802 -5.448 613 HB2 ARG 79 2HB ARG 79 -9.664 -5.014 -1.709 614 HB3 ARG 79 1HB ARG 79 -10.501 -3.985 -2.849 615 HG2 ARG 79 2HG ARG 79 -8.458 -3.848 -4.201 616 HG3 ARG 79 1HG ARG 79 -7.662 -4.937 -3.068 617 HD2 ARG 79 2HD ARG 79 -9.235 -6.696 -3.600 618 HD3 ARG 79 1HD ARG 79 -10.145 -5.605 -4.646 619 HH11 ARG 79 1HH1 ARG 79 -10.496 -7.483 -5.608 620 HH12 ARG 79 2HH1 ARG 79 -10.089 -8.300 -7.093 621 HH21 ARG 79 1HH2 ARG 79 -6.911 -6.861 -7.371 622 HH22 ARG 79 2HH2 ARG 79 -8.062 -7.948 -8.092 623 H SER 80 HN SER 80 -10.189 -3.650 0.492 624 HA SER 80 HA SER 80 -12.539 -2.071 0.151 625 HG SER 80 HG SER 80 -11.921 -5.267 0.988 626 HB2 SER 80 2HB SER 80 -11.646 -3.782 2.479 627 HB3 SER 80 1HB SER 80 -13.272 -3.174 2.198 628 H LEU 81 HN LEU 81 -9.516 -1.590 1.661 629 HA LEU 81 HA LEU 81 -10.565 0.345 3.564 630 HG LEU 81 HG LEU 81 -7.390 1.286 3.524 631 HB2 LEU 81 2HB LEU 81 -9.003 -0.995 4.608 632 HB3 LEU 81 1HB LEU 81 -7.991 -1.112 3.184 633 HD11 LEU 81 1HD1 LEU 81 -9.241 1.966 4.943 634 HD12 LEU 81 2HD1 LEU 81 -7.710 2.223 5.782 635 HD13 LEU 81 3HD1 LEU 81 -8.720 0.837 6.195 636 HD21 LEU 81 3HD2 LEU 81 -5.869 -0.496 4.136 637 HD22 LEU 81 1HD2 LEU 81 -6.666 -0.672 5.699 638 HD23 LEU 81 2HD2 LEU 81 -5.779 0.804 5.324 639 H ALA 82 HN ALA 82 -8.598 0.137 0.672 640 HA ALA 82 HA ALA 82 -7.927 2.986 0.909 641 HB1 ALA 82 1HB ALA 82 -6.126 2.555 -0.662 642 HB2 ALA 82 2HB ALA 82 -6.674 0.889 -0.850 643 HB3 ALA 82 3HB ALA 82 -6.042 1.440 0.702 644 H ARG 83 HN ARG 83 -10.407 1.574 -0.247 645 HA ARG 83 HA ARG 83 -10.457 2.662 -2.940 646 HE ARG 83 HE ARG 83 -14.394 0.287 -5.491 647 HB2 ARG 83 2HB ARG 83 -11.711 0.548 -2.150 648 HB3 ARG 83 1HB ARG 83 -12.834 1.653 -1.372 649 HG2 ARG 83 2HG ARG 83 -13.152 2.720 -3.647 650 HG3 ARG 83 1HG ARG 83 -12.279 1.335 -4.307 651 HD2 ARG 83 2HD ARG 83 -13.945 -0.143 -3.173 652 HD3 ARG 83 1HD ARG 83 -14.862 1.304 -2.758 653 HH11 ARG 83 1HH1 ARG 83 -16.171 2.369 -3.292 654 HH12 ARG 83 2HH1 ARG 83 -17.474 2.644 -4.407 655 HH21 ARG 83 1HH2 ARG 83 -16.114 0.633 -6.941 656 HH22 ARG 83 2HH2 ARG 83 -17.435 1.675 -6.491 657 H LEU 84 HN LEU 84 -12.214 4.262 -3.498 658 HA LEU 84 HA LEU 84 -12.260 6.421 -1.599 659 HG LEU 84 HG LEU 84 -11.152 6.352 -4.467 660 HB2 LEU 84 2HB LEU 84 -13.588 6.087 -4.283 661 HB3 LEU 84 1HB LEU 84 -13.679 7.546 -3.319 662 HD11 LEU 84 1HD1 LEU 84 -12.580 7.359 -6.163 663 HD12 LEU 84 2HD1 LEU 84 -11.133 8.333 -5.892 664 HD13 LEU 84 3HD1 LEU 84 -12.680 8.842 -5.212 665 HD21 LEU 84 3HD2 LEU 84 -11.578 8.900 -2.906 666 HD22 LEU 84 1HD2 LEU 84 -10.074 8.403 -3.677 667 HD23 LEU 84 2HD2 LEU 84 -10.732 7.461 -2.338 668 H GLU 85 HN GLU 85 -13.312 4.448 -0.303 669 HA GLU 85 HA GLU 85 -15.018 3.815 1.038 670 HB2 GLU 85 2HB GLU 85 -16.507 6.149 -0.171 671 HB3 GLU 85 1HB GLU 85 -17.008 5.239 1.245 672 HG2 GLU 85 2HG GLU 85 -15.141 6.041 2.501 673 HG3 GLU 85 1HG GLU 85 -14.443 6.800 1.067 674 H HIS 86 HN HIS 86 -17.193 2.861 1.009 675 HA HIS 86 HA HIS 86 -18.229 2.348 -1.701 676 HD1 HIS 86 1HD HIS 86 -18.868 -1.217 -2.072 677 HD2 HIS 86 2HD HIS 86 -15.689 0.304 0.147 678 HE1 HIS 86 1HE HIS 86 -16.865 -2.597 -2.716 679 HE2 HIS 86 2HE HIS 86 -14.978 -1.734 -1.293 680 HB2 HIS 86 2HB HIS 86 -18.543 0.803 0.887 681 HB3 HIS 86 1HB HIS 86 -19.603 0.542 -0.493 682 H HIS 87 HN HIS 87 -19.195 4.389 -1.819 683 HA HIS 87 HA HIS 87 -20.437 5.549 0.468 684 HD1 HIS 87 1HD HIS 87 -21.851 8.714 -2.440 685 HD2 HIS 87 2HD HIS 87 -20.273 7.934 1.328 686 HE1 HIS 87 1HE HIS 87 -22.581 10.632 -0.989 687 HE2 HIS 87 2HE HIS 87 -21.414 10.254 1.211 688 HB2 HIS 87 2HB HIS 87 -19.212 6.770 -1.400 689 HB3 HIS 87 1HB HIS 87 -20.665 6.546 -2.367 690 H HIS 88 HN HIS 88 -22.180 4.429 1.142 691 HA HIS 88 HA HIS 88 -24.335 3.839 -0.721 692 HD1 HIS 88 1HD HIS 88 -22.452 3.734 3.195 693 HD2 HIS 88 2HD HIS 88 -26.592 3.308 3.230 694 HE1 HIS 88 1HE HIS 88 -23.174 4.287 5.540 695 HE2 HIS 88 2HE HIS 88 -25.673 3.957 5.560 696 HB2 HIS 88 2HB HIS 88 -25.300 2.518 0.977 697 HB3 HIS 88 1HB HIS 88 -23.571 2.267 1.167 698 H HIS 89 HN HIS 89 -26.417 4.739 -0.575 699 HA HIS 89 HA HIS 89 -26.444 7.344 0.778 700 HD1 HIS 89 1HD HIS 89 -30.334 7.941 -0.828 701 HD2 HIS 89 2HD HIS 89 -26.657 9.887 -0.671 702 HE1 HIS 89 1HE HIS 89 -30.866 10.391 -0.545 703 HE2 HIS 89 2HE HIS 89 -28.625 11.553 -0.512 704 HB2 HIS 89 2HB HIS 89 -26.883 7.170 -1.726 705 HB3 HIS 89 1HB HIS 89 -28.413 6.405 -1.303 706 H HIS 90 HN HIS 90 -28.192 4.296 0.509 707 HA HIS 90 HA HIS 90 -29.351 4.772 3.112 708 HD1 HIS 90 1HD HIS 90 -31.887 6.392 3.802 709 HD2 HIS 90 2HD HIS 90 -32.858 2.585 2.424 710 HE1 HIS 90 1HE HIS 90 -33.700 5.551 5.336 711 HE2 HIS 90 2HE HIS 90 -34.278 3.248 4.487 712 HB2 HIS 90 2HB HIS 90 -30.953 5.838 1.452 713 HB3 HIS 90 1HB HIS 90 -31.242 4.221 0.820 714 H HIS 91 HN HIS 91 -29.659 2.898 4.193 715 HA HIS 91 HA HIS 91 -29.003 0.433 2.754 716 HD1 HIS 91 1HD HIS 91 -27.434 -1.612 3.553 717 HD2 HIS 91 2HD HIS 91 -29.664 -1.213 7.041 718 HE1 HIS 91 1HE HIS 91 -27.575 -3.926 4.539 719 HE2 HIS 91 2HE HIS 91 -29.008 -3.674 6.598 720 HB2 HIS 91 2HB HIS 91 -27.642 0.920 4.720 721 HB3 HIS 91 1HB HIS 91 -29.084 1.063 5.716 Start of MODEL 4 1 HA ALA 1 HA ALA 1 4.821 0.432 -17.651 2 H1 ALA 1 1HT ALA 1 4.280 1.426 -19.771 3 H2 ALA 1 2HT ALA 1 4.669 -0.017 -20.572 4 H3 ALA 1 3HT ALA 1 5.876 0.851 -19.750 5 HB1 ALA 1 2HB ALA 1 2.852 -1.214 -19.235 6 HB2 ALA 1 3HB ALA 1 2.513 0.349 -18.492 7 HB3 ALA 1 1HB ALA 1 2.904 -1.042 -17.482 8 H GLY 2 HN GLY 2 6.639 -0.593 -17.087 9 HA2 GLY 2 2HA GLY 2 6.976 -3.365 -18.059 10 HA3 GLY 2 1HA GLY 2 8.307 -2.331 -17.553 11 H GLU 3 HN GLU 3 9.130 -3.155 -15.753 12 HA GLU 3 HA GLU 3 7.274 -3.579 -13.514 13 HB2 GLU 3 2HB GLU 3 8.181 -5.748 -14.570 14 HB3 GLU 3 1HB GLU 3 9.738 -5.275 -13.900 15 HG2 GLU 3 2HG GLU 3 8.847 -5.332 -11.666 16 HG3 GLU 3 1HG GLU 3 7.227 -5.650 -12.284 17 H ILE 4 HN ILE 4 7.980 -2.728 -11.577 18 HA ILE 4 HA ILE 4 9.795 -0.575 -11.806 19 HB ILE 4 HB ILE 4 8.980 -1.699 -9.148 20 HG12 ILE 4 2HG1 ILE 4 6.951 -1.700 -10.533 21 HG13 ILE 4 1HG1 ILE 4 6.866 -0.449 -9.299 22 HG21 ILE 4 1HG2 ILE 4 9.381 1.112 -10.151 23 HG22 ILE 4 2HG2 ILE 4 10.500 0.193 -9.142 24 HG23 ILE 4 3HG2 ILE 4 8.923 0.666 -8.507 25 HD11 ILE 4 3HD1 ILE 4 7.550 -0.025 -12.199 26 HD12 ILE 4 1HD1 ILE 4 7.457 1.234 -10.967 27 HD13 ILE 4 2HD1 ILE 4 6.006 0.342 -11.428 28 H GLY 5 HN GLY 5 11.725 -0.223 -10.563 29 HA2 GLY 5 2HA GLY 5 13.390 -2.634 -10.690 30 HA3 GLY 5 1HA GLY 5 13.958 -0.988 -10.879 31 H PHE 6 HN PHE 6 12.377 -3.034 -8.505 32 HA PHE 6 HA PHE 6 13.945 -1.760 -6.387 33 HD1 PHE 6 2HD PHE 6 12.963 -0.773 -4.307 34 HD2 PHE 6 1HD PHE 6 9.758 -2.069 -6.790 35 HE1 PHE 6 2HE PHE 6 11.766 1.328 -3.849 36 HE2 PHE 6 1HE PHE 6 8.560 0.029 -6.341 37 HZ PHE 6 HZ PHE 6 9.562 1.731 -4.871 38 HB2 PHE 6 2HB PHE 6 11.500 -3.513 -6.351 39 HB3 PHE 6 1HB PHE 6 12.461 -3.268 -4.898 40 H ILE 7 HN ILE 7 14.531 -3.508 -4.592 41 HA ILE 7 HA ILE 7 16.446 -5.267 -5.730 42 HB ILE 7 HB ILE 7 15.337 -5.288 -2.914 43 HG12 ILE 7 2HG1 ILE 7 17.803 -3.898 -3.993 44 HG13 ILE 7 1HG1 ILE 7 16.292 -3.091 -3.582 45 HG21 ILE 7 1HG2 ILE 7 17.481 -6.376 -2.353 46 HG22 ILE 7 2HG2 ILE 7 17.872 -6.439 -4.071 47 HG23 ILE 7 3HG2 ILE 7 16.492 -7.342 -3.446 48 HD11 ILE 7 3HD1 ILE 7 17.968 -2.839 -1.829 49 HD12 ILE 7 1HD1 ILE 7 18.056 -4.594 -1.662 50 HD13 ILE 7 2HD1 ILE 7 16.564 -3.744 -1.257 51 H ILE 8 HN ILE 8 13.413 -5.876 -3.960 52 HA ILE 8 HA ILE 8 13.296 -8.576 -5.040 53 HB ILE 8 HB ILE 8 11.440 -7.100 -3.168 54 HG12 ILE 8 2HG1 ILE 8 13.394 -9.361 -2.711 55 HG13 ILE 8 1HG1 ILE 8 13.632 -7.688 -2.220 56 HG21 ILE 8 1HG2 ILE 8 11.331 -9.968 -4.093 57 HG22 ILE 8 2HG2 ILE 8 10.169 -8.701 -4.486 58 HG23 ILE 8 3HG2 ILE 8 10.332 -9.264 -2.823 59 HD11 ILE 8 3HD1 ILE 8 11.746 -7.858 -0.696 60 HD12 ILE 8 1HD1 ILE 8 12.962 -9.086 -0.348 61 HD13 ILE 8 2HD1 ILE 8 11.481 -9.527 -1.198 62 H LYS 9 HN LYS 9 12.212 -9.099 -6.802 63 HA LYS 9 HA LYS 9 10.657 -7.011 -8.128 64 HB2 LYS 9 2HB LYS 9 11.884 -9.582 -9.109 65 HB3 LYS 9 1HB LYS 9 10.838 -8.579 -10.100 66 HG2 LYS 9 2HG LYS 9 12.386 -6.712 -9.882 67 HG3 LYS 9 1HG LYS 9 13.427 -7.691 -8.848 68 HD2 LYS 9 2HD LYS 9 12.737 -8.330 -11.715 69 HD3 LYS 9 1HD LYS 9 14.232 -7.561 -11.181 70 HE2 LYS 9 2HE LYS 9 14.707 -9.557 -9.792 71 HE3 LYS 9 1HE LYS 9 13.262 -10.322 -10.451 72 HZ1 LYS 9 3HZ LYS 9 15.164 -11.076 -11.662 73 HZ2 LYS 9 1HZ LYS 9 15.683 -9.489 -11.959 74 HZ3 LYS 9 2HZ LYS 9 14.263 -10.064 -12.681 75 H GLU 10 HN GLU 10 8.918 -8.266 -9.692 76 HA GLU 10 HA GLU 10 6.825 -8.815 -7.875 77 HB2 GLU 10 2HB GLU 10 7.160 -8.569 -10.780 78 HB3 GLU 10 1HB GLU 10 5.840 -9.609 -10.276 79 HG2 GLU 10 2HG GLU 10 6.193 -6.837 -9.194 80 HG3 GLU 10 1HG GLU 10 5.305 -7.170 -10.683 81 H GLY 11 HN GLY 11 5.337 -10.700 -8.191 82 HA2 GLY 11 2HA GLY 11 6.043 -13.192 -9.102 83 HA3 GLY 11 1HA GLY 11 6.755 -13.065 -7.499 84 H ASP 12 HN ASP 12 5.048 -14.993 -7.609 85 HA ASP 12 HA ASP 12 2.315 -14.208 -7.266 86 HB2 ASP 12 2HB ASP 12 1.966 -16.603 -6.604 87 HB3 ASP 12 1HB ASP 12 2.693 -16.371 -8.189 88 H GLU 13 HN GLU 13 5.002 -14.410 -5.183 89 HA GLU 13 HA GLU 13 3.274 -14.309 -2.805 90 HB2 GLU 13 2HB GLU 13 6.290 -14.494 -3.008 91 HB3 GLU 13 1HB GLU 13 5.365 -14.510 -1.513 92 HG2 GLU 13 2HG GLU 13 4.377 -16.609 -2.073 93 HG3 GLU 13 1HG GLU 13 5.103 -16.578 -3.680 94 H VAL 14 HN VAL 14 4.241 -12.239 -5.030 95 HA VAL 14 HA VAL 14 5.135 -10.144 -3.165 96 HB VAL 14 HB VAL 14 5.610 -10.326 -6.147 97 HG11 VAL 14 1HG1 VAL 14 6.664 -8.360 -4.118 98 HG12 VAL 14 2HG1 VAL 14 5.463 -8.018 -5.363 99 HG13 VAL 14 3HG1 VAL 14 7.116 -8.429 -5.822 100 HG21 VAL 14 3HG2 VAL 14 7.942 -10.742 -5.562 101 HG22 VAL 14 1HG2 VAL 14 6.890 -11.995 -4.906 102 HG23 VAL 14 2HG2 VAL 14 7.521 -10.733 -3.850 103 H ALA 15 HN ALA 15 4.023 -8.309 -2.990 104 HA ALA 15 HA ALA 15 1.987 -7.673 -5.011 105 HB1 ALA 15 1HB ALA 15 0.486 -6.874 -3.243 106 HB2 ALA 15 2HB ALA 15 1.632 -7.426 -2.022 107 HB3 ALA 15 3HB ALA 15 0.831 -8.592 -3.069 108 H ASP 16 HN ASP 16 2.726 -5.897 -5.964 109 HA ASP 16 HA ASP 16 4.273 -3.969 -4.403 110 HB2 ASP 16 2HB ASP 16 5.204 -4.793 -6.534 111 HB3 ASP 16 1HB ASP 16 3.835 -4.098 -7.386 112 H VAL 17 HN VAL 17 3.646 -1.961 -4.037 113 HA VAL 17 HA VAL 17 1.092 -1.025 -5.124 114 HB VAL 17 HB VAL 17 0.634 -2.262 -3.015 115 HG11 VAL 17 1HG1 VAL 17 2.666 -1.761 -1.797 116 HG12 VAL 17 2HG1 VAL 17 1.250 -1.261 -0.872 117 HG13 VAL 17 3HG1 VAL 17 2.218 -0.056 -1.723 118 HG21 VAL 17 3HG2 VAL 17 0.040 0.688 -2.982 119 HG22 VAL 17 1HG2 VAL 17 -0.784 -0.521 -1.995 120 HG23 VAL 17 2HG2 VAL 17 -0.920 -0.576 -3.752 121 H THR 18 HN THR 18 0.723 1.193 -4.865 122 HA THR 18 HA THR 18 3.030 2.802 -4.029 123 HB THR 18 HB THR 18 1.482 3.275 -6.588 124 HG1 THR 18 1HG THR 18 4.202 2.496 -6.458 125 HG21 THR 18 3HG2 THR 18 2.410 5.311 -5.545 126 HG22 THR 18 1HG2 THR 18 3.213 4.929 -7.068 127 HG23 THR 18 2HG2 THR 18 4.007 4.563 -5.536 128 H ILE 19 HN ILE 19 2.425 4.411 -2.707 129 HA ILE 19 HA ILE 19 -0.446 5.001 -2.470 130 HB ILE 19 HB ILE 19 1.745 5.920 -0.607 131 HG12 ILE 19 2HG1 ILE 19 -0.017 3.474 -0.318 132 HG13 ILE 19 1HG1 ILE 19 1.690 3.433 -0.748 133 HG21 ILE 19 1HG2 ILE 19 -0.334 7.170 -0.457 134 HG22 ILE 19 2HG2 ILE 19 -0.091 6.196 0.991 135 HG23 ILE 19 3HG2 ILE 19 -1.237 5.671 -0.241 136 HD11 ILE 19 3HD1 ILE 19 2.253 4.422 1.412 137 HD12 ILE 19 1HD1 ILE 19 1.361 2.912 1.599 138 HD13 ILE 19 2HD1 ILE 19 0.542 4.455 1.842 139 H PHE 20 HN PHE 20 -1.236 7.093 -2.680 140 HA PHE 20 HA PHE 20 0.653 9.092 -3.716 141 HD1 PHE 20 1HD PHE 20 0.987 9.109 -6.574 142 HD2 PHE 20 2HD PHE 20 -2.076 6.371 -5.481 143 HE1 PHE 20 1HE PHE 20 1.819 7.519 -8.254 144 HE2 PHE 20 2HE PHE 20 -1.248 4.770 -7.158 145 HZ PHE 20 HZ PHE 20 0.700 5.342 -8.550 146 HB2 PHE 20 2HB PHE 20 -2.152 8.616 -4.726 147 HB3 PHE 20 1HB PHE 20 -1.026 9.818 -5.321 148 H ALA 21 HN ALA 21 0.392 11.115 -3.008 149 HA ALA 21 HA ALA 21 -2.014 12.264 -2.114 150 HB1 ALA 21 1HB ALA 21 -0.083 11.701 0.135 151 HB2 ALA 21 2HB ALA 21 -1.575 10.804 -0.133 152 HB3 ALA 21 3HB ALA 21 -1.636 12.526 0.239 153 H GLU 22 HN GLU 22 -1.658 14.514 -1.416 154 HA GLU 22 HA GLU 22 0.405 15.604 -3.057 155 HB2 GLU 22 2HB GLU 22 -1.584 16.948 -1.235 156 HB3 GLU 22 1HB GLU 22 -0.516 17.794 -2.349 157 HG2 GLU 22 2HG GLU 22 -2.699 15.850 -3.051 158 HG3 GLU 22 1HG GLU 22 -2.675 17.586 -3.349 159 H THR 23 HN THR 23 0.175 14.913 0.339 160 HA THR 23 HA THR 23 2.651 16.452 0.728 161 HB THR 23 HB THR 23 2.076 16.310 3.195 162 HG1 THR 23 1HG THR 23 -0.458 15.576 2.086 163 HG21 THR 23 3HG2 THR 23 1.837 18.383 1.950 164 HG22 THR 23 1HG2 THR 23 0.496 18.206 3.084 165 HG23 THR 23 2HG2 THR 23 0.252 17.877 1.368 166 H LYS 24 HN LYS 24 4.407 15.469 1.568 167 HA LYS 24 HA LYS 24 4.711 12.676 1.286 168 HB2 LYS 24 2HB LYS 24 6.574 14.293 1.142 169 HB3 LYS 24 1HB LYS 24 6.416 14.623 2.856 170 HG2 LYS 24 2HG LYS 24 7.034 12.330 3.379 171 HG3 LYS 24 1HG LYS 24 7.144 11.956 1.657 172 HD2 LYS 24 2HD LYS 24 9.357 12.361 2.583 173 HD3 LYS 24 1HD LYS 24 8.936 13.618 1.421 174 HE2 LYS 24 2HE LYS 24 9.897 14.763 3.227 175 HE3 LYS 24 1HE LYS 24 8.160 14.985 3.422 176 HZ1 LYS 24 3HZ LYS 24 8.266 13.015 4.983 177 HZ2 LYS 24 1HZ LYS 24 8.987 14.451 5.531 178 HZ3 LYS 24 2HZ LYS 24 9.953 13.198 4.946 179 H ASP 25 HN ASP 25 4.014 14.761 3.984 180 HA ASP 25 HA ASP 25 4.264 12.921 6.085 181 HB2 ASP 25 2HB ASP 25 3.907 15.386 6.339 182 HB3 ASP 25 1HB ASP 25 2.224 15.146 5.881 183 H ALA 26 HN ALA 26 1.573 13.558 3.858 184 HA ALA 26 HA ALA 26 -0.258 11.800 5.149 185 HB1 ALA 26 1HB ALA 26 -1.556 11.929 3.083 186 HB2 ALA 26 2HB ALA 26 -0.193 12.686 2.262 187 HB3 ALA 26 3HB ALA 26 -1.005 13.527 3.580 188 H LEU 27 HN LEU 27 2.069 11.413 2.530 189 HA LEU 27 HA LEU 27 1.638 8.753 1.859 190 HG LEU 27 HG LEU 27 2.917 8.855 -0.372 191 HB2 LEU 27 2HB LEU 27 4.006 10.566 1.863 192 HB3 LEU 27 1HB LEU 27 4.294 8.858 1.646 193 HD11 LEU 27 1HD1 LEU 27 2.085 10.938 -1.313 194 HD12 LEU 27 2HD1 LEU 27 2.611 11.807 0.130 195 HD13 LEU 27 3HD1 LEU 27 1.337 10.592 0.245 196 HD21 LEU 27 3HD2 LEU 27 5.296 9.313 -0.572 197 HD22 LEU 27 1HD2 LEU 27 4.999 11.036 -0.335 198 HD23 LEU 27 2HD2 LEU 27 4.384 10.224 -1.774 199 H GLU 28 HN GLU 28 3.877 10.084 4.265 200 HA GLU 28 HA GLU 28 4.799 7.631 5.232 201 HB2 GLU 28 2HB GLU 28 4.719 10.375 6.480 202 HB3 GLU 28 1HB GLU 28 5.598 9.018 7.154 203 HG2 GLU 28 2HG GLU 28 6.907 8.873 5.062 204 HG3 GLU 28 1HG GLU 28 6.074 10.313 4.486 205 H SER 29 HN SER 29 2.141 9.703 6.336 206 HA SER 29 HA SER 29 1.643 8.292 8.721 207 HG SER 29 HG SER 29 1.294 11.373 7.716 208 HB2 SER 29 2HB SER 29 -0.221 10.002 7.061 209 HB3 SER 29 1HB SER 29 -0.515 9.487 8.718 210 H GLU 30 HN GLU 30 0.231 7.994 5.469 211 HA GLU 30 HA GLU 30 -1.571 5.914 6.285 212 HB2 GLU 30 2HB GLU 30 -1.735 7.566 4.261 213 HB3 GLU 30 1HB GLU 30 -0.768 6.357 3.433 214 HG2 GLU 30 2HG GLU 30 -2.432 4.668 3.858 215 HG3 GLU 30 1HG GLU 30 -3.395 5.808 4.790 216 H LEU 31 HN LEU 31 1.588 6.101 4.792 217 HA LEU 31 HA LEU 31 2.047 3.482 4.034 218 HG LEU 31 HG LEU 31 4.815 2.936 5.064 219 HB2 LEU 31 2HB LEU 31 3.631 5.388 3.769 220 HB3 LEU 31 1HB LEU 31 4.010 5.265 5.470 221 HD11 LEU 31 1HD1 LEU 31 4.500 3.703 2.170 222 HD12 LEU 31 2HD1 LEU 31 3.597 2.452 3.025 223 HD13 LEU 31 3HD1 LEU 31 5.333 2.269 2.769 224 HD21 LEU 31 3HD2 LEU 31 6.171 5.166 3.563 225 HD22 LEU 31 1HD2 LEU 31 6.928 3.631 3.989 226 HD23 LEU 31 2HD2 LEU 31 6.399 4.736 5.257 227 H ALA 32 HN ALA 32 2.523 4.953 7.206 228 HA ALA 32 HA ALA 32 3.442 2.742 8.610 229 HB1 ALA 32 1HB ALA 32 2.640 3.862 10.629 230 HB2 ALA 32 2HB ALA 32 1.672 4.957 9.642 231 HB3 ALA 32 3HB ALA 32 3.433 4.995 9.537 232 H LYS 33 HN LYS 33 0.127 3.616 7.773 233 HA LYS 33 HA LYS 33 -1.185 1.672 9.338 234 HB2 LYS 33 2HB LYS 33 -2.021 2.902 6.706 235 HB3 LYS 33 1HB LYS 33 -3.074 2.058 7.818 236 HG2 LYS 33 2HG LYS 33 -1.631 4.625 8.416 237 HG3 LYS 33 1HG LYS 33 -3.323 4.490 7.941 238 HD2 LYS 33 2HD LYS 33 -3.673 3.041 9.958 239 HD3 LYS 33 1HD LYS 33 -2.029 3.449 10.453 240 HE2 LYS 33 2HE LYS 33 -2.654 5.842 10.405 241 HE3 LYS 33 1HE LYS 33 -4.311 5.375 10.028 242 HZ1 LYS 33 3HZ LYS 33 -4.204 4.035 12.160 243 HZ2 LYS 33 1HZ LYS 33 -4.262 5.722 12.324 244 HZ3 LYS 33 2HZ LYS 33 -2.795 4.899 12.524 245 H TYR 34 HN TYR 34 0.013 1.691 6.022 246 HA TYR 34 HA TYR 34 -0.933 -0.873 5.298 247 HD1 TYR 34 2HD TYR 34 -1.386 1.977 4.799 248 HD2 TYR 34 1HD TYR 34 -0.067 -0.204 1.396 249 HE1 TYR 34 2HE TYR 34 -3.113 3.066 3.438 250 HE2 TYR 34 1HE TYR 34 -1.794 0.883 0.024 251 HH TYR 34 HH TYR 34 -3.449 3.627 1.015 252 HB2 TYR 34 2HB TYR 34 1.272 0.853 4.171 253 HB3 TYR 34 1HB TYR 34 0.845 -0.707 3.480 254 H ILE 35 HN ILE 35 2.087 0.256 6.711 255 HA ILE 35 HA ILE 35 3.502 -2.173 6.559 256 HB ILE 35 HB ILE 35 3.764 0.051 8.592 257 HG12 ILE 35 2HG1 ILE 35 5.306 -0.505 6.044 258 HG13 ILE 35 1HG1 ILE 35 4.089 0.749 6.238 259 HG21 ILE 35 1HG2 ILE 35 4.766 -2.011 9.406 260 HG22 ILE 35 2HG2 ILE 35 6.015 -0.837 8.991 261 HG23 ILE 35 3HG2 ILE 35 5.671 -2.183 7.902 262 HD11 ILE 35 3HD1 ILE 35 6.689 0.598 7.742 263 HD12 ILE 35 1HD1 ILE 35 5.478 1.875 7.875 264 HD13 ILE 35 2HD1 ILE 35 6.352 1.641 6.360 265 H GLU 36 HN GLU 36 1.345 -0.849 9.047 266 HA GLU 36 HA GLU 36 1.609 -2.930 10.905 267 HB2 GLU 36 2HB GLU 36 0.435 -0.544 10.931 268 HB3 GLU 36 1HB GLU 36 -0.983 -1.506 10.548 269 HG2 GLU 36 2HG GLU 36 0.788 -2.054 12.905 270 HG3 GLU 36 1HG GLU 36 -0.599 -0.977 12.958 271 H LEU 37 HN LEU 37 -0.678 -2.404 8.251 272 HA LEU 37 HA LEU 37 -2.156 -4.776 8.577 273 HG LEU 37 HG LEU 37 -3.010 -2.010 7.907 274 HB2 LEU 37 2HB LEU 37 -1.620 -3.089 6.135 275 HB3 LEU 37 1HB LEU 37 -2.730 -4.446 6.145 276 HD11 LEU 37 1HD1 LEU 37 -3.287 -1.413 5.568 277 HD12 LEU 37 2HD1 LEU 37 -4.843 -1.395 6.399 278 HD13 LEU 37 3HD1 LEU 37 -4.420 -2.745 5.347 279 HD21 LEU 37 3HD2 LEU 37 -4.909 -4.279 7.308 280 HD22 LEU 37 1HD2 LEU 37 -5.244 -2.881 8.328 281 HD23 LEU 37 2HD2 LEU 37 -4.022 -4.054 8.815 282 H ALA 38 HN ALA 38 0.885 -4.105 6.986 283 HA ALA 38 HA ALA 38 1.056 -6.506 5.486 284 HB1 ALA 38 1HB ALA 38 3.305 -4.772 6.509 285 HB2 ALA 38 2HB ALA 38 2.438 -4.540 4.991 286 HB3 ALA 38 3HB ALA 38 3.418 -5.985 5.233 287 H LYS 39 HN LYS 39 2.371 -5.569 8.657 288 HA LYS 39 HA LYS 39 3.497 -8.124 9.199 289 HB2 LYS 39 2HB LYS 39 2.788 -5.808 10.995 290 HB3 LYS 39 1HB LYS 39 3.613 -7.256 11.550 291 HG2 LYS 39 2HG LYS 39 5.477 -6.816 10.096 292 HG3 LYS 39 1HG LYS 39 4.640 -5.432 9.392 293 HD2 LYS 39 2HD LYS 39 4.741 -4.234 11.457 294 HD3 LYS 39 1HD LYS 39 5.332 -5.658 12.314 295 HE2 LYS 39 2HE LYS 39 6.823 -4.298 10.076 296 HE3 LYS 39 1HE LYS 39 7.081 -3.963 11.785 297 HZ1 LYS 39 3HZ LYS 39 7.633 -6.324 12.092 298 HZ2 LYS 39 1HZ LYS 39 8.699 -5.539 11.028 299 HZ3 LYS 39 2HZ LYS 39 7.497 -6.569 10.418 300 H SER 40 HN SER 40 0.370 -6.710 9.614 301 HA SER 40 HA SER 40 -0.722 -8.587 11.416 302 HG SER 40 HG SER 40 -3.234 -8.782 10.610 303 HB2 SER 40 2HB SER 40 -1.759 -6.387 10.834 304 HB3 SER 40 1HB SER 40 -2.155 -7.031 9.241 305 H VAL 41 HN VAL 41 -0.485 -8.471 7.889 306 HA VAL 41 HA VAL 41 -1.868 -10.975 7.548 307 HB VAL 41 HB VAL 41 -0.226 -9.397 5.555 308 HG11 VAL 41 1HG1 VAL 41 -2.175 -11.658 5.121 309 HG12 VAL 41 2HG1 VAL 41 -0.425 -11.743 4.927 310 HG13 VAL 41 3HG1 VAL 41 -1.382 -10.723 3.853 311 HG21 VAL 41 3HG2 VAL 41 -2.141 -8.132 6.349 312 HG22 VAL 41 1HG2 VAL 41 -3.207 -9.494 6.006 313 HG23 VAL 41 2HG2 VAL 41 -2.396 -8.654 4.684 314 H CYS 42 HN CYS 42 1.514 -9.886 7.170 315 HA CYS 42 HA CYS 42 2.329 -12.698 7.437 316 HG CYS 42 HG CYS 42 4.086 -13.971 5.085 317 HB2 CYS 42 2HB CYS 42 2.440 -11.954 5.070 318 HB3 CYS 42 1HB CYS 42 3.563 -10.689 5.551 319 H ALA 43 HN ALA 43 3.566 -12.953 9.135 320 HA ALA 43 HA ALA 43 4.630 -10.814 10.645 321 HB1 ALA 43 1HB ALA 43 5.686 -12.546 12.002 322 HB2 ALA 43 2HB ALA 43 5.316 -13.749 10.767 323 HB3 ALA 43 3HB ALA 43 4.009 -12.955 11.645 324 H GLY 44 HN GLY 44 6.005 -12.905 8.177 325 HA2 GLY 44 2HA GLY 44 8.619 -11.615 8.592 326 HA3 GLY 44 1HA GLY 44 8.377 -13.164 7.801 327 H VAL 45 HN VAL 45 6.441 -10.298 7.191 328 HA VAL 45 HA VAL 45 6.729 -10.523 4.403 329 HB VAL 45 HB VAL 45 4.787 -9.434 5.385 330 HG11 VAL 45 1HG1 VAL 45 5.826 -8.334 7.282 331 HG12 VAL 45 2HG1 VAL 45 4.908 -7.176 6.321 332 HG13 VAL 45 3HG1 VAL 45 6.665 -7.224 6.199 333 HG21 VAL 45 3HG2 VAL 45 5.376 -8.887 3.084 334 HG22 VAL 45 1HG2 VAL 45 6.373 -7.546 3.650 335 HG23 VAL 45 2HG2 VAL 45 4.627 -7.508 3.889 336 H GLU 46 HN GLU 46 8.239 -9.881 3.061 337 HA GLU 46 HA GLU 46 10.359 -8.084 3.992 338 HB2 GLU 46 2HB GLU 46 10.107 -9.943 1.633 339 HB3 GLU 46 1HB GLU 46 11.385 -8.742 1.733 340 HG2 GLU 46 2HG GLU 46 10.902 -10.873 3.795 341 HG3 GLU 46 1HG GLU 46 12.051 -11.003 2.466 342 H TYR 47 HN TYR 47 10.658 -6.075 3.122 343 HA TYR 47 HA TYR 47 8.972 -5.308 0.890 344 HD1 TYR 47 2HD TYR 47 9.900 -2.379 3.925 345 HD2 TYR 47 1HD TYR 47 7.473 -5.806 4.600 346 HE1 TYR 47 2HE TYR 47 10.350 -2.219 6.340 347 HE2 TYR 47 1HE TYR 47 7.911 -5.653 7.010 348 HH TYR 47 HH TYR 47 9.401 -2.924 8.448 349 HB2 TYR 47 2HB TYR 47 8.286 -3.203 2.225 350 HB3 TYR 47 1HB TYR 47 7.421 -4.708 2.489 351 H ASN 48 HN ASN 48 9.738 -3.815 -0.378 352 HA ASN 48 HA ASN 48 12.073 -2.236 0.493 353 HB2 ASN 48 2HB ASN 48 11.193 -2.868 -2.335 354 HB3 ASN 48 1HB ASN 48 12.580 -1.893 -1.893 355 HD21 ASN 48 1HD2 ASN 48 13.433 -3.599 0.279 356 HD22 ASN 48 2HD2 ASN 48 14.087 -5.024 -0.454 357 H VAL 49 HN VAL 49 12.066 -0.023 -0.662 358 HA VAL 49 HA VAL 49 9.458 1.046 -1.231 359 HB VAL 49 HB VAL 49 9.485 0.962 1.261 360 HG11 VAL 49 1HG1 VAL 49 11.736 2.951 1.013 361 HG12 VAL 49 2HG1 VAL 49 11.863 1.307 1.636 362 HG13 VAL 49 3HG1 VAL 49 10.910 2.508 2.506 363 HG21 VAL 49 3HG2 VAL 49 8.105 2.600 0.119 364 HG22 VAL 49 1HG2 VAL 49 9.458 3.733 0.072 365 HG23 VAL 49 2HG2 VAL 49 8.746 3.271 1.620 366 H SER 50 HN SER 50 9.550 3.161 -2.100 367 HA SER 50 HA SER 50 11.946 3.859 -3.420 368 HG SER 50 HG SER 50 9.223 4.489 -5.165 369 HB2 SER 50 2HB SER 50 9.676 5.771 -2.923 370 HB3 SER 50 1HB SER 50 10.737 5.668 -4.324 371 H GLU 51 HN GLU 51 12.960 6.046 -3.205 372 HA GLU 51 HA GLU 51 13.629 6.508 -0.428 373 HB2 GLU 51 2HB GLU 51 15.330 8.081 -1.423 374 HB3 GLU 51 1HB GLU 51 15.501 6.396 -1.887 375 HG2 GLU 51 2HG GLU 51 14.291 6.939 -4.007 376 HG3 GLU 51 1HG GLU 51 14.374 8.639 -3.544 377 H LEU 52 HN LEU 52 12.952 8.173 0.755 378 HA LEU 52 HA LEU 52 10.783 9.751 -0.261 379 HG LEU 52 HG LEU 52 10.964 7.689 2.042 380 HB2 LEU 52 2HB LEU 52 12.195 9.794 2.407 381 HB3 LEU 52 1HB LEU 52 10.742 10.698 2.034 382 HD11 LEU 52 1HD1 LEU 52 9.591 7.799 4.047 383 HD12 LEU 52 2HD1 LEU 52 9.633 9.562 3.993 384 HD13 LEU 52 3HD1 LEU 52 11.118 8.651 4.281 385 HD21 LEU 52 3HD2 LEU 52 8.563 9.484 1.698 386 HD22 LEU 52 1HD2 LEU 52 8.538 7.722 1.796 387 HD23 LEU 52 2HD2 LEU 52 9.320 8.519 0.431 388 H THR 53 HN THR 53 10.898 11.680 -1.158 389 HA THR 53 HA THR 53 13.289 13.319 -0.658 390 HB THR 53 HB THR 53 12.739 14.391 -2.889 391 HG1 THR 53 1HG THR 53 11.106 13.650 -4.022 392 HG21 THR 53 3HG2 THR 53 13.452 11.454 -2.902 393 HG22 THR 53 1HG2 THR 53 14.575 12.794 -2.665 394 HG23 THR 53 2HG2 THR 53 13.761 12.589 -4.216 395 H GLU 54 HN GLU 54 12.532 15.762 -1.411 396 HA GLU 54 HA GLU 54 10.749 16.425 0.721 397 HB2 GLU 54 2HB GLU 54 12.177 18.106 -1.331 398 HB3 GLU 54 1HB GLU 54 11.210 18.764 -0.024 399 HG2 GLU 54 2HG GLU 54 13.669 17.060 0.279 400 HG3 GLU 54 1HG GLU 54 13.572 18.802 0.534 401 H GLU 55 HN GLU 55 10.448 16.152 -2.758 402 HA GLU 55 HA GLU 55 7.800 17.407 -2.584 403 HB2 GLU 55 2HB GLU 55 7.986 18.034 -4.855 404 HB3 GLU 55 1HB GLU 55 9.517 18.440 -4.112 405 HG2 GLU 55 2HG GLU 55 8.945 16.076 -5.882 406 HG3 GLU 55 1HG GLU 55 9.854 17.521 -6.313 407 H SER 56 HN SER 56 8.503 14.562 -1.975 408 HA SER 56 HA SER 56 7.544 12.879 -4.012 409 HG SER 56 HG SER 56 9.570 12.481 -2.754 410 HB2 SER 56 2HB SER 56 7.380 12.379 -1.041 411 HB3 SER 56 1HB SER 56 7.428 11.177 -2.325 412 H LYS 57 HN LYS 57 5.550 12.861 -4.837 413 HA LYS 57 HA LYS 57 3.266 13.186 -3.012 414 HB2 LYS 57 2HB LYS 57 3.628 13.654 -5.920 415 HB3 LYS 57 1HB LYS 57 2.074 13.008 -5.416 416 HG2 LYS 57 2HG LYS 57 1.821 15.335 -5.497 417 HG3 LYS 57 1HG LYS 57 1.941 14.924 -3.787 418 HD2 LYS 57 2HD LYS 57 4.267 15.605 -3.762 419 HD3 LYS 57 1HD LYS 57 4.210 15.936 -5.494 420 HE2 LYS 57 2HE LYS 57 2.721 17.366 -3.301 421 HE3 LYS 57 1HE LYS 57 3.998 18.014 -4.328 422 HZ1 LYS 57 3HZ LYS 57 2.446 17.577 -6.250 423 HZ2 LYS 57 1HZ LYS 57 1.983 18.820 -5.190 424 HZ3 LYS 57 2HZ LYS 57 1.222 17.308 -5.108 425 H GLU 58 HN GLU 58 5.201 10.858 -4.167 426 HA GLU 58 HA GLU 58 3.189 8.796 -3.858 427 HB2 GLU 58 2HB GLU 58 3.775 7.658 -5.940 428 HB3 GLU 58 1HB GLU 58 3.134 9.260 -6.272 429 HG2 GLU 58 2HG GLU 58 5.310 10.116 -6.738 430 HG3 GLU 58 1HG GLU 58 6.073 8.631 -6.172 431 H LEU 59 HN LEU 59 4.066 6.757 -3.381 432 HA LEU 59 HA LEU 59 6.918 6.364 -3.595 433 HG LEU 59 HG LEU 59 5.250 4.723 -0.673 434 HB2 LEU 59 2HB LEU 59 7.376 5.815 -1.351 435 HB3 LEU 59 1HB LEU 59 6.569 7.362 -1.319 436 HD11 LEU 59 1HD1 LEU 59 5.313 5.534 1.653 437 HD12 LEU 59 2HD1 LEU 59 6.310 6.891 1.127 438 HD13 LEU 59 3HD1 LEU 59 6.916 5.241 0.982 439 HD21 LEU 59 3HD2 LEU 59 4.274 7.553 -0.309 440 HD22 LEU 59 1HD2 LEU 59 3.444 6.091 0.225 441 HD23 LEU 59 2HD2 LEU 59 3.674 6.395 -1.496 442 H THR 60 HN THR 60 7.463 4.249 -3.820 443 HA THR 60 HA THR 60 5.157 2.466 -4.167 444 HB THR 60 HB THR 60 7.890 2.146 -5.419 445 HG1 THR 60 1HG THR 60 7.258 3.895 -6.490 446 HG21 THR 60 3HG2 THR 60 6.662 0.734 -7.020 447 HG22 THR 60 1HG2 THR 60 5.182 0.988 -6.095 448 HG23 THR 60 2HG2 THR 60 6.536 0.118 -5.372 449 H ALA 61 HN ALA 61 4.995 0.692 -2.971 450 HA ALA 61 HA ALA 61 7.293 -0.049 -1.286 451 HB1 ALA 61 1HB ALA 61 5.466 0.948 0.005 452 HB2 ALA 61 2HB ALA 61 5.700 -0.751 0.418 453 HB3 ALA 61 3HB ALA 61 4.359 -0.275 -0.623 454 H ARG 62 HN ARG 62 8.109 -1.923 -1.782 455 HA ARG 62 HA ARG 62 6.560 -3.832 -3.373 456 HE ARG 62 HE ARG 62 7.140 -3.702 -5.743 457 HB2 ARG 62 2HB ARG 62 8.773 -3.135 -4.190 458 HB3 ARG 62 1HB ARG 62 9.507 -3.676 -2.690 459 HG2 ARG 62 2HG ARG 62 9.929 -5.274 -4.426 460 HG3 ARG 62 1HG ARG 62 8.850 -5.982 -3.225 461 HD2 ARG 62 2HD ARG 62 8.267 -6.413 -5.645 462 HD3 ARG 62 1HD ARG 62 6.978 -5.767 -4.633 463 HH11 ARG 62 1HH1 ARG 62 9.488 -5.994 -6.989 464 HH12 ARG 62 2HH1 ARG 62 9.632 -5.195 -8.522 465 HH21 ARG 62 1HH2 ARG 62 7.333 -2.656 -7.729 466 HH22 ARG 62 2HH2 ARG 62 8.411 -3.279 -8.939 467 H PHE 63 HN PHE 63 5.503 -5.377 -2.229 468 HA PHE 63 HA PHE 63 6.719 -6.281 0.301 469 HD1 PHE 63 2HD PHE 63 5.405 -5.662 2.719 470 HD2 PHE 63 1HD PHE 63 3.417 -3.923 -0.616 471 HE1 PHE 63 2HE PHE 63 5.143 -3.564 3.976 472 HE2 PHE 63 1HE PHE 63 3.148 -1.821 0.637 473 HZ PHE 63 HZ PHE 63 4.014 -1.640 2.936 474 HB2 PHE 63 2HB PHE 63 3.821 -6.239 -0.560 475 HB3 PHE 63 1HB PHE 63 4.396 -7.035 0.898 476 H LYS 64 HN LYS 64 7.532 -8.271 0.300 477 HA LYS 64 HA LYS 64 6.176 -10.280 -1.378 478 HB2 LYS 64 2HB LYS 64 8.583 -9.940 -1.970 479 HB3 LYS 64 1HB LYS 64 9.013 -10.441 -0.337 480 HG2 LYS 64 2HG LYS 64 7.969 -12.619 -0.726 481 HG3 LYS 64 1HG LYS 64 7.540 -12.121 -2.361 482 HD2 LYS 64 2HD LYS 64 9.967 -11.824 -2.836 483 HD3 LYS 64 1HD LYS 64 10.315 -12.485 -1.237 484 HE2 LYS 64 2HE LYS 64 8.827 -13.909 -3.449 485 HE3 LYS 64 1HE LYS 64 10.501 -14.200 -2.982 486 HZ1 LYS 64 3HZ LYS 64 9.847 -15.090 -0.931 487 HZ2 LYS 64 1HZ LYS 64 8.775 -15.778 -2.056 488 HZ3 LYS 64 2HZ LYS 64 8.263 -14.500 -1.068 489 H PHE 65 HN PHE 65 5.105 -11.774 -0.336 490 HA PHE 65 HA PHE 65 5.250 -11.815 2.570 491 HD1 PHE 65 1HD PHE 65 2.621 -10.993 3.568 492 HD2 PHE 65 2HD PHE 65 2.799 -11.204 -0.679 493 HE1 PHE 65 1HE PHE 65 1.442 -8.839 3.414 494 HE2 PHE 65 2HE PHE 65 1.621 -9.053 -0.840 495 HZ PHE 65 HZ PHE 65 0.943 -7.866 1.209 496 HB2 PHE 65 2HB PHE 65 3.295 -13.129 0.669 497 HB3 PHE 65 1HB PHE 65 3.145 -13.077 2.424 498 H GLU 66 HN GLU 66 4.523 -14.302 3.279 499 HA GLU 66 HA GLU 66 6.968 -15.751 2.665 500 HB2 GLU 66 2HB GLU 66 6.076 -15.168 5.017 501 HB3 GLU 66 1HB GLU 66 4.938 -16.482 4.756 502 HG2 GLU 66 2HG GLU 66 6.711 -18.036 4.475 503 HG3 GLU 66 1HG GLU 66 7.911 -16.751 4.562 504 H VAL 67 HN VAL 67 3.495 -15.957 2.379 505 HA VAL 67 HA VAL 67 3.907 -18.166 0.485 506 HB VAL 67 HB VAL 67 1.726 -19.163 1.092 507 HG11 VAL 67 1HG1 VAL 67 3.760 -20.128 2.001 508 HG12 VAL 67 2HG1 VAL 67 2.438 -20.256 3.161 509 HG13 VAL 67 3HG1 VAL 67 3.684 -19.028 3.377 510 HG21 VAL 67 3HG2 VAL 67 0.656 -18.580 3.213 511 HG22 VAL 67 1HG2 VAL 67 0.667 -17.219 2.091 512 HG23 VAL 67 2HG2 VAL 67 1.813 -17.266 3.430 513 H SER 68 HN SER 68 2.129 -18.328 -1.110 514 HA SER 68 HA SER 68 1.802 -15.781 -2.288 515 HG SER 68 HG SER 68 2.886 -17.719 -4.206 516 HB2 SER 68 2HB SER 68 0.386 -18.299 -3.141 517 HB3 SER 68 1HB SER 68 0.906 -16.946 -4.145 518 H ALA 69 HN ALA 69 -0.185 -17.674 -0.228 519 HA ALA 69 HA ALA 69 -2.708 -16.582 -0.950 520 HB1 ALA 69 1HB ALA 69 -3.536 -17.571 1.105 521 HB2 ALA 69 2HB ALA 69 -1.887 -17.831 1.672 522 HB3 ALA 69 3HB ALA 69 -2.483 -18.704 0.260 523 H GLU 70 HN GLU 70 -0.144 -15.513 1.154 524 HA GLU 70 HA GLU 70 -1.679 -13.707 2.713 525 HB2 GLU 70 2HB GLU 70 1.277 -13.833 2.117 526 HB3 GLU 70 1HB GLU 70 0.559 -12.750 3.299 527 HG2 GLU 70 2HG GLU 70 -0.241 -14.628 4.588 528 HG3 GLU 70 1HG GLU 70 0.367 -15.749 3.373 529 H LYS 71 HN LYS 71 -0.067 -13.494 -0.375 530 HA LYS 71 HA LYS 71 -0.108 -10.747 -0.852 531 HB2 LYS 71 2HB LYS 71 0.870 -12.380 -2.405 532 HB3 LYS 71 1HB LYS 71 -0.715 -13.020 -2.757 533 HG2 LYS 71 2HG LYS 71 -1.362 -10.851 -3.718 534 HG3 LYS 71 1HG LYS 71 0.274 -10.261 -3.428 535 HD2 LYS 71 2HD LYS 71 1.204 -11.797 -4.967 536 HD3 LYS 71 1HD LYS 71 -0.295 -12.721 -5.059 537 HE2 LYS 71 2HE LYS 71 0.040 -11.346 -7.059 538 HE3 LYS 71 1HE LYS 71 -1.400 -10.860 -6.168 539 HZ1 LYS 71 3HZ LYS 71 1.181 -9.485 -5.753 540 HZ2 LYS 71 1HZ LYS 71 -0.385 -8.923 -5.428 541 HZ3 LYS 71 2HZ LYS 71 0.158 -9.048 -7.026 542 H LEU 72 HN LEU 72 -2.469 -13.137 -1.807 543 HA LEU 72 HA LEU 72 -4.498 -11.521 -2.732 544 HG LEU 72 HG LEU 72 -3.291 -14.419 -3.158 545 HB2 LEU 72 2HB LEU 72 -4.815 -14.129 -1.240 546 HB3 LEU 72 1HB LEU 72 -6.003 -13.405 -2.302 547 HD11 LEU 72 1HD1 LEU 72 -4.573 -16.184 -4.286 548 HD12 LEU 72 2HD1 LEU 72 -6.054 -15.566 -3.556 549 HD13 LEU 72 3HD1 LEU 72 -4.781 -16.236 -2.536 550 HD21 LEU 72 3HD2 LEU 72 -5.604 -13.377 -4.792 551 HD22 LEU 72 1HD2 LEU 72 -4.096 -14.035 -5.425 552 HD23 LEU 72 2HD2 LEU 72 -4.085 -12.530 -4.505 553 H ILE 73 HN ILE 73 -4.065 -12.711 0.599 554 HA ILE 73 HA ILE 73 -6.409 -11.603 1.683 555 HB ILE 73 HB ILE 73 -3.761 -12.126 3.054 556 HG12 ILE 73 2HG1 ILE 73 -6.256 -13.831 2.883 557 HG13 ILE 73 1HG1 ILE 73 -4.780 -14.107 1.963 558 HG21 ILE 73 1HG2 ILE 73 -5.130 -10.610 4.371 559 HG22 ILE 73 2HG2 ILE 73 -5.063 -12.199 5.132 560 HG23 ILE 73 3HG2 ILE 73 -6.504 -11.708 4.241 561 HD11 ILE 73 3HD1 ILE 73 -3.560 -14.476 4.046 562 HD12 ILE 73 1HD1 ILE 73 -4.913 -15.594 3.872 563 HD13 ILE 73 2HD1 ILE 73 -5.046 -14.211 4.961 564 H PHE 74 HN PHE 74 -3.123 -10.269 1.468 565 HA PHE 74 HA PHE 74 -3.718 -7.862 2.838 566 HD1 PHE 74 2HD PHE 74 -1.709 -6.734 4.127 567 HD2 PHE 74 1HD PHE 74 -0.813 -6.383 -0.019 568 HE1 PHE 74 2HE PHE 74 -0.823 -4.471 4.514 569 HE2 PHE 74 1HE PHE 74 0.078 -4.121 0.361 570 HZ PHE 74 HZ PHE 74 0.073 -3.161 2.628 571 HB2 PHE 74 2HB PHE 74 -1.425 -8.746 2.539 572 HB3 PHE 74 1HB PHE 74 -1.533 -8.418 0.815 573 H GLU 75 HN GLU 75 -3.648 -8.734 -0.589 574 HA GLU 75 HA GLU 75 -4.211 -6.172 -1.612 575 HB2 GLU 75 2HB GLU 75 -4.754 -8.913 -2.761 576 HB3 GLU 75 1HB GLU 75 -4.928 -7.414 -3.662 577 HG2 GLU 75 2HG GLU 75 -2.547 -6.935 -3.278 578 HG3 GLU 75 1HG GLU 75 -2.393 -8.483 -2.449 579 H LEU 76 HN LEU 76 -6.296 -8.783 -0.510 580 HA LEU 76 HA LEU 76 -8.737 -7.738 -1.398 581 HG LEU 76 HG LEU 76 -8.118 -10.480 -1.659 582 HB2 LEU 76 2HB LEU 76 -7.848 -9.698 0.666 583 HB3 LEU 76 1HB LEU 76 -9.506 -9.175 0.671 584 HD11 LEU 76 1HD1 LEU 76 -10.137 -11.604 0.277 585 HD12 LEU 76 2HD1 LEU 76 -8.422 -12.014 0.215 586 HD13 LEU 76 3HD1 LEU 76 -9.477 -12.429 -1.135 587 HD21 LEU 76 3HD2 LEU 76 -11.001 -9.706 -1.232 588 HD22 LEU 76 1HD2 LEU 76 -10.394 -10.667 -2.581 589 HD23 LEU 76 2HD2 LEU 76 -9.878 -8.991 -2.389 590 H LYS 77 HN LYS 77 -6.908 -7.265 1.595 591 HA LYS 77 HA LYS 77 -9.002 -5.681 2.760 592 HB2 LYS 77 2HB LYS 77 -6.255 -6.486 3.625 593 HB3 LYS 77 1HB LYS 77 -7.075 -5.172 4.459 594 HG2 LYS 77 2HG LYS 77 -8.983 -6.681 4.881 595 HG3 LYS 77 1HG LYS 77 -8.072 -7.993 4.135 596 HD2 LYS 77 2HD LYS 77 -7.055 -6.435 6.501 597 HD3 LYS 77 1HD LYS 77 -8.037 -7.889 6.667 598 HE2 LYS 77 2HE LYS 77 -6.321 -9.067 5.251 599 HE3 LYS 77 1HE LYS 77 -5.312 -7.630 5.418 600 HZ1 LYS 77 3HZ LYS 77 -6.337 -9.291 7.662 601 HZ2 LYS 77 1HZ LYS 77 -5.348 -7.924 7.822 602 HZ3 LYS 77 2HZ LYS 77 -4.755 -9.324 7.065 603 H THR 78 HN THR 78 -6.053 -5.020 0.966 604 HA THR 78 HA THR 78 -6.050 -2.227 1.582 605 HB THR 78 HB THR 78 -4.489 -2.116 -0.464 606 HG1 THR 78 1HG THR 78 -4.261 -4.907 -0.076 607 HG21 THR 78 3HG2 THR 78 -3.713 -2.083 1.853 608 HG22 THR 78 1HG2 THR 78 -2.619 -3.020 0.834 609 HG23 THR 78 2HG2 THR 78 -3.757 -3.845 1.900 610 H ARG 79 HN ARG 79 -7.511 -4.202 -0.916 611 HA ARG 79 HA ARG 79 -8.238 -2.298 -2.771 612 HE ARG 79 HE ARG 79 -7.364 -3.283 -6.280 613 HB2 ARG 79 2HB ARG 79 -9.276 -4.919 -1.872 614 HB3 ARG 79 1HB ARG 79 -10.362 -3.928 -2.830 615 HG2 ARG 79 2HG ARG 79 -7.555 -4.499 -3.705 616 HG3 ARG 79 1HG ARG 79 -8.895 -5.586 -4.065 617 HD2 ARG 79 2HD ARG 79 -10.027 -3.925 -5.319 618 HD3 ARG 79 1HD ARG 79 -8.957 -2.661 -4.724 619 HH11 ARG 79 1HH1 ARG 79 -10.034 -5.557 -6.316 620 HH12 ARG 79 2HH1 ARG 79 -9.564 -6.268 -7.834 621 HH21 ARG 79 1HH2 ARG 79 -6.763 -4.184 -8.258 622 HH22 ARG 79 2HH2 ARG 79 -7.675 -5.514 -8.926 623 H SER 80 HN SER 80 -9.888 -3.193 0.234 624 HA SER 80 HA SER 80 -12.096 -1.511 -0.105 625 HG SER 80 HG SER 80 -12.610 -3.727 0.653 626 HB2 SER 80 2HB SER 80 -10.848 -2.456 2.478 627 HB3 SER 80 1HB SER 80 -12.514 -1.951 2.231 628 H LEU 81 HN LEU 81 -8.872 -0.905 1.113 629 HA LEU 81 HA LEU 81 -9.512 1.662 2.243 630 HG LEU 81 HG LEU 81 -7.546 -1.184 2.301 631 HB2 LEU 81 2HB LEU 81 -6.733 0.982 1.447 632 HB3 LEU 81 1HB LEU 81 -7.321 1.750 2.905 633 HD11 LEU 81 1HD1 LEU 81 -5.618 0.331 4.059 634 HD12 LEU 81 2HD1 LEU 81 -5.230 -0.578 2.597 635 HD13 LEU 81 3HD1 LEU 81 -5.798 -1.424 4.037 636 HD21 LEU 81 3HD2 LEU 81 -9.304 -0.403 3.791 637 HD22 LEU 81 1HD2 LEU 81 -8.108 0.387 4.820 638 HD23 LEU 81 2HD2 LEU 81 -8.131 -1.372 4.685 639 H ALA 82 HN ALA 82 -8.063 0.380 -0.670 640 HA ALA 82 HA ALA 82 -8.354 3.002 -1.964 641 HB1 ALA 82 1HB ALA 82 -6.172 2.775 -3.039 642 HB2 ALA 82 2HB ALA 82 -5.878 1.285 -2.142 643 HB3 ALA 82 3HB ALA 82 -6.012 2.820 -1.283 644 H ARG 83 HN ARG 83 -10.087 2.323 -3.132 645 HA ARG 83 HA ARG 83 -9.964 -0.150 -4.658 646 HE ARG 83 HE ARG 83 -13.812 -0.780 -3.180 647 HB2 ARG 83 2HB ARG 83 -12.019 0.709 -3.441 648 HB3 ARG 83 1HB ARG 83 -12.138 1.944 -4.686 649 HG2 ARG 83 2HG ARG 83 -12.392 0.214 -6.388 650 HG3 ARG 83 1HG ARG 83 -12.250 -1.030 -5.142 651 HD2 ARG 83 2HD ARG 83 -14.418 1.056 -5.367 652 HD3 ARG 83 1HD ARG 83 -14.580 -0.670 -5.685 653 HH11 ARG 83 1HH1 ARG 83 -16.071 1.444 -4.663 654 HH12 ARG 83 2HH1 ARG 83 -17.002 1.672 -3.210 655 HH21 ARG 83 1HH2 ARG 83 -15.039 -0.484 -1.259 656 HH22 ARG 83 2HH2 ARG 83 -16.419 0.569 -1.276 657 H LEU 84 HN LEU 84 -8.826 2.880 -5.070 658 HA LEU 84 HA LEU 84 -9.267 2.894 -7.976 659 HG LEU 84 HG LEU 84 -11.012 4.624 -6.123 660 HB2 LEU 84 2HB LEU 84 -8.618 5.147 -6.084 661 HB3 LEU 84 1HB LEU 84 -8.615 5.303 -7.828 662 HD11 LEU 84 1HD1 LEU 84 -10.315 6.954 -5.921 663 HD12 LEU 84 2HD1 LEU 84 -11.830 6.818 -6.811 664 HD13 LEU 84 3HD1 LEU 84 -10.325 7.115 -7.677 665 HD21 LEU 84 3HD2 LEU 84 -12.281 4.820 -8.208 666 HD22 LEU 84 1HD2 LEU 84 -11.103 3.507 -8.284 667 HD23 LEU 84 2HD2 LEU 84 -10.776 5.035 -9.103 668 H GLU 85 HN GLU 85 -7.287 1.269 -6.719 669 HA GLU 85 HA GLU 85 -4.747 2.569 -7.005 670 HB2 GLU 85 2HB GLU 85 -3.835 0.215 -6.768 671 HB3 GLU 85 1HB GLU 85 -4.750 0.843 -5.415 672 HG2 GLU 85 2HG GLU 85 -5.479 -1.344 -5.607 673 HG3 GLU 85 1HG GLU 85 -6.741 -0.419 -6.409 674 H HIS 86 HN HIS 86 -3.069 1.815 -8.444 675 HA HIS 86 HA HIS 86 -4.129 1.035 -11.074 676 HD1 HIS 86 1HD HIS 86 -2.874 3.510 -13.641 677 HD2 HIS 86 2HD HIS 86 -4.585 4.271 -9.925 678 HE1 HIS 86 1HE HIS 86 -4.540 5.355 -14.023 679 HE2 HIS 86 2HE HIS 86 -5.391 5.945 -11.725 680 HB2 HIS 86 2HB HIS 86 -1.887 2.886 -10.310 681 HB3 HIS 86 1HB HIS 86 -1.895 2.096 -11.884 682 H HIS 87 HN HIS 87 -3.192 -0.647 -12.125 683 HA HIS 87 HA HIS 87 -1.754 -2.445 -10.352 684 HD1 HIS 87 1HD HIS 87 -4.416 -2.480 -9.957 685 HD2 HIS 87 2HD HIS 87 -5.030 -3.431 -13.970 686 HE1 HIS 87 1HE HIS 87 -6.889 -2.277 -10.342 687 HE2 HIS 87 2HE HIS 87 -7.220 -2.698 -12.806 688 HB2 HIS 87 2HB HIS 87 -2.462 -3.196 -13.161 689 HB3 HIS 87 1HB HIS 87 -2.466 -4.184 -11.704 690 H HIS 88 HN HIS 88 0.277 -3.305 -10.768 691 HA HIS 88 HA HIS 88 1.917 -1.612 -12.485 692 HD1 HIS 88 1HD HIS 88 3.691 -0.047 -11.002 693 HD2 HIS 88 2HD HIS 88 1.800 -2.393 -8.132 694 HE1 HIS 88 1HE HIS 88 3.364 1.446 -9.012 695 HE2 HIS 88 2HE HIS 88 2.474 -0.071 -7.220 696 HB2 HIS 88 2HB HIS 88 2.663 -3.655 -10.386 697 HB3 HIS 88 1HB HIS 88 3.833 -2.744 -11.335 698 H HIS 89 HN HIS 89 0.106 -3.687 -13.519 699 HA HIS 89 HA HIS 89 2.060 -4.982 -15.267 700 HD1 HIS 89 1HD HIS 89 2.841 -8.154 -14.940 701 HD2 HIS 89 2HD HIS 89 1.265 -6.403 -11.513 702 HE1 HIS 89 1HE HIS 89 4.269 -8.969 -13.040 703 HE2 HIS 89 2HE HIS 89 3.160 -8.072 -10.961 704 HB2 HIS 89 2HB HIS 89 -0.247 -6.385 -13.899 705 HB3 HIS 89 1HB HIS 89 0.577 -7.037 -15.308 706 H HIS 90 HN HIS 90 1.625 -3.905 -17.107 707 HA HIS 90 HA HIS 90 -1.176 -3.936 -18.004 708 HD1 HIS 90 1HD HIS 90 0.073 -1.143 -20.851 709 HD2 HIS 90 2HD HIS 90 -3.205 -1.452 -18.301 710 HE1 HIS 90 1HE HIS 90 -1.914 -0.396 -22.200 711 HE2 HIS 90 2HE HIS 90 -3.875 -0.517 -20.623 712 HB2 HIS 90 2HB HIS 90 -0.598 -1.652 -17.219 713 HB3 HIS 90 1HB HIS 90 0.705 -1.601 -18.401 714 H HIS 91 HN HIS 91 -1.008 -5.515 -19.452 715 HA HIS 91 HA HIS 91 0.494 -4.859 -21.871 716 HD1 HIS 91 1HD HIS 91 0.908 -9.560 -22.054 717 HD2 HIS 91 2HD HIS 91 1.487 -5.930 -24.001 718 HE1 HIS 91 1HE HIS 91 1.317 -10.140 -24.464 719 HE2 HIS 91 2HE HIS 91 1.407 -7.924 -25.654 720 HB2 HIS 91 2HB HIS 91 1.837 -6.589 -20.820 721 HB3 HIS 91 1HB HIS 91 0.415 -7.598 -20.578 Start of MODEL 5 1 HA ALA 1 HA ALA 1 11.333 -10.239 -16.112 2 H1 ALA 1 1HT ALA 1 9.833 -11.122 -14.496 3 H2 ALA 1 2HT ALA 1 9.681 -12.000 -15.940 4 H3 ALA 1 3HT ALA 1 8.505 -10.856 -15.518 5 HB1 ALA 1 2HB ALA 1 10.514 -9.289 -18.204 6 HB2 ALA 1 3HB ALA 1 8.871 -9.788 -17.802 7 HB3 ALA 1 1HB ALA 1 10.113 -11.003 -18.103 8 H GLY 2 HN GLY 2 11.720 -7.956 -16.298 9 HA2 GLY 2 2HA GLY 2 11.097 -5.687 -15.973 10 HA3 GLY 2 1HA GLY 2 9.677 -6.230 -15.092 11 H GLU 3 HN GLU 3 13.163 -5.810 -14.925 12 HA GLU 3 HA GLU 3 13.105 -6.147 -12.028 13 HB2 GLU 3 2HB GLU 3 14.984 -7.119 -13.312 14 HB3 GLU 3 1HB GLU 3 15.415 -5.509 -13.869 15 HG2 GLU 3 2HG GLU 3 15.816 -4.841 -11.526 16 HG3 GLU 3 1HG GLU 3 15.487 -6.501 -11.031 17 H ILE 4 HN ILE 4 13.323 -4.512 -10.621 18 HA ILE 4 HA ILE 4 13.381 -1.776 -11.703 19 HB ILE 4 HB ILE 4 11.913 -2.523 -9.171 20 HG12 ILE 4 2HG1 ILE 4 10.725 -2.381 -11.956 21 HG13 ILE 4 1HG1 ILE 4 10.967 -3.864 -11.038 22 HG21 ILE 4 1HG2 ILE 4 11.701 -0.203 -11.086 23 HG22 ILE 4 2HG2 ILE 4 12.387 -0.174 -9.460 24 HG23 ILE 4 3HG2 ILE 4 10.661 -0.453 -9.685 25 HD11 ILE 4 3HD1 ILE 4 8.654 -3.113 -10.960 26 HD12 ILE 4 1HD1 ILE 4 9.166 -1.585 -10.246 27 HD13 ILE 4 2HD1 ILE 4 9.389 -3.093 -9.357 28 H GLY 5 HN GLY 5 14.124 -0.174 -9.973 29 HA2 GLY 5 2HA GLY 5 16.614 -1.069 -8.888 30 HA3 GLY 5 1HA GLY 5 15.909 0.523 -8.702 31 H PHE 6 HN PHE 6 14.791 -2.661 -7.719 32 HA PHE 6 HA PHE 6 15.030 -1.911 -4.903 33 HD1 PHE 6 1HD PHE 6 13.074 -0.744 -3.433 34 HD2 PHE 6 2HD PHE 6 11.632 -1.370 -7.385 35 HE1 PHE 6 1HE PHE 6 12.026 1.480 -3.396 36 HE2 PHE 6 2HE PHE 6 10.582 0.856 -7.357 37 HZ PHE 6 HZ PHE 6 10.778 2.284 -5.361 38 HB2 PHE 6 2HB PHE 6 12.595 -3.135 -6.223 39 HB3 PHE 6 1HB PHE 6 12.838 -3.049 -4.486 40 H ILE 7 HN ILE 7 14.573 -4.042 -3.564 41 HA ILE 7 HA ILE 7 16.344 -6.070 -4.631 42 HB ILE 7 HB ILE 7 14.823 -6.074 -2.019 43 HG12 ILE 7 2HG1 ILE 7 16.255 -4.080 -2.237 44 HG13 ILE 7 1HG1 ILE 7 16.843 -5.173 -0.993 45 HG21 ILE 7 1HG2 ILE 7 15.633 -8.268 -2.645 46 HG22 ILE 7 2HG2 ILE 7 16.570 -7.641 -1.289 47 HG23 ILE 7 3HG2 ILE 7 17.250 -7.617 -2.915 48 HD11 ILE 7 3HD1 ILE 7 17.946 -4.936 -3.782 49 HD12 ILE 7 1HD1 ILE 7 18.559 -5.992 -2.509 50 HD13 ILE 7 2HD1 ILE 7 18.658 -4.240 -2.327 51 H ILE 8 HN ILE 8 12.957 -5.603 -4.000 52 HA ILE 8 HA ILE 8 12.328 -8.377 -4.643 53 HB ILE 8 HB ILE 8 10.578 -6.114 -3.668 54 HG12 ILE 8 2HG1 ILE 8 11.524 -8.643 -2.311 55 HG13 ILE 8 1HG1 ILE 8 12.213 -7.043 -2.048 56 HG21 ILE 8 1HG2 ILE 8 8.829 -7.816 -3.375 57 HG22 ILE 8 2HG2 ILE 8 9.861 -9.007 -4.166 58 HG23 ILE 8 3HG2 ILE 8 9.270 -7.613 -5.070 59 HD11 ILE 8 3HD1 ILE 8 10.069 -6.269 -1.171 60 HD12 ILE 8 1HD1 ILE 8 10.693 -7.643 -0.258 61 HD13 ILE 8 2HD1 ILE 8 9.390 -7.878 -1.424 62 H LYS 9 HN LYS 9 11.737 -8.995 -6.579 63 HA LYS 9 HA LYS 9 10.890 -6.997 -8.550 64 HB2 LYS 9 2HB LYS 9 12.132 -9.728 -8.811 65 HB3 LYS 9 1HB LYS 9 11.387 -8.909 -10.173 66 HG2 LYS 9 2HG LYS 9 12.942 -7.064 -9.955 67 HG3 LYS 9 1HG LYS 9 13.653 -7.814 -8.529 68 HD2 LYS 9 2HD LYS 9 13.581 -9.289 -11.132 69 HD3 LYS 9 1HD LYS 9 14.821 -8.071 -10.838 70 HE2 LYS 9 2HE LYS 9 15.777 -10.143 -10.213 71 HE3 LYS 9 1HE LYS 9 15.374 -9.317 -8.711 72 HZ1 LYS 9 3HZ LYS 9 13.405 -10.690 -8.505 73 HZ2 LYS 9 1HZ LYS 9 14.780 -11.671 -8.668 74 HZ3 LYS 9 2HZ LYS 9 13.735 -11.446 -9.987 75 H GLU 10 HN GLU 10 9.625 -8.626 -10.350 76 HA GLU 10 HA GLU 10 7.015 -8.657 -9.353 77 HB2 GLU 10 2HB GLU 10 8.291 -9.826 -11.818 78 HB3 GLU 10 1HB GLU 10 6.566 -9.872 -11.525 79 HG2 GLU 10 2HG GLU 10 8.138 -7.322 -11.560 80 HG3 GLU 10 1HG GLU 10 7.376 -8.009 -12.997 81 H GLY 11 HN GLY 11 5.526 -10.521 -9.401 82 HA2 GLY 11 2HA GLY 11 6.099 -13.182 -9.386 83 HA3 GLY 11 1HA GLY 11 6.529 -12.648 -7.764 84 H ASP 12 HN ASP 12 4.699 -14.350 -7.497 85 HA ASP 12 HA ASP 12 2.051 -13.129 -7.795 86 HB2 ASP 12 2HB ASP 12 2.405 -15.492 -8.547 87 HB3 ASP 12 1HB ASP 12 2.752 -15.926 -6.879 88 H GLU 13 HN GLU 13 4.387 -14.146 -5.472 89 HA GLU 13 HA GLU 13 2.718 -13.678 -3.160 90 HB2 GLU 13 2HB GLU 13 5.636 -13.680 -2.750 91 HB3 GLU 13 1HB GLU 13 4.393 -14.627 -1.951 92 HG2 GLU 13 2HG GLU 13 5.741 -16.197 -3.024 93 HG3 GLU 13 1HG GLU 13 4.328 -16.041 -4.066 94 H VAL 14 HN VAL 14 4.146 -11.711 -5.349 95 HA VAL 14 HA VAL 14 5.025 -9.681 -3.440 96 HB VAL 14 HB VAL 14 5.297 -9.697 -6.455 97 HG11 VAL 14 1HG1 VAL 14 6.946 -7.923 -6.084 98 HG12 VAL 14 2HG1 VAL 14 6.576 -7.945 -4.360 99 HG13 VAL 14 3HG1 VAL 14 5.343 -7.454 -5.522 100 HG21 VAL 14 3HG2 VAL 14 7.665 -10.247 -6.014 101 HG22 VAL 14 1HG2 VAL 14 6.558 -11.524 -5.507 102 HG23 VAL 14 2HG2 VAL 14 7.275 -10.450 -4.306 103 H ALA 15 HN ALA 15 3.994 -7.805 -3.136 104 HA ALA 15 HA ALA 15 2.010 -6.880 -5.077 105 HB1 ALA 15 1HB ALA 15 1.435 -7.131 -2.119 106 HB2 ALA 15 2HB ALA 15 0.706 -8.102 -3.400 107 HB3 ALA 15 3HB ALA 15 0.383 -6.370 -3.314 108 H ASP 16 HN ASP 16 2.761 -4.915 -5.623 109 HA ASP 16 HA ASP 16 4.029 -3.305 -3.529 110 HB2 ASP 16 2HB ASP 16 5.019 -1.998 -5.376 111 HB3 ASP 16 1HB ASP 16 5.496 -3.685 -5.413 112 H VAL 17 HN VAL 17 3.368 -1.280 -3.094 113 HA VAL 17 HA VAL 17 0.985 -0.297 -4.531 114 HB VAL 17 HB VAL 17 1.510 0.206 -1.609 115 HG11 VAL 17 1HG1 VAL 17 -0.845 0.884 -1.573 116 HG12 VAL 17 2HG1 VAL 17 -0.951 0.572 -3.306 117 HG13 VAL 17 3HG1 VAL 17 0.106 1.849 -2.703 118 HG21 VAL 17 3HG2 VAL 17 -0.204 -1.451 -1.075 119 HG22 VAL 17 1HG2 VAL 17 1.156 -2.199 -1.913 120 HG23 VAL 17 2HG2 VAL 17 -0.342 -1.868 -2.784 121 H THR 18 HN THR 18 1.088 1.696 -5.224 122 HA THR 18 HA THR 18 3.494 3.255 -4.613 123 HB THR 18 HB THR 18 1.590 3.574 -6.931 124 HG1 THR 18 1HG THR 18 2.557 1.595 -7.164 125 HG21 THR 18 3HG2 THR 18 3.435 4.847 -7.944 126 HG22 THR 18 1HG2 THR 18 4.393 4.619 -6.480 127 HG23 THR 18 2HG2 THR 18 2.915 5.578 -6.425 128 H ILE 19 HN ILE 19 3.151 4.754 -3.111 129 HA ILE 19 HA ILE 19 0.466 5.909 -2.827 130 HB ILE 19 HB ILE 19 2.752 6.314 -0.920 131 HG12 ILE 19 2HG1 ILE 19 0.688 4.102 -0.781 132 HG13 ILE 19 1HG1 ILE 19 2.366 3.866 -1.261 133 HG21 ILE 19 1HG2 ILE 19 0.957 6.710 0.695 134 HG22 ILE 19 2HG2 ILE 19 -0.239 6.407 -0.565 135 HG23 ILE 19 3HG2 ILE 19 0.836 7.799 -0.688 136 HD11 ILE 19 3HD1 ILE 19 2.006 3.227 1.056 137 HD12 ILE 19 1HD1 ILE 19 1.428 4.853 1.423 138 HD13 ILE 19 2HD1 ILE 19 3.106 4.601 0.943 139 H PHE 20 HN PHE 20 0.091 8.017 -3.133 140 HA PHE 20 HA PHE 20 2.240 9.925 -3.291 141 HD1 PHE 20 2HD PHE 20 -1.091 10.546 -5.964 142 HD2 PHE 20 1HD PHE 20 1.519 7.198 -6.171 143 HE1 PHE 20 2HE PHE 20 -2.808 9.289 -7.197 144 HE2 PHE 20 1HE PHE 20 -0.189 5.936 -7.409 145 HZ PHE 20 HZ PHE 20 -2.359 6.982 -7.921 146 HB2 PHE 20 2HB PHE 20 1.293 10.759 -5.528 147 HB3 PHE 20 1HB PHE 20 2.350 9.357 -5.557 148 H ALA 21 HN ALA 21 1.574 12.009 -2.899 149 HA ALA 21 HA ALA 21 -1.207 12.729 -2.768 150 HB1 ALA 21 1HB ALA 21 -1.270 13.142 -0.346 151 HB2 ALA 21 2HB ALA 21 0.325 12.405 -0.187 152 HB3 ALA 21 3HB ALA 21 -1.049 11.430 -0.709 153 H GLU 22 HN GLU 22 -1.009 14.847 -0.989 154 HA GLU 22 HA GLU 22 0.460 16.693 -2.651 155 HB2 GLU 22 2HB GLU 22 -1.211 17.228 -0.189 156 HB3 GLU 22 1HB GLU 22 -0.645 18.427 -1.345 157 HG2 GLU 22 2HG GLU 22 -2.586 16.198 -1.912 158 HG3 GLU 22 1HG GLU 22 -2.986 17.904 -1.711 159 H THR 23 HN THR 23 0.745 15.263 0.523 160 HA THR 23 HA THR 23 3.327 16.630 0.833 161 HB THR 23 HB THR 23 2.891 16.784 3.307 162 HG1 THR 23 1HG THR 23 0.823 16.531 4.058 163 HG21 THR 23 3HG2 THR 23 2.739 18.764 1.900 164 HG22 THR 23 1HG2 THR 23 1.511 18.810 3.163 165 HG23 THR 23 2HG2 THR 23 1.061 18.378 1.513 166 H LYS 24 HN LYS 24 4.847 15.525 2.142 167 HA LYS 24 HA LYS 24 5.013 12.758 1.747 168 HB2 LYS 24 2HB LYS 24 6.875 14.400 2.228 169 HB3 LYS 24 1HB LYS 24 6.392 14.346 3.912 170 HG2 LYS 24 2HG LYS 24 6.764 11.830 3.759 171 HG3 LYS 24 1HG LYS 24 7.602 12.176 2.246 172 HD2 LYS 24 2HD LYS 24 8.298 13.204 4.995 173 HD3 LYS 24 1HD LYS 24 9.221 12.061 4.025 174 HE2 LYS 24 2HE LYS 24 10.381 14.037 3.702 175 HE3 LYS 24 1HE LYS 24 9.325 13.987 2.294 176 HZ1 LYS 24 3HZ LYS 24 8.805 15.538 4.780 177 HZ2 LYS 24 1HZ LYS 24 7.820 15.515 3.401 178 HZ3 LYS 24 2HZ LYS 24 9.372 16.186 3.322 179 H ASP 25 HN ASP 25 3.779 14.657 4.408 180 HA ASP 25 HA ASP 25 3.722 12.781 6.449 181 HB2 ASP 25 2HB ASP 25 3.190 15.208 6.673 182 HB3 ASP 25 1HB ASP 25 1.629 14.900 5.922 183 H ALA 26 HN ALA 26 1.303 13.375 3.910 184 HA ALA 26 HA ALA 26 -0.554 11.452 4.839 185 HB1 ALA 26 1HB ALA 26 -1.556 11.614 2.609 186 HB2 ALA 26 2HB ALA 26 -0.148 12.510 2.039 187 HB3 ALA 26 3HB ALA 26 -1.198 13.207 3.273 188 H LEU 27 HN LEU 27 2.109 11.322 2.529 189 HA LEU 27 HA LEU 27 1.851 8.674 1.680 190 HG LEU 27 HG LEU 27 3.067 9.118 -0.463 191 HB2 LEU 27 2HB LEU 27 4.144 10.581 1.949 192 HB3 LEU 27 1HB LEU 27 4.474 8.911 1.562 193 HD11 LEU 27 1HD1 LEU 27 2.361 11.322 -1.213 194 HD12 LEU 27 2HD1 LEU 27 2.921 12.024 0.305 195 HD13 LEU 27 3HD1 LEU 27 1.576 10.883 0.304 196 HD21 LEU 27 3HD2 LEU 27 4.618 10.465 -1.743 197 HD22 LEU 27 1HD2 LEU 27 5.492 9.496 -0.559 198 HD23 LEU 27 2HD2 LEU 27 5.223 11.212 -0.264 199 H GLU 28 HN GLU 28 3.706 10.027 4.396 200 HA GLU 28 HA GLU 28 4.743 7.635 5.379 201 HB2 GLU 28 2HB GLU 28 4.024 10.179 6.836 202 HB3 GLU 28 1HB GLU 28 5.018 8.894 7.492 203 HG2 GLU 28 2HG GLU 28 6.656 9.256 5.710 204 HG3 GLU 28 1HG GLU 28 5.657 10.568 5.082 205 H SER 29 HN SER 29 1.710 9.303 6.107 206 HA SER 29 HA SER 29 0.867 7.643 8.203 207 HG SER 29 HG SER 29 0.597 10.582 7.298 208 HB2 SER 29 2HB SER 29 -0.811 9.200 6.221 209 HB3 SER 29 1HB SER 29 -1.363 8.580 7.773 210 H GLU 30 HN GLU 30 0.023 7.569 4.740 211 HA GLU 30 HA GLU 30 -1.579 5.289 4.869 212 HB2 GLU 30 2HB GLU 30 -0.031 6.583 2.635 213 HB3 GLU 30 1HB GLU 30 -1.145 5.264 2.399 214 HG2 GLU 30 2HG GLU 30 -1.798 7.992 3.450 215 HG3 GLU 30 1HG GLU 30 -2.243 7.331 1.879 216 H LEU 31 HN LEU 31 1.862 5.740 4.195 217 HA LEU 31 HA LEU 31 2.550 3.128 3.487 218 HG LEU 31 HG LEU 31 5.223 2.784 4.787 219 HB2 LEU 31 2HB LEU 31 4.017 5.160 3.374 220 HB3 LEU 31 1HB LEU 31 4.226 5.045 5.105 221 HD11 LEU 31 1HD1 LEU 31 5.094 3.525 1.871 222 HD12 LEU 31 2HD1 LEU 31 4.235 2.200 2.660 223 HD13 LEU 31 3HD1 LEU 31 5.994 2.166 2.544 224 HD21 LEU 31 3HD2 LEU 31 6.582 5.052 3.338 225 HD22 LEU 31 1HD2 LEU 31 7.375 3.603 3.959 226 HD23 LEU 31 2HD2 LEU 31 6.630 4.748 5.075 227 H ALA 32 HN ALA 32 2.624 4.701 6.660 228 HA ALA 32 HA ALA 32 3.459 2.563 8.208 229 HB1 ALA 32 1HB ALA 32 1.480 4.695 9.010 230 HB2 ALA 32 2HB ALA 32 3.234 4.863 9.037 231 HB3 ALA 32 3HB ALA 32 2.445 3.700 10.102 232 H LYS 33 HN LYS 33 0.172 3.391 7.166 233 HA LYS 33 HA LYS 33 -1.164 1.422 8.653 234 HB2 LYS 33 2HB LYS 33 -1.904 2.810 6.079 235 HB3 LYS 33 1HB LYS 33 -2.995 1.786 6.994 236 HG2 LYS 33 2HG LYS 33 -1.721 4.319 7.996 237 HG3 LYS 33 1HG LYS 33 -3.384 4.154 7.429 238 HD2 LYS 33 2HD LYS 33 -3.841 2.561 9.231 239 HD3 LYS 33 1HD LYS 33 -2.174 2.711 9.792 240 HE2 LYS 33 2HE LYS 33 -2.538 5.081 10.254 241 HE3 LYS 33 1HE LYS 33 -4.193 4.949 9.660 242 HZ1 LYS 33 3HZ LYS 33 -4.666 3.383 11.442 243 HZ2 LYS 33 1HZ LYS 33 -4.122 4.863 12.065 244 HZ3 LYS 33 2HZ LYS 33 -3.078 3.527 12.020 245 H TYR 34 HN TYR 34 0.216 1.397 5.404 246 HA TYR 34 HA TYR 34 -0.754 -1.193 4.731 247 HD1 TYR 34 1HD TYR 34 -1.973 -0.828 3.149 248 HD2 TYR 34 2HD TYR 34 0.942 2.028 1.952 249 HE1 TYR 34 1HE TYR 34 -3.681 0.354 1.837 250 HE2 TYR 34 2HE TYR 34 -0.758 3.223 0.641 251 HH TYR 34 HH TYR 34 -4.027 2.737 0.999 252 HB2 TYR 34 2HB TYR 34 1.502 0.442 3.563 253 HB3 TYR 34 1HB TYR 34 0.952 -1.088 2.893 254 H ILE 35 HN ILE 35 2.289 0.005 6.075 255 HA ILE 35 HA ILE 35 3.658 -2.468 6.065 256 HB ILE 35 HB ILE 35 4.030 -0.087 7.895 257 HG12 ILE 35 2HG1 ILE 35 5.478 -0.914 5.366 258 HG13 ILE 35 1HG1 ILE 35 4.342 0.424 5.508 259 HG21 ILE 35 1HG2 ILE 35 4.996 -2.092 8.884 260 HG22 ILE 35 2HG2 ILE 35 6.271 -1.007 8.327 261 HG23 ILE 35 3HG2 ILE 35 5.856 -2.438 7.384 262 HD11 ILE 35 3HD1 ILE 35 7.012 0.193 6.877 263 HD12 ILE 35 1HD1 ILE 35 5.872 1.522 7.081 264 HD13 ILE 35 2HD1 ILE 35 6.615 1.233 5.509 265 H GLU 36 HN GLU 36 1.684 -0.853 8.538 266 HA GLU 36 HA GLU 36 1.871 -2.790 10.532 267 HB2 GLU 36 2HB GLU 36 0.909 -0.402 10.554 268 HB3 GLU 36 1HB GLU 36 -0.569 -1.125 9.946 269 HG2 GLU 36 2HG GLU 36 0.715 -2.096 12.461 270 HG3 GLU 36 1HG GLU 36 -0.336 -0.687 12.438 271 H LEU 37 HN LEU 37 -0.474 -2.382 7.916 272 HA LEU 37 HA LEU 37 -2.094 -4.588 8.467 273 HG LEU 37 HG LEU 37 -4.116 -4.005 7.279 274 HB2 LEU 37 2HB LEU 37 -2.150 -2.576 6.683 275 HB3 LEU 37 1HB LEU 37 -1.590 -3.863 5.635 276 HD11 LEU 37 1HD1 LEU 37 -5.301 -3.584 5.189 277 HD12 LEU 37 2HD1 LEU 37 -3.764 -3.348 4.357 278 HD13 LEU 37 3HD1 LEU 37 -4.267 -2.222 5.619 279 HD21 LEU 37 3HD2 LEU 37 -3.086 -5.719 5.015 280 HD22 LEU 37 1HD2 LEU 37 -4.663 -5.874 5.788 281 HD23 LEU 37 2HD2 LEU 37 -3.195 -6.186 6.714 282 H ALA 38 HN ALA 38 0.950 -4.290 6.750 283 HA ALA 38 HA ALA 38 0.934 -6.843 5.529 284 HB1 ALA 38 1HB ALA 38 3.294 -5.121 6.272 285 HB2 ALA 38 2HB ALA 38 2.386 -5.030 4.763 286 HB3 ALA 38 3HB ALA 38 3.313 -6.480 5.150 287 H LYS 39 HN LYS 39 2.284 -5.646 8.585 288 HA LYS 39 HA LYS 39 3.446 -8.120 9.354 289 HB2 LYS 39 2HB LYS 39 2.541 -5.836 11.114 290 HB3 LYS 39 1HB LYS 39 3.648 -7.117 11.566 291 HG2 LYS 39 2HG LYS 39 5.208 -6.300 9.802 292 HG3 LYS 39 1HG LYS 39 4.122 -4.927 9.565 293 HD2 LYS 39 2HD LYS 39 4.369 -4.470 12.038 294 HD3 LYS 39 1HD LYS 39 5.664 -5.668 12.039 295 HE2 LYS 39 2HE LYS 39 6.839 -4.346 10.324 296 HE3 LYS 39 1HE LYS 39 5.573 -3.122 10.429 297 HZ1 LYS 39 3HZ LYS 39 6.166 -3.112 12.918 298 HZ2 LYS 39 1HZ LYS 39 7.218 -2.334 11.836 299 HZ3 LYS 39 2HZ LYS 39 7.602 -3.871 12.437 300 H SER 40 HN SER 40 0.277 -6.756 9.586 301 HA SER 40 HA SER 40 -0.746 -8.480 11.583 302 HG SER 40 HG SER 40 -3.039 -7.942 11.973 303 HB2 SER 40 2HB SER 40 -1.800 -6.316 10.871 304 HB3 SER 40 1HB SER 40 -2.275 -7.094 9.363 305 H VAL 41 HN VAL 41 -0.438 -8.694 8.091 306 HA VAL 41 HA VAL 41 -1.968 -11.162 7.987 307 HB VAL 41 HB VAL 41 -0.524 -9.681 5.778 308 HG11 VAL 41 1HG1 VAL 41 -1.896 -11.076 4.273 309 HG12 VAL 41 2HG1 VAL 41 -2.461 -11.989 5.672 310 HG13 VAL 41 3HG1 VAL 41 -0.753 -12.021 5.229 311 HG21 VAL 41 3HG2 VAL 41 -2.748 -8.938 5.100 312 HG22 VAL 41 1HG2 VAL 41 -2.371 -8.397 6.737 313 HG23 VAL 41 2HG2 VAL 41 -3.455 -9.766 6.488 314 H CYS 42 HN CYS 42 1.400 -10.108 7.636 315 HA CYS 42 HA CYS 42 2.210 -12.922 7.610 316 HG CYS 42 HG CYS 42 4.034 -13.927 5.108 317 HB2 CYS 42 2HB CYS 42 2.309 -11.995 5.315 318 HB3 CYS 42 1HB CYS 42 3.394 -10.735 5.887 319 H ALA 43 HN ALA 43 3.852 -13.398 8.892 320 HA ALA 43 HA ALA 43 4.796 -11.396 10.735 321 HB1 ALA 43 1HB ALA 43 5.535 -14.310 10.512 322 HB2 ALA 43 2HB ALA 43 4.234 -13.651 11.504 323 HB3 ALA 43 3HB ALA 43 5.910 -13.242 11.864 324 H GLY 44 HN GLY 44 6.209 -13.396 8.179 325 HA2 GLY 44 2HA GLY 44 8.709 -11.855 8.456 326 HA3 GLY 44 1HA GLY 44 8.627 -13.509 7.867 327 H VAL 45 HN VAL 45 7.054 -10.426 7.123 328 HA VAL 45 HA VAL 45 7.214 -11.019 4.284 329 HB VAL 45 HB VAL 45 5.108 -10.160 5.129 330 HG11 VAL 45 1HG1 VAL 45 5.894 -8.901 7.042 331 HG12 VAL 45 2HG1 VAL 45 4.893 -7.883 6.007 332 HG13 VAL 45 3HG1 VAL 45 6.648 -7.714 5.977 333 HG21 VAL 45 3HG2 VAL 45 5.676 -9.577 2.848 334 HG22 VAL 45 1HG2 VAL 45 6.534 -8.138 3.403 335 HG23 VAL 45 2HG2 VAL 45 4.785 -8.255 3.603 336 H GLU 46 HN GLU 46 8.679 -10.153 2.927 337 HA GLU 46 HA GLU 46 10.529 -8.119 3.928 338 HB2 GLU 46 2HB GLU 46 10.483 -9.765 1.394 339 HB3 GLU 46 1HB GLU 46 11.597 -8.428 1.625 340 HG2 GLU 46 2HG GLU 46 12.838 -10.309 2.158 341 HG3 GLU 46 1HG GLU 46 12.366 -9.650 3.720 342 H TYR 47 HN TYR 47 10.603 -6.017 3.129 343 HA TYR 47 HA TYR 47 8.916 -5.399 0.839 344 HD1 TYR 47 2HD TYR 47 8.519 -5.458 5.002 345 HD2 TYR 47 1HD TYR 47 8.832 -1.727 2.978 346 HE1 TYR 47 2HE TYR 47 9.199 -4.374 7.106 347 HE2 TYR 47 1HE TYR 47 9.510 -0.640 5.072 348 HH TYR 47 HH TYR 47 9.285 -1.001 7.484 349 HB2 TYR 47 2HB TYR 47 7.768 -3.556 1.915 350 HB3 TYR 47 1HB TYR 47 7.441 -5.053 2.767 351 H ASN 48 HN ASN 48 9.398 -3.507 -0.211 352 HA ASN 48 HA ASN 48 11.865 -2.156 0.677 353 HB2 ASN 48 2HB ASN 48 10.986 -2.558 -2.184 354 HB3 ASN 48 1HB ASN 48 12.415 -1.693 -1.662 355 HD21 ASN 48 1HD2 ASN 48 13.083 -3.611 0.422 356 HD22 ASN 48 2HD2 ASN 48 13.697 -5.007 -0.398 357 H VAL 49 HN VAL 49 12.040 0.047 -0.139 358 HA VAL 49 HA VAL 49 9.487 1.405 -0.571 359 HB VAL 49 HB VAL 49 11.411 2.189 1.642 360 HG11 VAL 49 1HG1 VAL 49 8.768 3.383 0.825 361 HG12 VAL 49 2HG1 VAL 49 10.356 4.128 0.633 362 HG13 VAL 49 3HG1 VAL 49 9.701 3.848 2.248 363 HG21 VAL 49 3HG2 VAL 49 8.639 1.019 1.836 364 HG22 VAL 49 1HG2 VAL 49 9.598 1.620 3.190 365 HG23 VAL 49 2HG2 VAL 49 10.146 0.214 2.276 366 H SER 50 HN SER 50 9.747 3.440 -1.591 367 HA SER 50 HA SER 50 12.095 3.746 -3.159 368 HG SER 50 HG SER 50 10.068 4.218 -5.033 369 HB2 SER 50 2HB SER 50 9.822 5.691 -2.692 370 HB3 SER 50 1HB SER 50 11.023 5.799 -3.980 371 H GLU 51 HN GLU 51 12.926 6.209 -3.263 372 HA GLU 51 HA GLU 51 14.480 6.470 -0.878 373 HB2 GLU 51 2HB GLU 51 14.328 8.238 -3.320 374 HB3 GLU 51 1HB GLU 51 15.569 8.320 -2.075 375 HG2 GLU 51 2HG GLU 51 16.373 6.138 -2.649 376 HG3 GLU 51 1HG GLU 51 15.042 5.897 -3.778 377 H LEU 52 HN LEU 52 13.855 7.501 0.885 378 HA LEU 52 HA LEU 52 11.626 9.328 0.811 379 HG LEU 52 HG LEU 52 12.011 6.563 2.225 380 HB2 LEU 52 2HB LEU 52 13.362 8.423 3.105 381 HB3 LEU 52 1HB LEU 52 11.917 9.397 3.258 382 HD11 LEU 52 1HD1 LEU 52 10.792 6.053 4.315 383 HD12 LEU 52 2HD1 LEU 52 11.077 7.709 4.850 384 HD13 LEU 52 3HD1 LEU 52 12.438 6.617 4.592 385 HD21 LEU 52 3HD2 LEU 52 10.221 7.830 1.181 386 HD22 LEU 52 1HD2 LEU 52 9.675 8.394 2.760 387 HD23 LEU 52 2HD2 LEU 52 9.561 6.683 2.347 388 H THR 53 HN THR 53 11.911 11.338 0.271 389 HA THR 53 HA THR 53 14.112 12.871 1.442 390 HB THR 53 HB THR 53 14.240 14.128 -0.804 391 HG1 THR 53 1HG THR 53 12.404 12.287 -1.421 392 HG21 THR 53 3HG2 THR 53 15.272 11.297 -0.622 393 HG22 THR 53 1HG2 THR 53 16.069 12.740 0.002 394 HG23 THR 53 2HG2 THR 53 15.869 12.526 -1.738 395 H GLU 54 HN GLU 54 13.638 15.316 0.970 396 HA GLU 54 HA GLU 54 11.236 15.938 2.218 397 HB2 GLU 54 2HB GLU 54 11.778 18.226 1.859 398 HB3 GLU 54 1HB GLU 54 13.277 17.376 2.155 399 HG2 GLU 54 2HG GLU 54 12.252 18.260 -0.538 400 HG3 GLU 54 1HG GLU 54 13.499 19.065 0.410 401 H GLU 55 HN GLU 55 12.081 15.992 -1.222 402 HA GLU 55 HA GLU 55 9.264 16.544 -1.818 403 HB2 GLU 55 2HB GLU 55 11.803 17.057 -3.307 404 HB3 GLU 55 1HB GLU 55 10.280 16.948 -4.181 405 HG2 GLU 55 2HG GLU 55 10.858 18.837 -1.910 406 HG3 GLU 55 1HG GLU 55 10.860 19.257 -3.626 407 H SER 56 HN SER 56 9.895 13.917 -1.027 408 HA SER 56 HA SER 56 9.596 12.378 -3.455 409 HG SER 56 HG SER 56 11.272 10.490 -1.685 410 HB2 SER 56 2HB SER 56 9.051 11.551 -0.595 411 HB3 SER 56 1HB SER 56 9.211 10.487 -1.981 412 H LYS 57 HN LYS 57 7.802 13.133 -4.517 413 HA LYS 57 HA LYS 57 5.371 13.695 -3.062 414 HB2 LYS 57 2HB LYS 57 6.316 14.917 -5.151 415 HB3 LYS 57 1HB LYS 57 5.596 13.593 -6.056 416 HG2 LYS 57 2HG LYS 57 4.065 15.422 -6.048 417 HG3 LYS 57 1HG LYS 57 3.409 14.149 -5.018 418 HD2 LYS 57 2HD LYS 57 3.057 16.165 -3.843 419 HD3 LYS 57 1HD LYS 57 4.431 15.393 -3.057 420 HE2 LYS 57 2HE LYS 57 4.779 17.468 -5.204 421 HE3 LYS 57 1HE LYS 57 4.569 17.909 -3.513 422 HZ1 LYS 57 3HZ LYS 57 6.901 17.824 -4.061 423 HZ2 LYS 57 1HZ LYS 57 6.760 16.233 -4.633 424 HZ3 LYS 57 2HZ LYS 57 6.537 16.566 -2.985 425 H GLU 58 HN GLU 58 6.835 10.966 -4.086 426 HA GLU 58 HA GLU 58 4.495 9.385 -3.715 427 HB2 GLU 58 2HB GLU 58 4.408 8.274 -5.852 428 HB3 GLU 58 1HB GLU 58 4.218 9.999 -6.110 429 HG2 GLU 58 2HG GLU 58 6.860 8.611 -6.427 430 HG3 GLU 58 1HG GLU 58 5.687 8.723 -7.735 431 H LEU 59 HN LEU 59 4.991 7.127 -3.547 432 HA LEU 59 HA LEU 59 7.737 6.284 -3.902 433 HG LEU 59 HG LEU 59 5.933 4.792 -1.022 434 HB2 LEU 59 2HB LEU 59 8.202 5.630 -1.700 435 HB3 LEU 59 1HB LEU 59 7.586 7.259 -1.569 436 HD11 LEU 59 1HD1 LEU 59 6.257 5.294 1.331 437 HD12 LEU 59 2HD1 LEU 59 7.331 6.629 0.913 438 HD13 LEU 59 3HD1 LEU 59 7.799 4.970 0.543 439 HD21 LEU 59 3HD2 LEU 59 4.631 6.776 -1.624 440 HD22 LEU 59 1HD2 LEU 59 5.463 7.697 -0.372 441 HD23 LEU 59 2HD2 LEU 59 4.418 6.350 0.074 442 H THR 60 HN THR 60 7.970 4.046 -3.987 443 HA THR 60 HA THR 60 5.417 2.591 -4.197 444 HB THR 60 HB THR 60 8.006 1.954 -5.626 445 HG1 THR 60 1HG THR 60 5.646 3.169 -6.678 446 HG21 THR 60 3HG2 THR 60 5.196 0.923 -6.051 447 HG22 THR 60 1HG2 THR 60 6.511 0.031 -5.286 448 HG23 THR 60 2HG2 THR 60 6.622 0.477 -6.988 449 H ALA 61 HN ALA 61 5.117 1.251 -2.561 450 HA ALA 61 HA ALA 61 7.460 0.084 -1.231 451 HB1 ALA 61 1HB ALA 61 5.969 -0.400 0.629 452 HB2 ALA 61 2HB ALA 61 4.596 0.218 -0.289 453 HB3 ALA 61 3HB ALA 61 5.892 1.309 0.203 454 H ARG 62 HN ARG 62 8.003 -1.869 -1.912 455 HA ARG 62 HA ARG 62 5.937 -3.570 -3.122 456 HE ARG 62 HE ARG 62 6.686 -3.641 -6.506 457 HB2 ARG 62 2HB ARG 62 8.905 -4.104 -3.128 458 HB3 ARG 62 1HB ARG 62 7.680 -4.794 -4.182 459 HG2 ARG 62 2HG ARG 62 7.370 -2.244 -4.849 460 HG3 ARG 62 1HG ARG 62 9.053 -2.173 -4.317 461 HD2 ARG 62 2HD ARG 62 9.182 -2.649 -6.609 462 HD3 ARG 62 1HD ARG 62 9.423 -4.209 -5.819 463 HH11 ARG 62 1HH1 ARG 62 9.675 -5.114 -7.570 464 HH12 ARG 62 2HH1 ARG 62 8.908 -6.026 -8.829 465 HH21 ARG 62 1HH2 ARG 62 5.677 -4.842 -8.130 466 HH22 ARG 62 2HH2 ARG 62 6.627 -5.883 -9.163 467 H PHE 63 HN PHE 63 5.020 -5.026 -1.830 468 HA PHE 63 HA PHE 63 6.551 -6.072 0.448 469 HD1 PHE 63 2HD PHE 63 5.251 -5.237 2.986 470 HD2 PHE 63 1HD PHE 63 3.132 -3.897 -0.455 471 HE1 PHE 63 2HE PHE 63 4.929 -3.039 4.044 472 HE2 PHE 63 1HE PHE 63 2.805 -1.697 0.599 473 HZ PHE 63 HZ PHE 63 3.704 -1.267 2.852 474 HB2 PHE 63 2HB PHE 63 3.580 -6.224 -0.122 475 HB3 PHE 63 1HB PHE 63 4.375 -6.808 1.333 476 H LYS 64 HN LYS 64 7.344 -8.080 0.340 477 HA LYS 64 HA LYS 64 5.954 -10.013 -1.401 478 HB2 LYS 64 2HB LYS 64 8.231 -9.505 -2.235 479 HB3 LYS 64 1HB LYS 64 8.895 -10.017 -0.687 480 HG2 LYS 64 2HG LYS 64 7.997 -12.267 -1.048 481 HG3 LYS 64 1HG LYS 64 7.351 -11.751 -2.605 482 HD2 LYS 64 2HD LYS 64 9.631 -11.255 -3.373 483 HD3 LYS 64 1HD LYS 64 10.267 -11.819 -1.824 484 HE2 LYS 64 2HE LYS 64 9.254 -14.031 -2.258 485 HE3 LYS 64 1HE LYS 64 8.716 -13.451 -3.833 486 HZ1 LYS 64 3HZ LYS 64 11.504 -13.855 -2.905 487 HZ2 LYS 64 1HZ LYS 64 11.116 -13.000 -4.318 488 HZ3 LYS 64 2HZ LYS 64 10.704 -14.635 -4.183 489 H PHE 65 HN PHE 65 4.908 -11.451 -0.274 490 HA PHE 65 HA PHE 65 5.443 -11.743 2.560 491 HD1 PHE 65 1HD PHE 65 2.811 -10.866 -0.369 492 HD2 PHE 65 2HD PHE 65 2.761 -11.024 3.880 493 HE1 PHE 65 1HE PHE 65 1.632 -8.706 -0.307 494 HE2 PHE 65 2HE PHE 65 1.581 -8.869 3.950 495 HZ PHE 65 HZ PHE 65 1.017 -7.707 1.856 496 HB2 PHE 65 2HB PHE 65 3.265 -12.945 0.836 497 HB3 PHE 65 1HB PHE 65 3.319 -12.969 2.596 498 H GLU 66 HN GLU 66 4.751 -14.270 3.182 499 HA GLU 66 HA GLU 66 7.069 -15.742 2.292 500 HB2 GLU 66 2HB GLU 66 4.873 -16.350 4.271 501 HB3 GLU 66 1HB GLU 66 6.207 -17.437 3.932 502 HG2 GLU 66 2HG GLU 66 7.797 -15.811 4.729 503 HG3 GLU 66 1HG GLU 66 6.509 -14.631 4.959 504 H VAL 67 HN VAL 67 3.567 -15.932 2.024 505 HA VAL 67 HA VAL 67 3.919 -17.725 -0.273 506 HB VAL 67 HB VAL 67 1.866 -18.966 0.337 507 HG11 VAL 67 1HG1 VAL 67 4.032 -19.929 0.858 508 HG12 VAL 67 2HG1 VAL 67 2.866 -20.336 2.116 509 HG13 VAL 67 3HG1 VAL 67 4.064 -19.074 2.400 510 HG21 VAL 67 3HG2 VAL 67 1.040 -18.845 2.662 511 HG22 VAL 67 1HG2 VAL 67 0.785 -17.348 1.767 512 HG23 VAL 67 2HG2 VAL 67 2.098 -17.460 2.939 513 H SER 68 HN SER 68 2.018 -17.724 -1.725 514 HA SER 68 HA SER 68 1.276 -15.088 -2.353 515 HG SER 68 HG SER 68 1.672 -16.653 -5.158 516 HB2 SER 68 2HB SER 68 0.112 -17.679 -3.373 517 HB3 SER 68 1HB SER 68 -0.066 -16.100 -4.128 518 H ALA 69 HN ALA 69 -0.245 -17.563 -0.495 519 HA ALA 69 HA ALA 69 -2.893 -16.673 -0.473 520 HB1 ALA 69 1HB ALA 69 -3.130 -17.890 1.622 521 HB2 ALA 69 2HB ALA 69 -1.376 -17.977 1.784 522 HB3 ALA 69 3HB ALA 69 -2.183 -18.821 0.462 523 H GLU 70 HN GLU 70 -0.127 -15.690 1.482 524 HA GLU 70 HA GLU 70 -1.539 -13.937 3.198 525 HB2 GLU 70 2HB GLU 70 1.376 -13.942 2.391 526 HB3 GLU 70 1HB GLU 70 0.703 -13.068 3.756 527 HG2 GLU 70 2HG GLU 70 0.036 -15.187 4.779 528 HG3 GLU 70 1HG GLU 70 0.731 -16.057 3.413 529 H LYS 71 HN LYS 71 0.013 -13.592 0.087 530 HA LYS 71 HA LYS 71 -0.077 -10.789 -0.151 531 HB2 LYS 71 2HB LYS 71 1.040 -12.633 -1.647 532 HB3 LYS 71 1HB LYS 71 -0.493 -12.619 -2.493 533 HG2 LYS 71 2HG LYS 71 1.106 -10.114 -2.054 534 HG3 LYS 71 1HG LYS 71 1.345 -11.164 -3.452 535 HD2 LYS 71 2HD LYS 71 -1.363 -10.094 -2.726 536 HD3 LYS 71 1HD LYS 71 -0.230 -9.159 -3.702 537 HE2 LYS 71 2HE LYS 71 -1.008 -11.972 -4.413 538 HE3 LYS 71 1HE LYS 71 -1.948 -10.575 -4.938 539 HZ1 LYS 71 3HZ LYS 71 -0.067 -9.711 -6.092 540 HZ2 LYS 71 1HZ LYS 71 -0.282 -11.322 -6.583 541 HZ3 LYS 71 2HZ LYS 71 0.946 -10.928 -5.487 542 H LEU 72 HN LEU 72 -2.279 -13.308 -1.269 543 HA LEU 72 HA LEU 72 -4.255 -11.742 -2.415 544 HG LEU 72 HG LEU 72 -3.080 -14.581 -2.833 545 HB2 LEU 72 2HB LEU 72 -4.583 -14.330 -0.896 546 HB3 LEU 72 1HB LEU 72 -5.801 -13.622 -1.939 547 HD11 LEU 72 1HD1 LEU 72 -4.303 -16.382 -3.921 548 HD12 LEU 72 2HD1 LEU 72 -5.816 -15.774 -3.250 549 HD13 LEU 72 3HD1 LEU 72 -4.567 -16.406 -2.177 550 HD21 LEU 72 3HD2 LEU 72 -3.925 -14.221 -5.090 551 HD22 LEU 72 1HD2 LEU 72 -3.913 -12.713 -4.176 552 HD23 LEU 72 2HD2 LEU 72 -5.430 -13.575 -4.437 553 H ILE 73 HN ILE 73 -4.018 -12.784 0.985 554 HA ILE 73 HA ILE 73 -6.420 -11.627 1.864 555 HB ILE 73 HB ILE 73 -3.866 -12.060 3.431 556 HG12 ILE 73 2HG1 ILE 73 -6.321 -13.812 3.170 557 HG13 ILE 73 1HG1 ILE 73 -4.786 -14.104 2.357 558 HG21 ILE 73 1HG2 ILE 73 -5.331 -12.076 5.411 559 HG22 ILE 73 2HG2 ILE 73 -6.692 -11.615 4.388 560 HG23 ILE 73 3HG2 ILE 73 -5.328 -10.516 4.589 561 HD11 ILE 73 3HD1 ILE 73 -5.257 -14.105 5.330 562 HD12 ILE 73 1HD1 ILE 73 -3.700 -14.352 4.541 563 HD13 ILE 73 2HD1 ILE 73 -5.003 -15.517 4.302 564 H PHE 74 HN PHE 74 -3.130 -10.286 1.740 565 HA PHE 74 HA PHE 74 -3.716 -7.801 2.920 566 HD1 PHE 74 1HD PHE 74 -1.464 -6.558 4.005 567 HD2 PHE 74 2HD PHE 74 -1.184 -6.469 -0.238 568 HE1 PHE 74 1HE PHE 74 -0.599 -4.258 4.116 569 HE2 PHE 74 2HE PHE 74 -0.321 -4.167 -0.135 570 HZ PHE 74 HZ PHE 74 -0.029 -3.056 2.043 571 HB2 PHE 74 2HB PHE 74 -1.428 -8.637 2.603 572 HB3 PHE 74 1HB PHE 74 -1.608 -8.495 0.860 573 H GLU 75 HN GLU 75 -3.718 -8.839 -0.459 574 HA GLU 75 HA GLU 75 -4.427 -6.387 -1.621 575 HB2 GLU 75 2HB GLU 75 -4.948 -9.227 -2.494 576 HB3 GLU 75 1HB GLU 75 -5.313 -7.830 -3.494 577 HG2 GLU 75 2HG GLU 75 -2.571 -8.367 -2.410 578 HG3 GLU 75 1HG GLU 75 -3.136 -9.027 -3.943 579 H LEU 76 HN LEU 76 -6.430 -9.057 -0.417 580 HA LEU 76 HA LEU 76 -8.904 -8.066 -1.214 581 HG LEU 76 HG LEU 76 -7.856 -10.830 -1.326 582 HB2 LEU 76 2HB LEU 76 -8.005 -9.936 0.950 583 HB3 LEU 76 1HB LEU 76 -9.686 -9.567 0.698 584 HD11 LEU 76 1HD1 LEU 76 -10.121 -11.997 0.282 585 HD12 LEU 76 2HD1 LEU 76 -8.404 -12.332 0.509 586 HD13 LEU 76 3HD1 LEU 76 -9.212 -12.832 -0.978 587 HD21 LEU 76 3HD2 LEU 76 -10.810 -10.234 -1.462 588 HD22 LEU 76 1HD2 LEU 76 -9.896 -11.165 -2.650 589 HD23 LEU 76 2HD2 LEU 76 -9.542 -9.455 -2.408 590 H LYS 77 HN LYS 77 -7.042 -7.553 1.744 591 HA LYS 77 HA LYS 77 -9.105 -6.103 3.072 592 HB2 LYS 77 2HB LYS 77 -6.142 -6.333 3.574 593 HB3 LYS 77 1HB LYS 77 -7.209 -5.372 4.590 594 HG2 LYS 77 2HG LYS 77 -8.521 -7.389 5.086 595 HG3 LYS 77 1HG LYS 77 -7.396 -8.340 4.113 596 HD2 LYS 77 2HD LYS 77 -5.573 -7.755 5.599 597 HD3 LYS 77 1HD LYS 77 -6.643 -6.712 6.538 598 HE2 LYS 77 2HE LYS 77 -6.980 -9.688 6.196 599 HE3 LYS 77 1HE LYS 77 -6.252 -8.908 7.598 600 HZ1 LYS 77 3HZ LYS 77 -8.389 -7.721 7.917 601 HZ2 LYS 77 1HZ LYS 77 -8.516 -9.402 8.088 602 HZ3 LYS 77 2HZ LYS 77 -9.064 -8.655 6.672 603 H THR 78 HN THR 78 -6.345 -5.182 1.068 604 HA THR 78 HA THR 78 -6.567 -2.400 1.651 605 HB THR 78 HB THR 78 -5.087 -2.169 -0.432 606 HG1 THR 78 1HG THR 78 -4.570 -4.918 -0.135 607 HG21 THR 78 3HG2 THR 78 -3.109 -3.003 0.775 608 HG22 THR 78 1HG2 THR 78 -4.169 -3.875 1.885 609 HG23 THR 78 2HG2 THR 78 -4.199 -2.113 1.837 610 H ARG 79 HN ARG 79 -8.183 -4.500 -0.569 611 HA ARG 79 HA ARG 79 -8.921 -2.798 -2.605 612 HE ARG 79 HE ARG 79 -6.876 -4.356 -3.877 613 HB2 ARG 79 2HB ARG 79 -10.378 -5.076 -1.280 614 HB3 ARG 79 1HB ARG 79 -10.996 -4.250 -2.690 615 HG2 ARG 79 2HG ARG 79 -8.393 -5.740 -2.534 616 HG3 ARG 79 1HG ARG 79 -9.874 -6.319 -3.288 617 HD2 ARG 79 2HD ARG 79 -8.669 -5.538 -5.100 618 HD3 ARG 79 1HD ARG 79 -9.702 -4.163 -4.716 619 HH11 ARG 79 1HH1 ARG 79 -9.614 -2.497 -5.059 620 HH12 ARG 79 2HH1 ARG 79 -8.709 -1.012 -5.152 621 HH21 ARG 79 1HH2 ARG 79 -5.700 -2.410 -4.036 622 HH22 ARG 79 2HH2 ARG 79 -6.506 -0.963 -4.576 623 H SER 80 HN SER 80 -10.616 -3.370 0.483 624 HA SER 80 HA SER 80 -12.524 -1.307 -0.140 625 HG SER 80 HG SER 80 -13.308 -4.475 1.069 626 HB2 SER 80 2HB SER 80 -12.205 -3.134 2.242 627 HB3 SER 80 1HB SER 80 -13.536 -2.012 2.008 628 H LEU 81 HN LEU 81 -9.497 -1.455 1.350 629 HA LEU 81 HA LEU 81 -9.935 0.680 3.217 630 HG LEU 81 HG LEU 81 -6.787 1.392 2.617 631 HB2 LEU 81 2HB LEU 81 -8.305 -0.851 3.896 632 HB3 LEU 81 1HB LEU 81 -7.583 -0.937 2.301 633 HD11 LEU 81 1HD1 LEU 81 -8.379 2.079 4.342 634 HD12 LEU 81 2HD1 LEU 81 -6.715 2.318 4.873 635 HD13 LEU 81 3HD1 LEU 81 -7.641 0.943 5.473 636 HD21 LEU 81 3HD2 LEU 81 -4.930 0.766 4.085 637 HD22 LEU 81 1HD2 LEU 81 -5.319 -0.517 2.942 638 HD23 LEU 81 2HD2 LEU 81 -5.841 -0.647 4.622 639 H ALA 82 HN ALA 82 -8.358 0.208 0.085 640 HA ALA 82 HA ALA 82 -8.060 3.110 -0.219 641 HB1 ALA 82 1HB ALA 82 -7.023 0.862 -1.951 642 HB2 ALA 82 2HB ALA 82 -6.095 1.737 -0.732 643 HB3 ALA 82 3HB ALA 82 -6.683 2.578 -2.167 644 H ARG 83 HN ARG 83 -10.527 2.909 -0.209 645 HA ARG 83 HA ARG 83 -11.525 2.421 -2.935 646 HE ARG 83 HE ARG 83 -16.269 0.420 -2.839 647 HB2 ARG 83 2HB ARG 83 -12.048 0.557 -1.354 648 HB3 ARG 83 1HB ARG 83 -12.924 1.699 -0.351 649 HG2 ARG 83 2HG ARG 83 -14.561 2.040 -2.063 650 HG3 ARG 83 1HG ARG 83 -13.632 1.062 -3.206 651 HD2 ARG 83 2HD ARG 83 -13.924 -0.898 -1.786 652 HD3 ARG 83 1HD ARG 83 -14.817 0.070 -0.615 653 HH11 ARG 83 1HH1 ARG 83 -14.976 -2.491 -1.360 654 HH12 ARG 83 2HH1 ARG 83 -16.287 -3.494 -1.891 655 HH21 ARG 83 1HH2 ARG 83 -17.983 -0.882 -3.535 656 HH22 ARG 83 2HH2 ARG 83 -17.995 -2.583 -3.158 657 H LEU 84 HN LEU 84 -13.459 3.641 -3.474 658 HA LEU 84 HA LEU 84 -14.626 5.545 -3.686 659 HG LEU 84 HG LEU 84 -15.381 3.568 -1.276 660 HB2 LEU 84 2HB LEU 84 -14.367 5.739 -0.694 661 HB3 LEU 84 1HB LEU 84 -15.532 6.542 -1.714 662 HD11 LEU 84 1HD1 LEU 84 -17.467 3.853 -0.046 663 HD12 LEU 84 2HD1 LEU 84 -17.372 5.600 -0.273 664 HD13 LEU 84 3HD1 LEU 84 -16.158 4.771 0.701 665 HD21 LEU 84 3HD2 LEU 84 -16.199 4.152 -3.506 666 HD22 LEU 84 1HD2 LEU 84 -17.401 5.224 -2.787 667 HD23 LEU 84 2HD2 LEU 84 -17.487 3.485 -2.503 668 H GLU 85 HN GLU 85 -12.092 5.832 -4.307 669 HA GLU 85 HA GLU 85 -10.689 7.842 -2.864 670 HB2 GLU 85 2HB GLU 85 -10.270 6.932 -5.710 671 HB3 GLU 85 1HB GLU 85 -9.130 7.832 -4.726 672 HG2 GLU 85 2HG GLU 85 -8.868 5.950 -3.240 673 HG3 GLU 85 1HG GLU 85 -10.084 5.039 -4.140 674 H HIS 86 HN HIS 86 -10.064 9.909 -3.716 675 HA HIS 86 HA HIS 86 -11.484 10.975 -5.983 676 HD1 HIS 86 1HD HIS 86 -11.551 14.479 -2.981 677 HD2 HIS 86 2HD HIS 86 -11.991 10.546 -1.689 678 HE1 HIS 86 1HE HIS 86 -11.113 14.523 -0.506 679 HE2 HIS 86 2HE HIS 86 -11.543 12.167 0.278 680 HB2 HIS 86 2HB HIS 86 -12.321 12.983 -4.798 681 HB3 HIS 86 1HB HIS 86 -13.117 11.506 -4.279 682 H HIS 87 HN HIS 87 -9.484 11.074 -6.905 683 HA HIS 87 HA HIS 87 -7.339 12.523 -5.604 684 HD1 HIS 87 1HD HIS 87 -4.458 10.623 -6.582 685 HD2 HIS 87 2HD HIS 87 -8.267 8.947 -6.622 686 HE1 HIS 87 1HE HIS 87 -4.215 8.341 -5.536 687 HE2 HIS 87 2HE HIS 87 -6.519 7.311 -5.633 688 HB2 HIS 87 2HB HIS 87 -7.545 11.247 -8.337 689 HB3 HIS 87 1HB HIS 87 -6.104 12.064 -7.744 690 H HIS 88 HN HIS 88 -8.740 14.442 -5.444 691 HA HIS 88 HA HIS 88 -9.246 16.587 -5.991 692 HD1 HIS 88 1HD HIS 88 -5.150 15.479 -7.365 693 HD2 HIS 88 2HD HIS 88 -7.054 18.306 -4.977 694 HE1 HIS 88 1HE HIS 88 -3.512 16.046 -5.544 695 HE2 HIS 88 2HE HIS 88 -4.626 17.871 -4.207 696 HB2 HIS 88 2HB HIS 88 -7.324 16.174 -8.296 697 HB3 HIS 88 1HB HIS 88 -7.943 17.725 -7.740 698 H HIS 89 HN HIS 89 -10.001 17.986 -7.988 699 HA HIS 89 HA HIS 89 -11.371 18.345 -9.759 700 HD1 HIS 89 1HD HIS 89 -8.270 15.388 -11.743 701 HD2 HIS 89 2HD HIS 89 -9.256 19.297 -10.708 702 HE1 HIS 89 1HE HIS 89 -6.171 16.734 -12.086 703 HE2 HIS 89 2HE HIS 89 -6.745 19.056 -11.293 704 HB2 HIS 89 2HB HIS 89 -10.522 15.572 -10.624 705 HB3 HIS 89 1HB HIS 89 -11.237 16.810 -11.654 706 H HIS 90 HN HIS 90 -12.449 17.087 -7.326 707 HA HIS 90 HA HIS 90 -14.465 15.229 -8.150 708 HD1 HIS 90 1HD HIS 90 -15.948 16.260 -3.770 709 HD2 HIS 90 2HD HIS 90 -16.468 14.080 -7.279 710 HE1 HIS 90 1HE HIS 90 -18.152 15.070 -3.518 711 HE2 HIS 90 2HE HIS 90 -18.415 13.697 -5.615 712 HB2 HIS 90 2HB HIS 90 -13.660 15.274 -5.826 713 HB3 HIS 90 1HB HIS 90 -14.297 16.903 -5.632 714 H HIS 91 HN HIS 91 -15.505 16.130 -9.844 715 HA HIS 91 HA HIS 91 -16.779 18.709 -9.595 716 HD1 HIS 91 1HD HIS 91 -14.560 16.105 -12.238 717 HD2 HIS 91 2HD HIS 91 -18.691 15.640 -12.446 718 HE1 HIS 91 1HE HIS 91 -14.941 13.834 -13.246 719 HE2 HIS 91 2HE HIS 91 -17.437 13.504 -13.203 720 HB2 HIS 91 2HB HIS 91 -17.598 18.214 -11.927 721 HB3 HIS 91 1HB HIS 91 -15.849 18.253 -11.748 Start of MODEL 6 1 HA ALA 1 HA ALA 1 5.725 0.462 -9.062 2 H1 ALA 1 1HT ALA 1 3.676 -0.631 -8.464 3 H2 ALA 1 2HT ALA 1 2.878 0.080 -9.781 4 H3 ALA 1 3HT ALA 1 3.464 1.048 -8.522 5 HB1 ALA 1 2HB ALA 1 5.225 -1.782 -9.927 6 HB2 ALA 1 3HB ALA 1 6.224 -0.849 -11.042 7 HB3 ALA 1 1HB ALA 1 4.502 -1.055 -11.361 8 H GLY 2 HN GLY 2 6.923 1.431 -10.917 9 HA2 GLY 2 2HA GLY 2 5.395 3.019 -12.797 10 HA3 GLY 2 1HA GLY 2 6.278 3.946 -11.585 11 H GLU 3 HN GLU 3 8.417 4.328 -11.905 12 HA GLU 3 HA GLU 3 9.759 3.035 -14.109 13 HB2 GLU 3 2HB GLU 3 10.353 5.298 -12.244 14 HB3 GLU 3 1HB GLU 3 11.640 4.556 -13.159 15 HG2 GLU 3 2HG GLU 3 10.393 5.026 -15.239 16 HG3 GLU 3 1HG GLU 3 9.184 5.868 -14.272 17 H ILE 4 HN ILE 4 12.210 2.465 -13.475 18 HA ILE 4 HA ILE 4 11.937 0.254 -11.665 19 HB ILE 4 HB ILE 4 14.576 1.198 -12.744 20 HG12 ILE 4 2HG1 ILE 4 12.986 1.121 -14.642 21 HG13 ILE 4 1HG1 ILE 4 14.206 -0.143 -14.760 22 HG21 ILE 4 1HG2 ILE 4 13.505 -1.534 -12.078 23 HG22 ILE 4 2HG2 ILE 4 14.647 -0.594 -11.117 24 HG23 ILE 4 3HG2 ILE 4 15.115 -1.190 -12.710 25 HD11 ILE 4 3HD1 ILE 4 11.373 -0.499 -13.801 26 HD12 ILE 4 1HD1 ILE 4 12.592 -1.770 -13.912 27 HD13 ILE 4 2HD1 ILE 4 12.013 -0.973 -15.375 28 H GLY 5 HN GLY 5 13.340 -0.137 -9.905 29 HA2 GLY 5 2HA GLY 5 14.980 1.416 -8.448 30 HA3 GLY 5 1HA GLY 5 13.396 2.101 -8.088 31 H PHE 6 HN PHE 6 14.156 -1.223 -8.806 32 HA PHE 6 HA PHE 6 12.937 -1.973 -6.233 33 HD1 PHE 6 1HD PHE 6 12.031 -0.838 -9.226 34 HD2 PHE 6 2HD PHE 6 9.988 -4.191 -7.594 35 HE1 PHE 6 1HE PHE 6 9.884 0.139 -9.918 36 HE2 PHE 6 2HE PHE 6 7.834 -3.218 -8.278 37 HZ PHE 6 HZ PHE 6 7.777 -1.045 -9.435 38 HB2 PHE 6 2HB PHE 6 12.982 -3.532 -8.822 39 HB3 PHE 6 1HB PHE 6 12.247 -4.065 -7.330 40 H ILE 7 HN ILE 7 13.857 -3.624 -5.063 41 HA ILE 7 HA ILE 7 16.476 -4.618 -5.942 42 HB ILE 7 HB ILE 7 15.207 -4.880 -3.204 43 HG12 ILE 7 2HG1 ILE 7 17.274 -2.897 -4.181 44 HG13 ILE 7 1HG1 ILE 7 15.618 -2.521 -3.720 45 HG21 ILE 7 1HG2 ILE 7 17.485 -5.455 -2.482 46 HG22 ILE 7 2HG2 ILE 7 18.031 -5.356 -4.155 47 HG23 ILE 7 3HG2 ILE 7 16.865 -6.590 -3.680 48 HD11 ILE 7 3HD1 ILE 7 16.093 -3.177 -1.430 49 HD12 ILE 7 1HD1 ILE 7 17.202 -1.917 -1.973 50 HD13 ILE 7 2HD1 ILE 7 17.747 -3.592 -1.881 51 H ILE 8 HN ILE 8 13.423 -5.592 -4.485 52 HA ILE 8 HA ILE 8 13.646 -8.224 -5.766 53 HB ILE 8 HB ILE 8 11.808 -7.239 -3.571 54 HG12 ILE 8 2HG1 ILE 8 13.997 -9.319 -3.520 55 HG13 ILE 8 1HG1 ILE 8 14.178 -7.667 -2.941 56 HG21 ILE 8 1HG2 ILE 8 10.632 -8.829 -4.981 57 HG22 ILE 8 2HG2 ILE 8 11.015 -9.562 -3.423 58 HG23 ILE 8 3HG2 ILE 8 11.971 -9.970 -4.849 59 HD11 ILE 8 3HD1 ILE 8 12.292 -9.731 -1.827 60 HD12 ILE 8 1HD1 ILE 8 12.459 -8.071 -1.254 61 HD13 ILE 8 2HD1 ILE 8 13.808 -9.196 -1.100 62 H LYS 9 HN LYS 9 12.327 -8.714 -7.422 63 HA LYS 9 HA LYS 9 10.534 -6.616 -8.381 64 HB2 LYS 9 2HB LYS 9 11.614 -9.113 -9.695 65 HB3 LYS 9 1HB LYS 9 10.503 -7.994 -10.466 66 HG2 LYS 9 2HG LYS 9 12.146 -6.213 -10.290 67 HG3 LYS 9 1HG LYS 9 13.257 -7.313 -9.472 68 HD2 LYS 9 2HD LYS 9 13.307 -8.738 -11.463 69 HD3 LYS 9 1HD LYS 9 12.205 -7.626 -12.281 70 HE2 LYS 9 2HE LYS 9 14.518 -7.233 -12.950 71 HE3 LYS 9 1HE LYS 9 13.855 -5.840 -12.097 72 HZ1 LYS 9 3HZ LYS 9 14.949 -6.778 -10.056 73 HZ2 LYS 9 1HZ LYS 9 16.007 -6.193 -11.241 74 HZ3 LYS 9 2HZ LYS 9 15.765 -7.858 -11.066 75 H GLU 10 HN GLU 10 8.631 -7.791 -9.752 76 HA GLU 10 HA GLU 10 6.777 -8.669 -7.869 77 HB2 GLU 10 2HB GLU 10 6.905 -8.544 -10.831 78 HB3 GLU 10 1HB GLU 10 5.665 -9.553 -10.120 79 HG2 GLU 10 2HG GLU 10 6.062 -6.649 -9.463 80 HG3 GLU 10 1HG GLU 10 4.916 -7.259 -10.657 81 H GLY 11 HN GLY 11 5.568 -10.706 -7.977 82 HA2 GLY 11 2HA GLY 11 6.568 -13.123 -8.912 83 HA3 GLY 11 1HA GLY 11 7.273 -12.851 -7.319 84 H ASP 12 HN ASP 12 5.864 -14.940 -7.133 85 HA ASP 12 HA ASP 12 3.043 -14.583 -7.038 86 HB2 ASP 12 2HB ASP 12 4.919 -16.771 -6.603 87 HB3 ASP 12 1HB ASP 12 3.540 -16.824 -5.510 88 H GLU 13 HN GLU 13 5.592 -14.236 -4.723 89 HA GLU 13 HA GLU 13 3.592 -13.906 -2.591 90 HB2 GLU 13 2HB GLU 13 5.417 -14.246 -0.993 91 HB3 GLU 13 1HB GLU 13 5.270 -15.600 -2.099 92 HG2 GLU 13 2HG GLU 13 7.280 -13.393 -2.455 93 HG3 GLU 13 1HG GLU 13 7.607 -14.870 -1.550 94 H VAL 14 HN VAL 14 5.186 -12.051 -4.729 95 HA VAL 14 HA VAL 14 5.784 -9.919 -2.799 96 HB VAL 14 HB VAL 14 6.575 -10.091 -5.711 97 HG11 VAL 14 1HG1 VAL 14 6.383 -7.792 -4.914 98 HG12 VAL 14 2HG1 VAL 14 8.072 -8.221 -5.190 99 HG13 VAL 14 3HG1 VAL 14 7.433 -8.169 -3.547 100 HG21 VAL 14 3HG2 VAL 14 8.186 -10.611 -3.215 101 HG22 VAL 14 1HG2 VAL 14 8.840 -10.531 -4.851 102 HG23 VAL 14 2HG2 VAL 14 7.699 -11.805 -4.419 103 H ALA 15 HN ALA 15 4.335 -8.370 -2.543 104 HA ALA 15 HA ALA 15 2.552 -7.707 -4.801 105 HB1 ALA 15 1HB ALA 15 0.850 -7.116 -3.279 106 HB2 ALA 15 2HB ALA 15 1.966 -7.101 -1.915 107 HB3 ALA 15 3HB ALA 15 1.515 -8.628 -2.663 108 H ASP 16 HN ASP 16 3.271 -5.902 -5.787 109 HA ASP 16 HA ASP 16 4.627 -3.857 -4.232 110 HB2 ASP 16 2HB ASP 16 5.549 -4.416 -6.423 111 HB3 ASP 16 1HB ASP 16 4.028 -3.982 -7.191 112 H VAL 17 HN VAL 17 3.863 -1.948 -3.748 113 HA VAL 17 HA VAL 17 1.102 -1.248 -4.520 114 HB VAL 17 HB VAL 17 2.297 -0.903 -1.757 115 HG11 VAL 17 1HG1 VAL 17 -0.495 -0.393 -2.771 116 HG12 VAL 17 2HG1 VAL 17 0.681 0.828 -2.283 117 HG13 VAL 17 3HG1 VAL 17 0.017 -0.285 -1.088 118 HG21 VAL 17 3HG2 VAL 17 0.722 -2.625 -1.021 119 HG22 VAL 17 1HG2 VAL 17 1.861 -3.258 -2.207 120 HG23 VAL 17 2HG2 VAL 17 0.210 -2.872 -2.691 121 H THR 18 HN THR 18 0.693 0.958 -4.721 122 HA THR 18 HA THR 18 3.039 2.718 -4.515 123 HB THR 18 HB THR 18 1.098 2.688 -6.838 124 HG1 THR 18 1HG THR 18 3.088 1.067 -6.369 125 HG21 THR 18 3HG2 THR 18 2.653 4.263 -7.875 126 HG22 THR 18 1HG2 THR 18 3.682 4.213 -6.446 127 HG23 THR 18 2HG2 THR 18 2.065 4.910 -6.341 128 H ILE 19 HN ILE 19 2.545 4.188 -3.050 129 HA ILE 19 HA ILE 19 -0.256 5.003 -2.696 130 HB ILE 19 HB ILE 19 2.032 5.645 -0.846 131 HG12 ILE 19 2HG1 ILE 19 0.171 3.264 -0.628 132 HG13 ILE 19 1HG1 ILE 19 1.838 3.168 -1.187 133 HG21 ILE 19 1HG2 ILE 19 0.229 5.849 0.822 134 HG22 ILE 19 2HG2 ILE 19 -0.953 5.508 -0.444 135 HG23 ILE 19 3HG2 ILE 19 0.031 6.969 -0.527 136 HD11 ILE 19 3HD1 ILE 19 0.943 4.076 1.541 137 HD12 ILE 19 1HD1 ILE 19 2.614 3.974 0.985 138 HD13 ILE 19 2HD1 ILE 19 1.645 2.508 1.143 139 H PHE 20 HN PHE 20 -0.857 7.131 -2.849 140 HA PHE 20 HA PHE 20 1.167 9.150 -3.353 141 HD1 PHE 20 1HD PHE 20 -2.648 9.956 -5.106 142 HD2 PHE 20 2HD PHE 20 -0.426 6.435 -5.982 143 HE1 PHE 20 1HE PHE 20 -4.710 8.846 -5.861 144 HE2 PHE 20 2HE PHE 20 -2.483 5.317 -6.734 145 HZ PHE 20 HZ PHE 20 -4.630 6.524 -6.677 146 HB2 PHE 20 2HB PHE 20 -0.216 9.994 -5.298 147 HB3 PHE 20 1HB PHE 20 0.692 8.519 -5.588 148 H ALA 21 HN ALA 21 0.455 11.283 -3.016 149 HA ALA 21 HA ALA 21 -2.202 11.906 -2.189 150 HB1 ALA 21 1HB ALA 21 -1.734 12.418 0.146 151 HB2 ALA 21 2HB ALA 21 -0.094 11.799 -0.035 152 HB3 ALA 21 3HB ALA 21 -1.470 10.706 -0.182 153 H GLU 22 HN GLU 22 -1.863 14.162 -0.771 154 HA GLU 22 HA GLU 22 -0.811 15.963 -2.697 155 HB2 GLU 22 2HB GLU 22 -1.973 16.306 0.055 156 HB3 GLU 22 1HB GLU 22 -1.341 17.672 -0.856 157 HG2 GLU 22 2HG GLU 22 -3.532 15.829 -1.779 158 HG3 GLU 22 1HG GLU 22 -3.765 17.431 -1.082 159 H THR 23 HN THR 23 0.389 14.696 0.352 160 HA THR 23 HA THR 23 2.936 16.043 -0.120 161 HB THR 23 HB THR 23 2.995 16.595 2.390 162 HG1 THR 23 1HG THR 23 0.652 17.182 2.979 163 HG21 THR 23 3HG2 THR 23 1.904 18.775 2.027 164 HG22 THR 23 1HG2 THR 23 1.192 18.157 0.536 165 HG23 THR 23 2HG2 THR 23 2.943 18.318 0.678 166 H LYS 24 HN LYS 24 4.668 15.251 1.246 167 HA LYS 24 HA LYS 24 4.859 12.466 1.395 168 HB2 LYS 24 2HB LYS 24 6.774 14.052 1.330 169 HB3 LYS 24 1HB LYS 24 6.418 14.513 2.984 170 HG2 LYS 24 2HG LYS 24 6.745 12.060 3.578 171 HG3 LYS 24 1HG LYS 24 7.448 11.886 1.967 172 HD2 LYS 24 2HD LYS 24 9.059 13.673 2.512 173 HD3 LYS 24 1HD LYS 24 8.385 13.755 4.141 174 HE2 LYS 24 2HE LYS 24 8.973 11.339 4.413 175 HE3 LYS 24 1HE LYS 24 9.813 11.426 2.865 176 HZ1 LYS 24 3HZ LYS 24 11.422 11.759 4.560 177 HZ2 LYS 24 1HZ LYS 24 10.455 12.909 5.351 178 HZ3 LYS 24 2HZ LYS 24 11.146 13.281 3.854 179 H ASP 25 HN ASP 25 3.961 14.854 3.773 180 HA ASP 25 HA ASP 25 3.960 13.438 6.140 181 HB2 ASP 25 2HB ASP 25 3.463 15.830 5.983 182 HB3 ASP 25 1HB ASP 25 1.947 15.482 5.164 183 H ALA 26 HN ALA 26 1.423 13.557 3.666 184 HA ALA 26 HA ALA 26 -0.351 11.816 5.035 185 HB1 ALA 26 1HB ALA 26 -1.575 11.695 2.937 186 HB2 ALA 26 2HB ALA 26 -0.218 12.434 2.085 187 HB3 ALA 26 3HB ALA 26 -1.114 13.361 3.288 188 H LEU 27 HN LEU 27 2.049 11.322 2.474 189 HA LEU 27 HA LEU 27 1.727 8.610 1.991 190 HG LEU 27 HG LEU 27 2.922 8.656 -0.237 191 HB2 LEU 27 2HB LEU 27 4.039 10.490 1.885 192 HB3 LEU 27 1HB LEU 27 4.362 8.779 1.750 193 HD11 LEU 27 1HD1 LEU 27 2.122 10.711 -1.287 194 HD12 LEU 27 2HD1 LEU 27 2.677 11.638 0.107 195 HD13 LEU 27 3HD1 LEU 27 1.378 10.460 0.293 196 HD21 LEU 27 3HD2 LEU 27 4.394 9.952 -1.728 197 HD22 LEU 27 1HD2 LEU 27 5.290 9.028 -0.523 198 HD23 LEU 27 2HD2 LEU 27 5.071 10.765 -0.319 199 H GLU 28 HN GLU 28 3.757 10.223 4.388 200 HA GLU 28 HA GLU 28 4.940 8.000 5.555 201 HB2 GLU 28 2HB GLU 28 4.228 10.724 6.637 202 HB3 GLU 28 1HB GLU 28 5.195 9.572 7.528 203 HG2 GLU 28 2HG GLU 28 5.978 10.431 4.777 204 HG3 GLU 28 1HG GLU 28 6.387 11.397 6.193 205 H SER 29 HN SER 29 1.819 9.503 6.172 206 HA SER 29 HA SER 29 1.289 7.959 8.524 207 HG SER 29 HG SER 29 0.964 10.929 7.655 208 HB2 SER 29 2HB SER 29 -0.587 9.575 6.779 209 HB3 SER 29 1HB SER 29 -0.946 8.961 8.390 210 H GLU 30 HN GLU 30 0.145 7.863 5.150 211 HA GLU 30 HA GLU 30 -1.594 5.688 5.456 212 HB2 GLU 30 2HB GLU 30 -0.124 6.697 3.019 213 HB3 GLU 30 1HB GLU 30 -1.505 5.636 3.015 214 HG2 GLU 30 2HG GLU 30 -1.471 8.464 4.014 215 HG3 GLU 30 1HG GLU 30 -2.134 7.924 2.475 216 H LEU 31 HN LEU 31 1.810 5.916 4.516 217 HA LEU 31 HA LEU 31 2.278 3.286 3.735 218 HG LEU 31 HG LEU 31 4.997 2.710 4.856 219 HB2 LEU 31 2HB LEU 31 3.876 5.228 3.629 220 HB3 LEU 31 1HB LEU 31 4.172 4.998 5.334 221 HD11 LEU 31 1HD1 LEU 31 4.714 3.567 1.984 222 HD12 LEU 31 2HD1 LEU 31 3.818 2.281 2.790 223 HD13 LEU 31 3HD1 LEU 31 5.556 2.124 2.544 224 HD21 LEU 31 3HD2 LEU 31 6.542 4.585 5.098 225 HD22 LEU 31 1HD2 LEU 31 6.412 4.918 3.370 226 HD23 LEU 31 2HD2 LEU 31 7.137 3.408 3.926 227 H ALA 32 HN ALA 32 2.396 4.753 6.927 228 HA ALA 32 HA ALA 32 3.235 2.564 8.426 229 HB1 ALA 32 1HB ALA 32 1.309 4.718 9.282 230 HB2 ALA 32 2HB ALA 32 3.067 4.849 9.307 231 HB3 ALA 32 3HB ALA 32 2.255 3.679 10.347 232 H LYS 33 HN LYS 33 0.014 3.417 7.275 233 HA LYS 33 HA LYS 33 -1.413 1.450 8.720 234 HB2 LYS 33 2HB LYS 33 -2.089 2.756 6.077 235 HB3 LYS 33 1HB LYS 33 -3.209 1.922 7.130 236 HG2 LYS 33 2HG LYS 33 -1.763 4.482 7.742 237 HG3 LYS 33 1HG LYS 33 -3.474 4.305 7.350 238 HD2 LYS 33 2HD LYS 33 -3.721 2.879 9.382 239 HD3 LYS 33 1HD LYS 33 -2.046 3.256 9.793 240 HE2 LYS 33 2HE LYS 33 -3.467 4.734 11.027 241 HE3 LYS 33 1HE LYS 33 -2.658 5.672 9.773 242 HZ1 LYS 33 3HZ LYS 33 -5.427 4.608 9.602 243 HZ2 LYS 33 1HZ LYS 33 -4.656 5.567 8.430 244 HZ3 LYS 33 2HZ LYS 33 -5.019 6.214 9.959 245 H TYR 34 HN TYR 34 0.098 1.498 5.532 246 HA TYR 34 HA TYR 34 -0.812 -1.073 4.742 247 HD1 TYR 34 1HD TYR 34 -0.498 2.388 3.421 248 HD2 TYR 34 2HD TYR 34 -0.507 -1.453 1.594 249 HE1 TYR 34 1HE TYR 34 -2.227 3.147 1.846 250 HE2 TYR 34 2HE TYR 34 -2.232 -0.703 0.014 251 HH TYR 34 HH TYR 34 -3.053 2.542 -0.422 252 HB2 TYR 34 2HB TYR 34 1.360 0.758 3.764 253 HB3 TYR 34 1HB TYR 34 1.215 -0.877 3.126 254 H ILE 35 HN ILE 35 2.166 0.058 6.307 255 HA ILE 35 HA ILE 35 3.470 -2.435 6.431 256 HB ILE 35 HB ILE 35 3.641 -0.129 8.384 257 HG12 ILE 35 2HG1 ILE 35 5.393 -0.824 6.014 258 HG13 ILE 35 1HG1 ILE 35 4.202 0.472 6.048 259 HG21 ILE 35 1HG2 ILE 35 5.825 -1.079 8.998 260 HG22 ILE 35 2HG2 ILE 35 5.504 -2.462 7.951 261 HG23 ILE 35 3HG2 ILE 35 4.495 -2.175 9.370 262 HD11 ILE 35 3HD1 ILE 35 6.480 1.296 6.369 263 HD12 ILE 35 1HD1 ILE 35 6.633 0.295 7.814 264 HD13 ILE 35 2HD1 ILE 35 5.463 1.614 7.775 265 H GLU 36 HN GLU 36 1.113 -0.882 8.527 266 HA GLU 36 HA GLU 36 1.060 -2.784 10.574 267 HB2 GLU 36 2HB GLU 36 -0.678 -0.592 9.609 268 HB3 GLU 36 1HB GLU 36 -1.436 -1.787 10.636 269 HG2 GLU 36 2HG GLU 36 1.020 -0.199 11.331 270 HG3 GLU 36 1HG GLU 36 -0.615 0.138 11.898 271 H LEU 37 HN LEU 37 -0.843 -2.505 7.604 272 HA LEU 37 HA LEU 37 -2.425 -4.807 8.047 273 HG LEU 37 HG LEU 37 -3.126 -2.041 6.874 274 HB2 LEU 37 2HB LEU 37 -1.631 -3.401 5.499 275 HB3 LEU 37 1HB LEU 37 -2.768 -4.732 5.555 276 HD11 LEU 37 1HD1 LEU 37 -3.357 -1.949 4.463 277 HD12 LEU 37 2HD1 LEU 37 -4.933 -1.778 5.237 278 HD13 LEU 37 3HD1 LEU 37 -4.474 -3.312 4.498 279 HD21 LEU 37 3HD2 LEU 37 -5.383 -2.837 7.395 280 HD22 LEU 37 1HD2 LEU 37 -4.148 -3.808 8.197 281 HD23 LEU 37 2HD2 LEU 37 -4.966 -4.430 6.761 282 H ALA 38 HN ALA 38 0.752 -4.293 6.681 283 HA ALA 38 HA ALA 38 1.043 -6.771 5.367 284 HB1 ALA 38 1HB ALA 38 2.504 -4.852 4.933 285 HB2 ALA 38 2HB ALA 38 3.434 -6.286 5.367 286 HB3 ALA 38 3HB ALA 38 3.184 -5.004 6.553 287 H LYS 39 HN LYS 39 1.931 -5.692 8.620 288 HA LYS 39 HA LYS 39 3.022 -8.170 9.448 289 HB2 LYS 39 2HB LYS 39 1.924 -5.838 11.013 290 HB3 LYS 39 1HB LYS 39 2.730 -7.216 11.747 291 HG2 LYS 39 2HG LYS 39 4.765 -6.708 10.547 292 HG3 LYS 39 1HG LYS 39 3.962 -5.371 9.719 293 HD2 LYS 39 2HD LYS 39 3.670 -4.192 11.789 294 HD3 LYS 39 1HD LYS 39 4.282 -5.566 12.710 295 HE2 LYS 39 2HE LYS 39 5.866 -3.972 10.702 296 HE3 LYS 39 1HE LYS 39 5.944 -3.775 12.449 297 HZ1 LYS 39 3HZ LYS 39 6.775 -6.134 10.866 298 HZ2 LYS 39 1HZ LYS 39 6.600 -6.168 12.553 299 HZ3 LYS 39 2HZ LYS 39 7.742 -5.141 11.839 300 H SER 40 HN SER 40 -0.195 -6.814 9.450 301 HA SER 40 HA SER 40 -1.420 -8.685 11.176 302 HG SER 40 HG SER 40 -4.031 -7.896 11.211 303 HB2 SER 40 2HB SER 40 -2.465 -6.532 10.585 304 HB3 SER 40 1HB SER 40 -2.628 -7.064 8.914 305 H VAL 41 HN VAL 41 -0.656 -8.694 7.767 306 HA VAL 41 HA VAL 41 -2.132 -11.148 7.302 307 HB VAL 41 HB VAL 41 -0.357 -9.558 5.437 308 HG11 VAL 41 1HG1 VAL 41 -2.245 -11.834 4.842 309 HG12 VAL 41 2HG1 VAL 41 -0.484 -11.911 4.791 310 HG13 VAL 41 3HG1 VAL 41 -1.354 -10.888 3.648 311 HG21 VAL 41 3HG2 VAL 41 -2.463 -8.820 4.427 312 HG22 VAL 41 1HG2 VAL 41 -2.349 -8.328 6.117 313 HG23 VAL 41 2HG2 VAL 41 -3.363 -9.699 5.664 314 H CYS 42 HN CYS 42 1.280 -10.084 7.310 315 HA CYS 42 HA CYS 42 2.048 -12.914 7.397 316 HG CYS 42 HG CYS 42 3.908 -14.082 5.240 317 HB2 CYS 42 2HB CYS 42 2.343 -11.959 5.111 318 HB3 CYS 42 1HB CYS 42 3.453 -10.778 5.791 319 H ALA 43 HN ALA 43 3.410 -13.402 8.938 320 HA ALA 43 HA ALA 43 4.385 -11.369 10.730 321 HB1 ALA 43 1HB ALA 43 5.243 -13.230 12.052 322 HB2 ALA 43 2HB ALA 43 4.877 -14.346 10.736 323 HB3 ALA 43 3HB ALA 43 3.569 -13.517 11.580 324 H GLY 44 HN GLY 44 5.673 -13.328 8.152 325 HA2 GLY 44 2HA GLY 44 8.380 -12.308 8.728 326 HA3 GLY 44 1HA GLY 44 8.036 -13.775 7.822 327 H VAL 45 HN VAL 45 6.486 -10.630 7.479 328 HA VAL 45 HA VAL 45 6.873 -10.668 4.647 329 HB VAL 45 HB VAL 45 4.845 -9.704 5.593 330 HG11 VAL 45 1HG1 VAL 45 5.741 -8.822 7.672 331 HG12 VAL 45 2HG1 VAL 45 4.867 -7.572 6.788 332 HG13 VAL 45 3HG1 VAL 45 6.630 -7.587 6.780 333 HG21 VAL 45 3HG2 VAL 45 6.536 -7.633 4.204 334 HG22 VAL 45 1HG2 VAL 45 4.778 -7.604 4.337 335 HG23 VAL 45 2HG2 VAL 45 5.573 -8.888 3.425 336 H GLU 46 HN GLU 46 8.298 -9.536 3.426 337 HA GLU 46 HA GLU 46 10.142 -7.688 4.786 338 HB2 GLU 46 2HB GLU 46 11.259 -9.859 4.501 339 HB3 GLU 46 1HB GLU 46 10.905 -9.822 2.781 340 HG2 GLU 46 2HG GLU 46 12.391 -8.010 2.430 341 HG3 GLU 46 1HG GLU 46 12.581 -7.748 4.165 342 H TYR 47 HN TYR 47 10.494 -5.803 3.653 343 HA TYR 47 HA TYR 47 9.247 -5.687 1.002 344 HD1 TYR 47 1HD TYR 47 8.021 -5.157 4.925 345 HD2 TYR 47 2HD TYR 47 9.368 -1.778 2.720 346 HE1 TYR 47 1HE TYR 47 8.440 -3.958 7.030 347 HE2 TYR 47 2HE TYR 47 9.794 -0.571 4.818 348 HH TYR 47 HH TYR 47 9.040 -0.616 7.152 349 HB2 TYR 47 2HB TYR 47 8.134 -3.564 1.631 350 HB3 TYR 47 1HB TYR 47 7.551 -4.949 2.543 351 H ASN 48 HN ASN 48 9.818 -3.971 -0.315 352 HA ASN 48 HA ASN 48 12.224 -2.460 0.483 353 HB2 ASN 48 2HB ASN 48 11.313 -3.136 -2.321 354 HB3 ASN 48 1HB ASN 48 12.711 -2.162 -1.915 355 HD21 ASN 48 1HD2 ASN 48 13.498 -3.878 0.310 356 HD22 ASN 48 2HD2 ASN 48 14.162 -5.302 -0.412 357 H VAL 49 HN VAL 49 12.322 -0.312 -0.676 358 HA VAL 49 HA VAL 49 9.840 0.882 -1.465 359 HB VAL 49 HB VAL 49 9.552 0.846 0.982 360 HG11 VAL 49 1HG1 VAL 49 10.966 2.261 2.416 361 HG12 VAL 49 2HG1 VAL 49 12.045 2.534 1.048 362 HG13 VAL 49 3HG1 VAL 49 11.848 0.910 1.706 363 HG21 VAL 49 3HG2 VAL 49 8.517 2.637 -0.288 364 HG22 VAL 49 1HG2 VAL 49 9.975 3.613 -0.135 365 HG23 VAL 49 2HG2 VAL 49 9.024 3.217 1.298 366 H SER 50 HN SER 50 10.149 2.912 -2.437 367 HA SER 50 HA SER 50 12.765 3.462 -3.395 368 HG SER 50 HG SER 50 10.537 4.032 -5.767 369 HB2 SER 50 2HB SER 50 10.342 5.271 -3.516 370 HB3 SER 50 1HB SER 50 11.743 5.296 -4.585 371 H GLU 51 HN GLU 51 13.553 5.855 -3.281 372 HA GLU 51 HA GLU 51 14.145 6.365 -0.532 373 HB2 GLU 51 2HB GLU 51 15.436 8.309 -1.458 374 HB3 GLU 51 1HB GLU 51 15.894 6.740 -2.108 375 HG2 GLU 51 2HG GLU 51 14.690 7.163 -4.133 376 HG3 GLU 51 1HG GLU 51 14.038 8.665 -3.479 377 H LEU 52 HN LEU 52 13.413 7.940 0.785 378 HA LEU 52 HA LEU 52 11.019 9.354 -0.120 379 HG LEU 52 HG LEU 52 11.043 6.849 1.604 380 HB2 LEU 52 2HB LEU 52 12.130 8.838 2.634 381 HB3 LEU 52 1HB LEU 52 10.680 9.759 2.317 382 HD11 LEU 52 1HD1 LEU 52 9.522 6.409 3.470 383 HD12 LEU 52 2HD1 LEU 52 9.541 8.120 3.891 384 HD13 LEU 52 3HD1 LEU 52 11.017 7.165 4.022 385 HD21 LEU 52 3HD2 LEU 52 9.461 8.052 0.164 386 HD22 LEU 52 1HD2 LEU 52 8.589 8.609 1.593 387 HD23 LEU 52 2HD2 LEU 52 8.641 6.890 1.204 388 H THR 53 HN THR 53 11.220 11.390 -0.736 389 HA THR 53 HA THR 53 12.949 13.147 0.877 390 HB THR 53 HB THR 53 13.013 14.659 -1.177 391 HG1 THR 53 1HG THR 53 12.622 12.358 -2.742 392 HG21 THR 53 3HG2 THR 53 14.405 11.985 -1.348 393 HG22 THR 53 1HG2 THR 53 14.966 13.391 -0.445 394 HG23 THR 53 2HG2 THR 53 14.883 13.450 -2.206 395 H GLU 54 HN GLU 54 12.063 15.578 0.410 396 HA GLU 54 HA GLU 54 9.358 15.478 1.410 397 HB2 GLU 54 2HB GLU 54 11.437 17.597 1.099 398 HB3 GLU 54 1HB GLU 54 9.760 18.075 1.290 399 HG2 GLU 54 2HG GLU 54 10.874 18.087 3.429 400 HG3 GLU 54 1HG GLU 54 9.650 16.820 3.395 401 H GLU 55 HN GLU 55 10.824 15.705 -1.599 402 HA GLU 55 HA GLU 55 8.725 17.206 -2.901 403 HB2 GLU 55 2HB GLU 55 10.937 15.532 -4.109 404 HB3 GLU 55 1HB GLU 55 9.899 16.653 -4.976 405 HG2 GLU 55 2HG GLU 55 10.817 18.494 -3.610 406 HG3 GLU 55 1HG GLU 55 11.924 17.340 -2.866 407 H SER 56 HN SER 56 9.163 14.035 -1.842 408 HA SER 56 HA SER 56 7.796 12.656 -3.911 409 HG SER 56 HG SER 56 9.901 11.450 -3.287 410 HB2 SER 56 2HB SER 56 8.173 11.773 -1.046 411 HB3 SER 56 1HB SER 56 7.863 10.755 -2.443 412 H LYS 57 HN LYS 57 5.739 12.662 -4.307 413 HA LYS 57 HA LYS 57 3.818 13.030 -2.103 414 HB2 LYS 57 2HB LYS 57 2.254 14.067 -3.687 415 HB3 LYS 57 1HB LYS 57 3.736 14.999 -3.577 416 HG2 LYS 57 2HG LYS 57 3.318 12.991 -5.762 417 HG3 LYS 57 1HG LYS 57 2.683 14.631 -5.881 418 HD2 LYS 57 2HD LYS 57 4.815 15.585 -5.873 419 HD3 LYS 57 1HD LYS 57 5.569 14.126 -5.237 420 HE2 LYS 57 2HE LYS 57 4.783 13.027 -7.427 421 HE3 LYS 57 1HE LYS 57 4.558 14.679 -8.001 422 HZ1 LYS 57 3HZ LYS 57 6.733 13.784 -8.596 423 HZ2 LYS 57 1HZ LYS 57 7.097 13.560 -6.958 424 HZ3 LYS 57 2HZ LYS 57 6.884 15.126 -7.566 425 H GLU 58 HN GLU 58 5.266 10.938 -3.866 426 HA GLU 58 HA GLU 58 3.182 8.971 -3.747 427 HB2 GLU 58 2HB GLU 58 4.013 8.363 -6.258 428 HB3 GLU 58 1HB GLU 58 2.542 9.250 -5.899 429 HG2 GLU 58 2HG GLU 58 3.782 10.308 -7.692 430 HG3 GLU 58 1HG GLU 58 3.696 11.357 -6.282 431 H LEU 59 HN LEU 59 4.043 6.933 -3.466 432 HA LEU 59 HA LEU 59 6.880 6.547 -4.021 433 HG LEU 59 HG LEU 59 5.458 4.598 -1.222 434 HB2 LEU 59 2HB LEU 59 7.524 5.890 -1.871 435 HB3 LEU 59 1HB LEU 59 6.610 7.361 -1.625 436 HD11 LEU 59 1HD1 LEU 59 5.763 5.013 1.173 437 HD12 LEU 59 2HD1 LEU 59 6.627 6.504 0.801 438 HD13 LEU 59 3HD1 LEU 59 7.304 4.949 0.318 439 HD21 LEU 59 3HD2 LEU 59 3.747 5.801 0.060 440 HD22 LEU 59 1HD2 LEU 59 3.789 6.320 -1.626 441 HD23 LEU 59 2HD2 LEU 59 4.508 7.334 -0.374 442 H THR 60 HN THR 60 7.515 4.347 -4.079 443 HA THR 60 HA THR 60 5.243 2.504 -4.402 444 HB THR 60 HB THR 60 7.822 2.310 -5.952 445 HG1 THR 60 1HG THR 60 5.871 4.175 -6.195 446 HG21 THR 60 3HG2 THR 60 6.437 1.017 -7.501 447 HG22 THR 60 1HG2 THR 60 5.029 1.284 -6.467 448 HG23 THR 60 2HG2 THR 60 6.387 0.324 -5.881 449 H ALA 61 HN ALA 61 5.326 0.689 -3.214 450 HA ALA 61 HA ALA 61 7.903 -0.228 -2.160 451 HB1 ALA 61 1HB ALA 61 6.943 1.206 -0.428 452 HB2 ALA 61 2HB ALA 61 6.971 -0.480 0.088 453 HB3 ALA 61 3HB ALA 61 5.460 0.251 -0.452 454 H ARG 62 HN ARG 62 8.059 -2.428 -2.000 455 HA ARG 62 HA ARG 62 5.660 -3.954 -2.780 456 HE ARG 62 HE ARG 62 7.952 -2.612 -5.359 457 HB2 ARG 62 2HB ARG 62 7.236 -5.582 -3.843 458 HB3 ARG 62 1HB ARG 62 7.197 -4.002 -4.615 459 HG2 ARG 62 2HG ARG 62 9.215 -3.834 -2.695 460 HG3 ARG 62 1HG ARG 62 9.410 -5.418 -3.452 461 HD2 ARG 62 2HD ARG 62 10.650 -3.546 -4.565 462 HD3 ARG 62 1HD ARG 62 9.565 -4.457 -5.616 463 HH11 ARG 62 1HH1 ARG 62 11.325 -1.969 -4.629 464 HH12 ARG 62 2HH1 ARG 62 11.206 -0.277 -4.975 465 HH21 ARG 62 1HH2 ARG 62 7.790 -0.429 -5.809 466 HH22 ARG 62 2HH2 ARG 62 9.173 0.614 -5.635 467 H PHE 63 HN PHE 63 5.046 -5.551 -1.498 468 HA PHE 63 HA PHE 63 6.760 -6.180 0.805 469 HD1 PHE 63 1HD PHE 63 3.276 -4.316 -0.175 470 HD2 PHE 63 2HD PHE 63 5.445 -5.242 3.362 471 HE1 PHE 63 1HE PHE 63 2.873 -2.037 0.661 472 HE2 PHE 63 2HE PHE 63 5.050 -2.965 4.206 473 HZ PHE 63 HZ PHE 63 3.763 -1.358 2.855 474 HB2 PHE 63 2HB PHE 63 3.784 -6.607 0.417 475 HB3 PHE 63 1HB PHE 63 4.688 -6.987 1.878 476 H LYS 64 HN LYS 64 7.867 -8.004 0.662 477 HA LYS 64 HA LYS 64 6.889 -10.196 -0.999 478 HB2 LYS 64 2HB LYS 64 9.253 -9.641 -1.221 479 HB3 LYS 64 1HB LYS 64 9.487 -9.840 0.511 480 HG2 LYS 64 2HG LYS 64 8.811 -12.239 0.237 481 HG3 LYS 64 1HG LYS 64 8.848 -11.976 -1.507 482 HD2 LYS 64 2HD LYS 64 10.931 -12.972 -0.717 483 HD3 LYS 64 1HD LYS 64 11.206 -11.356 -1.365 484 HE2 LYS 64 2HE LYS 64 11.294 -10.433 0.869 485 HE3 LYS 64 1HE LYS 64 10.888 -12.001 1.563 486 HZ1 LYS 64 3HZ LYS 64 12.962 -12.868 1.023 487 HZ2 LYS 64 1HZ LYS 64 13.322 -11.296 1.554 488 HZ3 LYS 64 2HZ LYS 64 13.303 -11.651 -0.107 489 H PHE 65 HN PHE 65 5.571 -11.583 -0.121 490 HA PHE 65 HA PHE 65 5.662 -12.118 2.755 491 HD1 PHE 65 1HD PHE 65 3.344 -10.971 3.709 492 HD2 PHE 65 2HD PHE 65 2.905 -11.272 -0.510 493 HE1 PHE 65 1HE PHE 65 2.195 -8.797 3.678 494 HE2 PHE 65 2HE PHE 65 1.760 -9.096 -0.550 495 HZ PHE 65 HZ PHE 65 1.400 -7.856 1.545 496 HB2 PHE 65 2HB PHE 65 3.677 -13.109 0.694 497 HB3 PHE 65 1HB PHE 65 3.504 -13.176 2.445 498 H GLU 66 HN GLU 66 4.684 -14.716 2.770 499 HA GLU 66 HA GLU 66 6.988 -16.211 1.775 500 HB2 GLU 66 2HB GLU 66 4.831 -16.795 3.791 501 HB3 GLU 66 1HB GLU 66 5.892 -18.051 3.186 502 HG2 GLU 66 2HG GLU 66 6.766 -15.555 4.611 503 HG3 GLU 66 1HG GLU 66 6.658 -17.167 5.320 504 H VAL 67 HN VAL 67 3.435 -16.229 1.629 505 HA VAL 67 HA VAL 67 3.646 -18.066 -0.675 506 HB VAL 67 HB VAL 67 1.477 -19.058 -0.027 507 HG11 VAL 67 1HG1 VAL 67 3.532 -20.187 0.575 508 HG12 VAL 67 2HG1 VAL 67 2.329 -20.400 1.849 509 HG13 VAL 67 3HG1 VAL 67 3.643 -19.242 2.060 510 HG21 VAL 67 3HG2 VAL 67 0.594 -18.702 2.220 511 HG22 VAL 67 1HG2 VAL 67 0.595 -17.202 1.293 512 HG23 VAL 67 2HG2 VAL 67 1.831 -17.483 2.519 513 H SER 68 HN SER 68 1.697 -18.024 -2.106 514 HA SER 68 HA SER 68 1.310 -15.405 -3.054 515 HG SER 68 HG SER 68 1.652 -17.345 -5.514 516 HB2 SER 68 2HB SER 68 -0.292 -17.863 -3.772 517 HB3 SER 68 1HB SER 68 -0.063 -16.421 -4.758 518 H ALA 69 HN ALA 69 -0.531 -17.425 -0.955 519 HA ALA 69 HA ALA 69 -3.041 -16.176 -1.150 520 HB1 ALA 69 1HB ALA 69 -1.856 -17.589 1.235 521 HB2 ALA 69 2HB ALA 69 -2.703 -18.365 -0.104 522 HB3 ALA 69 3HB ALA 69 -3.566 -17.256 0.962 523 H GLU 70 HN GLU 70 -0.188 -15.391 0.734 524 HA GLU 70 HA GLU 70 -1.442 -13.581 2.510 525 HB2 GLU 70 2HB GLU 70 1.438 -13.885 1.662 526 HB3 GLU 70 1HB GLU 70 0.904 -12.810 2.944 527 HG2 GLU 70 2HG GLU 70 0.076 -14.671 4.225 528 HG3 GLU 70 1HG GLU 70 0.456 -15.783 2.913 529 H LYS 71 HN LYS 71 0.005 -13.241 -0.671 530 HA LYS 71 HA LYS 71 -0.034 -10.454 -0.933 531 HB2 LYS 71 2HB LYS 71 0.878 -11.985 -2.655 532 HB3 LYS 71 1HB LYS 71 -0.744 -12.522 -3.028 533 HG2 LYS 71 2HG LYS 71 -1.315 -10.177 -3.640 534 HG3 LYS 71 1HG LYS 71 0.380 -9.764 -3.434 535 HD2 LYS 71 2HD LYS 71 -0.600 -11.881 -5.333 536 HD3 LYS 71 1HD LYS 71 -0.328 -10.200 -5.794 537 HE2 LYS 71 2HE LYS 71 2.028 -10.502 -4.901 538 HE3 LYS 71 1HE LYS 71 1.680 -12.231 -4.867 539 HZ1 LYS 71 3HZ LYS 71 1.537 -10.484 -7.266 540 HZ2 LYS 71 1HZ LYS 71 1.216 -12.151 -7.236 541 HZ3 LYS 71 2HZ LYS 71 2.781 -11.581 -6.919 542 H LEU 72 HN LEU 72 -2.414 -12.820 -1.878 543 HA LEU 72 HA LEU 72 -4.492 -11.190 -2.667 544 HG LEU 72 HG LEU 72 -3.253 -14.065 -3.169 545 HB2 LEU 72 2HB LEU 72 -4.751 -13.828 -1.222 546 HB3 LEU 72 1HB LEU 72 -5.961 -13.088 -2.255 547 HD11 LEU 72 1HD1 LEU 72 -4.528 -15.823 -4.309 548 HD12 LEU 72 2HD1 LEU 72 -6.002 -15.244 -3.533 549 HD13 LEU 72 3HD1 LEU 72 -4.695 -15.912 -2.556 550 HD21 LEU 72 3HD2 LEU 72 -4.102 -13.667 -5.419 551 HD22 LEU 72 1HD2 LEU 72 -4.073 -12.173 -4.483 552 HD23 LEU 72 2HD2 LEU 72 -5.599 -13.015 -4.751 553 H ILE 73 HN ILE 73 -3.973 -12.530 0.604 554 HA ILE 73 HA ILE 73 -6.242 -11.419 1.803 555 HB ILE 73 HB ILE 73 -3.560 -11.984 3.080 556 HG12 ILE 73 2HG1 ILE 73 -6.050 -13.699 2.936 557 HG13 ILE 73 1HG1 ILE 73 -4.608 -13.934 1.955 558 HG21 ILE 73 1HG2 ILE 73 -4.930 -10.511 4.462 559 HG22 ILE 73 2HG2 ILE 73 -4.788 -12.113 5.189 560 HG23 ILE 73 3HG2 ILE 73 -6.273 -11.653 4.355 561 HD11 ILE 73 3HD1 ILE 73 -4.757 -14.138 4.954 562 HD12 ILE 73 1HD1 ILE 73 -3.309 -14.375 3.975 563 HD13 ILE 73 2HD1 ILE 73 -4.670 -15.486 3.819 564 H PHE 74 HN PHE 74 -2.960 -10.100 1.502 565 HA PHE 74 HA PHE 74 -3.411 -7.723 2.951 566 HD1 PHE 74 2HD PHE 74 -1.153 -6.565 3.983 567 HD2 PHE 74 1HD PHE 74 -0.945 -6.249 -0.254 568 HE1 PHE 74 2HE PHE 74 -0.227 -4.297 4.201 569 HE2 PHE 74 1HE PHE 74 -0.016 -3.982 -0.044 570 HZ PHE 74 HZ PHE 74 0.343 -3.005 2.189 571 HB2 PHE 74 2HB PHE 74 -1.169 -8.576 2.439 572 HB3 PHE 74 1HB PHE 74 -1.443 -8.305 0.723 573 H GLU 75 HN GLU 75 -3.494 -8.384 -0.540 574 HA GLU 75 HA GLU 75 -4.231 -5.760 -1.270 575 HB2 GLU 75 2HB GLU 75 -4.121 -8.399 -2.644 576 HB3 GLU 75 1HB GLU 75 -4.984 -7.081 -3.424 577 HG2 GLU 75 2HG GLU 75 -2.144 -6.898 -2.458 578 HG3 GLU 75 1HG GLU 75 -2.614 -7.294 -4.111 579 H LEU 76 HN LEU 76 -6.144 -8.551 -0.324 580 HA LEU 76 HA LEU 76 -8.649 -7.572 -1.128 581 HG LEU 76 HG LEU 76 -7.898 -10.334 -1.388 582 HB2 LEU 76 2HB LEU 76 -7.668 -9.515 0.919 583 HB3 LEU 76 1HB LEU 76 -9.342 -9.043 0.918 584 HD11 LEU 76 1HD1 LEU 76 -9.947 -11.453 0.518 585 HD12 LEU 76 2HD1 LEU 76 -8.231 -11.855 0.492 586 HD13 LEU 76 3HD1 LEU 76 -9.259 -12.289 -0.873 587 HD21 LEU 76 3HD2 LEU 76 -10.118 -10.536 -2.391 588 HD22 LEU 76 1HD2 LEU 76 -9.678 -8.848 -2.138 589 HD23 LEU 76 2HD2 LEU 76 -10.812 -9.637 -1.042 590 H LYS 77 HN LYS 77 -6.649 -7.054 1.711 591 HA LYS 77 HA LYS 77 -8.650 -5.594 3.144 592 HB2 LYS 77 2HB LYS 77 -5.682 -5.910 3.581 593 HB3 LYS 77 1HB LYS 77 -6.745 -5.043 4.680 594 HG2 LYS 77 2HG LYS 77 -8.072 -7.127 4.945 595 HG3 LYS 77 1HG LYS 77 -6.862 -7.964 3.972 596 HD2 LYS 77 2HD LYS 77 -5.143 -7.393 5.608 597 HD3 LYS 77 1HD LYS 77 -6.342 -6.527 6.572 598 HE2 LYS 77 2HE LYS 77 -6.318 -9.479 5.955 599 HE3 LYS 77 1HE LYS 77 -5.958 -8.726 7.507 600 HZ1 LYS 77 3HZ LYS 77 -8.573 -8.767 6.106 601 HZ2 LYS 77 1HZ LYS 77 -8.256 -7.833 7.489 602 HZ3 LYS 77 2HZ LYS 77 -8.177 -9.526 7.566 603 H THR 78 HN THR 78 -5.940 -4.759 1.049 604 HA THR 78 HA THR 78 -5.986 -1.977 1.604 605 HB THR 78 HB THR 78 -4.715 -1.726 -0.520 606 HG1 THR 78 1HG THR 78 -4.068 -3.939 -1.394 607 HG21 THR 78 3HG2 THR 78 -2.752 -3.016 0.191 608 HG22 THR 78 1HG2 THR 78 -3.769 -3.951 1.286 609 HG23 THR 78 2HG2 THR 78 -3.540 -2.223 1.558 610 H ARG 79 HN ARG 79 -7.801 -4.043 -0.548 611 HA ARG 79 HA ARG 79 -8.900 -2.126 -2.242 612 HE ARG 79 HE ARG 79 -11.170 -3.425 -4.205 613 HB2 ARG 79 2HB ARG 79 -9.846 -4.802 -1.254 614 HB3 ARG 79 1HB ARG 79 -10.800 -3.843 -2.364 615 HG2 ARG 79 2HG ARG 79 -7.976 -4.709 -2.902 616 HG3 ARG 79 1HG ARG 79 -9.406 -5.590 -3.444 617 HD2 ARG 79 2HD ARG 79 -8.700 -2.746 -4.165 618 HD3 ARG 79 1HD ARG 79 -8.502 -4.152 -5.211 619 HH11 ARG 79 1HH1 ARG 79 -8.963 -3.864 -6.902 620 HH12 ARG 79 2HH1 ARG 79 -10.224 -3.801 -8.098 621 HH21 ARG 79 1HH2 ARG 79 -12.801 -3.324 -5.759 622 HH22 ARG 79 2HH2 ARG 79 -12.411 -3.496 -7.447 623 H SER 80 HN SER 80 -10.080 -3.380 0.880 624 HA SER 80 HA SER 80 -12.401 -1.720 0.793 625 HG SER 80 HG SER 80 -13.433 -4.436 1.796 626 HB2 SER 80 2HB SER 80 -11.283 -3.412 3.032 627 HB3 SER 80 1HB SER 80 -12.910 -2.760 2.930 628 H LEU 81 HN LEU 81 -9.195 -1.263 1.838 629 HA LEU 81 HA LEU 81 -9.905 0.740 3.808 630 HG LEU 81 HG LEU 81 -6.890 1.844 3.113 631 HB2 LEU 81 2HB LEU 81 -8.086 -0.518 4.519 632 HB3 LEU 81 1HB LEU 81 -7.382 -0.590 2.914 633 HD11 LEU 81 1HD1 LEU 81 -7.643 1.368 5.994 634 HD12 LEU 81 2HD1 LEU 81 -8.471 2.427 4.853 635 HD13 LEU 81 3HD1 LEU 81 -6.831 2.809 5.380 636 HD21 LEU 81 3HD2 LEU 81 -4.926 1.521 4.558 637 HD22 LEU 81 1HD2 LEU 81 -5.159 0.183 3.433 638 HD23 LEU 81 2HD2 LEU 81 -5.615 0.000 5.127 639 H ALA 82 HN ALA 82 -8.491 0.476 0.593 640 HA ALA 82 HA ALA 82 -8.111 3.387 0.502 641 HB1 ALA 82 1HB ALA 82 -6.173 2.009 -0.074 642 HB2 ALA 82 2HB ALA 82 -6.704 2.983 -1.445 643 HB3 ALA 82 3HB ALA 82 -7.092 1.264 -1.382 644 H ARG 83 HN ARG 83 -10.729 2.389 0.376 645 HA ARG 83 HA ARG 83 -11.530 3.652 -2.096 646 HE ARG 83 HE ARG 83 -11.685 1.086 -4.672 647 HB2 ARG 83 2HB ARG 83 -11.428 1.293 -2.755 648 HB3 ARG 83 1HB ARG 83 -12.471 0.859 -1.408 649 HG2 ARG 83 2HG ARG 83 -14.337 1.907 -2.377 650 HG3 ARG 83 1HG ARG 83 -13.341 2.769 -3.552 651 HD2 ARG 83 2HD ARG 83 -13.715 -0.220 -3.443 652 HD3 ARG 83 1HD ARG 83 -14.552 0.870 -4.549 653 HH11 ARG 83 1HH1 ARG 83 -14.476 -0.672 -5.852 654 HH12 ARG 83 2HH1 ARG 83 -13.698 -1.155 -7.329 655 HH21 ARG 83 1HH2 ARG 83 -10.651 0.410 -6.605 656 HH22 ARG 83 2HH2 ARG 83 -11.541 -0.545 -7.760 657 H LEU 84 HN LEU 84 -13.240 4.918 -1.758 658 HA LEU 84 HA LEU 84 -14.735 6.148 -0.616 659 HG LEU 84 HG LEU 84 -15.682 3.447 -2.023 660 HB2 LEU 84 2HB LEU 84 -15.592 3.456 0.430 661 HB3 LEU 84 1HB LEU 84 -16.521 4.933 0.458 662 HD11 LEU 84 1HD1 LEU 84 -18.373 3.745 -0.694 663 HD12 LEU 84 2HD1 LEU 84 -17.414 2.270 -0.812 664 HD13 LEU 84 3HD1 LEU 84 -18.088 3.001 -2.267 665 HD21 LEU 84 3HD2 LEU 84 -17.119 5.043 -3.207 666 HD22 LEU 84 1HD2 LEU 84 -15.766 5.846 -2.410 667 HD23 LEU 84 2HD2 LEU 84 -17.378 5.921 -1.700 668 H GLU 85 HN GLU 85 -12.367 6.268 0.502 669 HA GLU 85 HA GLU 85 -12.161 5.574 3.226 670 HB2 GLU 85 2HB GLU 85 -10.845 7.977 1.957 671 HB3 GLU 85 1HB GLU 85 -10.251 6.998 3.287 672 HG2 GLU 85 2HG GLU 85 -8.928 6.181 1.651 673 HG3 GLU 85 1HG GLU 85 -10.306 5.107 1.431 674 H HIS 86 HN HIS 86 -11.842 7.471 4.919 675 HA HIS 86 HA HIS 86 -14.356 8.599 5.412 676 HD1 HIS 86 1HD HIS 86 -12.329 9.094 9.433 677 HD2 HIS 86 2HD HIS 86 -14.617 6.850 6.777 678 HE1 HIS 86 1HE HIS 86 -13.551 7.406 10.845 679 HE2 HIS 86 2HE HIS 86 -15.057 6.174 9.241 680 HB2 HIS 86 2HB HIS 86 -11.648 8.949 6.593 681 HB3 HIS 86 1HB HIS 86 -12.855 10.177 6.955 682 H HIS 87 HN HIS 87 -11.461 10.648 5.010 683 HA HIS 87 HA HIS 87 -12.903 12.119 2.944 684 HD1 HIS 87 1HD HIS 87 -14.602 13.671 2.837 685 HD2 HIS 87 2HD HIS 87 -14.116 13.795 6.966 686 HE1 HIS 87 1HE HIS 87 -16.892 14.082 3.777 687 HE2 HIS 87 2HE HIS 87 -16.606 13.879 6.268 688 HB2 HIS 87 2HB HIS 87 -11.895 13.307 5.505 689 HB3 HIS 87 1HB HIS 87 -11.992 14.285 4.042 690 H HIS 88 HN HIS 88 -11.414 10.851 1.728 691 HA HIS 88 HA HIS 88 -8.678 11.927 1.625 692 HD1 HIS 88 1HD HIS 88 -6.896 9.785 -0.989 693 HD2 HIS 88 2HD HIS 88 -7.551 9.190 3.081 694 HE1 HIS 88 1HE HIS 88 -4.693 9.007 -0.048 695 HE2 HIS 88 2HE HIS 88 -5.180 8.437 2.367 696 HB2 HIS 88 2HB HIS 88 -9.768 9.358 1.254 697 HB3 HIS 88 1HB HIS 88 -9.330 9.907 -0.357 698 H HIS 89 HN HIS 89 -11.263 13.210 0.836 699 HA HIS 89 HA HIS 89 -11.866 13.152 -1.829 700 HD1 HIS 89 1HD HIS 89 -14.146 15.700 1.426 701 HD2 HIS 89 2HD HIS 89 -10.086 16.054 0.580 702 HE1 HIS 89 1HE HIS 89 -13.156 16.995 3.345 703 HE2 HIS 89 2HE HIS 89 -10.734 17.330 2.737 704 HB2 HIS 89 2HB HIS 89 -12.727 15.544 -1.468 705 HB3 HIS 89 1HB HIS 89 -13.420 14.249 -0.506 706 H HIS 90 HN HIS 90 -10.237 13.074 -3.182 707 HA HIS 90 HA HIS 90 -9.595 15.144 -4.742 708 HD1 HIS 90 1HD HIS 90 -7.656 16.997 -5.776 709 HD2 HIS 90 2HD HIS 90 -8.679 17.821 -1.829 710 HE1 HIS 90 1HE HIS 90 -8.127 19.467 -5.694 711 HE2 HIS 90 2HE HIS 90 -8.982 19.884 -3.356 712 HB2 HIS 90 2HB HIS 90 -7.873 15.287 -2.380 713 HB3 HIS 90 1HB HIS 90 -6.952 15.142 -3.874 714 H HIS 91 HN HIS 91 -7.431 12.825 -3.141 715 HA HIS 91 HA HIS 91 -7.774 10.810 -5.078 716 HD1 HIS 91 1HD HIS 91 -3.209 11.681 -6.334 717 HD2 HIS 91 2HD HIS 91 -5.601 14.168 -4.015 718 HE1 HIS 91 1HE HIS 91 -1.660 13.420 -5.384 719 HE2 HIS 91 2HE HIS 91 -3.183 15.064 -4.222 720 HB2 HIS 91 2HB HIS 91 -5.526 10.818 -6.106 721 HB3 HIS 91 1HB HIS 91 -6.456 12.238 -6.544 Start of MODEL 7 1 HA ALA 1 HA ALA 1 13.192 -11.655 -14.212 2 H1 ALA 1 1HT ALA 1 11.349 -12.574 -12.978 3 H2 ALA 1 2HT ALA 1 11.065 -12.662 -14.643 4 H3 ALA 1 3HT ALA 1 10.281 -11.482 -13.709 5 HB1 ALA 1 2HB ALA 1 11.892 -10.942 -16.169 6 HB2 ALA 1 3HB ALA 1 12.897 -9.641 -15.532 7 HB3 ALA 1 1HB ALA 1 11.164 -9.657 -15.205 8 H GLY 2 HN GLY 2 13.946 -9.174 -13.810 9 HA2 GLY 2 2HA GLY 2 13.331 -8.797 -10.961 10 HA3 GLY 2 1HA GLY 2 14.795 -8.267 -11.776 11 H GLU 3 HN GLU 3 14.149 -6.343 -10.459 12 HA GLU 3 HA GLU 3 12.802 -4.430 -12.181 13 HB2 GLU 3 2HB GLU 3 11.005 -5.229 -10.704 14 HB3 GLU 3 1HB GLU 3 11.998 -4.889 -9.298 15 HG2 GLU 3 2HG GLU 3 10.297 -3.183 -9.632 16 HG3 GLU 3 1HG GLU 3 11.923 -2.518 -9.770 17 H ILE 4 HN ILE 4 13.559 -2.300 -11.835 18 HA ILE 4 HA ILE 4 16.076 -2.266 -10.363 19 HB ILE 4 HB ILE 4 16.274 -0.048 -11.731 20 HG12 ILE 4 2HG1 ILE 4 15.349 -0.475 -14.075 21 HG13 ILE 4 1HG1 ILE 4 14.267 -1.631 -13.314 22 HG21 ILE 4 1HG2 ILE 4 17.442 -1.312 -13.501 23 HG22 ILE 4 2HG2 ILE 4 16.720 -2.793 -12.871 24 HG23 ILE 4 3HG2 ILE 4 17.838 -1.862 -11.874 25 HD11 ILE 4 3HD1 ILE 4 13.365 0.174 -11.913 26 HD12 ILE 4 1HD1 ILE 4 13.157 0.486 -13.637 27 HD13 ILE 4 2HD1 ILE 4 14.427 1.316 -12.738 28 H GLY 5 HN GLY 5 16.721 -0.278 -9.292 29 HA2 GLY 5 2HA GLY 5 16.314 1.634 -8.021 30 HA3 GLY 5 1HA GLY 5 14.610 1.533 -8.443 31 H PHE 6 HN PHE 6 14.315 -1.195 -7.715 32 HA PHE 6 HA PHE 6 14.356 -0.921 -4.784 33 HD1 PHE 6 2HD PHE 6 11.895 -0.076 -3.829 34 HD2 PHE 6 1HD PHE 6 11.457 -1.078 -7.940 35 HE1 PHE 6 2HE PHE 6 10.437 1.883 -4.152 36 HE2 PHE 6 1HE PHE 6 10.006 0.876 -8.271 37 HZ PHE 6 HZ PHE 6 9.494 2.360 -6.376 38 HB2 PHE 6 2HB PHE 6 12.482 -2.586 -6.483 39 HB3 PHE 6 1HB PHE 6 12.396 -2.372 -4.739 40 H ILE 7 HN ILE 7 14.660 -2.886 -3.553 41 HA ILE 7 HA ILE 7 16.688 -4.589 -4.713 42 HB ILE 7 HB ILE 7 15.410 -4.781 -1.979 43 HG12 ILE 7 2HG1 ILE 7 17.982 -3.368 -2.709 44 HG13 ILE 7 1HG1 ILE 7 16.446 -2.539 -2.483 45 HG21 ILE 7 1HG2 ILE 7 16.609 -6.790 -2.665 46 HG22 ILE 7 2HG2 ILE 7 17.462 -5.962 -1.363 47 HG23 ILE 7 3HG2 ILE 7 18.043 -5.823 -3.022 48 HD11 ILE 7 3HD1 ILE 7 16.371 -3.314 -0.172 49 HD12 ILE 7 1HD1 ILE 7 17.835 -2.386 -0.499 50 HD13 ILE 7 2HD1 ILE 7 17.909 -4.146 -0.402 51 H ILE 8 HN ILE 8 13.575 -5.101 -3.084 52 HA ILE 8 HA ILE 8 13.327 -7.812 -3.894 53 HB ILE 8 HB ILE 8 11.280 -5.863 -2.828 54 HG12 ILE 8 2HG1 ILE 8 12.757 -8.179 -1.565 55 HG13 ILE 8 1HG1 ILE 8 13.093 -6.473 -1.284 56 HG21 ILE 8 1HG2 ILE 8 10.982 -8.840 -3.212 57 HG22 ILE 8 2HG2 ILE 8 10.205 -7.605 -4.200 58 HG23 ILE 8 3HG2 ILE 8 9.797 -7.751 -2.491 59 HD11 ILE 8 3HD1 ILE 8 10.565 -7.928 -0.549 60 HD12 ILE 8 1HD1 ILE 8 10.867 -6.210 -0.297 61 HD13 ILE 8 2HD1 ILE 8 11.838 -7.411 0.554 62 H LYS 9 HN LYS 9 12.788 -8.580 -5.794 63 HA LYS 9 HA LYS 9 11.680 -6.796 -7.813 64 HB2 LYS 9 2HB LYS 9 12.320 -8.585 -9.388 65 HB3 LYS 9 1HB LYS 9 13.679 -8.003 -8.445 66 HG2 LYS 9 2HG LYS 9 13.463 -9.965 -6.976 67 HG3 LYS 9 1HG LYS 9 12.147 -10.554 -7.994 68 HD2 LYS 9 2HD LYS 9 13.685 -10.595 -9.920 69 HD3 LYS 9 1HD LYS 9 14.998 -10.072 -8.861 70 HE2 LYS 9 2HE LYS 9 14.722 -12.096 -7.520 71 HE3 LYS 9 1HE LYS 9 13.401 -12.612 -8.568 72 HZ1 LYS 9 3HZ LYS 9 15.008 -12.599 -10.434 73 HZ2 LYS 9 1HZ LYS 9 15.382 -13.735 -9.229 74 HZ3 LYS 9 2HZ LYS 9 16.252 -12.284 -9.324 75 H GLU 10 HN GLU 10 10.373 -8.470 -9.492 76 HA GLU 10 HA GLU 10 7.856 -8.650 -8.213 77 HB2 GLU 10 2HB GLU 10 8.897 -9.287 -10.947 78 HB3 GLU 10 1HB GLU 10 7.260 -9.718 -10.494 79 HG2 GLU 10 2HG GLU 10 8.425 -6.952 -10.419 80 HG3 GLU 10 1HG GLU 10 7.349 -7.586 -11.663 81 H GLY 11 HN GLY 11 6.436 -10.527 -8.389 82 HA2 GLY 11 2HA GLY 11 7.208 -13.166 -8.691 83 HA3 GLY 11 1HA GLY 11 7.497 -12.749 -7.002 84 H ASP 12 HN ASP 12 5.668 -14.652 -7.357 85 HA ASP 12 HA ASP 12 3.039 -13.512 -7.707 86 HB2 ASP 12 2HB ASP 12 4.005 -16.286 -7.047 87 HB3 ASP 12 1HB ASP 12 2.298 -15.863 -6.983 88 H GLU 13 HN GLU 13 5.209 -14.052 -5.136 89 HA GLU 13 HA GLU 13 3.098 -13.563 -3.155 90 HB2 GLU 13 2HB GLU 13 4.784 -14.095 -1.461 91 HB3 GLU 13 1HB GLU 13 4.624 -15.397 -2.630 92 HG2 GLU 13 2HG GLU 13 6.751 -13.326 -2.971 93 HG3 GLU 13 1HG GLU 13 6.973 -14.652 -1.833 94 H VAL 14 HN VAL 14 4.722 -11.709 -5.144 95 HA VAL 14 HA VAL 14 5.469 -9.686 -3.136 96 HB VAL 14 HB VAL 14 6.329 -9.839 -6.034 97 HG11 VAL 14 1HG1 VAL 14 7.233 -8.000 -3.819 98 HG12 VAL 14 2HG1 VAL 14 6.209 -7.552 -5.184 99 HG13 VAL 14 3HG1 VAL 14 7.879 -8.048 -5.459 100 HG21 VAL 14 3HG2 VAL 14 7.867 -10.457 -3.512 101 HG22 VAL 14 1HG2 VAL 14 8.546 -10.402 -5.138 102 HG23 VAL 14 2HG2 VAL 14 7.341 -11.622 -4.727 103 H ALA 15 HN ALA 15 4.109 -8.072 -2.880 104 HA ALA 15 HA ALA 15 2.530 -7.161 -5.200 105 HB1 ALA 15 1HB ALA 15 1.090 -8.363 -3.612 106 HB2 ALA 15 2HB ALA 15 0.672 -6.652 -3.707 107 HB3 ALA 15 3HB ALA 15 1.593 -7.262 -2.332 108 H ASP 16 HN ASP 16 3.039 -5.125 -5.734 109 HA ASP 16 HA ASP 16 4.302 -3.440 -3.713 110 HB2 ASP 16 2HB ASP 16 5.078 -2.071 -5.554 111 HB3 ASP 16 1HB ASP 16 5.502 -3.746 -5.845 112 H VAL 17 HN VAL 17 3.552 -1.482 -3.168 113 HA VAL 17 HA VAL 17 0.968 -0.635 -4.308 114 HB VAL 17 HB VAL 17 1.723 -0.221 -1.425 115 HG11 VAL 17 1HG1 VAL 17 -0.679 0.245 -1.156 116 HG12 VAL 17 2HG1 VAL 17 -0.884 0.050 -2.898 117 HG13 VAL 17 3HG1 VAL 17 0.119 1.357 -2.269 118 HG21 VAL 17 3HG2 VAL 17 -0.044 -2.390 -2.547 119 HG22 VAL 17 1HG2 VAL 17 0.173 -2.026 -0.835 120 HG23 VAL 17 2HG2 VAL 17 1.531 -2.620 -1.789 121 H THR 18 HN THR 18 0.911 1.380 -4.952 122 HA THR 18 HA THR 18 3.146 3.152 -4.250 123 HB THR 18 HB THR 18 1.458 3.189 -6.762 124 HG1 THR 18 1HG THR 18 2.823 1.704 -7.397 125 HG21 THR 18 3HG2 THR 18 3.941 4.754 -6.030 126 HG22 THR 18 1HG2 THR 18 2.303 5.408 -6.126 127 HG23 THR 18 2HG2 THR 18 3.102 4.815 -7.580 128 H ILE 19 HN ILE 19 2.575 4.740 -2.937 129 HA ILE 19 HA ILE 19 -0.264 5.443 -2.719 130 HB ILE 19 HB ILE 19 1.945 6.318 -0.864 131 HG12 ILE 19 2HG1 ILE 19 0.163 3.890 -0.552 132 HG13 ILE 19 1HG1 ILE 19 1.857 3.826 -1.029 133 HG21 ILE 19 1HG2 ILE 19 0.110 6.607 0.736 134 HG22 ILE 19 2HG2 ILE 19 -1.039 6.088 -0.497 135 HG23 ILE 19 3HG2 ILE 19 -0.127 7.581 -0.715 136 HD11 ILE 19 3HD1 ILE 19 1.601 3.308 1.318 137 HD12 ILE 19 1HD1 ILE 19 0.792 4.852 1.590 138 HD13 ILE 19 2HD1 ILE 19 2.489 4.818 1.112 139 H PHE 20 HN PHE 20 -0.990 7.494 -3.013 140 HA PHE 20 HA PHE 20 0.933 9.493 -4.007 141 HD1 PHE 20 1HD PHE 20 1.172 9.101 -6.909 142 HD2 PHE 20 2HD PHE 20 -2.247 6.984 -5.521 143 HE1 PHE 20 1HE PHE 20 1.659 7.283 -8.492 144 HE2 PHE 20 2HE PHE 20 -1.761 5.160 -7.099 145 HZ PHE 20 HZ PHE 20 0.194 5.308 -8.587 146 HB2 PHE 20 2HB PHE 20 -1.928 9.256 -4.930 147 HB3 PHE 20 1HB PHE 20 -0.642 10.215 -5.639 148 H ALA 21 HN ALA 21 0.780 11.467 -3.080 149 HA ALA 21 HA ALA 21 -1.643 12.384 -1.844 150 HB1 ALA 21 1HB ALA 21 0.704 11.904 -0.021 151 HB2 ALA 21 2HB ALA 21 -0.727 10.878 -0.097 152 HB3 ALA 21 3HB ALA 21 -0.872 12.558 0.418 153 H GLU 22 HN GLU 22 -0.867 14.437 -0.360 154 HA GLU 22 HA GLU 22 0.301 16.170 -2.379 155 HB2 GLU 22 2HB GLU 22 -0.840 17.013 0.276 156 HB3 GLU 22 1HB GLU 22 -0.695 17.965 -1.192 157 HG2 GLU 22 2HG GLU 22 -2.540 15.622 -0.785 158 HG3 GLU 22 1HG GLU 22 -3.001 17.321 -0.754 159 H THR 23 HN THR 23 1.098 14.787 0.687 160 HA THR 23 HA THR 23 3.583 16.355 0.756 161 HB THR 23 HB THR 23 3.464 16.291 3.252 162 HG1 THR 23 1HG THR 23 1.432 15.785 4.198 163 HG21 THR 23 3HG2 THR 23 1.156 17.693 1.892 164 HG22 THR 23 1HG2 THR 23 2.801 18.312 2.037 165 HG23 THR 23 2HG2 THR 23 1.811 18.093 3.480 166 H LYS 24 HN LYS 24 5.387 15.292 1.719 167 HA LYS 24 HA LYS 24 5.588 12.512 1.221 168 HB2 LYS 24 2HB LYS 24 7.502 14.127 1.224 169 HB3 LYS 24 1HB LYS 24 7.371 14.220 2.973 170 HG2 LYS 24 2HG LYS 24 7.711 11.691 2.962 171 HG3 LYS 24 1HG LYS 24 8.223 11.891 1.286 172 HD2 LYS 24 2HD LYS 24 10.159 11.909 2.736 173 HD3 LYS 24 1HD LYS 24 9.929 13.510 2.029 174 HE2 LYS 24 2HE LYS 24 8.809 14.238 4.099 175 HE3 LYS 24 1HE LYS 24 9.110 12.649 4.804 176 HZ1 LYS 24 3HZ LYS 24 10.768 14.199 5.538 177 HZ2 LYS 24 1HZ LYS 24 11.161 14.612 3.939 178 HZ3 LYS 24 2HZ LYS 24 11.496 13.055 4.519 179 H ASP 25 HN ASP 25 5.032 14.458 4.077 180 HA ASP 25 HA ASP 25 5.151 12.514 6.066 181 HB2 ASP 25 2HB ASP 25 4.896 14.865 6.614 182 HB3 ASP 25 1HB ASP 25 3.322 14.914 5.832 183 H ALA 26 HN ALA 26 2.409 13.463 4.012 184 HA ALA 26 HA ALA 26 0.540 11.657 5.079 185 HB1 ALA 26 1HB ALA 26 0.690 12.706 2.255 186 HB2 ALA 26 2HB ALA 26 -0.079 13.524 3.614 187 HB3 ALA 26 3HB ALA 26 -0.725 11.991 3.027 188 H LEU 27 HN LEU 27 2.901 11.308 2.469 189 HA LEU 27 HA LEU 27 2.285 8.717 1.636 190 HG LEU 27 HG LEU 27 3.475 8.788 -0.577 191 HB2 LEU 27 2HB LEU 27 4.721 10.422 1.632 192 HB3 LEU 27 1HB LEU 27 4.956 8.709 1.380 193 HD11 LEU 27 1HD1 LEU 27 3.406 11.755 -0.067 194 HD12 LEU 27 2HD1 LEU 27 2.048 10.641 0.099 195 HD13 LEU 27 3HD1 LEU 27 2.762 10.930 -1.487 196 HD21 LEU 27 3HD2 LEU 27 4.986 10.033 -2.029 197 HD22 LEU 27 1HD2 LEU 27 5.878 9.083 -0.841 198 HD23 LEU 27 2HD2 LEU 27 5.695 10.823 -0.621 199 H GLU 28 HN GLU 28 4.605 9.790 4.106 200 HA GLU 28 HA GLU 28 5.421 7.256 4.946 201 HB2 GLU 28 2HB GLU 28 5.359 9.902 6.399 202 HB3 GLU 28 1HB GLU 28 6.191 8.480 6.986 203 HG2 GLU 28 2HG GLU 28 7.592 8.483 4.968 204 HG3 GLU 28 1HG GLU 28 6.783 9.958 4.442 205 H SER 29 HN SER 29 2.768 9.321 6.036 206 HA SER 29 HA SER 29 2.084 7.791 8.311 207 HG SER 29 HG SER 29 1.974 10.882 7.338 208 HB2 SER 29 2HB SER 29 0.325 9.633 6.677 209 HB3 SER 29 1HB SER 29 0.033 9.104 8.333 210 H GLU 30 HN GLU 30 0.637 7.915 5.041 211 HA GLU 30 HA GLU 30 -1.251 5.896 5.418 212 HB2 GLU 30 2HB GLU 30 0.152 7.078 3.047 213 HB3 GLU 30 1HB GLU 30 -0.919 5.715 2.847 214 HG2 GLU 30 2HG GLU 30 -1.664 8.369 4.029 215 HG3 GLU 30 1HG GLU 30 -2.049 7.819 2.399 216 H LEU 31 HN LEU 31 2.098 5.812 4.323 217 HA LEU 31 HA LEU 31 2.324 3.144 3.582 218 HG LEU 31 HG LEU 31 4.998 2.349 4.477 219 HB2 LEU 31 2HB LEU 31 4.045 4.991 3.384 220 HB3 LEU 31 1HB LEU 31 4.428 4.712 5.066 221 HD11 LEU 31 1HD1 LEU 31 4.763 3.380 1.660 222 HD12 LEU 31 2HD1 LEU 31 3.698 2.198 2.421 223 HD13 LEU 31 3HD1 LEU 31 5.395 1.806 2.140 224 HD21 LEU 31 3HD2 LEU 31 6.718 4.060 4.759 225 HD22 LEU 31 1HD2 LEU 31 6.563 4.500 3.058 226 HD23 LEU 31 2HD2 LEU 31 7.166 2.903 3.505 227 H ALA 32 HN ALA 32 2.841 4.632 6.747 228 HA ALA 32 HA ALA 32 3.531 2.341 8.179 229 HB1 ALA 32 1HB ALA 32 2.043 4.750 9.211 230 HB2 ALA 32 2HB ALA 32 3.793 4.624 9.032 231 HB3 ALA 32 3HB ALA 32 2.944 3.584 10.176 232 H LYS 33 HN LYS 33 0.361 3.525 7.232 233 HA LYS 33 HA LYS 33 -1.157 1.824 8.935 234 HB2 LYS 33 2HB LYS 33 -2.077 2.869 6.262 235 HB3 LYS 33 1HB LYS 33 -3.036 2.541 7.686 236 HG2 LYS 33 2HG LYS 33 -1.042 4.773 7.438 237 HG3 LYS 33 1HG LYS 33 -2.784 4.936 7.225 238 HD2 LYS 33 2HD LYS 33 -3.140 4.252 9.544 239 HD3 LYS 33 1HD LYS 33 -1.397 4.051 9.757 240 HE2 LYS 33 2HE LYS 33 -1.050 6.415 9.307 241 HE3 LYS 33 1HE LYS 33 -2.777 6.633 9.033 242 HZ1 LYS 33 3HZ LYS 33 -1.571 5.745 11.599 243 HZ2 LYS 33 1HZ LYS 33 -3.209 6.093 11.318 244 HZ3 LYS 33 2HZ LYS 33 -2.052 7.334 11.261 245 H TYR 34 HN TYR 34 0.058 1.588 5.646 246 HA TYR 34 HA TYR 34 -1.173 -0.947 5.141 247 HD1 TYR 34 2HD TYR 34 -2.319 -1.012 3.031 248 HD2 TYR 34 1HD TYR 34 0.073 2.498 2.784 249 HE1 TYR 34 2HE TYR 34 -4.169 0.164 1.918 250 HE2 TYR 34 1HE TYR 34 -1.772 3.683 1.672 251 HH TYR 34 HH TYR 34 -3.780 3.130 0.336 252 HB2 TYR 34 2HB TYR 34 0.998 0.582 3.693 253 HB3 TYR 34 1HB TYR 34 0.358 -0.958 3.129 254 H ILE 35 HN ILE 35 1.951 0.151 6.315 255 HA ILE 35 HA ILE 35 3.283 -2.327 6.312 256 HB ILE 35 HB ILE 35 3.602 0.029 8.181 257 HG12 ILE 35 2HG1 ILE 35 5.240 -0.875 5.804 258 HG13 ILE 35 1HG1 ILE 35 4.104 0.470 5.805 259 HG21 ILE 35 1HG2 ILE 35 5.354 -2.406 7.864 260 HG22 ILE 35 2HG2 ILE 35 4.441 -1.940 9.299 261 HG23 ILE 35 3HG2 ILE 35 5.797 -0.952 8.758 262 HD11 ILE 35 3HD1 ILE 35 6.622 0.278 7.442 263 HD12 ILE 35 1HD1 ILE 35 5.483 1.623 7.462 264 HD13 ILE 35 2HD1 ILE 35 6.387 1.257 5.994 265 H GLU 36 HN GLU 36 1.102 -0.819 8.674 266 HA GLU 36 HA GLU 36 1.276 -2.767 10.642 267 HB2 GLU 36 2HB GLU 36 0.195 -0.558 10.953 268 HB3 GLU 36 1HB GLU 36 -1.105 -1.068 9.881 269 HG2 GLU 36 2HG GLU 36 -1.646 -2.873 11.401 270 HG3 GLU 36 1HG GLU 36 -0.368 -2.343 12.483 271 H LEU 37 HN LEU 37 -0.936 -2.425 7.896 272 HA LEU 37 HA LEU 37 -2.400 -4.770 8.218 273 HG LEU 37 HG LEU 37 -3.084 -2.054 6.916 274 HB2 LEU 37 2HB LEU 37 -1.470 -3.404 5.698 275 HB3 LEU 37 1HB LEU 37 -2.573 -4.765 5.696 276 HD11 LEU 37 1HD1 LEU 37 -4.758 -1.868 5.160 277 HD12 LEU 37 2HD1 LEU 37 -4.292 -3.449 4.533 278 HD13 LEU 37 3HD1 LEU 37 -3.151 -2.104 4.473 279 HD21 LEU 37 3HD2 LEU 37 -4.874 -4.480 6.762 280 HD22 LEU 37 1HD2 LEU 37 -5.334 -2.886 7.359 281 HD23 LEU 37 2HD2 LEU 37 -4.130 -3.838 8.226 282 H ALA 38 HN ALA 38 0.768 -4.280 6.741 283 HA ALA 38 HA ALA 38 1.000 -6.839 5.578 284 HB1 ALA 38 1HB ALA 38 2.393 -4.930 4.911 285 HB2 ALA 38 2HB ALA 38 3.366 -6.336 5.343 286 HB3 ALA 38 3HB ALA 38 3.210 -4.992 6.473 287 H LYS 39 HN LYS 39 2.228 -5.539 8.647 288 HA LYS 39 HA LYS 39 3.378 -8.009 9.463 289 HB2 LYS 39 2HB LYS 39 2.736 -5.461 10.930 290 HB3 LYS 39 1HB LYS 39 3.475 -6.845 11.720 291 HG2 LYS 39 2HG LYS 39 5.359 -6.724 10.162 292 HG3 LYS 39 1HG LYS 39 4.621 -5.317 9.394 293 HD2 LYS 39 2HD LYS 39 4.783 -4.063 11.462 294 HD3 LYS 39 1HD LYS 39 5.423 -5.480 12.297 295 HE2 LYS 39 2HE LYS 39 6.756 -4.132 9.952 296 HE3 LYS 39 1HE LYS 39 7.158 -3.826 11.640 297 HZ1 LYS 39 3HZ LYS 39 7.785 -6.140 11.886 298 HZ2 LYS 39 1HZ LYS 39 8.667 -5.430 10.625 299 HZ3 LYS 39 2HZ LYS 39 7.369 -6.462 10.275 300 H SER 40 HN SER 40 0.205 -6.653 9.672 301 HA SER 40 HA SER 40 -0.686 -8.312 11.830 302 HG SER 40 HG SER 40 -2.939 -7.619 12.447 303 HB2 SER 40 2HB SER 40 -1.743 -6.122 11.222 304 HB3 SER 40 1HB SER 40 -2.368 -6.875 9.758 305 H VAL 41 HN VAL 41 -0.466 -8.623 8.365 306 HA VAL 41 HA VAL 41 -2.173 -10.984 8.344 307 HB VAL 41 HB VAL 41 -0.697 -9.605 6.097 308 HG11 VAL 41 1HG1 VAL 41 -2.035 -11.001 4.590 309 HG12 VAL 41 2HG1 VAL 41 -2.705 -11.855 5.980 310 HG13 VAL 41 3HG1 VAL 41 -0.985 -11.981 5.614 311 HG21 VAL 41 3HG2 VAL 41 -2.920 -8.853 5.404 312 HG22 VAL 41 1HG2 VAL 41 -2.519 -8.271 7.019 313 HG23 VAL 41 2HG2 VAL 41 -3.626 -9.630 6.820 314 H CYS 42 HN CYS 42 1.255 -10.153 8.030 315 HA CYS 42 HA CYS 42 1.926 -12.972 8.197 316 HG CYS 42 HG CYS 42 2.394 -9.585 6.359 317 HB2 CYS 42 2HB CYS 42 3.607 -12.495 6.288 318 HB3 CYS 42 1HB CYS 42 1.927 -12.818 5.872 319 H ALA 43 HN ALA 43 3.882 -13.373 9.080 320 HA ALA 43 HA ALA 43 5.255 -11.122 10.324 321 HB1 ALA 43 1HB ALA 43 6.423 -12.809 11.643 322 HB2 ALA 43 2HB ALA 43 5.669 -14.089 10.692 323 HB3 ALA 43 3HB ALA 43 4.679 -13.048 11.714 324 H GLY 44 HN GLY 44 5.745 -13.560 7.869 325 HA2 GLY 44 2HA GLY 44 8.588 -12.978 7.634 326 HA3 GLY 44 1HA GLY 44 7.682 -14.168 6.711 327 H VAL 45 HN VAL 45 6.618 -10.865 7.011 328 HA VAL 45 HA VAL 45 6.885 -10.563 4.131 329 HB VAL 45 HB VAL 45 4.722 -10.011 5.172 330 HG11 VAL 45 1HG1 VAL 45 4.495 -7.975 6.536 331 HG12 VAL 45 2HG1 VAL 45 6.252 -7.838 6.591 332 HG13 VAL 45 3HG1 VAL 45 5.452 -9.225 7.333 333 HG21 VAL 45 3HG2 VAL 45 5.346 -8.907 3.091 334 HG22 VAL 45 1HG2 VAL 45 6.127 -7.613 4.000 335 HG23 VAL 45 2HG2 VAL 45 4.382 -7.836 4.108 336 H GLU 46 HN GLU 46 8.346 -9.316 3.174 337 HA GLU 46 HA GLU 46 9.806 -7.342 4.805 338 HB2 GLU 46 2HB GLU 46 10.877 -9.491 3.406 339 HB3 GLU 46 1HB GLU 46 11.127 -8.132 2.325 340 HG2 GLU 46 2HG GLU 46 11.984 -8.199 5.206 341 HG3 GLU 46 1HG GLU 46 13.029 -8.596 3.845 342 H TYR 47 HN TYR 47 10.240 -5.322 3.775 343 HA TYR 47 HA TYR 47 8.673 -4.859 1.354 344 HD1 TYR 47 2HD TYR 47 9.378 -1.648 4.061 345 HD2 TYR 47 1HD TYR 47 7.003 -5.011 5.136 346 HE1 TYR 47 2HE TYR 47 9.745 -1.141 6.441 347 HE2 TYR 47 1HE TYR 47 7.357 -4.511 7.515 348 HH TYR 47 HH TYR 47 8.813 -1.557 8.589 349 HB2 TYR 47 2HB TYR 47 7.755 -2.737 2.456 350 HB3 TYR 47 1HB TYR 47 7.030 -4.275 2.891 351 H ASN 48 HN ASN 48 9.328 -3.310 0.048 352 HA ASN 48 HA ASN 48 11.728 -1.782 0.820 353 HB2 ASN 48 2HB ASN 48 10.808 -2.768 -1.872 354 HB3 ASN 48 1HB ASN 48 12.006 -1.506 -1.706 355 HD21 ASN 48 1HD2 ASN 48 11.957 -4.001 0.677 356 HD22 ASN 48 2HD2 ASN 48 13.383 -4.821 0.133 357 H VAL 49 HN VAL 49 11.876 0.288 -0.534 358 HA VAL 49 HA VAL 49 9.334 1.598 -0.948 359 HB VAL 49 HB VAL 49 9.644 1.733 1.510 360 HG11 VAL 49 1HG1 VAL 49 11.416 3.128 2.451 361 HG12 VAL 49 2HG1 VAL 49 12.115 3.322 0.844 362 HG13 VAL 49 3HG1 VAL 49 12.073 1.729 1.601 363 HG21 VAL 49 3HG2 VAL 49 8.395 3.484 0.376 364 HG22 VAL 49 1HG2 VAL 49 9.887 4.381 0.090 365 HG23 VAL 49 2HG2 VAL 49 9.303 4.145 1.737 366 H SER 50 HN SER 50 9.539 3.575 -2.049 367 HA SER 50 HA SER 50 11.849 3.917 -3.657 368 HG SER 50 HG SER 50 9.833 3.928 -5.252 369 HB2 SER 50 2HB SER 50 9.563 5.851 -3.190 370 HB3 SER 50 1HB SER 50 10.686 5.865 -4.550 371 H GLU 51 HN GLU 51 12.694 6.345 -3.833 372 HA GLU 51 HA GLU 51 13.963 6.862 -1.284 373 HB2 GLU 51 2HB GLU 51 15.300 8.518 -2.514 374 HB3 GLU 51 1HB GLU 51 15.334 6.947 -3.292 375 HG2 GLU 51 2HG GLU 51 13.450 9.096 -4.192 376 HG3 GLU 51 1HG GLU 51 15.113 9.028 -4.760 377 H LEU 52 HN LEU 52 13.531 8.512 0.077 378 HA LEU 52 HA LEU 52 11.185 10.118 -0.522 379 HG LEU 52 HG LEU 52 10.064 8.819 1.174 380 HB2 LEU 52 2HB LEU 52 12.803 9.732 1.990 381 HB3 LEU 52 1HB LEU 52 11.484 10.875 1.872 382 HD11 LEU 52 1HD1 LEU 52 10.797 6.705 2.098 383 HD12 LEU 52 2HD1 LEU 52 12.323 7.432 2.599 384 HD13 LEU 52 3HD1 LEU 52 11.941 7.278 0.885 385 HD21 LEU 52 3HD2 LEU 52 9.735 10.045 3.231 386 HD22 LEU 52 1HD2 LEU 52 11.076 9.184 3.988 387 HD23 LEU 52 2HD2 LEU 52 9.612 8.312 3.534 388 H THR 53 HN THR 53 11.273 12.151 -1.186 389 HA THR 53 HA THR 53 13.810 13.614 -0.871 390 HB THR 53 HB THR 53 13.349 14.666 -3.103 391 HG1 THR 53 1HG THR 53 11.614 12.469 -3.598 392 HG21 THR 53 3HG2 THR 53 13.724 11.667 -3.132 393 HG22 THR 53 1HG2 THR 53 14.995 12.862 -2.868 394 HG23 THR 53 2HG2 THR 53 14.173 12.779 -4.424 395 H GLU 54 HN GLU 54 13.087 16.018 -1.919 396 HA GLU 54 HA GLU 54 11.544 17.184 0.133 397 HB2 GLU 54 2HB GLU 54 12.148 18.452 -2.532 398 HB3 GLU 54 1HB GLU 54 11.922 19.240 -0.986 399 HG2 GLU 54 2HG GLU 54 14.258 17.541 -1.803 400 HG3 GLU 54 1HG GLU 54 14.243 19.291 -1.608 401 H GLU 55 HN GLU 55 10.862 16.253 -3.182 402 HA GLU 55 HA GLU 55 8.145 17.349 -2.951 403 HB2 GLU 55 2HB GLU 55 8.226 17.437 -5.442 404 HB3 GLU 55 1HB GLU 55 9.411 18.468 -4.653 405 HG2 GLU 55 2HG GLU 55 11.142 16.800 -5.056 406 HG3 GLU 55 1HG GLU 55 9.957 15.756 -5.839 407 H SER 56 HN SER 56 9.267 14.543 -2.292 408 HA SER 56 HA SER 56 8.147 12.804 -4.233 409 HG SER 56 HG SER 56 8.613 12.901 -0.656 410 HB2 SER 56 2HB SER 56 8.221 11.177 -2.146 411 HB3 SER 56 1HB SER 56 9.690 11.669 -2.981 412 H LYS 57 HN LYS 57 6.085 13.135 -4.716 413 HA LYS 57 HA LYS 57 4.121 12.998 -2.546 414 HB2 LYS 57 2HB LYS 57 2.569 13.613 -4.614 415 HB3 LYS 57 1HB LYS 57 3.449 14.840 -3.718 416 HG2 LYS 57 2HG LYS 57 3.765 15.367 -5.976 417 HG3 LYS 57 1HG LYS 57 5.271 14.611 -5.465 418 HD2 LYS 57 2HD LYS 57 4.525 12.492 -6.465 419 HD3 LYS 57 1HD LYS 57 3.039 13.283 -7.001 420 HE2 LYS 57 2HE LYS 57 4.385 14.866 -8.321 421 HE3 LYS 57 1HE LYS 57 5.848 14.016 -7.829 422 HZ1 LYS 57 3HZ LYS 57 5.148 13.307 -10.009 423 HZ2 LYS 57 1HZ LYS 57 3.617 12.874 -9.428 424 HZ3 LYS 57 2HZ LYS 57 4.991 12.019 -8.921 425 H GLU 58 HN GLU 58 5.773 10.967 -4.304 426 HA GLU 58 HA GLU 58 3.636 8.965 -4.340 427 HB2 GLU 58 2HB GLU 58 5.554 9.408 -6.641 428 HB3 GLU 58 1HB GLU 58 4.407 8.085 -6.509 429 HG2 GLU 58 2HG GLU 58 2.559 9.567 -6.748 430 HG3 GLU 58 1HG GLU 58 3.608 10.980 -6.617 431 H LEU 59 HN LEU 59 4.358 6.982 -3.632 432 HA LEU 59 HA LEU 59 7.173 6.345 -3.928 433 HG LEU 59 HG LEU 59 5.621 4.689 -1.000 434 HB2 LEU 59 2HB LEU 59 7.671 5.880 -1.709 435 HB3 LEU 59 1HB LEU 59 6.808 7.395 -1.628 436 HD11 LEU 59 1HD1 LEU 59 5.668 5.446 1.326 437 HD12 LEU 59 2HD1 LEU 59 6.515 6.913 0.829 438 HD13 LEU 59 3HD1 LEU 59 7.289 5.339 0.639 439 HD21 LEU 59 3HD2 LEU 59 3.757 5.987 -0.052 440 HD22 LEU 59 1HD2 LEU 59 3.924 6.231 -1.792 441 HD23 LEU 59 2HD2 LEU 59 4.491 7.467 -0.671 442 H THR 60 HN THR 60 7.598 4.183 -4.022 443 HA THR 60 HA THR 60 5.209 2.476 -4.207 444 HB THR 60 HB THR 60 7.873 2.125 -5.592 445 HG1 THR 60 1HG THR 60 5.341 3.002 -6.596 446 HG21 THR 60 3HG2 THR 60 6.769 -0.003 -5.210 447 HG22 THR 60 1HG2 THR 60 6.663 0.423 -6.918 448 HG23 THR 60 2HG2 THR 60 5.262 0.633 -5.868 449 H ALA 61 HN ALA 61 5.001 1.223 -2.499 450 HA ALA 61 HA ALA 61 7.406 0.202 -1.159 451 HB1 ALA 61 1HB ALA 61 5.803 1.349 0.279 452 HB2 ALA 61 2HB ALA 61 5.908 -0.361 0.696 453 HB3 ALA 61 3HB ALA 61 4.533 0.236 -0.233 454 H ARG 62 HN ARG 62 8.031 -1.770 -1.733 455 HA ARG 62 HA ARG 62 6.060 -3.519 -3.019 456 HE ARG 62 HE ARG 62 7.539 -5.437 -7.336 457 HB2 ARG 62 2HB ARG 62 8.568 -2.768 -3.835 458 HB3 ARG 62 1HB ARG 62 8.884 -4.329 -3.090 459 HG2 ARG 62 2HG ARG 62 7.535 -5.467 -4.594 460 HG3 ARG 62 1HG ARG 62 6.667 -4.006 -5.066 461 HD2 ARG 62 2HD ARG 62 8.917 -3.194 -5.985 462 HD3 ARG 62 1HD ARG 62 9.440 -4.872 -5.831 463 HH11 ARG 62 1HH1 ARG 62 8.887 -2.190 -7.381 464 HH12 ARG 62 2HH1 ARG 62 8.346 -1.858 -8.995 465 HH21 ARG 62 1HH2 ARG 62 6.818 -4.992 -9.415 466 HH22 ARG 62 2HH2 ARG 62 7.159 -3.452 -10.161 467 H PHE 63 HN PHE 63 5.203 -5.042 -1.808 468 HA PHE 63 HA PHE 63 6.614 -5.898 0.617 469 HD1 PHE 63 2HD PHE 63 5.034 -5.193 3.067 470 HD2 PHE 63 1HD PHE 63 3.271 -3.868 -0.575 471 HE1 PHE 63 2HE PHE 63 4.567 -3.006 4.092 472 HE2 PHE 63 1HE PHE 63 2.801 -1.681 0.447 473 HZ PHE 63 HZ PHE 63 3.448 -1.246 2.782 474 HB2 PHE 63 2HB PHE 63 3.707 -6.202 -0.185 475 HB3 PHE 63 1HB PHE 63 4.400 -6.765 1.330 476 H LYS 64 HN LYS 64 7.680 -7.743 0.509 477 HA LYS 64 HA LYS 64 6.749 -9.822 -1.341 478 HB2 LYS 64 2HB LYS 64 9.120 -9.132 -1.534 479 HB3 LYS 64 1HB LYS 64 9.383 -9.611 0.136 480 HG2 LYS 64 2HG LYS 64 8.240 -11.700 -1.578 481 HG3 LYS 64 1HG LYS 64 9.866 -11.181 -2.019 482 HD2 LYS 64 2HD LYS 64 10.674 -11.678 0.197 483 HD3 LYS 64 1HD LYS 64 9.039 -12.043 0.750 484 HE2 LYS 64 2HE LYS 64 8.923 -13.968 -0.683 485 HE3 LYS 64 1HE LYS 64 10.464 -13.556 -1.438 486 HZ1 LYS 64 3HZ LYS 64 10.234 -14.105 1.463 487 HZ2 LYS 64 1HZ LYS 64 11.631 -14.103 0.497 488 HZ3 LYS 64 2HZ LYS 64 10.486 -15.348 0.337 489 H PHE 65 HN PHE 65 5.329 -11.105 -0.438 490 HA PHE 65 HA PHE 65 5.281 -11.566 2.414 491 HD1 PHE 65 1HD PHE 65 3.334 -10.467 -0.896 492 HD2 PHE 65 2HD PHE 65 2.299 -11.035 3.189 493 HE1 PHE 65 1HE PHE 65 2.109 -8.334 -0.913 494 HE2 PHE 65 2HE PHE 65 1.074 -8.907 3.180 495 HZ PHE 65 HZ PHE 65 0.975 -7.550 1.130 496 HB2 PHE 65 2HB PHE 65 3.532 -12.666 0.200 497 HB3 PHE 65 1HB PHE 65 3.220 -12.829 1.926 498 H GLU 66 HN GLU 66 4.501 -14.142 2.730 499 HA GLU 66 HA GLU 66 6.929 -15.559 1.968 500 HB2 GLU 66 2HB GLU 66 6.348 -15.232 4.371 501 HB3 GLU 66 1HB GLU 66 4.912 -16.214 4.115 502 HG2 GLU 66 2HG GLU 66 6.114 -18.132 3.831 503 HG3 GLU 66 1HG GLU 66 7.588 -17.269 3.401 504 H VAL 67 HN VAL 67 3.402 -15.929 2.133 505 HA VAL 67 HA VAL 67 3.659 -17.915 -0.037 506 HB VAL 67 HB VAL 67 1.643 -19.044 0.732 507 HG11 VAL 67 1HG1 VAL 67 3.775 -19.882 1.529 508 HG12 VAL 67 2HG1 VAL 67 2.534 -20.085 2.766 509 HG13 VAL 67 3HG1 VAL 67 3.713 -18.781 2.906 510 HG21 VAL 67 3HG2 VAL 67 0.645 -18.535 2.912 511 HG22 VAL 67 1HG2 VAL 67 0.504 -17.177 1.796 512 HG23 VAL 67 2HG2 VAL 67 1.720 -17.146 3.074 513 H SER 68 HN SER 68 1.663 -18.053 -1.404 514 HA SER 68 HA SER 68 1.154 -15.481 -2.439 515 HG SER 68 HG SER 68 0.183 -19.131 -3.768 516 HB2 SER 68 2HB SER 68 -0.458 -16.757 -3.948 517 HB3 SER 68 1HB SER 68 1.232 -17.256 -3.998 518 H ALA 69 HN ALA 69 -0.556 -17.492 -0.227 519 HA ALA 69 HA ALA 69 -3.125 -16.401 -0.392 520 HB1 ALA 69 1HB ALA 69 -1.734 -17.439 2.079 521 HB2 ALA 69 2HB ALA 69 -2.589 -18.427 0.894 522 HB3 ALA 69 3HB ALA 69 -3.474 -17.249 1.862 523 H GLU 70 HN GLU 70 -0.408 -15.468 1.705 524 HA GLU 70 HA GLU 70 -1.637 -13.350 3.042 525 HB2 GLU 70 2HB GLU 70 1.278 -13.612 2.267 526 HB3 GLU 70 1HB GLU 70 0.635 -12.636 3.580 527 HG2 GLU 70 2HG GLU 70 0.008 -14.556 4.817 528 HG3 GLU 70 1HG GLU 70 0.318 -15.616 3.444 529 H LYS 71 HN LYS 71 0.154 -13.473 0.041 530 HA LYS 71 HA LYS 71 0.299 -10.770 -0.615 531 HB2 LYS 71 2HB LYS 71 1.345 -12.872 -1.695 532 HB3 LYS 71 1HB LYS 71 -0.136 -12.973 -2.613 533 HG2 LYS 71 2HG LYS 71 1.371 -10.411 -2.636 534 HG3 LYS 71 1HG LYS 71 1.972 -11.771 -3.583 535 HD2 LYS 71 2HD LYS 71 -0.371 -11.934 -4.550 536 HD3 LYS 71 1HD LYS 71 -0.668 -10.352 -3.826 537 HE2 LYS 71 2HE LYS 71 1.157 -9.392 -5.103 538 HE3 LYS 71 1HE LYS 71 1.563 -10.978 -5.762 539 HZ1 LYS 71 3HZ LYS 71 -0.652 -11.026 -6.799 540 HZ2 LYS 71 1HZ LYS 71 0.304 -9.741 -7.360 541 HZ3 LYS 71 2HZ LYS 71 -0.938 -9.447 -6.239 542 H LEU 72 HN LEU 72 -2.049 -13.196 -1.680 543 HA LEU 72 HA LEU 72 -3.735 -11.394 -3.059 544 HG LEU 72 HG LEU 72 -2.621 -14.278 -3.582 545 HB2 LEU 72 2HB LEU 72 -4.375 -14.100 -1.875 546 HB3 LEU 72 1HB LEU 72 -5.395 -13.233 -3.007 547 HD11 LEU 72 1HD1 LEU 72 -4.269 -16.055 -3.395 548 HD12 LEU 72 2HD1 LEU 72 -3.776 -15.834 -5.074 549 HD13 LEU 72 3HD1 LEU 72 -5.329 -15.208 -4.520 550 HD21 LEU 72 3HD2 LEU 72 -4.613 -12.901 -5.381 551 HD22 LEU 72 1HD2 LEU 72 -3.086 -13.621 -5.892 552 HD23 LEU 72 2HD2 LEU 72 -3.085 -12.227 -4.812 553 H ILE 73 HN ILE 73 -3.897 -12.679 0.252 554 HA ILE 73 HA ILE 73 -6.398 -11.580 0.914 555 HB ILE 73 HB ILE 73 -4.052 -12.282 2.681 556 HG12 ILE 73 2HG1 ILE 73 -6.685 -13.683 2.165 557 HG13 ILE 73 1HG1 ILE 73 -5.135 -14.143 1.466 558 HG21 ILE 73 1HG2 ILE 73 -5.412 -10.599 3.808 559 HG22 ILE 73 2HG2 ILE 73 -5.592 -12.175 4.577 560 HG23 ILE 73 3HG2 ILE 73 -6.860 -11.562 3.515 561 HD11 ILE 73 3HD1 ILE 73 -5.699 -15.585 3.318 562 HD12 ILE 73 1HD1 ILE 73 -5.863 -14.192 4.387 563 HD13 ILE 73 2HD1 ILE 73 -4.284 -14.610 3.722 564 H PHE 74 HN PHE 74 -3.136 -10.226 1.132 565 HA PHE 74 HA PHE 74 -3.805 -7.826 2.429 566 HD1 PHE 74 2HD PHE 74 -1.510 -6.801 3.744 567 HD2 PHE 74 1HD PHE 74 -1.322 -6.074 -0.444 568 HE1 PHE 74 2HE PHE 74 -0.704 -4.516 4.180 569 HE2 PHE 74 1HE PHE 74 -0.511 -3.793 -0.016 570 HZ PHE 74 HZ PHE 74 -0.200 -3.010 2.295 571 HB2 PHE 74 2HB PHE 74 -1.487 -8.645 2.079 572 HB3 PHE 74 1HB PHE 74 -1.636 -8.277 0.366 573 H GLU 75 HN GLU 75 -3.754 -8.703 -0.990 574 HA GLU 75 HA GLU 75 -4.502 -6.145 -1.955 575 HB2 GLU 75 2HB GLU 75 -4.516 -8.897 -3.156 576 HB3 GLU 75 1HB GLU 75 -5.190 -7.529 -4.023 577 HG2 GLU 75 2HG GLU 75 -2.966 -6.379 -3.675 578 HG3 GLU 75 1HG GLU 75 -2.356 -7.943 -3.136 579 H LEU 76 HN LEU 76 -6.342 -8.918 -0.832 580 HA LEU 76 HA LEU 76 -8.862 -8.054 -1.759 581 HG LEU 76 HG LEU 76 -7.593 -10.749 -1.820 582 HB2 LEU 76 2HB LEU 76 -7.978 -9.870 0.481 583 HB3 LEU 76 1HB LEU 76 -9.649 -9.616 0.067 584 HD11 LEU 76 1HD1 LEU 76 -7.966 -12.263 0.043 585 HD12 LEU 76 2HD1 LEU 76 -8.699 -12.898 -1.429 586 HD13 LEU 76 3HD1 LEU 76 -9.711 -12.151 -0.195 587 HD21 LEU 76 3HD2 LEU 76 -9.497 -11.347 -3.193 588 HD22 LEU 76 1HD2 LEU 76 -9.480 -9.608 -2.906 589 HD23 LEU 76 2HD2 LEU 76 -10.601 -10.638 -2.014 590 H LYS 77 HN LYS 77 -7.196 -7.762 1.369 591 HA LYS 77 HA LYS 77 -9.239 -6.394 2.717 592 HB2 LYS 77 2HB LYS 77 -6.256 -6.451 3.161 593 HB3 LYS 77 1HB LYS 77 -7.371 -5.629 4.246 594 HG2 LYS 77 2HG LYS 77 -8.548 -7.769 4.593 595 HG3 LYS 77 1HG LYS 77 -7.331 -8.565 3.597 596 HD2 LYS 77 2HD LYS 77 -5.593 -7.870 5.175 597 HD3 LYS 77 1HD LYS 77 -6.818 -7.073 6.167 598 HE2 LYS 77 2HE LYS 77 -6.693 -10.018 5.532 599 HE3 LYS 77 1HE LYS 77 -6.231 -9.272 7.059 600 HZ1 LYS 77 3HZ LYS 77 -8.962 -9.096 5.905 601 HZ2 LYS 77 1HZ LYS 77 -8.471 -8.632 7.463 602 HZ3 LYS 77 2HZ LYS 77 -8.492 -10.274 7.026 603 H THR 78 HN THR 78 -6.419 -5.146 0.954 604 HA THR 78 HA THR 78 -6.806 -2.449 1.589 605 HB THR 78 HB THR 78 -5.492 -2.024 -0.559 606 HG1 THR 78 1HG THR 78 -4.914 -4.784 -0.520 607 HG21 THR 78 3HG2 THR 78 -3.413 -2.811 0.429 608 HG22 THR 78 1HG2 THR 78 -4.308 -3.911 1.481 609 HG23 THR 78 2HG2 THR 78 -4.475 -2.167 1.680 610 H ARG 79 HN ARG 79 -8.321 -4.460 -0.849 611 HA ARG 79 HA ARG 79 -9.332 -2.389 -2.456 612 HE ARG 79 HE ARG 79 -8.856 -7.166 -4.367 613 HB2 ARG 79 2HB ARG 79 -10.040 -5.274 -2.075 614 HB3 ARG 79 1HB ARG 79 -11.031 -4.239 -3.078 615 HG2 ARG 79 2HG ARG 79 -8.759 -3.645 -4.214 616 HG3 ARG 79 1HG ARG 79 -8.239 -5.166 -3.499 617 HD2 ARG 79 2HD ARG 79 -10.786 -5.086 -5.037 618 HD3 ARG 79 1HD ARG 79 -9.262 -5.076 -5.917 619 HH11 ARG 79 1HH1 ARG 79 -11.820 -6.260 -5.998 620 HH12 ARG 79 2HH1 ARG 79 -12.297 -7.897 -6.337 621 HH21 ARG 79 1HH2 ARG 79 -9.436 -9.316 -4.862 622 HH22 ARG 79 2HH2 ARG 79 -10.926 -9.644 -5.706 623 H SER 80 HN SER 80 -10.700 -4.108 0.330 624 HA SER 80 HA SER 80 -13.164 -2.593 0.085 625 HG SER 80 HG SER 80 -14.597 -3.106 1.825 626 HB2 SER 80 2HB SER 80 -13.258 -4.996 0.632 627 HB3 SER 80 1HB SER 80 -12.366 -4.684 2.119 628 H LEU 81 HN LEU 81 -10.337 -2.723 2.151 629 HA LEU 81 HA LEU 81 -11.392 -1.042 4.193 630 HG LEU 81 HG LEU 81 -8.300 0.166 4.078 631 HB2 LEU 81 2HB LEU 81 -9.678 -2.323 4.998 632 HB3 LEU 81 1HB LEU 81 -8.782 -2.269 3.493 633 HD11 LEU 81 1HD1 LEU 81 -8.280 0.685 6.476 634 HD12 LEU 81 2HD1 LEU 81 -9.124 -0.829 6.800 635 HD13 LEU 81 3HD1 LEU 81 -9.919 0.440 5.867 636 HD21 LEU 81 3HD2 LEU 81 -6.382 -0.470 5.448 637 HD22 LEU 81 1HD2 LEU 81 -6.628 -1.586 4.103 638 HD23 LEU 81 2HD2 LEU 81 -7.117 -2.048 5.734 639 H ALA 82 HN ALA 82 -9.403 -0.571 1.322 640 HA ALA 82 HA ALA 82 -9.506 2.326 1.797 641 HB1 ALA 82 1HB ALA 82 -7.454 2.518 0.471 642 HB2 ALA 82 2HB ALA 82 -7.404 0.764 0.290 643 HB3 ALA 82 3HB ALA 82 -7.214 1.495 1.886 644 H ARG 83 HN ARG 83 -11.495 2.496 0.785 645 HA ARG 83 HA ARG 83 -11.932 1.515 -1.860 646 HE ARG 83 HE ARG 83 -16.404 2.737 -3.633 647 HB2 ARG 83 2HB ARG 83 -13.737 1.940 -0.196 648 HB3 ARG 83 1HB ARG 83 -13.475 3.661 -0.409 649 HG2 ARG 83 2HG ARG 83 -14.168 3.539 -2.699 650 HG3 ARG 83 1HG ARG 83 -14.248 1.779 -2.626 651 HD2 ARG 83 2HD ARG 83 -16.025 1.986 -0.901 652 HD3 ARG 83 1HD ARG 83 -15.988 3.733 -1.124 653 HH11 ARG 83 1HH1 ARG 83 -18.050 2.365 -0.555 654 HH12 ARG 83 2HH1 ARG 83 -19.613 2.184 -1.286 655 HH21 ARG 83 1HH2 ARG 83 -18.447 2.478 -4.574 656 HH22 ARG 83 2HH2 ARG 83 -19.848 2.231 -3.566 657 H LEU 84 HN LEU 84 -10.956 2.267 -3.503 658 HA LEU 84 HA LEU 84 -9.683 4.871 -3.463 659 HG LEU 84 HG LEU 84 -8.484 1.939 -3.453 660 HB2 LEU 84 2HB LEU 84 -9.567 2.686 -5.535 661 HB3 LEU 84 1HB LEU 84 -8.583 4.134 -5.527 662 HD11 LEU 84 1HD1 LEU 84 -7.564 1.268 -5.618 663 HD12 LEU 84 2HD1 LEU 84 -6.301 1.434 -4.402 664 HD13 LEU 84 3HD1 LEU 84 -6.523 2.692 -5.617 665 HD21 LEU 84 3HD2 LEU 84 -6.793 4.419 -3.770 666 HD22 LEU 84 1HD2 LEU 84 -6.524 3.130 -2.598 667 HD23 LEU 84 2HD2 LEU 84 -7.975 4.127 -2.494 668 H GLU 85 HN GLU 85 -11.866 5.756 -3.445 669 HA GLU 85 HA GLU 85 -13.464 7.037 -4.410 670 HB2 GLU 85 2HB GLU 85 -11.674 6.716 -6.820 671 HB3 GLU 85 1HB GLU 85 -13.059 7.800 -6.757 672 HG2 GLU 85 2HG GLU 85 -10.820 7.953 -4.771 673 HG3 GLU 85 1HG GLU 85 -10.783 8.810 -6.309 674 H HIS 86 HN HIS 86 -13.747 6.327 -7.544 675 HA HIS 86 HA HIS 86 -15.240 3.870 -7.168 676 HD1 HIS 86 1HD HIS 86 -17.700 6.608 -9.999 677 HD2 HIS 86 2HD HIS 86 -15.693 8.084 -6.674 678 HE1 HIS 86 1HE HIS 86 -17.566 9.098 -10.338 679 HE2 HIS 86 2HE HIS 86 -16.575 9.983 -8.191 680 HB2 HIS 86 2HB HIS 86 -17.246 4.850 -8.341 681 HB3 HIS 86 1HB HIS 86 -16.980 5.406 -6.698 682 H HIS 87 HN HIS 87 -13.639 2.962 -8.432 683 HA HIS 87 HA HIS 87 -13.498 3.719 -11.241 684 HD1 HIS 87 1HD HIS 87 -9.536 2.216 -11.387 685 HD2 HIS 87 2HD HIS 87 -11.731 4.728 -8.895 686 HE1 HIS 87 1HE HIS 87 -7.955 4.051 -10.699 687 HE2 HIS 87 2HE HIS 87 -9.349 5.643 -9.331 688 HB2 HIS 87 2HB HIS 87 -12.197 1.506 -9.638 689 HB3 HIS 87 1HB HIS 87 -11.996 1.676 -11.376 690 H HIS 88 HN HIS 88 -15.059 3.073 -12.579 691 HA HIS 88 HA HIS 88 -16.967 1.164 -11.626 692 HD1 HIS 88 1HD HIS 88 -17.576 1.481 -16.090 693 HD2 HIS 88 2HD HIS 88 -15.765 4.655 -14.108 694 HE1 HIS 88 1HE HIS 88 -16.471 2.860 -17.881 695 HE2 HIS 88 2HE HIS 88 -15.631 4.903 -16.675 696 HB2 HIS 88 2HB HIS 88 -18.241 1.628 -13.685 697 HB3 HIS 88 1HB HIS 88 -17.819 3.086 -12.806 698 H HIS 89 HN HIS 89 -16.015 -0.756 -11.475 699 HA HIS 89 HA HIS 89 -14.861 -2.143 -13.701 700 HD1 HIS 89 1HD HIS 89 -12.734 -4.550 -11.861 701 HD2 HIS 89 2HD HIS 89 -16.683 -5.514 -12.738 702 HE1 HIS 89 1HE HIS 89 -12.712 -6.974 -12.516 703 HE2 HIS 89 2HE HIS 89 -15.139 -7.587 -12.796 704 HB2 HIS 89 2HB HIS 89 -14.265 -2.680 -11.364 705 HB3 HIS 89 1HB HIS 89 -15.927 -3.150 -11.042 706 H HIS 90 HN HIS 90 -16.118 -2.621 -15.414 707 HA HIS 90 HA HIS 90 -18.974 -2.926 -15.039 708 HD1 HIS 90 1HD HIS 90 -16.009 -1.468 -18.276 709 HD2 HIS 90 2HD HIS 90 -17.638 -5.290 -18.420 710 HE1 HIS 90 1HE HIS 90 -14.576 -2.757 -19.894 711 HE2 HIS 90 2HE HIS 90 -15.748 -4.972 -20.152 712 HB2 HIS 90 2HB HIS 90 -19.167 -2.925 -17.439 713 HB3 HIS 90 1HB HIS 90 -18.089 -1.624 -16.962 714 H HIS 91 HN HIS 91 -20.147 -4.726 -15.953 715 HA HIS 91 HA HIS 91 -18.625 -7.243 -15.737 716 HD1 HIS 91 1HD HIS 91 -22.095 -5.489 -13.335 717 HD2 HIS 91 2HD HIS 91 -18.592 -7.673 -12.814 718 HE1 HIS 91 1HE HIS 91 -21.318 -4.976 -10.997 719 HE2 HIS 91 2HE HIS 91 -19.274 -6.409 -10.653 720 HB2 HIS 91 2HB HIS 91 -21.597 -6.882 -15.293 721 HB3 HIS 91 1HB HIS 91 -20.634 -8.314 -14.949 Start of MODEL 8 1 HA ALA 1 HA ALA 1 2.598 -7.023 -11.551 2 H1 ALA 1 1HT ALA 1 1.733 -6.458 -8.776 3 H2 ALA 1 2HT ALA 1 3.247 -7.059 -9.260 4 H3 ALA 1 3HT ALA 1 1.856 -8.004 -9.463 5 HB1 ALA 1 2HB ALA 1 -0.014 -5.888 -10.556 6 HB2 ALA 1 3HB ALA 1 0.213 -7.531 -11.154 7 HB3 ALA 1 1HB ALA 1 0.439 -6.157 -12.239 8 H GLY 2 HN GLY 2 3.980 -5.441 -9.554 9 HA2 GLY 2 2HA GLY 2 3.215 -2.675 -10.125 10 HA3 GLY 2 1HA GLY 2 4.388 -3.206 -8.930 11 H GLU 3 HN GLU 3 6.232 -2.198 -9.463 12 HA GLU 3 HA GLU 3 7.023 -2.271 -12.301 13 HB2 GLU 3 2HB GLU 3 6.675 -0.021 -11.204 14 HB3 GLU 3 1HB GLU 3 8.072 -0.378 -10.199 15 HG2 GLU 3 2HG GLU 3 8.563 1.042 -12.170 16 HG3 GLU 3 1HG GLU 3 9.511 -0.447 -12.096 17 H ILE 4 HN ILE 4 8.960 -3.079 -12.896 18 HA ILE 4 HA ILE 4 10.425 -4.587 -10.888 19 HB ILE 4 HB ILE 4 11.475 -5.609 -12.933 20 HG12 ILE 4 2HG1 ILE 4 9.220 -4.188 -14.338 21 HG13 ILE 4 1HG1 ILE 4 10.926 -3.783 -14.497 22 HG21 ILE 4 1HG2 ILE 4 8.501 -5.895 -12.612 23 HG22 ILE 4 2HG2 ILE 4 9.731 -6.730 -11.663 24 HG23 ILE 4 3HG2 ILE 4 9.569 -7.066 -13.387 25 HD11 ILE 4 3HD1 ILE 4 11.362 -5.951 -15.497 26 HD12 ILE 4 1HD1 ILE 4 10.113 -5.083 -16.390 27 HD13 ILE 4 2HD1 ILE 4 9.666 -6.396 -15.299 28 H GLY 5 HN GLY 5 12.835 -4.716 -11.220 29 HA2 GLY 5 2HA GLY 5 14.865 -3.688 -11.949 30 HA3 GLY 5 1HA GLY 5 13.961 -2.221 -12.296 31 H PHE 6 HN PHE 6 13.426 -3.947 -9.366 32 HA PHE 6 HA PHE 6 14.928 -1.902 -7.878 33 HD1 PHE 6 2HD PHE 6 13.512 0.209 -6.569 34 HD2 PHE 6 1HD PHE 6 10.925 -2.283 -8.854 35 HE1 PHE 6 2HE PHE 6 12.367 2.204 -7.448 36 HE2 PHE 6 1HE PHE 6 9.777 -0.294 -9.732 37 HZ PHE 6 HZ PHE 6 10.487 1.956 -9.026 38 HB2 PHE 6 2HB PHE 6 12.299 -3.223 -7.167 39 HB3 PHE 6 1HB PHE 6 13.226 -2.208 -6.070 40 H ILE 7 HN ILE 7 14.895 -2.909 -5.407 41 HA ILE 7 HA ILE 7 16.837 -4.903 -5.390 42 HB ILE 7 HB ILE 7 14.901 -4.256 -3.158 43 HG12 ILE 7 2HG1 ILE 7 17.619 -3.058 -3.755 44 HG13 ILE 7 1HG1 ILE 7 16.077 -2.258 -4.039 45 HG21 ILE 7 1HG2 ILE 7 16.671 -5.072 -1.678 46 HG22 ILE 7 2HG2 ILE 7 17.653 -5.490 -3.082 47 HG23 ILE 7 3HG2 ILE 7 16.129 -6.329 -2.790 48 HD11 ILE 7 3HD1 ILE 7 17.179 -3.096 -1.369 49 HD12 ILE 7 1HD1 ILE 7 15.614 -2.328 -1.636 50 HD13 ILE 7 2HD1 ILE 7 17.100 -1.453 -2.006 51 H ILE 8 HN ILE 8 13.407 -5.251 -4.431 52 HA ILE 8 HA ILE 8 13.573 -8.122 -4.923 53 HB ILE 8 HB ILE 8 11.323 -6.439 -3.800 54 HG12 ILE 8 2HG1 ILE 8 13.163 -8.429 -2.464 55 HG13 ILE 8 1HG1 ILE 8 13.314 -6.679 -2.343 56 HG21 ILE 8 1HG2 ILE 8 10.257 -8.578 -3.216 57 HG22 ILE 8 2HG2 ILE 8 11.526 -9.436 -4.092 58 HG23 ILE 8 3HG2 ILE 8 10.418 -8.372 -4.960 59 HD11 ILE 8 3HD1 ILE 8 11.119 -6.583 -1.255 60 HD12 ILE 8 1HD1 ILE 8 12.267 -7.584 -0.366 61 HD13 ILE 8 2HD1 ILE 8 11.011 -8.342 -1.345 62 H LYS 9 HN LYS 9 12.580 -9.136 -6.597 63 HA LYS 9 HA LYS 9 11.665 -7.480 -8.789 64 HB2 LYS 9 2HB LYS 9 11.758 -9.535 -10.093 65 HB3 LYS 9 1HB LYS 9 13.254 -9.315 -9.202 66 HG2 LYS 9 2HG LYS 9 12.645 -10.982 -7.617 67 HG3 LYS 9 1HG LYS 9 11.006 -11.079 -8.261 68 HD2 LYS 9 2HD LYS 9 11.959 -11.880 -10.410 69 HD3 LYS 9 1HD LYS 9 13.552 -11.899 -9.653 70 HE2 LYS 9 2HE LYS 9 12.810 -13.536 -8.044 71 HE3 LYS 9 1HE LYS 9 11.167 -13.455 -8.672 72 HZ1 LYS 9 3HZ LYS 9 13.558 -14.441 -10.135 73 HZ2 LYS 9 1HZ LYS 9 12.002 -14.307 -10.796 74 HZ3 LYS 9 2HZ LYS 9 12.295 -15.390 -9.522 75 H GLU 10 HN GLU 10 9.845 -8.835 -10.131 76 HA GLU 10 HA GLU 10 7.481 -8.635 -8.527 77 HB2 GLU 10 2HB GLU 10 8.178 -8.807 -11.361 78 HB3 GLU 10 1HB GLU 10 6.703 -9.668 -10.945 79 HG2 GLU 10 2HG GLU 10 7.179 -6.834 -10.104 80 HG3 GLU 10 1HG GLU 10 6.483 -7.253 -11.667 81 H GLY 11 HN GLY 11 5.757 -10.322 -8.880 82 HA2 GLY 11 2HA GLY 11 5.989 -12.949 -9.421 83 HA3 GLY 11 1HA GLY 11 6.735 -12.824 -7.828 84 H ASP 12 HN ASP 12 4.459 -14.351 -8.060 85 HA ASP 12 HA ASP 12 2.126 -12.763 -7.548 86 HB2 ASP 12 2HB ASP 12 2.026 -15.046 -8.566 87 HB3 ASP 12 1HB ASP 12 2.487 -15.714 -7.003 88 H GLU 13 HN GLU 13 4.708 -13.931 -5.690 89 HA GLU 13 HA GLU 13 3.293 -13.820 -3.162 90 HB2 GLU 13 2HB GLU 13 6.244 -14.209 -3.730 91 HB3 GLU 13 1HB GLU 13 5.466 -14.411 -2.168 92 HG2 GLU 13 2HG GLU 13 5.864 -16.568 -3.105 93 HG3 GLU 13 1HG GLU 13 4.129 -16.266 -3.124 94 H VAL 14 HN VAL 14 4.590 -11.617 -5.238 95 HA VAL 14 HA VAL 14 5.299 -9.744 -3.076 96 HB VAL 14 HB VAL 14 6.364 -9.703 -5.906 97 HG11 VAL 14 1HG1 VAL 14 7.132 -8.114 -3.462 98 HG12 VAL 14 2HG1 VAL 14 6.296 -7.508 -4.891 99 HG13 VAL 14 3HG1 VAL 14 7.965 -8.064 -5.016 100 HG21 VAL 14 3HG2 VAL 14 7.712 -10.654 -3.380 101 HG22 VAL 14 1HG2 VAL 14 8.504 -10.436 -4.942 102 HG23 VAL 14 2HG2 VAL 14 7.239 -11.648 -4.757 103 H ALA 15 HN ALA 15 3.896 -8.137 -2.867 104 HA ALA 15 HA ALA 15 2.341 -7.316 -5.231 105 HB1 ALA 15 1HB ALA 15 1.730 -6.883 -2.304 106 HB2 ALA 15 2HB ALA 15 0.972 -8.078 -3.356 107 HB3 ALA 15 3HB ALA 15 0.723 -6.359 -3.655 108 H ASP 16 HN ASP 16 3.472 -5.730 -6.209 109 HA ASP 16 HA ASP 16 4.773 -3.671 -4.624 110 HB2 ASP 16 2HB ASP 16 5.951 -4.517 -6.590 111 HB3 ASP 16 1HB ASP 16 4.622 -4.010 -7.618 112 H VAL 17 HN VAL 17 4.056 -1.717 -4.330 113 HA VAL 17 HA VAL 17 1.534 -0.873 -5.596 114 HB VAL 17 HB VAL 17 1.981 -0.679 -2.617 115 HG11 VAL 17 1HG1 VAL 17 0.478 0.990 -3.509 116 HG12 VAL 17 2HG1 VAL 17 -0.418 -0.183 -2.546 117 HG13 VAL 17 3HG1 VAL 17 -0.476 -0.261 -4.306 118 HG21 VAL 17 3HG2 VAL 17 0.390 -2.498 -2.317 119 HG22 VAL 17 1HG2 VAL 17 1.799 -3.043 -3.227 120 HG23 VAL 17 2HG2 VAL 17 0.284 -2.708 -4.065 121 H THR 18 HN THR 18 1.352 1.264 -5.913 122 HA THR 18 HA THR 18 3.565 2.956 -4.967 123 HB THR 18 HB THR 18 1.830 3.343 -7.410 124 HG1 THR 18 1HG THR 18 3.650 1.582 -7.172 125 HG21 THR 18 3HG2 THR 18 4.354 4.767 -6.548 126 HG22 THR 18 1HG2 THR 18 2.724 5.438 -6.468 127 HG23 THR 18 2HG2 THR 18 3.449 5.064 -8.033 128 H ILE 19 HN ILE 19 2.926 4.189 -3.317 129 HA ILE 19 HA ILE 19 0.113 5.013 -3.137 130 HB ILE 19 HB ILE 19 2.268 5.353 -1.047 131 HG12 ILE 19 2HG1 ILE 19 0.237 3.122 -1.298 132 HG13 ILE 19 1HG1 ILE 19 1.967 2.959 -1.585 133 HG21 ILE 19 1HG2 ILE 19 0.378 5.577 0.497 134 HG22 ILE 19 2HG2 ILE 19 -0.738 5.429 -0.861 135 HG23 ILE 19 3HG2 ILE 19 0.352 6.813 -0.761 136 HD11 ILE 19 3HD1 ILE 19 2.417 3.473 0.747 137 HD12 ILE 19 1HD1 ILE 19 1.313 2.105 0.608 138 HD13 ILE 19 2HD1 ILE 19 0.694 3.699 1.043 139 H PHE 20 HN PHE 20 -0.447 7.212 -2.935 140 HA PHE 20 HA PHE 20 1.676 9.153 -3.396 141 HD1 PHE 20 1HD PHE 20 -0.577 6.713 -5.795 142 HD2 PHE 20 2HD PHE 20 -2.024 10.632 -4.985 143 HE1 PHE 20 1HE PHE 20 -2.850 5.995 -6.399 144 HE2 PHE 20 2HE PHE 20 -4.299 9.920 -5.585 145 HZ PHE 20 HZ PHE 20 -4.715 7.596 -6.294 146 HB2 PHE 20 2HB PHE 20 0.321 10.214 -5.194 147 HB3 PHE 20 1HB PHE 20 0.940 8.628 -5.623 148 H ALA 21 HN ALA 21 1.169 11.273 -2.846 149 HA ALA 21 HA ALA 21 -1.360 12.192 -2.009 150 HB1 ALA 21 1HB ALA 21 -0.860 10.678 -0.077 151 HB2 ALA 21 2HB ALA 21 -1.073 12.371 0.370 152 HB3 ALA 21 3HB ALA 21 0.545 11.682 0.276 153 H GLU 22 HN GLU 22 -0.971 14.384 -0.717 154 HA GLU 22 HA GLU 22 0.800 15.821 -2.471 155 HB2 GLU 22 2HB GLU 22 -1.060 16.749 -0.288 156 HB3 GLU 22 1HB GLU 22 -0.144 17.830 -1.332 157 HG2 GLU 22 2HG GLU 22 -2.225 15.843 -2.213 158 HG3 GLU 22 1HG GLU 22 -2.419 17.592 -2.119 159 H THR 23 HN THR 23 0.967 14.707 0.808 160 HA THR 23 HA THR 23 3.451 16.248 1.130 161 HB THR 23 HB THR 23 2.958 16.287 3.607 162 HG1 THR 23 1HG THR 23 0.225 16.073 3.060 163 HG21 THR 23 3HG2 THR 23 1.065 17.788 1.793 164 HG22 THR 23 1HG2 THR 23 2.709 18.276 2.211 165 HG23 THR 23 2HG2 THR 23 1.461 18.225 3.455 166 H LYS 24 HN LYS 24 5.143 15.284 2.189 167 HA LYS 24 HA LYS 24 5.549 12.537 1.951 168 HB2 LYS 24 2HB LYS 24 7.368 14.150 2.156 169 HB3 LYS 24 1HB LYS 24 6.877 14.538 3.792 170 HG2 LYS 24 2HG LYS 24 7.491 12.327 4.547 171 HG3 LYS 24 1HG LYS 24 7.886 11.847 2.893 172 HD2 LYS 24 2HD LYS 24 9.682 13.461 2.806 173 HD3 LYS 24 1HD LYS 24 9.231 14.095 4.389 174 HE2 LYS 24 2HE LYS 24 10.091 11.247 3.930 175 HE3 LYS 24 1HE LYS 24 11.214 12.540 4.350 176 HZ1 LYS 24 3HZ LYS 24 8.877 11.697 5.990 177 HZ2 LYS 24 1HZ LYS 24 10.005 12.897 6.395 178 HZ3 LYS 24 2HZ LYS 24 10.492 11.279 6.294 179 H ASP 25 HN ASP 25 4.578 14.463 4.739 180 HA ASP 25 HA ASP 25 4.410 12.493 6.690 181 HB2 ASP 25 2HB ASP 25 4.083 14.829 7.231 182 HB3 ASP 25 1HB ASP 25 2.635 14.901 6.237 183 H ALA 26 HN ALA 26 1.989 13.435 4.282 184 HA ALA 26 HA ALA 26 -0.020 11.643 5.136 185 HB1 ALA 26 1HB ALA 26 0.417 12.769 2.371 186 HB2 ALA 26 2HB ALA 26 -0.465 13.567 3.673 187 HB3 ALA 26 3HB ALA 26 -1.077 12.061 2.990 188 H LEU 27 HN LEU 27 2.563 11.352 2.727 189 HA LEU 27 HA LEU 27 2.052 8.800 1.755 190 HG LEU 27 HG LEU 27 3.460 8.907 -0.251 191 HB2 LEU 27 2HB LEU 27 4.469 10.476 2.118 192 HB3 LEU 27 1HB LEU 27 4.744 8.767 1.880 193 HD11 LEU 27 1HD1 LEU 27 3.577 11.871 0.264 194 HD12 LEU 27 2HD1 LEU 27 2.125 10.875 0.273 195 HD13 LEU 27 3HD1 LEU 27 3.032 11.092 -1.222 196 HD21 LEU 27 3HD2 LEU 27 5.897 8.989 -0.213 197 HD22 LEU 27 1HD2 LEU 27 5.842 10.739 -0.008 198 HD23 LEU 27 2HD2 LEU 27 5.246 10.007 -1.497 199 H GLU 28 HN GLU 28 4.068 9.749 4.507 200 HA GLU 28 HA GLU 28 4.757 7.181 5.359 201 HB2 GLU 28 2HB GLU 28 4.624 9.835 6.780 202 HB3 GLU 28 1HB GLU 28 5.277 8.388 7.518 203 HG2 GLU 28 2HG GLU 28 6.955 8.239 5.741 204 HG3 GLU 28 1HG GLU 28 6.298 9.712 5.025 205 H SER 29 HN SER 29 2.074 9.298 6.303 206 HA SER 29 HA SER 29 1.175 7.765 8.472 207 HG SER 29 HG SER 29 1.371 10.628 7.787 208 HB2 SER 29 2HB SER 29 -0.354 9.645 6.663 209 HB3 SER 29 1HB SER 29 -0.941 9.026 8.202 210 H GLU 30 HN GLU 30 0.247 7.704 5.041 211 HA GLU 30 HA GLU 30 -1.733 5.677 5.444 212 HB2 GLU 30 2HB GLU 30 -1.614 7.357 3.513 213 HB3 GLU 30 1HB GLU 30 -0.388 6.305 2.823 214 HG2 GLU 30 2HG GLU 30 -1.906 4.502 2.638 215 HG3 GLU 30 1HG GLU 30 -3.127 5.345 3.587 216 H LEU 31 HN LEU 31 1.585 5.747 4.263 217 HA LEU 31 HA LEU 31 1.970 3.086 3.605 218 HG LEU 31 HG LEU 31 4.633 2.409 4.630 219 HB2 LEU 31 2HB LEU 31 3.625 4.963 3.380 220 HB3 LEU 31 1HB LEU 31 3.962 4.795 5.084 221 HD11 LEU 31 1HD1 LEU 31 4.523 3.330 1.767 222 HD12 LEU 31 2HD1 LEU 31 3.499 2.102 2.509 223 HD13 LEU 31 3HD1 LEU 31 5.231 1.819 2.337 224 HD21 LEU 31 3HD2 LEU 31 6.285 4.155 4.982 225 HD22 LEU 31 1HD2 LEU 31 6.207 4.592 3.275 226 HD23 LEU 31 2HD2 LEU 31 6.838 3.017 3.754 227 H ALA 32 HN ALA 32 2.301 4.646 6.748 228 HA ALA 32 HA ALA 32 3.083 2.465 8.285 229 HB1 ALA 32 1HB ALA 32 2.216 3.685 10.208 230 HB2 ALA 32 2HB ALA 32 1.311 4.751 9.133 231 HB3 ALA 32 3HB ALA 32 3.075 4.767 9.108 232 H LYS 33 HN LYS 33 -0.132 3.350 7.150 233 HA LYS 33 HA LYS 33 -1.477 1.429 8.774 234 HB2 LYS 33 2HB LYS 33 -2.266 3.185 6.485 235 HB3 LYS 33 1HB LYS 33 -3.340 1.907 7.021 236 HG2 LYS 33 2HG LYS 33 -2.285 4.147 8.730 237 HG3 LYS 33 1HG LYS 33 -3.914 4.030 8.058 238 HD2 LYS 33 2HD LYS 33 -4.343 2.027 9.351 239 HD3 LYS 33 1HD LYS 33 -2.687 2.027 9.954 240 HE2 LYS 33 2HE LYS 33 -3.113 4.180 11.058 241 HE3 LYS 33 1HE LYS 33 -4.782 4.125 10.488 242 HZ1 LYS 33 3HZ LYS 33 -5.191 2.187 11.783 243 HZ2 LYS 33 1HZ LYS 33 -4.462 3.327 12.804 244 HZ3 LYS 33 2HZ LYS 33 -3.555 2.026 12.198 245 H TYR 34 HN TYR 34 -0.220 1.485 5.493 246 HA TYR 34 HA TYR 34 -1.167 -1.090 4.759 247 HD1 TYR 34 1HD TYR 34 -1.230 2.054 3.915 248 HD2 TYR 34 2HD TYR 34 -0.328 -1.007 1.105 249 HE1 TYR 34 1HE TYR 34 -2.867 3.014 2.357 250 HE2 TYR 34 2HE TYR 34 -1.964 -0.050 -0.466 251 HH TYR 34 HH TYR 34 -3.258 3.035 -0.119 252 HB2 TYR 34 2HB TYR 34 1.112 0.615 3.756 253 HB3 TYR 34 1HB TYR 34 0.800 -0.991 3.108 254 H ILE 35 HN ILE 35 1.780 0.070 6.332 255 HA ILE 35 HA ILE 35 3.055 -2.446 6.571 256 HB ILE 35 HB ILE 35 3.298 -0.004 8.348 257 HG12 ILE 35 2HG1 ILE 35 5.023 -0.937 6.038 258 HG13 ILE 35 1HG1 ILE 35 3.864 0.386 5.966 259 HG21 ILE 35 1HG2 ILE 35 4.094 -2.035 9.460 260 HG22 ILE 35 2HG2 ILE 35 5.427 -0.945 9.073 261 HG23 ILE 35 3HG2 ILE 35 5.143 -2.378 8.083 262 HD11 ILE 35 3HD1 ILE 35 6.324 0.282 7.698 263 HD12 ILE 35 1HD1 ILE 35 5.167 1.610 7.630 264 HD13 ILE 35 2HD1 ILE 35 6.133 1.212 6.210 265 H GLU 36 HN GLU 36 0.752 -0.714 8.622 266 HA GLU 36 HA GLU 36 0.667 -2.461 10.772 267 HB2 GLU 36 2HB GLU 36 -0.347 -0.179 10.615 268 HB3 GLU 36 1HB GLU 36 -1.598 -0.856 9.583 269 HG2 GLU 36 2HG GLU 36 -2.132 -2.418 11.461 270 HG3 GLU 36 1HG GLU 36 -1.065 -1.443 12.465 271 H LEU 37 HN LEU 37 -1.296 -2.341 7.823 272 HA LEU 37 HA LEU 37 -2.760 -4.698 8.303 273 HG LEU 37 HG LEU 37 -3.475 -1.938 7.028 274 HB2 LEU 37 2HB LEU 37 -1.992 -3.355 5.715 275 HB3 LEU 37 1HB LEU 37 -3.125 -4.685 5.826 276 HD11 LEU 37 1HD1 LEU 37 -5.305 -1.745 5.421 277 HD12 LEU 37 2HD1 LEU 37 -4.894 -3.328 4.759 278 HD13 LEU 37 3HD1 LEU 37 -3.758 -1.986 4.613 279 HD21 LEU 37 3HD2 LEU 37 -5.728 -2.712 7.633 280 HD22 LEU 37 1HD2 LEU 37 -4.471 -3.620 8.474 281 HD23 LEU 37 2HD2 LEU 37 -5.306 -4.337 7.094 282 H ALA 38 HN ALA 38 0.404 -4.103 6.946 283 HA ALA 38 HA ALA 38 0.769 -6.615 5.707 284 HB1 ALA 38 1HB ALA 38 2.154 -4.652 5.193 285 HB2 ALA 38 2HB ALA 38 3.127 -6.058 5.625 286 HB3 ALA 38 3HB ALA 38 2.883 -4.760 6.795 287 H LYS 39 HN LYS 39 1.688 -5.404 8.925 288 HA LYS 39 HA LYS 39 2.949 -7.795 9.755 289 HB2 LYS 39 2HB LYS 39 1.686 -5.584 11.385 290 HB3 LYS 39 1HB LYS 39 2.697 -6.858 12.043 291 HG2 LYS 39 2HG LYS 39 4.581 -6.061 10.716 292 HG3 LYS 39 1HG LYS 39 3.561 -4.789 10.038 293 HD2 LYS 39 2HD LYS 39 3.223 -3.871 12.287 294 HD3 LYS 39 1HD LYS 39 4.249 -5.139 12.959 295 HE2 LYS 39 2HE LYS 39 6.129 -4.301 11.618 296 HE3 LYS 39 1HE LYS 39 5.097 -3.020 10.985 297 HZ1 LYS 39 3HZ LYS 39 5.903 -3.406 13.820 298 HZ2 LYS 39 1HZ LYS 39 4.798 -2.232 13.286 299 HZ3 LYS 39 2HZ LYS 39 6.415 -2.168 12.778 300 H SER 40 HN SER 40 -0.368 -6.719 9.781 301 HA SER 40 HA SER 40 -1.328 -8.714 11.578 302 HG SER 40 HG SER 40 -4.171 -8.740 10.423 303 HB2 SER 40 2HB SER 40 -2.497 -6.545 11.075 304 HB3 SER 40 1HB SER 40 -2.892 -7.185 9.482 305 H VAL 41 HN VAL 41 -0.662 -8.586 8.174 306 HA VAL 41 HA VAL 41 -2.076 -11.094 7.692 307 HB VAL 41 HB VAL 41 -0.628 -9.272 5.759 308 HG11 VAL 41 1HG1 VAL 41 -1.656 -10.624 4.002 309 HG12 VAL 41 2HG1 VAL 41 -2.308 -11.718 5.223 310 HG13 VAL 41 3HG1 VAL 41 -0.563 -11.582 5.000 311 HG21 VAL 41 3HG2 VAL 41 -3.574 -9.739 6.214 312 HG22 VAL 41 1HG2 VAL 41 -2.874 -8.714 4.961 313 HG23 VAL 41 2HG2 VAL 41 -2.674 -8.292 6.661 314 H CYS 42 HN CYS 42 1.210 -9.765 7.641 315 HA CYS 42 HA CYS 42 2.263 -12.496 7.603 316 HG CYS 42 HG CYS 42 3.994 -13.373 4.826 317 HB2 CYS 42 2HB CYS 42 2.182 -11.613 5.265 318 HB3 CYS 42 1HB CYS 42 3.241 -10.301 5.766 319 H ALA 43 HN ALA 43 3.659 -12.710 9.209 320 HA ALA 43 HA ALA 43 4.723 -10.403 10.575 321 HB1 ALA 43 1HB ALA 43 5.675 -12.017 12.132 322 HB2 ALA 43 2HB ALA 43 5.240 -13.338 11.047 323 HB3 ALA 43 3HB ALA 43 3.977 -12.378 11.818 324 H GLY 44 HN GLY 44 5.702 -12.321 7.967 325 HA2 GLY 44 2HA GLY 44 8.481 -11.375 8.281 326 HA3 GLY 44 1HA GLY 44 8.107 -12.975 7.655 327 H VAL 45 HN VAL 45 6.750 -9.767 7.006 328 HA VAL 45 HA VAL 45 6.885 -10.311 4.162 329 HB VAL 45 HB VAL 45 4.796 -9.435 4.990 330 HG11 VAL 45 1HG1 VAL 45 6.356 -7.050 5.966 331 HG12 VAL 45 2HG1 VAL 45 5.568 -8.272 6.964 332 HG13 VAL 45 3HG1 VAL 45 4.599 -7.194 5.961 333 HG21 VAL 45 3HG2 VAL 45 6.266 -7.342 3.390 334 HG22 VAL 45 1HG2 VAL 45 4.514 -7.485 3.529 335 HG23 VAL 45 2HG2 VAL 45 5.444 -8.762 2.743 336 H GLU 46 HN GLU 46 8.592 -9.733 3.018 337 HA GLU 46 HA GLU 46 10.391 -7.640 3.959 338 HB2 GLU 46 2HB GLU 46 10.496 -9.625 1.708 339 HB3 GLU 46 1HB GLU 46 11.593 -8.258 1.742 340 HG2 GLU 46 2HG GLU 46 12.652 -10.229 2.635 341 HG3 GLU 46 1HG GLU 46 12.468 -9.006 3.886 342 H TYR 47 HN TYR 47 10.505 -5.618 3.090 343 HA TYR 47 HA TYR 47 9.070 -5.128 0.608 344 HD1 TYR 47 1HD TYR 47 9.229 -1.798 3.273 345 HD2 TYR 47 2HD TYR 47 7.327 -5.453 4.340 346 HE1 TYR 47 1HE TYR 47 9.419 -1.195 5.650 347 HE2 TYR 47 2HE TYR 47 7.513 -4.863 6.720 348 HH TYR 47 HH TYR 47 8.411 -1.719 7.771 349 HB2 TYR 47 2HB TYR 47 7.921 -3.120 1.632 350 HB3 TYR 47 1HB TYR 47 7.290 -4.697 2.071 351 H ASN 48 HN ASN 48 9.833 -3.574 -0.602 352 HA ASN 48 HA ASN 48 11.992 -1.872 0.468 353 HB2 ASN 48 2HB ASN 48 11.400 -2.469 -2.438 354 HB3 ASN 48 1HB ASN 48 12.772 -1.575 -1.812 355 HD21 ASN 48 1HD2 ASN 48 13.349 -3.372 0.358 356 HD22 ASN 48 2HD2 ASN 48 14.002 -4.813 -0.351 357 H VAL 49 HN VAL 49 12.023 0.330 -0.634 358 HA VAL 49 HA VAL 49 9.454 1.247 -1.603 359 HB VAL 49 HB VAL 49 9.236 1.320 0.886 360 HG11 VAL 49 1HG1 VAL 49 10.469 3.035 2.140 361 HG12 VAL 49 2HG1 VAL 49 11.451 3.353 0.709 362 HG13 VAL 49 3HG1 VAL 49 11.528 1.778 1.498 363 HG21 VAL 49 3HG2 VAL 49 7.903 2.813 -0.465 364 HG22 VAL 49 1HG2 VAL 49 9.216 3.990 -0.508 365 HG23 VAL 49 2HG2 VAL 49 8.406 3.629 1.016 366 H SER 50 HN SER 50 9.584 3.464 -2.437 367 HA SER 50 HA SER 50 12.068 4.129 -3.625 368 HG SER 50 HG SER 50 9.247 5.056 -5.453 369 HB2 SER 50 2HB SER 50 9.747 6.022 -3.231 370 HB3 SER 50 1HB SER 50 10.940 6.029 -4.528 371 H GLU 51 HN GLU 51 13.004 6.425 -3.328 372 HA GLU 51 HA GLU 51 13.576 6.752 -0.504 373 HB2 GLU 51 2HB GLU 51 15.201 8.479 -1.255 374 HB3 GLU 51 1HB GLU 51 15.474 6.901 -1.973 375 HG2 GLU 51 2HG GLU 51 13.912 9.004 -3.419 376 HG3 GLU 51 1HG GLU 51 15.672 8.992 -3.446 377 H LEU 52 HN LEU 52 12.859 8.343 0.782 378 HA LEU 52 HA LEU 52 10.681 9.955 -0.257 379 HG LEU 52 HG LEU 52 10.584 7.508 1.654 380 HB2 LEU 52 2HB LEU 52 11.678 9.518 2.559 381 HB3 LEU 52 1HB LEU 52 10.273 10.468 2.134 382 HD11 LEU 52 1HD1 LEU 52 8.891 7.275 3.402 383 HD12 LEU 52 2HD1 LEU 52 8.932 9.016 3.674 384 HD13 LEU 52 3HD1 LEU 52 10.358 8.037 4.017 385 HD21 LEU 52 3HD2 LEU 52 9.187 8.580 -0.032 386 HD22 LEU 52 1HD2 LEU 52 8.224 9.338 1.235 387 HD23 LEU 52 2HD2 LEU 52 8.213 7.584 1.050 388 H THR 53 HN THR 53 10.671 12.119 -0.391 389 HA THR 53 HA THR 53 13.017 13.584 0.607 390 HB THR 53 HB THR 53 12.762 15.097 -1.408 391 HG1 THR 53 1HG THR 53 11.615 12.978 -2.811 392 HG21 THR 53 3HG2 THR 53 14.610 13.524 -1.242 393 HG22 THR 53 1HG2 THR 53 14.037 13.619 -2.906 394 HG23 THR 53 2HG2 THR 53 13.599 12.237 -1.901 395 H GLU 54 HN GLU 54 12.385 16.105 0.330 396 HA GLU 54 HA GLU 54 10.490 16.586 2.286 397 HB2 GLU 54 2HB GLU 54 10.692 18.946 1.652 398 HB3 GLU 54 1HB GLU 54 12.254 18.158 1.739 399 HG2 GLU 54 2HG GLU 54 12.298 17.958 -0.686 400 HG3 GLU 54 1HG GLU 54 10.723 18.745 -0.779 401 H GLU 55 HN GLU 55 10.127 16.721 -1.227 402 HA GLU 55 HA GLU 55 7.219 16.939 -0.819 403 HB2 GLU 55 2HB GLU 55 9.014 18.270 -2.803 404 HB3 GLU 55 1HB GLU 55 7.345 17.935 -3.235 405 HG2 GLU 55 2HG GLU 55 6.578 19.221 -1.314 406 HG3 GLU 55 1HG GLU 55 8.251 19.551 -0.867 407 H SER 56 HN SER 56 8.750 14.450 -1.032 408 HA SER 56 HA SER 56 8.145 13.348 -3.585 409 HG SER 56 HG SER 56 7.881 12.351 -0.198 410 HB2 SER 56 2HB SER 56 8.164 11.140 -2.226 411 HB3 SER 56 1HB SER 56 9.662 12.044 -2.376 412 H LYS 57 HN LYS 57 6.184 13.271 -4.385 413 HA LYS 57 HA LYS 57 3.890 13.083 -2.587 414 HB2 LYS 57 2HB LYS 57 4.111 13.702 -5.536 415 HB3 LYS 57 1HB LYS 57 2.578 13.536 -4.692 416 HG2 LYS 57 2HG LYS 57 3.299 15.384 -3.176 417 HG3 LYS 57 1HG LYS 57 4.710 15.605 -4.214 418 HD2 LYS 57 2HD LYS 57 3.299 16.118 -6.100 419 HD3 LYS 57 1HD LYS 57 1.850 15.751 -5.163 420 HE2 LYS 57 2HE LYS 57 2.464 17.600 -3.614 421 HE3 LYS 57 1HE LYS 57 3.791 18.009 -4.702 422 HZ1 LYS 57 3HZ LYS 57 2.202 18.432 -6.455 423 HZ2 LYS 57 1HZ LYS 57 1.824 19.376 -5.097 424 HZ3 LYS 57 2HZ LYS 57 0.914 17.986 -5.443 425 H GLU 58 HN GLU 58 5.895 10.951 -3.874 426 HA GLU 58 HA GLU 58 3.829 8.909 -4.115 427 HB2 GLU 58 2HB GLU 58 4.738 8.029 -6.204 428 HB3 GLU 58 1HB GLU 58 4.177 9.682 -6.422 429 HG2 GLU 58 2HG GLU 58 6.399 10.524 -6.424 430 HG3 GLU 58 1HG GLU 58 7.052 8.972 -5.903 431 H LEU 59 HN LEU 59 4.528 6.871 -3.560 432 HA LEU 59 HA LEU 59 7.359 6.305 -3.544 433 HG LEU 59 HG LEU 59 5.295 4.657 -0.869 434 HB2 LEU 59 2HB LEU 59 7.560 5.574 -1.308 435 HB3 LEU 59 1HB LEU 59 6.899 7.188 -1.264 436 HD11 LEU 59 1HD1 LEU 59 6.269 6.674 1.145 437 HD12 LEU 59 2HD1 LEU 59 6.878 5.031 0.947 438 HD13 LEU 59 3HD1 LEU 59 5.218 5.298 1.477 439 HD21 LEU 59 3HD2 LEU 59 3.940 6.481 -1.744 440 HD22 LEU 59 1HD2 LEU 59 4.535 7.544 -0.468 441 HD23 LEU 59 2HD2 LEU 59 3.540 6.146 -0.058 442 H THR 60 HN THR 60 7.761 4.310 -4.109 443 HA THR 60 HA THR 60 5.438 2.552 -4.494 444 HB THR 60 HB THR 60 8.093 2.400 -5.933 445 HG1 THR 60 1HG THR 60 5.764 3.372 -7.175 446 HG21 THR 60 3HG2 THR 60 6.782 0.337 -5.948 447 HG22 THR 60 1HG2 THR 60 6.820 1.068 -7.553 448 HG23 THR 60 2HG2 THR 60 5.381 1.225 -6.546 449 H ALA 61 HN ALA 61 5.299 0.930 -3.129 450 HA ALA 61 HA ALA 61 7.771 -0.162 -1.956 451 HB1 ALA 61 1HB ALA 61 6.537 1.146 -0.304 452 HB2 ALA 61 2HB ALA 61 6.526 -0.568 0.109 453 HB3 ALA 61 3HB ALA 61 5.093 0.175 -0.601 454 H ARG 62 HN ARG 62 8.047 -2.279 -2.194 455 HA ARG 62 HA ARG 62 5.783 -3.835 -3.231 456 HE ARG 62 HE ARG 62 8.483 -2.611 -5.793 457 HB2 ARG 62 2HB ARG 62 7.530 -5.422 -4.084 458 HB3 ARG 62 1HB ARG 62 7.539 -3.834 -4.834 459 HG2 ARG 62 2HG ARG 62 9.304 -3.528 -2.758 460 HG3 ARG 62 1HG ARG 62 9.598 -5.186 -3.295 461 HD2 ARG 62 2HD ARG 62 10.981 -3.461 -4.462 462 HD3 ARG 62 1HD ARG 62 9.997 -4.457 -5.538 463 HH11 ARG 62 1HH1 ARG 62 11.474 -1.834 -4.131 464 HH12 ARG 62 2HH1 ARG 62 11.355 -0.137 -4.444 465 HH21 ARG 62 1HH2 ARG 62 8.327 -0.422 -6.219 466 HH22 ARG 62 2HH2 ARG 62 9.548 0.676 -5.649 467 H PHE 63 HN PHE 63 4.853 -5.155 -1.896 468 HA PHE 63 HA PHE 63 6.271 -5.988 0.516 469 HD1 PHE 63 1HD PHE 63 4.801 -4.943 2.877 470 HD2 PHE 63 2HD PHE 63 2.960 -3.951 -0.831 471 HE1 PHE 63 1HE PHE 63 4.436 -2.645 3.676 472 HE2 PHE 63 2HE PHE 63 2.594 -1.653 -0.039 473 HZ PHE 63 HZ PHE 63 3.329 -0.995 2.217 474 HB2 PHE 63 2HB PHE 63 3.348 -6.243 -0.225 475 HB3 PHE 63 1HB PHE 63 4.047 -6.673 1.331 476 H LYS 64 HN LYS 64 7.448 -7.759 0.205 477 HA LYS 64 HA LYS 64 6.386 -9.959 -1.394 478 HB2 LYS 64 2HB LYS 64 8.664 -9.507 -1.892 479 HB3 LYS 64 1HB LYS 64 9.095 -9.389 -0.193 480 HG2 LYS 64 2HG LYS 64 8.018 -11.991 -1.072 481 HG3 LYS 64 1HG LYS 64 9.597 -11.542 -1.718 482 HD2 LYS 64 2HD LYS 64 10.546 -11.376 0.432 483 HD3 LYS 64 1HD LYS 64 8.966 -11.357 1.214 484 HE2 LYS 64 2HE LYS 64 8.607 -13.680 0.579 485 HE3 LYS 64 1HE LYS 64 10.158 -13.704 -0.258 486 HZ1 LYS 64 3HZ LYS 64 10.189 -12.896 2.545 487 HZ2 LYS 64 1HZ LYS 64 11.302 -13.827 1.671 488 HZ3 LYS 64 2HZ LYS 64 9.866 -14.534 2.234 489 H PHE 65 HN PHE 65 5.274 -11.499 -0.472 490 HA PHE 65 HA PHE 65 5.389 -11.778 2.443 491 HD1 PHE 65 1HD PHE 65 2.723 -11.075 3.600 492 HD2 PHE 65 2HD PHE 65 2.947 -10.705 -0.632 493 HE1 PHE 65 1HE PHE 65 1.581 -8.900 3.734 494 HE2 PHE 65 2HE PHE 65 1.804 -8.529 -0.506 495 HZ PHE 65 HZ PHE 65 1.122 -7.624 1.680 496 HB2 PHE 65 2HB PHE 65 3.366 -12.824 0.452 497 HB3 PHE 65 1HB PHE 65 3.257 -12.986 2.203 498 H GLU 66 HN GLU 66 4.859 -14.173 3.124 499 HA GLU 66 HA GLU 66 7.137 -15.673 2.184 500 HB2 GLU 66 2HB GLU 66 5.212 -15.912 4.455 501 HB3 GLU 66 1HB GLU 66 6.134 -17.326 3.972 502 HG2 GLU 66 2HG GLU 66 7.316 -14.670 4.747 503 HG3 GLU 66 1HG GLU 66 7.195 -16.083 5.799 504 H VAL 67 HN VAL 67 3.635 -15.894 2.097 505 HA VAL 67 HA VAL 67 3.939 -17.943 0.013 506 HB VAL 67 HB VAL 67 1.838 -19.010 0.710 507 HG11 VAL 67 1HG1 VAL 67 3.882 -18.879 2.919 508 HG12 VAL 67 2HG1 VAL 67 3.958 -19.918 1.496 509 HG13 VAL 67 3HG1 VAL 67 2.683 -20.151 2.692 510 HG21 VAL 67 3HG2 VAL 67 0.856 -18.524 2.896 511 HG22 VAL 67 1HG2 VAL 67 0.774 -17.129 1.823 512 HG23 VAL 67 2HG2 VAL 67 1.985 -17.184 3.104 513 H SER 68 HN SER 68 2.218 -17.957 -1.574 514 HA SER 68 HA SER 68 1.661 -15.351 -2.481 515 HG SER 68 HG SER 68 2.743 -17.230 -4.504 516 HB2 SER 68 2HB SER 68 0.207 -17.777 -3.483 517 HB3 SER 68 1HB SER 68 0.787 -16.382 -4.391 518 H ALA 69 HN ALA 69 -0.039 -17.485 -0.430 519 HA ALA 69 HA ALA 69 -2.667 -16.488 -0.747 520 HB1 ALA 69 1HB ALA 69 -1.420 -17.766 1.687 521 HB2 ALA 69 2HB ALA 69 -2.171 -18.628 0.344 522 HB3 ALA 69 3HB ALA 69 -3.147 -17.581 1.375 523 H GLU 70 HN GLU 70 -0.000 -15.564 1.402 524 HA GLU 70 HA GLU 70 -1.414 -13.721 2.991 525 HB2 GLU 70 2HB GLU 70 1.520 -13.862 2.257 526 HB3 GLU 70 1HB GLU 70 0.866 -12.794 3.487 527 HG2 GLU 70 2HG GLU 70 0.137 -14.694 4.794 528 HG3 GLU 70 1HG GLU 70 0.686 -15.798 3.534 529 H LYS 71 HN LYS 71 0.174 -13.465 -0.106 530 HA LYS 71 HA LYS 71 0.180 -10.698 -0.470 531 HB2 LYS 71 2HB LYS 71 1.165 -12.594 -1.920 532 HB3 LYS 71 1HB LYS 71 -0.417 -12.677 -2.660 533 HG2 LYS 71 2HG LYS 71 1.096 -10.095 -2.547 534 HG3 LYS 71 1HG LYS 71 1.393 -11.283 -3.815 535 HD2 LYS 71 2HD LYS 71 -1.304 -10.092 -3.180 536 HD3 LYS 71 1HD LYS 71 -0.233 -9.518 -4.458 537 HE2 LYS 71 2HE LYS 71 -1.231 -12.355 -4.290 538 HE3 LYS 71 1HE LYS 71 -2.071 -11.091 -5.185 539 HZ1 LYS 71 3HZ LYS 71 0.738 -11.911 -5.675 540 HZ2 LYS 71 1HZ LYS 71 -0.168 -10.808 -6.591 541 HZ3 LYS 71 2HZ LYS 71 -0.584 -12.458 -6.579 542 H LEU 72 HN LEU 72 -2.203 -13.091 -1.482 543 HA LEU 72 HA LEU 72 -4.116 -11.349 -2.531 544 HG LEU 72 HG LEU 72 -3.092 -14.256 -3.125 545 HB2 LEU 72 2HB LEU 72 -4.550 -14.009 -1.166 546 HB3 LEU 72 1HB LEU 72 -5.738 -13.180 -2.151 547 HD11 LEU 72 1HD1 LEU 72 -4.465 -15.888 -4.323 548 HD12 LEU 72 2HD1 LEU 72 -5.914 -15.232 -3.562 549 HD13 LEU 72 3HD1 LEU 72 -4.679 -16.021 -2.578 550 HD21 LEU 72 3HD2 LEU 72 -5.365 -12.953 -4.618 551 HD22 LEU 72 1HD2 LEU 72 -3.960 -13.721 -5.358 552 HD23 LEU 72 2HD2 LEU 72 -3.755 -12.278 -4.365 553 H ILE 73 HN ILE 73 -3.796 -12.600 0.783 554 HA ILE 73 HA ILE 73 -6.165 -11.510 1.813 555 HB ILE 73 HB ILE 73 -3.567 -12.032 3.273 556 HG12 ILE 73 2HG1 ILE 73 -6.022 -13.777 2.964 557 HG13 ILE 73 1HG1 ILE 73 -4.513 -14.001 2.084 558 HG21 ILE 73 1HG2 ILE 73 -5.020 -10.575 4.559 559 HG22 ILE 73 2HG2 ILE 73 -4.981 -12.183 5.282 560 HG23 ILE 73 3HG2 ILE 73 -6.373 -11.680 4.322 561 HD11 ILE 73 3HD1 ILE 73 -4.869 -14.195 5.065 562 HD12 ILE 73 1HD1 ILE 73 -3.352 -14.411 4.193 563 HD13 ILE 73 2HD1 ILE 73 -4.681 -15.543 3.943 564 H PHE 74 HN PHE 74 -2.923 -10.130 1.510 565 HA PHE 74 HA PHE 74 -3.454 -7.714 2.876 566 HD1 PHE 74 1HD PHE 74 -1.398 -6.454 3.908 567 HD2 PHE 74 2HD PHE 74 -0.928 -6.216 -0.315 568 HE1 PHE 74 1HE PHE 74 -0.574 -4.146 4.134 569 HE2 PHE 74 2HE PHE 74 -0.103 -3.909 -0.098 570 HZ PHE 74 HZ PHE 74 0.076 -2.871 2.129 571 HB2 PHE 74 2HB PHE 74 -1.177 -8.512 2.364 572 HB3 PHE 74 1HB PHE 74 -1.474 -8.249 0.650 573 H GLU 75 HN GLU 75 -3.591 -8.591 -0.563 574 HA GLU 75 HA GLU 75 -4.404 -6.085 -1.542 575 HB2 GLU 75 2HB GLU 75 -4.897 -8.858 -2.635 576 HB3 GLU 75 1HB GLU 75 -5.254 -7.383 -3.510 577 HG2 GLU 75 2HG GLU 75 -2.845 -6.773 -3.318 578 HG3 GLU 75 1HG GLU 75 -2.559 -8.380 -2.647 579 H LEU 76 HN LEU 76 -6.226 -8.719 -0.103 580 HA LEU 76 HA LEU 76 -8.802 -7.840 -0.790 581 HG LEU 76 HG LEU 76 -7.640 -10.617 -0.752 582 HB2 LEU 76 2HB LEU 76 -7.697 -9.523 1.443 583 HB3 LEU 76 1HB LEU 76 -9.400 -9.220 1.254 584 HD11 LEU 76 1HD1 LEU 76 -8.906 -12.614 -0.152 585 HD12 LEU 76 2HD1 LEU 76 -9.792 -11.695 1.066 586 HD13 LEU 76 3HD1 LEU 76 -8.057 -11.956 1.247 587 HD21 LEU 76 3HD2 LEU 76 -10.612 -10.102 -0.769 588 HD22 LEU 76 1HD2 LEU 76 -9.744 -11.115 -1.920 589 HD23 LEU 76 2HD2 LEU 76 -9.420 -9.384 -1.852 590 H LYS 77 HN LYS 77 -6.682 -7.185 1.955 591 HA LYS 77 HA LYS 77 -8.592 -5.619 3.378 592 HB2 LYS 77 2HB LYS 77 -5.622 -6.005 3.628 593 HB3 LYS 77 1HB LYS 77 -6.470 -4.819 4.609 594 HG2 LYS 77 2HG LYS 77 -7.874 -6.556 5.548 595 HG3 LYS 77 1HG LYS 77 -7.090 -7.763 4.526 596 HD2 LYS 77 2HD LYS 77 -5.015 -7.487 5.662 597 HD3 LYS 77 1HD LYS 77 -5.602 -6.056 6.511 598 HE2 LYS 77 2HE LYS 77 -5.561 -8.012 7.975 599 HE3 LYS 77 1HE LYS 77 -7.203 -7.420 7.735 600 HZ1 LYS 77 3HZ LYS 77 -7.549 -9.177 6.098 601 HZ2 LYS 77 1HZ LYS 77 -7.115 -9.819 7.607 602 HZ3 LYS 77 2HZ LYS 77 -5.976 -9.745 6.360 603 H THR 78 HN THR 78 -5.943 -4.844 1.148 604 HA THR 78 HA THR 78 -6.094 -2.049 1.461 605 HB THR 78 HB THR 78 -5.030 -1.982 -0.846 606 HG1 THR 78 1HG THR 78 -5.487 -3.825 -1.863 607 HG21 THR 78 3HG2 THR 78 -2.897 -2.897 -0.045 608 HG22 THR 78 1HG2 THR 78 -3.743 -3.702 1.276 609 HG23 THR 78 2HG2 THR 78 -3.702 -1.940 1.199 610 H ARG 79 HN ARG 79 -7.854 -4.286 -0.632 611 HA ARG 79 HA ARG 79 -9.171 -2.486 -2.267 612 HE ARG 79 HE ARG 79 -9.986 -5.934 -5.826 613 HB2 ARG 79 2HB ARG 79 -9.810 -5.196 -1.193 614 HB3 ARG 79 1HB ARG 79 -11.019 -4.321 -2.109 615 HG2 ARG 79 2HG ARG 79 -9.439 -4.130 -3.972 616 HG3 ARG 79 1HG ARG 79 -8.271 -5.074 -3.049 617 HD2 ARG 79 2HD ARG 79 -9.643 -7.001 -3.101 618 HD3 ARG 79 1HD ARG 79 -11.031 -6.085 -3.687 619 HH11 ARG 79 1HH1 ARG 79 -8.347 -8.045 -3.567 620 HH12 ARG 79 2HH1 ARG 79 -7.469 -8.903 -4.793 621 HH21 ARG 79 1HH2 ARG 79 -8.831 -7.035 -7.443 622 HH22 ARG 79 2HH2 ARG 79 -7.756 -8.337 -7.016 623 H SER 80 HN SER 80 -10.039 -3.631 0.974 624 HA SER 80 HA SER 80 -12.504 -2.197 0.962 625 HG SER 80 HG SER 80 -12.924 -4.390 1.162 626 HB2 SER 80 2HB SER 80 -11.069 -3.695 3.152 627 HB3 SER 80 1HB SER 80 -12.711 -3.078 3.250 628 H LEU 81 HN LEU 81 -9.300 -1.647 2.311 629 HA LEU 81 HA LEU 81 -10.181 0.561 3.926 630 HG LEU 81 HG LEU 81 -7.156 1.696 3.216 631 HB2 LEU 81 2HB LEU 81 -8.351 -0.509 4.857 632 HB3 LEU 81 1HB LEU 81 -7.576 -0.758 3.302 633 HD11 LEU 81 1HD1 LEU 81 -7.205 2.931 5.358 634 HD12 LEU 81 2HD1 LEU 81 -8.039 1.563 6.097 635 HD13 LEU 81 3HD1 LEU 81 -8.813 2.470 4.797 636 HD21 LEU 81 3HD2 LEU 81 -5.252 1.626 4.777 637 HD22 LEU 81 1HD2 LEU 81 -5.384 0.161 3.803 638 HD23 LEU 81 2HD2 LEU 81 -5.914 0.152 5.486 639 H ALA 82 HN ALA 82 -8.640 0.063 0.817 640 HA ALA 82 HA ALA 82 -8.511 2.971 0.430 641 HB1 ALA 82 1HB ALA 82 -6.782 2.553 -1.235 642 HB2 ALA 82 2HB ALA 82 -6.934 0.816 -0.973 643 HB3 ALA 82 3HB ALA 82 -6.334 1.853 0.321 644 H ARG 83 HN ARG 83 -10.687 3.065 -0.164 645 HA ARG 83 HA ARG 83 -11.925 1.673 -2.204 646 HE ARG 83 HE ARG 83 -13.973 4.229 0.801 647 HB2 ARG 83 2HB ARG 83 -13.330 3.757 -2.414 648 HB3 ARG 83 1HB ARG 83 -13.270 3.014 -0.829 649 HG2 ARG 83 2HG ARG 83 -11.655 4.672 -0.099 650 HG3 ARG 83 1HG ARG 83 -11.664 5.398 -1.708 651 HD2 ARG 83 2HD ARG 83 -13.065 6.622 -0.137 652 HD3 ARG 83 1HD ARG 83 -14.003 5.966 -1.470 653 HH11 ARG 83 1HH1 ARG 83 -15.432 7.160 -0.444 654 HH12 ARG 83 2HH1 ARG 83 -16.942 6.906 0.383 655 HH21 ARG 83 1HH2 ARG 83 -15.950 3.925 1.934 656 HH22 ARG 83 2HH2 ARG 83 -17.226 5.088 1.742 657 H LEU 84 HN LEU 84 -11.406 1.485 -4.251 658 HA LEU 84 HA LEU 84 -9.631 3.395 -5.509 659 HG LEU 84 HG LEU 84 -9.122 0.395 -4.833 660 HB2 LEU 84 2HB LEU 84 -10.842 0.825 -6.525 661 HB3 LEU 84 1HB LEU 84 -9.717 1.815 -7.430 662 HD11 LEU 84 1HD1 LEU 84 -9.315 -1.119 -6.731 663 HD12 LEU 84 2HD1 LEU 84 -7.641 -0.985 -6.194 664 HD13 LEU 84 3HD1 LEU 84 -8.173 -0.134 -7.643 665 HD21 LEU 84 3HD2 LEU 84 -7.897 2.499 -5.007 666 HD22 LEU 84 1HD2 LEU 84 -7.322 2.039 -6.610 667 HD23 LEU 84 2HD2 LEU 84 -6.815 1.119 -5.193 668 H GLU 85 HN GLU 85 -12.427 3.954 -4.792 669 HA GLU 85 HA GLU 85 -13.703 4.438 -7.371 670 HB2 GLU 85 2HB GLU 85 -14.770 5.106 -4.631 671 HB3 GLU 85 1HB GLU 85 -15.674 4.999 -6.127 672 HG2 GLU 85 2HG GLU 85 -14.300 2.633 -4.891 673 HG3 GLU 85 1HG GLU 85 -15.959 3.092 -4.511 674 H HIS 86 HN HIS 86 -14.320 6.503 -8.012 675 HA HIS 86 HA HIS 86 -13.310 8.753 -6.396 676 HD1 HIS 86 1HD HIS 86 -11.407 8.098 -10.576 677 HD2 HIS 86 2HD HIS 86 -10.854 9.078 -6.566 678 HE1 HIS 86 1HE HIS 86 -8.961 7.731 -10.113 679 HE2 HIS 86 2HE HIS 86 -8.629 8.389 -7.706 680 HB2 HIS 86 2HB HIS 86 -13.563 8.561 -9.409 681 HB3 HIS 86 1HB HIS 86 -13.238 10.060 -8.544 682 H HIS 87 HN HIS 87 -15.885 7.066 -7.614 683 HA HIS 87 HA HIS 87 -17.788 9.267 -7.451 684 HD1 HIS 87 1HD HIS 87 -19.948 6.680 -10.470 685 HD2 HIS 87 2HD HIS 87 -16.777 9.291 -9.797 686 HE1 HIS 87 1HE HIS 87 -19.489 7.778 -12.685 687 HE2 HIS 87 2HE HIS 87 -17.686 9.478 -12.213 688 HB2 HIS 87 2HB HIS 87 -18.033 6.351 -8.186 689 HB3 HIS 87 1HB HIS 87 -19.450 7.353 -7.897 690 H HIS 88 HN HIS 88 -19.892 8.558 -6.201 691 HA HIS 88 HA HIS 88 -19.023 8.142 -3.474 692 HD1 HIS 88 1HD HIS 88 -19.370 10.170 -1.983 693 HD2 HIS 88 2HD HIS 88 -21.421 11.428 -5.370 694 HE1 HIS 88 1HE HIS 88 -18.894 12.629 -2.186 695 HE2 HIS 88 2HE HIS 88 -19.940 13.304 -4.374 696 HB2 HIS 88 2HB HIS 88 -21.702 8.831 -4.675 697 HB3 HIS 88 1HB HIS 88 -21.459 8.578 -2.948 698 H HIS 89 HN HIS 89 -20.672 6.349 -5.955 699 HA HIS 89 HA HIS 89 -20.999 4.107 -6.175 700 HD1 HIS 89 1HD HIS 89 -18.332 1.772 -6.056 701 HD2 HIS 89 2HD HIS 89 -21.490 1.414 -3.366 702 HE1 HIS 89 1HE HIS 89 -18.905 -0.676 -5.995 703 HE2 HIS 89 2HE HIS 89 -20.673 -0.889 -4.212 704 HB2 HIS 89 2HB HIS 89 -18.841 3.913 -4.903 705 HB3 HIS 89 1HB HIS 89 -19.780 3.805 -3.420 706 H HIS 90 HN HIS 90 -22.767 2.837 -5.901 707 HA HIS 90 HA HIS 90 -24.329 3.166 -3.428 708 HD1 HIS 90 1HD HIS 90 -27.881 2.313 -5.954 709 HD2 HIS 90 2HD HIS 90 -24.276 3.091 -7.875 710 HE1 HIS 90 1HE HIS 90 -28.118 1.341 -8.258 711 HE2 HIS 90 2HE HIS 90 -25.837 1.595 -9.293 712 HB2 HIS 90 2HB HIS 90 -26.349 3.610 -4.529 713 HB3 HIS 90 1HB HIS 90 -25.192 4.593 -5.415 714 H HIS 91 HN HIS 91 -26.107 1.450 -3.341 715 HA HIS 91 HA HIS 91 -25.525 -0.939 -4.890 716 HD1 HIS 91 1HD HIS 91 -25.821 -3.174 -0.843 717 HD2 HIS 91 2HD HIS 91 -24.968 -3.487 -4.901 718 HE1 HIS 91 1HE HIS 91 -26.105 -5.607 -1.412 719 HE2 HIS 91 2HE HIS 91 -25.332 -5.802 -3.800 720 HB2 HIS 91 2HB HIS 91 -24.027 -1.161 -2.943 721 HB3 HIS 91 1HB HIS 91 -25.404 -0.966 -1.864 Start of MODEL 9 1 HA ALA 1 HA ALA 1 3.202 -1.361 -20.846 2 H1 ALA 1 1HT ALA 1 0.809 -1.528 -21.112 3 H2 ALA 1 2HT ALA 1 0.723 -2.576 -19.780 4 H3 ALA 1 3HT ALA 1 1.550 -3.052 -21.180 5 HB1 ALA 1 2HB ALA 1 3.177 0.002 -18.827 6 HB2 ALA 1 3HB ALA 1 1.638 -0.715 -18.352 7 HB3 ALA 1 1HB ALA 1 1.733 0.287 -19.799 8 H GLY 2 HN GLY 2 4.996 -1.616 -19.322 9 HA2 GLY 2 2HA GLY 2 4.900 -4.261 -18.031 10 HA3 GLY 2 1HA GLY 2 6.356 -3.433 -18.565 11 H GLU 3 HN GLU 3 6.272 -4.506 -16.075 12 HA GLU 3 HA GLU 3 5.649 -2.344 -14.207 13 HB2 GLU 3 2HB GLU 3 5.338 -5.081 -14.049 14 HB3 GLU 3 1HB GLU 3 6.819 -4.821 -13.139 15 HG2 GLU 3 2HG GLU 3 4.195 -3.442 -12.611 16 HG3 GLU 3 1HG GLU 3 4.814 -4.836 -11.724 17 H ILE 4 HN ILE 4 7.305 -1.838 -12.537 18 HA ILE 4 HA ILE 4 9.827 -1.263 -13.797 19 HB ILE 4 HB ILE 4 9.232 -0.866 -10.870 20 HG12 ILE 4 2HG1 ILE 4 7.305 0.017 -12.134 21 HG13 ILE 4 1HG1 ILE 4 8.239 1.312 -11.395 22 HG21 ILE 4 1HG2 ILE 4 10.671 1.124 -11.164 23 HG22 ILE 4 2HG2 ILE 4 10.939 0.648 -12.841 24 HG23 ILE 4 3HG2 ILE 4 11.501 -0.388 -11.530 25 HD11 ILE 4 3HD1 ILE 4 8.359 0.475 -14.284 26 HD12 ILE 4 1HD1 ILE 4 9.291 1.778 -13.549 27 HD13 ILE 4 2HD1 ILE 4 7.535 1.896 -13.644 28 H GLY 5 HN GLY 5 11.924 -1.782 -12.623 29 HA2 GLY 5 2HA GLY 5 12.027 -4.635 -12.261 30 HA3 GLY 5 1HA GLY 5 13.394 -3.539 -12.262 31 H PHE 6 HN PHE 6 13.057 -1.914 -10.268 32 HA PHE 6 HA PHE 6 13.534 -1.668 -8.093 33 HD1 PHE 6 2HD PHE 6 12.220 -0.699 -5.793 34 HD2 PHE 6 1HD PHE 6 9.824 -1.476 -9.223 35 HE1 PHE 6 2HE PHE 6 11.251 1.554 -5.622 36 HE2 PHE 6 1HE PHE 6 8.853 0.777 -9.059 37 HZ PHE 6 HZ PHE 6 9.566 2.296 -7.257 38 HB2 PHE 6 2HB PHE 6 11.020 -3.232 -8.193 39 HB3 PHE 6 1HB PHE 6 11.799 -3.008 -6.638 40 H ILE 7 HN ILE 7 13.461 -3.165 -5.885 41 HA ILE 7 HA ILE 7 15.768 -4.838 -6.252 42 HB ILE 7 HB ILE 7 14.189 -4.311 -3.730 43 HG12 ILE 7 2HG1 ILE 7 16.678 -2.941 -4.777 44 HG13 ILE 7 1HG1 ILE 7 15.061 -2.247 -4.790 45 HG21 ILE 7 1HG2 ILE 7 16.225 -5.000 -2.571 46 HG22 ILE 7 2HG2 ILE 7 17.001 -5.337 -4.117 47 HG23 ILE 7 3HG2 ILE 7 15.616 -6.299 -3.599 48 HD11 ILE 7 3HD1 ILE 7 15.018 -2.303 -2.351 49 HD12 ILE 7 1HD1 ILE 7 16.388 -1.372 -2.958 50 HD13 ILE 7 2HD1 ILE 7 16.636 -3.005 -2.342 51 H ILE 8 HN ILE 8 12.598 -5.415 -4.711 52 HA ILE 8 HA ILE 8 12.922 -8.273 -5.123 53 HB ILE 8 HB ILE 8 10.728 -6.710 -3.754 54 HG12 ILE 8 2HG1 ILE 8 12.933 -8.461 -2.647 55 HG13 ILE 8 1HG1 ILE 8 12.934 -6.701 -2.627 56 HG21 ILE 8 1HG2 ILE 8 11.133 -9.695 -3.918 57 HG22 ILE 8 2HG2 ILE 8 9.840 -8.780 -4.692 58 HG23 ILE 8 3HG2 ILE 8 9.923 -8.872 -2.934 59 HD11 ILE 8 3HD1 ILE 8 11.022 -8.514 -1.176 60 HD12 ILE 8 1HD1 ILE 8 10.919 -6.754 -1.215 61 HD13 ILE 8 2HD1 ILE 8 12.310 -7.539 -0.470 62 H LYS 9 HN LYS 9 11.896 -9.449 -6.617 63 HA LYS 9 HA LYS 9 10.693 -7.979 -8.797 64 HB2 LYS 9 2HB LYS 9 11.430 -10.898 -8.518 65 HB3 LYS 9 1HB LYS 9 10.886 -10.129 -10.000 66 HG2 LYS 9 2HG LYS 9 12.840 -8.697 -10.006 67 HG3 LYS 9 1HG LYS 9 13.371 -9.397 -8.478 68 HD2 LYS 9 2HD LYS 9 13.602 -11.577 -9.541 69 HD3 LYS 9 1HD LYS 9 13.036 -10.901 -11.070 70 HE2 LYS 9 2HE LYS 9 15.519 -10.048 -9.582 71 HE3 LYS 9 1HE LYS 9 15.487 -11.102 -10.995 72 HZ1 LYS 9 3HZ LYS 9 16.014 -8.872 -11.661 73 HZ2 LYS 9 1HZ LYS 9 14.632 -8.259 -10.889 74 HZ3 LYS 9 2HZ LYS 9 14.473 -9.266 -12.248 75 H GLU 10 HN GLU 10 8.808 -8.993 -9.946 76 HA GLU 10 HA GLU 10 6.596 -9.097 -8.176 77 HB2 GLU 10 2HB GLU 10 7.014 -9.272 -11.122 78 HB3 GLU 10 1HB GLU 10 5.465 -9.756 -10.459 79 HG2 GLU 10 2HG GLU 10 6.755 -7.091 -9.966 80 HG3 GLU 10 1HG GLU 10 5.555 -7.405 -11.221 81 H GLY 11 HN GLY 11 4.854 -10.808 -8.568 82 HA2 GLY 11 2HA GLY 11 5.346 -13.398 -9.380 83 HA3 GLY 11 1HA GLY 11 5.874 -13.320 -7.704 84 H ASP 12 HN ASP 12 4.273 -14.660 -6.911 85 HA ASP 12 HA ASP 12 1.565 -13.507 -6.985 86 HB2 ASP 12 2HB ASP 12 2.398 -16.405 -6.777 87 HB3 ASP 12 1HB ASP 12 0.759 -15.837 -6.480 88 H GLU 13 HN GLU 13 4.255 -14.172 -5.154 89 HA GLU 13 HA GLU 13 2.733 -13.955 -2.646 90 HB2 GLU 13 2HB GLU 13 4.810 -14.606 -1.510 91 HB3 GLU 13 1HB GLU 13 4.340 -15.811 -2.699 92 HG2 GLU 13 2HG GLU 13 6.374 -13.676 -3.271 93 HG3 GLU 13 1HG GLU 13 6.796 -15.234 -2.564 94 H VAL 14 HN VAL 14 4.078 -12.092 -4.923 95 HA VAL 14 HA VAL 14 5.003 -10.051 -3.014 96 HB VAL 14 HB VAL 14 5.767 -10.326 -5.930 97 HG11 VAL 14 1HG1 VAL 14 7.437 -8.592 -5.404 98 HG12 VAL 14 2HG1 VAL 14 6.751 -8.447 -3.784 99 HG13 VAL 14 3HG1 VAL 14 5.782 -8.016 -5.193 100 HG21 VAL 14 3HG2 VAL 14 7.361 -10.932 -3.442 101 HG22 VAL 14 1HG2 VAL 14 7.986 -10.950 -5.090 102 HG23 VAL 14 2HG2 VAL 14 6.750 -12.112 -4.603 103 H ALA 15 HN ALA 15 4.009 -8.113 -3.024 104 HA ALA 15 HA ALA 15 2.220 -7.445 -5.255 105 HB1 ALA 15 1HB ALA 15 1.491 -7.100 -2.344 106 HB2 ALA 15 2HB ALA 15 0.844 -8.347 -3.408 107 HB3 ALA 15 3HB ALA 15 0.504 -6.648 -3.735 108 H ASP 16 HN ASP 16 2.378 -5.370 -5.901 109 HA ASP 16 HA ASP 16 4.172 -3.641 -4.348 110 HB2 ASP 16 2HB ASP 16 4.935 -4.155 -6.620 111 HB3 ASP 16 1HB ASP 16 3.435 -3.510 -7.275 112 H VAL 17 HN VAL 17 3.601 -1.616 -3.805 113 HA VAL 17 HA VAL 17 0.939 -0.652 -4.603 114 HB VAL 17 HB VAL 17 1.913 -0.346 -1.781 115 HG11 VAL 17 1HG1 VAL 17 -0.820 -0.037 -2.997 116 HG12 VAL 17 2HG1 VAL 17 0.275 1.275 -2.564 117 HG13 VAL 17 3HG1 VAL 17 -0.397 0.239 -1.305 118 HG21 VAL 17 3HG2 VAL 17 1.625 -2.739 -2.156 119 HG22 VAL 17 1HG2 VAL 17 0.008 -2.452 -2.794 120 HG23 VAL 17 2HG2 VAL 17 0.357 -2.117 -1.099 121 H THR 18 HN THR 18 1.050 1.299 -5.332 122 HA THR 18 HA THR 18 3.320 3.009 -4.573 123 HB THR 18 HB THR 18 1.561 3.156 -7.030 124 HG1 THR 18 1HG THR 18 3.355 1.437 -6.662 125 HG21 THR 18 3HG2 THR 18 4.028 4.728 -6.281 126 HG22 THR 18 1HG2 THR 18 2.385 5.357 -6.356 127 HG23 THR 18 2HG2 THR 18 3.189 4.814 -7.831 128 H ILE 19 HN ILE 19 2.787 4.449 -3.080 129 HA ILE 19 HA ILE 19 -0.036 5.184 -2.783 130 HB ILE 19 HB ILE 19 2.178 5.730 -0.815 131 HG12 ILE 19 2HG1 ILE 19 0.319 3.342 -0.845 132 HG13 ILE 19 1HG1 ILE 19 2.012 3.289 -1.328 133 HG21 ILE 19 1HG2 ILE 19 0.139 7.020 -0.497 134 HG22 ILE 19 2HG2 ILE 19 0.350 5.849 0.805 135 HG23 ILE 19 3HG2 ILE 19 -0.811 5.536 -0.486 136 HD11 ILE 19 3HD1 ILE 19 2.682 3.924 0.926 137 HD12 ILE 19 1HD1 ILE 19 1.697 2.461 0.936 138 HD13 ILE 19 2HD1 ILE 19 0.988 4.004 1.411 139 H PHE 20 HN PHE 20 -0.716 7.251 -2.809 140 HA PHE 20 HA PHE 20 1.273 9.377 -3.229 141 HD1 PHE 20 2HD PHE 20 -0.851 7.043 -5.544 142 HD2 PHE 20 1HD PHE 20 1.250 10.685 -6.186 143 HE1 PHE 20 2HE PHE 20 0.128 6.109 -7.596 144 HE2 PHE 20 1HE PHE 20 2.232 9.759 -8.245 145 HZ PHE 20 HZ PHE 20 1.673 7.463 -8.948 146 HB2 PHE 20 2HB PHE 20 -1.494 9.186 -4.425 147 HB3 PHE 20 1HB PHE 20 -0.440 10.577 -4.558 148 H ALA 21 HN ALA 21 1.012 11.168 -1.982 149 HA ALA 21 HA ALA 21 -1.457 11.445 -0.430 150 HB1 ALA 21 1HB ALA 21 1.291 11.464 0.809 151 HB2 ALA 21 2HB ALA 21 0.053 10.224 1.025 152 HB3 ALA 21 3HB ALA 21 -0.215 11.856 1.637 153 H GLU 22 HN GLU 22 -1.334 13.563 0.879 154 HA GLU 22 HA GLU 22 -1.026 15.655 -1.020 155 HB2 GLU 22 2HB GLU 22 -1.494 15.957 1.945 156 HB3 GLU 22 1HB GLU 22 -1.940 17.080 0.668 157 HG2 GLU 22 2HG GLU 22 -3.110 14.332 1.040 158 HG3 GLU 22 1HG GLU 22 -3.853 15.834 1.576 159 H THR 23 HN THR 23 0.723 14.684 1.895 160 HA THR 23 HA THR 23 2.939 16.408 1.043 161 HB THR 23 HB THR 23 3.452 16.844 3.454 162 HG1 THR 23 1HG THR 23 1.922 16.374 4.995 163 HG21 THR 23 3HG2 THR 23 0.782 17.848 2.466 164 HG22 THR 23 1HG2 THR 23 2.359 18.556 2.117 165 HG23 THR 23 2HG2 THR 23 1.730 18.572 3.765 166 H LYS 24 HN LYS 24 5.006 15.799 2.065 167 HA LYS 24 HA LYS 24 5.684 13.131 1.651 168 HB2 LYS 24 2HB LYS 24 7.277 14.980 1.574 169 HB3 LYS 24 1HB LYS 24 7.068 15.262 3.290 170 HG2 LYS 24 2HG LYS 24 7.987 12.573 2.454 171 HG3 LYS 24 1HG LYS 24 9.123 13.915 2.301 172 HD2 LYS 24 2HD LYS 24 8.693 14.472 4.686 173 HD3 LYS 24 1HD LYS 24 7.693 13.024 4.806 174 HE2 LYS 24 2HE LYS 24 9.626 11.653 4.179 175 HE3 LYS 24 1HE LYS 24 10.619 13.107 4.083 176 HZ1 LYS 24 3HZ LYS 24 10.805 11.838 6.201 177 HZ2 LYS 24 1HZ LYS 24 9.196 12.251 6.542 178 HZ3 LYS 24 2HZ LYS 24 10.372 13.465 6.406 179 H ASP 25 HN ASP 25 5.046 14.870 4.660 180 HA ASP 25 HA ASP 25 5.543 12.702 6.414 181 HB2 ASP 25 2HB ASP 25 5.467 15.060 7.134 182 HB3 ASP 25 1HB ASP 25 3.742 15.104 6.802 183 H ALA 26 HN ALA 26 2.606 13.864 4.837 184 HA ALA 26 HA ALA 26 0.811 12.060 6.059 185 HB1 ALA 26 1HB ALA 26 0.628 13.349 3.339 186 HB2 ALA 26 2HB ALA 26 0.047 14.040 4.854 187 HB3 ALA 26 3HB ALA 26 -0.700 12.579 4.208 188 H LEU 27 HN LEU 27 2.830 11.847 3.187 189 HA LEU 27 HA LEU 27 1.979 9.443 2.112 190 HG LEU 27 HG LEU 27 4.045 8.313 0.840 191 HB2 LEU 27 2HB LEU 27 3.737 11.229 1.369 192 HB3 LEU 27 1HB LEU 27 4.865 10.236 2.261 193 HD11 LEU 27 1HD1 LEU 27 2.048 9.317 -0.048 194 HD12 LEU 27 2HD1 LEU 27 3.158 8.908 -1.357 195 HD13 LEU 27 3HD1 LEU 27 3.004 10.581 -0.822 196 HD21 LEU 27 3HD2 LEU 27 5.567 8.917 -1.004 197 HD22 LEU 27 1HD2 LEU 27 6.246 9.271 0.585 198 HD23 LEU 27 2HD2 LEU 27 5.589 10.575 -0.403 199 H GLU 28 HN GLU 28 4.533 10.118 4.458 200 HA GLU 28 HA GLU 28 5.294 7.514 5.068 201 HB2 GLU 28 2HB GLU 28 5.287 10.022 6.737 202 HB3 GLU 28 1HB GLU 28 6.073 8.536 7.223 203 HG2 GLU 28 2HG GLU 28 7.495 8.657 5.225 204 HG3 GLU 28 1HG GLU 28 6.725 10.187 4.806 205 H SER 29 HN SER 29 2.732 9.527 6.432 206 HA SER 29 HA SER 29 2.052 7.869 8.594 207 HG SER 29 HG SER 29 2.280 10.664 7.952 208 HB2 SER 29 2HB SER 29 0.279 9.785 7.062 209 HB3 SER 29 1HB SER 29 -0.019 9.162 8.683 210 H GLU 30 HN GLU 30 0.684 8.098 5.318 211 HA GLU 30 HA GLU 30 -1.221 6.035 5.733 212 HB2 GLU 30 2HB GLU 30 -0.499 7.861 3.652 213 HB3 GLU 30 1HB GLU 30 -0.621 6.243 2.976 214 HG2 GLU 30 2HG GLU 30 -2.734 7.463 2.832 215 HG3 GLU 30 1HG GLU 30 -2.873 6.019 3.832 216 H LEU 31 HN LEU 31 2.064 6.117 4.455 217 HA LEU 31 HA LEU 31 2.312 3.511 3.510 218 HG LEU 31 HG LEU 31 5.027 2.752 4.727 219 HB2 LEU 31 2HB LEU 31 4.059 5.238 3.323 220 HB3 LEU 31 1HB LEU 31 4.352 5.126 5.041 221 HD11 LEU 31 1HD1 LEU 31 4.860 3.433 1.798 222 HD12 LEU 31 2HD1 LEU 31 3.834 2.290 2.662 223 HD13 LEU 31 3HD1 LEU 31 5.557 1.964 2.480 224 HD21 LEU 31 3HD2 LEU 31 6.709 4.484 4.898 225 HD22 LEU 31 1HD2 LEU 31 6.580 4.814 3.171 226 HD23 LEU 31 2HD2 LEU 31 7.213 3.266 3.728 227 H ALA 32 HN ALA 32 2.897 4.774 6.751 228 HA ALA 32 HA ALA 32 3.606 2.409 8.031 229 HB1 ALA 32 1HB ALA 32 3.009 3.527 10.112 230 HB2 ALA 32 2HB ALA 32 2.124 4.756 9.208 231 HB3 ALA 32 3HB ALA 32 3.873 4.621 9.032 232 H LYS 33 HN LYS 33 0.412 3.629 7.202 233 HA LYS 33 HA LYS 33 -1.073 1.812 8.779 234 HB2 LYS 33 2HB LYS 33 -1.809 3.264 6.231 235 HB3 LYS 33 1HB LYS 33 -2.937 2.402 7.257 236 HG2 LYS 33 2HG LYS 33 -1.324 4.807 8.056 237 HG3 LYS 33 1HG LYS 33 -3.039 4.797 7.639 238 HD2 LYS 33 2HD LYS 33 -3.454 3.261 9.526 239 HD3 LYS 33 1HD LYS 33 -1.748 3.370 9.964 240 HE2 LYS 33 2HE LYS 33 -3.751 5.621 9.924 241 HE3 LYS 33 1HE LYS 33 -3.058 4.855 11.351 242 HZ1 LYS 33 3HZ LYS 33 -1.871 6.834 11.038 243 HZ2 LYS 33 1HZ LYS 33 -1.697 6.586 9.366 244 HZ3 LYS 33 2HZ LYS 33 -0.842 5.615 10.467 245 H TYR 34 HN TYR 34 0.101 1.743 5.449 246 HA TYR 34 HA TYR 34 -1.050 -0.770 4.791 247 HD1 TYR 34 2HD TYR 34 -1.285 -1.200 1.804 248 HD2 TYR 34 1HD TYR 34 -0.421 2.719 3.208 249 HE1 TYR 34 2HE TYR 34 -3.073 -0.306 0.378 250 HE2 TYR 34 1HE TYR 34 -2.211 3.628 1.786 251 HH TYR 34 HH TYR 34 -3.410 2.954 -0.329 252 HB2 TYR 34 2HB TYR 34 1.138 0.892 3.577 253 HB3 TYR 34 1HB TYR 34 0.798 -0.725 2.973 254 H ILE 35 HN ILE 35 2.096 0.205 6.077 255 HA ILE 35 HA ILE 35 3.331 -2.319 6.045 256 HB ILE 35 HB ILE 35 3.721 -0.066 8.030 257 HG12 ILE 35 2HG1 ILE 35 5.263 -0.753 5.515 258 HG13 ILE 35 1HG1 ILE 35 4.114 0.573 5.669 259 HG21 ILE 35 1HG2 ILE 35 5.456 -2.454 7.420 260 HG22 ILE 35 2HG2 ILE 35 4.599 -2.128 8.926 261 HG23 ILE 35 3HG2 ILE 35 5.932 -1.087 8.424 262 HD11 ILE 35 3HD1 ILE 35 6.687 0.285 7.203 263 HD12 ILE 35 1HD1 ILE 35 5.544 1.619 7.344 264 HD13 ILE 35 2HD1 ILE 35 6.409 1.355 5.829 265 H GLU 36 HN GLU 36 1.324 -0.729 8.485 266 HA GLU 36 HA GLU 36 1.388 -2.731 10.432 267 HB2 GLU 36 2HB GLU 36 -0.025 -0.289 9.942 268 HB3 GLU 36 1HB GLU 36 -1.181 -1.511 10.449 269 HG2 GLU 36 2HG GLU 36 1.302 -0.686 11.933 270 HG3 GLU 36 1HG GLU 36 -0.355 -0.251 12.343 271 H LEU 37 HN LEU 37 -0.812 -2.220 7.718 272 HA LEU 37 HA LEU 37 -2.544 -4.365 8.190 273 HG LEU 37 HG LEU 37 -4.476 -3.778 6.888 274 HB2 LEU 37 2HB LEU 37 -2.472 -2.339 6.433 275 HB3 LEU 37 1HB LEU 37 -1.867 -3.614 5.395 276 HD11 LEU 37 1HD1 LEU 37 -5.550 -3.269 4.752 277 HD12 LEU 37 2HD1 LEU 37 -3.969 -2.999 4.020 278 HD13 LEU 37 3HD1 LEU 37 -4.543 -1.929 5.299 279 HD21 LEU 37 3HD2 LEU 37 -4.957 -5.575 5.281 280 HD22 LEU 37 1HD2 LEU 37 -3.556 -5.943 6.287 281 HD23 LEU 37 2HD2 LEU 37 -3.330 -5.405 4.623 282 H ALA 38 HN ALA 38 0.563 -4.157 6.565 283 HA ALA 38 HA ALA 38 0.450 -6.735 5.351 284 HB1 ALA 38 1HB ALA 38 1.852 -4.933 4.465 285 HB2 ALA 38 2HB ALA 38 2.800 -6.378 4.823 286 HB3 ALA 38 3HB ALA 38 2.848 -4.996 5.919 287 H LYS 39 HN LYS 39 2.012 -5.459 8.270 288 HA LYS 39 HA LYS 39 3.227 -7.917 9.003 289 HB2 LYS 39 2HB LYS 39 2.694 -5.349 10.464 290 HB3 LYS 39 1HB LYS 39 3.361 -6.745 11.299 291 HG2 LYS 39 2HG LYS 39 5.253 -6.774 9.789 292 HG3 LYS 39 1HG LYS 39 4.574 -5.415 8.890 293 HD2 LYS 39 2HD LYS 39 4.865 -3.944 10.727 294 HD3 LYS 39 1HD LYS 39 5.222 -5.278 11.829 295 HE2 LYS 39 2HE LYS 39 6.912 -4.550 9.446 296 HE3 LYS 39 1HE LYS 39 7.218 -3.968 11.082 297 HZ1 LYS 39 3HZ LYS 39 7.830 -6.045 11.804 298 HZ2 LYS 39 1HZ LYS 39 8.434 -6.065 10.222 299 HZ3 LYS 39 2HZ LYS 39 6.980 -6.863 10.590 300 H SER 40 HN SER 40 0.069 -6.624 9.411 301 HA SER 40 HA SER 40 -0.724 -8.320 11.564 302 HG SER 40 HG SER 40 -2.926 -8.257 11.940 303 HB2 SER 40 2HB SER 40 -1.877 -6.173 10.952 304 HB3 SER 40 1HB SER 40 -2.487 -6.968 9.503 305 H VAL 41 HN VAL 41 -0.395 -8.673 8.144 306 HA VAL 41 HA VAL 41 -1.965 -11.137 8.121 307 HB VAL 41 HB VAL 41 -0.571 -9.702 5.850 308 HG11 VAL 41 1HG1 VAL 41 -2.499 -12.023 5.772 309 HG12 VAL 41 2HG1 VAL 41 -0.768 -12.112 5.456 310 HG13 VAL 41 3HG1 VAL 41 -1.812 -11.192 4.375 311 HG21 VAL 41 3HG2 VAL 41 -2.426 -8.410 6.726 312 HG22 VAL 41 1HG2 VAL 41 -3.483 -9.818 6.628 313 HG23 VAL 41 2HG2 VAL 41 -2.851 -9.087 5.153 314 H CYS 42 HN CYS 42 1.361 -10.025 7.473 315 HA CYS 42 HA CYS 42 2.279 -12.767 7.879 316 HG CYS 42 HG CYS 42 2.645 -9.359 6.055 317 HB2 CYS 42 2HB CYS 42 3.952 -12.294 6.026 318 HB3 CYS 42 1HB CYS 42 2.288 -12.545 5.516 319 H ALA 43 HN ALA 43 3.972 -12.926 9.173 320 HA ALA 43 HA ALA 43 5.279 -10.527 10.163 321 HB1 ALA 43 1HB ALA 43 4.587 -12.237 11.768 322 HB2 ALA 43 2HB ALA 43 6.337 -12.019 11.789 323 HB3 ALA 43 3HB ALA 43 5.631 -13.414 10.972 324 H GLY 44 HN GLY 44 5.831 -13.118 7.957 325 HA2 GLY 44 2HA GLY 44 8.711 -12.561 7.830 326 HA3 GLY 44 1HA GLY 44 7.891 -13.926 7.085 327 H VAL 45 HN VAL 45 7.341 -10.438 6.974 328 HA VAL 45 HA VAL 45 7.269 -10.600 4.053 329 HB VAL 45 HB VAL 45 5.241 -9.758 5.169 330 HG11 VAL 45 1HG1 VAL 45 5.240 -7.574 6.279 331 HG12 VAL 45 2HG1 VAL 45 6.997 -7.509 6.140 332 HG13 VAL 45 3HG1 VAL 45 6.240 -8.750 7.135 333 HG21 VAL 45 3HG2 VAL 45 5.723 -8.985 2.919 334 HG22 VAL 45 1HG2 VAL 45 6.708 -7.669 3.557 335 HG23 VAL 45 2HG2 VAL 45 4.970 -7.693 3.855 336 H GLU 46 HN GLU 46 8.796 -9.629 2.847 337 HA GLU 46 HA GLU 46 10.553 -7.650 4.140 338 HB2 GLU 46 2HB GLU 46 10.920 -9.088 1.500 339 HB3 GLU 46 1HB GLU 46 12.049 -7.941 2.199 340 HG2 GLU 46 2HG GLU 46 13.058 -9.860 2.824 341 HG3 GLU 46 1HG GLU 46 11.983 -9.662 4.207 342 H TYR 47 HN TYR 47 10.498 -5.534 3.477 343 HA TYR 47 HA TYR 47 8.904 -4.988 1.078 344 HD1 TYR 47 1HD TYR 47 9.550 -1.715 3.785 345 HD2 TYR 47 2HD TYR 47 7.682 -5.349 4.965 346 HE1 TYR 47 1HE TYR 47 10.100 -1.228 6.130 347 HE2 TYR 47 2HE TYR 47 8.227 -4.875 7.317 348 HH TYR 47 HH TYR 47 9.334 -1.808 8.369 349 HB2 TYR 47 2HB TYR 47 8.018 -2.924 2.280 350 HB3 TYR 47 1HB TYR 47 7.350 -4.477 2.748 351 H ASN 48 HN ASN 48 9.571 -3.466 -0.242 352 HA ASN 48 HA ASN 48 11.988 -1.949 0.512 353 HB2 ASN 48 2HB ASN 48 10.940 -2.318 -2.289 354 HB3 ASN 48 1HB ASN 48 12.491 -1.668 -1.811 355 HD21 ASN 48 1HD2 ASN 48 13.043 -3.686 0.170 356 HD22 ASN 48 2HD2 ASN 48 13.430 -5.126 -0.703 357 H VAL 49 HN VAL 49 12.082 0.233 -0.159 358 HA VAL 49 HA VAL 49 9.579 1.572 -0.825 359 HB VAL 49 HB VAL 49 11.222 2.375 1.597 360 HG11 VAL 49 1HG1 VAL 49 8.652 3.520 0.515 361 HG12 VAL 49 2HG1 VAL 49 10.243 4.276 0.424 362 HG13 VAL 49 3HG1 VAL 49 9.471 4.030 1.991 363 HG21 VAL 49 3HG2 VAL 49 9.920 0.379 2.099 364 HG22 VAL 49 1HG2 VAL 49 8.461 1.162 1.493 365 HG23 VAL 49 2HG2 VAL 49 9.255 1.779 2.940 366 H SER 50 HN SER 50 9.952 3.321 -2.119 367 HA SER 50 HA SER 50 12.535 3.770 -3.164 368 HG SER 50 HG SER 50 9.514 6.127 -3.005 369 HB2 SER 50 2HB SER 50 11.335 5.902 -4.087 370 HB3 SER 50 1HB SER 50 10.837 4.313 -4.654 371 H GLU 51 HN GLU 51 13.282 6.195 -3.315 372 HA GLU 51 HA GLU 51 14.020 6.888 -0.614 373 HB2 GLU 51 2HB GLU 51 15.468 8.582 -1.651 374 HB3 GLU 51 1HB GLU 51 15.717 6.995 -2.363 375 HG2 GLU 51 2HG GLU 51 14.423 7.617 -4.300 376 HG3 GLU 51 1HG GLU 51 14.040 9.179 -3.579 377 H LEU 52 HN LEU 52 13.416 8.661 0.534 378 HA LEU 52 HA LEU 52 11.070 10.078 -0.476 379 HG LEU 52 HG LEU 52 11.149 7.789 1.641 380 HB2 LEU 52 2HB LEU 52 12.245 9.895 2.300 381 HB3 LEU 52 1HB LEU 52 10.792 10.776 1.880 382 HD11 LEU 52 1HD1 LEU 52 9.532 7.689 3.484 383 HD12 LEU 52 2HD1 LEU 52 9.571 9.448 3.604 384 HD13 LEU 52 3HD1 LEU 52 11.020 8.507 3.958 385 HD21 LEU 52 3HD2 LEU 52 8.718 9.517 1.195 386 HD22 LEU 52 1HD2 LEU 52 8.755 7.754 1.155 387 HD23 LEU 52 2HD2 LEU 52 9.638 8.684 -0.058 388 H THR 53 HN THR 53 10.970 12.322 -0.545 389 HA THR 53 HA THR 53 13.495 13.744 -0.068 390 HB THR 53 HB THR 53 12.966 15.147 -2.101 391 HG1 THR 53 1HG THR 53 11.184 14.734 -3.136 392 HG21 THR 53 3HG2 THR 53 13.533 12.221 -2.585 393 HG22 THR 53 1HG2 THR 53 14.723 13.448 -2.148 394 HG23 THR 53 2HG2 THR 53 13.890 13.539 -3.701 395 H GLU 54 HN GLU 54 12.684 16.273 -0.721 396 HA GLU 54 HA GLU 54 11.260 17.031 1.580 397 HB2 GLU 54 2HB GLU 54 11.894 18.586 -0.929 398 HB3 GLU 54 1HB GLU 54 11.359 19.285 0.589 399 HG2 GLU 54 2HG GLU 54 13.359 18.647 1.690 400 HG3 GLU 54 1HG GLU 54 13.859 17.649 0.324 401 H GLU 55 HN GLU 55 10.293 16.612 -1.790 402 HA GLU 55 HA GLU 55 7.531 17.242 -0.995 403 HB2 GLU 55 2HB GLU 55 8.946 17.775 -3.604 404 HB3 GLU 55 1HB GLU 55 7.217 17.962 -3.369 405 HG2 GLU 55 2HG GLU 55 7.643 19.659 -1.653 406 HG3 GLU 55 1HG GLU 55 9.376 19.475 -1.924 407 H SER 56 HN SER 56 8.908 14.595 -1.044 408 HA SER 56 HA SER 56 7.954 13.160 -3.286 409 HG SER 56 HG SER 56 8.285 12.595 0.265 410 HB2 SER 56 2HB SER 56 8.103 11.180 -1.547 411 HB3 SER 56 1HB SER 56 9.555 11.935 -2.190 412 H LYS 57 HN LYS 57 5.895 13.486 -3.767 413 HA LYS 57 HA LYS 57 3.848 13.041 -1.736 414 HB2 LYS 57 2HB LYS 57 3.652 14.065 -4.578 415 HB3 LYS 57 1HB LYS 57 2.293 13.906 -3.472 416 HG2 LYS 57 2HG LYS 57 3.196 15.566 -2.011 417 HG3 LYS 57 1HG LYS 57 4.706 15.614 -2.921 418 HD2 LYS 57 2HD LYS 57 3.519 16.501 -4.863 419 HD3 LYS 57 1HD LYS 57 1.996 16.437 -3.970 420 HE2 LYS 57 2HE LYS 57 2.878 18.028 -2.341 421 HE3 LYS 57 1HE LYS 57 4.416 18.070 -3.200 422 HZ1 LYS 57 3HZ LYS 57 2.878 19.953 -3.678 423 HZ2 LYS 57 1HZ LYS 57 1.833 18.854 -4.436 424 HZ3 LYS 57 2HZ LYS 57 3.396 19.109 -5.050 425 H GLU 58 HN GLU 58 5.657 11.175 -3.619 426 HA GLU 58 HA GLU 58 3.605 9.107 -3.693 427 HB2 GLU 58 2HB GLU 58 4.081 8.417 -5.961 428 HB3 GLU 58 1HB GLU 58 3.582 10.103 -5.970 429 HG2 GLU 58 2HG GLU 58 5.731 10.863 -6.432 430 HG3 GLU 58 1HG GLU 58 6.475 9.344 -5.934 431 H LEU 59 HN LEU 59 4.436 7.018 -3.560 432 HA LEU 59 HA LEU 59 7.271 6.580 -3.846 433 HG LEU 59 HG LEU 59 5.833 4.555 -1.091 434 HB2 LEU 59 2HB LEU 59 7.807 5.907 -1.685 435 HB3 LEU 59 1HB LEU 59 6.880 7.367 -1.436 436 HD11 LEU 59 1HD1 LEU 59 5.823 5.137 1.302 437 HD12 LEU 59 2HD1 LEU 59 6.649 6.646 0.916 438 HD13 LEU 59 3HD1 LEU 59 7.445 5.100 0.612 439 HD21 LEU 59 3HD2 LEU 59 3.881 5.600 -0.092 440 HD22 LEU 59 1HD2 LEU 59 4.082 6.136 -1.759 441 HD23 LEU 59 2HD2 LEU 59 4.544 7.200 -0.430 442 H THR 60 HN THR 60 7.798 4.328 -3.893 443 HA THR 60 HA THR 60 5.426 2.665 -4.431 444 HB THR 60 HB THR 60 8.159 2.423 -5.709 445 HG1 THR 60 1HG THR 60 5.786 3.297 -7.003 446 HG21 THR 60 3HG2 THR 60 7.018 0.924 -7.271 447 HG22 THR 60 1HG2 THR 60 5.515 1.117 -6.369 448 HG23 THR 60 2HG2 THR 60 6.899 0.321 -5.618 449 H ALA 61 HN ALA 61 5.141 1.108 -3.009 450 HA ALA 61 HA ALA 61 7.452 0.164 -1.455 451 HB1 ALA 61 1HB ALA 61 5.699 1.225 -0.126 452 HB2 ALA 61 2HB ALA 61 5.830 -0.493 0.257 453 HB3 ALA 61 3HB ALA 61 4.515 0.086 -0.766 454 H ARG 62 HN ARG 62 8.159 -1.791 -1.871 455 HA ARG 62 HA ARG 62 6.481 -3.645 -3.408 456 HE ARG 62 HE ARG 62 7.121 -3.356 -5.707 457 HB2 ARG 62 2HB ARG 62 8.707 -3.005 -4.306 458 HB3 ARG 62 1HB ARG 62 9.460 -3.663 -2.865 459 HG2 ARG 62 2HG ARG 62 9.662 -5.187 -4.740 460 HG3 ARG 62 1HG ARG 62 8.677 -5.893 -3.458 461 HD2 ARG 62 2HD ARG 62 7.815 -6.226 -5.793 462 HD3 ARG 62 1HD ARG 62 6.681 -5.503 -4.659 463 HH11 ARG 62 1HH1 ARG 62 8.226 -6.186 -7.448 464 HH12 ARG 62 2HH1 ARG 62 8.092 -5.433 -9.005 465 HH21 ARG 62 1HH2 ARG 62 6.952 -2.367 -7.706 466 HH22 ARG 62 2HH2 ARG 62 7.329 -3.247 -9.167 467 H PHE 63 HN PHE 63 5.455 -5.180 -2.254 468 HA PHE 63 HA PHE 63 6.586 -5.930 0.356 469 HD1 PHE 63 2HD PHE 63 5.065 -5.253 2.646 470 HD2 PHE 63 1HD PHE 63 3.318 -3.784 -0.943 471 HE1 PHE 63 2HE PHE 63 4.663 -3.084 3.737 472 HE2 PHE 63 1HE PHE 63 2.910 -1.611 0.140 473 HZ PHE 63 HZ PHE 63 3.584 -1.260 2.484 474 HB2 PHE 63 2HB PHE 63 3.757 -6.091 -0.692 475 HB3 PHE 63 1HB PHE 63 4.267 -6.766 0.851 476 H LYS 64 HN LYS 64 7.582 -7.777 0.466 477 HA LYS 64 HA LYS 64 6.890 -9.965 -1.371 478 HB2 LYS 64 2HB LYS 64 9.297 -9.027 -0.956 479 HB3 LYS 64 1HB LYS 64 9.217 -9.934 0.541 480 HG2 LYS 64 2HG LYS 64 9.131 -11.012 -2.265 481 HG3 LYS 64 1HG LYS 64 10.392 -11.237 -1.055 482 HD2 LYS 64 2HD LYS 64 8.397 -12.281 0.319 483 HD3 LYS 64 1HD LYS 64 7.724 -12.529 -1.292 484 HE2 LYS 64 2HE LYS 64 8.884 -14.500 -0.851 485 HE3 LYS 64 1HE LYS 64 9.992 -13.573 -1.862 486 HZ1 LYS 64 3HZ LYS 64 11.123 -12.838 0.176 487 HZ2 LYS 64 1HZ LYS 64 11.172 -14.523 -0.013 488 HZ3 LYS 64 2HZ LYS 64 10.098 -13.821 1.096 489 H PHE 65 HN PHE 65 5.216 -11.078 -0.472 490 HA PHE 65 HA PHE 65 5.082 -11.506 2.391 491 HD1 PHE 65 2HD PHE 65 3.433 -10.256 -0.893 492 HD2 PHE 65 1HD PHE 65 1.892 -10.883 3.020 493 HE1 PHE 65 2HE PHE 65 2.312 -8.072 -0.993 494 HE2 PHE 65 1HE PHE 65 0.763 -8.699 2.929 495 HZ PHE 65 HZ PHE 65 0.975 -7.288 0.919 496 HB2 PHE 65 2HB PHE 65 3.282 -12.548 0.186 497 HB3 PHE 65 1HB PHE 65 2.958 -12.635 1.912 498 H GLU 66 HN GLU 66 4.768 -13.737 3.227 499 HA GLU 66 HA GLU 66 7.014 -15.287 2.443 500 HB2 GLU 66 2HB GLU 66 5.634 -14.975 4.745 501 HB3 GLU 66 1HB GLU 66 4.963 -16.502 4.195 502 HG2 GLU 66 2HG GLU 66 7.910 -15.994 4.460 503 HG3 GLU 66 1HG GLU 66 6.907 -16.651 5.749 504 H VAL 67 HN VAL 67 3.512 -16.051 2.462 505 HA VAL 67 HA VAL 67 4.024 -17.803 0.143 506 HB VAL 67 HB VAL 67 2.036 -19.108 0.748 507 HG11 VAL 67 1HG1 VAL 67 4.073 -18.892 2.958 508 HG12 VAL 67 2HG1 VAL 67 4.201 -19.882 1.505 509 HG13 VAL 67 3HG1 VAL 67 2.972 -20.247 2.716 510 HG21 VAL 67 3HG2 VAL 67 0.758 -17.433 1.951 511 HG22 VAL 67 1HG2 VAL 67 1.974 -17.386 3.228 512 HG23 VAL 67 2HG2 VAL 67 1.015 -18.845 2.976 513 H SER 68 HN SER 68 2.191 -18.008 -1.371 514 HA SER 68 HA SER 68 1.478 -15.488 -2.347 515 HG SER 68 HG SER 68 2.204 -17.369 -4.687 516 HB2 SER 68 2HB SER 68 0.184 -18.117 -3.069 517 HB3 SER 68 1HB SER 68 0.322 -16.679 -4.080 518 H ALA 69 HN ALA 69 -0.191 -17.686 -0.270 519 HA ALA 69 HA ALA 69 -2.809 -16.713 -0.521 520 HB1 ALA 69 1HB ALA 69 -1.514 -17.949 1.905 521 HB2 ALA 69 2HB ALA 69 -2.269 -18.832 0.578 522 HB3 ALA 69 3HB ALA 69 -3.247 -17.794 1.616 523 H GLU 70 HN GLU 70 -0.166 -15.747 1.623 524 HA GLU 70 HA GLU 70 -1.648 -13.914 3.173 525 HB2 GLU 70 2HB GLU 70 1.318 -14.088 2.605 526 HB3 GLU 70 1HB GLU 70 0.604 -13.060 3.838 527 HG2 GLU 70 2HG GLU 70 -0.247 -14.989 5.010 528 HG3 GLU 70 1HG GLU 70 0.344 -16.055 3.737 529 H LYS 71 HN LYS 71 0.116 -13.664 0.170 530 HA LYS 71 HA LYS 71 0.135 -10.879 -0.172 531 HB2 LYS 71 2HB LYS 71 1.227 -12.799 -1.556 532 HB3 LYS 71 1HB LYS 71 -0.289 -12.819 -2.431 533 HG2 LYS 71 2HG LYS 71 1.179 -10.246 -2.117 534 HG3 LYS 71 1HG LYS 71 1.721 -11.423 -3.308 535 HD2 LYS 71 2HD LYS 71 -1.079 -10.310 -3.150 536 HD3 LYS 71 1HD LYS 71 0.180 -9.713 -4.233 537 HE2 LYS 71 2HE LYS 71 0.333 -12.095 -5.118 538 HE3 LYS 71 1HE LYS 71 -1.164 -12.406 -4.240 539 HZ1 LYS 71 3HZ LYS 71 -0.751 -10.427 -6.413 540 HZ2 LYS 71 1HZ LYS 71 -2.181 -10.558 -5.504 541 HZ3 LYS 71 2HZ LYS 71 -1.679 -11.843 -6.494 542 H LEU 72 HN LEU 72 -2.116 -13.331 -1.319 543 HA LEU 72 HA LEU 72 -4.000 -11.648 -2.509 544 HG LEU 72 HG LEU 72 -2.801 -14.506 -2.970 545 HB2 LEU 72 2HB LEU 72 -4.466 -14.308 -1.159 546 HB3 LEU 72 1HB LEU 72 -5.572 -13.526 -2.272 547 HD11 LEU 72 1HD1 LEU 72 -5.521 -15.632 -3.625 548 HD12 LEU 72 2HD1 LEU 72 -4.321 -16.351 -2.550 549 HD13 LEU 72 3HD1 LEU 72 -3.986 -16.210 -4.276 550 HD21 LEU 72 3HD2 LEU 72 -3.478 -14.049 -5.281 551 HD22 LEU 72 1HD2 LEU 72 -3.449 -12.580 -4.304 552 HD23 LEU 72 2HD2 LEU 72 -4.987 -13.349 -4.695 553 H ILE 73 HN ILE 73 -3.732 -12.717 0.867 554 HA ILE 73 HA ILE 73 -6.225 -11.776 1.759 555 HB ILE 73 HB ILE 73 -3.638 -12.004 3.307 556 HG12 ILE 73 2HG1 ILE 73 -6.012 -13.878 3.136 557 HG13 ILE 73 1HG1 ILE 73 -4.476 -14.120 2.307 558 HG21 ILE 73 1HG2 ILE 73 -5.172 -10.493 4.434 559 HG22 ILE 73 2HG2 ILE 73 -5.066 -12.018 5.313 560 HG23 ILE 73 3HG2 ILE 73 -6.471 -11.679 4.301 561 HD11 ILE 73 3HD1 ILE 73 -4.881 -14.029 5.289 562 HD12 ILE 73 1HD1 ILE 73 -3.345 -14.284 4.460 563 HD13 ILE 73 2HD1 ILE 73 -4.634 -15.478 4.313 564 H PHE 74 HN PHE 74 -3.051 -10.186 1.701 565 HA PHE 74 HA PHE 74 -3.816 -7.757 2.861 566 HD1 PHE 74 2HD PHE 74 -1.515 -6.364 3.902 567 HD2 PHE 74 1HD PHE 74 -1.540 -6.210 -0.351 568 HE1 PHE 74 2HE PHE 74 -0.806 -4.008 3.985 569 HE2 PHE 74 1HE PHE 74 -0.829 -3.859 -0.276 570 HZ PHE 74 HZ PHE 74 -0.462 -2.755 1.896 571 HB2 PHE 74 2HB PHE 74 -1.474 -8.414 2.505 572 HB3 PHE 74 1HB PHE 74 -1.693 -8.292 0.765 573 H GLU 75 HN GLU 75 -3.878 -8.839 -0.498 574 HA GLU 75 HA GLU 75 -4.776 -6.399 -1.599 575 HB2 GLU 75 2HB GLU 75 -5.049 -9.229 -2.608 576 HB3 GLU 75 1HB GLU 75 -5.422 -7.800 -3.554 577 HG2 GLU 75 2HG GLU 75 -3.063 -7.066 -3.230 578 HG3 GLU 75 1HG GLU 75 -2.744 -8.633 -2.488 579 H LEU 76 HN LEU 76 -6.501 -9.285 -0.438 580 HA LEU 76 HA LEU 76 -9.076 -8.574 -1.186 581 HG LEU 76 HG LEU 76 -7.804 -11.213 -1.195 582 HB2 LEU 76 2HB LEU 76 -7.949 -10.213 1.065 583 HB3 LEU 76 1HB LEU 76 -9.664 -10.014 0.843 584 HD11 LEU 76 1HD1 LEU 76 -8.018 -12.642 0.761 585 HD12 LEU 76 2HD1 LEU 76 -8.883 -13.336 -0.612 586 HD13 LEU 76 3HD1 LEU 76 -9.776 -12.521 0.674 587 HD21 LEU 76 3HD2 LEU 76 -9.856 -11.872 -2.337 588 HD22 LEU 76 1HD2 LEU 76 -9.740 -10.117 -2.187 589 HD23 LEU 76 2HD2 LEU 76 -10.811 -11.025 -1.119 590 H LYS 77 HN LYS 77 -7.189 -7.749 1.674 591 HA LYS 77 HA LYS 77 -9.327 -6.444 3.024 592 HB2 LYS 77 2HB LYS 77 -6.338 -6.267 3.426 593 HB3 LYS 77 1HB LYS 77 -7.536 -5.607 4.529 594 HG2 LYS 77 2HG LYS 77 -8.451 -7.927 4.777 595 HG3 LYS 77 1HG LYS 77 -7.057 -8.497 3.858 596 HD2 LYS 77 2HD LYS 77 -6.619 -8.741 6.219 597 HD3 LYS 77 1HD LYS 77 -5.571 -7.484 5.560 598 HE2 LYS 77 2HE LYS 77 -6.988 -5.764 6.441 599 HE3 LYS 77 1HE LYS 77 -8.185 -6.947 6.957 600 HZ1 LYS 77 3HZ LYS 77 -6.428 -7.873 8.448 601 HZ2 LYS 77 1HZ LYS 77 -6.947 -6.309 8.848 602 HZ3 LYS 77 2HZ LYS 77 -5.463 -6.530 8.067 603 H THR 78 HN THR 78 -6.781 -5.363 0.839 604 HA THR 78 HA THR 78 -7.313 -2.581 1.279 605 HB THR 78 HB THR 78 -5.909 -2.350 -0.885 606 HG1 THR 78 1HG THR 78 -5.026 -4.947 -0.224 607 HG21 THR 78 3HG2 THR 78 -3.836 -2.681 0.379 608 HG22 THR 78 1HG2 THR 78 -4.727 -3.589 1.603 609 HG23 THR 78 2HG2 THR 78 -5.063 -1.875 1.356 610 H ARG 79 HN ARG 79 -8.689 -5.013 -0.763 611 HA ARG 79 HA ARG 79 -9.752 -3.501 -2.831 612 HE ARG 79 HE ARG 79 -8.999 -3.738 -4.219 613 HB2 ARG 79 2HB ARG 79 -10.923 -5.865 -1.361 614 HB3 ARG 79 1HB ARG 79 -11.539 -5.230 -2.864 615 HG2 ARG 79 2HG ARG 79 -8.762 -6.307 -2.527 616 HG3 ARG 79 1HG ARG 79 -10.131 -7.261 -3.090 617 HD2 ARG 79 2HD ARG 79 -8.966 -6.575 -5.024 618 HD3 ARG 79 1HD ARG 79 -10.402 -5.560 -4.934 619 HH11 ARG 79 1HH1 ARG 79 -7.261 -6.584 -5.311 620 HH12 ARG 79 2HH1 ARG 79 -5.826 -5.697 -5.733 621 HH21 ARG 79 1HH2 ARG 79 -7.117 -2.581 -4.765 622 HH22 ARG 79 2HH2 ARG 79 -5.739 -3.418 -5.427 623 H SER 80 HN SER 80 -11.245 -4.345 0.292 624 HA SER 80 HA SER 80 -13.498 -2.665 -0.104 625 HG SER 80 HG SER 80 -14.212 -5.522 1.735 626 HB2 SER 80 2HB SER 80 -12.467 -3.984 2.416 627 HB3 SER 80 1HB SER 80 -14.088 -3.364 2.146 628 H LEU 81 HN LEU 81 -10.314 -2.077 0.936 629 HA LEU 81 HA LEU 81 -10.921 0.076 2.725 630 HG LEU 81 HG LEU 81 -8.059 1.287 1.591 631 HB2 LEU 81 2HB LEU 81 -8.957 -1.041 3.247 632 HB3 LEU 81 1HB LEU 81 -8.459 -1.166 1.570 633 HD11 LEU 81 1HD1 LEU 81 -9.456 1.933 3.458 634 HD12 LEU 81 2HD1 LEU 81 -7.781 2.373 3.800 635 HD13 LEU 81 3HD1 LEU 81 -8.492 0.946 4.556 636 HD21 LEU 81 3HD2 LEU 81 -5.935 1.117 2.831 637 HD22 LEU 81 1HD2 LEU 81 -6.230 -0.279 1.794 638 HD23 LEU 81 2HD2 LEU 81 -6.493 -0.402 3.533 639 H ALA 82 HN ALA 82 -9.828 -0.290 -0.620 640 HA ALA 82 HA ALA 82 -9.597 2.574 -0.970 641 HB1 ALA 82 1HB ALA 82 -9.262 0.349 -2.977 642 HB2 ALA 82 2HB ALA 82 -7.971 1.081 -2.026 643 HB3 ALA 82 3HB ALA 82 -8.835 2.043 -3.225 644 H ARG 83 HN ARG 83 -12.215 0.920 -0.628 645 HA ARG 83 HA ARG 83 -13.714 1.336 -2.993 646 HE ARG 83 HE ARG 83 -14.543 -3.120 -2.512 647 HB2 ARG 83 2HB ARG 83 -14.497 0.815 -0.130 648 HB3 ARG 83 1HB ARG 83 -15.670 0.982 -1.416 649 HG2 ARG 83 2HG ARG 83 -13.490 -1.082 -1.335 650 HG3 ARG 83 1HG ARG 83 -15.170 -1.357 -0.876 651 HD2 ARG 83 2HD ARG 83 -15.883 -0.801 -3.147 652 HD3 ARG 83 1HD ARG 83 -14.203 -0.516 -3.608 653 HH11 ARG 83 1HH1 ARG 83 -15.178 -1.259 -5.422 654 HH12 ARG 83 2HH1 ARG 83 -15.046 -2.640 -6.475 655 HH21 ARG 83 1HH2 ARG 83 -14.367 -4.927 -3.920 656 HH22 ARG 83 2HH2 ARG 83 -14.590 -4.692 -5.629 657 H LEU 84 HN LEU 84 -13.179 3.213 -0.071 658 HA LEU 84 HA LEU 84 -15.216 5.115 -0.646 659 HG LEU 84 HG LEU 84 -14.591 3.474 1.847 660 HB2 LEU 84 2HB LEU 84 -12.924 5.250 1.296 661 HB3 LEU 84 1HB LEU 84 -14.238 6.407 1.226 662 HD11 LEU 84 1HD1 LEU 84 -13.307 4.581 3.593 663 HD12 LEU 84 2HD1 LEU 84 -14.936 4.206 4.155 664 HD13 LEU 84 3HD1 LEU 84 -14.520 5.857 3.693 665 HD21 LEU 84 3HD2 LEU 84 -16.479 5.821 2.047 666 HD22 LEU 84 1HD2 LEU 84 -16.824 4.175 2.578 667 HD23 LEU 84 2HD2 LEU 84 -16.567 4.513 0.866 668 H GLU 85 HN GLU 85 -11.917 4.801 -1.314 669 HA GLU 85 HA GLU 85 -11.332 7.482 -1.944 670 HB2 GLU 85 2HB GLU 85 -9.836 5.312 -1.496 671 HB3 GLU 85 1HB GLU 85 -9.825 5.299 -3.252 672 HG2 GLU 85 2HG GLU 85 -8.994 7.627 -1.548 673 HG3 GLU 85 1HG GLU 85 -7.904 6.442 -2.255 674 H HIS 86 HN HIS 86 -12.064 4.685 -3.879 675 HA HIS 86 HA HIS 86 -12.240 6.229 -6.317 676 HD1 HIS 86 1HD HIS 86 -11.340 3.243 -8.852 677 HD2 HIS 86 2HD HIS 86 -9.688 4.671 -5.308 678 HE1 HIS 86 1HE HIS 86 -8.852 3.277 -9.223 679 HE2 HIS 86 2HE HIS 86 -7.895 4.323 -7.142 680 HB2 HIS 86 2HB HIS 86 -12.564 3.314 -5.666 681 HB3 HIS 86 1HB HIS 86 -13.084 3.942 -7.227 682 H HIS 87 HN HIS 87 -13.906 7.177 -4.421 683 HA HIS 87 HA HIS 87 -16.418 7.152 -5.846 684 HD1 HIS 87 1HD HIS 87 -17.543 3.868 -2.918 685 HD2 HIS 87 2HD HIS 87 -18.276 5.998 -6.417 686 HE1 HIS 87 1HE HIS 87 -18.969 2.364 -4.346 687 HE2 HIS 87 2HE HIS 87 -19.624 3.790 -6.319 688 HB2 HIS 87 2HB HIS 87 -16.135 5.977 -3.128 689 HB3 HIS 87 1HB HIS 87 -17.479 7.086 -3.350 690 H HIS 88 HN HIS 88 -14.760 8.169 -2.903 691 HA HIS 88 HA HIS 88 -14.256 10.162 -2.001 692 HD1 HIS 88 1HD HIS 88 -11.628 10.734 -4.008 693 HD2 HIS 88 2HD HIS 88 -13.935 13.763 -2.332 694 HE1 HIS 88 1HE HIS 88 -9.993 12.336 -2.962 695 HE2 HIS 88 2HE HIS 88 -11.408 14.186 -1.992 696 HB2 HIS 88 2HB HIS 88 -14.110 10.669 -4.720 697 HB3 HIS 88 1HB HIS 88 -15.162 11.948 -4.118 698 H HIS 89 HN HIS 89 -17.060 11.127 -3.999 699 HA HIS 89 HA HIS 89 -18.419 12.236 -1.732 700 HD1 HIS 89 1HD HIS 89 -17.952 13.091 -5.913 701 HD2 HIS 89 2HD HIS 89 -19.413 14.968 -2.497 702 HE1 HIS 89 1HE HIS 89 -17.337 15.519 -6.155 703 HE2 HIS 89 2HE HIS 89 -18.060 16.593 -3.996 704 HB2 HIS 89 2HB HIS 89 -19.359 11.578 -4.531 705 HB3 HIS 89 1HB HIS 89 -20.389 12.330 -3.320 706 H HIS 90 HN HIS 90 -19.523 11.138 -0.236 707 HA HIS 90 HA HIS 90 -20.660 8.533 -0.859 708 HD1 HIS 90 1HD HIS 90 -16.917 10.195 0.498 709 HD2 HIS 90 2HD HIS 90 -19.066 8.196 3.445 710 HE1 HIS 90 1HE HIS 90 -16.013 11.035 2.690 711 HE2 HIS 90 2HE HIS 90 -17.489 9.982 4.443 712 HB2 HIS 90 2HB HIS 90 -19.386 7.348 0.850 713 HB3 HIS 90 1HB HIS 90 -18.283 8.058 -0.324 714 H HIS 91 HN HIS 91 -21.768 7.589 1.075 715 HA HIS 91 HA HIS 91 -23.287 9.605 2.432 716 HD1 HIS 91 1HD HIS 91 -23.405 5.480 0.821 717 HD2 HIS 91 2HD HIS 91 -22.590 5.872 4.884 718 HE1 HIS 91 1HE HIS 91 -22.361 3.299 1.523 719 HE2 HIS 91 2HE HIS 91 -21.782 3.592 3.959 720 HB2 HIS 91 2HB HIS 91 -24.406 7.695 3.568 721 HB3 HIS 91 1HB HIS 91 -24.412 7.555 1.816 Start of MODEL 10 1 HA ALA 1 HA ALA 1 10.966 2.808 -17.222 2 H1 ALA 1 1HT ALA 1 10.251 4.239 -19.021 3 H2 ALA 1 2HT ALA 1 11.491 4.966 -18.120 4 H3 ALA 1 3HT ALA 1 9.886 5.478 -17.920 5 HB1 ALA 1 2HB ALA 1 11.705 4.584 -15.705 6 HB2 ALA 1 3HB ALA 1 10.583 3.479 -14.911 7 HB3 ALA 1 1HB ALA 1 10.027 5.064 -15.450 8 H GLY 2 HN GLY 2 9.465 1.335 -16.415 9 HA2 GLY 2 2HA GLY 2 6.628 2.124 -16.636 10 HA3 GLY 2 1HA GLY 2 7.212 0.605 -17.308 11 H GLU 3 HN GLU 3 8.152 -0.958 -15.806 12 HA GLU 3 HA GLU 3 6.890 -0.903 -13.193 13 HB2 GLU 3 2HB GLU 3 8.158 -2.957 -14.942 14 HB3 GLU 3 1HB GLU 3 8.158 -3.228 -13.221 15 HG2 GLU 3 2HG GLU 3 6.277 -4.349 -14.113 16 HG3 GLU 3 1HG GLU 3 5.677 -2.935 -13.250 17 H ILE 4 HN ILE 4 8.079 -0.868 -11.278 18 HA ILE 4 HA ILE 4 10.736 0.282 -11.586 19 HB ILE 4 HB ILE 4 9.366 -0.148 -8.950 20 HG12 ILE 4 2HG1 ILE 4 8.939 2.164 -10.863 21 HG13 ILE 4 1HG1 ILE 4 7.734 0.953 -10.436 22 HG21 ILE 4 1HG2 ILE 4 11.688 0.569 -8.907 23 HG22 ILE 4 2HG2 ILE 4 10.632 1.852 -8.317 24 HG23 ILE 4 3HG2 ILE 4 11.298 1.938 -9.947 25 HD11 ILE 4 3HD1 ILE 4 7.759 1.741 -8.127 26 HD12 ILE 4 1HD1 ILE 4 7.359 3.041 -9.249 27 HD13 ILE 4 2HD1 ILE 4 8.975 2.945 -8.550 28 H GLY 5 HN GLY 5 12.523 -0.453 -10.298 29 HA2 GLY 5 2HA GLY 5 12.451 -3.379 -9.919 30 HA3 GLY 5 1HA GLY 5 13.784 -2.560 -10.712 31 H PHE 6 HN PHE 6 12.017 -2.726 -7.694 32 HA PHE 6 HA PHE 6 14.020 -1.442 -6.132 33 HD1 PHE 6 2HD PHE 6 12.731 0.152 -4.235 34 HD2 PHE 6 1HD PHE 6 9.930 -2.183 -6.432 35 HE1 PHE 6 2HE PHE 6 11.271 2.119 -4.451 36 HE2 PHE 6 1HE PHE 6 8.464 -0.218 -6.652 37 HZ PHE 6 HZ PHE 6 9.134 1.934 -5.661 38 HB2 PHE 6 2HB PHE 6 11.717 -3.228 -5.318 39 HB3 PHE 6 1HB PHE 6 12.735 -2.343 -4.188 40 H ILE 7 HN ILE 7 14.605 -2.868 -4.003 41 HA ILE 7 HA ILE 7 16.697 -4.547 -4.729 42 HB ILE 7 HB ILE 7 15.188 -4.632 -2.108 43 HG12 ILE 7 2HG1 ILE 7 17.540 -2.888 -2.882 44 HG13 ILE 7 1HG1 ILE 7 15.875 -2.327 -2.762 45 HG21 ILE 7 1HG2 ILE 7 17.351 -5.343 -1.181 46 HG22 ILE 7 2HG2 ILE 7 18.032 -5.355 -2.807 47 HG23 ILE 7 3HG2 ILE 7 16.739 -6.478 -2.385 48 HD11 ILE 7 3HD1 ILE 7 15.862 -2.861 -0.388 49 HD12 ILE 7 1HD1 ILE 7 17.163 -1.740 -0.789 50 HD13 ILE 7 2HD1 ILE 7 17.523 -3.443 -0.506 51 H ILE 8 HN ILE 8 13.546 -5.453 -3.349 52 HA ILE 8 HA ILE 8 13.869 -8.215 -4.101 53 HB ILE 8 HB ILE 8 11.468 -6.719 -3.025 54 HG12 ILE 8 2HG1 ILE 8 13.357 -8.653 -1.667 55 HG13 ILE 8 1HG1 ILE 8 13.438 -6.902 -1.504 56 HG21 ILE 8 1HG2 ILE 8 10.742 -8.658 -4.296 57 HG22 ILE 8 2HG2 ILE 8 10.519 -8.946 -2.570 58 HG23 ILE 8 3HG2 ILE 8 11.878 -9.683 -3.419 59 HD11 ILE 8 3HD1 ILE 8 11.135 -8.644 -0.659 60 HD12 ILE 8 1HD1 ILE 8 11.230 -6.892 -0.482 61 HD13 ILE 8 2HD1 ILE 8 12.344 -7.928 0.409 62 H LYS 9 HN LYS 9 13.105 -9.208 -5.862 63 HA LYS 9 HA LYS 9 12.224 -7.572 -8.071 64 HB2 LYS 9 2HB LYS 9 12.694 -10.551 -7.858 65 HB3 LYS 9 1HB LYS 9 12.396 -9.673 -9.347 66 HG2 LYS 9 2HG LYS 9 14.468 -8.509 -9.172 67 HG3 LYS 9 1HG LYS 9 14.737 -9.130 -7.542 68 HD2 LYS 9 2HD LYS 9 14.562 -10.823 -10.034 69 HD3 LYS 9 1HD LYS 9 16.066 -10.318 -9.258 70 HE2 LYS 9 2HE LYS 9 15.479 -11.523 -7.249 71 HE3 LYS 9 1HE LYS 9 13.902 -11.937 -7.919 72 HZ1 LYS 9 3HZ LYS 9 14.964 -13.269 -9.593 73 HZ2 LYS 9 1HZ LYS 9 15.511 -13.764 -8.065 74 HZ3 LYS 9 2HZ LYS 9 16.507 -12.810 -9.054 75 H GLU 10 HN GLU 10 10.437 -8.504 -9.499 76 HA GLU 10 HA GLU 10 7.987 -8.764 -8.129 77 HB2 GLU 10 2HB GLU 10 8.899 -8.427 -10.764 78 HB3 GLU 10 1HB GLU 10 7.919 -9.877 -10.781 79 HG2 GLU 10 2HG GLU 10 6.846 -7.472 -9.424 80 HG3 GLU 10 1HG GLU 10 6.905 -7.499 -11.184 81 H GLY 11 HN GLY 11 6.500 -10.683 -8.593 82 HA2 GLY 11 2HA GLY 11 7.277 -13.248 -9.112 83 HA3 GLY 11 1HA GLY 11 7.772 -12.996 -7.444 84 H ASP 12 HN ASP 12 6.053 -14.945 -7.846 85 HA ASP 12 HA ASP 12 3.313 -14.314 -7.954 86 HB2 ASP 12 2HB ASP 12 4.631 -16.688 -6.626 87 HB3 ASP 12 1HB ASP 12 2.938 -16.579 -7.081 88 H GLU 13 HN GLU 13 5.581 -14.495 -5.349 89 HA GLU 13 HA GLU 13 3.494 -14.121 -3.342 90 HB2 GLU 13 2HB GLU 13 5.367 -14.530 -1.728 91 HB3 GLU 13 1HB GLU 13 5.061 -15.866 -2.828 92 HG2 GLU 13 2HG GLU 13 6.936 -14.878 -4.260 93 HG3 GLU 13 1HG GLU 13 7.334 -13.914 -2.841 94 H VAL 14 HN VAL 14 4.747 -12.073 -5.310 95 HA VAL 14 HA VAL 14 5.542 -10.077 -3.287 96 HB VAL 14 HB VAL 14 6.449 -10.237 -6.169 97 HG11 VAL 14 1HG1 VAL 14 6.313 -7.947 -5.376 98 HG12 VAL 14 2HG1 VAL 14 7.997 -8.438 -5.552 99 HG13 VAL 14 3HG1 VAL 14 7.262 -8.364 -3.950 100 HG21 VAL 14 3HG2 VAL 14 8.656 -10.780 -5.252 101 HG22 VAL 14 1HG2 VAL 14 7.455 -12.003 -4.836 102 HG23 VAL 14 2HG2 VAL 14 7.965 -10.823 -3.629 103 H ALA 15 HN ALA 15 4.404 -8.227 -3.230 104 HA ALA 15 HA ALA 15 2.931 -7.359 -5.606 105 HB1 ALA 15 1HB ALA 15 0.892 -6.914 -4.333 106 HB2 ALA 15 2HB ALA 15 1.629 -7.609 -2.890 107 HB3 ALA 15 3HB ALA 15 1.295 -8.631 -4.287 108 H ASP 16 HN ASP 16 3.753 -5.383 -5.978 109 HA ASP 16 HA ASP 16 4.387 -3.710 -3.670 110 HB2 ASP 16 2HB ASP 16 5.518 -2.204 -5.278 111 HB3 ASP 16 1HB ASP 16 6.200 -3.816 -5.236 112 H VAL 17 HN VAL 17 3.360 -1.934 -3.167 113 HA VAL 17 HA VAL 17 1.070 -1.152 -4.862 114 HB VAL 17 HB VAL 17 1.193 -0.833 -1.866 115 HG11 VAL 17 1HG1 VAL 17 -0.322 0.682 -3.030 116 HG12 VAL 17 2HG1 VAL 17 -1.209 -0.477 -2.039 117 HG13 VAL 17 3HG1 VAL 17 -1.123 -0.696 -3.788 118 HG21 VAL 17 3HG2 VAL 17 -0.195 -3.028 -3.401 119 HG22 VAL 17 1HG2 VAL 17 -0.269 -2.768 -1.657 120 HG23 VAL 17 2HG2 VAL 17 1.256 -3.224 -2.417 121 H THR 18 HN THR 18 0.862 0.937 -5.325 122 HA THR 18 HA THR 18 2.991 2.710 -4.418 123 HB THR 18 HB THR 18 1.180 2.962 -6.828 124 HG1 THR 18 1HG THR 18 2.685 1.268 -7.077 125 HG21 THR 18 3HG2 THR 18 2.735 4.741 -7.526 126 HG22 THR 18 1HG2 THR 18 3.608 4.568 -6.002 127 HG23 THR 18 2HG2 THR 18 1.940 5.139 -6.002 128 H ILE 19 HN ILE 19 2.554 4.326 -3.145 129 HA ILE 19 HA ILE 19 -0.239 4.923 -2.482 130 HB ILE 19 HB ILE 19 2.275 5.741 -1.030 131 HG12 ILE 19 2HG1 ILE 19 0.330 3.516 -0.382 132 HG13 ILE 19 1HG1 ILE 19 1.948 3.288 -1.032 133 HG21 ILE 19 1HG2 ILE 19 0.778 6.264 0.840 134 HG22 ILE 19 2HG2 ILE 19 -0.609 5.896 -0.184 135 HG23 ILE 19 3HG2 ILE 19 0.446 7.253 -0.581 136 HD11 ILE 19 3HD1 ILE 19 2.896 4.264 0.997 137 HD12 ILE 19 1HD1 ILE 19 1.896 2.855 1.351 138 HD13 ILE 19 2HD1 ILE 19 1.270 4.477 1.648 139 H PHE 20 HN PHE 20 -1.059 6.970 -2.602 140 HA PHE 20 HA PHE 20 0.614 9.040 -3.828 141 HD1 PHE 20 2HD PHE 20 0.528 9.328 -6.785 142 HD2 PHE 20 1HD PHE 20 -1.974 6.181 -5.390 143 HE1 PHE 20 2HE PHE 20 1.294 7.906 -8.637 144 HE2 PHE 20 1HE PHE 20 -1.212 4.750 -7.242 145 HZ PHE 20 HZ PHE 20 0.426 5.613 -8.868 146 HB2 PHE 20 2HB PHE 20 -2.243 8.420 -4.577 147 HB3 PHE 20 1HB PHE 20 -1.287 9.740 -5.208 148 H ALA 21 HN ALA 21 0.417 10.972 -2.936 149 HA ALA 21 HA ALA 21 -1.958 11.871 -1.622 150 HB1 ALA 21 1HB ALA 21 0.469 11.533 0.122 151 HB2 ALA 21 2HB ALA 21 -0.918 10.447 0.139 152 HB3 ALA 21 3HB ALA 21 -1.115 12.138 0.596 153 H GLU 22 HN GLU 22 -1.111 14.003 -0.258 154 HA GLU 22 HA GLU 22 -0.130 15.629 -2.435 155 HB2 GLU 22 2HB GLU 22 -1.145 16.390 0.303 156 HB3 GLU 22 1HB GLU 22 -0.774 17.520 -0.996 157 HG2 GLU 22 2HG GLU 22 -2.879 15.368 -1.077 158 HG3 GLU 22 1HG GLU 22 -3.167 17.090 -0.838 159 H THR 23 HN THR 23 0.991 14.528 0.693 160 HA THR 23 HA THR 23 3.512 15.980 0.255 161 HB THR 23 HB THR 23 3.598 16.459 2.709 162 HG1 THR 23 1HG THR 23 1.382 16.437 3.699 163 HG21 THR 23 3HG2 THR 23 2.056 18.369 2.652 164 HG22 THR 23 1HG2 THR 23 1.269 17.687 1.229 165 HG23 THR 23 2HG2 THR 23 2.948 18.216 1.139 166 H LYS 24 HN LYS 24 5.321 15.139 1.470 167 HA LYS 24 HA LYS 24 5.680 12.395 1.595 168 HB2 LYS 24 2HB LYS 24 7.547 13.937 1.674 169 HB3 LYS 24 1HB LYS 24 6.988 14.595 3.202 170 HG2 LYS 24 2HG LYS 24 7.331 12.308 4.189 171 HG3 LYS 24 1HG LYS 24 8.140 11.869 2.683 172 HD2 LYS 24 2HD LYS 24 9.813 13.550 3.018 173 HD3 LYS 24 1HD LYS 24 8.946 14.204 4.410 174 HE2 LYS 24 2HE LYS 24 9.277 12.051 5.578 175 HE3 LYS 24 1HE LYS 24 10.222 11.481 4.202 176 HZ1 LYS 24 3HZ LYS 24 10.891 13.798 5.943 177 HZ2 LYS 24 1HZ LYS 24 11.792 13.296 4.593 178 HZ3 LYS 24 2HZ LYS 24 11.656 12.289 5.947 179 H ASP 25 HN ASP 25 4.732 14.653 4.103 180 HA ASP 25 HA ASP 25 4.558 13.006 6.318 181 HB2 ASP 25 2HB ASP 25 4.293 15.389 6.505 182 HB3 ASP 25 1HB ASP 25 2.885 15.373 5.456 183 H ALA 26 HN ALA 26 2.011 13.715 3.928 184 HA ALA 26 HA ALA 26 0.082 11.980 5.017 185 HB1 ALA 26 1HB ALA 26 -0.445 13.765 3.414 186 HB2 ALA 26 2HB ALA 26 -1.075 12.203 2.893 187 HB3 ALA 26 3HB ALA 26 0.382 12.861 2.146 188 H LEU 27 HN LEU 27 2.543 11.503 2.515 189 HA LEU 27 HA LEU 27 1.992 8.878 1.773 190 HG LEU 27 HG LEU 27 3.473 8.633 -0.306 191 HB2 LEU 27 2HB LEU 27 4.357 10.640 1.767 192 HB3 LEU 27 1HB LEU 27 4.719 8.927 1.758 193 HD11 LEU 27 1HD1 LEU 27 2.623 10.610 -1.521 194 HD12 LEU 27 2HD1 LEU 27 2.889 11.574 -0.065 195 HD13 LEU 27 3HD1 LEU 27 1.731 10.242 -0.047 196 HD21 LEU 27 3HD2 LEU 27 4.899 9.976 -1.794 197 HD22 LEU 27 1HD2 LEU 27 5.811 9.217 -0.486 198 HD23 LEU 27 2HD2 LEU 27 5.415 10.934 -0.405 199 H GLU 28 HN GLU 28 4.132 10.049 4.364 200 HA GLU 28 HA GLU 28 4.914 7.559 5.344 201 HB2 GLU 28 2HB GLU 28 4.733 10.293 6.576 202 HB3 GLU 28 1HB GLU 28 5.312 8.921 7.491 203 HG2 GLU 28 2HG GLU 28 6.990 8.576 5.610 204 HG3 GLU 28 1HG GLU 28 6.525 10.187 5.068 205 H SER 29 HN SER 29 2.126 9.566 6.118 206 HA SER 29 HA SER 29 1.222 8.108 8.351 207 HG SER 29 HG SER 29 1.358 10.897 7.314 208 HB2 SER 29 2HB SER 29 -0.408 9.718 6.369 209 HB3 SER 29 1HB SER 29 -0.885 9.285 8.008 210 H GLU 30 HN GLU 30 0.373 7.908 4.906 211 HA GLU 30 HA GLU 30 -1.457 5.786 5.211 212 HB2 GLU 30 2HB GLU 30 0.029 6.969 2.883 213 HB3 GLU 30 1HB GLU 30 -1.096 5.645 2.709 214 HG2 GLU 30 2HG GLU 30 -2.851 7.056 3.736 215 HG3 GLU 30 1HG GLU 30 -1.696 8.388 3.743 216 H LEU 31 HN LEU 31 1.974 5.982 4.487 217 HA LEU 31 HA LEU 31 2.453 3.331 3.754 218 HG LEU 31 HG LEU 31 5.141 2.782 4.946 219 HB2 LEU 31 2HB LEU 31 4.048 5.278 3.645 220 HB3 LEU 31 1HB LEU 31 4.300 5.086 5.361 221 HD11 LEU 31 1HD1 LEU 31 5.758 2.157 2.664 222 HD12 LEU 31 2HD1 LEU 31 4.956 3.604 2.052 223 HD13 LEU 31 3HD1 LEU 31 4.013 2.340 2.843 224 HD21 LEU 31 3HD2 LEU 31 6.568 5.016 3.509 225 HD22 LEU 31 1HD2 LEU 31 7.301 3.490 4.005 226 HD23 LEU 31 2HD2 LEU 31 6.699 4.616 5.222 227 H ALA 32 HN ALA 32 2.543 4.900 6.910 228 HA ALA 32 HA ALA 32 3.243 2.742 8.503 229 HB1 ALA 32 1HB ALA 32 1.332 4.967 9.211 230 HB2 ALA 32 2HB ALA 32 3.091 5.048 9.317 231 HB3 ALA 32 3HB ALA 32 2.197 3.933 10.349 232 H LYS 33 HN LYS 33 0.020 3.666 7.312 233 HA LYS 33 HA LYS 33 -1.421 1.691 8.711 234 HB2 LYS 33 2HB LYS 33 -1.973 3.284 6.231 235 HB3 LYS 33 1HB LYS 33 -3.078 2.033 6.758 236 HG2 LYS 33 2HG LYS 33 -3.171 3.248 8.984 237 HG3 LYS 33 1HG LYS 33 -2.351 4.579 8.159 238 HD2 LYS 33 2HD LYS 33 -4.147 4.712 6.529 239 HD3 LYS 33 1HD LYS 33 -4.954 3.332 7.274 240 HE2 LYS 33 2HE LYS 33 -6.039 5.345 7.997 241 HE3 LYS 33 1HE LYS 33 -5.166 4.652 9.362 242 HZ1 LYS 33 3HZ LYS 33 -4.025 6.794 7.663 243 HZ2 LYS 33 1HZ LYS 33 -3.490 6.275 9.188 244 HZ3 LYS 33 2HZ LYS 33 -4.952 7.123 9.041 245 H TYR 34 HN TYR 34 -0.020 1.746 5.469 246 HA TYR 34 HA TYR 34 -0.942 -0.799 4.685 247 HD1 TYR 34 1HD TYR 34 -0.900 2.488 3.279 248 HD2 TYR 34 2HD TYR 34 -0.390 -1.347 1.509 249 HE1 TYR 34 1HE TYR 34 -2.646 3.021 1.632 250 HE2 TYR 34 2HE TYR 34 -2.133 -0.823 -0.141 251 HH TYR 34 HH TYR 34 -4.055 0.663 -0.370 252 HB2 TYR 34 2HB TYR 34 1.143 1.082 3.689 253 HB3 TYR 34 1HB TYR 34 1.173 -0.580 3.107 254 H ILE 35 HN ILE 35 2.127 0.244 6.140 255 HA ILE 35 HA ILE 35 3.351 -2.291 6.149 256 HB ILE 35 HB ILE 35 3.751 0.030 8.048 257 HG12 ILE 35 2HG1 ILE 35 5.298 -0.829 5.590 258 HG13 ILE 35 1HG1 ILE 35 4.196 0.541 5.672 259 HG21 ILE 35 1HG2 ILE 35 4.555 -2.065 9.018 260 HG22 ILE 35 2HG2 ILE 35 5.895 -0.998 8.598 261 HG23 ILE 35 3HG2 ILE 35 5.508 -2.374 7.566 262 HD11 ILE 35 3HD1 ILE 35 5.654 1.623 7.293 263 HD12 ILE 35 1HD1 ILE 35 6.518 1.246 5.802 264 HD13 ILE 35 2HD1 ILE 35 6.750 0.243 7.235 265 H GLU 36 HN GLU 36 1.278 -0.660 8.514 266 HA GLU 36 HA GLU 36 1.356 -2.627 10.507 267 HB2 GLU 36 2HB GLU 36 0.097 -0.168 10.087 268 HB3 GLU 36 1HB GLU 36 -1.220 -1.315 10.281 269 HG2 GLU 36 2HG GLU 36 1.046 -0.931 12.215 270 HG3 GLU 36 1HG GLU 36 -0.568 -0.246 12.376 271 H LEU 37 HN LEU 37 -0.884 -2.125 7.808 272 HA LEU 37 HA LEU 37 -2.582 -4.273 8.233 273 HG LEU 37 HG LEU 37 -4.247 -2.976 5.301 274 HB2 LEU 37 2HB LEU 37 -2.463 -2.227 6.544 275 HB3 LEU 37 1HB LEU 37 -1.793 -3.448 5.485 276 HD11 LEU 37 1HD1 LEU 37 -3.241 -4.944 4.311 277 HD12 LEU 37 2HD1 LEU 37 -4.831 -5.335 4.966 278 HD13 LEU 37 3HD1 LEU 37 -3.375 -5.805 5.845 279 HD21 LEU 37 3HD2 LEU 37 -5.741 -4.066 6.878 280 HD22 LEU 37 1HD2 LEU 37 -4.755 -2.848 7.685 281 HD23 LEU 37 2HD2 LEU 37 -4.362 -4.558 7.860 282 H ALA 38 HN ALA 38 0.557 -4.085 6.663 283 HA ALA 38 HA ALA 38 0.453 -6.670 5.461 284 HB1 ALA 38 1HB ALA 38 1.898 -4.921 4.576 285 HB2 ALA 38 2HB ALA 38 2.841 -6.342 5.029 286 HB3 ALA 38 3HB ALA 38 2.834 -4.919 6.071 287 H LYS 39 HN LYS 39 1.974 -5.372 8.391 288 HA LYS 39 HA LYS 39 3.141 -7.815 9.207 289 HB2 LYS 39 2HB LYS 39 2.432 -5.318 10.747 290 HB3 LYS 39 1HB LYS 39 3.335 -6.662 11.427 291 HG2 LYS 39 2HG LYS 39 5.106 -6.335 9.802 292 HG3 LYS 39 1HG LYS 39 4.191 -5.026 9.049 293 HD2 LYS 39 2HD LYS 39 4.348 -3.701 11.055 294 HD3 LYS 39 1HD LYS 39 5.120 -5.032 11.917 295 HE2 LYS 39 2HE LYS 39 7.022 -4.915 10.382 296 HE3 LYS 39 1HE LYS 39 6.252 -3.579 9.530 297 HZ1 LYS 39 3HZ LYS 39 6.883 -3.462 12.419 298 HZ2 LYS 39 1HZ LYS 39 6.509 -2.174 11.380 299 HZ3 LYS 39 2HZ LYS 39 7.995 -2.981 11.234 300 H SER 40 HN SER 40 -0.031 -6.464 9.555 301 HA SER 40 HA SER 40 -0.930 -8.148 11.660 302 HG SER 40 HG SER 40 -3.394 -8.465 11.201 303 HB2 SER 40 2HB SER 40 -2.065 -6.040 11.055 304 HB3 SER 40 1HB SER 40 -2.528 -6.739 9.504 305 H VAL 41 HN VAL 41 -0.508 -8.565 8.251 306 HA VAL 41 HA VAL 41 -2.090 -11.020 8.226 307 HB VAL 41 HB VAL 41 -0.559 -9.708 5.970 308 HG11 VAL 41 1HG1 VAL 41 -2.604 -11.926 5.904 309 HG12 VAL 41 2HG1 VAL 41 -0.872 -12.106 5.627 310 HG13 VAL 41 3HG1 VAL 41 -1.853 -11.168 4.501 311 HG21 VAL 41 3HG2 VAL 41 -3.505 -9.635 6.601 312 HG22 VAL 41 1HG2 VAL 41 -2.745 -8.973 5.153 313 HG23 VAL 41 2HG2 VAL 41 -2.375 -8.287 6.735 314 H CYS 42 HN CYS 42 1.239 -9.902 7.940 315 HA CYS 42 HA CYS 42 2.182 -12.603 8.465 316 HG CYS 42 HG CYS 42 2.335 -9.417 6.271 317 HB2 CYS 42 2HB CYS 42 3.902 -12.217 6.603 318 HB3 CYS 42 1HB CYS 42 2.268 -12.653 6.115 319 H ALA 43 HN ALA 43 3.761 -12.562 9.927 320 HA ALA 43 HA ALA 43 5.021 -10.032 10.620 321 HB1 ALA 43 1HB ALA 43 5.369 -12.766 11.852 322 HB2 ALA 43 2HB ALA 43 4.236 -11.530 12.399 323 HB3 ALA 43 3HB ALA 43 5.973 -11.243 12.506 324 H GLY 44 HN GLY 44 5.651 -12.696 8.626 325 HA2 GLY 44 2HA GLY 44 8.553 -12.210 8.669 326 HA3 GLY 44 1HA GLY 44 7.772 -13.641 8.011 327 H VAL 45 HN VAL 45 6.763 -10.329 7.436 328 HA VAL 45 HA VAL 45 6.939 -10.790 4.586 329 HB VAL 45 HB VAL 45 4.938 -9.704 5.452 330 HG11 VAL 45 1HG1 VAL 45 5.876 -8.595 7.394 331 HG12 VAL 45 2HG1 VAL 45 5.007 -7.440 6.384 332 HG13 VAL 45 3HG1 VAL 45 6.770 -7.486 6.353 333 HG21 VAL 45 3HG2 VAL 45 4.872 -7.748 3.962 334 HG22 VAL 45 1HG2 VAL 45 5.605 -9.151 3.187 335 HG23 VAL 45 2HG2 VAL 45 6.624 -7.840 3.782 336 H GLU 46 HN GLU 46 8.401 -9.969 3.231 337 HA GLU 46 HA GLU 46 10.453 -8.150 4.303 338 HB2 GLU 46 2HB GLU 46 10.462 -9.843 1.795 339 HB3 GLU 46 1HB GLU 46 11.791 -8.837 2.352 340 HG2 GLU 46 2HG GLU 46 12.170 -10.225 4.229 341 HG3 GLU 46 1HG GLU 46 10.669 -11.112 3.958 342 H TYR 47 HN TYR 47 10.414 -6.060 3.613 343 HA TYR 47 HA TYR 47 8.959 -5.473 1.149 344 HD1 TYR 47 2HD TYR 47 7.629 -6.089 4.925 345 HD2 TYR 47 1HD TYR 47 9.062 -2.196 3.992 346 HE1 TYR 47 2HE TYR 47 7.972 -5.652 7.319 347 HE2 TYR 47 1HE TYR 47 9.408 -1.744 6.383 348 HH TYR 47 HH TYR 47 9.359 -4.176 8.749 349 HB2 TYR 47 2HB TYR 47 7.869 -3.509 2.341 350 HB3 TYR 47 1HB TYR 47 7.250 -5.107 2.726 351 H ASN 48 HN ASN 48 9.555 -3.678 0.058 352 HA ASN 48 HA ASN 48 11.791 -2.112 1.176 353 HB2 ASN 48 2HB ASN 48 11.325 -2.574 -1.768 354 HB3 ASN 48 1HB ASN 48 12.692 -1.774 -1.024 355 HD21 ASN 48 1HD2 ASN 48 12.951 -3.779 1.091 356 HD22 ASN 48 2HD2 ASN 48 13.647 -5.175 0.336 357 H VAL 49 HN VAL 49 11.870 0.073 0.436 358 HA VAL 49 HA VAL 49 9.402 1.238 -0.563 359 HB VAL 49 HB VAL 49 10.532 2.063 2.132 360 HG11 VAL 49 1HG1 VAL 49 8.556 3.502 2.278 361 HG12 VAL 49 2HG1 VAL 49 8.089 3.013 0.649 362 HG13 VAL 49 3HG1 VAL 49 9.578 3.923 0.905 363 HG21 VAL 49 3HG2 VAL 49 8.443 1.222 3.108 364 HG22 VAL 49 1HG2 VAL 49 9.374 -0.069 2.346 365 HG23 VAL 49 2HG2 VAL 49 7.961 0.601 1.529 366 H SER 50 HN SER 50 9.812 3.173 -1.630 367 HA SER 50 HA SER 50 12.478 3.952 -2.159 368 HG SER 50 HG SER 50 10.585 4.290 -4.673 369 HB2 SER 50 2HB SER 50 10.097 5.769 -2.473 370 HB3 SER 50 1HB SER 50 11.551 5.693 -3.461 371 H GLU 51 HN GLU 51 13.322 6.178 -1.673 372 HA GLU 51 HA GLU 51 12.883 6.754 1.143 373 HB2 GLU 51 2HB GLU 51 14.754 8.462 0.748 374 HB3 GLU 51 1HB GLU 51 15.172 6.758 0.692 375 HG2 GLU 51 2HG GLU 51 14.538 8.272 -1.809 376 HG3 GLU 51 1HG GLU 51 16.139 8.340 -1.077 377 H LEU 52 HN LEU 52 11.941 8.534 1.926 378 HA LEU 52 HA LEU 52 10.291 9.951 -0.012 379 HG LEU 52 HG LEU 52 8.507 8.441 0.743 380 HB2 LEU 52 2HB LEU 52 10.080 9.671 2.981 381 HB3 LEU 52 1HB LEU 52 9.001 10.650 2.016 382 HD11 LEU 52 1HD1 LEU 52 8.712 6.432 2.110 383 HD12 LEU 52 2HD1 LEU 52 9.586 7.351 3.335 384 HD13 LEU 52 3HD1 LEU 52 10.293 7.119 1.737 385 HD21 LEU 52 3HD2 LEU 52 6.748 7.894 2.359 386 HD22 LEU 52 1HD2 LEU 52 6.884 9.634 2.100 387 HD23 LEU 52 2HD2 LEU 52 7.547 8.904 3.563 388 H THR 53 HN THR 53 10.502 12.033 -0.439 389 HA THR 53 HA THR 53 12.002 13.711 1.458 390 HB THR 53 HB THR 53 12.531 15.143 -0.609 391 HG1 THR 53 1HG THR 53 12.722 13.558 -2.507 392 HG21 THR 53 3HG2 THR 53 14.525 13.836 -1.152 393 HG22 THR 53 1HG2 THR 53 13.816 12.421 -0.373 394 HG23 THR 53 2HG2 THR 53 14.226 13.841 0.587 395 H GLU 54 HN GLU 54 11.433 16.104 0.989 396 HA GLU 54 HA GLU 54 8.793 16.588 1.614 397 HB2 GLU 54 2HB GLU 54 9.318 18.928 1.064 398 HB3 GLU 54 1HB GLU 54 10.579 18.160 2.005 399 HG2 GLU 54 2HG GLU 54 11.902 17.831 -0.024 400 HG3 GLU 54 1HG GLU 54 10.640 18.630 -0.963 401 H GLU 55 HN GLU 55 10.289 16.259 -1.502 402 HA GLU 55 HA GLU 55 8.039 17.418 -2.913 403 HB2 GLU 55 2HB GLU 55 9.374 17.089 -4.917 404 HB3 GLU 55 1HB GLU 55 10.334 17.862 -3.661 405 HG2 GLU 55 2HG GLU 55 11.419 15.768 -3.148 406 HG3 GLU 55 1HG GLU 55 10.400 14.924 -4.312 407 H SER 56 HN SER 56 8.618 14.390 -1.648 408 HA SER 56 HA SER 56 7.739 12.810 -3.865 409 HG SER 56 HG SER 56 9.869 12.064 -2.851 410 HB2 SER 56 2HB SER 56 7.751 11.996 -0.960 411 HB3 SER 56 1HB SER 56 7.826 10.954 -2.372 412 H LYS 57 HN LYS 57 5.737 12.814 -4.582 413 HA LYS 57 HA LYS 57 3.541 13.146 -2.653 414 HB2 LYS 57 2HB LYS 57 2.165 13.725 -4.672 415 HB3 LYS 57 1HB LYS 57 3.443 14.871 -4.296 416 HG2 LYS 57 2HG LYS 57 4.841 13.873 -6.040 417 HG3 LYS 57 1HG LYS 57 3.538 12.750 -6.428 418 HD2 LYS 57 2HD LYS 57 2.085 14.611 -7.013 419 HD3 LYS 57 1HD LYS 57 3.359 15.755 -6.590 420 HE2 LYS 57 2HE LYS 57 3.256 15.435 -9.000 421 HE3 LYS 57 1HE LYS 57 4.778 14.830 -8.351 422 HZ1 LYS 57 3HZ LYS 57 2.423 13.131 -8.979 423 HZ2 LYS 57 1HZ LYS 57 3.954 12.591 -8.480 424 HZ3 LYS 57 2HZ LYS 57 3.761 13.334 -9.996 425 H GLU 58 HN GLU 58 5.255 10.851 -4.083 426 HA GLU 58 HA GLU 58 3.174 8.882 -3.816 427 HB2 GLU 58 2HB GLU 58 3.309 7.957 -6.031 428 HB3 GLU 58 1HB GLU 58 2.907 9.659 -6.176 429 HG2 GLU 58 2HG GLU 58 5.718 8.644 -6.459 430 HG3 GLU 58 1HG GLU 58 4.595 8.715 -7.814 431 H LEU 59 HN LEU 59 4.009 6.748 -3.680 432 HA LEU 59 HA LEU 59 6.794 6.249 -4.175 433 HG LEU 59 HG LEU 59 5.472 4.616 -1.141 434 HB2 LEU 59 2HB LEU 59 7.543 5.753 -2.016 435 HB3 LEU 59 1HB LEU 59 6.709 7.279 -1.843 436 HD11 LEU 59 1HD1 LEU 59 6.848 6.627 0.631 437 HD12 LEU 59 2HD1 LEU 59 7.394 4.989 0.273 438 HD13 LEU 59 3HD1 LEU 59 5.911 5.243 1.194 439 HD21 LEU 59 3HD2 LEU 59 3.858 6.383 -1.608 440 HD22 LEU 59 1HD2 LEU 59 4.674 7.446 -0.461 441 HD23 LEU 59 2HD2 LEU 59 3.876 5.979 0.109 442 H THR 60 HN THR 60 7.288 3.997 -4.096 443 HA THR 60 HA THR 60 4.869 2.322 -4.099 444 HB THR 60 HB THR 60 7.405 1.886 -5.685 445 HG1 THR 60 1HG THR 60 4.849 2.577 -6.730 446 HG21 THR 60 3HG2 THR 60 6.205 -0.191 -5.105 447 HG22 THR 60 1HG2 THR 60 6.137 0.147 -6.836 448 HG23 THR 60 2HG2 THR 60 4.736 0.473 -5.818 449 H ALA 61 HN ALA 61 4.765 0.932 -2.501 450 HA ALA 61 HA ALA 61 7.250 0.049 -1.207 451 HB1 ALA 61 1HB ALA 61 5.654 1.137 0.288 452 HB2 ALA 61 2HB ALA 61 5.835 -0.568 0.700 453 HB3 ALA 61 3HB ALA 61 4.411 -0.022 -0.183 454 H ARG 62 HN ARG 62 7.943 -1.877 -1.855 455 HA ARG 62 HA ARG 62 6.043 -3.725 -3.070 456 HE ARG 62 HE ARG 62 7.402 -4.796 -6.294 457 HB2 ARG 62 2HB ARG 62 8.042 -3.319 -4.357 458 HB3 ARG 62 1HB ARG 62 9.062 -3.720 -2.982 459 HG2 ARG 62 2HG ARG 62 8.583 -6.000 -3.143 460 HG3 ARG 62 1HG ARG 62 7.159 -5.720 -4.145 461 HD2 ARG 62 2HD ARG 62 9.951 -5.058 -5.047 462 HD3 ARG 62 1HD ARG 62 9.204 -6.632 -5.322 463 HH11 ARG 62 1HH1 ARG 62 10.747 -5.619 -6.938 464 HH12 ARG 62 2HH1 ARG 62 10.660 -5.185 -8.624 465 HH21 ARG 62 1HH2 ARG 62 7.272 -4.215 -8.482 466 HH22 ARG 62 2HH2 ARG 62 8.688 -4.342 -9.492 467 H PHE 63 HN PHE 63 5.105 -5.187 -1.867 468 HA PHE 63 HA PHE 63 6.426 -6.080 0.589 469 HD1 PHE 63 1HD PHE 63 4.986 -5.358 2.933 470 HD2 PHE 63 2HD PHE 63 2.985 -4.054 -0.589 471 HE1 PHE 63 1HE PHE 63 4.524 -3.188 4.001 472 HE2 PHE 63 2HE PHE 63 2.519 -1.885 0.473 473 HZ PHE 63 HZ PHE 63 3.287 -1.449 2.770 474 HB2 PHE 63 2HB PHE 63 3.551 -6.338 -0.316 475 HB3 PHE 63 1HB PHE 63 4.183 -6.950 1.209 476 H LYS 64 HN LYS 64 7.449 -7.922 0.547 477 HA LYS 64 HA LYS 64 6.667 -9.968 -1.409 478 HB2 LYS 64 2HB LYS 64 8.977 -9.122 -1.585 479 HB3 LYS 64 1HB LYS 64 9.273 -9.577 0.083 480 HG2 LYS 64 2HG LYS 64 8.422 -11.664 -1.868 481 HG3 LYS 64 1HG LYS 64 10.087 -11.081 -1.884 482 HD2 LYS 64 2HD LYS 64 10.196 -11.596 0.564 483 HD3 LYS 64 1HD LYS 64 8.612 -12.361 0.410 484 HE2 LYS 64 2HE LYS 64 9.506 -13.919 -1.220 485 HE3 LYS 64 1HE LYS 64 11.084 -13.140 -1.125 486 HZ1 LYS 64 3HZ LYS 64 11.153 -15.050 0.234 487 HZ2 LYS 64 1HZ LYS 64 9.690 -14.672 0.996 488 HZ3 LYS 64 2HZ LYS 64 11.070 -13.725 1.292 489 H PHE 65 HN PHE 65 5.529 -11.571 -0.630 490 HA PHE 65 HA PHE 65 5.464 -12.002 2.266 491 HD1 PHE 65 1HD PHE 65 2.748 -11.201 3.203 492 HD2 PHE 65 2HD PHE 65 3.215 -10.878 -1.012 493 HE1 PHE 65 1HE PHE 65 1.598 -9.024 3.243 494 HE2 PHE 65 2HE PHE 65 2.068 -8.704 -0.980 495 HZ PHE 65 HZ PHE 65 1.258 -7.774 1.152 496 HB2 PHE 65 2HB PHE 65 3.571 -12.979 0.117 497 HB3 PHE 65 1HB PHE 65 3.336 -13.130 1.855 498 H GLU 66 HN GLU 66 4.666 -14.493 2.616 499 HA GLU 66 HA GLU 66 6.972 -16.050 1.756 500 HB2 GLU 66 2HB GLU 66 5.334 -15.928 4.067 501 HB3 GLU 66 1HB GLU 66 5.120 -17.525 3.368 502 HG2 GLU 66 2HG GLU 66 7.797 -16.313 3.978 503 HG3 GLU 66 1HG GLU 66 6.903 -17.350 5.086 504 H VAL 67 HN VAL 67 3.459 -16.054 1.552 505 HA VAL 67 HA VAL 67 3.643 -17.993 -0.655 506 HB VAL 67 HB VAL 67 1.493 -18.985 0.067 507 HG11 VAL 67 1HG1 VAL 67 3.544 -20.114 0.656 508 HG12 VAL 67 2HG1 VAL 67 2.377 -20.273 1.969 509 HG13 VAL 67 3HG1 VAL 67 3.708 -19.123 2.104 510 HG21 VAL 67 3HG2 VAL 67 1.892 -17.323 2.551 511 HG22 VAL 67 1HG2 VAL 67 0.677 -18.586 2.345 512 HG23 VAL 67 2HG2 VAL 67 0.610 -17.130 1.357 513 H SER 68 HN SER 68 1.676 -17.943 -2.070 514 HA SER 68 HA SER 68 1.144 -15.289 -2.870 515 HG SER 68 HG SER 68 2.053 -17.775 -4.253 516 HB2 SER 68 2HB SER 68 -0.141 -17.891 -3.713 517 HB3 SER 68 1HB SER 68 -0.392 -16.345 -4.518 518 H ALA 69 HN ALA 69 -0.437 -17.453 -0.737 519 HA ALA 69 HA ALA 69 -3.042 -16.415 -0.756 520 HB1 ALA 69 1HB ALA 69 -3.267 -17.400 1.473 521 HB2 ALA 69 2HB ALA 69 -1.520 -17.638 1.540 522 HB3 ALA 69 3HB ALA 69 -2.484 -18.507 0.346 523 H GLU 70 HN GLU 70 -0.247 -15.552 1.270 524 HA GLU 70 HA GLU 70 -1.469 -13.511 2.748 525 HB2 GLU 70 2HB GLU 70 1.417 -13.801 1.896 526 HB3 GLU 70 1HB GLU 70 0.840 -12.722 3.155 527 HG2 GLU 70 2HG GLU 70 0.160 -14.569 4.513 528 HG3 GLU 70 1HG GLU 70 0.527 -15.708 3.217 529 H LYS 71 HN LYS 71 0.244 -13.500 -0.311 530 HA LYS 71 HA LYS 71 0.287 -10.785 -0.903 531 HB2 LYS 71 2HB LYS 71 1.245 -12.880 -2.146 532 HB3 LYS 71 1HB LYS 71 -0.293 -12.883 -2.977 533 HG2 LYS 71 2HG LYS 71 1.402 -10.419 -2.926 534 HG3 LYS 71 1HG LYS 71 1.711 -11.716 -4.079 535 HD2 LYS 71 2HD LYS 71 -0.908 -10.248 -3.763 536 HD3 LYS 71 1HD LYS 71 0.289 -9.943 -5.024 537 HE2 LYS 71 2HE LYS 71 -1.191 -12.531 -4.570 538 HE3 LYS 71 1HE LYS 71 -1.544 -11.354 -5.833 539 HZ1 LYS 71 3HZ LYS 71 -0.234 -13.232 -6.640 540 HZ2 LYS 71 1HZ LYS 71 1.013 -12.852 -5.561 541 HZ3 LYS 71 2HZ LYS 71 0.616 -11.774 -6.807 542 H LEU 72 HN LEU 72 -2.101 -13.233 -1.788 543 HA LEU 72 HA LEU 72 -3.972 -11.532 -2.994 544 HG LEU 72 HG LEU 72 -2.926 -14.320 -3.590 545 HB2 LEU 72 2HB LEU 72 -4.382 -14.168 -1.589 546 HB3 LEU 72 1HB LEU 72 -5.601 -13.373 -2.564 547 HD11 LEU 72 1HD1 LEU 72 -4.230 -16.063 -4.725 548 HD12 LEU 72 2HD1 LEU 72 -5.676 -15.519 -3.875 549 HD13 LEU 72 3HD1 LEU 72 -4.325 -16.199 -2.969 550 HD21 LEU 72 3HD2 LEU 72 -5.348 -13.252 -5.036 551 HD22 LEU 72 1HD2 LEU 72 -3.880 -13.872 -5.793 552 HD23 LEU 72 2HD2 LEU 72 -3.818 -12.405 -4.815 553 H ILE 73 HN ILE 73 -3.834 -12.721 0.362 554 HA ILE 73 HA ILE 73 -6.257 -11.569 1.194 555 HB ILE 73 HB ILE 73 -3.815 -12.292 2.822 556 HG12 ILE 73 2HG1 ILE 73 -6.439 -13.748 2.390 557 HG13 ILE 73 1HG1 ILE 73 -4.920 -14.149 1.597 558 HG21 ILE 73 1HG2 ILE 73 -5.297 -12.247 4.772 559 HG22 ILE 73 2HG2 ILE 73 -6.609 -11.640 3.762 560 HG23 ILE 73 3HG2 ILE 73 -5.168 -10.657 4.021 561 HD11 ILE 73 3HD1 ILE 73 -5.454 -14.281 4.555 562 HD12 ILE 73 1HD1 ILE 73 -3.930 -14.685 3.763 563 HD13 ILE 73 2HD1 ILE 73 -5.374 -15.650 3.446 564 H PHE 74 HN PHE 74 -2.936 -10.302 1.326 565 HA PHE 74 HA PHE 74 -3.511 -7.920 2.696 566 HD1 PHE 74 1HD PHE 74 -1.414 -6.653 3.833 567 HD2 PHE 74 2HD PHE 74 -0.858 -6.419 -0.379 568 HE1 PHE 74 1HE PHE 74 -0.587 -4.349 4.075 569 HE2 PHE 74 2HE PHE 74 -0.030 -4.113 -0.146 570 HZ PHE 74 HZ PHE 74 0.106 -3.079 2.082 571 HB2 PHE 74 2HB PHE 74 -1.219 -8.701 2.331 572 HB3 PHE 74 1HB PHE 74 -1.396 -8.464 0.596 573 H GLU 75 HN GLU 75 -3.482 -8.669 -0.765 574 HA GLU 75 HA GLU 75 -4.215 -6.120 -1.674 575 HB2 GLU 75 2HB GLU 75 -4.287 -8.874 -2.821 576 HB3 GLU 75 1HB GLU 75 -5.128 -7.584 -3.664 577 HG2 GLU 75 2HG GLU 75 -2.237 -7.447 -2.872 578 HG3 GLU 75 1HG GLU 75 -2.809 -7.993 -4.450 579 H LEU 76 HN LEU 76 -6.198 -8.908 -0.724 580 HA LEU 76 HA LEU 76 -8.673 -7.847 -1.484 581 HG LEU 76 HG LEU 76 -7.541 -10.616 -1.725 582 HB2 LEU 76 2HB LEU 76 -7.853 -9.852 0.601 583 HB3 LEU 76 1HB LEU 76 -9.513 -9.481 0.244 584 HD11 LEU 76 1HD1 LEU 76 -8.882 -12.663 -1.547 585 HD12 LEU 76 2HD1 LEU 76 -9.833 -11.917 -0.262 586 HD13 LEU 76 3HD1 LEU 76 -8.117 -12.238 -0.015 587 HD21 LEU 76 3HD2 LEU 76 -9.482 -10.922 -3.170 588 HD22 LEU 76 1HD2 LEU 76 -9.239 -9.217 -2.788 589 HD23 LEU 76 2HD2 LEU 76 -10.507 -10.132 -1.972 590 H LYS 77 HN LYS 77 -6.827 -7.626 1.530 591 HA LYS 77 HA LYS 77 -8.816 -6.271 3.021 592 HB2 LYS 77 2HB LYS 77 -5.820 -6.365 3.334 593 HB3 LYS 77 1HB LYS 77 -6.888 -5.568 4.477 594 HG2 LYS 77 2HG LYS 77 -8.026 -7.731 4.854 595 HG3 LYS 77 1HG LYS 77 -6.836 -8.497 3.796 596 HD2 LYS 77 2HD LYS 77 -5.041 -7.786 5.275 597 HD3 LYS 77 1HD LYS 77 -6.203 -6.962 6.315 598 HE2 LYS 77 2HE LYS 77 -6.143 -9.926 5.762 599 HE3 LYS 77 1HE LYS 77 -5.508 -9.143 7.205 600 HZ1 LYS 77 3HZ LYS 77 -8.330 -9.327 6.334 601 HZ2 LYS 77 1HZ LYS 77 -7.818 -8.261 7.553 602 HZ3 LYS 77 2HZ LYS 77 -7.629 -9.933 7.756 603 H THR 78 HN THR 78 -6.133 -5.130 1.006 604 HA THR 78 HA THR 78 -6.336 -2.424 1.795 605 HB THR 78 HB THR 78 -5.013 -1.968 -0.316 606 HG1 THR 78 1HG THR 78 -4.272 -4.552 -0.655 607 HG21 THR 78 3HG2 THR 78 -2.974 -3.080 0.556 608 HG22 THR 78 1HG2 THR 78 -3.990 -4.013 1.654 609 HG23 THR 78 2HG2 THR 78 -3.902 -2.260 1.811 610 H ARG 79 HN ARG 79 -8.102 -4.297 -0.536 611 HA ARG 79 HA ARG 79 -9.058 -2.294 -2.206 612 HE ARG 79 HE ARG 79 -6.525 -4.843 -4.010 613 HB2 ARG 79 2HB ARG 79 -10.535 -4.741 -1.223 614 HB3 ARG 79 1HB ARG 79 -10.902 -3.813 -2.658 615 HG2 ARG 79 2HG ARG 79 -8.394 -5.389 -2.187 616 HG3 ARG 79 1HG ARG 79 -9.741 -5.865 -3.219 617 HD2 ARG 79 2HD ARG 79 -9.278 -4.188 -4.788 618 HD3 ARG 79 1HD ARG 79 -8.265 -3.291 -3.657 619 HH11 ARG 79 1HH1 ARG 79 -9.343 -5.559 -5.952 620 HH12 ARG 79 2HH1 ARG 79 -8.463 -6.517 -7.106 621 HH21 ARG 79 1HH2 ARG 79 -5.350 -6.083 -5.523 622 HH22 ARG 79 2HH2 ARG 79 -6.199 -6.841 -6.846 623 H SER 80 HN SER 80 -10.292 -3.458 0.911 624 HA SER 80 HA SER 80 -12.423 -1.530 0.930 625 HG SER 80 HG SER 80 -12.457 -4.903 1.910 626 HB2 SER 80 2HB SER 80 -11.464 -3.461 3.051 627 HB3 SER 80 1HB SER 80 -12.966 -2.557 3.082 628 H LEU 81 HN LEU 81 -9.194 -1.823 2.216 629 HA LEU 81 HA LEU 81 -9.448 0.136 4.253 630 HG LEU 81 HG LEU 81 -6.392 0.968 3.336 631 HB2 LEU 81 2HB LEU 81 -7.733 -1.391 4.591 632 HB3 LEU 81 1HB LEU 81 -7.222 -1.341 2.916 633 HD11 LEU 81 1HD1 LEU 81 -6.854 0.206 6.217 634 HD12 LEU 81 2HD1 LEU 81 -7.682 1.487 5.332 635 HD13 LEU 81 3HD1 LEU 81 -5.956 1.619 5.664 636 HD21 LEU 81 3HD2 LEU 81 -4.889 -0.934 3.229 637 HD22 LEU 81 1HD2 LEU 81 -5.162 -1.266 4.940 638 HD23 LEU 81 2HD2 LEU 81 -4.339 0.215 4.449 639 H ALA 82 HN ALA 82 -8.363 0.147 0.894 640 HA ALA 82 HA ALA 82 -7.544 2.914 1.024 641 HB1 ALA 82 1HB ALA 82 -6.963 2.641 -1.334 642 HB2 ALA 82 2HB ALA 82 -7.722 1.049 -1.337 643 HB3 ALA 82 3HB ALA 82 -6.288 1.339 -0.353 644 H ARG 83 HN ARG 83 -10.428 1.843 1.268 645 HA ARG 83 HA ARG 83 -11.820 3.129 -0.890 646 HE ARG 83 HE ARG 83 -16.650 2.292 -0.785 647 HB2 ARG 83 2HB ARG 83 -12.723 1.182 0.429 648 HB3 ARG 83 1HB ARG 83 -12.924 2.272 1.792 649 HG2 ARG 83 2HG ARG 83 -14.478 3.630 0.454 650 HG3 ARG 83 1HG ARG 83 -14.295 2.491 -0.883 651 HD2 ARG 83 2HD ARG 83 -15.076 0.690 0.696 652 HD3 ARG 83 1HD ARG 83 -15.483 1.971 1.835 653 HH11 ARG 83 1HH1 ARG 83 -17.057 1.044 2.457 654 HH12 ARG 83 2HH1 ARG 83 -18.775 0.828 2.301 655 HH21 ARG 83 1HH2 ARG 83 -18.927 2.035 -0.987 656 HH22 ARG 83 2HH2 ARG 83 -19.832 1.411 0.354 657 H LEU 84 HN LEU 84 -10.718 3.968 2.307 658 HA LEU 84 HA LEU 84 -12.130 6.506 2.220 659 HG LEU 84 HG LEU 84 -12.245 3.912 4.123 660 HB2 LEU 84 2HB LEU 84 -10.337 5.458 4.396 661 HB3 LEU 84 1HB LEU 84 -11.459 6.801 4.518 662 HD11 LEU 84 1HD1 LEU 84 -13.027 4.028 6.433 663 HD12 LEU 84 2HD1 LEU 84 -12.387 5.665 6.571 664 HD13 LEU 84 3HD1 LEU 84 -11.289 4.307 6.329 665 HD21 LEU 84 3HD2 LEU 84 -13.921 6.365 4.648 666 HD22 LEU 84 1HD2 LEU 84 -14.515 4.706 4.577 667 HD23 LEU 84 2HD2 LEU 84 -13.844 5.465 3.134 668 H GLU 85 HN GLU 85 -9.359 5.252 1.206 669 HA GLU 85 HA GLU 85 -7.822 7.750 1.444 670 HB2 GLU 85 2HB GLU 85 -6.755 5.007 0.734 671 HB3 GLU 85 1HB GLU 85 -5.810 6.453 1.043 672 HG2 GLU 85 2HG GLU 85 -7.439 4.904 3.043 673 HG3 GLU 85 1HG GLU 85 -5.683 4.964 2.925 674 H HIS 86 HN HIS 86 -6.087 7.527 -0.657 675 HA HIS 86 HA HIS 86 -7.891 7.348 -2.990 676 HD1 HIS 86 1HD HIS 86 -6.209 11.721 -3.023 677 HD2 HIS 86 2HD HIS 86 -9.106 9.073 -1.658 678 HE1 HIS 86 1HE HIS 86 -8.020 13.150 -2.036 679 HE2 HIS 86 2HE HIS 86 -9.733 11.533 -1.151 680 HB2 HIS 86 2HB HIS 86 -5.455 9.107 -2.617 681 HB3 HIS 86 1HB HIS 86 -6.406 8.998 -4.092 682 H HIS 87 HN HIS 87 -7.471 5.191 -3.446 683 HA HIS 87 HA HIS 87 -4.895 4.688 -4.718 684 HD1 HIS 87 1HD HIS 87 -2.361 3.555 -3.159 685 HD2 HIS 87 2HD HIS 87 -5.322 4.749 -0.502 686 HE1 HIS 87 1HE HIS 87 -1.161 4.687 -1.271 687 HE2 HIS 87 2HE HIS 87 -2.985 5.627 0.187 688 HB2 HIS 87 2HB HIS 87 -5.978 2.921 -2.512 689 HB3 HIS 87 1HB HIS 87 -4.664 2.474 -3.588 690 H HIS 88 HN HIS 88 -5.393 3.939 -6.672 691 HA HIS 88 HA HIS 88 -7.582 1.978 -6.851 692 HD1 HIS 88 1HD HIS 88 -8.311 6.135 -8.321 693 HD2 HIS 88 2HD HIS 88 -10.095 2.580 -7.098 694 HE1 HIS 88 1HE HIS 88 -10.511 6.795 -7.289 695 HE2 HIS 88 2HE HIS 88 -11.524 4.638 -6.457 696 HB2 HIS 88 2HB HIS 88 -6.880 4.179 -8.791 697 HB3 HIS 88 1HB HIS 88 -7.868 2.795 -9.247 698 H HIS 89 HN HIS 89 -6.657 0.090 -7.035 699 HA HIS 89 HA HIS 89 -4.054 -0.311 -8.104 700 HD1 HIS 89 1HD HIS 89 -2.483 -2.465 -7.935 701 HD2 HIS 89 2HD HIS 89 -4.894 -2.438 -4.546 702 HE1 HIS 89 1HE HIS 89 -0.971 -3.059 -6.022 703 HE2 HIS 89 2HE HIS 89 -2.535 -3.392 -4.076 704 HB2 HIS 89 2HB HIS 89 -6.121 -1.953 -6.874 705 HB3 HIS 89 1HB HIS 89 -5.311 -2.789 -8.192 706 H HIS 90 HN HIS 90 -3.733 0.170 -10.211 707 HA HIS 90 HA HIS 90 -5.489 -1.101 -12.183 708 HD1 HIS 90 1HD HIS 90 -2.899 -0.795 -14.976 709 HD2 HIS 90 2HD HIS 90 -6.498 1.259 -14.563 710 HE1 HIS 90 1HE HIS 90 -3.972 -0.832 -17.248 711 HE2 HIS 90 2HE HIS 90 -6.236 0.222 -16.921 712 HB2 HIS 90 2HB HIS 90 -4.760 1.337 -12.445 713 HB3 HIS 90 1HB HIS 90 -3.146 0.716 -12.770 714 H HIS 91 HN HIS 91 -4.952 -3.178 -12.329 715 HA HIS 91 HA HIS 91 -2.090 -3.879 -12.443 716 HD1 HIS 91 1HD HIS 91 -3.497 -7.769 -12.283 717 HD2 HIS 91 2HD HIS 91 -0.665 -5.690 -10.059 718 HE1 HIS 91 1HE HIS 91 -1.663 -9.418 -11.817 719 HE2 HIS 91 2HE HIS 91 0.101 -8.114 -10.579 720 HB2 HIS 91 2HB HIS 91 -3.246 -4.600 -10.347 721 HB3 HIS 91 1HB HIS 91 -4.358 -5.548 -11.324 Start of MODEL 11 1 HA ALA 1 HA ALA 1 12.268 -8.958 -17.952 2 H1 ALA 1 1HT ALA 1 10.230 -8.691 -19.143 3 H2 ALA 1 2HT ALA 1 11.244 -9.766 -19.973 4 H3 ALA 1 3HT ALA 1 11.052 -8.174 -20.533 5 HB1 ALA 1 2HB ALA 1 13.663 -9.584 -19.869 6 HB2 ALA 1 3HB ALA 1 14.391 -8.281 -18.929 7 HB3 ALA 1 1HB ALA 1 13.588 -7.924 -20.458 8 H GLY 2 HN GLY 2 11.165 -7.447 -16.743 9 HA2 GLY 2 2HA GLY 2 11.862 -4.648 -17.371 10 HA3 GLY 2 1HA GLY 2 10.257 -5.087 -16.800 11 H GLU 3 HN GLU 3 13.669 -5.513 -15.899 12 HA GLU 3 HA GLU 3 13.110 -6.003 -13.167 13 HB2 GLU 3 2HB GLU 3 15.324 -6.180 -14.813 14 HB3 GLU 3 1HB GLU 3 15.743 -4.876 -13.711 15 HG2 GLU 3 2HG GLU 3 15.294 -6.339 -11.809 16 HG3 GLU 3 1HG GLU 3 14.888 -7.648 -12.920 17 H ILE 4 HN ILE 4 12.308 -4.583 -11.801 18 HA ILE 4 HA ILE 4 12.679 -1.731 -12.174 19 HB ILE 4 HB ILE 4 11.278 -3.038 -9.841 20 HG12 ILE 4 2HG1 ILE 4 10.345 -3.983 -11.923 21 HG13 ILE 4 1HG1 ILE 4 9.185 -2.943 -11.104 22 HG21 ILE 4 1HG2 ILE 4 10.980 -0.356 -11.183 23 HG22 ILE 4 2HG2 ILE 4 11.646 -0.677 -9.582 24 HG23 ILE 4 3HG2 ILE 4 9.934 -0.953 -9.896 25 HD11 ILE 4 3HD1 ILE 4 10.850 -2.192 -13.501 26 HD12 ILE 4 1HD1 ILE 4 9.694 -1.143 -12.680 27 HD13 ILE 4 2HD1 ILE 4 9.134 -2.597 -13.505 28 H GLY 5 HN GLY 5 13.335 -0.415 -10.211 29 HA2 GLY 5 2HA GLY 5 15.892 -1.436 -9.330 30 HA3 GLY 5 1HA GLY 5 15.281 0.187 -9.100 31 H PHE 6 HN PHE 6 14.107 -2.992 -8.101 32 HA PHE 6 HA PHE 6 14.352 -2.109 -5.307 33 HD1 PHE 6 1HD PHE 6 12.263 -1.356 -3.751 34 HD2 PHE 6 2HD PHE 6 10.911 -2.158 -7.699 35 HE1 PHE 6 1HE PHE 6 10.873 0.674 -3.679 36 HE2 PHE 6 2HE PHE 6 9.521 -0.130 -7.642 37 HZ PHE 6 HZ PHE 6 9.499 1.291 -5.629 38 HB2 PHE 6 2HB PHE 6 12.153 -3.764 -6.551 39 HB3 PHE 6 1HB PHE 6 12.406 -3.642 -4.818 40 H ILE 7 HN ILE 7 14.710 -3.821 -3.771 41 HA ILE 7 HA ILE 7 16.582 -5.766 -4.775 42 HB ILE 7 HB ILE 7 15.562 -5.346 -1.959 43 HG12 ILE 7 2HG1 ILE 7 18.096 -4.371 -3.300 44 HG13 ILE 7 1HG1 ILE 7 16.703 -3.369 -2.903 45 HG21 ILE 7 1HG2 ILE 7 17.940 -6.900 -2.978 46 HG22 ILE 7 2HG2 ILE 7 16.481 -7.570 -2.247 47 HG23 ILE 7 3HG2 ILE 7 17.576 -6.584 -1.280 48 HD11 ILE 7 3HD1 ILE 7 18.485 -3.076 -1.289 49 HD12 ILE 7 1HD1 ILE 7 18.470 -4.802 -0.934 50 HD13 ILE 7 2HD1 ILE 7 17.071 -3.807 -0.532 51 H ILE 8 HN ILE 8 13.331 -5.767 -3.429 52 HA ILE 8 HA ILE 8 13.122 -8.647 -3.594 53 HB ILE 8 HB ILE 8 11.065 -6.536 -2.942 54 HG12 ILE 8 2HG1 ILE 8 12.473 -8.582 -1.223 55 HG13 ILE 8 1HG1 ILE 8 12.883 -6.871 -1.293 56 HG21 ILE 8 1HG2 ILE 8 10.812 -9.542 -2.838 57 HG22 ILE 8 2HG2 ILE 8 9.973 -8.467 -3.956 58 HG23 ILE 8 3HG2 ILE 8 9.623 -8.392 -2.229 59 HD11 ILE 8 3HD1 ILE 8 10.291 -8.045 -0.322 60 HD12 ILE 8 1HD1 ILE 8 10.656 -6.323 -0.432 61 HD13 ILE 8 2HD1 ILE 8 11.570 -7.350 0.672 62 H LYS 9 HN LYS 9 12.641 -9.708 -5.348 63 HA LYS 9 HA LYS 9 11.837 -8.319 -7.747 64 HB2 LYS 9 2HB LYS 9 13.594 -10.076 -7.723 65 HB3 LYS 9 1HB LYS 9 12.375 -11.258 -7.268 66 HG2 LYS 9 2HG LYS 9 11.231 -10.943 -9.350 67 HG3 LYS 9 1HG LYS 9 12.334 -9.642 -9.794 68 HD2 LYS 9 2HD LYS 9 13.379 -12.382 -9.178 69 HD3 LYS 9 1HD LYS 9 12.702 -12.024 -10.767 70 HE2 LYS 9 2HE LYS 9 15.071 -11.722 -10.880 71 HE3 LYS 9 1HE LYS 9 14.311 -10.137 -10.961 72 HZ1 LYS 9 3HZ LYS 9 16.303 -10.292 -9.493 73 HZ2 LYS 9 1HZ LYS 9 15.413 -11.293 -8.453 74 HZ3 LYS 9 2HZ LYS 9 14.919 -9.692 -8.723 75 H GLU 10 HN GLU 10 10.058 -9.205 -9.098 76 HA GLU 10 HA GLU 10 7.629 -9.240 -7.654 77 HB2 GLU 10 2HB GLU 10 8.182 -9.870 -10.558 78 HB3 GLU 10 1HB GLU 10 6.624 -9.466 -9.867 79 HG2 GLU 10 2HG GLU 10 7.372 -7.238 -9.344 80 HG3 GLU 10 1HG GLU 10 8.999 -7.629 -9.896 81 H GLY 11 HN GLY 11 5.918 -10.963 -8.185 82 HA2 GLY 11 2HA GLY 11 6.433 -13.528 -8.995 83 HA3 GLY 11 1HA GLY 11 6.897 -13.492 -7.300 84 H ASP 12 HN ASP 12 5.104 -15.181 -7.493 85 HA ASP 12 HA ASP 12 2.405 -14.180 -7.578 86 HB2 ASP 12 2HB ASP 12 1.796 -16.514 -6.923 87 HB3 ASP 12 1HB ASP 12 2.786 -16.424 -8.374 88 H GLU 13 HN GLU 13 4.847 -14.446 -5.249 89 HA GLU 13 HA GLU 13 2.903 -14.003 -3.077 90 HB2 GLU 13 2HB GLU 13 5.292 -14.402 -1.799 91 HB3 GLU 13 1HB GLU 13 4.071 -15.636 -2.063 92 HG2 GLU 13 2HG GLU 13 6.268 -16.459 -2.660 93 HG3 GLU 13 1HG GLU 13 5.233 -16.366 -4.082 94 H VAL 14 HN VAL 14 4.278 -12.191 -5.159 95 HA VAL 14 HA VAL 14 5.160 -10.147 -3.234 96 HB VAL 14 HB VAL 14 6.395 -10.619 -5.955 97 HG11 VAL 14 1HG1 VAL 14 6.418 -8.284 -5.341 98 HG12 VAL 14 2HG1 VAL 14 8.048 -8.951 -5.218 99 HG13 VAL 14 3HG1 VAL 14 7.094 -8.676 -3.759 100 HG21 VAL 14 3HG2 VAL 14 8.408 -11.294 -4.725 101 HG22 VAL 14 1HG2 VAL 14 7.050 -12.374 -4.412 102 HG23 VAL 14 2HG2 VAL 14 7.514 -11.170 -3.210 103 H ALA 15 HN ALA 15 4.352 -8.140 -3.538 104 HA ALA 15 HA ALA 15 3.370 -7.266 -6.114 105 HB1 ALA 15 1HB ALA 15 1.118 -6.714 -5.358 106 HB2 ALA 15 2HB ALA 15 1.450 -7.443 -3.788 107 HB3 ALA 15 3HB ALA 15 1.399 -8.451 -5.234 108 H ASP 16 HN ASP 16 3.466 -5.021 -6.272 109 HA ASP 16 HA ASP 16 4.267 -3.643 -3.818 110 HB2 ASP 16 2HB ASP 16 5.234 -1.898 -5.305 111 HB3 ASP 16 1HB ASP 16 6.021 -3.457 -5.433 112 H VAL 17 HN VAL 17 3.427 -1.647 -3.320 113 HA VAL 17 HA VAL 17 0.943 -0.927 -4.744 114 HB VAL 17 HB VAL 17 1.461 -0.429 -1.821 115 HG11 VAL 17 1HG1 VAL 17 -0.141 1.082 -2.824 116 HG12 VAL 17 2HG1 VAL 17 -0.964 -0.032 -1.731 117 HG13 VAL 17 3HG1 VAL 17 -1.051 -0.283 -3.474 118 HG21 VAL 17 3HG2 VAL 17 1.376 -2.841 -2.175 119 HG22 VAL 17 1HG2 VAL 17 -0.153 -2.665 -3.037 120 HG23 VAL 17 2HG2 VAL 17 -0.061 -2.279 -1.319 121 H THR 18 HN THR 18 0.785 1.082 -5.397 122 HA THR 18 HA THR 18 2.965 2.930 -4.744 123 HB THR 18 HB THR 18 1.039 3.022 -7.077 124 HG1 THR 18 1HG THR 18 3.143 1.445 -6.653 125 HG21 THR 18 3HG2 THR 18 1.983 5.211 -6.494 126 HG22 THR 18 1HG2 THR 18 2.650 4.627 -8.019 127 HG23 THR 18 2HG2 THR 18 3.608 4.527 -6.541 128 H ILE 19 HN ILE 19 2.437 4.349 -3.219 129 HA ILE 19 HA ILE 19 -0.396 4.987 -2.789 130 HB ILE 19 HB ILE 19 1.897 5.624 -0.938 131 HG12 ILE 19 2HG1 ILE 19 0.101 3.181 -0.866 132 HG13 ILE 19 1HG1 ILE 19 1.790 3.173 -1.365 133 HG21 ILE 19 1HG2 ILE 19 0.156 5.757 0.764 134 HG22 ILE 19 2HG2 ILE 19 -1.065 5.372 -0.448 135 HG23 ILE 19 3HG2 ILE 19 -0.157 6.880 -0.561 136 HD11 ILE 19 3HD1 ILE 19 0.751 3.881 1.371 137 HD12 ILE 19 1HD1 ILE 19 2.444 3.904 0.878 138 HD13 ILE 19 2HD1 ILE 19 1.557 2.381 0.910 139 H PHE 20 HN PHE 20 -1.144 7.051 -2.740 140 HA PHE 20 HA PHE 20 0.716 9.225 -3.398 141 HD1 PHE 20 2HD PHE 20 0.924 9.872 -6.312 142 HD2 PHE 20 1HD PHE 20 -1.909 6.786 -5.568 143 HE1 PHE 20 2HE PHE 20 1.751 8.643 -8.277 144 HE2 PHE 20 1HE PHE 20 -1.090 5.555 -7.532 145 HZ PHE 20 HZ PHE 20 0.743 6.479 -8.890 146 HB2 PHE 20 2HB PHE 20 -2.092 8.914 -4.480 147 HB3 PHE 20 1HB PHE 20 -0.982 10.221 -4.837 148 H ALA 21 HN ALA 21 0.354 11.128 -2.305 149 HA ALA 21 HA ALA 21 -2.106 11.560 -0.864 150 HB1 ALA 21 1HB ALA 21 0.390 11.440 0.794 151 HB2 ALA 21 2HB ALA 21 -0.709 10.073 0.630 152 HB3 ALA 21 3HB ALA 21 -1.279 11.585 1.336 153 H GLU 22 HN GLU 22 -1.648 13.575 0.692 154 HA GLU 22 HA GLU 22 -1.269 15.711 -1.102 155 HB2 GLU 22 2HB GLU 22 -1.288 15.855 1.913 156 HB3 GLU 22 1HB GLU 22 -1.678 17.148 0.788 157 HG2 GLU 22 2HG GLU 22 -3.257 14.611 1.139 158 HG3 GLU 22 1HG GLU 22 -3.662 16.175 1.843 159 H THR 23 HN THR 23 0.805 14.336 1.407 160 HA THR 23 HA THR 23 3.040 15.977 0.488 161 HB THR 23 HB THR 23 3.584 16.569 2.890 162 HG1 THR 23 1HG THR 23 1.570 16.641 4.222 163 HG21 THR 23 3HG2 THR 23 1.081 17.759 1.689 164 HG22 THR 23 1HG2 THR 23 2.740 18.263 1.362 165 HG23 THR 23 2HG2 THR 23 2.046 18.499 2.967 166 H LYS 24 HN LYS 24 5.082 15.387 1.596 167 HA LYS 24 HA LYS 24 5.803 12.748 1.676 168 HB2 LYS 24 2HB LYS 24 7.508 14.371 1.737 169 HB3 LYS 24 1HB LYS 24 6.818 15.171 3.136 170 HG2 LYS 24 2HG LYS 24 7.435 13.170 4.494 171 HG3 LYS 24 1HG LYS 24 8.286 12.543 3.078 172 HD2 LYS 24 2HD LYS 24 9.807 14.360 3.079 173 HD3 LYS 24 1HD LYS 24 8.839 15.262 4.242 174 HE2 LYS 24 2HE LYS 24 10.793 14.333 5.325 175 HE3 LYS 24 1HE LYS 24 9.335 13.563 5.946 176 HZ1 LYS 24 3HZ LYS 24 11.214 12.035 5.461 177 HZ2 LYS 24 1HZ LYS 24 11.022 12.387 3.815 178 HZ3 LYS 24 2HZ LYS 24 9.766 11.634 4.677 179 H ASP 25 HN ASP 25 4.857 14.731 4.451 180 HA ASP 25 HA ASP 25 4.940 12.763 6.431 181 HB2 ASP 25 2HB ASP 25 4.719 15.184 6.871 182 HB3 ASP 25 1HB ASP 25 3.082 15.151 6.231 183 H ALA 26 HN ALA 26 2.233 13.764 4.355 184 HA ALA 26 HA ALA 26 0.338 11.981 5.422 185 HB1 ALA 26 1HB ALA 26 -0.218 13.924 4.007 186 HB2 ALA 26 2HB ALA 26 -0.975 12.431 3.453 187 HB3 ALA 26 3HB ALA 26 0.440 13.067 2.613 188 H LEU 27 HN LEU 27 2.681 11.635 2.800 189 HA LEU 27 HA LEU 27 2.020 9.094 1.862 190 HG LEU 27 HG LEU 27 3.428 8.925 -0.230 191 HB2 LEU 27 2HB LEU 27 4.435 10.780 1.927 192 HB3 LEU 27 1HB LEU 27 4.757 9.063 1.824 193 HD11 LEU 27 1HD1 LEU 27 2.748 11.024 -1.352 194 HD12 LEU 27 2HD1 LEU 27 3.086 11.887 0.150 195 HD13 LEU 27 3HD1 LEU 27 1.825 10.655 0.100 196 HD21 LEU 27 3HD2 LEU 27 4.952 10.209 -1.671 197 HD22 LEU 27 1HD2 LEU 27 5.804 9.315 -0.410 198 HD23 LEU 27 2HD2 LEU 27 5.558 11.054 -0.247 199 H GLU 28 HN GLU 28 4.287 10.002 4.427 200 HA GLU 28 HA GLU 28 4.948 7.379 5.175 201 HB2 GLU 28 2HB GLU 28 5.263 10.080 6.441 202 HB3 GLU 28 1HB GLU 28 5.781 8.629 7.277 203 HG2 GLU 28 2HG GLU 28 7.210 8.065 5.344 204 HG3 GLU 28 1HG GLU 28 6.733 9.582 4.588 205 H SER 29 HN SER 29 2.420 9.575 6.294 206 HA SER 29 HA SER 29 1.627 8.081 8.545 207 HG SER 29 HG SER 29 1.972 10.534 8.278 208 HB2 SER 29 2HB SER 29 0.012 9.912 6.757 209 HB3 SER 29 1HB SER 29 -0.520 9.306 8.322 210 H GLU 30 HN GLU 30 0.510 8.017 5.168 211 HA GLU 30 HA GLU 30 -1.436 5.981 5.603 212 HB2 GLU 30 2HB GLU 30 -1.108 7.749 3.657 213 HB3 GLU 30 1HB GLU 30 -0.179 6.446 2.930 214 HG2 GLU 30 2HG GLU 30 -2.370 6.291 2.083 215 HG3 GLU 30 1HG GLU 30 -2.175 4.975 3.240 216 H LEU 31 HN LEU 31 1.899 6.050 4.482 217 HA LEU 31 HA LEU 31 2.201 3.394 3.685 218 HG LEU 31 HG LEU 31 4.943 2.729 4.673 219 HB2 LEU 31 2HB LEU 31 3.864 5.236 3.392 220 HB3 LEU 31 1HB LEU 31 4.260 5.096 5.085 221 HD11 LEU 31 1HD1 LEU 31 3.663 2.321 2.652 222 HD12 LEU 31 2HD1 LEU 31 5.380 2.029 2.376 223 HD13 LEU 31 3HD1 LEU 31 4.630 3.511 1.784 224 HD21 LEU 31 3HD2 LEU 31 6.414 4.817 3.072 225 HD22 LEU 31 1HD2 LEU 31 7.085 3.300 3.670 226 HD23 LEU 31 2HD2 LEU 31 6.577 4.550 4.808 227 H ALA 32 HN ALA 32 2.677 4.911 6.830 228 HA ALA 32 HA ALA 32 3.508 2.731 8.323 229 HB1 ALA 32 1HB ALA 32 1.681 4.956 9.228 230 HB2 ALA 32 2HB ALA 32 3.443 5.017 9.189 231 HB3 ALA 32 3HB ALA 32 2.625 3.897 10.277 232 H LYS 33 HN LYS 33 0.212 3.689 7.459 233 HA LYS 33 HA LYS 33 -1.148 1.742 8.967 234 HB2 LYS 33 2HB LYS 33 -1.904 3.196 6.427 235 HB3 LYS 33 1HB LYS 33 -3.008 2.202 7.350 236 HG2 LYS 33 2HG LYS 33 -1.618 4.655 8.385 237 HG3 LYS 33 1HG LYS 33 -3.281 4.592 7.800 238 HD2 LYS 33 2HD LYS 33 -3.760 2.888 9.559 239 HD3 LYS 33 1HD LYS 33 -2.136 3.159 10.194 240 HE2 LYS 33 2HE LYS 33 -3.764 4.452 11.445 241 HE3 LYS 33 1HE LYS 33 -2.681 5.520 10.554 242 HZ1 LYS 33 3HZ LYS 33 -5.421 4.745 9.697 243 HZ2 LYS 33 1HZ LYS 33 -4.384 5.804 8.868 244 HZ3 LYS 33 2HZ LYS 33 -4.994 6.230 10.394 245 H TYR 34 HN TYR 34 0.192 1.701 5.702 246 HA TYR 34 HA TYR 34 -0.844 -0.862 5.025 247 HD1 TYR 34 1HD TYR 34 -0.598 2.519 3.588 248 HD2 TYR 34 2HD TYR 34 -0.677 -1.369 1.864 249 HE1 TYR 34 1HE TYR 34 -2.416 3.227 2.091 250 HE2 TYR 34 2HE TYR 34 -2.490 -0.672 0.360 251 HH TYR 34 HH TYR 34 -3.386 2.577 -0.068 252 HB2 TYR 34 2HB TYR 34 1.286 0.906 3.869 253 HB3 TYR 34 1HB TYR 34 1.107 -0.750 3.297 254 H ILE 35 HN ILE 35 2.165 0.270 6.479 255 HA ILE 35 HA ILE 35 3.460 -2.241 6.608 256 HB ILE 35 HB ILE 35 3.717 0.122 8.482 257 HG12 ILE 35 2HG1 ILE 35 5.382 -0.659 6.078 258 HG13 ILE 35 1HG1 ILE 35 4.210 0.656 6.118 259 HG21 ILE 35 1HG2 ILE 35 5.553 -2.235 8.066 260 HG22 ILE 35 2HG2 ILE 35 4.585 -1.902 9.502 261 HG23 ILE 35 3HG2 ILE 35 5.906 -0.821 9.062 262 HD11 ILE 35 3HD1 ILE 35 6.713 0.479 7.778 263 HD12 ILE 35 1HD1 ILE 35 5.547 1.802 7.797 264 HD13 ILE 35 2HD1 ILE 35 6.486 1.476 6.340 265 H GLU 36 HN GLU 36 1.268 -0.544 8.785 266 HA GLU 36 HA GLU 36 1.201 -2.385 10.872 267 HB2 GLU 36 2HB GLU 36 -0.715 -0.325 9.821 268 HB3 GLU 36 1HB GLU 36 -1.127 -1.313 11.198 269 HG2 GLU 36 2HG GLU 36 1.242 0.520 10.996 270 HG3 GLU 36 1HG GLU 36 -0.249 0.847 11.880 271 H LEU 37 HN LEU 37 -0.776 -2.116 7.953 272 HA LEU 37 HA LEU 37 -2.456 -4.322 8.498 273 HG LEU 37 HG LEU 37 -4.431 -3.591 7.209 274 HB2 LEU 37 2HB LEU 37 -2.377 -2.358 6.607 275 HB3 LEU 37 1HB LEU 37 -1.838 -3.737 5.672 276 HD11 LEU 37 1HD1 LEU 37 -5.479 -3.484 4.996 277 HD12 LEU 37 2HD1 LEU 37 -3.883 -3.381 4.254 278 HD13 LEU 37 3HD1 LEU 37 -4.450 -2.087 5.311 279 HD21 LEU 37 3HD2 LEU 37 -5.004 -5.640 5.989 280 HD22 LEU 37 1HD2 LEU 37 -3.611 -5.871 7.045 281 HD23 LEU 37 2HD2 LEU 37 -3.378 -5.681 5.307 282 H ALA 38 HN ALA 38 0.712 -3.995 7.060 283 HA ALA 38 HA ALA 38 0.872 -6.534 5.831 284 HB1 ALA 38 1HB ALA 38 3.277 -6.146 5.739 285 HB2 ALA 38 2HB ALA 38 3.115 -4.806 6.875 286 HB3 ALA 38 3HB ALA 38 2.389 -4.696 5.271 287 H LYS 39 HN LYS 39 2.006 -5.368 8.997 288 HA LYS 39 HA LYS 39 2.994 -7.853 9.908 289 HB2 LYS 39 2HB LYS 39 2.207 -5.287 11.219 290 HB3 LYS 39 1HB LYS 39 2.422 -6.703 12.231 291 HG2 LYS 39 2HG LYS 39 4.431 -5.321 12.146 292 HG3 LYS 39 1HG LYS 39 4.712 -6.932 11.493 293 HD2 LYS 39 2HD LYS 39 4.827 -6.152 9.298 294 HD3 LYS 39 1HD LYS 39 4.026 -4.631 9.696 295 HE2 LYS 39 2HE LYS 39 6.449 -4.367 9.287 296 HE3 LYS 39 1HE LYS 39 5.965 -3.874 10.906 297 HZ1 LYS 39 3HZ LYS 39 6.819 -5.917 11.795 298 HZ2 LYS 39 1HZ LYS 39 8.029 -5.180 10.862 299 HZ3 LYS 39 2HZ LYS 39 7.175 -6.507 10.242 300 H SER 40 HN SER 40 -0.189 -6.477 9.809 301 HA SER 40 HA SER 40 -1.430 -8.237 11.650 302 HG SER 40 HG SER 40 -3.918 -7.609 11.693 303 HB2 SER 40 2HB SER 40 -2.445 -6.089 10.978 304 HB3 SER 40 1HB SER 40 -2.636 -6.696 9.334 305 H VAL 41 HN VAL 41 -0.685 -8.394 8.230 306 HA VAL 41 HA VAL 41 -2.252 -10.806 7.854 307 HB VAL 41 HB VAL 41 -0.424 -9.348 5.933 308 HG11 VAL 41 1HG1 VAL 41 -2.378 -11.594 5.424 309 HG12 VAL 41 2HG1 VAL 41 -0.619 -11.703 5.343 310 HG13 VAL 41 3HG1 VAL 41 -1.493 -10.698 4.188 311 HG21 VAL 41 3HG2 VAL 41 -2.378 -8.031 6.573 312 HG22 VAL 41 1HG2 VAL 41 -3.438 -9.378 6.150 313 HG23 VAL 41 2HG2 VAL 41 -2.499 -8.564 4.896 314 H CYS 42 HN CYS 42 1.180 -9.882 7.993 315 HA CYS 42 HA CYS 42 1.865 -12.655 8.506 316 HG CYS 42 HG CYS 42 3.387 -14.452 6.179 317 HB2 CYS 42 2HB CYS 42 1.949 -12.322 6.008 318 HB3 CYS 42 1HB CYS 42 3.222 -11.136 6.274 319 H ALA 43 HN ALA 43 3.551 -12.841 9.854 320 HA ALA 43 HA ALA 43 4.744 -10.416 10.900 321 HB1 ALA 43 1HB ALA 43 5.137 -13.296 11.712 322 HB2 ALA 43 2HB ALA 43 4.009 -12.155 12.445 323 HB3 ALA 43 3HB ALA 43 5.747 -11.886 12.580 324 H GLY 44 HN GLY 44 5.443 -12.578 8.438 325 HA2 GLY 44 2HA GLY 44 8.328 -11.969 8.596 326 HA3 GLY 44 1HA GLY 44 7.668 -13.412 7.842 327 H VAL 45 HN VAL 45 6.361 -10.174 7.502 328 HA VAL 45 HA VAL 45 6.424 -10.426 4.648 329 HB VAL 45 HB VAL 45 4.503 -9.374 5.656 330 HG11 VAL 45 1HG1 VAL 45 5.512 -8.448 7.654 331 HG12 VAL 45 2HG1 VAL 45 4.647 -7.188 6.774 332 HG13 VAL 45 3HG1 VAL 45 6.407 -7.274 6.686 333 HG21 VAL 45 3HG2 VAL 45 4.400 -7.290 4.355 334 HG22 VAL 45 1HG2 VAL 45 5.086 -8.622 3.426 335 HG23 VAL 45 2HG2 VAL 45 6.143 -7.379 4.096 336 H GLU 46 HN GLU 46 7.924 -9.751 3.310 337 HA GLU 46 HA GLU 46 10.052 -7.974 4.285 338 HB2 GLU 46 2HB GLU 46 9.901 -9.754 1.840 339 HB3 GLU 46 1HB GLU 46 11.265 -8.719 2.238 340 HG2 GLU 46 2HG GLU 46 11.757 -9.992 4.186 341 HG3 GLU 46 1HG GLU 46 10.267 -10.919 4.020 342 H TYR 47 HN TYR 47 10.268 -5.932 3.444 343 HA TYR 47 HA TYR 47 8.824 -5.309 1.001 344 HD1 TYR 47 2HD TYR 47 9.307 -2.127 3.809 345 HD2 TYR 47 1HD TYR 47 7.070 -5.632 4.700 346 HE1 TYR 47 2HE TYR 47 9.584 -1.684 6.210 347 HE2 TYR 47 1HE TYR 47 7.335 -5.196 7.105 348 HH TYR 47 HH TYR 47 8.529 -2.211 8.306 349 HB2 TYR 47 2HB TYR 47 7.860 -3.228 2.113 350 HB3 TYR 47 1HB TYR 47 7.102 -4.769 2.478 351 H ASN 48 HN ASN 48 9.634 -3.748 -0.205 352 HA ASN 48 HA ASN 48 11.768 -2.051 0.926 353 HB2 ASN 48 2HB ASN 48 11.506 -2.867 -1.975 354 HB3 ASN 48 1HB ASN 48 12.743 -1.831 -1.302 355 HD21 ASN 48 1HD2 ASN 48 13.067 -3.495 1.091 356 HD22 ASN 48 2HD2 ASN 48 13.950 -4.891 0.571 357 H VAL 49 HN VAL 49 11.870 0.069 -0.143 358 HA VAL 49 HA VAL 49 9.362 0.994 -1.314 359 HB VAL 49 HB VAL 49 10.480 2.300 1.186 360 HG11 VAL 49 1HG1 VAL 49 9.439 3.883 -0.320 361 HG12 VAL 49 2HG1 VAL 49 8.426 3.651 1.104 362 HG13 VAL 49 3HG1 VAL 49 7.993 2.878 -0.422 363 HG21 VAL 49 3HG2 VAL 49 8.421 1.558 2.313 364 HG22 VAL 49 1HG2 VAL 49 9.426 0.202 1.797 365 HG23 VAL 49 2HG2 VAL 49 7.984 0.630 0.878 366 H SER 50 HN SER 50 9.720 2.634 -2.759 367 HA SER 50 HA SER 50 12.289 3.426 -3.522 368 HG SER 50 HG SER 50 9.831 3.059 -5.340 369 HB2 SER 50 2HB SER 50 10.177 5.441 -3.911 370 HB3 SER 50 1HB SER 50 11.225 4.671 -5.098 371 H GLU 51 HN GLU 51 13.450 5.359 -3.099 372 HA GLU 51 HA GLU 51 13.091 6.226 -0.372 373 HB2 GLU 51 2HB GLU 51 15.215 7.420 -0.662 374 HB3 GLU 51 1HB GLU 51 15.344 5.723 -1.095 375 HG2 GLU 51 2HG GLU 51 15.322 6.265 -3.432 376 HG3 GLU 51 1HG GLU 51 15.012 7.967 -3.070 377 H LEU 52 HN LEU 52 12.814 8.348 0.303 378 HA LEU 52 HA LEU 52 10.982 9.748 -1.416 379 HG LEU 52 HG LEU 52 9.296 9.216 0.260 380 HB2 LEU 52 2HB LEU 52 11.886 10.219 1.421 381 HB3 LEU 52 1HB LEU 52 10.776 11.284 0.585 382 HD11 LEU 52 1HD1 LEU 52 11.083 8.184 2.455 383 HD12 LEU 52 2HD1 LEU 52 10.958 7.528 0.822 384 HD13 LEU 52 3HD1 LEU 52 9.576 7.444 1.915 385 HD21 LEU 52 3HD2 LEU 52 8.758 11.034 1.782 386 HD22 LEU 52 1HD2 LEU 52 9.771 10.305 3.028 387 HD23 LEU 52 2HD2 LEU 52 8.313 9.477 2.482 388 H THR 53 HN THR 53 11.130 11.883 -2.040 389 HA THR 53 HA THR 53 13.847 13.017 -2.068 390 HB THR 53 HB THR 53 12.788 14.231 -4.180 391 HG1 THR 53 1HG THR 53 11.514 11.694 -4.317 392 HG21 THR 53 3HG2 THR 53 13.821 11.394 -4.261 393 HG22 THR 53 1HG2 THR 53 14.813 12.851 -4.205 394 HG23 THR 53 2HG2 THR 53 13.799 12.528 -5.613 395 H GLU 54 HN GLU 54 13.149 15.558 -3.022 396 HA GLU 54 HA GLU 54 12.269 16.746 -0.610 397 HB2 GLU 54 2HB GLU 54 12.688 17.920 -3.352 398 HB3 GLU 54 1HB GLU 54 12.381 18.860 -1.905 399 HG2 GLU 54 2HG GLU 54 14.436 17.806 -0.914 400 HG3 GLU 54 1HG GLU 54 14.768 17.154 -2.520 401 H GLU 55 HN GLU 55 10.749 16.583 -3.847 402 HA GLU 55 HA GLU 55 8.244 17.393 -2.554 403 HB2 GLU 55 2HB GLU 55 7.531 18.170 -4.760 404 HB3 GLU 55 1HB GLU 55 9.005 18.960 -4.229 405 HG2 GLU 55 2HG GLU 55 10.314 17.523 -5.688 406 HG3 GLU 55 1HG GLU 55 8.844 16.691 -6.200 407 H SER 56 HN SER 56 9.325 14.624 -2.727 408 HA SER 56 HA SER 56 7.795 13.162 -4.584 409 HG SER 56 HG SER 56 8.638 12.789 -1.109 410 HB2 SER 56 2HB SER 56 8.117 11.289 -2.801 411 HB3 SER 56 1HB SER 56 9.519 11.911 -3.662 412 H LYS 57 HN LYS 57 5.734 12.916 -4.695 413 HA LYS 57 HA LYS 57 4.094 13.076 -2.245 414 HB2 LYS 57 2HB LYS 57 3.370 13.905 -5.072 415 HB3 LYS 57 1HB LYS 57 2.293 13.975 -3.680 416 HG2 LYS 57 2HG LYS 57 3.376 15.771 -2.752 417 HG3 LYS 57 1HG LYS 57 4.904 15.396 -3.550 418 HD2 LYS 57 2HD LYS 57 3.867 16.055 -5.713 419 HD3 LYS 57 1HD LYS 57 2.428 16.562 -4.822 420 HE2 LYS 57 2HE LYS 57 3.639 18.260 -3.674 421 HE3 LYS 57 1HE LYS 57 5.186 17.630 -4.240 422 HZ1 LYS 57 3HZ LYS 57 4.535 18.227 -6.503 423 HZ2 LYS 57 1HZ LYS 57 4.576 19.581 -5.486 424 HZ3 LYS 57 2HZ LYS 57 3.087 18.894 -5.923 425 H GLU 58 HN GLU 58 5.461 11.038 -4.171 426 HA GLU 58 HA GLU 58 3.331 9.060 -3.979 427 HB2 GLU 58 2HB GLU 58 3.777 8.259 -6.283 428 HB3 GLU 58 1HB GLU 58 3.081 9.869 -6.251 429 HG2 GLU 58 2HG GLU 58 6.043 9.472 -6.467 430 HG3 GLU 58 1HG GLU 58 5.000 9.377 -7.883 431 H LEU 59 HN LEU 59 4.103 6.990 -3.611 432 HA LEU 59 HA LEU 59 6.950 6.478 -3.937 433 HG LEU 59 HG LEU 59 5.223 4.738 -1.129 434 HB2 LEU 59 2HB LEU 59 7.391 5.828 -1.721 435 HB3 LEU 59 1HB LEU 59 6.603 7.384 -1.609 436 HD11 LEU 59 1HD1 LEU 59 5.331 5.346 1.238 437 HD12 LEU 59 2HD1 LEU 59 6.303 6.759 0.830 438 HD13 LEU 59 3HD1 LEU 59 6.939 5.138 0.545 439 HD21 LEU 59 3HD2 LEU 59 3.464 6.103 -0.132 440 HD22 LEU 59 1HD2 LEU 59 3.704 6.523 -1.829 441 HD23 LEU 59 2HD2 LEU 59 4.346 7.570 -0.561 442 H THR 60 HN THR 60 7.485 4.230 -3.893 443 HA THR 60 HA THR 60 5.139 2.514 -4.375 444 HB THR 60 HB THR 60 7.865 2.127 -5.613 445 HG1 THR 60 1HG THR 60 6.515 4.175 -6.113 446 HG21 THR 60 3HG2 THR 60 6.405 0.166 -5.599 447 HG22 THR 60 1HG2 THR 60 6.602 0.782 -7.238 448 HG23 THR 60 2HG2 THR 60 5.114 1.106 -6.349 449 H ALA 61 HN ALA 61 4.885 1.075 -2.817 450 HA ALA 61 HA ALA 61 7.236 0.119 -1.337 451 HB1 ALA 61 1HB ALA 61 5.532 1.107 0.056 452 HB2 ALA 61 2HB ALA 61 5.593 -0.631 0.355 453 HB3 ALA 61 3HB ALA 61 4.304 0.049 -0.639 454 H ARG 62 HN ARG 62 8.031 -1.745 -1.957 455 HA ARG 62 HA ARG 62 6.389 -3.646 -3.453 456 HE ARG 62 HE ARG 62 7.042 -4.075 -6.252 457 HB2 ARG 62 2HB ARG 62 8.504 -3.079 -4.460 458 HB3 ARG 62 1HB ARG 62 9.363 -3.402 -2.965 459 HG2 ARG 62 2HG ARG 62 9.759 -5.172 -4.537 460 HG3 ARG 62 1HG ARG 62 8.810 -5.786 -3.185 461 HD2 ARG 62 2HD ARG 62 7.969 -6.656 -5.288 462 HD3 ARG 62 1HD ARG 62 6.779 -5.605 -4.529 463 HH11 ARG 62 1HH1 ARG 62 9.455 -6.602 -6.555 464 HH12 ARG 62 2HH1 ARG 62 9.734 -6.299 -8.238 465 HH21 ARG 62 1HH2 ARG 62 7.363 -3.698 -8.457 466 HH22 ARG 62 2HH2 ARG 62 8.533 -4.643 -9.336 467 H PHE 63 HN PHE 63 5.392 -5.224 -2.347 468 HA PHE 63 HA PHE 63 6.519 -6.029 0.252 469 HD1 PHE 63 1HD PHE 63 5.083 -5.212 2.504 470 HD2 PHE 63 2HD PHE 63 3.109 -3.938 -1.038 471 HE1 PHE 63 1HE PHE 63 4.630 -3.033 3.548 472 HE2 PHE 63 2HE PHE 63 2.655 -1.750 -0.006 473 HZ PHE 63 HZ PHE 63 3.415 -1.297 2.294 474 HB2 PHE 63 2HB PHE 63 3.672 -6.186 -0.761 475 HB3 PHE 63 1HB PHE 63 4.215 -6.815 0.789 476 H LYS 64 HN LYS 64 7.039 -8.080 0.641 477 HA LYS 64 HA LYS 64 6.008 -10.172 -1.152 478 HB2 LYS 64 2HB LYS 64 8.289 -10.056 -1.762 479 HB3 LYS 64 1HB LYS 64 8.811 -9.824 -0.097 480 HG2 LYS 64 2HG LYS 64 8.296 -12.092 0.452 481 HG3 LYS 64 1HG LYS 64 7.531 -12.349 -1.115 482 HD2 LYS 64 2HD LYS 64 9.625 -12.201 -2.245 483 HD3 LYS 64 1HD LYS 64 10.444 -11.650 -0.781 484 HE2 LYS 64 2HE LYS 64 10.761 -14.088 -1.415 485 HE3 LYS 64 1HE LYS 64 10.252 -13.764 0.243 486 HZ1 LYS 64 3HZ LYS 64 8.450 -14.560 -1.988 487 HZ2 LYS 64 1HZ LYS 64 7.986 -14.288 -0.379 488 HZ3 LYS 64 2HZ LYS 64 9.003 -15.589 -0.750 489 H PHE 65 HN PHE 65 5.111 -11.870 -0.148 490 HA PHE 65 HA PHE 65 5.271 -11.931 2.791 491 HD1 PHE 65 2HD PHE 65 2.789 -10.634 0.015 492 HD2 PHE 65 1HD PHE 65 2.590 -11.382 4.198 493 HE1 PHE 65 2HE PHE 65 1.721 -8.444 0.351 494 HE2 PHE 65 1HE PHE 65 1.522 -9.191 4.542 495 HZ PHE 65 HZ PHE 65 1.086 -7.720 2.616 496 HB2 PHE 65 2HB PHE 65 3.084 -12.885 0.930 497 HB3 PHE 65 1HB PHE 65 3.089 -13.150 2.671 498 H GLU 66 HN GLU 66 4.479 -14.351 3.453 499 HA GLU 66 HA GLU 66 6.741 -15.959 2.660 500 HB2 GLU 66 2HB GLU 66 4.803 -15.915 4.842 501 HB3 GLU 66 1HB GLU 66 5.125 -17.543 4.260 502 HG2 GLU 66 2HG GLU 66 7.325 -15.635 4.981 503 HG3 GLU 66 1HG GLU 66 6.555 -16.691 6.166 504 H VAL 67 HN VAL 67 3.200 -16.331 2.582 505 HA VAL 67 HA VAL 67 3.606 -18.207 0.340 506 HB VAL 67 HB VAL 67 1.467 -19.251 0.875 507 HG11 VAL 67 1HG1 VAL 67 3.484 -20.201 1.839 508 HG12 VAL 67 2HG1 VAL 67 2.129 -20.381 2.953 509 HG13 VAL 67 3HG1 VAL 67 3.343 -19.132 3.236 510 HG21 VAL 67 3HG2 VAL 67 0.325 -18.748 2.996 511 HG22 VAL 67 1HG2 VAL 67 0.307 -17.383 1.880 512 HG23 VAL 67 2HG2 VAL 67 1.424 -17.390 3.245 513 H SER 68 HN SER 68 2.015 -18.162 -1.359 514 HA SER 68 HA SER 68 1.569 -15.596 -2.354 515 HG SER 68 HG SER 68 2.419 -17.936 -4.395 516 HB2 SER 68 2HB SER 68 -0.040 -17.938 -3.300 517 HB3 SER 68 1HB SER 68 0.753 -16.674 -4.243 518 H ALA 69 HN ALA 69 -0.384 -17.620 -0.376 519 HA ALA 69 HA ALA 69 -2.916 -16.505 -0.867 520 HB1 ALA 69 1HB ALA 69 -1.876 -17.796 1.650 521 HB2 ALA 69 2HB ALA 69 -2.624 -18.630 0.288 522 HB3 ALA 69 3HB ALA 69 -3.572 -17.508 1.266 523 H GLU 70 HN GLU 70 -0.424 -15.718 1.534 524 HA GLU 70 HA GLU 70 -1.815 -13.733 2.931 525 HB2 GLU 70 2HB GLU 70 1.148 -14.003 2.405 526 HB3 GLU 70 1HB GLU 70 0.434 -12.968 3.630 527 HG2 GLU 70 2HG GLU 70 -0.426 -14.873 4.811 528 HG3 GLU 70 1HG GLU 70 0.124 -15.956 3.534 529 H LYS 71 HN LYS 71 0.104 -13.631 0.012 530 HA LYS 71 HA LYS 71 0.276 -10.848 -0.339 531 HB2 LYS 71 2HB LYS 71 1.405 -12.867 -1.582 532 HB3 LYS 71 1HB LYS 71 0.014 -12.753 -2.639 533 HG2 LYS 71 2HG LYS 71 1.599 -10.297 -2.079 534 HG3 LYS 71 1HG LYS 71 2.230 -11.496 -3.208 535 HD2 LYS 71 2HD LYS 71 -0.504 -10.235 -3.409 536 HD3 LYS 71 1HD LYS 71 0.917 -9.673 -4.290 537 HE2 LYS 71 2HE LYS 71 1.106 -11.953 -5.285 538 HE3 LYS 71 1HE LYS 71 -0.426 -12.359 -4.514 539 HZ1 LYS 71 3HZ LYS 71 0.001 -10.222 -6.536 540 HZ2 LYS 71 1HZ LYS 71 -1.473 -10.547 -5.754 541 HZ3 LYS 71 2HZ LYS 71 -0.782 -11.702 -6.793 542 H LEU 72 HN LEU 72 -1.943 -13.234 -1.726 543 HA LEU 72 HA LEU 72 -3.643 -11.428 -3.038 544 HG LEU 72 HG LEU 72 -2.485 -14.274 -3.580 545 HB2 LEU 72 2HB LEU 72 -4.292 -14.147 -1.893 546 HB3 LEU 72 1HB LEU 72 -5.286 -13.273 -3.041 547 HD11 LEU 72 1HD1 LEU 72 -3.585 -15.889 -5.053 548 HD12 LEU 72 2HD1 LEU 72 -5.160 -15.309 -4.508 549 HD13 LEU 72 3HD1 LEU 72 -4.070 -16.104 -3.370 550 HD21 LEU 72 3HD2 LEU 72 -2.926 -13.646 -5.884 551 HD22 LEU 72 1HD2 LEU 72 -3.065 -12.240 -4.829 552 HD23 LEU 72 2HD2 LEU 72 -4.518 -13.037 -5.434 553 H ILE 73 HN ILE 73 -3.845 -12.789 0.243 554 HA ILE 73 HA ILE 73 -6.333 -11.685 0.938 555 HB ILE 73 HB ILE 73 -3.976 -12.392 2.686 556 HG12 ILE 73 2HG1 ILE 73 -4.931 -14.293 1.525 557 HG13 ILE 73 1HG1 ILE 73 -5.368 -14.369 3.225 558 HG21 ILE 73 1HG2 ILE 73 -5.336 -10.758 3.854 559 HG22 ILE 73 2HG2 ILE 73 -5.557 -12.355 4.571 560 HG23 ILE 73 3HG2 ILE 73 -6.792 -11.690 3.503 561 HD11 ILE 73 3HD1 ILE 73 -7.589 -13.502 2.688 562 HD12 ILE 73 1HD1 ILE 73 -7.235 -14.993 1.816 563 HD13 ILE 73 2HD1 ILE 73 -7.143 -13.440 0.983 564 H PHE 74 HN PHE 74 -3.050 -10.376 1.207 565 HA PHE 74 HA PHE 74 -3.732 -7.998 2.556 566 HD1 PHE 74 2HD PHE 74 -1.684 -6.959 3.988 567 HD2 PHE 74 1HD PHE 74 -0.887 -6.317 -0.142 568 HE1 PHE 74 2HE PHE 74 -0.868 -4.694 4.499 569 HE2 PHE 74 1HE PHE 74 -0.069 -4.052 0.362 570 HZ PHE 74 HZ PHE 74 -0.059 -3.237 2.685 571 HB2 PHE 74 2HB PHE 74 -1.413 -8.848 2.312 572 HB3 PHE 74 1HB PHE 74 -1.467 -8.450 0.600 573 H GLU 75 HN GLU 75 -3.539 -8.805 -0.880 574 HA GLU 75 HA GLU 75 -4.140 -6.241 -1.881 575 HB2 GLU 75 2HB GLU 75 -4.579 -8.988 -3.056 576 HB3 GLU 75 1HB GLU 75 -4.825 -7.499 -3.953 577 HG2 GLU 75 2HG GLU 75 -2.458 -6.927 -3.593 578 HG3 GLU 75 1HG GLU 75 -2.241 -8.463 -2.756 579 H LEU 76 HN LEU 76 -6.189 -8.952 -0.924 580 HA LEU 76 HA LEU 76 -8.631 -7.878 -1.787 581 HG LEU 76 HG LEU 76 -7.463 -10.648 -2.011 582 HB2 LEU 76 2HB LEU 76 -7.894 -9.918 0.297 583 HB3 LEU 76 1HB LEU 76 -9.538 -9.545 -0.132 584 HD11 LEU 76 1HD1 LEU 76 -9.847 -11.963 -0.720 585 HD12 LEU 76 2HD1 LEU 76 -8.151 -12.279 -0.350 586 HD13 LEU 76 3HD1 LEU 76 -8.798 -12.691 -1.938 587 HD21 LEU 76 3HD2 LEU 76 -10.407 -10.137 -2.421 588 HD22 LEU 76 1HD2 LEU 76 -9.323 -10.921 -3.571 589 HD23 LEU 76 2HD2 LEU 76 -9.086 -9.226 -3.149 590 H LYS 77 HN LYS 77 -6.942 -7.772 1.334 591 HA LYS 77 HA LYS 77 -9.051 -6.419 2.683 592 HB2 LYS 77 2HB LYS 77 -6.158 -6.888 3.350 593 HB3 LYS 77 1HB LYS 77 -7.201 -5.922 4.386 594 HG2 LYS 77 2HG LYS 77 -8.728 -7.852 4.592 595 HG3 LYS 77 1HG LYS 77 -7.597 -8.813 3.639 596 HD2 LYS 77 2HD LYS 77 -5.902 -8.595 5.319 597 HD3 LYS 77 1HD LYS 77 -6.874 -7.430 6.219 598 HE2 LYS 77 2HE LYS 77 -8.562 -9.167 6.621 599 HE3 LYS 77 1HE LYS 77 -7.564 -10.329 5.748 600 HZ1 LYS 77 3HZ LYS 77 -7.349 -10.434 8.198 601 HZ2 LYS 77 1HZ LYS 77 -6.667 -8.880 8.181 602 HZ3 LYS 77 2HZ LYS 77 -5.880 -10.170 7.401 603 H THR 78 HN THR 78 -6.192 -5.311 0.938 604 HA THR 78 HA THR 78 -6.386 -2.614 1.802 605 HB THR 78 HB THR 78 -5.023 -2.140 -0.316 606 HG1 THR 78 1HG THR 78 -4.563 -4.923 -0.361 607 HG21 THR 78 3HG2 THR 78 -4.003 -2.347 1.881 608 HG22 THR 78 1HG2 THR 78 -2.985 -3.107 0.659 609 HG23 THR 78 2HG2 THR 78 -3.977 -4.104 1.724 610 H ARG 79 HN ARG 79 -7.927 -4.452 -0.745 611 HA ARG 79 HA ARG 79 -8.985 -2.381 -2.271 612 HE ARG 79 HE ARG 79 -7.433 -4.007 -5.670 613 HB2 ARG 79 2HB ARG 79 -9.839 -5.188 -1.656 614 HB3 ARG 79 1HB ARG 79 -10.857 -4.145 -2.623 615 HG2 ARG 79 2HG ARG 79 -7.985 -4.695 -3.283 616 HG3 ARG 79 1HG ARG 79 -9.330 -5.655 -3.904 617 HD2 ARG 79 2HD ARG 79 -10.283 -3.686 -4.953 618 HD3 ARG 79 1HD ARG 79 -9.007 -2.679 -4.269 619 HH11 ARG 79 1HH1 ARG 79 -10.830 -3.885 -6.538 620 HH12 ARG 79 2HH1 ARG 79 -10.538 -4.091 -8.233 621 HH21 ARG 79 1HH2 ARG 79 -7.041 -4.270 -7.888 622 HH22 ARG 79 2HH2 ARG 79 -8.369 -4.308 -9.013 623 H SER 80 HN SER 80 -10.218 -3.942 0.662 624 HA SER 80 HA SER 80 -12.626 -2.440 0.711 625 HG SER 80 HG SER 80 -11.903 -5.780 2.034 626 HB2 SER 80 2HB SER 80 -11.332 -3.969 2.968 627 HB3 SER 80 1HB SER 80 -13.038 -3.602 2.760 628 H LEU 81 HN LEU 81 -9.428 -1.817 1.694 629 HA LEU 81 HA LEU 81 -10.169 0.142 3.696 630 HG LEU 81 HG LEU 81 -7.186 1.316 2.949 631 HB2 LEU 81 2HB LEU 81 -8.307 -1.072 4.366 632 HB3 LEU 81 1HB LEU 81 -7.636 -1.133 2.748 633 HD11 LEU 81 1HD1 LEU 81 -7.795 0.806 5.856 634 HD12 LEU 81 2HD1 LEU 81 -8.730 1.826 4.763 635 HD13 LEU 81 3HD1 LEU 81 -7.080 2.277 5.196 636 HD21 LEU 81 3HD2 LEU 81 -5.172 1.002 4.342 637 HD22 LEU 81 1HD2 LEU 81 -5.408 -0.303 3.178 638 HD23 LEU 81 2HD2 LEU 81 -5.814 -0.552 4.876 639 H ALA 82 HN ALA 82 -8.807 -0.077 0.468 640 HA ALA 82 HA ALA 82 -8.616 2.855 0.334 641 HB1 ALA 82 1HB ALA 82 -7.059 2.516 -1.509 642 HB2 ALA 82 2HB ALA 82 -7.309 0.772 -1.412 643 HB3 ALA 82 3HB ALA 82 -6.536 1.628 -0.077 644 H ARG 83 HN ARG 83 -11.080 1.250 -0.005 645 HA ARG 83 HA ARG 83 -11.788 1.227 -2.752 646 HE ARG 83 HE ARG 83 -16.546 1.674 -0.789 647 HB2 ARG 83 2HB ARG 83 -12.951 -0.019 -0.890 648 HB3 ARG 83 1HB ARG 83 -13.661 1.513 -0.399 649 HG2 ARG 83 2HG ARG 83 -14.766 1.704 -2.571 650 HG3 ARG 83 1HG ARG 83 -14.047 0.172 -3.070 651 HD2 ARG 83 2HD ARG 83 -16.303 -0.233 -2.361 652 HD3 ARG 83 1HD ARG 83 -15.204 -0.928 -1.168 653 HH11 ARG 83 1HH1 ARG 83 -15.489 -1.446 0.418 654 HH12 ARG 83 2HH1 ARG 83 -16.125 -1.180 2.019 655 HH21 ARG 83 1HH2 ARG 83 -17.383 2.027 1.288 656 HH22 ARG 83 2HH2 ARG 83 -17.204 0.802 2.521 657 H LEU 84 HN LEU 84 -11.444 3.707 -0.447 658 HA LEU 84 HA LEU 84 -12.854 5.625 -2.178 659 HG LEU 84 HG LEU 84 -13.864 4.422 0.644 660 HB2 LEU 84 2HB LEU 84 -11.968 5.955 0.689 661 HB3 LEU 84 1HB LEU 84 -12.866 7.123 -0.258 662 HD11 LEU 84 1HD1 LEU 84 -15.426 5.718 1.998 663 HD12 LEU 84 2HD1 LEU 84 -14.657 7.211 1.459 664 HD13 LEU 84 3HD1 LEU 84 -13.752 6.057 2.438 665 HD21 LEU 84 3HD2 LEU 84 -15.276 6.567 -0.934 666 HD22 LEU 84 1HD2 LEU 84 -16.005 5.085 -0.318 667 HD23 LEU 84 2HD2 LEU 84 -14.751 5.003 -1.557 668 H GLU 85 HN GLU 85 -10.609 4.865 -3.233 669 HA GLU 85 HA GLU 85 -8.302 6.317 -2.278 670 HB2 GLU 85 2HB GLU 85 -7.152 5.233 -4.150 671 HB3 GLU 85 1HB GLU 85 -8.066 4.064 -3.203 672 HG2 GLU 85 2HG GLU 85 -9.854 4.112 -4.861 673 HG3 GLU 85 1HG GLU 85 -8.943 5.288 -5.807 674 H HIS 86 HN HIS 86 -7.014 7.019 -4.574 675 HA HIS 86 HA HIS 86 -8.720 9.119 -5.747 676 HD1 HIS 86 1HD HIS 86 -5.895 9.665 -2.529 677 HD2 HIS 86 2HD HIS 86 -8.729 11.866 -4.638 678 HE1 HIS 86 1HE HIS 86 -6.936 11.218 -0.849 679 HE2 HIS 86 2HE HIS 86 -8.793 12.372 -2.102 680 HB2 HIS 86 2HB HIS 86 -5.801 9.235 -4.976 681 HB3 HIS 86 1HB HIS 86 -6.567 10.429 -6.014 682 H HIS 87 HN HIS 87 -7.512 6.264 -6.482 683 HA HIS 87 HA HIS 87 -6.775 7.024 -9.226 684 HD1 HIS 87 1HD HIS 87 -3.388 4.927 -10.136 685 HD2 HIS 87 2HD HIS 87 -4.537 8.525 -8.391 686 HE1 HIS 87 1HE HIS 87 -1.801 6.660 -11.041 687 HE2 HIS 87 2HE HIS 87 -2.420 8.803 -9.856 688 HB2 HIS 87 2HB HIS 87 -5.141 5.639 -7.263 689 HB3 HIS 87 1HB HIS 87 -5.381 4.662 -8.707 690 H HIS 88 HN HIS 88 -6.566 4.740 -10.482 691 HA HIS 88 HA HIS 88 -7.453 2.798 -11.235 692 HD1 HIS 88 1HD HIS 88 -7.955 0.004 -7.728 693 HD2 HIS 88 2HD HIS 88 -5.414 2.813 -9.436 694 HE1 HIS 88 1HE HIS 88 -5.637 -0.632 -6.980 695 HE2 HIS 88 2HE HIS 88 -4.156 1.218 -7.844 696 HB2 HIS 88 2HB HIS 88 -8.879 2.722 -8.572 697 HB3 HIS 88 1HB HIS 88 -8.962 1.442 -9.773 698 H HIS 89 HN HIS 89 -10.006 4.514 -9.472 699 HA HIS 89 HA HIS 89 -12.062 5.260 -10.058 700 HD1 HIS 89 1HD HIS 89 -13.891 4.816 -13.783 701 HD2 HIS 89 2HD HIS 89 -12.826 7.913 -11.215 702 HE1 HIS 89 1HE HIS 89 -15.793 6.457 -13.871 703 HE2 HIS 89 2HE HIS 89 -15.209 8.232 -12.178 704 HB2 HIS 89 2HB HIS 89 -10.832 6.049 -12.173 705 HB3 HIS 89 1HB HIS 89 -11.517 4.627 -12.951 706 H HIS 90 HN HIS 90 -11.104 2.395 -11.924 707 HA HIS 90 HA HIS 90 -13.682 1.123 -11.555 708 HD1 HIS 90 1HD HIS 90 -10.420 1.409 -14.453 709 HD2 HIS 90 2HD HIS 90 -14.423 0.265 -14.507 710 HE1 HIS 90 1HE HIS 90 -11.303 2.119 -16.700 711 HE2 HIS 90 2HE HIS 90 -13.677 1.284 -16.770 712 HB2 HIS 90 2HB HIS 90 -11.046 -0.037 -12.508 713 HB3 HIS 90 1HB HIS 90 -12.600 -0.853 -12.562 714 H HIS 91 HN HIS 91 -14.202 -0.270 -9.908 715 HA HIS 91 HA HIS 91 -12.001 -1.080 -8.134 716 HD1 HIS 91 1HD HIS 91 -14.354 2.340 -6.589 717 HD2 HIS 91 2HD HIS 91 -10.928 0.009 -6.237 718 HE1 HIS 91 1HE HIS 91 -12.545 3.899 -5.784 719 HE2 HIS 91 2HE HIS 91 -10.438 2.492 -5.769 720 HB2 HIS 91 2HB HIS 91 -14.700 0.013 -7.410 721 HB3 HIS 91 1HB HIS 91 -13.855 -1.075 -6.310 Start of MODEL 12 1 HA ALA 1 HA ALA 1 4.011 0.106 -10.013 2 H1 ALA 1 1HT ALA 1 1.452 1.566 -9.731 3 H2 ALA 1 2HT ALA 1 2.625 1.374 -8.518 4 H3 ALA 1 3HT ALA 1 1.806 0.019 -9.120 5 HB1 ALA 1 2HB ALA 1 1.914 0.798 -12.070 6 HB2 ALA 1 3HB ALA 1 2.247 -0.810 -11.424 7 HB3 ALA 1 1HB ALA 1 3.463 0.019 -12.394 8 H GLY 2 HN GLY 2 5.478 1.647 -9.562 9 HA2 GLY 2 2HA GLY 2 5.256 4.166 -11.093 10 HA3 GLY 2 1HA GLY 2 5.852 4.125 -9.440 11 H GLU 3 HN GLU 3 7.916 3.440 -9.019 12 HA GLU 3 HA GLU 3 9.579 2.802 -11.359 13 HB2 GLU 3 2HB GLU 3 9.757 5.222 -10.568 14 HB3 GLU 3 1HB GLU 3 10.479 4.575 -9.103 15 HG2 GLU 3 2HG GLU 3 12.276 3.581 -10.418 16 HG3 GLU 3 1HG GLU 3 11.557 4.237 -11.889 17 H ILE 4 HN ILE 4 10.885 1.097 -11.062 18 HA ILE 4 HA ILE 4 11.015 -0.012 -8.336 19 HB ILE 4 HB ILE 4 11.709 -1.680 -10.711 20 HG12 ILE 4 2HG1 ILE 4 8.867 -1.168 -9.790 21 HG13 ILE 4 1HG1 ILE 4 9.552 -0.598 -11.308 22 HG21 ILE 4 1HG2 ILE 4 12.057 -2.559 -8.475 23 HG22 ILE 4 2HG2 ILE 4 10.787 -3.462 -9.300 24 HG23 ILE 4 3HG2 ILE 4 10.365 -2.265 -8.076 25 HD11 ILE 4 3HD1 ILE 4 9.161 -3.474 -10.508 26 HD12 ILE 4 1HD1 ILE 4 9.870 -2.914 -12.024 27 HD13 ILE 4 2HD1 ILE 4 8.182 -2.561 -11.658 28 H GLY 5 HN GLY 5 12.961 -1.030 -7.695 29 HA2 GLY 5 2HA GLY 5 15.415 -1.138 -8.849 30 HA3 GLY 5 1HA GLY 5 15.267 0.545 -8.357 31 H PHE 6 HN PHE 6 14.207 -2.481 -6.924 32 HA PHE 6 HA PHE 6 15.342 -1.554 -4.372 33 HD1 PHE 6 1HD PHE 6 13.633 -0.098 -3.137 34 HD2 PHE 6 2HD PHE 6 11.244 -2.304 -5.884 35 HE1 PHE 6 1HE PHE 6 12.179 1.862 -3.441 36 HE2 PHE 6 2HE PHE 6 9.784 -0.348 -6.190 37 HZ PHE 6 HZ PHE 6 10.253 1.741 -4.970 38 HB2 PHE 6 2HB PHE 6 12.960 -3.370 -4.789 39 HB3 PHE 6 1HB PHE 6 13.529 -2.720 -3.256 40 H ILE 7 HN ILE 7 15.812 -3.336 -2.831 41 HA ILE 7 HA ILE 7 17.710 -5.111 -3.885 42 HB ILE 7 HB ILE 7 16.317 -5.292 -1.208 43 HG12 ILE 7 2HG1 ILE 7 18.895 -3.875 -1.911 44 HG13 ILE 7 1HG1 ILE 7 17.352 -3.066 -1.659 45 HG21 ILE 7 1HG2 ILE 7 18.385 -6.435 -0.496 46 HG22 ILE 7 2HG2 ILE 7 18.959 -6.389 -2.163 47 HG23 ILE 7 3HG2 ILE 7 17.519 -7.320 -1.751 48 HD11 ILE 7 3HD1 ILE 7 17.312 -3.889 0.647 49 HD12 ILE 7 1HD1 ILE 7 18.738 -2.903 0.315 50 HD13 ILE 7 2HD1 ILE 7 18.878 -4.660 0.385 51 H ILE 8 HN ILE 8 14.457 -5.707 -2.581 52 HA ILE 8 HA ILE 8 14.470 -8.490 -3.139 53 HB ILE 8 HB ILE 8 12.133 -6.631 -2.669 54 HG12 ILE 8 2HG1 ILE 8 13.557 -8.525 -0.797 55 HG13 ILE 8 1HG1 ILE 8 13.787 -6.779 -0.823 56 HG21 ILE 8 1HG2 ILE 8 10.859 -8.657 -2.144 57 HG22 ILE 8 2HG2 ILE 8 12.247 -9.646 -2.603 58 HG23 ILE 8 3HG2 ILE 8 11.424 -8.665 -3.816 59 HD11 ILE 8 3HD1 ILE 8 11.219 -8.213 -0.190 60 HD12 ILE 8 1HD1 ILE 8 11.444 -6.464 -0.221 61 HD13 ILE 8 2HD1 ILE 8 12.299 -7.442 0.973 62 H LYS 9 HN LYS 9 13.953 -9.577 -4.908 63 HA LYS 9 HA LYS 9 13.567 -8.154 -7.378 64 HB2 LYS 9 2HB LYS 9 13.713 -10.402 -8.389 65 HB3 LYS 9 1HB LYS 9 15.064 -10.062 -7.320 66 HG2 LYS 9 2HG LYS 9 13.858 -11.338 -5.534 67 HG3 LYS 9 1HG LYS 9 12.687 -11.819 -6.762 68 HD2 LYS 9 2HD LYS 9 14.475 -12.861 -8.064 69 HD3 LYS 9 1HD LYS 9 15.654 -12.360 -6.846 70 HE2 LYS 9 2HE LYS 9 14.396 -13.687 -5.167 71 HE3 LYS 9 1HE LYS 9 13.354 -14.273 -6.462 72 HZ1 LYS 9 3HZ LYS 9 16.279 -14.714 -6.195 73 HZ2 LYS 9 1HZ LYS 9 15.359 -15.181 -7.545 74 HZ3 LYS 9 2HZ LYS 9 15.053 -15.876 -6.030 75 H GLU 10 HN GLU 10 11.944 -9.593 -8.923 76 HA GLU 10 HA GLU 10 9.360 -8.896 -7.916 77 HB2 GLU 10 2HB GLU 10 10.191 -10.226 -10.501 78 HB3 GLU 10 1HB GLU 10 8.610 -9.566 -10.148 79 HG2 GLU 10 2HG GLU 10 9.602 -7.327 -9.926 80 HG3 GLU 10 1HG GLU 10 11.173 -8.010 -10.344 81 H GLY 11 HN GLY 11 7.551 -10.575 -8.543 82 HA2 GLY 11 2HA GLY 11 7.857 -13.287 -8.563 83 HA3 GLY 11 1HA GLY 11 7.956 -12.849 -6.861 84 H ASP 12 HN ASP 12 5.956 -14.494 -7.686 85 HA ASP 12 HA ASP 12 3.588 -12.913 -8.248 86 HB2 ASP 12 2HB ASP 12 3.960 -15.228 -9.194 87 HB3 ASP 12 1HB ASP 12 3.699 -15.855 -7.567 88 H GLU 13 HN GLU 13 5.319 -13.922 -5.524 89 HA GLU 13 HA GLU 13 3.011 -13.598 -3.743 90 HB2 GLU 13 2HB GLU 13 4.419 -14.405 -1.959 91 HB3 GLU 13 1HB GLU 13 4.578 -15.496 -3.325 92 HG2 GLU 13 2HG GLU 13 6.546 -13.313 -2.691 93 HG3 GLU 13 1HG GLU 13 6.702 -14.972 -2.121 94 H VAL 14 HN VAL 14 5.255 -11.789 -5.271 95 HA VAL 14 HA VAL 14 5.641 -9.845 -3.135 96 HB VAL 14 HB VAL 14 6.683 -9.906 -5.974 97 HG11 VAL 14 1HG1 VAL 14 6.421 -7.616 -5.177 98 HG12 VAL 14 2HG1 VAL 14 8.126 -8.051 -5.305 99 HG13 VAL 14 3HG1 VAL 14 7.342 -8.006 -3.725 100 HG21 VAL 14 3HG2 VAL 14 8.096 -10.397 -3.353 101 HG22 VAL 14 1HG2 VAL 14 8.837 -10.403 -4.952 102 HG23 VAL 14 2HG2 VAL 14 7.645 -11.633 -4.529 103 H ALA 15 HN ALA 15 4.303 -8.191 -2.884 104 HA ALA 15 HA ALA 15 2.602 -7.386 -5.150 105 HB1 ALA 15 1HB ALA 15 1.031 -6.512 -3.522 106 HB2 ALA 15 2HB ALA 15 2.127 -6.929 -2.206 107 HB3 ALA 15 3HB ALA 15 1.380 -8.203 -3.168 108 H ASP 16 HN ASP 16 3.325 -5.646 -6.133 109 HA ASP 16 HA ASP 16 4.939 -3.688 -4.720 110 HB2 ASP 16 2HB ASP 16 3.999 -3.592 -7.586 111 HB3 ASP 16 1HB ASP 16 5.311 -2.676 -6.867 112 H VAL 17 HN VAL 17 4.191 -1.832 -3.975 113 HA VAL 17 HA VAL 17 1.466 -1.004 -4.749 114 HB VAL 17 HB VAL 17 2.639 -0.643 -1.993 115 HG11 VAL 17 1HG1 VAL 17 0.936 0.980 -2.580 116 HG12 VAL 17 2HG1 VAL 17 0.328 -0.136 -1.356 117 HG13 VAL 17 3HG1 VAL 17 -0.165 -0.320 -3.038 118 HG21 VAL 17 3HG2 VAL 17 0.705 -2.754 -2.934 119 HG22 VAL 17 1HG2 VAL 17 1.122 -2.436 -1.250 120 HG23 VAL 17 2HG2 VAL 17 2.353 -3.023 -2.369 121 H THR 18 HN THR 18 1.187 1.089 -5.168 122 HA THR 18 HA THR 18 3.444 2.909 -4.679 123 HB THR 18 HB THR 18 1.607 2.923 -7.081 124 HG1 THR 18 1HG THR 18 4.043 1.691 -6.558 125 HG21 THR 18 3HG2 THR 18 3.146 4.600 -7.975 126 HG22 THR 18 1HG2 THR 18 4.103 4.528 -6.495 127 HG23 THR 18 2HG2 THR 18 2.453 5.150 -6.449 128 H ILE 19 HN ILE 19 2.798 4.260 -3.132 129 HA ILE 19 HA ILE 19 -0.035 5.004 -2.975 130 HB ILE 19 HB ILE 19 2.092 5.706 -0.965 131 HG12 ILE 19 2HG1 ILE 19 0.309 3.258 -0.934 132 HG13 ILE 19 1HG1 ILE 19 2.033 3.240 -1.289 133 HG21 ILE 19 1HG2 ILE 19 0.193 5.883 0.570 134 HG22 ILE 19 2HG2 ILE 19 -0.901 5.450 -0.744 135 HG23 ILE 19 3HG2 ILE 19 0.011 6.958 -0.818 136 HD11 ILE 19 3HD1 ILE 19 2.525 4.012 0.953 137 HD12 ILE 19 1HD1 ILE 19 1.547 2.548 1.004 138 HD13 ILE 19 2HD1 ILE 19 0.802 4.115 1.312 139 H PHE 20 HN PHE 20 -0.693 7.079 -3.247 140 HA PHE 20 HA PHE 20 1.344 9.089 -3.806 141 HD1 PHE 20 1HD PHE 20 -2.522 9.725 -5.625 142 HD2 PHE 20 2HD PHE 20 -0.184 6.214 -6.213 143 HE1 PHE 20 1HE PHE 20 -4.541 8.492 -6.307 144 HE2 PHE 20 2HE PHE 20 -2.197 4.979 -6.895 145 HZ PHE 20 HZ PHE 20 -4.379 6.118 -6.943 146 HB2 PHE 20 2HB PHE 20 -0.098 9.829 -5.776 147 HB3 PHE 20 1HB PHE 20 0.863 8.375 -5.992 148 H ALA 21 HN ALA 21 0.875 11.109 -3.246 149 HA ALA 21 HA ALA 21 -1.746 12.099 -2.750 150 HB1 ALA 21 1HB ALA 21 -1.510 10.748 -0.714 151 HB2 ALA 21 2HB ALA 21 -1.534 12.472 -0.342 152 HB3 ALA 21 3HB ALA 21 -0.007 11.590 -0.329 153 H GLU 22 HN GLU 22 -1.481 14.371 -1.651 154 HA GLU 22 HA GLU 22 0.573 15.631 -3.241 155 HB2 GLU 22 2HB GLU 22 -1.688 16.781 -1.622 156 HB3 GLU 22 1HB GLU 22 -0.604 17.720 -2.642 157 HG2 GLU 22 2HG GLU 22 -2.495 15.557 -3.530 158 HG3 GLU 22 1HG GLU 22 -2.657 17.286 -3.815 159 H THR 23 HN THR 23 0.295 14.686 0.010 160 HA THR 23 HA THR 23 2.549 16.462 0.660 161 HB THR 23 HB THR 23 1.872 16.366 3.030 162 HG1 THR 23 1HG THR 23 -0.673 15.609 2.793 163 HG21 THR 23 3HG2 THR 23 -0.313 17.365 1.194 164 HG22 THR 23 1HG2 THR 23 1.126 18.261 1.683 165 HG23 THR 23 2HG2 THR 23 -0.094 17.834 2.881 166 H LYS 24 HN LYS 24 4.305 15.550 1.653 167 HA LYS 24 HA LYS 24 4.804 12.781 1.372 168 HB2 LYS 24 2HB LYS 24 6.572 14.492 1.485 169 HB3 LYS 24 1HB LYS 24 6.157 14.819 3.156 170 HG2 LYS 24 2HG LYS 24 6.829 12.564 3.779 171 HG3 LYS 24 1HG LYS 24 7.228 12.211 2.097 172 HD2 LYS 24 2HD LYS 24 9.221 12.776 3.423 173 HD3 LYS 24 1HD LYS 24 8.948 13.928 2.116 174 HE2 LYS 24 2HE LYS 24 9.562 15.122 4.117 175 HE3 LYS 24 1HE LYS 24 7.875 15.456 3.734 176 HZ1 LYS 24 3HZ LYS 24 7.260 13.741 5.397 177 HZ2 LYS 24 1HZ LYS 24 8.080 15.070 6.065 178 HZ3 LYS 24 2HZ LYS 24 8.896 13.606 5.816 179 H ASP 25 HN ASP 25 3.686 14.771 3.991 180 HA ASP 25 HA ASP 25 3.729 13.008 6.124 181 HB2 ASP 25 2HB ASP 25 3.120 15.408 6.273 182 HB3 ASP 25 1HB ASP 25 1.577 15.047 5.506 183 H ALA 26 HN ALA 26 1.211 13.409 3.627 184 HA ALA 26 HA ALA 26 -0.558 11.464 4.658 185 HB1 ALA 26 1HB ALA 26 -1.244 13.109 2.991 186 HB2 ALA 26 2HB ALA 26 -1.575 11.467 2.435 187 HB3 ALA 26 3HB ALA 26 -0.187 12.352 1.799 188 H LEU 27 HN LEU 27 2.046 11.261 2.265 189 HA LEU 27 HA LEU 27 1.873 8.573 1.590 190 HG LEU 27 HG LEU 27 3.102 8.785 -0.526 191 HB2 LEU 27 2HB LEU 27 4.073 10.575 1.700 192 HB3 LEU 27 1HB LEU 27 4.522 8.899 1.520 193 HD11 LEU 27 1HD1 LEU 27 1.572 10.605 -0.014 194 HD12 LEU 27 2HD1 LEU 27 2.376 10.871 -1.562 195 HD13 LEU 27 3HD1 LEU 27 2.896 11.765 -0.132 196 HD21 LEU 27 3HD2 LEU 27 4.651 10.049 -1.941 197 HD22 LEU 27 1HD2 LEU 27 5.497 9.142 -0.686 198 HD23 LEU 27 2HD2 LEU 27 5.268 10.882 -0.513 199 H GLU 28 HN GLU 28 3.661 10.108 4.239 200 HA GLU 28 HA GLU 28 4.751 7.751 5.321 201 HB2 GLU 28 2HB GLU 28 4.204 10.455 6.547 202 HB3 GLU 28 1HB GLU 28 5.166 9.202 7.304 203 HG2 GLU 28 2HG GLU 28 6.793 9.302 5.540 204 HG3 GLU 28 1HG GLU 28 5.791 10.436 4.638 205 H SER 29 HN SER 29 1.666 9.329 5.761 206 HA SER 29 HA SER 29 0.945 7.865 8.116 207 HG SER 29 HG SER 29 0.821 10.714 7.182 208 HB2 SER 29 2HB SER 29 -0.788 9.422 6.181 209 HB3 SER 29 1HB SER 29 -1.265 8.874 7.785 210 H GLU 30 HN GLU 30 -0.009 7.693 4.682 211 HA GLU 30 HA GLU 30 -1.737 5.490 4.982 212 HB2 GLU 30 2HB GLU 30 -0.671 7.113 2.835 213 HB3 GLU 30 1HB GLU 30 -0.732 5.423 2.377 214 HG2 GLU 30 2HG GLU 30 -2.769 6.446 1.698 215 HG3 GLU 30 1HG GLU 30 -3.123 5.382 3.056 216 H LEU 31 HN LEU 31 1.706 5.740 4.259 217 HA LEU 31 HA LEU 31 2.232 3.114 3.488 218 HG LEU 31 HG LEU 31 4.899 2.548 4.665 219 HB2 LEU 31 2HB LEU 31 3.810 5.090 3.458 220 HB3 LEU 31 1HB LEU 31 4.049 4.836 5.169 221 HD11 LEU 31 1HD1 LEU 31 5.530 1.997 2.384 222 HD12 LEU 31 2HD1 LEU 31 4.803 3.497 1.809 223 HD13 LEU 31 3HD1 LEU 31 3.787 2.238 2.511 224 HD21 LEU 31 3HD2 LEU 31 6.416 4.437 5.026 225 HD22 LEU 31 1HD2 LEU 31 6.369 4.801 3.303 226 HD23 LEU 31 2HD2 LEU 31 7.077 3.285 3.865 227 H ALA 32 HN ALA 32 2.221 4.606 6.684 228 HA ALA 32 HA ALA 32 3.031 2.415 8.202 229 HB1 ALA 32 1HB ALA 32 2.865 4.677 9.103 230 HB2 ALA 32 2HB ALA 32 1.979 3.524 10.102 231 HB3 ALA 32 3HB ALA 32 1.107 4.593 9.005 232 H LYS 33 HN LYS 33 -0.184 3.279 7.021 233 HA LYS 33 HA LYS 33 -1.632 1.320 8.451 234 HB2 LYS 33 2HB LYS 33 -2.150 2.849 5.908 235 HB3 LYS 33 1HB LYS 33 -3.299 1.688 6.538 236 HG2 LYS 33 2HG LYS 33 -2.293 4.052 8.097 237 HG3 LYS 33 1HG LYS 33 -3.774 4.056 7.136 238 HD2 LYS 33 2HD LYS 33 -4.645 2.201 8.490 239 HD3 LYS 33 1HD LYS 33 -3.170 2.224 9.455 240 HE2 LYS 33 2HE LYS 33 -3.661 4.429 10.261 241 HE3 LYS 33 1HE LYS 33 -5.042 4.566 9.173 242 HZ1 LYS 33 3HZ LYS 33 -6.201 2.901 10.379 243 HZ2 LYS 33 1HZ LYS 33 -5.622 4.019 11.512 244 HZ3 LYS 33 2HZ LYS 33 -4.840 2.522 11.316 245 H TYR 34 HN TYR 34 -0.042 1.272 5.300 246 HA TYR 34 HA TYR 34 -0.954 -1.325 4.578 247 HD1 TYR 34 2HD TYR 34 -0.438 2.119 3.207 248 HD2 TYR 34 1HD TYR 34 -0.609 -1.732 1.410 249 HE1 TYR 34 2HE TYR 34 -2.066 2.964 1.569 250 HE2 TYR 34 1HE TYR 34 -2.238 -0.901 -0.232 251 HH TYR 34 HH TYR 34 -3.881 0.923 -0.439 252 HB2 TYR 34 2HB TYR 34 1.319 0.396 3.604 253 HB3 TYR 34 1HB TYR 34 1.083 -1.241 3.002 254 H ILE 35 HN ILE 35 1.925 -0.123 6.247 255 HA ILE 35 HA ILE 35 3.211 -2.629 6.505 256 HB ILE 35 HB ILE 35 3.369 -0.230 8.341 257 HG12 ILE 35 2HG1 ILE 35 5.159 -1.061 6.043 258 HG13 ILE 35 1HG1 ILE 35 3.989 0.255 5.994 259 HG21 ILE 35 1HG2 ILE 35 5.521 -1.170 9.059 260 HG22 ILE 35 2HG2 ILE 35 5.220 -2.595 8.064 261 HG23 ILE 35 3HG2 ILE 35 4.174 -2.243 9.440 262 HD11 ILE 35 3HD1 ILE 35 5.244 1.446 7.703 263 HD12 ILE 35 1HD1 ILE 35 6.263 1.067 6.317 264 HD13 ILE 35 2HD1 ILE 35 6.398 0.115 7.796 265 H GLU 36 HN GLU 36 0.879 -0.904 8.525 266 HA GLU 36 HA GLU 36 0.694 -2.670 10.650 267 HB2 GLU 36 2HB GLU 36 -1.215 -0.758 9.349 268 HB3 GLU 36 1HB GLU 36 -1.734 -1.739 10.693 269 HG2 GLU 36 2HG GLU 36 0.558 0.197 10.729 270 HG3 GLU 36 1HG GLU 36 -1.049 0.492 11.392 271 H LEU 37 HN LEU 37 -1.144 -2.586 7.630 272 HA LEU 37 HA LEU 37 -2.661 -4.911 8.213 273 HG LEU 37 HG LEU 37 -3.659 -2.244 7.219 274 HB2 LEU 37 2HB LEU 37 -2.133 -3.372 5.686 275 HB3 LEU 37 1HB LEU 37 -3.136 -4.807 5.709 276 HD11 LEU 37 1HD1 LEU 37 -4.105 -2.066 4.837 277 HD12 LEU 37 2HD1 LEU 37 -5.611 -2.077 5.754 278 HD13 LEU 37 3HD1 LEU 37 -5.090 -3.527 4.899 279 HD21 LEU 37 3HD2 LEU 37 -4.388 -4.183 8.511 280 HD22 LEU 37 1HD2 LEU 37 -5.271 -4.792 7.114 281 HD23 LEU 37 2HD2 LEU 37 -5.772 -3.287 7.884 282 H ALA 38 HN ALA 38 0.468 -4.380 6.825 283 HA ALA 38 HA ALA 38 0.721 -6.853 5.450 284 HB1 ALA 38 1HB ALA 38 3.114 -6.379 5.417 285 HB2 ALA 38 2HB ALA 38 2.886 -5.094 6.603 286 HB3 ALA 38 3HB ALA 38 2.185 -4.942 4.992 287 H LYS 39 HN LYS 39 1.892 -5.761 8.623 288 HA LYS 39 HA LYS 39 2.879 -8.259 9.489 289 HB2 LYS 39 2HB LYS 39 1.818 -5.939 11.120 290 HB3 LYS 39 1HB LYS 39 2.798 -7.256 11.739 291 HG2 LYS 39 2HG LYS 39 4.686 -6.541 10.457 292 HG3 LYS 39 1HG LYS 39 3.710 -5.336 9.613 293 HD2 LYS 39 2HD LYS 39 4.262 -5.355 12.582 294 HD3 LYS 39 1HD LYS 39 5.107 -4.356 11.398 295 HE2 LYS 39 2HE LYS 39 3.014 -3.258 10.806 296 HE3 LYS 39 1HE LYS 39 2.141 -4.280 11.946 297 HZ1 LYS 39 3HZ LYS 39 4.275 -2.346 12.674 298 HZ2 LYS 39 1HZ LYS 39 3.357 -3.279 13.755 299 HZ3 LYS 39 2HZ LYS 39 2.606 -2.069 12.834 300 H SER 40 HN SER 40 -0.261 -6.808 9.454 301 HA SER 40 HA SER 40 -1.598 -8.412 11.319 302 HG SER 40 HG SER 40 -4.137 -7.627 11.168 303 HB2 SER 40 2HB SER 40 -2.539 -6.326 10.420 304 HB3 SER 40 1HB SER 40 -2.663 -7.057 8.823 305 H VAL 41 HN VAL 41 -0.816 -8.885 7.934 306 HA VAL 41 HA VAL 41 -2.267 -11.394 7.810 307 HB VAL 41 HB VAL 41 -0.400 -10.155 5.776 308 HG11 VAL 41 1HG1 VAL 41 -0.611 -12.554 5.483 309 HG12 VAL 41 2HG1 VAL 41 -1.463 -11.705 4.192 310 HG13 VAL 41 3HG1 VAL 41 -2.368 -12.425 5.524 311 HG21 VAL 41 3HG2 VAL 41 -2.416 -9.458 4.594 312 HG22 VAL 41 1HG2 VAL 41 -2.350 -8.738 6.203 313 HG23 VAL 41 2HG2 VAL 41 -3.416 -10.109 5.892 314 H CYS 42 HN CYS 42 1.134 -10.323 7.588 315 HA CYS 42 HA CYS 42 1.984 -12.915 8.586 316 HG CYS 42 HG CYS 42 2.873 -10.065 6.045 317 HB2 CYS 42 2HB CYS 42 3.704 -13.001 6.758 318 HB3 CYS 42 1HB CYS 42 2.051 -13.270 6.220 319 H ALA 43 HN ALA 43 3.823 -12.839 9.738 320 HA ALA 43 HA ALA 43 4.889 -10.212 10.393 321 HB1 ALA 43 1HB ALA 43 4.356 -11.761 12.210 322 HB2 ALA 43 2HB ALA 43 6.077 -11.374 12.188 323 HB3 ALA 43 3HB ALA 43 5.513 -12.924 11.564 324 H GLY 44 HN GLY 44 5.701 -13.033 8.583 325 HA2 GLY 44 2HA GLY 44 8.517 -12.285 8.364 326 HA3 GLY 44 1HA GLY 44 7.777 -13.746 7.729 327 H VAL 45 HN VAL 45 6.846 -10.361 7.277 328 HA VAL 45 HA VAL 45 7.008 -10.767 4.393 329 HB VAL 45 HB VAL 45 4.890 -9.927 5.230 330 HG11 VAL 45 1HG1 VAL 45 5.618 -8.808 7.248 331 HG12 VAL 45 2HG1 VAL 45 4.686 -7.703 6.239 332 HG13 VAL 45 3HG1 VAL 45 6.444 -7.578 6.292 333 HG21 VAL 45 3HG2 VAL 45 6.400 -7.798 3.723 334 HG22 VAL 45 1HG2 VAL 45 4.646 -7.965 3.797 335 HG23 VAL 45 2HG2 VAL 45 5.619 -9.210 3.014 336 H GLU 46 HN GLU 46 8.709 -10.035 3.310 337 HA GLU 46 HA GLU 46 10.427 -7.997 4.516 338 HB2 GLU 46 2HB GLU 46 10.815 -9.651 2.010 339 HB3 GLU 46 1HB GLU 46 11.997 -8.544 2.694 340 HG2 GLU 46 2HG GLU 46 12.079 -9.943 4.723 341 HG3 GLU 46 1HG GLU 46 10.967 -11.070 3.948 342 H TYR 47 HN TYR 47 10.589 -5.946 3.695 343 HA TYR 47 HA TYR 47 9.315 -5.437 1.124 344 HD1 TYR 47 2HD TYR 47 9.228 -2.016 3.651 345 HD2 TYR 47 1HD TYR 47 7.525 -5.721 4.873 346 HE1 TYR 47 2HE TYR 47 9.353 -1.294 5.997 347 HE2 TYR 47 1HE TYR 47 7.642 -5.005 7.223 348 HH TYR 47 HH TYR 47 8.789 -3.461 8.625 349 HB2 TYR 47 2HB TYR 47 8.052 -3.485 2.055 350 HB3 TYR 47 1HB TYR 47 7.463 -5.060 2.559 351 H ASN 48 HN ASN 48 10.031 -3.744 0.018 352 HA ASN 48 HA ASN 48 12.041 -2.007 1.306 353 HB2 ASN 48 2HB ASN 48 11.924 -2.749 -1.626 354 HB3 ASN 48 1HB ASN 48 13.099 -1.684 -0.879 355 HD21 ASN 48 1HD2 ASN 48 13.287 -3.482 1.498 356 HD22 ASN 48 2HD2 ASN 48 14.261 -4.808 0.967 357 H VAL 49 HN VAL 49 12.148 0.160 0.107 358 HA VAL 49 HA VAL 49 9.716 1.025 -1.140 359 HB VAL 49 HB VAL 49 9.030 0.909 1.248 360 HG11 VAL 49 1HG1 VAL 49 9.948 2.516 2.851 361 HG12 VAL 49 2HG1 VAL 49 11.158 2.999 1.663 362 HG13 VAL 49 3HG1 VAL 49 11.159 1.356 2.305 363 HG21 VAL 49 3HG2 VAL 49 7.958 2.506 -0.243 364 HG22 VAL 49 1HG2 VAL 49 9.195 3.705 0.134 365 HG23 VAL 49 2HG2 VAL 49 8.082 3.160 1.391 366 H SER 50 HN SER 50 9.885 3.175 -1.947 367 HA SER 50 HA SER 50 12.523 4.064 -2.499 368 HG SER 50 HG SER 50 10.564 3.392 -3.991 369 HB2 SER 50 2HB SER 50 10.108 5.832 -2.753 370 HB3 SER 50 1HB SER 50 11.532 5.750 -3.787 371 H GLU 51 HN GLU 51 13.321 6.247 -1.959 372 HA GLU 51 HA GLU 51 12.875 6.746 0.874 373 HB2 GLU 51 2HB GLU 51 14.836 8.266 0.701 374 HB3 GLU 51 1HB GLU 51 15.191 6.607 0.255 375 HG2 GLU 51 2HG GLU 51 14.585 8.729 -1.777 376 HG3 GLU 51 1HG GLU 51 16.210 8.425 -1.168 377 H LEU 52 HN LEU 52 11.897 8.483 1.678 378 HA LEU 52 HA LEU 52 10.204 9.990 -0.008 379 HG LEU 52 HG LEU 52 8.611 9.494 3.331 380 HB2 LEU 52 2HB LEU 52 10.908 10.241 2.907 381 HB3 LEU 52 1HB LEU 52 9.710 11.246 2.124 382 HD11 LEU 52 1HD1 LEU 52 8.508 8.963 0.377 383 HD12 LEU 52 2HD1 LEU 52 7.585 10.184 1.250 384 HD13 LEU 52 3HD1 LEU 52 7.290 8.471 1.551 385 HD21 LEU 52 3HD2 LEU 52 8.894 7.128 2.802 386 HD22 LEU 52 1HD2 LEU 52 10.375 7.845 3.435 387 HD23 LEU 52 2HD2 LEU 52 10.213 7.540 1.707 388 H THR 53 HN THR 53 10.766 11.649 -1.196 389 HA THR 53 HA THR 53 13.099 13.240 -0.488 390 HB THR 53 HB THR 53 12.680 14.362 -2.688 391 HG1 THR 53 1HG THR 53 10.868 13.977 -3.685 392 HG21 THR 53 3HG2 THR 53 13.415 12.467 -4.058 393 HG22 THR 53 1HG2 THR 53 12.936 11.355 -2.777 394 HG23 THR 53 2HG2 THR 53 14.252 12.498 -2.505 395 H GLU 54 HN GLU 54 12.394 15.735 -1.447 396 HA GLU 54 HA GLU 54 10.963 16.662 0.832 397 HB2 GLU 54 2HB GLU 54 11.976 18.171 -1.577 398 HB3 GLU 54 1HB GLU 54 11.416 18.892 -0.079 399 HG2 GLU 54 2HG GLU 54 13.217 17.653 1.110 400 HG3 GLU 54 1HG GLU 54 13.829 17.149 -0.465 401 H GLU 55 HN GLU 55 10.177 16.269 -2.573 402 HA GLU 55 HA GLU 55 7.403 16.936 -1.885 403 HB2 GLU 55 2HB GLU 55 8.973 17.815 -4.295 404 HB3 GLU 55 1HB GLU 55 7.221 17.841 -4.242 405 HG2 GLU 55 2HG GLU 55 7.417 19.281 -2.191 406 HG3 GLU 55 1HG GLU 55 9.139 19.403 -2.554 407 H SER 56 HN SER 56 8.579 14.317 -1.976 408 HA SER 56 HA SER 56 7.835 13.018 -4.377 409 HG SER 56 HG SER 56 7.628 12.413 -0.823 410 HB2 SER 56 2HB SER 56 7.533 11.018 -2.660 411 HB3 SER 56 1HB SER 56 9.127 11.613 -3.102 412 H LYS 57 HN LYS 57 5.884 13.036 -5.217 413 HA LYS 57 HA LYS 57 3.532 13.301 -3.554 414 HB2 LYS 57 2HB LYS 57 3.829 12.978 -6.546 415 HB3 LYS 57 1HB LYS 57 2.300 13.229 -5.718 416 HG2 LYS 57 2HG LYS 57 4.618 15.146 -5.789 417 HG3 LYS 57 1HG LYS 57 3.106 15.295 -6.686 418 HD2 LYS 57 2HD LYS 57 1.888 15.376 -4.525 419 HD3 LYS 57 1HD LYS 57 3.443 15.356 -3.688 420 HE2 LYS 57 2HE LYS 57 2.669 17.626 -3.831 421 HE3 LYS 57 1HE LYS 57 4.061 17.433 -4.894 422 HZ1 LYS 57 3HZ LYS 57 2.522 17.200 -6.769 423 HZ2 LYS 57 1HZ LYS 57 2.345 18.697 -5.991 424 HZ3 LYS 57 2HZ LYS 57 1.206 17.466 -5.727 425 H GLU 58 HN GLU 58 5.416 10.810 -4.954 426 HA GLU 58 HA GLU 58 3.514 8.846 -3.970 427 HB2 GLU 58 2HB GLU 58 4.499 7.880 -6.502 428 HB3 GLU 58 1HB GLU 58 2.848 7.981 -5.920 429 HG2 GLU 58 2HG GLU 58 2.758 9.245 -7.826 430 HG3 GLU 58 1HG GLU 58 3.035 10.477 -6.599 431 H LEU 59 HN LEU 59 4.431 6.922 -3.379 432 HA LEU 59 HA LEU 59 7.301 6.597 -3.872 433 HG LEU 59 HG LEU 59 5.760 4.693 -1.062 434 HB2 LEU 59 2HB LEU 59 7.795 6.017 -1.649 435 HB3 LEU 59 1HB LEU 59 6.840 7.475 -1.545 436 HD11 LEU 59 1HD1 LEU 59 5.772 5.324 1.310 437 HD12 LEU 59 2HD1 LEU 59 6.608 6.821 0.896 438 HD13 LEU 59 3HD1 LEU 59 7.396 5.267 0.626 439 HD21 LEU 59 3HD2 LEU 59 3.861 5.875 -0.046 440 HD22 LEU 59 1HD2 LEU 59 4.031 6.245 -1.762 441 HD23 LEU 59 2HD2 LEU 59 4.560 7.413 -0.555 442 H THR 60 HN THR 60 8.003 4.469 -4.009 443 HA THR 60 HA THR 60 5.819 2.572 -4.532 444 HB THR 60 HB THR 60 8.650 2.470 -5.598 445 HG1 THR 60 1HG THR 60 6.786 4.164 -6.266 446 HG21 THR 60 3HG2 THR 60 7.723 0.857 -7.193 447 HG22 THR 60 1HG2 THR 60 6.141 0.998 -6.422 448 HG23 THR 60 2HG2 THR 60 7.496 0.300 -5.536 449 H ALA 61 HN ALA 61 5.602 0.903 -3.229 450 HA ALA 61 HA ALA 61 7.913 0.053 -1.608 451 HB1 ALA 61 1HB ALA 61 6.370 -0.550 0.167 452 HB2 ALA 61 2HB ALA 61 5.002 -0.035 -0.819 453 HB3 ALA 61 3HB ALA 61 6.176 1.152 -0.253 454 H ARG 62 HN ARG 62 8.350 -2.092 -1.536 455 HA ARG 62 HA ARG 62 6.619 -3.833 -3.167 456 HE ARG 62 HE ARG 62 8.394 -5.193 -6.108 457 HB2 ARG 62 2HB ARG 62 8.610 -3.594 -4.398 458 HB3 ARG 62 1HB ARG 62 9.618 -3.670 -2.960 459 HG2 ARG 62 2HG ARG 62 9.332 -5.998 -2.764 460 HG3 ARG 62 1HG ARG 62 8.000 -6.007 -3.919 461 HD2 ARG 62 2HD ARG 62 10.800 -5.189 -4.649 462 HD3 ARG 62 1HD ARG 62 10.220 -6.851 -4.774 463 HH11 ARG 62 1HH1 ARG 62 11.736 -6.228 -6.444 464 HH12 ARG 62 2HH1 ARG 62 11.708 -6.163 -8.182 465 HH21 ARG 62 1HH2 ARG 62 8.343 -5.125 -8.349 466 HH22 ARG 62 2HH2 ARG 62 9.756 -5.538 -9.276 467 H PHE 63 HN PHE 63 5.587 -5.267 -1.985 468 HA PHE 63 HA PHE 63 6.767 -6.105 0.574 469 HD1 PHE 63 1HD PHE 63 3.903 -3.698 -0.687 470 HD2 PHE 63 2HD PHE 63 4.987 -5.486 3.018 471 HE1 PHE 63 1HE PHE 63 3.605 -1.532 0.438 472 HE2 PHE 63 2HE PHE 63 4.693 -3.322 4.153 473 HZ PHE 63 HZ PHE 63 4.000 -1.342 2.864 474 HB2 PHE 63 2HB PHE 63 3.900 -6.120 -0.386 475 HB3 PHE 63 1HB PHE 63 4.427 -6.841 1.128 476 H LYS 64 HN LYS 64 7.771 -7.957 0.503 477 HA LYS 64 HA LYS 64 6.908 -10.059 -1.332 478 HB2 LYS 64 2HB LYS 64 9.279 -9.614 -1.322 479 HB3 LYS 64 1HB LYS 64 9.346 -9.748 0.428 480 HG2 LYS 64 2HG LYS 64 8.581 -12.156 0.105 481 HG3 LYS 64 1HG LYS 64 8.983 -11.922 -1.598 482 HD2 LYS 64 2HD LYS 64 11.265 -11.458 -1.066 483 HD3 LYS 64 1HD LYS 64 10.905 -11.399 0.662 484 HE2 LYS 64 2HE LYS 64 10.211 -13.798 0.505 485 HE3 LYS 64 1HE LYS 64 10.819 -13.804 -1.150 486 HZ1 LYS 64 3HZ LYS 64 13.009 -13.323 -0.352 487 HZ2 LYS 64 1HZ LYS 64 12.416 -14.665 0.491 488 HZ3 LYS 64 2HZ LYS 64 12.457 -13.139 1.239 489 H PHE 65 HN PHE 65 5.269 -11.223 -0.537 490 HA PHE 65 HA PHE 65 5.049 -11.698 2.326 491 HD1 PHE 65 1HD PHE 65 3.203 -10.221 -0.896 492 HD2 PHE 65 2HD PHE 65 2.239 -10.942 3.181 493 HE1 PHE 65 1HE PHE 65 2.228 -7.972 -0.732 494 HE2 PHE 65 2HE PHE 65 1.262 -8.694 3.353 495 HZ PHE 65 HZ PHE 65 1.255 -7.206 1.392 496 HB2 PHE 65 2HB PHE 65 3.226 -12.467 0.033 497 HB3 PHE 65 1HB PHE 65 2.875 -12.742 1.737 498 H GLU 66 HN GLU 66 4.378 -13.992 2.976 499 HA GLU 66 HA GLU 66 6.482 -15.757 2.470 500 HB2 GLU 66 2HB GLU 66 3.717 -16.488 3.452 501 HB3 GLU 66 1HB GLU 66 5.214 -17.353 3.755 502 HG2 GLU 66 2HG GLU 66 6.044 -15.477 5.073 503 HG3 GLU 66 1HG GLU 66 4.550 -14.595 4.755 504 H VAL 67 HN VAL 67 3.085 -16.007 1.471 505 HA VAL 67 HA VAL 67 3.955 -17.241 -1.044 506 HB VAL 67 HB VAL 67 1.962 -18.725 -0.988 507 HG11 VAL 67 1HG1 VAL 67 2.865 -20.351 0.622 508 HG12 VAL 67 2HG1 VAL 67 3.907 -19.092 1.287 509 HG13 VAL 67 3HG1 VAL 67 4.123 -19.628 -0.381 510 HG21 VAL 67 3HG2 VAL 67 0.825 -19.125 1.147 511 HG22 VAL 67 1HG2 VAL 67 0.589 -17.474 0.574 512 HG23 VAL 67 2HG2 VAL 67 1.738 -17.802 1.872 513 H SER 68 HN SER 68 1.975 -17.270 -2.614 514 HA SER 68 HA SER 68 1.271 -14.550 -2.982 515 HG SER 68 HG SER 68 -0.456 -17.619 -4.403 516 HB2 SER 68 2HB SER 68 -0.123 -15.543 -4.898 517 HB3 SER 68 1HB SER 68 1.621 -15.801 -4.949 518 H ALA 69 HN ALA 69 -0.256 -17.157 -1.394 519 HA ALA 69 HA ALA 69 -2.948 -16.301 -1.552 520 HB1 ALA 69 1HB ALA 69 -3.353 -17.837 0.300 521 HB2 ALA 69 2HB ALA 69 -1.616 -17.980 0.573 522 HB3 ALA 69 3HB ALA 69 -2.327 -18.585 -0.924 523 H GLU 70 HN GLU 70 -0.423 -15.817 0.889 524 HA GLU 70 HA GLU 70 -1.903 -14.270 2.696 525 HB2 GLU 70 2HB GLU 70 1.055 -14.017 2.113 526 HB3 GLU 70 1HB GLU 70 0.233 -13.603 3.607 527 HG2 GLU 70 2HG GLU 70 0.547 -16.370 2.475 528 HG3 GLU 70 1HG GLU 70 1.466 -15.685 3.812 529 H LYS 71 HN LYS 71 -0.051 -13.460 -0.155 530 HA LYS 71 HA LYS 71 -0.055 -10.675 -0.061 531 HB2 LYS 71 2HB LYS 71 1.136 -12.159 -1.707 532 HB3 LYS 71 1HB LYS 71 -0.394 -12.382 -2.522 533 HG2 LYS 71 2HG LYS 71 -0.473 -9.850 -2.736 534 HG3 LYS 71 1HG LYS 71 1.229 -9.876 -2.277 535 HD2 LYS 71 2HD LYS 71 0.931 -9.839 -4.711 536 HD3 LYS 71 1HD LYS 71 1.738 -11.313 -4.167 537 HE2 LYS 71 2HE LYS 71 -0.332 -12.553 -4.347 538 HE3 LYS 71 1HE LYS 71 -1.211 -11.083 -4.764 539 HZ1 LYS 71 3HZ LYS 71 -0.097 -10.941 -6.817 540 HZ2 LYS 71 1HZ LYS 71 -0.607 -12.552 -6.671 541 HZ3 LYS 71 2HZ LYS 71 1.014 -12.154 -6.394 542 H LEU 72 HN LEU 72 -2.240 -12.830 -1.790 543 HA LEU 72 HA LEU 72 -4.047 -10.987 -2.761 544 HG LEU 72 HG LEU 72 -2.919 -13.775 -3.597 545 HB2 LEU 72 2HB LEU 72 -4.622 -13.798 -1.827 546 HB3 LEU 72 1HB LEU 72 -5.688 -12.840 -2.835 547 HD11 LEU 72 1HD1 LEU 72 -5.629 -14.663 -4.573 548 HD12 LEU 72 2HD1 LEU 72 -4.564 -15.581 -3.510 549 HD13 LEU 72 3HD1 LEU 72 -4.068 -15.231 -5.165 550 HD21 LEU 72 3HD2 LEU 72 -4.991 -12.283 -5.203 551 HD22 LEU 72 1HD2 LEU 72 -3.461 -12.910 -5.813 552 HD23 LEU 72 2HD2 LEU 72 -3.468 -11.624 -4.607 553 H ILE 73 HN ILE 73 -4.120 -12.614 0.393 554 HA ILE 73 HA ILE 73 -6.569 -11.550 1.284 555 HB ILE 73 HB ILE 73 -4.151 -12.290 2.952 556 HG12 ILE 73 2HG1 ILE 73 -6.569 -13.959 2.221 557 HG13 ILE 73 1HG1 ILE 73 -4.997 -14.096 1.443 558 HG21 ILE 73 1HG2 ILE 73 -5.730 -10.947 4.210 559 HG22 ILE 73 2HG2 ILE 73 -5.790 -12.620 4.761 560 HG23 ILE 73 3HG2 ILE 73 -7.058 -11.992 3.709 561 HD11 ILE 73 3HD1 ILE 73 -5.326 -15.833 3.106 562 HD12 ILE 73 1HD1 ILE 73 -5.569 -14.610 4.352 563 HD13 ILE 73 2HD1 ILE 73 -4.000 -14.761 3.559 564 H PHE 74 HN PHE 74 -3.240 -10.393 1.719 565 HA PHE 74 HA PHE 74 -3.790 -8.053 3.145 566 HD1 PHE 74 1HD PHE 74 -1.468 -6.759 4.292 567 HD2 PHE 74 2HD PHE 74 -1.140 -6.673 0.050 568 HE1 PHE 74 1HE PHE 74 -0.516 -4.493 4.412 569 HE2 PHE 74 2HE PHE 74 -0.187 -4.408 0.164 570 HZ PHE 74 HZ PHE 74 0.126 -3.316 2.349 571 HB2 PHE 74 2HB PHE 74 -1.526 -8.827 2.915 572 HB3 PHE 74 1HB PHE 74 -1.601 -8.706 1.162 573 H GLU 75 HN GLU 75 -3.605 -8.600 -0.361 574 HA GLU 75 HA GLU 75 -4.115 -5.949 -1.142 575 HB2 GLU 75 2HB GLU 75 -4.669 -8.548 -2.580 576 HB3 GLU 75 1HB GLU 75 -4.834 -6.964 -3.322 577 HG2 GLU 75 2HG GLU 75 -2.416 -6.571 -2.761 578 HG3 GLU 75 1HG GLU 75 -2.329 -8.273 -2.312 579 H LEU 76 HN LEU 76 -6.289 -8.622 -0.406 580 HA LEU 76 HA LEU 76 -8.674 -7.363 -1.167 581 HG LEU 76 HG LEU 76 -7.831 -10.093 -1.711 582 HB2 LEU 76 2HB LEU 76 -7.980 -9.591 0.721 583 HB3 LEU 76 1HB LEU 76 -9.621 -9.069 0.480 584 HD11 LEU 76 1HD1 LEU 76 -9.169 -12.126 -1.609 585 HD12 LEU 76 2HD1 LEU 76 -10.054 -11.481 -0.228 586 HD13 LEU 76 3HD1 LEU 76 -8.333 -11.837 -0.083 587 HD21 LEU 76 3HD2 LEU 76 -10.799 -9.558 -1.671 588 HD22 LEU 76 1HD2 LEU 76 -9.873 -10.201 -3.027 589 HD23 LEU 76 2HD2 LEU 76 -9.589 -8.552 -2.467 590 H LYS 77 HN LYS 77 -6.924 -7.492 1.924 591 HA LYS 77 HA LYS 77 -8.995 -6.134 3.346 592 HB2 LYS 77 2HB LYS 77 -6.104 -6.559 4.115 593 HB3 LYS 77 1HB LYS 77 -7.366 -5.985 5.192 594 HG2 LYS 77 2HG LYS 77 -8.577 -8.178 4.551 595 HG3 LYS 77 1HG LYS 77 -6.980 -8.702 4.018 596 HD2 LYS 77 2HD LYS 77 -7.738 -7.771 6.786 597 HD3 LYS 77 1HD LYS 77 -7.392 -9.429 6.297 598 HE2 LYS 77 2HE LYS 77 -5.089 -8.724 5.712 599 HE3 LYS 77 1HE LYS 77 -5.460 -7.114 6.329 600 HZ1 LYS 77 3HZ LYS 77 -6.042 -8.260 8.484 601 HZ2 LYS 77 1HZ LYS 77 -4.397 -8.258 8.073 602 HZ3 LYS 77 2HZ LYS 77 -5.321 -9.656 7.844 603 H THR 78 HN THR 78 -6.095 -5.086 1.660 604 HA THR 78 HA THR 78 -6.044 -2.467 2.755 605 HB THR 78 HB THR 78 -4.633 -1.972 0.663 606 HG1 THR 78 1HG THR 78 -4.397 -4.768 0.444 607 HG21 THR 78 3HG2 THR 78 -2.702 -3.149 1.595 608 HG22 THR 78 1HG2 THR 78 -3.780 -4.167 2.552 609 HG23 THR 78 2HG2 THR 78 -3.685 -2.436 2.876 610 H ARG 79 HN ARG 79 -7.848 -3.926 0.166 611 HA ARG 79 HA ARG 79 -8.550 -1.672 -1.304 612 HE ARG 79 HE ARG 79 -7.716 -5.636 -4.151 613 HB2 ARG 79 2HB ARG 79 -10.030 -4.237 -0.727 614 HB3 ARG 79 1HB ARG 79 -10.578 -3.044 -1.882 615 HG2 ARG 79 2HG ARG 79 -8.615 -3.345 -3.221 616 HG3 ARG 79 1HG ARG 79 -7.922 -4.429 -2.015 617 HD2 ARG 79 2HD ARG 79 -9.819 -5.973 -2.380 618 HD3 ARG 79 1HD ARG 79 -10.406 -4.907 -3.655 619 HH11 ARG 79 1HH1 ARG 79 -10.955 -6.982 -4.159 620 HH12 ARG 79 2HH1 ARG 79 -10.624 -8.112 -5.449 621 HH21 ARG 79 1HH2 ARG 79 -7.255 -7.147 -5.816 622 HH22 ARG 79 2HH2 ARG 79 -8.516 -8.196 -6.389 623 H SER 80 HN SER 80 -10.068 -3.115 1.564 624 HA SER 80 HA SER 80 -12.202 -1.283 1.720 625 HG SER 80 HG SER 80 -12.212 -3.960 1.881 626 HB2 SER 80 2HB SER 80 -10.940 -3.134 3.739 627 HB3 SER 80 1HB SER 80 -12.364 -2.167 4.079 628 H LEU 81 HN LEU 81 -8.912 -0.892 2.363 629 HA LEU 81 HA LEU 81 -9.318 1.177 4.371 630 HG LEU 81 HG LEU 81 -6.323 2.038 3.344 631 HB2 LEU 81 2HB LEU 81 -7.532 -0.154 4.990 632 HB3 LEU 81 1HB LEU 81 -6.997 -0.387 3.337 633 HD11 LEU 81 1HD1 LEU 81 -7.590 2.801 5.258 634 HD12 LEU 81 2HD1 LEU 81 -5.867 3.032 5.564 635 HD13 LEU 81 3HD1 LEU 81 -6.724 1.685 6.313 636 HD21 LEU 81 3HD2 LEU 81 -4.699 0.245 3.478 637 HD22 LEU 81 1HD2 LEU 81 -4.923 0.141 5.224 638 HD23 LEU 81 2HD2 LEU 81 -4.208 1.588 4.511 639 H ALA 82 HN ALA 82 -8.285 0.707 1.054 640 HA ALA 82 HA ALA 82 -7.509 3.519 0.814 641 HB1 ALA 82 1HB ALA 82 -7.107 1.229 -1.104 642 HB2 ALA 82 2HB ALA 82 -5.920 1.824 0.057 643 HB3 ALA 82 3HB ALA 82 -6.447 2.855 -1.273 644 H ARG 83 HN ARG 83 -10.314 2.792 0.962 645 HA ARG 83 HA ARG 83 -12.276 3.513 0.099 646 HE ARG 83 HE ARG 83 -13.297 7.444 -1.166 647 HB2 ARG 83 2HB ARG 83 -11.262 5.547 -0.590 648 HB3 ARG 83 1HB ARG 83 -10.445 4.761 -1.928 649 HG2 ARG 83 2HG ARG 83 -12.234 6.072 -2.801 650 HG3 ARG 83 1HG ARG 83 -12.665 4.371 -2.977 651 HD2 ARG 83 2HD ARG 83 -14.606 5.455 -2.195 652 HD3 ARG 83 1HD ARG 83 -13.936 4.601 -0.807 653 HH11 ARG 83 1HH1 ARG 83 -14.838 4.887 0.672 654 HH12 ARG 83 2HH1 ARG 83 -15.318 5.934 1.976 655 HH21 ARG 83 1HH2 ARG 83 -13.940 8.830 0.542 656 HH22 ARG 83 2HH2 ARG 83 -14.804 8.177 1.905 657 H LEU 84 HN LEU 84 -13.805 2.432 -0.912 658 HA LEU 84 HA LEU 84 -13.003 0.398 -2.869 659 HG LEU 84 HG LEU 84 -13.384 -0.295 -0.011 660 HB2 LEU 84 2HB LEU 84 -15.419 0.658 -1.102 661 HB3 LEU 84 1HB LEU 84 -15.279 -0.565 -2.346 662 HD11 LEU 84 1HD1 LEU 84 -14.511 -2.219 0.933 663 HD12 LEU 84 2HD1 LEU 84 -15.643 -2.251 -0.419 664 HD13 LEU 84 3HD1 LEU 84 -15.657 -0.896 0.710 665 HD21 LEU 84 3HD2 LEU 84 -12.652 -2.532 -0.697 666 HD22 LEU 84 1HD2 LEU 84 -12.387 -1.341 -1.971 667 HD23 LEU 84 2HD2 LEU 84 -13.744 -2.462 -2.081 668 H GLU 85 HN GLU 85 -12.964 2.485 -4.262 669 HA GLU 85 HA GLU 85 -15.511 3.319 -5.288 670 HB2 GLU 85 2HB GLU 85 -14.196 4.455 -7.058 671 HB3 GLU 85 1HB GLU 85 -13.681 4.881 -5.437 672 HG2 GLU 85 2HG GLU 85 -11.723 3.583 -5.604 673 HG3 GLU 85 1HG GLU 85 -12.303 2.761 -7.054 674 H HIS 86 HN HIS 86 -15.956 3.126 -7.670 675 HA HIS 86 HA HIS 86 -15.824 0.315 -8.402 676 HD1 HIS 86 1HD HIS 86 -17.808 1.749 -12.147 677 HD2 HIS 86 2HD HIS 86 -17.888 -1.272 -9.281 678 HE1 HIS 86 1HE HIS 86 -18.634 -0.308 -13.343 679 HE2 HIS 86 2HE HIS 86 -18.844 -2.068 -11.552 680 HB2 HIS 86 2HB HIS 86 -17.923 1.717 -8.622 681 HB3 HIS 86 1HB HIS 86 -17.130 2.579 -9.936 682 H HIS 87 HN HIS 87 -13.381 0.785 -8.481 683 HA HIS 87 HA HIS 87 -12.383 2.245 -10.754 684 HD1 HIS 87 1HD HIS 87 -10.265 4.079 -9.450 685 HD2 HIS 87 2HD HIS 87 -8.642 0.524 -10.888 686 HE1 HIS 87 1HE HIS 87 -8.150 4.733 -10.653 687 HE2 HIS 87 2HE HIS 87 -7.061 2.543 -11.281 688 HB2 HIS 87 2HB HIS 87 -11.287 1.921 -8.415 689 HB3 HIS 87 1HB HIS 87 -10.742 0.377 -9.057 690 H HIS 88 HN HIS 88 -13.974 0.571 -11.930 691 HA HIS 88 HA HIS 88 -12.183 -1.422 -13.147 692 HD1 HIS 88 1HD HIS 88 -15.800 -3.458 -14.506 693 HD2 HIS 88 2HD HIS 88 -12.010 -4.270 -12.997 694 HE1 HIS 88 1HE HIS 88 -15.056 -5.575 -15.645 695 HE2 HIS 88 2HE HIS 88 -12.700 -5.960 -14.827 696 HB2 HIS 88 2HB HIS 88 -13.926 -2.458 -11.607 697 HB3 HIS 88 1HB HIS 88 -15.148 -1.867 -12.725 698 H HIS 89 HN HIS 89 -12.723 1.272 -13.914 699 HA HIS 89 HA HIS 89 -13.747 0.760 -16.589 700 HD1 HIS 89 1HD HIS 89 -14.710 5.072 -16.293 701 HD2 HIS 89 2HD HIS 89 -14.649 2.913 -12.743 702 HE1 HIS 89 1HE HIS 89 -14.464 6.784 -14.464 703 HE2 HIS 89 2HE HIS 89 -14.212 5.430 -12.350 704 HB2 HIS 89 2HB HIS 89 -15.214 2.655 -16.646 705 HB3 HIS 89 1HB HIS 89 -15.643 1.716 -15.223 706 H HIS 90 HN HIS 90 -12.673 1.859 -18.149 707 HA HIS 90 HA HIS 90 -10.962 4.103 -17.440 708 HD1 HIS 90 1HD HIS 90 -7.693 3.650 -16.562 709 HD2 HIS 90 2HD HIS 90 -8.540 3.383 -20.629 710 HE1 HIS 90 1HE HIS 90 -5.861 4.918 -17.725 711 HE2 HIS 90 2HE HIS 90 -6.442 4.833 -20.178 712 HB2 HIS 90 2HB HIS 90 -9.570 2.059 -17.061 713 HB3 HIS 90 1HB HIS 90 -9.832 1.608 -18.742 714 H HIS 91 HN HIS 91 -11.348 5.592 -18.954 715 HA HIS 91 HA HIS 91 -12.298 4.793 -21.583 716 HD1 HIS 91 1HD HIS 91 -13.675 7.436 -18.546 717 HD2 HIS 91 2HD HIS 91 -14.981 6.051 -22.236 718 HE1 HIS 91 1HE HIS 91 -16.160 7.150 -18.316 719 HE2 HIS 91 2HE HIS 91 -16.952 6.550 -20.634 720 HB2 HIS 91 2HB HIS 91 -11.877 7.497 -20.296 721 HB3 HIS 91 1HB HIS 91 -12.387 7.298 -21.968 Start of MODEL 13 1 HA ALA 1 HA ALA 1 8.737 5.303 -17.497 2 H1 ALA 1 1HT ALA 1 9.727 5.861 -19.581 3 H2 ALA 1 2HT ALA 1 9.330 4.349 -20.234 4 H3 ALA 1 3HT ALA 1 10.460 4.460 -18.969 5 HB1 ALA 1 2HB ALA 1 6.403 5.167 -18.194 6 HB2 ALA 1 3HB ALA 1 6.902 4.658 -19.806 7 HB3 ALA 1 1HB ALA 1 7.302 6.276 -19.230 8 H GLY 2 HN GLY 2 6.888 3.726 -16.669 9 HA2 GLY 2 2HA GLY 2 6.244 1.363 -16.596 10 HA3 GLY 2 1HA GLY 2 7.892 0.973 -17.081 11 H GLU 3 HN GLU 3 7.011 -0.293 -14.899 12 HA GLU 3 HA GLU 3 7.630 1.238 -12.544 13 HB2 GLU 3 2HB GLU 3 6.543 -1.508 -13.076 14 HB3 GLU 3 1HB GLU 3 6.999 -0.985 -11.476 15 HG2 GLU 3 2HG GLU 3 5.439 0.935 -11.721 16 HG3 GLU 3 1HG GLU 3 4.910 0.224 -13.242 17 H ILE 4 HN ILE 4 9.254 0.752 -11.104 18 HA ILE 4 HA ILE 4 11.622 -0.371 -12.350 19 HB ILE 4 HB ILE 4 11.518 0.723 -9.547 20 HG12 ILE 4 2HG1 ILE 4 12.432 2.843 -10.943 21 HG13 ILE 4 1HG1 ILE 4 11.304 2.190 -12.121 22 HG21 ILE 4 1HG2 ILE 4 13.560 -0.411 -10.210 23 HG22 ILE 4 2HG2 ILE 4 13.851 1.316 -10.007 24 HG23 ILE 4 3HG2 ILE 4 13.698 0.633 -11.626 25 HD11 ILE 4 3HD1 ILE 4 10.298 3.936 -10.742 26 HD12 ILE 4 1HD1 ILE 4 10.619 2.976 -9.298 27 HD13 ILE 4 2HD1 ILE 4 9.491 2.387 -10.517 28 H GLY 5 HN GLY 5 13.005 -1.892 -11.118 29 HA2 GLY 5 2HA GLY 5 11.335 -4.093 -10.231 30 HA3 GLY 5 1HA GLY 5 13.051 -4.167 -10.595 31 H PHE 6 HN PHE 6 13.424 -1.762 -8.792 32 HA PHE 6 HA PHE 6 14.185 -1.357 -6.730 33 HD1 PHE 6 2HD PHE 6 10.639 -1.385 -7.778 34 HD2 PHE 6 1HD PHE 6 12.614 -0.120 -4.226 35 HE1 PHE 6 2HE PHE 6 9.471 0.780 -7.901 36 HE2 PHE 6 1HE PHE 6 11.449 2.044 -4.342 37 HZ PHE 6 HZ PHE 6 9.878 2.494 -6.181 38 HB2 PHE 6 2HB PHE 6 11.736 -2.983 -6.240 39 HB3 PHE 6 1HB PHE 6 12.709 -2.392 -4.908 40 H ILE 7 HN ILE 7 14.514 -2.741 -4.458 41 HA ILE 7 HA ILE 7 16.616 -4.559 -5.013 42 HB ILE 7 HB ILE 7 15.117 -4.209 -2.408 43 HG12 ILE 7 2HG1 ILE 7 17.629 -2.824 -3.379 44 HG13 ILE 7 1HG1 ILE 7 16.037 -2.077 -3.275 45 HG21 ILE 7 1HG2 ILE 7 17.854 -5.330 -2.996 46 HG22 ILE 7 2HG2 ILE 7 16.443 -6.237 -2.451 47 HG23 ILE 7 3HG2 ILE 7 17.194 -5.049 -1.386 48 HD11 ILE 7 3HD1 ILE 7 17.637 -3.143 -0.963 49 HD12 ILE 7 1HD1 ILE 7 16.045 -2.392 -0.859 50 HD13 ILE 7 2HD1 ILE 7 17.435 -1.445 -1.395 51 H ILE 8 HN ILE 8 13.600 -5.227 -3.221 52 HA ILE 8 HA ILE 8 13.576 -7.968 -4.082 53 HB ILE 8 HB ILE 8 11.491 -6.319 -2.639 54 HG12 ILE 8 2HG1 ILE 8 13.350 -8.505 -1.685 55 HG13 ILE 8 1HG1 ILE 8 13.563 -6.784 -1.376 56 HG21 ILE 8 1HG2 ILE 8 10.402 -8.091 -3.910 57 HG22 ILE 8 2HG2 ILE 8 10.349 -8.447 -2.183 58 HG23 ILE 8 3HG2 ILE 8 11.504 -9.282 -3.223 59 HD11 ILE 8 3HD1 ILE 8 11.449 -6.771 -0.120 60 HD12 ILE 8 1HD1 ILE 8 12.644 -7.872 0.568 61 HD13 ILE 8 2HD1 ILE 8 11.304 -8.509 -0.385 62 H LYS 9 HN LYS 9 12.842 -8.665 -5.936 63 HA LYS 9 HA LYS 9 11.661 -6.835 -7.815 64 HB2 LYS 9 2HB LYS 9 11.864 -8.697 -9.390 65 HB3 LYS 9 1HB LYS 9 13.369 -8.446 -8.517 66 HG2 LYS 9 2HG LYS 9 12.795 -10.306 -7.025 67 HG3 LYS 9 1HG LYS 9 11.312 -10.570 -7.943 68 HD2 LYS 9 2HD LYS 9 12.675 -10.982 -9.959 69 HD3 LYS 9 1HD LYS 9 14.133 -10.797 -8.983 70 HE2 LYS 9 2HE LYS 9 13.336 -12.664 -7.551 71 HE3 LYS 9 1HE LYS 9 11.990 -12.891 -8.667 72 HZ1 LYS 9 3HZ LYS 9 14.880 -13.173 -9.304 73 HZ2 LYS 9 1HZ LYS 9 13.622 -13.303 -10.435 74 HZ3 LYS 9 2HZ LYS 9 13.743 -14.425 -9.174 75 H GLU 10 HN GLU 10 9.901 -8.094 -9.295 76 HA GLU 10 HA GLU 10 7.537 -8.242 -7.745 77 HB2 GLU 10 2HB GLU 10 8.124 -9.011 -10.605 78 HB3 GLU 10 1HB GLU 10 6.521 -8.909 -9.907 79 HG2 GLU 10 2HG GLU 10 6.678 -6.573 -9.628 80 HG3 GLU 10 1HG GLU 10 8.408 -6.584 -9.969 81 H GLY 11 HN GLY 11 6.004 -10.208 -8.113 82 HA2 GLY 11 2HA GLY 11 7.028 -12.763 -8.596 83 HA3 GLY 11 1HA GLY 11 7.187 -12.447 -6.875 84 H ASP 12 HN ASP 12 5.771 -14.251 -6.642 85 HA ASP 12 HA ASP 12 2.952 -13.700 -7.298 86 HB2 ASP 12 2HB ASP 12 4.179 -16.340 -6.463 87 HB3 ASP 12 1HB ASP 12 2.575 -16.074 -7.135 88 H GLU 13 HN GLU 13 5.279 -14.043 -4.870 89 HA GLU 13 HA GLU 13 3.270 -14.116 -2.732 90 HB2 GLU 13 2HB GLU 13 5.182 -14.588 -1.234 91 HB3 GLU 13 1HB GLU 13 5.058 -15.776 -2.521 92 HG2 GLU 13 2HG GLU 13 6.955 -13.438 -2.547 93 HG3 GLU 13 1HG GLU 13 7.381 -15.058 -2.006 94 H VAL 14 HN VAL 14 4.900 -12.007 -4.608 95 HA VAL 14 HA VAL 14 5.313 -10.005 -2.510 96 HB VAL 14 HB VAL 14 6.161 -9.919 -5.414 97 HG11 VAL 14 1HG1 VAL 14 5.873 -7.696 -4.495 98 HG12 VAL 14 2HG1 VAL 14 7.590 -8.045 -4.697 99 HG13 VAL 14 3HG1 VAL 14 6.858 -8.120 -3.095 100 HG21 VAL 14 3HG2 VAL 14 7.340 -11.676 -4.204 101 HG22 VAL 14 1HG2 VAL 14 7.794 -10.523 -2.950 102 HG23 VAL 14 2HG2 VAL 14 8.423 -10.339 -4.587 103 H ALA 15 HN ALA 15 3.879 -8.462 -2.227 104 HA ALA 15 HA ALA 15 2.035 -7.794 -4.429 105 HB1 ALA 15 1HB ALA 15 0.486 -6.979 -2.726 106 HB2 ALA 15 2HB ALA 15 1.642 -7.390 -1.459 107 HB3 ALA 15 3HB ALA 15 0.903 -8.667 -2.427 108 H ASP 16 HN ASP 16 2.945 -6.114 -5.473 109 HA ASP 16 HA ASP 16 4.317 -4.056 -3.950 110 HB2 ASP 16 2HB ASP 16 4.903 -3.132 -6.175 111 HB3 ASP 16 1HB ASP 16 5.429 -4.793 -5.959 112 H VAL 17 HN VAL 17 3.585 -2.070 -3.634 113 HA VAL 17 HA VAL 17 0.980 -1.343 -4.805 114 HB VAL 17 HB VAL 17 1.682 -0.845 -1.912 115 HG11 VAL 17 1HG1 VAL 17 0.131 0.769 -2.816 116 HG12 VAL 17 2HG1 VAL 17 -0.713 -0.303 -1.698 117 HG13 VAL 17 3HG1 VAL 17 -0.895 -0.524 -3.439 118 HG21 VAL 17 3HG2 VAL 17 1.425 -3.242 -2.236 119 HG22 VAL 17 1HG2 VAL 17 -0.118 -2.983 -3.053 120 HG23 VAL 17 2HG2 VAL 17 0.051 -2.595 -1.340 121 H THR 18 HN THR 18 0.748 0.706 -5.366 122 HA THR 18 HA THR 18 2.952 2.567 -4.789 123 HB THR 18 HB THR 18 0.923 2.654 -7.034 124 HG1 THR 18 1HG THR 18 2.577 0.957 -7.137 125 HG21 THR 18 3HG2 THR 18 3.384 4.337 -6.518 126 HG22 THR 18 1HG2 THR 18 1.710 4.882 -6.416 127 HG23 THR 18 2HG2 THR 18 2.389 4.403 -7.972 128 H ILE 19 HN ILE 19 2.478 4.048 -3.308 129 HA ILE 19 HA ILE 19 -0.340 4.457 -2.600 130 HB ILE 19 HB ILE 19 2.024 5.442 -1.027 131 HG12 ILE 19 2HG1 ILE 19 0.644 2.772 -0.678 132 HG13 ILE 19 1HG1 ILE 19 2.232 2.980 -1.409 133 HG21 ILE 19 1HG2 ILE 19 -0.827 4.818 -0.291 134 HG22 ILE 19 2HG2 ILE 19 -0.083 6.412 -0.408 135 HG23 ILE 19 3HG2 ILE 19 0.427 5.291 0.854 136 HD11 ILE 19 3HD1 ILE 19 3.066 3.907 0.702 137 HD12 ILE 19 1HD1 ILE 19 2.436 2.269 0.895 138 HD13 ILE 19 2HD1 ILE 19 1.479 3.652 1.426 139 H PHE 20 HN PHE 20 -1.299 6.407 -2.676 140 HA PHE 20 HA PHE 20 0.290 8.638 -3.763 141 HD1 PHE 20 1HD PHE 20 0.003 8.928 -6.664 142 HD2 PHE 20 2HD PHE 20 -2.567 5.888 -5.167 143 HE1 PHE 20 1HE PHE 20 0.556 7.512 -8.598 144 HE2 PHE 20 2HE PHE 20 -2.018 4.467 -7.095 145 HZ PHE 20 HZ PHE 20 -0.457 5.277 -8.815 146 HB2 PHE 20 2HB PHE 20 -2.637 8.086 -4.264 147 HB3 PHE 20 1HB PHE 20 -1.692 9.392 -4.955 148 H ALA 21 HN ALA 21 0.089 10.583 -2.817 149 HA ALA 21 HA ALA 21 -2.091 11.256 -1.075 150 HB1 ALA 21 1HB ALA 21 -0.697 11.597 0.942 151 HB2 ALA 21 2HB ALA 21 0.641 10.794 0.121 152 HB3 ALA 21 3HB ALA 21 -0.833 9.900 0.482 153 H GLU 22 HN GLU 22 -1.860 13.484 -0.232 154 HA GLU 22 HA GLU 22 -0.707 15.114 -2.320 155 HB2 GLU 22 2HB GLU 22 -2.368 15.812 0.101 156 HB3 GLU 22 1HB GLU 22 -1.844 16.978 -1.108 157 HG2 GLU 22 2HG GLU 22 -3.569 14.573 -1.644 158 HG3 GLU 22 1HG GLU 22 -4.151 16.223 -1.451 159 H THR 23 HN THR 23 -0.263 14.750 1.187 160 HA THR 23 HA THR 23 2.080 16.509 0.969 161 HB THR 23 HB THR 23 1.923 16.669 3.474 162 HG1 THR 23 1HG THR 23 -0.219 16.098 4.310 163 HG21 THR 23 3HG2 THR 23 1.072 18.457 2.063 164 HG22 THR 23 1HG2 THR 23 0.019 18.233 3.458 165 HG23 THR 23 2HG2 THR 23 -0.465 17.610 1.881 166 H LYS 24 HN LYS 24 4.020 15.930 2.011 167 HA LYS 24 HA LYS 24 4.820 13.266 1.622 168 HB2 LYS 24 2HB LYS 24 6.256 15.347 1.613 169 HB3 LYS 24 1HB LYS 24 6.190 15.321 3.365 170 HG2 LYS 24 2HG LYS 24 7.089 12.837 2.051 171 HG3 LYS 24 1HG LYS 24 8.166 14.228 1.941 172 HD2 LYS 24 2HD LYS 24 8.031 14.462 4.408 173 HD3 LYS 24 1HD LYS 24 7.076 12.979 4.461 174 HE2 LYS 24 2HE LYS 24 8.903 11.705 3.567 175 HE3 LYS 24 1HE LYS 24 9.843 13.172 3.287 176 HZ1 LYS 24 3HZ LYS 24 8.973 12.221 5.965 177 HZ2 LYS 24 1HZ LYS 24 9.998 13.532 5.637 178 HZ3 LYS 24 2HZ LYS 24 10.514 11.949 5.304 179 H ASP 25 HN ASP 25 3.808 15.013 4.502 180 HA ASP 25 HA ASP 25 4.263 13.029 6.435 181 HB2 ASP 25 2HB ASP 25 3.599 15.295 7.048 182 HB3 ASP 25 1HB ASP 25 2.042 15.080 6.262 183 H ALA 26 HN ALA 26 1.477 13.596 4.324 184 HA ALA 26 HA ALA 26 -0.117 11.487 5.279 185 HB1 ALA 26 1HB ALA 26 -1.384 11.721 3.221 186 HB2 ALA 26 2HB ALA 26 -0.085 12.680 2.511 187 HB3 ALA 26 3HB ALA 26 -0.991 13.307 3.888 188 H LEU 27 HN LEU 27 2.296 11.623 2.667 189 HA LEU 27 HA LEU 27 2.101 9.012 1.739 190 HG LEU 27 HG LEU 27 2.928 9.525 -0.319 191 HB2 LEU 27 2HB LEU 27 4.285 11.022 1.882 192 HB3 LEU 27 1HB LEU 27 4.751 9.369 1.566 193 HD11 LEU 27 1HD1 LEU 27 2.735 11.722 -1.293 194 HD12 LEU 27 2HD1 LEU 27 3.736 12.412 -0.015 195 HD13 LEU 27 3HD1 LEU 27 2.143 11.762 0.369 196 HD21 LEU 27 3HD2 LEU 27 4.661 10.205 -1.875 197 HD22 LEU 27 1HD2 LEU 27 5.323 9.130 -0.644 198 HD23 LEU 27 2HD2 LEU 27 5.617 10.866 -0.548 199 H GLU 28 HN GLU 28 4.094 10.270 4.403 200 HA GLU 28 HA GLU 28 5.189 7.791 5.150 201 HB2 GLU 28 2HB GLU 28 4.869 10.432 6.534 202 HB3 GLU 28 1HB GLU 28 5.583 9.061 7.357 203 HG2 GLU 28 2HG GLU 28 7.204 8.909 5.425 204 HG3 GLU 28 1HG GLU 28 6.584 10.478 4.915 205 H SER 29 HN SER 29 2.222 9.427 6.064 206 HA SER 29 HA SER 29 1.587 7.727 8.247 207 HG SER 29 HG SER 29 1.192 10.784 7.629 208 HB2 SER 29 2HB SER 29 -0.181 9.475 6.524 209 HB3 SER 29 1HB SER 29 -0.680 8.707 8.028 210 H GLU 30 HN GLU 30 0.467 7.822 4.857 211 HA GLU 30 HA GLU 30 -1.219 5.606 4.989 212 HB2 GLU 30 2HB GLU 30 0.306 6.919 2.751 213 HB3 GLU 30 1HB GLU 30 -0.792 5.586 2.492 214 HG2 GLU 30 2HG GLU 30 -1.520 8.249 3.670 215 HG3 GLU 30 1HG GLU 30 -1.858 7.718 2.023 216 H LEU 31 HN LEU 31 2.207 5.913 4.197 217 HA LEU 31 HA LEU 31 2.719 3.273 3.407 218 HG LEU 31 HG LEU 31 5.443 2.853 4.748 219 HB2 LEU 31 2HB LEU 31 4.306 5.158 3.170 220 HB3 LEU 31 1HB LEU 31 4.540 5.165 4.902 221 HD11 LEU 31 1HD1 LEU 31 6.140 2.017 2.553 222 HD12 LEU 31 2HD1 LEU 31 5.291 3.356 1.783 223 HD13 LEU 31 3HD1 LEU 31 4.387 2.144 2.689 224 HD21 LEU 31 3HD2 LEU 31 7.605 3.521 3.806 225 HD22 LEU 31 1HD2 LEU 31 6.931 4.763 4.862 226 HD23 LEU 31 2HD2 LEU 31 6.850 4.956 3.111 227 H ALA 32 HN ALA 32 3.065 4.830 6.550 228 HA ALA 32 HA ALA 32 3.862 2.693 8.094 229 HB1 ALA 32 1HB ALA 32 1.972 4.896 8.919 230 HB2 ALA 32 2HB ALA 32 3.733 4.997 8.912 231 HB3 ALA 32 3HB ALA 32 2.919 3.877 10.003 232 H LYS 33 HN LYS 33 0.525 3.701 7.371 233 HA LYS 33 HA LYS 33 -0.768 1.717 8.891 234 HB2 LYS 33 2HB LYS 33 -1.626 3.340 6.498 235 HB3 LYS 33 1HB LYS 33 -2.702 2.239 7.330 236 HG2 LYS 33 2HG LYS 33 -1.302 4.511 8.700 237 HG3 LYS 33 1HG LYS 33 -2.909 4.645 7.982 238 HD2 LYS 33 2HD LYS 33 -3.585 2.696 9.435 239 HD3 LYS 33 1HD LYS 33 -2.038 2.885 10.266 240 HE2 LYS 33 2HE LYS 33 -2.622 5.153 10.892 241 HE3 LYS 33 1HE LYS 33 -4.130 5.039 9.989 242 HZ1 LYS 33 3HZ LYS 33 -3.382 3.627 12.480 243 HZ2 LYS 33 1HZ LYS 33 -4.680 3.120 11.509 244 HZ3 LYS 33 2HZ LYS 33 -4.701 4.663 12.201 245 H TYR 34 HN TYR 34 0.331 1.754 5.541 246 HA TYR 34 HA TYR 34 -1.017 -0.680 4.875 247 HD1 TYR 34 1HD TYR 34 -1.968 1.280 4.680 248 HD2 TYR 34 2HD TYR 34 0.030 1.302 0.924 249 HE1 TYR 34 1HE TYR 34 -3.697 2.773 3.778 250 HE2 TYR 34 2HE TYR 34 -1.697 2.792 0.014 251 HH TYR 34 HH TYR 34 -3.827 4.508 1.909 252 HB2 TYR 34 2HB TYR 34 1.168 0.840 3.438 253 HB3 TYR 34 1HB TYR 34 0.349 -0.568 2.775 254 H ILE 35 HN ILE 35 2.199 0.172 6.010 255 HA ILE 35 HA ILE 35 3.290 -2.455 5.809 256 HB ILE 35 HB ILE 35 4.062 -0.184 7.657 257 HG12 ILE 35 2HG1 ILE 35 5.279 -1.121 5.049 258 HG13 ILE 35 1HG1 ILE 35 4.303 0.331 5.254 259 HG21 ILE 35 1HG2 ILE 35 5.519 -2.745 7.008 260 HG22 ILE 35 2HG2 ILE 35 4.830 -2.291 8.568 261 HG23 ILE 35 3HG2 ILE 35 6.201 -1.394 7.911 262 HD11 ILE 35 3HD1 ILE 35 6.002 1.247 6.752 263 HD12 ILE 35 1HD1 ILE 35 6.664 0.868 5.163 264 HD13 ILE 35 2HD1 ILE 35 6.979 -0.204 6.529 265 H GLU 36 HN GLU 36 1.498 -0.692 8.277 266 HA GLU 36 HA GLU 36 1.579 -2.621 10.300 267 HB2 GLU 36 2HB GLU 36 -0.406 -0.465 9.595 268 HB3 GLU 36 1HB GLU 36 -0.539 -1.431 11.039 269 HG2 GLU 36 2HG GLU 36 1.662 0.472 10.323 270 HG3 GLU 36 1HG GLU 36 0.473 0.649 11.610 271 H LEU 37 HN LEU 37 -0.670 -2.084 7.625 272 HA LEU 37 HA LEU 37 -2.429 -4.191 8.120 273 HG LEU 37 HG LEU 37 -4.322 -3.763 6.709 274 HB2 LEU 37 2HB LEU 37 -2.382 -2.216 6.355 275 HB3 LEU 37 1HB LEU 37 -1.669 -3.444 5.330 276 HD11 LEU 37 1HD1 LEU 37 -4.471 -1.906 5.175 277 HD12 LEU 37 2HD1 LEU 37 -5.310 -3.302 4.498 278 HD13 LEU 37 3HD1 LEU 37 -3.710 -2.859 3.904 279 HD21 LEU 37 3HD2 LEU 37 -4.651 -5.528 5.005 280 HD22 LEU 37 1HD2 LEU 37 -3.322 -5.874 6.110 281 HD23 LEU 37 2HD2 LEU 37 -2.985 -5.289 4.482 282 H ALA 38 HN ALA 38 0.701 -4.075 6.502 283 HA ALA 38 HA ALA 38 0.631 -6.650 5.352 284 HB1 ALA 38 1HB ALA 38 2.215 -4.921 4.647 285 HB2 ALA 38 2HB ALA 38 3.034 -6.420 5.088 286 HB3 ALA 38 3HB ALA 38 3.042 -5.052 6.201 287 H LYS 39 HN LYS 39 1.823 -5.465 8.459 288 HA LYS 39 HA LYS 39 2.861 -7.893 9.433 289 HB2 LYS 39 2HB LYS 39 1.637 -5.578 10.943 290 HB3 LYS 39 1HB LYS 39 2.614 -6.851 11.656 291 HG2 LYS 39 2HG LYS 39 4.556 -6.131 10.472 292 HG3 LYS 39 1HG LYS 39 3.606 -4.993 9.513 293 HD2 LYS 39 2HD LYS 39 3.077 -3.724 11.526 294 HD3 LYS 39 1HD LYS 39 4.001 -4.868 12.501 295 HE2 LYS 39 2HE LYS 39 6.042 -4.239 11.408 296 HE3 LYS 39 1HE LYS 39 5.167 -3.236 10.252 297 HZ1 LYS 39 3HZ LYS 39 4.527 -1.756 12.013 298 HZ2 LYS 39 1HZ LYS 39 6.217 -1.944 12.037 299 HZ3 LYS 39 2HZ LYS 39 5.254 -2.748 13.178 300 H SER 40 HN SER 40 -0.353 -6.594 9.278 301 HA SER 40 HA SER 40 -1.584 -8.455 11.050 302 HG SER 40 HG SER 40 -3.928 -8.365 10.816 303 HB2 SER 40 2HB SER 40 -2.579 -6.267 10.576 304 HB3 SER 40 1HB SER 40 -2.754 -6.699 8.878 305 H VAL 41 HN VAL 41 -0.519 -8.567 7.796 306 HA VAL 41 HA VAL 41 -2.211 -10.855 7.152 307 HB VAL 41 HB VAL 41 -0.154 -9.437 5.446 308 HG11 VAL 41 1HG1 VAL 41 -0.471 -11.767 4.777 309 HG12 VAL 41 2HG1 VAL 41 -1.136 -10.659 3.577 310 HG13 VAL 41 3HG1 VAL 41 -2.214 -11.506 4.686 311 HG21 VAL 41 3HG2 VAL 41 -2.055 -8.007 5.973 312 HG22 VAL 41 1HG2 VAL 41 -3.165 -9.265 5.427 313 HG23 VAL 41 2HG2 VAL 41 -2.079 -8.485 4.275 314 H CYS 42 HN CYS 42 1.231 -10.033 7.501 315 HA CYS 42 HA CYS 42 1.817 -12.821 8.061 316 HG CYS 42 HG CYS 42 3.450 -14.617 5.756 317 HB2 CYS 42 2HB CYS 42 2.027 -12.499 5.579 318 HB3 CYS 42 1HB CYS 42 3.297 -11.323 5.890 319 H ALA 43 HN ALA 43 3.518 -13.065 9.418 320 HA ALA 43 HA ALA 43 4.592 -10.637 10.609 321 HB1 ALA 43 1HB ALA 43 4.945 -13.518 11.428 322 HB2 ALA 43 2HB ALA 43 3.723 -12.411 12.054 323 HB3 ALA 43 3HB ALA 43 5.432 -12.104 12.363 324 H GLY 44 HN GLY 44 5.495 -12.757 8.186 325 HA2 GLY 44 2HA GLY 44 8.364 -12.224 8.635 326 HA3 GLY 44 1HA GLY 44 7.737 -13.583 7.714 327 H VAL 45 HN VAL 45 6.248 -10.506 7.326 328 HA VAL 45 HA VAL 45 6.734 -10.524 4.538 329 HB VAL 45 HB VAL 45 4.681 -9.576 5.362 330 HG11 VAL 45 1HG1 VAL 45 4.610 -7.457 6.604 331 HG12 VAL 45 2HG1 VAL 45 6.369 -7.485 6.729 332 HG13 VAL 45 3HG1 VAL 45 5.408 -8.738 7.516 333 HG21 VAL 45 3HG2 VAL 45 6.418 -7.446 4.121 334 HG22 VAL 45 1HG2 VAL 45 4.654 -7.432 4.167 335 HG23 VAL 45 2HG2 VAL 45 5.504 -8.685 3.260 336 H GLU 46 HN GLU 46 8.549 -10.032 3.580 337 HA GLU 46 HA GLU 46 10.394 -8.077 4.723 338 HB2 GLU 46 2HB GLU 46 10.608 -9.718 2.183 339 HB3 GLU 46 1HB GLU 46 11.882 -8.722 2.874 340 HG2 GLU 46 2HG GLU 46 11.950 -10.157 4.838 341 HG3 GLU 46 1HG GLU 46 10.665 -11.151 4.158 342 H TYR 47 HN TYR 47 10.759 -6.050 3.767 343 HA TYR 47 HA TYR 47 9.134 -5.429 1.436 344 HD1 TYR 47 2HD TYR 47 8.503 -5.498 5.554 345 HD2 TYR 47 1HD TYR 47 9.294 -1.795 3.613 346 HE1 TYR 47 2HE TYR 47 9.176 -4.520 7.706 347 HE2 TYR 47 1HE TYR 47 9.971 -0.806 5.760 348 HH TYR 47 HH TYR 47 9.621 -1.155 8.135 349 HB2 TYR 47 2HB TYR 47 8.055 -3.511 2.499 350 HB3 TYR 47 1HB TYR 47 7.632 -5.013 3.304 351 H ASN 48 HN ASN 48 9.590 -3.518 0.393 352 HA ASN 48 HA ASN 48 11.940 -1.997 1.303 353 HB2 ASN 48 2HB ASN 48 11.315 -2.710 -1.567 354 HB3 ASN 48 1HB ASN 48 12.568 -1.601 -1.060 355 HD21 ASN 48 1HD2 ASN 48 13.498 -3.115 1.170 356 HD22 ASN 48 2HD2 ASN 48 14.294 -4.517 0.536 357 H VAL 49 HN VAL 49 11.988 0.155 0.305 358 HA VAL 49 HA VAL 49 9.397 1.237 -0.492 359 HB VAL 49 HB VAL 49 10.959 2.387 1.840 360 HG11 VAL 49 1HG1 VAL 49 9.075 3.922 2.080 361 HG12 VAL 49 2HG1 VAL 49 8.308 3.209 0.660 362 HG13 VAL 49 3HG1 VAL 49 9.832 4.082 0.495 363 HG21 VAL 49 3HG2 VAL 49 8.306 0.952 1.852 364 HG22 VAL 49 1HG2 VAL 49 9.048 1.755 3.237 365 HG23 VAL 49 2HG2 VAL 49 9.823 0.344 2.515 366 H SER 50 HN SER 50 9.636 2.901 -1.939 367 HA SER 50 HA SER 50 12.150 3.552 -3.003 368 HG SER 50 HG SER 50 8.998 5.105 -2.354 369 HB2 SER 50 2HB SER 50 10.737 5.640 -3.835 370 HB3 SER 50 1HB SER 50 10.507 4.036 -4.512 371 H GLU 51 HN GLU 51 13.155 5.662 -3.034 372 HA GLU 51 HA GLU 51 13.460 6.593 -0.317 373 HB2 GLU 51 2HB GLU 51 15.178 8.165 -1.391 374 HB3 GLU 51 1HB GLU 51 15.510 6.442 -1.414 375 HG2 GLU 51 2HG GLU 51 14.515 6.455 -3.760 376 HG3 GLU 51 1HG GLU 51 14.659 8.210 -3.677 377 H LEU 52 HN LEU 52 12.445 8.192 0.588 378 HA LEU 52 HA LEU 52 10.396 9.548 -0.885 379 HG LEU 52 HG LEU 52 10.368 7.562 1.532 380 HB2 LEU 52 2HB LEU 52 11.260 9.814 1.997 381 HB3 LEU 52 1HB LEU 52 9.815 10.523 1.305 382 HD11 LEU 52 1HD1 LEU 52 9.960 8.619 3.699 383 HD12 LEU 52 2HD1 LEU 52 8.615 7.582 3.226 384 HD13 LEU 52 3HD1 LEU 52 8.473 9.333 3.073 385 HD21 LEU 52 3HD2 LEU 52 7.910 9.051 0.616 386 HD22 LEU 52 1HD2 LEU 52 8.043 7.305 0.828 387 HD23 LEU 52 2HD2 LEU 52 9.001 8.119 -0.410 388 H THR 53 HN THR 53 10.204 11.695 -1.319 389 HA THR 53 HA THR 53 12.506 13.412 -0.679 390 HB THR 53 HB THR 53 12.071 14.595 -2.863 391 HG1 THR 53 1HG THR 53 10.149 12.623 -2.999 392 HG21 THR 53 3HG2 THR 53 12.927 11.705 -3.059 393 HG22 THR 53 1HG2 THR 53 13.961 13.061 -2.607 394 HG23 THR 53 2HG2 THR 53 13.286 12.970 -4.233 395 H GLU 54 HN GLU 54 11.834 15.800 -1.049 396 HA GLU 54 HA GLU 54 9.824 16.429 0.747 397 HB2 GLU 54 2HB GLU 54 10.105 18.743 -0.075 398 HB3 GLU 54 1HB GLU 54 11.624 17.949 0.285 399 HG2 GLU 54 2HG GLU 54 11.928 17.501 -2.117 400 HG3 GLU 54 1HG GLU 54 10.443 18.392 -2.445 401 H GLU 55 HN GLU 55 9.731 16.542 -2.807 402 HA GLU 55 HA GLU 55 6.816 16.801 -2.602 403 HB2 GLU 55 2HB GLU 55 8.782 17.959 -4.526 404 HB3 GLU 55 1HB GLU 55 7.127 17.668 -5.053 405 HG2 GLU 55 2HG GLU 55 8.003 19.376 -2.739 406 HG3 GLU 55 1HG GLU 55 7.358 19.932 -4.283 407 H SER 56 HN SER 56 8.024 14.235 -2.492 408 HA SER 56 HA SER 56 7.203 13.045 -5.011 409 HG SER 56 HG SER 56 7.632 12.190 -1.528 410 HB2 SER 56 2HB SER 56 7.299 10.912 -3.430 411 HB3 SER 56 1HB SER 56 8.768 11.634 -4.072 412 H LYS 57 HN LYS 57 5.143 12.841 -5.507 413 HA LYS 57 HA LYS 57 3.160 13.194 -3.401 414 HB2 LYS 57 2HB LYS 57 2.466 12.862 -6.298 415 HB3 LYS 57 1HB LYS 57 1.648 13.810 -5.065 416 HG2 LYS 57 2HG LYS 57 4.262 14.477 -6.408 417 HG3 LYS 57 1HG LYS 57 2.710 15.273 -6.658 418 HD2 LYS 57 2HD LYS 57 4.136 15.196 -4.004 419 HD3 LYS 57 1HD LYS 57 4.330 16.501 -5.171 420 HE2 LYS 57 2HE LYS 57 1.895 16.914 -5.053 421 HE3 LYS 57 1HE LYS 57 1.765 15.662 -3.821 422 HZ1 LYS 57 3HZ LYS 57 3.441 18.106 -3.562 423 HZ2 LYS 57 1HZ LYS 57 3.165 16.934 -2.367 424 HZ3 LYS 57 2HZ LYS 57 1.892 17.925 -2.893 425 H GLU 58 HN GLU 58 4.762 10.675 -4.753 426 HA GLU 58 HA GLU 58 2.856 8.784 -3.718 427 HB2 GLU 58 2HB GLU 58 2.633 7.437 -5.714 428 HB3 GLU 58 1HB GLU 58 2.063 9.061 -6.052 429 HG2 GLU 58 2HG GLU 58 4.808 8.086 -6.789 430 HG3 GLU 58 1HG GLU 58 3.413 7.962 -7.857 431 H LEU 59 HN LEU 59 3.774 6.573 -3.698 432 HA LEU 59 HA LEU 59 6.633 6.363 -4.162 433 HG LEU 59 HG LEU 59 4.960 4.672 -1.287 434 HB2 LEU 59 2HB LEU 59 7.204 5.688 -1.938 435 HB3 LEU 59 1HB LEU 59 6.422 7.252 -1.853 436 HD11 LEU 59 1HD1 LEU 59 5.300 5.164 1.084 437 HD12 LEU 59 2HD1 LEU 59 6.349 6.514 0.652 438 HD13 LEU 59 3HD1 LEU 59 6.828 4.863 0.257 439 HD21 LEU 59 3HD2 LEU 59 3.557 6.615 -1.808 440 HD22 LEU 59 1HD2 LEU 59 4.373 7.539 -0.547 441 HD23 LEU 59 2HD2 LEU 59 3.396 6.136 -0.118 442 H THR 60 HN THR 60 7.394 4.168 -4.090 443 HA THR 60 HA THR 60 5.211 2.230 -4.497 444 HB THR 60 HB THR 60 8.005 2.054 -5.641 445 HG1 THR 60 1HG THR 60 5.780 3.469 -6.475 446 HG21 THR 60 3HG2 THR 60 6.959 0.423 -7.171 447 HG22 THR 60 1HG2 THR 60 5.441 0.594 -6.289 448 HG23 THR 60 2HG2 THR 60 6.856 -0.085 -5.485 449 H ALA 61 HN ALA 61 5.095 0.576 -3.140 450 HA ALA 61 HA ALA 61 7.452 -0.013 -1.473 451 HB1 ALA 61 1HB ALA 61 5.608 0.977 -0.198 452 HB2 ALA 61 2HB ALA 61 5.926 -0.685 0.299 453 HB3 ALA 61 3HB ALA 61 4.544 -0.322 -0.735 454 H ARG 62 HN ARG 62 8.116 -2.076 -1.283 455 HA ARG 62 HA ARG 62 6.729 -4.107 -2.902 456 HE ARG 62 HE ARG 62 10.093 -4.957 -6.244 457 HB2 ARG 62 2HB ARG 62 9.560 -3.903 -1.868 458 HB3 ARG 62 1HB ARG 62 8.912 -5.383 -2.554 459 HG2 ARG 62 2HG ARG 62 9.053 -2.764 -4.023 460 HG3 ARG 62 1HG ARG 62 10.281 -4.028 -4.117 461 HD2 ARG 62 2HD ARG 62 8.185 -5.526 -4.702 462 HD3 ARG 62 1HD ARG 62 7.512 -3.974 -5.204 463 HH11 ARG 62 1HH1 ARG 62 6.871 -3.700 -6.767 464 HH12 ARG 62 2HH1 ARG 62 7.056 -3.554 -8.489 465 HH21 ARG 62 1HH2 ARG 62 10.352 -4.773 -8.493 466 HH22 ARG 62 2HH2 ARG 62 9.052 -4.162 -9.467 467 H PHE 63 HN PHE 63 5.402 -5.398 -1.715 468 HA PHE 63 HA PHE 63 6.281 -6.065 1.013 469 HD1 PHE 63 2HD PHE 63 4.829 -5.019 3.074 470 HD2 PHE 63 1HD PHE 63 3.039 -3.908 -0.622 471 HE1 PHE 63 2HE PHE 63 4.479 -2.741 3.934 472 HE2 PHE 63 1HE PHE 63 2.686 -1.627 0.230 473 HZ PHE 63 HZ PHE 63 3.407 -1.042 2.511 474 HB2 PHE 63 2HB PHE 63 3.505 -6.155 -0.190 475 HB3 PHE 63 1HB PHE 63 3.910 -6.703 1.433 476 H LYS 64 HN LYS 64 7.414 -7.889 0.941 477 HA LYS 64 HA LYS 64 6.543 -10.045 -0.846 478 HB2 LYS 64 2HB LYS 64 8.875 -9.472 -1.085 479 HB3 LYS 64 1HB LYS 64 9.129 -9.591 0.652 480 HG2 LYS 64 2HG LYS 64 8.620 -12.001 0.529 481 HG3 LYS 64 1HG LYS 64 8.472 -11.852 -1.223 482 HD2 LYS 64 2HD LYS 64 10.775 -11.226 -1.426 483 HD3 LYS 64 1HD LYS 64 10.950 -11.127 0.329 484 HE2 LYS 64 2HE LYS 64 10.272 -13.637 -1.199 485 HE3 LYS 64 1HE LYS 64 11.887 -13.212 -0.630 486 HZ1 LYS 64 3HZ LYS 64 10.680 -14.746 0.857 487 HZ2 LYS 64 1HZ LYS 64 9.525 -13.545 1.146 488 HZ3 LYS 64 2HZ LYS 64 11.131 -13.302 1.628 489 H PHE 65 HN PHE 65 5.279 -11.533 -0.004 490 HA PHE 65 HA PHE 65 5.339 -12.002 2.885 491 HD1 PHE 65 1HD PHE 65 2.926 -11.172 4.054 492 HD2 PHE 65 2HD PHE 65 2.736 -10.793 -0.181 493 HE1 PHE 65 1HE PHE 65 1.843 -8.980 4.303 494 HE2 PHE 65 2HE PHE 65 1.649 -8.598 0.062 495 HZ PHE 65 HZ PHE 65 1.201 -7.692 2.307 496 HB2 PHE 65 2HB PHE 65 3.322 -12.859 0.796 497 HB3 PHE 65 1HB PHE 65 3.173 -13.127 2.530 498 H GLU 66 HN GLU 66 4.388 -14.547 3.056 499 HA GLU 66 HA GLU 66 6.761 -16.042 2.315 500 HB2 GLU 66 2HB GLU 66 4.371 -16.674 4.043 501 HB3 GLU 66 1HB GLU 66 5.670 -17.809 3.736 502 HG2 GLU 66 2HG GLU 66 6.017 -15.114 5.013 503 HG3 GLU 66 1HG GLU 66 5.878 -16.637 5.891 504 H VAL 67 HN VAL 67 3.241 -16.277 1.939 505 HA VAL 67 HA VAL 67 3.714 -18.055 -0.366 506 HB VAL 67 HB VAL 67 1.545 -19.144 0.085 507 HG11 VAL 67 1HG1 VAL 67 3.601 -20.177 0.881 508 HG12 VAL 67 2HG1 VAL 67 2.275 -20.483 2.002 509 HG13 VAL 67 3HG1 VAL 67 3.492 -19.265 2.387 510 HG21 VAL 67 3HG2 VAL 67 0.459 -18.848 2.264 511 HG22 VAL 67 1HG2 VAL 67 0.452 -17.355 1.323 512 HG23 VAL 67 2HG2 VAL 67 1.596 -17.557 2.651 513 H SER 68 HN SER 68 2.121 -17.977 -2.036 514 HA SER 68 HA SER 68 1.635 -15.361 -2.893 515 HG SER 68 HG SER 68 2.174 -18.055 -5.261 516 HB2 SER 68 2HB SER 68 0.308 -17.862 -3.952 517 HB3 SER 68 1HB SER 68 0.643 -16.370 -4.830 518 H ALA 69 HN ALA 69 -0.224 -17.417 -0.920 519 HA ALA 69 HA ALA 69 -2.814 -16.399 -1.452 520 HB1 ALA 69 1HB ALA 69 -3.457 -17.479 0.634 521 HB2 ALA 69 2HB ALA 69 -1.759 -17.696 1.059 522 HB3 ALA 69 3HB ALA 69 -2.436 -18.543 -0.333 523 H GLU 70 HN GLU 70 -0.236 -15.461 0.748 524 HA GLU 70 HA GLU 70 -1.770 -13.657 2.310 525 HB2 GLU 70 2HB GLU 70 1.208 -13.871 1.854 526 HB3 GLU 70 1HB GLU 70 0.461 -12.869 3.088 527 HG2 GLU 70 2HG GLU 70 -0.393 -14.768 4.232 528 HG3 GLU 70 1HG GLU 70 0.058 -15.836 2.904 529 H LYS 71 HN LYS 71 0.111 -13.376 -0.617 530 HA LYS 71 HA LYS 71 0.182 -10.629 -1.022 531 HB2 LYS 71 2HB LYS 71 1.232 -12.231 -2.530 532 HB3 LYS 71 1HB LYS 71 -0.324 -12.864 -2.992 533 HG2 LYS 71 2HG LYS 71 -0.904 -10.751 -4.040 534 HG3 LYS 71 1HG LYS 71 0.654 -10.076 -3.556 535 HD2 LYS 71 2HD LYS 71 1.838 -11.475 -5.009 536 HD3 LYS 71 1HD LYS 71 0.474 -12.573 -5.208 537 HE2 LYS 71 2HE LYS 71 0.869 -11.180 -7.196 538 HE3 LYS 71 1HE LYS 71 -0.724 -10.918 -6.491 539 HZ1 LYS 71 3HZ LYS 71 0.432 -8.863 -7.167 540 HZ2 LYS 71 1HZ LYS 71 1.619 -9.163 -5.992 541 HZ3 LYS 71 2HZ LYS 71 0.010 -8.885 -5.529 542 H LEU 72 HN LEU 72 -2.187 -12.912 -2.226 543 HA LEU 72 HA LEU 72 -4.077 -11.136 -3.205 544 HG LEU 72 HG LEU 72 -2.951 -14.013 -3.810 545 HB2 LEU 72 2HB LEU 72 -4.600 -13.845 -1.969 546 HB3 LEU 72 1HB LEU 72 -5.685 -12.982 -3.041 547 HD11 LEU 72 1HD1 LEU 72 -4.179 -15.660 -5.132 548 HD12 LEU 72 2HD1 LEU 72 -5.703 -15.048 -4.487 549 HD13 LEU 72 3HD1 LEU 72 -4.538 -15.823 -3.413 550 HD21 LEU 72 3HD2 LEU 72 -5.137 -12.738 -5.453 551 HD22 LEU 72 1HD2 LEU 72 -3.659 -13.457 -6.092 552 HD23 LEU 72 2HD2 LEU 72 -3.570 -12.027 -5.063 553 H ILE 73 HN ILE 73 -3.949 -12.597 0.046 554 HA ILE 73 HA ILE 73 -6.300 -11.474 1.053 555 HB ILE 73 HB ILE 73 -3.757 -12.153 2.549 556 HG12 ILE 73 2HG1 ILE 73 -6.312 -13.735 2.164 557 HG13 ILE 73 1HG1 ILE 73 -4.799 -14.037 1.318 558 HG21 ILE 73 1HG2 ILE 73 -5.178 -12.250 4.552 559 HG22 ILE 73 2HG2 ILE 73 -6.543 -11.662 3.602 560 HG23 ILE 73 3HG2 ILE 73 -5.135 -10.631 3.854 561 HD11 ILE 73 3HD1 ILE 73 -3.719 -14.528 3.467 562 HD12 ILE 73 1HD1 ILE 73 -5.078 -15.602 3.133 563 HD13 ILE 73 2HD1 ILE 73 -5.263 -14.276 4.281 564 H PHE 74 HN PHE 74 -2.985 -10.197 1.119 565 HA PHE 74 HA PHE 74 -3.558 -7.834 2.539 566 HD1 PHE 74 2HD PHE 74 -1.385 -6.665 3.771 567 HD2 PHE 74 1HD PHE 74 -0.836 -6.329 -0.436 568 HE1 PHE 74 2HE PHE 74 -0.495 -4.390 4.070 569 HE2 PHE 74 1HE PHE 74 0.054 -4.055 -0.143 570 HZ PHE 74 HZ PHE 74 0.225 -3.083 2.114 571 HB2 PHE 74 2HB PHE 74 -1.277 -8.666 2.231 572 HB3 PHE 74 1HB PHE 74 -1.391 -8.399 0.496 573 H GLU 75 HN GLU 75 -3.472 -8.523 -0.941 574 HA GLU 75 HA GLU 75 -4.052 -5.884 -1.771 575 HB2 GLU 75 2HB GLU 75 -4.377 -8.545 -3.150 576 HB3 GLU 75 1HB GLU 75 -4.704 -7.011 -3.943 577 HG2 GLU 75 2HG GLU 75 -2.331 -6.359 -3.280 578 HG3 GLU 75 1HG GLU 75 -2.092 -8.069 -2.925 579 H LEU 76 HN LEU 76 -6.081 -8.543 -0.751 580 HA LEU 76 HA LEU 76 -8.536 -7.424 -1.620 581 HG LEU 76 HG LEU 76 -7.623 -10.209 -2.032 582 HB2 LEU 76 2HB LEU 76 -7.734 -9.558 0.331 583 HB3 LEU 76 1HB LEU 76 -9.398 -9.092 0.127 584 HD11 LEU 76 1HD1 LEU 76 -9.915 -11.459 -0.521 585 HD12 LEU 76 2HD1 LEU 76 -8.208 -11.879 -0.363 586 HD13 LEU 76 3HD1 LEU 76 -9.057 -12.186 -1.878 587 HD21 LEU 76 3HD2 LEU 76 -10.550 -9.491 -2.063 588 HD22 LEU 76 1HD2 LEU 76 -9.692 -10.337 -3.350 589 HD23 LEU 76 2HD2 LEU 76 -9.260 -8.675 -2.946 590 H LYS 77 HN LYS 77 -6.828 -7.501 1.510 591 HA LYS 77 HA LYS 77 -8.873 -6.117 2.905 592 HB2 LYS 77 2HB LYS 77 -5.966 -6.557 3.592 593 HB3 LYS 77 1HB LYS 77 -7.119 -5.805 4.683 594 HG2 LYS 77 2HG LYS 77 -8.462 -8.051 4.114 595 HG3 LYS 77 1HG LYS 77 -6.814 -8.634 3.884 596 HD2 LYS 77 2HD LYS 77 -7.918 -7.320 6.370 597 HD3 LYS 77 1HD LYS 77 -7.571 -9.035 6.168 598 HE2 LYS 77 2HE LYS 77 -5.201 -8.530 5.883 599 HE3 LYS 77 1HE LYS 77 -5.543 -6.808 6.041 600 HZ1 LYS 77 3HZ LYS 77 -5.839 -8.896 8.130 601 HZ2 LYS 77 1HZ LYS 77 -6.449 -7.323 8.293 602 HZ3 LYS 77 2HZ LYS 77 -4.786 -7.574 8.132 603 H THR 78 HN THR 78 -6.063 -5.032 1.112 604 HA THR 78 HA THR 78 -6.042 -2.380 2.093 605 HB THR 78 HB THR 78 -4.869 -1.907 -0.162 606 HG1 THR 78 1HG THR 78 -4.515 -4.705 -0.226 607 HG21 THR 78 3HG2 THR 78 -3.703 -3.915 1.767 608 HG22 THR 78 1HG2 THR 78 -3.693 -2.161 1.966 609 HG23 THR 78 2HG2 THR 78 -2.789 -2.905 0.647 610 H ARG 79 HN ARG 79 -7.883 -3.967 -0.429 611 HA ARG 79 HA ARG 79 -8.830 -1.714 -1.783 612 HE ARG 79 HE ARG 79 -7.816 -1.702 -3.037 613 HB2 ARG 79 2HB ARG 79 -9.902 -4.490 -1.367 614 HB3 ARG 79 1HB ARG 79 -10.770 -3.302 -2.309 615 HG2 ARG 79 2HG ARG 79 -7.948 -4.130 -2.905 616 HG3 ARG 79 1HG ARG 79 -9.361 -4.902 -3.620 617 HD2 ARG 79 2HD ARG 79 -8.588 -3.304 -5.187 618 HD3 ARG 79 1HD ARG 79 -10.046 -2.636 -4.462 619 HH11 ARG 79 1HH1 ARG 79 -9.381 -1.355 -6.132 620 HH12 ARG 79 2HH1 ARG 79 -8.735 0.228 -6.441 621 HH21 ARG 79 1HH2 ARG 79 -6.973 0.417 -3.418 622 HH22 ARG 79 2HH2 ARG 79 -7.364 1.228 -4.897 623 H SER 80 HN SER 80 -10.061 -3.426 1.061 624 HA SER 80 HA SER 80 -12.431 -1.790 1.129 625 HG SER 80 HG SER 80 -14.046 -2.731 2.454 626 HB2 SER 80 2HB SER 80 -12.377 -4.237 1.773 627 HB3 SER 80 1HB SER 80 -11.514 -3.757 3.232 628 H LEU 81 HN LEU 81 -9.270 -1.494 2.311 629 HA LEU 81 HA LEU 81 -10.074 0.229 4.505 630 HG LEU 81 HG LEU 81 -7.083 1.461 4.115 631 HB2 LEU 81 2HB LEU 81 -8.264 -1.102 5.122 632 HB3 LEU 81 1HB LEU 81 -7.480 -0.929 3.561 633 HD11 LEU 81 1HD1 LEU 81 -8.785 1.751 5.827 634 HD12 LEU 81 2HD1 LEU 81 -7.190 2.140 6.471 635 HD13 LEU 81 3HD1 LEU 81 -7.952 0.601 6.873 636 HD21 LEU 81 3HD2 LEU 81 -5.189 1.013 5.612 637 HD22 LEU 81 1HD2 LEU 81 -5.313 -0.178 4.318 638 HD23 LEU 81 2HD2 LEU 81 -5.850 -0.588 5.947 639 H ALA 82 HN ALA 82 -8.502 0.364 1.361 640 HA ALA 82 HA ALA 82 -8.143 3.259 1.632 641 HB1 ALA 82 1HB ALA 82 -6.679 3.074 -0.324 642 HB2 ALA 82 2HB ALA 82 -7.054 1.355 -0.439 643 HB3 ALA 82 3HB ALA 82 -6.180 1.976 0.960 644 H ARG 83 HN ARG 83 -10.653 1.653 0.961 645 HA ARG 83 HA ARG 83 -11.786 3.578 -0.798 646 HE ARG 83 HE ARG 83 -12.030 4.617 -1.703 647 HB2 ARG 83 2HB ARG 83 -10.470 1.767 -2.242 648 HB3 ARG 83 1HB ARG 83 -11.926 0.825 -1.962 649 HG2 ARG 83 2HG ARG 83 -12.230 1.884 -4.033 650 HG3 ARG 83 1HG ARG 83 -13.223 2.787 -2.889 651 HD2 ARG 83 2HD ARG 83 -10.463 3.593 -3.825 652 HD3 ARG 83 1HD ARG 83 -11.977 4.258 -4.432 653 HH11 ARG 83 1HH1 ARG 83 -10.055 5.701 -4.374 654 HH12 ARG 83 2HH1 ARG 83 -9.532 7.152 -3.573 655 HH21 ARG 83 1HH2 ARG 83 -11.359 6.511 -0.641 656 HH22 ARG 83 2HH2 ARG 83 -10.283 7.615 -1.442 657 H LEU 84 HN LEU 84 -14.147 3.097 -1.124 658 HA LEU 84 HA LEU 84 -15.214 1.849 1.262 659 HG LEU 84 HG LEU 84 -15.373 4.795 0.504 660 HB2 LEU 84 2HB LEU 84 -16.515 3.276 -1.053 661 HB3 LEU 84 1HB LEU 84 -17.412 2.580 0.281 662 HD11 LEU 84 1HD1 LEU 84 -18.379 4.844 0.738 663 HD12 LEU 84 2HD1 LEU 84 -17.427 5.517 -0.585 664 HD13 LEU 84 3HD1 LEU 84 -17.296 6.205 1.033 665 HD21 LEU 84 3HD2 LEU 84 -16.133 4.968 2.823 666 HD22 LEU 84 1HD2 LEU 84 -15.412 3.393 2.494 667 HD23 LEU 84 2HD2 LEU 84 -17.165 3.557 2.590 668 H GLU 85 HN GLU 85 -13.920 0.087 -0.555 669 HA GLU 85 HA GLU 85 -15.967 -1.279 -2.063 670 HB2 GLU 85 2HB GLU 85 -13.072 -1.964 -1.619 671 HB3 GLU 85 1HB GLU 85 -14.158 -2.866 -2.655 672 HG2 GLU 85 2HG GLU 85 -14.481 -0.816 -4.009 673 HG3 GLU 85 1HG GLU 85 -13.251 -0.027 -3.021 674 H HIS 86 HN HIS 86 -16.452 -3.418 -1.865 675 HA HIS 86 HA HIS 86 -15.669 -5.059 0.325 676 HD1 HIS 86 1HD HIS 86 -17.545 -2.219 2.598 677 HD2 HIS 86 2HD HIS 86 -16.440 -6.223 2.839 678 HE1 HIS 86 1HE HIS 86 -16.578 -2.523 4.898 679 HE2 HIS 86 2HE HIS 86 -15.741 -4.903 4.953 680 HB2 HIS 86 2HB HIS 86 -18.152 -3.486 0.549 681 HB3 HIS 86 1HB HIS 86 -18.373 -5.215 0.798 682 H HIS 87 HN HIS 87 -15.179 -6.567 -1.188 683 HA HIS 87 HA HIS 87 -16.770 -7.117 -3.454 684 HD1 HIS 87 1HD HIS 87 -13.715 -6.475 -4.613 685 HD2 HIS 87 2HD HIS 87 -15.738 -10.032 -5.376 686 HE1 HIS 87 1HE HIS 87 -13.536 -6.843 -7.099 687 HE2 HIS 87 2HE HIS 87 -14.697 -9.041 -7.528 688 HB2 HIS 87 2HB HIS 87 -14.233 -7.876 -2.505 689 HB3 HIS 87 1HB HIS 87 -15.134 -9.374 -2.722 690 H HIS 88 HN HIS 88 -16.336 -8.827 -0.378 691 HA HIS 88 HA HIS 88 -17.691 -10.199 0.806 692 HD1 HIS 88 1HD HIS 88 -21.838 -10.304 -1.051 693 HD2 HIS 88 2HD HIS 88 -19.965 -10.621 2.654 694 HE1 HIS 88 1HE HIS 88 -23.344 -11.756 0.354 695 HE2 HIS 88 2HE HIS 88 -22.251 -11.844 2.623 696 HB2 HIS 88 2HB HIS 88 -19.335 -8.440 0.671 697 HB3 HIS 88 1HB HIS 88 -19.807 -8.939 -0.947 698 H HIS 89 HN HIS 89 -16.751 -12.105 0.108 699 HA HIS 89 HA HIS 89 -18.567 -13.784 -1.416 700 HD1 HIS 89 1HD HIS 89 -17.521 -13.764 -5.150 701 HD2 HIS 89 2HD HIS 89 -16.853 -16.650 -2.228 702 HE1 HIS 89 1HE HIS 89 -18.026 -15.971 -6.245 703 HE2 HIS 89 2HE HIS 89 -17.848 -17.669 -4.391 704 HB2 HIS 89 2HB HIS 89 -16.834 -12.749 -3.023 705 HB3 HIS 89 1HB HIS 89 -15.653 -13.769 -2.205 706 H HIS 90 HN HIS 90 -15.215 -13.870 -0.266 707 HA HIS 90 HA HIS 90 -14.126 -15.094 1.297 708 HD1 HIS 90 1HD HIS 90 -15.177 -18.159 3.152 709 HD2 HIS 90 2HD HIS 90 -14.480 -14.404 4.802 710 HE1 HIS 90 1HE HIS 90 -13.822 -18.567 5.233 711 HE2 HIS 90 2HE HIS 90 -13.574 -16.298 6.306 712 HB2 HIS 90 2HB HIS 90 -16.181 -14.508 2.705 713 HB3 HIS 90 1HB HIS 90 -16.782 -16.113 2.307 714 H HIS 91 HN HIS 91 -13.168 -17.081 1.303 715 HA HIS 91 HA HIS 91 -14.524 -19.176 -0.268 716 HD1 HIS 91 1HD HIS 91 -13.482 -20.171 -2.736 717 HD2 HIS 91 2HD HIS 91 -10.837 -21.550 0.163 718 HE1 HIS 91 1HE HIS 91 -12.865 -22.509 -3.430 719 HE2 HIS 91 2HE HIS 91 -11.510 -23.404 -1.503 720 HB2 HIS 91 2HB HIS 91 -12.335 -18.299 -1.157 721 HB3 HIS 91 1HB HIS 91 -11.558 -18.923 0.292 Start of MODEL 14 1 HA ALA 1 HA ALA 1 2.656 4.415 -12.270 2 H1 ALA 1 1HT ALA 1 1.310 2.995 -13.689 3 H2 ALA 1 2HT ALA 1 1.907 1.620 -12.898 4 H3 ALA 1 3HT ALA 1 2.958 2.605 -13.791 5 HB1 ALA 1 2HB ALA 1 1.334 4.156 -10.252 6 HB2 ALA 1 3HB ALA 1 0.881 2.521 -10.736 7 HB3 ALA 1 1HB ALA 1 0.327 3.906 -11.678 8 H GLY 2 HN GLY 2 4.068 4.639 -10.500 9 HA2 GLY 2 2HA GLY 2 5.538 3.909 -8.840 10 HA3 GLY 2 1HA GLY 2 5.163 2.246 -9.262 11 H GLU 3 HN GLU 3 7.738 3.722 -8.863 12 HA GLU 3 HA GLU 3 8.941 3.071 -11.472 13 HB2 GLU 3 2HB GLU 3 9.100 5.458 -10.035 14 HB3 GLU 3 1HB GLU 3 10.628 4.653 -9.709 15 HG2 GLU 3 2HG GLU 3 9.492 5.289 -12.423 16 HG3 GLU 3 1HG GLU 3 10.816 6.129 -11.617 17 H ILE 4 HN ILE 4 10.569 1.587 -11.512 18 HA ILE 4 HA ILE 4 10.863 0.031 -9.060 19 HB ILE 4 HB ILE 4 12.142 -0.822 -11.617 20 HG12 ILE 4 2HG1 ILE 4 9.167 -1.046 -11.081 21 HG13 ILE 4 1HG1 ILE 4 9.900 0.004 -12.289 22 HG21 ILE 4 1HG2 ILE 4 12.422 -2.212 -9.672 23 HG22 ILE 4 2HG2 ILE 4 11.374 -3.038 -10.824 24 HG23 ILE 4 3HG2 ILE 4 10.679 -2.254 -9.407 25 HD11 ILE 4 3HD1 ILE 4 10.756 -1.956 -13.467 26 HD12 ILE 4 1HD1 ILE 4 9.000 -2.002 -13.303 27 HD13 ILE 4 2HD1 ILE 4 10.009 -3.002 -12.258 28 H GLY 5 HN GLY 5 13.017 -0.895 -8.596 29 HA2 GLY 5 2HA GLY 5 15.486 -0.294 -9.269 30 HA3 GLY 5 1HA GLY 5 14.985 1.253 -8.596 31 H PHE 6 HN PHE 6 14.213 -2.039 -7.661 32 HA PHE 6 HA PHE 6 14.989 -1.327 -4.907 33 HD1 PHE 6 1HD PHE 6 12.883 -0.435 -3.547 34 HD2 PHE 6 2HD PHE 6 11.319 -2.335 -7.020 35 HE1 PHE 6 1HE PHE 6 11.167 1.316 -3.729 36 HE2 PHE 6 2HE PHE 6 9.600 -0.585 -7.209 37 HZ PHE 6 HZ PHE 6 9.523 1.244 -5.559 38 HB2 PHE 6 2HB PHE 6 12.967 -3.393 -5.795 39 HB3 PHE 6 1HB PHE 6 13.305 -2.901 -4.140 40 H ILE 7 HN ILE 7 15.383 -3.396 -3.568 41 HA ILE 7 HA ILE 7 17.628 -4.751 -4.716 42 HB ILE 7 HB ILE 7 16.230 -5.302 -2.092 43 HG12 ILE 7 2HG1 ILE 7 18.608 -3.517 -2.667 44 HG13 ILE 7 1HG1 ILE 7 16.982 -2.953 -2.298 45 HG21 ILE 7 1HG2 ILE 7 17.692 -7.113 -2.842 46 HG22 ILE 7 2HG2 ILE 7 18.349 -6.303 -1.420 47 HG23 ILE 7 3HG2 ILE 7 19.022 -5.969 -3.016 48 HD11 ILE 7 3HD1 ILE 7 17.131 -3.953 -0.083 49 HD12 ILE 7 1HD1 ILE 7 18.444 -2.809 -0.363 50 HD13 ILE 7 2HD1 ILE 7 18.751 -4.544 -0.454 51 H ILE 8 HN ILE 8 14.457 -5.792 -3.490 52 HA ILE 8 HA ILE 8 14.797 -8.414 -4.705 53 HB ILE 8 HB ILE 8 12.537 -7.259 -3.059 54 HG12 ILE 8 2HG1 ILE 8 14.665 -9.290 -2.375 55 HG13 ILE 8 1HG1 ILE 8 14.659 -7.610 -1.846 56 HG21 ILE 8 1HG2 ILE 8 11.707 -9.569 -2.907 57 HG22 ILE 8 2HG2 ILE 8 12.946 -10.078 -4.054 58 HG23 ILE 8 3HG2 ILE 8 11.679 -8.961 -4.562 59 HD11 ILE 8 3HD1 ILE 8 12.579 -8.023 -0.612 60 HD12 ILE 8 1HD1 ILE 8 13.896 -9.067 -0.073 61 HD13 ILE 8 2HD1 ILE 8 12.630 -9.712 -1.117 62 H LYS 9 HN LYS 9 13.957 -8.993 -6.602 63 HA LYS 9 HA LYS 9 12.437 -7.104 -8.150 64 HB2 LYS 9 2HB LYS 9 14.253 -8.719 -8.963 65 HB3 LYS 9 1HB LYS 9 13.029 -9.967 -8.880 66 HG2 LYS 9 2HG LYS 9 12.484 -7.482 -10.425 67 HG3 LYS 9 1HG LYS 9 13.547 -8.712 -11.097 68 HD2 LYS 9 2HD LYS 9 11.806 -10.363 -10.994 69 HD3 LYS 9 1HD LYS 9 10.753 -9.257 -10.111 70 HE2 LYS 9 2HE LYS 9 10.731 -7.761 -12.070 71 HE3 LYS 9 1HE LYS 9 11.719 -8.927 -12.949 72 HZ1 LYS 9 3HZ LYS 9 9.421 -9.191 -13.541 73 HZ2 LYS 9 1HZ LYS 9 8.963 -9.378 -11.917 74 HZ3 LYS 9 2HZ LYS 9 9.920 -10.555 -12.668 75 H GLU 10 HN GLU 10 10.388 -7.548 -9.059 76 HA GLU 10 HA GLU 10 8.374 -8.371 -7.446 77 HB2 GLU 10 2HB GLU 10 8.297 -6.914 -9.408 78 HB3 GLU 10 1HB GLU 10 8.610 -8.284 -10.455 79 HG2 GLU 10 2HG GLU 10 6.337 -8.552 -8.687 80 HG3 GLU 10 1HG GLU 10 6.225 -7.266 -9.878 81 H GLY 11 HN GLY 11 6.836 -10.193 -7.875 82 HA2 GLY 11 2HA GLY 11 7.710 -12.570 -9.126 83 HA3 GLY 11 1HA GLY 11 8.101 -12.623 -7.418 84 H ASP 12 HN ASP 12 6.616 -14.535 -7.936 85 HA ASP 12 HA ASP 12 3.846 -14.191 -8.277 86 HB2 ASP 12 2HB ASP 12 5.348 -16.448 -6.936 87 HB3 ASP 12 1HB ASP 12 3.656 -16.511 -7.415 88 H GLU 13 HN GLU 13 5.882 -14.353 -5.451 89 HA GLU 13 HA GLU 13 3.545 -14.137 -3.685 90 HB2 GLU 13 2HB GLU 13 6.448 -14.535 -2.940 91 HB3 GLU 13 1HB GLU 13 5.054 -14.715 -1.882 92 HG2 GLU 13 2HG GLU 13 4.282 -16.608 -3.210 93 HG3 GLU 13 1HG GLU 13 5.667 -16.422 -4.283 94 H VAL 14 HN VAL 14 5.213 -12.071 -5.390 95 HA VAL 14 HA VAL 14 5.618 -10.082 -3.259 96 HB VAL 14 HB VAL 14 6.784 -10.091 -6.052 97 HG11 VAL 14 1HG1 VAL 14 6.543 -7.861 -5.094 98 HG12 VAL 14 2HG1 VAL 14 8.240 -8.323 -5.219 99 HG13 VAL 14 3HG1 VAL 14 7.424 -8.380 -3.656 100 HG21 VAL 14 3HG2 VAL 14 7.706 -11.937 -4.777 101 HG22 VAL 14 1HG2 VAL 14 8.070 -10.856 -3.432 102 HG23 VAL 14 2HG2 VAL 14 8.918 -10.670 -4.968 103 H ALA 15 HN ALA 15 4.556 -8.162 -3.351 104 HA ALA 15 HA ALA 15 3.068 -7.494 -5.799 105 HB1 ALA 15 1HB ALA 15 1.477 -8.501 -4.215 106 HB2 ALA 15 2HB ALA 15 1.128 -6.798 -4.516 107 HB3 ALA 15 3HB ALA 15 1.919 -7.284 -3.017 108 H ASP 16 HN ASP 16 3.117 -5.366 -6.334 109 HA ASP 16 HA ASP 16 4.684 -3.618 -4.595 110 HB2 ASP 16 2HB ASP 16 3.820 -3.259 -7.466 111 HB3 ASP 16 1HB ASP 16 4.799 -2.122 -6.559 112 H VAL 17 HN VAL 17 3.877 -1.843 -3.697 113 HA VAL 17 HA VAL 17 1.087 -1.099 -4.312 114 HB VAL 17 HB VAL 17 2.382 -0.696 -1.626 115 HG11 VAL 17 1HG1 VAL 17 0.088 -0.369 -0.851 116 HG12 VAL 17 2HG1 VAL 17 -0.500 -0.627 -2.493 117 HG13 VAL 17 3HG1 VAL 17 0.512 0.770 -2.130 118 HG21 VAL 17 3HG2 VAL 17 1.113 -2.617 -0.794 119 HG22 VAL 17 1HG2 VAL 17 2.279 -3.099 -2.026 120 HG23 VAL 17 2HG2 VAL 17 0.568 -2.963 -2.435 121 H THR 18 HN THR 18 0.820 0.932 -4.882 122 HA THR 18 HA THR 18 3.080 2.781 -4.554 123 HB THR 18 HB THR 18 1.036 2.718 -6.783 124 HG1 THR 18 1HG THR 18 3.819 2.086 -6.809 125 HG21 THR 18 3HG2 THR 18 1.768 4.991 -6.343 126 HG22 THR 18 1HG2 THR 18 2.504 4.414 -7.839 127 HG23 THR 18 2HG2 THR 18 3.457 4.479 -6.355 128 H ILE 19 HN ILE 19 2.645 4.261 -3.082 129 HA ILE 19 HA ILE 19 -0.136 5.073 -2.620 130 HB ILE 19 HB ILE 19 2.236 5.950 -0.993 131 HG12 ILE 19 2HG1 ILE 19 0.525 3.507 -0.480 132 HG13 ILE 19 1HG1 ILE 19 2.180 3.459 -1.082 133 HG21 ILE 19 1HG2 ILE 19 0.145 7.182 -0.698 134 HG22 ILE 19 2HG2 ILE 19 0.578 6.285 0.758 135 HG23 ILE 19 3HG2 ILE 19 -0.685 5.675 -0.310 136 HD11 ILE 19 3HD1 ILE 19 2.945 4.524 0.991 137 HD12 ILE 19 1HD1 ILE 19 2.117 2.994 1.289 138 HD13 ILE 19 2HD1 ILE 19 1.285 4.519 1.588 139 H PHE 20 HN PHE 20 -0.824 7.081 -3.067 140 HA PHE 20 HA PHE 20 1.100 9.092 -3.891 141 HD1 PHE 20 1HD PHE 20 -0.519 5.955 -5.909 142 HD2 PHE 20 2HD PHE 20 -2.739 9.585 -5.796 143 HE1 PHE 20 1HE PHE 20 -2.571 4.709 -6.430 144 HE2 PHE 20 2HE PHE 20 -4.798 8.341 -6.316 145 HZ PHE 20 HZ PHE 20 -4.715 5.901 -6.632 146 HB2 PHE 20 2HB PHE 20 -0.341 9.607 -5.897 147 HB3 PHE 20 1HB PHE 20 0.591 8.124 -5.997 148 H ALA 21 HN ALA 21 0.492 11.145 -3.520 149 HA ALA 21 HA ALA 21 -2.184 11.962 -2.992 150 HB1 ALA 21 1HB ALA 21 -1.809 10.792 -0.888 151 HB2 ALA 21 2HB ALA 21 -1.899 12.531 -0.613 152 HB3 ALA 21 3HB ALA 21 -0.334 11.718 -0.614 153 H GLU 22 HN GLU 22 -1.791 14.230 -1.535 154 HA GLU 22 HA GLU 22 -0.087 15.760 -3.349 155 HB2 GLU 22 2HB GLU 22 -2.262 16.547 -1.417 156 HB3 GLU 22 1HB GLU 22 -1.284 17.720 -2.286 157 HG2 GLU 22 2HG GLU 22 -2.783 15.592 -3.757 158 HG3 GLU 22 1HG GLU 22 -3.588 17.064 -3.220 159 H THR 23 HN THR 23 -0.027 14.506 -0.186 160 HA THR 23 HA THR 23 2.185 16.312 0.510 161 HB THR 23 HB THR 23 1.434 16.011 2.928 162 HG1 THR 23 1HG THR 23 -0.695 15.399 3.265 163 HG21 THR 23 3HG2 THR 23 -0.206 17.837 2.792 164 HG22 THR 23 1HG2 THR 23 -0.340 17.578 1.052 165 HG23 THR 23 2HG2 THR 23 1.183 18.130 1.748 166 H LYS 24 HN LYS 24 3.929 15.403 1.502 167 HA LYS 24 HA LYS 24 4.488 12.651 1.311 168 HB2 LYS 24 2HB LYS 24 6.233 14.376 1.491 169 HB3 LYS 24 1HB LYS 24 5.699 14.764 3.117 170 HG2 LYS 24 2HG LYS 24 6.209 12.277 3.620 171 HG3 LYS 24 1HG LYS 24 7.169 12.357 2.143 172 HD2 LYS 24 2HD LYS 24 8.448 14.221 3.062 173 HD3 LYS 24 1HD LYS 24 7.472 14.175 4.532 174 HE2 LYS 24 2HE LYS 24 8.246 11.822 4.868 175 HE3 LYS 24 1HE LYS 24 9.347 12.050 3.511 176 HZ1 LYS 24 3HZ LYS 24 10.344 13.922 4.747 177 HZ2 LYS 24 1HZ LYS 24 10.513 12.430 5.547 178 HZ3 LYS 24 2HZ LYS 24 9.352 13.549 6.072 179 H ASP 25 HN ASP 25 3.312 14.681 3.889 180 HA ASP 25 HA ASP 25 3.302 12.978 6.060 181 HB2 ASP 25 2HB ASP 25 2.697 15.307 6.253 182 HB3 ASP 25 1HB ASP 25 1.281 15.073 5.239 183 H ALA 26 HN ALA 26 0.820 13.291 3.523 184 HA ALA 26 HA ALA 26 -0.959 11.388 4.625 185 HB1 ALA 26 1HB ALA 26 -0.632 12.180 1.729 186 HB2 ALA 26 2HB ALA 26 -1.632 13.021 2.913 187 HB3 ALA 26 3HB ALA 26 -2.029 11.370 2.439 188 H LEU 27 HN LEU 27 1.597 11.123 2.188 189 HA LEU 27 HA LEU 27 1.415 8.419 1.584 190 HG LEU 27 HG LEU 27 2.719 8.545 -0.567 191 HB2 LEU 27 2HB LEU 27 3.598 10.443 1.611 192 HB3 LEU 27 1HB LEU 27 4.071 8.768 1.483 193 HD11 LEU 27 1HD1 LEU 27 1.794 10.520 -1.642 194 HD12 LEU 27 2HD1 LEU 27 2.252 11.504 -0.252 195 HD13 LEU 27 3HD1 LEU 27 1.033 10.243 -0.075 196 HD21 LEU 27 3HD2 LEU 27 4.158 9.905 -2.000 197 HD22 LEU 27 1HD2 LEU 27 5.080 9.127 -0.714 198 HD23 LEU 27 2HD2 LEU 27 4.675 10.840 -0.598 199 H GLU 28 HN GLU 28 3.320 9.996 4.141 200 HA GLU 28 HA GLU 28 4.409 7.671 5.242 201 HB2 GLU 28 2HB GLU 28 3.831 10.370 6.450 202 HB3 GLU 28 1HB GLU 28 4.769 9.127 7.248 203 HG2 GLU 28 2HG GLU 28 6.316 9.157 5.278 204 HG3 GLU 28 1HG GLU 28 5.434 10.575 4.711 205 H SER 29 HN SER 29 1.420 9.417 5.995 206 HA SER 29 HA SER 29 0.731 7.929 8.285 207 HG SER 29 HG SER 29 0.555 10.689 7.378 208 HB2 SER 29 2HB SER 29 -1.050 9.388 6.318 209 HB3 SER 29 1HB SER 29 -1.537 8.838 7.918 210 H GLU 30 HN GLU 30 -0.151 7.532 4.867 211 HA GLU 30 HA GLU 30 -1.802 5.284 5.315 212 HB2 GLU 30 2HB GLU 30 -0.498 6.480 2.886 213 HB3 GLU 30 1HB GLU 30 -1.576 5.114 2.813 214 HG2 GLU 30 2HG GLU 30 -2.173 7.935 3.556 215 HG3 GLU 30 1HG GLU 30 -2.953 6.923 2.341 216 H LEU 31 HN LEU 31 1.570 5.740 4.381 217 HA LEU 31 HA LEU 31 2.272 3.105 3.794 218 HG LEU 31 HG LEU 31 5.013 2.903 5.084 219 HB2 LEU 31 2HB LEU 31 3.711 5.129 3.511 220 HB3 LEU 31 1HB LEU 31 3.960 5.147 5.240 221 HD11 LEU 31 1HD1 LEU 31 3.954 2.129 3.036 222 HD12 LEU 31 2HD1 LEU 31 5.710 2.077 2.889 223 HD13 LEU 31 3HD1 LEU 31 4.800 3.371 2.111 224 HD21 LEU 31 3HD2 LEU 31 6.278 5.035 3.367 225 HD22 LEU 31 1HD2 LEU 31 7.115 3.692 4.142 226 HD23 LEU 31 2HD2 LEU 31 6.360 4.946 5.128 227 H ALA 32 HN ALA 32 2.356 4.854 6.860 228 HA ALA 32 HA ALA 32 3.255 2.841 8.535 229 HB1 ALA 32 1HB ALA 32 1.238 4.990 9.172 230 HB2 ALA 32 2HB ALA 32 2.993 5.153 9.256 231 HB3 ALA 32 3HB ALA 32 2.155 4.055 10.353 232 H LYS 33 HN LYS 33 -0.087 3.518 7.497 233 HA LYS 33 HA LYS 33 -1.313 1.519 9.064 234 HB2 LYS 33 2HB LYS 33 -2.180 2.728 6.430 235 HB3 LYS 33 1HB LYS 33 -3.190 1.749 7.471 236 HG2 LYS 33 2HG LYS 33 -2.963 3.457 9.243 237 HG3 LYS 33 1HG LYS 33 -2.051 4.456 8.106 238 HD2 LYS 33 2HD LYS 33 -3.978 4.452 6.579 239 HD3 LYS 33 1HD LYS 33 -4.886 3.486 7.742 240 HE2 LYS 33 2HE LYS 33 -5.575 5.743 8.012 241 HE3 LYS 33 1HE LYS 33 -4.566 5.336 9.397 242 HZ1 LYS 33 3HZ LYS 33 -3.592 6.786 6.989 243 HZ2 LYS 33 1HZ LYS 33 -2.744 6.519 8.437 244 HZ3 LYS 33 2HZ LYS 33 -4.093 7.538 8.422 245 H TYR 34 HN TYR 34 0.002 1.501 5.786 246 HA TYR 34 HA TYR 34 -0.896 -1.117 5.157 247 HD1 TYR 34 2HD TYR 34 -2.233 -0.388 3.990 248 HD2 TYR 34 1HD TYR 34 0.797 1.836 1.998 249 HE1 TYR 34 2HE TYR 34 -3.961 0.840 2.745 250 HE2 TYR 34 1HE TYR 34 -0.922 3.070 0.748 251 HH TYR 34 HH TYR 34 -4.134 3.110 1.597 252 HB2 TYR 34 2HB TYR 34 1.331 0.531 3.950 253 HB3 TYR 34 1HB TYR 34 0.742 -0.988 3.283 254 H ILE 35 HN ILE 35 2.096 0.149 6.545 255 HA ILE 35 HA ILE 35 3.457 -2.339 6.638 256 HB ILE 35 HB ILE 35 3.757 0.083 8.435 257 HG12 ILE 35 2HG1 ILE 35 5.356 -0.790 6.017 258 HG13 ILE 35 1HG1 ILE 35 4.171 0.511 6.034 259 HG21 ILE 35 1HG2 ILE 35 4.663 -1.912 9.498 260 HG22 ILE 35 2HG2 ILE 35 5.959 -0.825 9.003 261 HG23 ILE 35 3HG2 ILE 35 5.610 -2.270 8.053 262 HD11 ILE 35 3HD1 ILE 35 6.435 1.379 6.148 263 HD12 ILE 35 1HD1 ILE 35 6.735 0.441 7.610 264 HD13 ILE 35 2HD1 ILE 35 5.548 1.745 7.627 265 H GLU 36 HN GLU 36 1.197 -0.715 8.784 266 HA GLU 36 HA GLU 36 1.327 -2.522 10.927 267 HB2 GLU 36 2HB GLU 36 -0.636 -0.483 9.961 268 HB3 GLU 36 1HB GLU 36 -1.070 -1.539 11.280 269 HG2 GLU 36 2HG GLU 36 1.261 0.347 11.198 270 HG3 GLU 36 1HG GLU 36 -0.226 0.556 12.120 271 H LEU 37 HN LEU 37 -0.808 -2.355 8.103 272 HA LEU 37 HA LEU 37 -2.292 -4.683 8.732 273 HG LEU 37 HG LEU 37 -3.159 -1.964 7.485 274 HB2 LEU 37 2HB LEU 37 -1.719 -3.344 6.090 275 HB3 LEU 37 1HB LEU 37 -2.809 -4.705 6.265 276 HD11 LEU 37 1HD1 LEU 37 -4.634 -3.433 5.306 277 HD12 LEU 37 2HD1 LEU 37 -3.602 -2.016 5.107 278 HD13 LEU 37 3HD1 LEU 37 -5.118 -1.886 5.999 279 HD21 LEU 37 3HD2 LEU 37 -5.322 -2.794 8.266 280 HD22 LEU 37 1HD2 LEU 37 -3.996 -3.711 8.982 281 HD23 LEU 37 2HD2 LEU 37 -4.931 -4.403 7.656 282 H ALA 38 HN ALA 38 0.756 -4.123 7.123 283 HA ALA 38 HA ALA 38 1.045 -6.631 5.878 284 HB1 ALA 38 1HB ALA 38 3.186 -4.746 6.863 285 HB2 ALA 38 2HB ALA 38 2.425 -4.719 5.273 286 HB3 ALA 38 3HB ALA 38 3.431 -6.088 5.744 287 H LYS 39 HN LYS 39 1.815 -5.491 9.113 288 HA LYS 39 HA LYS 39 3.262 -7.758 9.964 289 HB2 LYS 39 2HB LYS 39 1.609 -5.805 11.575 290 HB3 LYS 39 1HB LYS 39 2.782 -6.933 12.235 291 HG2 LYS 39 2HG LYS 39 4.586 -5.808 11.182 292 HG3 LYS 39 1HG LYS 39 3.484 -4.805 10.236 293 HD2 LYS 39 2HD LYS 39 2.662 -3.784 12.321 294 HD3 LYS 39 1HD LYS 39 3.817 -4.761 13.232 295 HE2 LYS 39 2HE LYS 39 5.669 -3.697 12.072 296 HE3 LYS 39 1HE LYS 39 4.539 -2.755 11.100 297 HZ1 LYS 39 3HZ LYS 39 4.725 -2.598 14.057 298 HZ2 LYS 39 1HZ LYS 39 3.797 -1.600 13.044 299 HZ3 LYS 39 2HZ LYS 39 5.495 -1.524 12.999 300 H SER 40 HN SER 40 -0.175 -6.899 10.227 301 HA SER 40 HA SER 40 -0.996 -9.197 11.615 302 HG SER 40 HG SER 40 -2.704 -7.237 12.457 303 HB2 SER 40 2HB SER 40 -2.564 -7.495 9.662 304 HB3 SER 40 1HB SER 40 -3.247 -8.588 10.860 305 H VAL 41 HN VAL 41 -0.391 -8.612 8.217 306 HA VAL 41 HA VAL 41 -1.621 -11.106 7.397 307 HB VAL 41 HB VAL 41 -0.008 -9.102 5.801 308 HG11 VAL 41 1HG1 VAL 41 -1.701 -11.413 4.851 309 HG12 VAL 41 2HG1 VAL 41 0.061 -11.336 4.808 310 HG13 VAL 41 3HG1 VAL 41 -0.895 -10.225 3.825 311 HG21 VAL 41 3HG2 VAL 41 -2.100 -8.172 6.647 312 HG22 VAL 41 1HG2 VAL 41 -2.991 -9.535 5.968 313 HG23 VAL 41 2HG2 VAL 41 -2.170 -8.397 4.899 314 H CYS 42 HN CYS 42 1.635 -9.803 7.863 315 HA CYS 42 HA CYS 42 2.706 -12.512 7.719 316 HG CYS 42 HG CYS 42 5.064 -13.263 6.700 317 HB2 CYS 42 2HB CYS 42 2.848 -11.624 5.427 318 HB3 CYS 42 1HB CYS 42 3.738 -10.230 6.023 319 H ALA 43 HN ALA 43 3.839 -12.757 9.523 320 HA ALA 43 HA ALA 43 4.598 -10.616 11.196 321 HB1 ALA 43 1HB ALA 43 5.685 -12.303 12.568 322 HB2 ALA 43 2HB ALA 43 5.561 -13.472 11.252 323 HB3 ALA 43 3HB ALA 43 4.100 -12.865 12.032 324 H GLY 44 HN GLY 44 6.449 -12.676 8.991 325 HA2 GLY 44 2HA GLY 44 8.768 -10.889 9.377 326 HA3 GLY 44 1HA GLY 44 8.887 -12.582 8.908 327 H VAL 45 HN VAL 45 7.064 -9.756 7.776 328 HA VAL 45 HA VAL 45 7.156 -10.621 5.069 329 HB VAL 45 HB VAL 45 5.264 -9.331 5.821 330 HG11 VAL 45 1HG1 VAL 45 5.443 -6.956 6.416 331 HG12 VAL 45 2HG1 VAL 45 7.200 -7.081 6.337 332 HG13 VAL 45 3HG1 VAL 45 6.305 -7.997 7.549 333 HG21 VAL 45 3HG2 VAL 45 5.824 -9.113 3.477 334 HG22 VAL 45 1HG2 VAL 45 6.914 -7.774 3.839 335 HG23 VAL 45 2HG2 VAL 45 5.179 -7.588 4.087 336 H GLU 46 HN GLU 46 8.650 -10.281 3.570 337 HA GLU 46 HA GLU 46 10.800 -8.383 4.104 338 HB2 GLU 46 2HB GLU 46 10.436 -10.579 2.105 339 HB3 GLU 46 1HB GLU 46 11.659 -9.347 1.862 340 HG2 GLU 46 2HG GLU 46 11.456 -11.146 4.266 341 HG3 GLU 46 1HG GLU 46 12.560 -11.350 2.910 342 H TYR 47 HN TYR 47 10.815 -6.458 3.258 343 HA TYR 47 HA TYR 47 9.354 -5.931 0.809 344 HD1 TYR 47 1HD TYR 47 8.476 -6.093 4.803 345 HD2 TYR 47 2HD TYR 47 8.959 -2.250 3.044 346 HE1 TYR 47 1HE TYR 47 8.864 -5.129 7.031 347 HE2 TYR 47 2HE TYR 47 9.355 -1.277 5.266 348 HH TYR 47 HH TYR 47 8.829 -1.799 7.624 349 HB2 TYR 47 2HB TYR 47 8.112 -4.033 1.752 350 HB3 TYR 47 1HB TYR 47 7.651 -5.559 2.485 351 H ASN 48 HN ASN 48 9.916 -4.110 -0.276 352 HA ASN 48 HA ASN 48 12.128 -2.507 0.841 353 HB2 ASN 48 2HB ASN 48 11.699 -3.174 -2.084 354 HB3 ASN 48 1HB ASN 48 12.958 -2.135 -1.446 355 HD21 ASN 48 1HD2 ASN 48 13.416 -3.922 0.864 356 HD22 ASN 48 2HD2 ASN 48 14.298 -5.266 0.226 357 H VAL 49 HN VAL 49 12.187 -0.310 -0.307 358 HA VAL 49 HA VAL 49 9.643 0.659 -1.230 359 HB VAL 49 HB VAL 49 9.268 0.538 1.211 360 HG11 VAL 49 1HG1 VAL 49 11.592 0.874 1.928 361 HG12 VAL 49 2HG1 VAL 49 10.473 1.967 2.745 362 HG13 VAL 49 3HG1 VAL 49 11.487 2.564 1.430 363 HG21 VAL 49 3HG2 VAL 49 8.095 2.229 -0.078 364 HG22 VAL 49 1HG2 VAL 49 9.440 3.349 0.141 365 HG23 VAL 49 2HG2 VAL 49 8.486 2.834 1.532 366 H SER 50 HN SER 50 9.774 2.708 -2.144 367 HA SER 50 HA SER 50 12.362 3.575 -2.954 368 HG SER 50 HG SER 50 10.191 2.865 -4.455 369 HB2 SER 50 2HB SER 50 10.038 5.410 -3.205 370 HB3 SER 50 1HB SER 50 11.254 4.970 -4.401 371 H GLU 51 HN GLU 51 13.284 5.657 -2.547 372 HA GLU 51 HA GLU 51 12.741 6.589 0.168 373 HB2 GLU 51 2HB GLU 51 14.890 7.877 -0.121 374 HB3 GLU 51 1HB GLU 51 15.051 6.128 -0.133 375 HG2 GLU 51 2HG GLU 51 14.904 7.770 -2.642 376 HG3 GLU 51 1HG GLU 51 16.412 7.405 -1.814 377 H LEU 52 HN LEU 52 11.894 8.508 0.589 378 HA LEU 52 HA LEU 52 11.127 10.106 -1.745 379 HG LEU 52 HG LEU 52 9.890 8.103 1.046 380 HB2 LEU 52 2HB LEU 52 9.108 10.702 -0.264 381 HB3 LEU 52 1HB LEU 52 9.133 9.168 -1.099 382 HD11 LEU 52 1HD1 LEU 52 10.798 10.088 2.139 383 HD12 LEU 52 2HD1 LEU 52 9.553 9.323 3.127 384 HD13 LEU 52 3HD1 LEU 52 9.181 10.788 2.219 385 HD21 LEU 52 3HD2 LEU 52 7.250 9.558 1.103 386 HD22 LEU 52 1HD2 LEU 52 7.671 8.144 2.069 387 HD23 LEU 52 2HD2 LEU 52 7.570 8.014 0.313 388 H THR 53 HN THR 53 10.616 12.330 -1.356 389 HA THR 53 HA THR 53 12.100 13.519 0.899 390 HB THR 53 HB THR 53 12.190 15.579 -0.524 391 HG1 THR 53 1HG THR 53 11.853 14.478 -2.919 392 HG21 THR 53 3HG2 THR 53 13.963 14.800 -2.020 393 HG22 THR 53 1HG2 THR 53 13.452 13.130 -1.767 394 HG23 THR 53 2HG2 THR 53 14.114 14.063 -0.425 395 H GLU 54 HN GLU 54 10.994 16.054 0.789 396 HA GLU 54 HA GLU 54 8.394 15.572 1.913 397 HB2 GLU 54 2HB GLU 54 10.148 17.978 1.585 398 HB3 GLU 54 1HB GLU 54 8.467 18.167 2.042 399 HG2 GLU 54 2HG GLU 54 9.795 18.189 4.018 400 HG3 GLU 54 1HG GLU 54 8.882 16.682 3.986 401 H GLU 55 HN GLU 55 9.580 16.207 -1.171 402 HA GLU 55 HA GLU 55 7.076 17.436 -2.057 403 HB2 GLU 55 2HB GLU 55 9.711 17.088 -3.479 404 HB3 GLU 55 1HB GLU 55 8.282 17.823 -4.189 405 HG2 GLU 55 2HG GLU 55 8.348 19.482 -2.287 406 HG3 GLU 55 1HG GLU 55 9.949 18.840 -1.913 407 H SER 56 HN SER 56 8.365 14.382 -1.783 408 HA SER 56 HA SER 56 7.607 13.260 -4.264 409 HG SER 56 HG SER 56 9.815 11.821 -3.690 410 HB2 SER 56 2HB SER 56 7.973 11.922 -1.575 411 HB3 SER 56 1HB SER 56 7.865 11.097 -3.124 412 H LYS 57 HN LYS 57 5.656 12.885 -5.004 413 HA LYS 57 HA LYS 57 3.390 12.906 -3.160 414 HB2 LYS 57 2HB LYS 57 3.544 13.038 -6.169 415 HB3 LYS 57 1HB LYS 57 2.031 12.930 -5.280 416 HG2 LYS 57 2HG LYS 57 2.728 15.042 -4.085 417 HG3 LYS 57 1HG LYS 57 4.025 15.178 -5.279 418 HD2 LYS 57 2HD LYS 57 2.381 15.184 -7.078 419 HD3 LYS 57 1HD LYS 57 1.078 14.993 -5.905 420 HE2 LYS 57 2HE LYS 57 1.827 17.149 -4.869 421 HE3 LYS 57 1HE LYS 57 2.918 17.349 -6.240 422 HZ1 LYS 57 3HZ LYS 57 0.889 18.535 -6.654 423 HZ2 LYS 57 1HZ LYS 57 -0.043 17.150 -6.353 424 HZ3 LYS 57 2HZ LYS 57 0.968 17.216 -7.713 425 H GLU 58 HN GLU 58 5.423 10.684 -4.589 426 HA GLU 58 HA GLU 58 3.474 8.550 -4.183 427 HB2 GLU 58 2HB GLU 58 3.914 7.494 -6.306 428 HB3 GLU 58 1HB GLU 58 3.372 9.142 -6.596 429 HG2 GLU 58 2HG GLU 58 5.600 9.862 -7.078 430 HG3 GLU 58 1HG GLU 58 6.264 8.310 -6.571 431 H LEU 59 HN LEU 59 4.366 6.563 -3.681 432 HA LEU 59 HA LEU 59 7.205 6.131 -4.056 433 HG LEU 59 HG LEU 59 5.532 4.471 -1.206 434 HB2 LEU 59 2HB LEU 59 7.747 5.537 -1.840 435 HB3 LEU 59 1HB LEU 59 6.944 7.084 -1.726 436 HD11 LEU 59 1HD1 LEU 59 5.848 4.929 1.170 437 HD12 LEU 59 2HD1 LEU 59 6.839 6.332 0.770 438 HD13 LEU 59 3HD1 LEU 59 7.395 4.711 0.351 439 HD21 LEU 59 3HD2 LEU 59 4.098 6.396 -1.729 440 HD22 LEU 59 1HD2 LEU 59 4.866 7.308 -0.431 441 HD23 LEU 59 2HD2 LEU 59 3.915 5.871 -0.055 442 H THR 60 HN THR 60 7.741 3.934 -4.123 443 HA THR 60 HA THR 60 5.393 2.178 -4.386 444 HB THR 60 HB THR 60 8.090 1.911 -5.744 445 HG1 THR 60 1HG THR 60 6.874 3.651 -6.604 446 HG21 THR 60 3HG2 THR 60 7.010 0.174 -7.080 447 HG22 THR 60 1HG2 THR 60 5.515 0.382 -6.166 448 HG23 THR 60 2HG2 THR 60 6.958 -0.242 -5.368 449 H ALA 61 HN ALA 61 5.184 0.738 -2.845 450 HA ALA 61 HA ALA 61 7.582 -0.192 -1.414 451 HB1 ALA 61 1HB ALA 61 5.909 0.936 -0.014 452 HB2 ALA 61 2HB ALA 61 6.105 -0.759 0.430 453 HB3 ALA 61 3HB ALA 61 4.704 -0.251 -0.513 454 H ARG 62 HN ARG 62 8.202 -2.203 -1.746 455 HA ARG 62 HA ARG 62 6.405 -3.986 -3.236 456 HE ARG 62 HE ARG 62 8.163 -4.538 -6.300 457 HB2 ARG 62 2HB ARG 62 8.414 -3.482 -4.444 458 HB3 ARG 62 1HB ARG 62 9.414 -3.827 -3.043 459 HG2 ARG 62 2HG ARG 62 9.089 -6.136 -3.241 460 HG3 ARG 62 1HG ARG 62 7.722 -5.932 -4.341 461 HD2 ARG 62 2HD ARG 62 10.564 -5.143 -4.966 462 HD3 ARG 62 1HD ARG 62 9.805 -6.650 -5.483 463 HH11 ARG 62 1HH1 ARG 62 11.421 -5.673 -6.991 464 HH12 ARG 62 2HH1 ARG 62 11.343 -5.197 -8.666 465 HH21 ARG 62 1HH2 ARG 62 8.079 -3.926 -8.448 466 HH22 ARG 62 2HH2 ARG 62 9.445 -4.187 -9.491 467 H PHE 63 HN PHE 63 5.495 -5.578 -2.110 468 HA PHE 63 HA PHE 63 6.800 -6.409 0.403 469 HD1 PHE 63 1HD PHE 63 5.401 -5.720 2.928 470 HD2 PHE 63 2HD PHE 63 3.738 -3.936 -0.557 471 HE1 PHE 63 1HE PHE 63 5.249 -3.570 4.110 472 HE2 PHE 63 2HE PHE 63 3.587 -1.777 0.616 473 HZ PHE 63 HZ PHE 63 4.342 -1.595 2.952 474 HB2 PHE 63 2HB PHE 63 3.875 -6.313 -0.346 475 HB3 PHE 63 1HB PHE 63 4.481 -7.072 1.119 476 H LYS 64 HN LYS 64 7.317 -8.498 0.687 477 HA LYS 64 HA LYS 64 5.894 -10.517 -0.925 478 HB2 LYS 64 2HB LYS 64 8.288 -10.353 -1.570 479 HB3 LYS 64 1HB LYS 64 8.742 -10.695 0.094 480 HG2 LYS 64 2HG LYS 64 7.658 -12.887 -0.070 481 HG3 LYS 64 1HG LYS 64 7.232 -12.540 -1.747 482 HD2 LYS 64 2HD LYS 64 9.606 -12.368 -2.314 483 HD3 LYS 64 1HD LYS 64 10.035 -12.711 -0.636 484 HE2 LYS 64 2HE LYS 64 8.888 -14.893 -0.834 485 HE3 LYS 64 1HE LYS 64 8.566 -14.542 -2.532 486 HZ1 LYS 64 3HZ LYS 64 11.259 -14.761 -1.297 487 HZ2 LYS 64 1HZ LYS 64 10.944 -14.443 -2.933 488 HZ3 LYS 64 2HZ LYS 64 10.517 -15.939 -2.260 489 H PHE 65 HN PHE 65 4.692 -11.850 0.288 490 HA PHE 65 HA PHE 65 4.965 -11.597 3.199 491 HD1 PHE 65 1HD PHE 65 2.811 -10.062 4.255 492 HD2 PHE 65 2HD PHE 65 2.352 -10.680 0.070 493 HE1 PHE 65 1HE PHE 65 2.151 -7.708 3.983 494 HE2 PHE 65 2HE PHE 65 1.697 -8.325 -0.210 495 HZ PHE 65 HZ PHE 65 1.595 -6.838 1.750 496 HB2 PHE 65 2HB PHE 65 2.618 -12.529 1.534 497 HB3 PHE 65 1HB PHE 65 2.615 -12.324 3.283 498 H GLU 66 HN GLU 66 3.615 -13.709 4.131 499 HA GLU 66 HA GLU 66 5.343 -15.799 4.356 500 HB2 GLU 66 2HB GLU 66 2.332 -16.065 4.344 501 HB3 GLU 66 1HB GLU 66 3.475 -17.097 5.177 502 HG2 GLU 66 2HG GLU 66 3.207 -14.186 5.821 503 HG3 GLU 66 1HG GLU 66 2.179 -15.410 6.560 504 H VAL 67 HN VAL 67 2.507 -15.700 2.239 505 HA VAL 67 HA VAL 67 3.905 -17.234 0.199 506 HB VAL 67 HB VAL 67 1.920 -18.693 -0.181 507 HG11 VAL 67 1HG1 VAL 67 3.850 -19.575 1.005 508 HG12 VAL 67 2HG1 VAL 67 2.359 -20.258 1.656 509 HG13 VAL 67 3HG1 VAL 67 3.201 -18.982 2.534 510 HG21 VAL 67 3HG2 VAL 67 1.015 -17.665 2.505 511 HG22 VAL 67 1HG2 VAL 67 0.260 -18.966 1.583 512 HG23 VAL 67 2HG2 VAL 67 0.249 -17.319 0.953 513 H SER 68 HN SER 68 2.291 -17.368 -1.799 514 HA SER 68 HA SER 68 1.795 -14.678 -2.506 515 HG SER 68 HG SER 68 1.002 -17.960 -3.042 516 HB2 SER 68 2HB SER 68 0.845 -15.677 -4.600 517 HB3 SER 68 1HB SER 68 2.475 -16.208 -4.212 518 H ALA 69 HN ALA 69 -0.182 -17.101 -1.111 519 HA ALA 69 HA ALA 69 -2.724 -16.052 -1.787 520 HB1 ALA 69 1HB ALA 69 -1.952 -17.670 0.637 521 HB2 ALA 69 2HB ALA 69 -2.371 -18.336 -0.942 522 HB3 ALA 69 3HB ALA 69 -3.579 -17.454 -0.006 523 H GLU 70 HN GLU 70 -0.499 -15.439 0.886 524 HA GLU 70 HA GLU 70 -2.218 -13.841 2.437 525 HB2 GLU 70 2HB GLU 70 0.790 -13.622 2.256 526 HB3 GLU 70 1HB GLU 70 -0.227 -13.106 3.589 527 HG2 GLU 70 2HG GLU 70 0.268 -15.930 2.699 528 HG3 GLU 70 1HG GLU 70 0.905 -15.152 4.143 529 H LYS 71 HN LYS 71 -0.122 -13.167 -0.280 530 HA LYS 71 HA LYS 71 -0.073 -10.396 -0.344 531 HB2 LYS 71 2HB LYS 71 1.062 -11.883 -1.989 532 HB3 LYS 71 1HB LYS 71 -0.494 -12.238 -2.708 533 HG2 LYS 71 2HG LYS 71 -0.573 -9.571 -2.823 534 HG3 LYS 71 1HG LYS 71 1.171 -9.811 -2.907 535 HD2 LYS 71 2HD LYS 71 -0.802 -11.216 -4.699 536 HD3 LYS 71 1HD LYS 71 0.001 -9.704 -5.123 537 HE2 LYS 71 2HE LYS 71 2.179 -10.833 -4.851 538 HE3 LYS 71 1HE LYS 71 1.328 -12.345 -4.536 539 HZ1 LYS 71 3HZ LYS 71 1.017 -10.764 -7.029 540 HZ2 LYS 71 1HZ LYS 71 0.418 -12.320 -6.724 541 HZ3 LYS 71 2HZ LYS 71 2.085 -12.070 -6.865 542 H LEU 72 HN LEU 72 -2.323 -12.540 -1.958 543 HA LEU 72 HA LEU 72 -4.137 -10.736 -2.962 544 HG LEU 72 HG LEU 72 -3.022 -13.592 -3.635 545 HB2 LEU 72 2HB LEU 72 -4.716 -13.484 -1.858 546 HB3 LEU 72 1HB LEU 72 -5.776 -12.580 -2.919 547 HD11 LEU 72 1HD1 LEU 72 -4.226 -15.108 -5.131 548 HD12 LEU 72 2HD1 LEU 72 -5.762 -14.502 -4.511 549 HD13 LEU 72 3HD1 LEU 72 -4.665 -15.383 -3.445 550 HD21 LEU 72 3HD2 LEU 72 -3.576 -12.856 -5.898 551 HD22 LEU 72 1HD2 LEU 72 -3.550 -11.500 -4.771 552 HD23 LEU 72 2HD2 LEU 72 -5.091 -12.171 -5.309 553 H ILE 73 HN ILE 73 -4.248 -12.306 0.230 554 HA ILE 73 HA ILE 73 -6.625 -11.104 1.133 555 HB ILE 73 HB ILE 73 -4.250 -11.977 2.797 556 HG12 ILE 73 2HG1 ILE 73 -6.730 -13.504 1.971 557 HG13 ILE 73 1HG1 ILE 73 -5.114 -13.757 1.318 558 HG21 ILE 73 1HG2 ILE 73 -7.139 -11.541 3.548 559 HG22 ILE 73 2HG2 ILE 73 -5.761 -10.566 4.061 560 HG23 ILE 73 3HG2 ILE 73 -5.907 -12.239 4.600 561 HD11 ILE 73 3HD1 ILE 73 -5.992 -14.221 4.156 562 HD12 ILE 73 1HD1 ILE 73 -4.342 -14.399 3.560 563 HD13 ILE 73 2HD1 ILE 73 -5.618 -15.450 2.947 564 H PHE 74 HN PHE 74 -3.241 -10.061 1.461 565 HA PHE 74 HA PHE 74 -3.740 -7.747 2.982 566 HD1 PHE 74 2HD PHE 74 -1.528 -6.714 4.346 567 HD2 PHE 74 1HD PHE 74 -0.884 -6.229 0.167 568 HE1 PHE 74 2HE PHE 74 -0.565 -4.488 4.755 569 HE2 PHE 74 1HE PHE 74 0.081 -4.003 0.570 570 HZ PHE 74 HZ PHE 74 0.244 -3.128 2.867 571 HB2 PHE 74 2HB PHE 74 -1.486 -8.654 2.746 572 HB3 PHE 74 1HB PHE 74 -1.510 -8.329 1.017 573 H GLU 75 HN GLU 75 -3.407 -8.213 -0.520 574 HA GLU 75 HA GLU 75 -3.844 -5.606 -1.373 575 HB2 GLU 75 2HB GLU 75 -4.569 -8.254 -2.629 576 HB3 GLU 75 1HB GLU 75 -4.763 -6.720 -3.463 577 HG2 GLU 75 2HG GLU 75 -2.115 -7.450 -2.303 578 HG3 GLU 75 1HG GLU 75 -2.631 -8.149 -3.837 579 H LEU 76 HN LEU 76 -6.215 -8.183 -0.734 580 HA LEU 76 HA LEU 76 -8.518 -6.832 -1.457 581 HG LEU 76 HG LEU 76 -7.724 -9.691 -1.828 582 HB2 LEU 76 2HB LEU 76 -7.936 -9.017 0.519 583 HB3 LEU 76 1HB LEU 76 -9.553 -8.455 0.218 584 HD11 LEU 76 1HD1 LEU 76 -10.195 -10.773 -0.484 585 HD12 LEU 76 2HD1 LEU 76 -8.539 -11.304 -0.196 586 HD13 LEU 76 3HD1 LEU 76 -9.287 -11.566 -1.772 587 HD21 LEU 76 3HD2 LEU 76 -9.204 -8.037 -2.832 588 HD22 LEU 76 1HD2 LEU 76 -10.595 -8.799 -2.063 589 HD23 LEU 76 2HD2 LEU 76 -9.682 -9.669 -3.297 590 H LYS 77 HN LYS 77 -6.890 -6.998 1.703 591 HA LYS 77 HA LYS 77 -8.868 -5.382 2.982 592 HB2 LYS 77 2HB LYS 77 -6.138 -6.325 3.837 593 HB3 LYS 77 1HB LYS 77 -7.129 -5.280 4.846 594 HG2 LYS 77 2HG LYS 77 -8.942 -7.005 4.696 595 HG3 LYS 77 1HG LYS 77 -7.776 -8.062 3.906 596 HD2 LYS 77 2HD LYS 77 -7.312 -6.831 6.614 597 HD3 LYS 77 1HD LYS 77 -8.080 -8.401 6.392 598 HE2 LYS 77 2HE LYS 77 -6.042 -9.126 5.140 599 HE3 LYS 77 1HE LYS 77 -5.289 -7.599 5.597 600 HZ1 LYS 77 3HZ LYS 77 -5.459 -8.184 7.900 601 HZ2 LYS 77 1HZ LYS 77 -4.723 -9.479 7.081 602 HZ3 LYS 77 2HZ LYS 77 -6.351 -9.582 7.537 603 H THR 78 HN THR 78 -5.802 -4.746 1.413 604 HA THR 78 HA THR 78 -5.498 -2.069 2.240 605 HB THR 78 HB THR 78 -4.580 -3.367 -0.329 606 HG1 THR 78 1HG THR 78 -3.597 -4.433 1.322 607 HG21 THR 78 3HG2 THR 78 -2.908 -1.582 -0.406 608 HG22 THR 78 1HG2 THR 78 -3.609 -0.855 1.040 609 HG23 THR 78 2HG2 THR 78 -4.539 -0.915 -0.456 610 H ARG 79 HN ARG 79 -7.021 -3.476 -0.654 611 HA ARG 79 HA ARG 79 -7.840 -1.122 -1.873 612 HE ARG 79 HE ARG 79 -5.273 -2.911 -4.658 613 HB2 ARG 79 2HB ARG 79 -9.081 -3.875 -1.847 614 HB3 ARG 79 1HB ARG 79 -9.565 -2.590 -2.930 615 HG2 ARG 79 2HG ARG 79 -6.809 -3.779 -2.808 616 HG3 ARG 79 1HG ARG 79 -8.053 -4.209 -3.985 617 HD2 ARG 79 2HD ARG 79 -8.069 -1.967 -4.857 618 HD3 ARG 79 1HD ARG 79 -6.944 -1.435 -3.609 619 HH11 ARG 79 1HH1 ARG 79 -8.089 -1.977 -6.528 620 HH12 ARG 79 2HH1 ARG 79 -7.287 -2.130 -8.064 621 HH21 ARG 79 1HH2 ARG 79 -4.217 -3.155 -6.676 622 HH22 ARG 79 2HH2 ARG 79 -5.084 -2.818 -8.149 623 H SER 80 HN SER 80 -9.480 -3.144 0.531 624 HA SER 80 HA SER 80 -11.873 -1.680 0.587 625 HG SER 80 HG SER 80 -10.874 -4.770 1.004 626 HB2 SER 80 2HB SER 80 -10.649 -3.455 2.704 627 HB3 SER 80 1HB SER 80 -12.339 -2.986 2.590 628 H LEU 81 HN LEU 81 -8.872 -1.424 2.414 629 HA LEU 81 HA LEU 81 -9.867 0.377 4.358 630 HG LEU 81 HG LEU 81 -6.972 1.841 4.071 631 HB2 LEU 81 2HB LEU 81 -7.977 -0.811 5.028 632 HB3 LEU 81 1HB LEU 81 -7.164 -0.571 3.492 633 HD11 LEU 81 1HD1 LEU 81 -7.812 0.872 6.800 634 HD12 LEU 81 2HD1 LEU 81 -8.705 1.984 5.762 635 HD13 LEU 81 3HD1 LEU 81 -7.152 2.467 6.441 636 HD21 LEU 81 3HD2 LEU 81 -5.104 0.281 4.284 637 HD22 LEU 81 1HD2 LEU 81 -5.598 -0.080 5.937 638 HD23 LEU 81 2HD2 LEU 81 -5.044 1.542 5.516 639 H ALA 82 HN ALA 82 -8.206 0.707 1.265 640 HA ALA 82 HA ALA 82 -7.938 3.567 1.590 641 HB1 ALA 82 1HB ALA 82 -6.165 2.287 0.486 642 HB2 ALA 82 2HB ALA 82 -6.832 3.525 -0.580 643 HB3 ALA 82 3HB ALA 82 -7.296 1.838 -0.790 644 H ARG 83 HN ARG 83 -10.543 1.893 1.093 645 HA ARG 83 HA ARG 83 -11.577 3.542 -1.099 646 HE ARG 83 HE ARG 83 -15.295 0.195 -0.494 647 HB2 ARG 83 2HB ARG 83 -11.852 1.058 -1.262 648 HB3 ARG 83 1HB ARG 83 -12.895 1.131 0.153 649 HG2 ARG 83 2HG ARG 83 -14.523 2.420 -1.011 650 HG3 ARG 83 1HG ARG 83 -13.433 2.665 -2.375 651 HD2 ARG 83 2HD ARG 83 -15.019 1.002 -2.999 652 HD3 ARG 83 1HD ARG 83 -13.466 0.206 -2.758 653 HH11 ARG 83 1HH1 ARG 83 -13.965 -1.518 -3.247 654 HH12 ARG 83 2HH1 ARG 83 -14.550 -3.065 -2.715 655 HH21 ARG 83 1HH2 ARG 83 -16.068 -1.834 0.196 656 HH22 ARG 83 2HH2 ARG 83 -15.737 -3.253 -0.761 657 H LEU 84 HN LEU 84 -12.383 2.480 2.185 658 HA LEU 84 HA LEU 84 -14.136 4.825 2.389 659 HG LEU 84 HG LEU 84 -15.275 1.975 1.772 660 HB2 LEU 84 2HB LEU 84 -14.202 2.246 3.948 661 HB3 LEU 84 1HB LEU 84 -15.215 3.631 4.294 662 HD11 LEU 84 1HD1 LEU 84 -17.222 2.234 4.058 663 HD12 LEU 84 2HD1 LEU 84 -16.233 0.823 3.676 664 HD13 LEU 84 3HD1 LEU 84 -17.507 1.334 2.569 665 HD21 LEU 84 3HD2 LEU 84 -15.776 4.304 1.282 666 HD22 LEU 84 1HD2 LEU 84 -16.956 4.343 2.593 667 HD23 LEU 84 2HD2 LEU 84 -17.238 3.324 1.182 668 H GLU 85 HN GLU 85 -11.190 4.231 2.891 669 HA GLU 85 HA GLU 85 -9.512 4.800 4.318 670 HB2 GLU 85 2HB GLU 85 -11.522 6.869 5.225 671 HB3 GLU 85 1HB GLU 85 -9.782 6.946 5.460 672 HG2 GLU 85 2HG GLU 85 -9.460 7.047 3.041 673 HG3 GLU 85 1HG GLU 85 -11.206 6.982 2.810 674 H HIS 86 HN HIS 86 -9.638 5.900 6.932 675 HA HIS 86 HA HIS 86 -11.436 4.400 8.572 676 HD1 HIS 86 1HD HIS 86 -10.763 1.528 7.175 677 HD2 HIS 86 2HD HIS 86 -10.499 2.059 11.287 678 HE1 HIS 86 1HE HIS 86 -12.011 -0.409 8.188 679 HE2 HIS 86 2HE HIS 86 -12.016 0.052 10.668 680 HB2 HIS 86 2HB HIS 86 -8.889 3.222 7.986 681 HB3 HIS 86 1HB HIS 86 -8.933 3.672 9.688 682 H HIS 87 HN HIS 87 -11.956 6.506 9.199 683 HA HIS 87 HA HIS 87 -9.930 8.113 10.525 684 HD1 HIS 87 1HD HIS 87 -10.597 11.272 9.228 685 HD2 HIS 87 2HD HIS 87 -12.476 8.061 7.358 686 HE1 HIS 87 1HE HIS 87 -10.442 11.732 6.757 687 HE2 HIS 87 2HE HIS 87 -11.538 9.754 5.635 688 HB2 HIS 87 2HB HIS 87 -12.902 8.598 10.185 689 HB3 HIS 87 1HB HIS 87 -11.753 9.748 10.856 690 H HIS 88 HN HIS 88 -9.716 8.336 12.712 691 HA HIS 88 HA HIS 88 -11.533 6.681 14.340 692 HD1 HIS 88 1HD HIS 88 -10.889 4.048 15.170 693 HD2 HIS 88 2HD HIS 88 -7.838 5.172 12.587 694 HE1 HIS 88 1HE HIS 88 -10.395 2.009 13.787 695 HE2 HIS 88 2HE HIS 88 -8.385 2.647 12.406 696 HB2 HIS 88 2HB HIS 88 -8.538 6.937 14.542 697 HB3 HIS 88 1HB HIS 88 -9.529 6.263 15.829 698 H HIS 89 HN HIS 89 -12.672 7.866 15.649 699 HA HIS 89 HA HIS 89 -11.224 9.773 17.355 700 HD1 HIS 89 1HD HIS 89 -15.153 12.146 17.637 701 HD2 HIS 89 2HD HIS 89 -11.028 12.072 18.169 702 HE1 HIS 89 1HE HIS 89 -14.650 13.948 19.324 703 HE2 HIS 89 2HE HIS 89 -12.174 13.760 19.758 704 HB2 HIS 89 2HB HIS 89 -12.690 10.965 15.647 705 HB3 HIS 89 1HB HIS 89 -14.076 10.231 16.449 706 H HIS 90 HN HIS 90 -12.877 6.990 17.044 707 HA HIS 90 HA HIS 90 -13.148 6.632 19.861 708 HD1 HIS 90 1HD HIS 90 -17.039 4.682 18.828 709 HD2 HIS 90 2HD HIS 90 -15.092 6.388 22.083 710 HE1 HIS 90 1HE HIS 90 -17.839 3.410 20.844 711 HE2 HIS 90 2HE HIS 90 -16.775 4.562 22.815 712 HB2 HIS 90 2HB HIS 90 -15.281 7.771 19.468 713 HB3 HIS 90 1HB HIS 90 -15.665 6.646 18.170 714 H HIS 91 HN HIS 91 -13.078 4.470 20.384 715 HA HIS 91 HA HIS 91 -12.997 2.588 18.123 716 HD1 HIS 91 1HD HIS 91 -11.711 -0.043 21.485 717 HD2 HIS 91 2HD HIS 91 -10.999 0.543 17.430 718 HE1 HIS 91 1HE HIS 91 -11.180 -2.320 20.554 719 HE2 HIS 91 2HE HIS 91 -10.515 -1.897 18.152 720 HB2 HIS 91 2HB HIS 91 -10.891 2.764 19.399 721 HB3 HIS 91 1HB HIS 91 -11.751 2.347 20.875 Start of MODEL 15 1 HA ALA 1 HA ALA 1 10.469 -7.067 -19.446 2 H1 ALA 1 1HT ALA 1 8.150 -8.263 -18.047 3 H2 ALA 1 2HT ALA 1 9.715 -8.095 -17.420 4 H3 ALA 1 3HT ALA 1 9.444 -9.117 -18.744 5 HB1 ALA 1 2HB ALA 1 7.581 -7.275 -20.298 6 HB2 ALA 1 3HB ALA 1 8.924 -8.198 -20.972 7 HB3 ALA 1 1HB ALA 1 8.869 -6.448 -21.176 8 H GLY 2 HN GLY 2 10.954 -5.241 -18.441 9 HA2 GLY 2 2HA GLY 2 10.306 -2.940 -18.018 10 HA3 GLY 2 1HA GLY 2 8.738 -3.538 -17.487 11 H GLU 3 HN GLU 3 12.095 -4.411 -16.749 12 HA GLU 3 HA GLU 3 11.433 -4.906 -14.005 13 HB2 GLU 3 2HB GLU 3 13.180 -6.154 -15.328 14 HB3 GLU 3 1HB GLU 3 14.177 -4.710 -15.233 15 HG2 GLU 3 2HG GLU 3 14.173 -4.865 -12.793 16 HG3 GLU 3 1HG GLU 3 13.197 -6.329 -12.894 17 H ILE 4 HN ILE 4 11.703 -3.635 -12.299 18 HA ILE 4 HA ILE 4 12.663 -0.913 -12.714 19 HB ILE 4 HB ILE 4 11.619 -0.873 -10.236 20 HG12 ILE 4 2HG1 ILE 4 9.433 -2.112 -10.348 21 HG13 ILE 4 1HG1 ILE 4 10.064 -2.976 -11.742 22 HG21 ILE 4 1HG2 ILE 4 10.095 -0.556 -12.809 23 HG22 ILE 4 2HG2 ILE 4 11.089 0.671 -12.022 24 HG23 ILE 4 3HG2 ILE 4 9.611 0.103 -11.246 25 HD11 ILE 4 3HD1 ILE 4 11.186 -3.039 -8.951 26 HD12 ILE 4 1HD1 ILE 4 11.856 -3.889 -10.344 27 HD13 ILE 4 2HD1 ILE 4 10.253 -4.310 -9.741 28 H GLY 5 HN GLY 5 13.806 0.074 -10.798 29 HA2 GLY 5 2HA GLY 5 16.066 -1.638 -10.217 30 HA3 GLY 5 1HA GLY 5 15.930 0.073 -9.873 31 H PHE 6 HN PHE 6 13.967 -2.684 -8.885 32 HA PHE 6 HA PHE 6 14.490 -1.971 -6.074 33 HD1 PHE 6 1HD PHE 6 11.769 -1.275 -8.558 34 HD2 PHE 6 2HD PHE 6 11.680 -1.623 -4.317 35 HE1 PHE 6 1HE PHE 6 10.466 0.811 -8.415 36 HE2 PHE 6 2HE PHE 6 10.381 0.458 -4.168 37 HZ PHE 6 HZ PHE 6 9.770 1.676 -6.219 38 HB2 PHE 6 2HB PHE 6 12.179 -3.462 -7.328 39 HB3 PHE 6 1HB PHE 6 12.455 -3.404 -5.597 40 H ILE 7 HN ILE 7 14.763 -3.758 -4.575 41 HA ILE 7 HA ILE 7 16.586 -5.707 -5.580 42 HB ILE 7 HB ILE 7 15.284 -5.561 -2.853 43 HG12 ILE 7 2HG1 ILE 7 17.985 -4.537 -3.762 44 HG13 ILE 7 1HG1 ILE 7 16.567 -3.524 -3.507 45 HG21 ILE 7 1HG2 ILE 7 16.220 -7.766 -3.335 46 HG22 ILE 7 2HG2 ILE 7 17.173 -6.931 -2.109 47 HG23 ILE 7 3HG2 ILE 7 17.761 -7.026 -3.769 48 HD11 ILE 7 3HD1 ILE 7 18.078 -3.417 -1.615 49 HD12 ILE 7 1HD1 ILE 7 17.968 -5.166 -1.411 50 HD13 ILE 7 2HD1 ILE 7 16.545 -4.156 -1.152 51 H ILE 8 HN ILE 8 13.382 -5.984 -4.050 52 HA ILE 8 HA ILE 8 13.171 -8.759 -4.816 53 HB ILE 8 HB ILE 8 11.126 -6.936 -3.530 54 HG12 ILE 8 2HG1 ILE 8 12.910 -9.042 -2.296 55 HG13 ILE 8 1HG1 ILE 8 13.229 -7.312 -2.225 56 HG21 ILE 8 1HG2 ILE 8 11.168 -9.942 -3.810 57 HG22 ILE 8 2HG2 ILE 8 10.085 -8.836 -4.656 58 HG23 ILE 8 3HG2 ILE 8 9.977 -9.009 -2.904 59 HD11 ILE 8 3HD1 ILE 8 11.146 -6.986 -0.987 60 HD12 ILE 8 1HD1 ILE 8 12.239 -8.096 -0.159 61 HD13 ILE 8 2HD1 ILE 8 10.848 -8.723 -1.044 62 H LYS 9 HN LYS 9 12.081 -9.583 -6.473 63 HA LYS 9 HA LYS 9 11.084 -7.695 -8.479 64 HB2 LYS 9 2HB LYS 9 12.222 -10.445 -8.568 65 HB3 LYS 9 1HB LYS 9 11.052 -10.015 -9.805 66 HG2 LYS 9 2HG LYS 9 13.337 -9.655 -10.561 67 HG3 LYS 9 1HG LYS 9 12.432 -8.143 -10.497 68 HD2 LYS 9 2HD LYS 9 13.492 -7.634 -8.326 69 HD3 LYS 9 1HD LYS 9 14.431 -9.124 -8.457 70 HE2 LYS 9 2HE LYS 9 15.534 -8.311 -10.432 71 HE3 LYS 9 1HE LYS 9 14.503 -6.882 -10.470 72 HZ1 LYS 9 3HZ LYS 9 16.643 -6.329 -9.560 73 HZ2 LYS 9 1HZ LYS 9 16.518 -7.545 -8.387 74 HZ3 LYS 9 2HZ LYS 9 15.480 -6.211 -8.333 75 H GLU 10 HN GLU 10 9.358 -9.063 -9.960 76 HA GLU 10 HA GLU 10 6.985 -8.984 -8.409 77 HB2 GLU 10 2HB GLU 10 7.487 -9.923 -11.236 78 HB3 GLU 10 1HB GLU 10 5.914 -9.608 -10.536 79 HG2 GLU 10 2HG GLU 10 6.337 -7.292 -10.366 80 HG3 GLU 10 1HG GLU 10 8.050 -7.516 -10.723 81 H GLY 11 HN GLY 11 5.357 -10.763 -8.476 82 HA2 GLY 11 2HA GLY 11 5.984 -13.432 -8.982 83 HA3 GLY 11 1HA GLY 11 6.366 -13.104 -7.295 84 H ASP 12 HN ASP 12 4.660 -14.743 -6.968 85 HA ASP 12 HA ASP 12 1.934 -13.704 -7.292 86 HB2 ASP 12 2HB ASP 12 2.918 -16.436 -6.426 87 HB3 ASP 12 1HB ASP 12 1.227 -15.983 -6.582 88 H GLU 13 HN GLU 13 4.398 -14.399 -5.032 89 HA GLU 13 HA GLU 13 2.677 -13.823 -2.733 90 HB2 GLU 13 2HB GLU 13 4.719 -14.454 -1.410 91 HB3 GLU 13 1HB GLU 13 4.072 -15.746 -2.409 92 HG2 GLU 13 2HG GLU 13 6.303 -14.022 -3.408 93 HG3 GLU 13 1HG GLU 13 6.624 -15.364 -2.315 94 H VAL 14 HN VAL 14 4.321 -12.136 -4.944 95 HA VAL 14 HA VAL 14 5.121 -10.042 -3.037 96 HB VAL 14 HB VAL 14 6.483 -10.609 -5.673 97 HG11 VAL 14 1HG1 VAL 14 6.565 -8.275 -4.968 98 HG12 VAL 14 2HG1 VAL 14 8.160 -9.024 -4.885 99 HG13 VAL 14 3HG1 VAL 14 7.229 -8.763 -3.409 100 HG21 VAL 14 3HG2 VAL 14 6.941 -12.424 -4.117 101 HG22 VAL 14 1HG2 VAL 14 7.422 -11.263 -2.881 102 HG23 VAL 14 2HG2 VAL 14 8.379 -11.431 -4.352 103 H ALA 15 HN ALA 15 4.315 -8.062 -3.418 104 HA ALA 15 HA ALA 15 3.290 -7.406 -6.082 105 HB1 ALA 15 1HB ALA 15 1.368 -8.272 -4.805 106 HB2 ALA 15 2HB ALA 15 1.191 -6.559 -5.187 107 HB3 ALA 15 3HB ALA 15 1.663 -7.055 -3.563 108 H ASP 16 HN ASP 16 3.215 -5.144 -6.499 109 HA ASP 16 HA ASP 16 4.678 -3.540 -4.535 110 HB2 ASP 16 2HB ASP 16 5.085 -1.962 -6.408 111 HB3 ASP 16 1HB ASP 16 5.788 -3.547 -6.662 112 H VAL 17 HN VAL 17 3.802 -1.846 -3.613 113 HA VAL 17 HA VAL 17 1.088 -1.060 -4.465 114 HB VAL 17 HB VAL 17 2.094 -0.872 -1.640 115 HG11 VAL 17 1HG1 VAL 17 -0.280 -0.634 -1.095 116 HG12 VAL 17 2HG1 VAL 17 -0.667 -0.724 -2.813 117 HG13 VAL 17 3HG1 VAL 17 0.284 0.626 -2.194 118 HG21 VAL 17 3HG2 VAL 17 2.058 -3.236 -2.262 119 HG22 VAL 17 1HG2 VAL 17 0.392 -3.064 -2.816 120 HG23 VAL 17 2HG2 VAL 17 0.778 -2.864 -1.106 121 H THR 18 HN THR 18 0.846 0.961 -4.939 122 HA THR 18 HA THR 18 2.959 2.860 -4.209 123 HB THR 18 HB THR 18 1.061 2.989 -6.566 124 HG1 THR 18 1HG THR 18 2.605 1.373 -6.903 125 HG21 THR 18 3HG2 THR 18 2.495 4.827 -7.336 126 HG22 THR 18 1HG2 THR 18 3.458 4.698 -5.866 127 HG23 THR 18 2HG2 THR 18 1.770 5.208 -5.773 128 H ILE 19 HN ILE 19 2.381 4.287 -2.728 129 HA ILE 19 HA ILE 19 -0.467 4.588 -2.111 130 HB ILE 19 HB ILE 19 1.923 5.466 -0.491 131 HG12 ILE 19 2HG1 ILE 19 0.204 3.000 -0.153 132 HG13 ILE 19 1HG1 ILE 19 1.833 3.004 -0.823 133 HG21 ILE 19 1HG2 ILE 19 -0.970 5.169 0.283 134 HG22 ILE 19 2HG2 ILE 19 -0.115 6.691 0.033 135 HG23 ILE 19 3HG2 ILE 19 0.346 5.627 1.363 136 HD11 ILE 19 3HD1 ILE 19 1.076 3.823 1.971 137 HD12 ILE 19 1HD1 ILE 19 2.707 3.811 1.300 138 HD13 ILE 19 2HD1 ILE 19 1.824 2.297 1.499 139 H PHE 20 HN PHE 20 -1.440 6.591 -1.973 140 HA PHE 20 HA PHE 20 0.060 8.812 -3.175 141 HD1 PHE 20 2HD PHE 20 -0.257 9.170 -6.014 142 HD2 PHE 20 1HD PHE 20 -2.717 5.999 -4.607 143 HE1 PHE 20 2HE PHE 20 0.356 7.832 -7.986 144 HE2 PHE 20 1HE PHE 20 -2.112 4.649 -6.574 145 HZ PHE 20 HZ PHE 20 -0.573 5.567 -8.270 146 HB2 PHE 20 2HB PHE 20 -2.853 8.152 -3.619 147 HB3 PHE 20 1HB PHE 20 -2.001 9.525 -4.298 148 H ALA 21 HN ALA 21 -0.144 10.738 -2.270 149 HA ALA 21 HA ALA 21 -2.296 11.533 -0.587 150 HB1 ALA 21 1HB ALA 21 0.349 10.931 0.737 151 HB2 ALA 21 2HB ALA 21 -1.204 10.173 1.079 152 HB3 ALA 21 3HB ALA 21 -0.948 11.872 1.474 153 H GLU 22 HN GLU 22 -1.908 13.796 0.219 154 HA GLU 22 HA GLU 22 -0.661 15.206 -1.966 155 HB2 GLU 22 2HB GLU 22 -2.211 16.231 0.411 156 HB3 GLU 22 1HB GLU 22 -1.697 17.202 -0.964 157 HG2 GLU 22 2HG GLU 22 -3.631 14.900 -1.002 158 HG3 GLU 22 1HG GLU 22 -4.004 16.607 -1.222 159 H THR 23 HN THR 23 -0.093 14.789 1.479 160 HA THR 23 HA THR 23 2.284 16.513 1.251 161 HB THR 23 HB THR 23 2.132 16.444 3.828 162 HG1 THR 23 1HG THR 23 0.329 15.640 4.690 163 HG21 THR 23 3HG2 THR 23 0.011 17.864 2.207 164 HG22 THR 23 1HG2 THR 23 1.645 18.447 2.523 165 HG23 THR 23 2HG2 THR 23 0.494 18.289 3.849 166 H LYS 24 HN LYS 24 4.267 15.782 1.967 167 HA LYS 24 HA LYS 24 4.932 13.101 1.603 168 HB2 LYS 24 2HB LYS 24 6.547 14.932 1.440 169 HB3 LYS 24 1HB LYS 24 6.411 15.233 3.162 170 HG2 LYS 24 2HG LYS 24 7.408 13.091 3.660 171 HG3 LYS 24 1HG LYS 24 7.451 12.682 1.943 172 HD2 LYS 24 2HD LYS 24 8.986 14.520 1.522 173 HD3 LYS 24 1HD LYS 24 8.908 14.994 3.219 174 HE2 LYS 24 2HE LYS 24 9.858 12.290 2.297 175 HE3 LYS 24 1HE LYS 24 10.938 13.658 2.544 176 HZ1 LYS 24 3HZ LYS 24 9.162 12.516 4.638 177 HZ2 LYS 24 1HZ LYS 24 10.318 13.740 4.848 178 HZ3 LYS 24 2HZ LYS 24 10.805 12.159 4.471 179 H ASP 25 HN ASP 25 4.431 14.905 4.594 180 HA ASP 25 HA ASP 25 4.849 12.919 6.480 181 HB2 ASP 25 2HB ASP 25 4.393 15.191 7.144 182 HB3 ASP 25 1HB ASP 25 2.789 15.138 6.428 183 H ALA 26 HN ALA 26 1.867 13.613 4.668 184 HA ALA 26 HA ALA 26 0.308 11.577 5.828 185 HB1 ALA 26 1HB ALA 26 0.052 12.748 3.063 186 HB2 ALA 26 2HB ALA 26 -0.653 13.422 4.532 187 HB3 ALA 26 3HB ALA 26 -1.189 11.850 3.936 188 H LEU 27 HN LEU 27 2.394 11.592 2.950 189 HA LEU 27 HA LEU 27 1.986 9.001 2.044 190 HG LEU 27 HG LEU 27 2.733 9.459 -0.133 191 HB2 LEU 27 2HB LEU 27 4.284 10.889 2.005 192 HB3 LEU 27 1HB LEU 27 4.618 9.220 1.623 193 HD11 LEU 27 1HD1 LEU 27 2.307 11.648 -0.961 194 HD12 LEU 27 2HD1 LEU 27 3.469 12.358 0.159 195 HD13 LEU 27 3HD1 LEU 27 1.971 11.663 0.770 196 HD21 LEU 27 3HD2 LEU 27 4.326 10.307 -1.771 197 HD22 LEU 27 1HD2 LEU 27 5.103 9.181 -0.657 198 HD23 LEU 27 2HD2 LEU 27 5.350 10.917 -0.470 199 H GLU 28 HN GLU 28 4.349 10.164 4.408 200 HA GLU 28 HA GLU 28 5.404 7.625 5.020 201 HB2 GLU 28 2HB GLU 28 5.539 10.312 6.366 202 HB3 GLU 28 1HB GLU 28 6.413 8.915 6.961 203 HG2 GLU 28 2HG GLU 28 7.566 8.725 4.807 204 HG3 GLU 28 1HG GLU 28 6.696 10.145 4.234 205 H SER 29 HN SER 29 2.755 9.480 6.384 206 HA SER 29 HA SER 29 2.498 7.889 8.740 207 HG SER 29 HG SER 29 2.513 10.704 8.157 208 HB2 SER 29 2HB SER 29 0.522 9.744 7.399 209 HB3 SER 29 1HB SER 29 0.353 9.068 9.016 210 H GLU 30 HN GLU 30 0.783 7.985 5.618 211 HA GLU 30 HA GLU 30 -1.050 5.920 6.284 212 HB2 GLU 30 2HB GLU 30 -1.169 7.713 4.419 213 HB3 GLU 30 1HB GLU 30 -0.215 6.582 3.479 214 HG2 GLU 30 2HG GLU 30 -1.917 4.932 3.570 215 HG3 GLU 30 1HG GLU 30 -2.829 5.853 4.763 216 H LEU 31 HN LEU 31 2.081 6.034 4.736 217 HA LEU 31 HA LEU 31 2.426 3.448 3.833 218 HG LEU 31 HG LEU 31 5.240 2.804 4.962 219 HB2 LEU 31 2HB LEU 31 4.092 5.266 3.645 220 HB3 LEU 31 1HB LEU 31 4.436 5.116 5.350 221 HD11 LEU 31 1HD1 LEU 31 3.961 2.290 2.956 222 HD12 LEU 31 2HD1 LEU 31 5.687 2.069 2.669 223 HD13 LEU 31 3HD1 LEU 31 4.867 3.503 2.053 224 HD21 LEU 31 3HD2 LEU 31 7.337 3.440 3.867 225 HD22 LEU 31 1HD2 LEU 31 6.820 4.649 5.042 226 HD23 LEU 31 2HD2 LEU 31 6.591 4.940 3.317 227 H ALA 32 HN ALA 32 3.027 4.703 7.071 228 HA ALA 32 HA ALA 32 3.798 2.361 8.343 229 HB1 ALA 32 1HB ALA 32 2.249 4.670 9.512 230 HB2 ALA 32 2HB ALA 32 4.003 4.553 9.377 231 HB3 ALA 32 3HB ALA 32 3.126 3.447 10.433 232 H LYS 33 HN LYS 33 0.528 3.605 7.747 233 HA LYS 33 HA LYS 33 -0.827 1.654 9.286 234 HB2 LYS 33 2HB LYS 33 -1.771 3.294 6.929 235 HB3 LYS 33 1HB LYS 33 -2.808 2.386 8.006 236 HG2 LYS 33 2HG LYS 33 -1.074 4.710 8.789 237 HG3 LYS 33 1HG LYS 33 -2.820 4.754 8.549 238 HD2 LYS 33 2HD LYS 33 -3.059 3.089 10.376 239 HD3 LYS 33 1HD LYS 33 -1.321 3.195 10.651 240 HE2 LYS 33 2HE LYS 33 -1.561 5.596 11.119 241 HE3 LYS 33 1HE LYS 33 -3.303 5.456 10.886 242 HZ1 LYS 33 3HZ LYS 33 -3.249 3.757 12.720 243 HZ2 LYS 33 1HZ LYS 33 -2.916 5.352 13.196 244 HZ3 LYS 33 2HZ LYS 33 -1.651 4.237 13.025 245 H TYR 34 HN TYR 34 0.227 1.780 5.928 246 HA TYR 34 HA TYR 34 -1.045 -0.639 5.143 247 HD1 TYR 34 2HD TYR 34 -0.740 2.739 3.860 248 HD2 TYR 34 1HD TYR 34 -0.964 -1.045 1.925 249 HE1 TYR 34 2HE TYR 34 -2.568 3.577 2.442 250 HE2 TYR 34 1HE TYR 34 -2.789 -0.217 0.504 251 HH TYR 34 HH TYR 34 -3.610 3.104 0.313 252 HB2 TYR 34 2HB TYR 34 1.120 1.067 3.985 253 HB3 TYR 34 1HB TYR 34 0.871 -0.553 3.343 254 H ILE 35 HN ILE 35 2.157 0.131 6.432 255 HA ILE 35 HA ILE 35 3.197 -2.496 6.304 256 HB ILE 35 HB ILE 35 3.877 -0.304 8.278 257 HG12 ILE 35 2HG1 ILE 35 5.225 -1.053 5.672 258 HG13 ILE 35 1HG1 ILE 35 4.166 0.335 5.890 259 HG21 ILE 35 1HG2 ILE 35 5.439 -2.767 7.496 260 HG22 ILE 35 2HG2 ILE 35 4.628 -2.498 9.040 261 HG23 ILE 35 3HG2 ILE 35 5.996 -1.488 8.575 262 HD11 ILE 35 3HD1 ILE 35 5.736 1.275 7.505 263 HD12 ILE 35 1HD1 ILE 35 6.494 0.996 5.937 264 HD13 ILE 35 2HD1 ILE 35 6.800 -0.112 7.275 265 H GLU 36 HN GLU 36 1.377 -0.746 8.783 266 HA GLU 36 HA GLU 36 1.337 -2.702 10.754 267 HB2 GLU 36 2HB GLU 36 -0.459 -0.433 9.996 268 HB3 GLU 36 1HB GLU 36 -0.928 -1.518 11.281 269 HG2 GLU 36 2HG GLU 36 1.607 0.092 11.193 270 HG3 GLU 36 1HG GLU 36 0.165 0.497 12.121 271 H LEU 37 HN LEU 37 -0.889 -2.131 8.059 272 HA LEU 37 HA LEU 37 -2.629 -4.281 8.623 273 HG LEU 37 HG LEU 37 -4.677 -3.429 7.552 274 HB2 LEU 37 2HB LEU 37 -2.640 -2.201 6.877 275 HB3 LEU 37 1HB LEU 37 -2.225 -3.515 5.795 276 HD11 LEU 37 1HD1 LEU 37 -5.905 -3.077 5.468 277 HD12 LEU 37 2HD1 LEU 37 -4.382 -2.993 4.584 278 HD13 LEU 37 3HD1 LEU 37 -4.773 -1.761 5.784 279 HD21 LEU 37 3HD2 LEU 37 -5.415 -5.351 6.218 280 HD22 LEU 37 1HD2 LEU 37 -3.940 -5.704 7.119 281 HD23 LEU 37 2HD2 LEU 37 -3.857 -5.367 5.391 282 H ALA 38 HN ALA 38 0.405 -4.021 6.893 283 HA ALA 38 HA ALA 38 0.275 -6.532 5.568 284 HB1 ALA 38 1HB ALA 38 2.729 -4.951 6.340 285 HB2 ALA 38 2HB ALA 38 1.792 -4.719 4.865 286 HB3 ALA 38 3HB ALA 38 2.643 -6.238 5.135 287 H LYS 39 HN LYS 39 1.763 -5.448 8.591 288 HA LYS 39 HA LYS 39 2.812 -7.940 9.382 289 HB2 LYS 39 2HB LYS 39 1.962 -5.531 10.983 290 HB3 LYS 39 1HB LYS 39 2.798 -6.913 11.671 291 HG2 LYS 39 2HG LYS 39 4.722 -6.495 10.287 292 HG3 LYS 39 1HG LYS 39 3.877 -5.186 9.458 293 HD2 LYS 39 2HD LYS 39 3.749 -3.924 11.524 294 HD3 LYS 39 1HD LYS 39 4.513 -5.247 12.406 295 HE2 LYS 39 2HE LYS 39 5.785 -3.717 10.144 296 HE3 LYS 39 1HE LYS 39 6.061 -3.407 11.852 297 HZ1 LYS 39 3HZ LYS 39 6.877 -5.709 12.049 298 HZ2 LYS 39 1HZ LYS 39 7.824 -4.755 11.012 299 HZ3 LYS 39 2HZ LYS 39 6.736 -5.884 10.369 300 H SER 40 HN SER 40 -0.333 -6.470 9.675 301 HA SER 40 HA SER 40 -1.449 -8.213 11.583 302 HG SER 40 HG SER 40 -3.907 -7.381 11.880 303 HB2 SER 40 2HB SER 40 -2.443 -6.033 10.941 304 HB3 SER 40 1HB SER 40 -2.831 -6.692 9.354 305 H VAL 41 HN VAL 41 -0.930 -8.485 8.144 306 HA VAL 41 HA VAL 41 -2.585 -10.888 7.971 307 HB VAL 41 HB VAL 41 -1.031 -9.487 5.782 308 HG11 VAL 41 1HG1 VAL 41 -3.133 -11.644 5.660 309 HG12 VAL 41 2HG1 VAL 41 -1.418 -11.825 5.283 310 HG13 VAL 41 3HG1 VAL 41 -2.444 -10.810 4.269 311 HG21 VAL 41 3HG2 VAL 41 -3.194 -8.604 5.055 312 HG22 VAL 41 1HG2 VAL 41 -2.804 -8.060 6.686 313 HG23 VAL 41 2HG2 VAL 41 -3.974 -9.358 6.444 314 H CYS 42 HN CYS 42 0.788 -9.876 7.566 315 HA CYS 42 HA CYS 42 1.601 -12.686 7.754 316 HG CYS 42 HG CYS 42 3.295 -14.030 5.560 317 HB2 CYS 42 2HB CYS 42 1.577 -11.996 5.366 318 HB3 CYS 42 1HB CYS 42 2.690 -10.691 5.754 319 H ALA 43 HN ALA 43 3.102 -12.961 9.243 320 HA ALA 43 HA ALA 43 4.286 -10.659 10.540 321 HB1 ALA 43 1HB ALA 43 4.580 -13.594 11.163 322 HB2 ALA 43 2HB ALA 43 3.396 -12.502 11.885 323 HB3 ALA 43 3HB ALA 43 5.119 -12.258 12.177 324 H GLY 44 HN GLY 44 5.089 -12.591 7.942 325 HA2 GLY 44 2HA GLY 44 7.970 -12.046 8.339 326 HA3 GLY 44 1HA GLY 44 7.362 -13.438 7.452 327 H VAL 45 HN VAL 45 6.074 -10.179 7.232 328 HA VAL 45 HA VAL 45 6.486 -10.239 4.370 329 HB VAL 45 HB VAL 45 4.331 -9.483 5.187 330 HG11 VAL 45 1HG1 VAL 45 4.081 -7.360 6.395 331 HG12 VAL 45 2HG1 VAL 45 5.835 -7.250 6.540 332 HG13 VAL 45 3HG1 VAL 45 4.965 -8.566 7.329 333 HG21 VAL 45 3HG2 VAL 45 5.926 -7.265 3.912 334 HG22 VAL 45 1HG2 VAL 45 4.164 -7.337 3.974 335 HG23 VAL 45 2HG2 VAL 45 5.067 -8.561 3.081 336 H GLU 46 HN GLU 46 8.112 -9.360 3.352 337 HA GLU 46 HA GLU 46 9.760 -7.308 4.690 338 HB2 GLU 46 2HB GLU 46 10.444 -9.305 2.521 339 HB3 GLU 46 1HB GLU 46 11.509 -7.993 3.002 340 HG2 GLU 46 2HG GLU 46 10.523 -10.089 4.914 341 HG3 GLU 46 1HG GLU 46 12.013 -10.247 3.985 342 H TYR 47 HN TYR 47 10.464 -5.487 3.369 343 HA TYR 47 HA TYR 47 9.003 -5.179 0.873 344 HD1 TYR 47 1HD TYR 47 9.566 -1.349 2.565 345 HD2 TYR 47 2HD TYR 47 7.876 -4.511 4.859 346 HE1 TYR 47 1HE TYR 47 10.166 -0.161 4.631 347 HE2 TYR 47 2HE TYR 47 8.475 -3.331 6.934 348 HH TYR 47 HH TYR 47 9.574 -0.058 6.938 349 HB2 TYR 47 2HB TYR 47 8.083 -2.988 1.538 350 HB3 TYR 47 1HB TYR 47 7.426 -4.323 2.470 351 H ASN 48 HN ASN 48 9.729 -3.685 -0.519 352 HA ASN 48 HA ASN 48 12.152 -2.161 0.202 353 HB2 ASN 48 2HB ASN 48 11.250 -2.984 -2.572 354 HB3 ASN 48 1HB ASN 48 12.689 -2.057 -2.194 355 HD21 ASN 48 1HD2 ASN 48 13.316 -3.698 0.153 356 HD22 ASN 48 2HD2 ASN 48 13.956 -5.174 -0.477 357 H VAL 49 HN VAL 49 12.236 -0.057 -1.162 358 HA VAL 49 HA VAL 49 9.672 1.018 -1.886 359 HB VAL 49 HB VAL 49 9.632 1.165 0.599 360 HG11 VAL 49 1HG1 VAL 49 11.062 2.754 1.752 361 HG12 VAL 49 2HG1 VAL 49 11.921 3.093 0.250 362 HG13 VAL 49 3HG1 VAL 49 12.024 1.491 0.983 363 HG21 VAL 49 3HG2 VAL 49 8.337 2.723 -0.746 364 HG22 VAL 49 1HG2 VAL 49 9.715 3.820 -0.824 365 HG23 VAL 49 2HG2 VAL 49 8.930 3.500 0.722 366 H SER 50 HN SER 50 9.829 2.865 -3.108 367 HA SER 50 HA SER 50 12.334 3.574 -4.233 368 HG SER 50 HG SER 50 9.571 3.786 -6.287 369 HB2 SER 50 2HB SER 50 9.907 5.351 -4.311 370 HB3 SER 50 1HB SER 50 11.107 5.066 -5.570 371 H GLU 51 HN GLU 51 13.101 5.929 -4.210 372 HA GLU 51 HA GLU 51 13.307 6.771 -1.447 373 HB2 GLU 51 2HB GLU 51 14.914 8.453 -2.314 374 HB3 GLU 51 1HB GLU 51 15.351 6.799 -2.715 375 HG2 GLU 51 2HG GLU 51 14.545 7.099 -4.971 376 HG3 GLU 51 1HG GLU 51 13.999 8.731 -4.583 377 H LEU 52 HN LEU 52 12.358 8.497 -0.557 378 HA LEU 52 HA LEU 52 10.177 9.670 -2.055 379 HG LEU 52 HG LEU 52 8.702 8.444 -0.528 380 HB2 LEU 52 2HB LEU 52 10.988 9.836 0.846 381 HB3 LEU 52 1HB LEU 52 9.634 10.722 0.179 382 HD11 LEU 52 1HD1 LEU 52 10.705 7.493 1.511 383 HD12 LEU 52 2HD1 LEU 52 10.765 7.166 -0.221 384 HD13 LEU 52 3HD1 LEU 52 9.441 6.525 0.751 385 HD21 LEU 52 3HD2 LEU 52 7.750 9.760 1.270 386 HD22 LEU 52 1HD2 LEU 52 8.954 9.133 2.395 387 HD23 LEU 52 2HD2 LEU 52 7.750 8.049 1.699 388 H THR 53 HN THR 53 9.778 11.943 -2.106 389 HA THR 53 HA THR 53 12.114 13.652 -1.618 390 HB THR 53 HB THR 53 11.548 14.951 -3.671 391 HG1 THR 53 1HG THR 53 10.292 13.168 -5.119 392 HG21 THR 53 3HG2 THR 53 13.369 13.313 -3.723 393 HG22 THR 53 1HG2 THR 53 12.539 13.395 -5.278 394 HG23 THR 53 2HG2 THR 53 12.223 12.051 -4.180 395 H GLU 54 HN GLU 54 11.090 16.066 -2.222 396 HA GLU 54 HA GLU 54 9.124 16.458 -0.138 397 HB2 GLU 54 2HB GLU 54 11.085 17.949 -0.481 398 HB3 GLU 54 1HB GLU 54 10.414 18.435 -2.025 399 HG2 GLU 54 2HG GLU 54 8.483 19.395 -0.900 400 HG3 GLU 54 1HG GLU 54 9.140 18.895 0.659 401 H GLU 55 HN GLU 55 9.298 16.293 -3.562 402 HA GLU 55 HA GLU 55 6.681 17.538 -3.927 403 HB2 GLU 55 2HB GLU 55 7.272 17.485 -6.327 404 HB3 GLU 55 1HB GLU 55 8.462 18.337 -5.350 405 HG2 GLU 55 2HG GLU 55 9.651 16.011 -5.301 406 HG3 GLU 55 1HG GLU 55 8.674 15.709 -6.738 407 H SER 56 HN SER 56 7.843 14.477 -3.385 408 HA SER 56 HA SER 56 6.292 13.046 -5.311 409 HG SER 56 HG SER 56 7.111 12.503 -1.949 410 HB2 SER 56 2HB SER 56 6.889 11.060 -3.889 411 HB3 SER 56 1HB SER 56 8.271 11.984 -4.471 412 H LYS 57 HN LYS 57 4.171 12.983 -5.271 413 HA LYS 57 HA LYS 57 2.736 12.908 -2.717 414 HB2 LYS 57 2HB LYS 57 1.812 13.214 -5.580 415 HB3 LYS 57 1HB LYS 57 0.709 13.066 -4.220 416 HG2 LYS 57 2HG LYS 57 1.558 15.111 -3.259 417 HG3 LYS 57 1HG LYS 57 2.768 15.238 -4.539 418 HD2 LYS 57 2HD LYS 57 1.069 15.553 -6.198 419 HD3 LYS 57 1HD LYS 57 -0.207 15.209 -5.028 420 HE2 LYS 57 2HE LYS 57 1.711 17.523 -4.842 421 HE3 LYS 57 1HE LYS 57 0.085 17.626 -5.515 422 HZ1 LYS 57 3HZ LYS 57 0.192 18.342 -3.194 423 HZ2 LYS 57 1HZ LYS 57 0.725 16.801 -2.737 424 HZ3 LYS 57 2HZ LYS 57 -0.828 16.998 -3.394 425 H GLU 58 HN GLU 58 4.359 10.771 -4.318 426 HA GLU 58 HA GLU 58 2.578 8.566 -3.700 427 HB2 GLU 58 2HB GLU 58 2.895 7.530 -5.920 428 HB3 GLU 58 1HB GLU 58 2.002 9.043 -6.013 429 HG2 GLU 58 2HG GLU 58 4.065 10.195 -6.699 430 HG3 GLU 58 1HG GLU 58 4.917 8.653 -6.662 431 H LEU 59 HN LEU 59 3.677 6.577 -3.477 432 HA LEU 59 HA LEU 59 6.505 6.466 -4.079 433 HG LEU 59 HG LEU 59 5.151 4.700 -1.078 434 HB2 LEU 59 2HB LEU 59 7.259 5.844 -1.907 435 HB3 LEU 59 1HB LEU 59 6.408 7.361 -1.756 436 HD11 LEU 59 1HD1 LEU 59 5.619 5.237 1.258 437 HD12 LEU 59 2HD1 LEU 59 6.514 6.670 0.751 438 HD13 LEU 59 3HD1 LEU 59 7.110 5.064 0.331 439 HD21 LEU 59 3HD2 LEU 59 3.557 6.039 0.158 440 HD22 LEU 59 1HD2 LEU 59 3.599 6.561 -1.527 441 HD23 LEU 59 2HD2 LEU 59 4.414 7.514 -0.286 442 H THR 60 HN THR 60 7.228 4.397 -4.421 443 HA THR 60 HA THR 60 5.102 2.375 -4.535 444 HB THR 60 HB THR 60 7.731 2.381 -6.035 445 HG1 THR 60 1HG THR 60 5.129 3.103 -6.977 446 HG21 THR 60 3HG2 THR 60 6.617 0.701 -7.449 447 HG22 THR 60 1HG2 THR 60 5.202 0.767 -6.402 448 HG23 THR 60 2HG2 THR 60 6.736 0.165 -5.773 449 H ALA 61 HN ALA 61 5.163 0.817 -3.088 450 HA ALA 61 HA ALA 61 7.763 0.073 -1.924 451 HB1 ALA 61 1HB ALA 61 6.201 1.098 -0.316 452 HB2 ALA 61 2HB ALA 61 6.590 -0.573 0.091 453 HB3 ALA 61 3HB ALA 61 5.040 -0.185 -0.656 454 H ARG 62 HN ARG 62 8.444 -1.913 -2.264 455 HA ARG 62 HA ARG 62 6.696 -3.821 -3.630 456 HE ARG 62 HE ARG 62 9.189 -4.433 -6.511 457 HB2 ARG 62 2HB ARG 62 8.913 -3.391 -4.596 458 HB3 ARG 62 1HB ARG 62 9.677 -3.842 -3.081 459 HG2 ARG 62 2HG ARG 62 9.936 -5.689 -4.507 460 HG3 ARG 62 1HG ARG 62 8.644 -6.130 -3.389 461 HD2 ARG 62 2HD ARG 62 8.051 -6.788 -5.641 462 HD3 ARG 62 1HD ARG 62 6.983 -5.499 -5.090 463 HH11 ARG 62 1HH1 ARG 62 6.206 -6.182 -7.011 464 HH12 ARG 62 2HH1 ARG 62 5.905 -5.493 -8.573 465 HH21 ARG 62 1HH2 ARG 62 8.804 -3.534 -8.597 466 HH22 ARG 62 2HH2 ARG 62 7.385 -4.009 -9.486 467 H PHE 63 HN PHE 63 5.604 -5.223 -2.391 468 HA PHE 63 HA PHE 63 6.746 -5.949 0.225 469 HD1 PHE 63 2HD PHE 63 5.084 -5.551 2.707 470 HD2 PHE 63 1HD PHE 63 3.988 -3.343 -0.762 471 HE1 PHE 63 2HE PHE 63 4.952 -3.502 4.061 472 HE2 PHE 63 1HE PHE 63 3.851 -1.289 0.586 473 HZ PHE 63 HZ PHE 63 4.331 -1.367 3.003 474 HB2 PHE 63 2HB PHE 63 3.898 -5.751 -0.739 475 HB3 PHE 63 1HB PHE 63 4.318 -6.666 0.701 476 H LYS 64 HN LYS 64 7.457 -7.954 0.477 477 HA LYS 64 HA LYS 64 6.214 -10.063 -1.162 478 HB2 LYS 64 2HB LYS 64 8.193 -11.421 -0.833 479 HB3 LYS 64 1HB LYS 64 8.658 -9.870 -1.514 480 HG2 LYS 64 2HG LYS 64 9.846 -9.277 0.299 481 HG3 LYS 64 1HG LYS 64 8.723 -10.043 1.423 482 HD2 LYS 64 2HD LYS 64 10.691 -11.522 -0.318 483 HD3 LYS 64 1HD LYS 64 10.961 -11.110 1.373 484 HE2 LYS 64 2HE LYS 64 8.923 -12.401 1.960 485 HE3 LYS 64 1HE LYS 64 8.796 -12.893 0.272 486 HZ1 LYS 64 3HZ LYS 64 10.930 -13.991 0.446 487 HZ2 LYS 64 1HZ LYS 64 9.878 -14.580 1.641 488 HZ3 LYS 64 2HZ LYS 64 11.100 -13.481 2.056 489 H PHE 65 HN PHE 65 5.105 -11.582 -0.161 490 HA PHE 65 HA PHE 65 5.037 -11.519 2.772 491 HD1 PHE 65 1HD PHE 65 3.022 -10.364 -0.293 492 HD2 PHE 65 2HD PHE 65 2.065 -10.970 3.808 493 HE1 PHE 65 1HE PHE 65 1.937 -8.158 -0.223 494 HE2 PHE 65 2HE PHE 65 0.973 -8.766 3.883 495 HZ PHE 65 HZ PHE 65 0.912 -7.357 1.865 496 HB2 PHE 65 2HB PHE 65 3.060 -12.627 0.763 497 HB3 PHE 65 1HB PHE 65 2.885 -12.765 2.511 498 H GLU 66 HN GLU 66 4.567 -13.783 3.747 499 HA GLU 66 HA GLU 66 6.825 -15.370 3.144 500 HB2 GLU 66 2HB GLU 66 5.207 -15.076 5.291 501 HB3 GLU 66 1HB GLU 66 4.596 -16.593 4.651 502 HG2 GLU 66 2HG GLU 66 7.461 -16.032 5.350 503 HG3 GLU 66 1HG GLU 66 6.307 -16.891 6.364 504 H VAL 67 HN VAL 67 3.341 -15.929 2.686 505 HA VAL 67 HA VAL 67 4.050 -17.652 0.405 506 HB VAL 67 HB VAL 67 1.956 -18.928 0.787 507 HG11 VAL 67 1HG1 VAL 67 4.075 -19.830 1.542 508 HG12 VAL 67 2HG1 VAL 67 2.789 -20.259 2.671 509 HG13 VAL 67 3HG1 VAL 67 3.921 -18.966 3.070 510 HG21 VAL 67 3HG2 VAL 67 0.867 -18.802 2.992 511 HG22 VAL 67 1HG2 VAL 67 0.700 -17.304 2.073 512 HG23 VAL 67 2HG2 VAL 67 1.871 -17.407 3.388 513 H SER 68 HN SER 68 2.248 -17.791 -1.231 514 HA SER 68 HA SER 68 1.672 -15.148 -2.056 515 HG SER 68 HG SER 68 2.866 -16.299 -4.117 516 HB2 SER 68 2HB SER 68 0.630 -17.753 -3.180 517 HB3 SER 68 1HB SER 68 0.675 -16.197 -4.008 518 H ALA 69 HN ALA 69 -0.084 -17.535 -0.327 519 HA ALA 69 HA ALA 69 -2.712 -16.601 -0.767 520 HB1 ALA 69 1HB ALA 69 -3.325 -17.904 1.184 521 HB2 ALA 69 2HB ALA 69 -1.632 -18.029 1.661 522 HB3 ALA 69 3HB ALA 69 -2.190 -18.812 0.183 523 H GLU 70 HN GLU 70 -0.194 -15.664 1.489 524 HA GLU 70 HA GLU 70 -1.861 -14.033 3.120 525 HB2 GLU 70 2HB GLU 70 1.138 -14.188 2.796 526 HB3 GLU 70 1HB GLU 70 0.345 -13.150 3.972 527 HG2 GLU 70 2HG GLU 70 -0.723 -15.155 4.952 528 HG3 GLU 70 1HG GLU 70 0.202 -16.152 3.830 529 H LYS 71 HN LYS 71 -0.030 -13.540 0.192 530 HA LYS 71 HA LYS 71 -0.114 -10.709 0.141 531 HB2 LYS 71 2HB LYS 71 1.159 -12.362 -1.427 532 HB3 LYS 71 1HB LYS 71 -0.337 -12.392 -2.339 533 HG2 LYS 71 2HG LYS 71 -0.052 -9.750 -2.120 534 HG3 LYS 71 1HG LYS 71 1.645 -10.222 -2.038 535 HD2 LYS 71 2HD LYS 71 1.025 -9.750 -4.327 536 HD3 LYS 71 1HD LYS 71 1.372 -11.471 -4.144 537 HE2 LYS 71 2HE LYS 71 -0.889 -12.057 -4.262 538 HE3 LYS 71 1HE LYS 71 -1.427 -10.414 -3.917 539 HZ1 LYS 71 3HZ LYS 71 -1.692 -11.117 -6.271 540 HZ2 LYS 71 1HZ LYS 71 -0.002 -11.184 -6.408 541 HZ3 LYS 71 2HZ LYS 71 -0.766 -9.709 -6.071 542 H LEU 72 HN LEU 72 -2.145 -13.212 -1.246 543 HA LEU 72 HA LEU 72 -4.050 -11.693 -2.537 544 HG LEU 72 HG LEU 72 -2.733 -14.550 -2.742 545 HB2 LEU 72 2HB LEU 72 -4.489 -14.279 -1.050 546 HB3 LEU 72 1HB LEU 72 -5.565 -13.611 -2.264 547 HD11 LEU 72 1HD1 LEU 72 -3.778 -16.344 -4.002 548 HD12 LEU 72 2HD1 LEU 72 -5.375 -15.727 -3.581 549 HD13 LEU 72 3HD1 LEU 72 -4.317 -16.363 -2.322 550 HD21 LEU 72 3HD2 LEU 72 -3.216 -14.185 -5.100 551 HD22 LEU 72 1HD2 LEU 72 -3.344 -12.677 -4.194 552 HD23 LEU 72 2HD2 LEU 72 -4.804 -13.537 -4.688 553 H ILE 73 HN ILE 73 -4.169 -12.820 0.843 554 HA ILE 73 HA ILE 73 -6.662 -11.725 1.497 555 HB ILE 73 HB ILE 73 -4.283 -12.082 3.333 556 HG12 ILE 73 2HG1 ILE 73 -6.570 -13.973 2.723 557 HG13 ILE 73 1HG1 ILE 73 -4.917 -14.155 2.142 558 HG21 ILE 73 1HG2 ILE 73 -5.952 -12.208 5.126 559 HG22 ILE 73 2HG2 ILE 73 -7.225 -11.850 3.960 560 HG23 ILE 73 3HG2 ILE 73 -5.986 -10.645 4.310 561 HD11 ILE 73 3HD1 ILE 73 -5.800 -14.220 5.020 562 HD12 ILE 73 1HD1 ILE 73 -4.140 -14.383 4.450 563 HD13 ILE 73 2HD1 ILE 73 -5.338 -15.607 4.036 564 H PHE 74 HN PHE 74 -3.413 -10.332 1.850 565 HA PHE 74 HA PHE 74 -4.188 -7.875 2.976 566 HD1 PHE 74 2HD PHE 74 -2.119 -6.539 4.320 567 HD2 PHE 74 1HD PHE 74 -1.203 -6.588 0.163 568 HE1 PHE 74 2HE PHE 74 -1.259 -4.244 4.484 569 HE2 PHE 74 1HE PHE 74 -0.344 -4.287 0.321 570 HZ PHE 74 HZ PHE 74 -0.369 -3.113 2.487 571 HB2 PHE 74 2HB PHE 74 -1.877 -8.667 3.003 572 HB3 PHE 74 1HB PHE 74 -1.800 -8.578 1.250 573 H GLU 75 HN GLU 75 -3.506 -8.757 -0.393 574 HA GLU 75 HA GLU 75 -4.072 -6.277 -1.557 575 HB2 GLU 75 2HB GLU 75 -4.068 -9.097 -2.587 576 HB3 GLU 75 1HB GLU 75 -4.550 -7.766 -3.627 577 HG2 GLU 75 2HG GLU 75 -1.929 -7.798 -2.165 578 HG3 GLU 75 1HG GLU 75 -2.137 -8.510 -3.766 579 H LEU 76 HN LEU 76 -6.207 -8.874 -0.570 580 HA LEU 76 HA LEU 76 -8.499 -7.930 -1.945 581 HG LEU 76 HG LEU 76 -7.725 -10.689 -2.092 582 HB2 LEU 76 2HB LEU 76 -7.926 -9.897 0.223 583 HB3 LEU 76 1HB LEU 76 -9.574 -9.423 -0.075 584 HD11 LEU 76 1HD1 LEU 76 -10.084 -11.799 -0.580 585 HD12 LEU 76 2HD1 LEU 76 -8.395 -12.280 -0.409 586 HD13 LEU 76 3HD1 LEU 76 -9.259 -12.609 -1.910 587 HD21 LEU 76 3HD2 LEU 76 -10.643 -9.965 -2.310 588 HD22 LEU 76 1HD2 LEU 76 -9.695 -10.828 -3.521 589 HD23 LEU 76 2HD2 LEU 76 -9.310 -9.152 -3.130 590 H LYS 77 HN LYS 77 -7.169 -7.473 1.286 591 HA LYS 77 HA LYS 77 -9.474 -6.008 2.179 592 HB2 LYS 77 2HB LYS 77 -6.808 -6.600 3.444 593 HB3 LYS 77 1HB LYS 77 -8.012 -5.579 4.218 594 HG2 LYS 77 2HG LYS 77 -9.624 -7.529 3.880 595 HG3 LYS 77 1HG LYS 77 -8.188 -8.492 3.544 596 HD2 LYS 77 2HD LYS 77 -8.586 -6.892 6.065 597 HD3 LYS 77 1HD LYS 77 -9.008 -8.596 5.909 598 HE2 LYS 77 2HE LYS 77 -6.637 -9.056 5.300 599 HE3 LYS 77 1HE LYS 77 -6.268 -7.365 5.646 600 HZ1 LYS 77 3HZ LYS 77 -7.452 -9.255 7.609 601 HZ2 LYS 77 1HZ LYS 77 -6.923 -7.675 7.917 602 HZ3 LYS 77 2HZ LYS 77 -5.803 -8.886 7.528 603 H THR 78 HN THR 78 -6.350 -5.197 0.802 604 HA THR 78 HA THR 78 -6.439 -2.446 1.510 605 HB THR 78 HB THR 78 -4.803 -2.166 -0.405 606 HG1 THR 78 1HG THR 78 -4.086 -3.998 -1.425 607 HG21 THR 78 3HG2 THR 78 -2.993 -3.333 0.778 608 HG22 THR 78 1HG2 THR 78 -4.192 -4.236 1.706 609 HG23 THR 78 2HG2 THR 78 -4.064 -2.487 1.896 610 H ARG 79 HN ARG 79 -7.654 -4.284 -1.260 611 HA ARG 79 HA ARG 79 -8.478 -2.192 -2.884 612 HE ARG 79 HE ARG 79 -6.386 -2.838 -4.203 613 HB2 ARG 79 2HB ARG 79 -9.625 -4.932 -2.375 614 HB3 ARG 79 1HB ARG 79 -10.269 -3.849 -3.585 615 HG2 ARG 79 2HG ARG 79 -7.437 -4.844 -3.532 616 HG3 ARG 79 1HG ARG 79 -8.736 -5.550 -4.494 617 HD2 ARG 79 2HD ARG 79 -7.650 -4.150 -5.998 618 HD3 ARG 79 1HD ARG 79 -9.024 -3.185 -5.464 619 HH11 ARG 79 1HH1 ARG 79 -9.065 -1.546 -6.069 620 HH12 ARG 79 2HH1 ARG 79 -8.468 0.085 -6.023 621 HH21 ARG 79 1HH2 ARG 79 -5.633 -0.692 -4.087 622 HH22 ARG 79 2HH2 ARG 79 -6.525 0.572 -4.885 623 H SER 80 HN SER 80 -10.111 -3.753 -0.159 624 HA SER 80 HA SER 80 -12.475 -2.185 -0.401 625 HG SER 80 HG SER 80 -11.744 -5.431 0.472 626 HB2 SER 80 2HB SER 80 -11.524 -3.899 1.903 627 HB3 SER 80 1HB SER 80 -13.171 -3.371 1.587 628 H LEU 81 HN LEU 81 -9.425 -1.761 1.110 629 HA LEU 81 HA LEU 81 -10.336 0.130 3.075 630 HG LEU 81 HG LEU 81 -7.349 1.416 2.625 631 HB2 LEU 81 2HB LEU 81 -8.493 -1.097 3.786 632 HB3 LEU 81 1HB LEU 81 -7.710 -1.023 2.219 633 HD11 LEU 81 1HD1 LEU 81 -8.144 0.676 5.436 634 HD12 LEU 81 2HD1 LEU 81 -9.020 1.762 4.359 635 HD13 LEU 81 3HD1 LEU 81 -7.417 2.206 4.946 636 HD21 LEU 81 3HD2 LEU 81 -5.424 1.050 4.121 637 HD22 LEU 81 1HD2 LEU 81 -5.547 -0.175 2.858 638 HD23 LEU 81 2HD2 LEU 81 -6.057 -0.550 4.504 639 H ALA 82 HN ALA 82 -8.682 0.151 -0.045 640 HA ALA 82 HA ALA 82 -8.418 3.056 0.031 641 HB1 ALA 82 1HB ALA 82 -7.470 1.060 -2.023 642 HB2 ALA 82 2HB ALA 82 -6.501 1.752 -0.723 643 HB3 ALA 82 3HB ALA 82 -7.102 2.785 -2.019 644 H ARG 83 HN ARG 83 -10.938 1.385 -0.401 645 HA ARG 83 HA ARG 83 -11.867 2.047 -3.025 646 HE ARG 83 HE ARG 83 -16.481 0.095 -3.741 647 HB2 ARG 83 2HB ARG 83 -12.640 0.100 -1.669 648 HB3 ARG 83 1HB ARG 83 -13.430 1.223 -0.576 649 HG2 ARG 83 2HG ARG 83 -14.923 1.940 -2.325 650 HG3 ARG 83 1HG ARG 83 -14.081 0.916 -3.496 651 HD2 ARG 83 2HD ARG 83 -14.691 -1.062 -2.251 652 HD3 ARG 83 1HD ARG 83 -15.456 -0.076 -1.007 653 HH11 ARG 83 1HH1 ARG 83 -16.843 -0.961 -0.428 654 HH12 ARG 83 2HH1 ARG 83 -18.528 -1.348 -0.604 655 HH21 ARG 83 1HH2 ARG 83 -18.700 -0.433 -3.981 656 HH22 ARG 83 2HH2 ARG 83 -19.575 -1.068 -2.612 657 H LEU 84 HN LEU 84 -12.844 3.109 0.214 658 HA LEU 84 HA LEU 84 -13.584 5.050 1.062 659 HG LEU 84 HG LEU 84 -10.570 4.666 0.401 660 HB2 LEU 84 2HB LEU 84 -11.830 6.164 -1.115 661 HB3 LEU 84 1HB LEU 84 -12.423 7.031 0.277 662 HD11 LEU 84 1HD1 LEU 84 -8.853 6.280 1.018 663 HD12 LEU 84 2HD1 LEU 84 -10.002 7.600 0.795 664 HD13 LEU 84 3HD1 LEU 84 -9.497 6.627 -0.586 665 HD21 LEU 84 3HD2 LEU 84 -10.317 5.284 2.754 666 HD22 LEU 84 1HD2 LEU 84 -11.987 4.863 2.374 667 HD23 LEU 84 2HD2 LEU 84 -11.522 6.556 2.550 668 H GLU 85 HN GLU 85 -15.310 3.953 -0.945 669 HA GLU 85 HA GLU 85 -16.566 6.443 -1.876 670 HB2 GLU 85 2HB GLU 85 -17.468 5.247 -3.798 671 HB3 GLU 85 1HB GLU 85 -15.714 5.134 -3.775 672 HG2 GLU 85 2HG GLU 85 -15.911 2.883 -2.791 673 HG3 GLU 85 1HG GLU 85 -17.666 3.002 -2.944 674 H HIS 86 HN HIS 86 -18.993 5.381 -2.683 675 HA HIS 86 HA HIS 86 -20.258 5.057 -0.115 676 HD1 HIS 86 1HD HIS 86 -23.087 7.175 -0.356 677 HD2 HIS 86 2HD HIS 86 -19.746 7.746 -2.767 678 HE1 HIS 86 1HE HIS 86 -22.605 9.641 -0.279 679 HE2 HIS 86 2HE HIS 86 -20.450 9.916 -1.551 680 HB2 HIS 86 2HB HIS 86 -21.363 5.276 -2.920 681 HB3 HIS 86 1HB HIS 86 -22.379 5.073 -1.495 682 H HIS 87 HN HIS 87 -21.470 3.285 0.575 683 HA HIS 87 HA HIS 87 -20.322 0.810 -0.390 684 HD1 HIS 87 1HD HIS 87 -21.273 3.069 3.254 685 HD2 HIS 87 2HD HIS 87 -24.198 0.390 1.981 686 HE1 HIS 87 1HE HIS 87 -23.384 3.739 4.454 687 HE2 HIS 87 2HE HIS 87 -25.133 2.087 3.698 688 HB2 HIS 87 2HB HIS 87 -21.415 -0.221 1.592 689 HB3 HIS 87 1HB HIS 87 -20.322 1.097 1.982 690 H HIS 88 HN HIS 88 -22.119 1.979 -2.204 691 HA HIS 88 HA HIS 88 -23.821 -0.365 -2.554 692 HD1 HIS 88 1HD HIS 88 -26.840 -0.620 -1.992 693 HD2 HIS 88 2HD HIS 88 -26.316 1.869 -5.288 694 HE1 HIS 88 1HE HIS 88 -28.626 -1.283 -3.642 695 HE2 HIS 88 2HE HIS 88 -28.419 0.383 -5.528 696 HB2 HIS 88 2HB HIS 88 -25.272 1.440 -1.582 697 HB3 HIS 88 1HB HIS 88 -24.885 2.446 -2.971 698 H HIS 89 HN HIS 89 -21.577 -0.323 -3.778 699 HA HIS 89 HA HIS 89 -22.184 -0.080 -6.539 700 HD1 HIS 89 1HD HIS 89 -18.306 2.235 -6.899 701 HD2 HIS 89 2HD HIS 89 -21.799 1.387 -9.002 702 HE1 HIS 89 1HE HIS 89 -17.686 2.368 -9.343 703 HE2 HIS 89 2HE HIS 89 -19.786 1.726 -10.592 704 HB2 HIS 89 2HB HIS 89 -21.772 2.292 -6.124 705 HB3 HIS 89 1HB HIS 89 -20.215 1.919 -5.397 706 H HIS 90 HN HIS 90 -21.560 -2.280 -6.329 707 HA HIS 90 HA HIS 90 -18.653 -2.699 -6.149 708 HD1 HIS 90 1HD HIS 90 -17.681 -5.361 -4.488 709 HD2 HIS 90 2HD HIS 90 -19.708 -6.478 -7.946 710 HE1 HIS 90 1HE HIS 90 -16.439 -7.348 -5.389 711 HE2 HIS 90 2HE HIS 90 -17.835 -8.155 -7.330 712 HB2 HIS 90 2HB HIS 90 -19.967 -4.225 -4.765 713 HB3 HIS 90 1HB HIS 90 -20.948 -4.686 -6.150 714 H HIS 91 HN HIS 91 -21.438 -2.898 -8.223 715 HA HIS 91 HA HIS 91 -19.666 -3.435 -10.507 716 HD1 HIS 91 1HD HIS 91 -23.744 -4.327 -12.358 717 HD2 HIS 91 2HD HIS 91 -19.669 -5.067 -12.755 718 HE1 HIS 91 1HE HIS 91 -23.373 -4.784 -14.804 719 HE2 HIS 91 2HE HIS 91 -20.874 -5.007 -15.049 720 HB2 HIS 91 2HB HIS 91 -21.225 -5.302 -10.112 721 HB3 HIS 91 1HB HIS 91 -22.586 -4.191 -10.197 Start of MODEL 16 1 HA ALA 1 HA ALA 1 4.741 6.894 -13.015 2 H1 ALA 1 1HT ALA 1 4.814 8.347 -10.436 3 H2 ALA 1 2HT ALA 1 3.420 7.811 -11.235 4 H3 ALA 1 3HT ALA 1 4.390 9.005 -11.940 5 HB1 ALA 1 2HB ALA 1 7.099 7.702 -11.312 6 HB2 ALA 1 3HB ALA 1 6.609 8.490 -12.812 7 HB3 ALA 1 1HB ALA 1 7.158 6.814 -12.835 8 H GLY 2 HN GLY 2 6.022 4.808 -12.747 9 HA2 GLY 2 2HA GLY 2 5.912 3.612 -10.100 10 HA3 GLY 2 1HA GLY 2 4.786 2.940 -11.276 11 H GLU 3 HN GLU 3 8.169 3.987 -11.233 12 HA GLU 3 HA GLU 3 8.856 2.023 -13.242 13 HB2 GLU 3 2HB GLU 3 9.727 4.413 -13.074 14 HB3 GLU 3 1HB GLU 3 10.708 3.858 -11.728 15 HG2 GLU 3 2HG GLU 3 12.010 2.481 -13.094 16 HG3 GLU 3 1HG GLU 3 10.852 2.561 -14.423 17 H ILE 4 HN ILE 4 10.058 0.181 -12.948 18 HA ILE 4 HA ILE 4 10.208 -0.737 -10.165 19 HB ILE 4 HB ILE 4 10.805 -2.661 -12.322 20 HG12 ILE 4 2HG1 ILE 4 7.997 -1.578 -11.947 21 HG13 ILE 4 1HG1 ILE 4 9.004 -1.295 -13.362 22 HG21 ILE 4 1HG2 ILE 4 8.969 -2.717 -9.931 23 HG22 ILE 4 2HG2 ILE 4 10.626 -3.319 -9.986 24 HG23 ILE 4 3HG2 ILE 4 9.374 -4.097 -10.952 25 HD11 ILE 4 3HD1 ILE 4 8.000 -3.972 -12.432 26 HD12 ILE 4 1HD1 ILE 4 8.987 -3.674 -13.863 27 HD13 ILE 4 2HD1 ILE 4 7.349 -3.026 -13.769 28 H GLY 5 HN GLY 5 12.064 -2.237 -9.667 29 HA2 GLY 5 2HA GLY 5 14.437 -2.689 -10.560 30 HA3 GLY 5 1HA GLY 5 14.533 -0.935 -10.591 31 H PHE 6 HN PHE 6 12.996 -3.029 -8.248 32 HA PHE 6 HA PHE 6 14.238 -1.508 -6.107 33 HD1 PHE 6 1HD PHE 6 12.218 -0.342 -4.581 34 HD2 PHE 6 2HD PHE 6 10.554 -2.961 -7.496 35 HE1 PHE 6 1HE PHE 6 10.491 1.331 -5.093 36 HE2 PHE 6 2HE PHE 6 8.822 -1.292 -8.013 37 HZ PHE 6 HZ PHE 6 8.792 0.858 -6.810 38 HB2 PHE 6 2HB PHE 6 12.201 -3.745 -6.011 39 HB3 PHE 6 1HB PHE 6 12.722 -2.784 -4.629 40 H ILE 7 HN ILE 7 14.607 -3.112 -4.062 41 HA ILE 7 HA ILE 7 17.003 -4.532 -4.691 42 HB ILE 7 HB ILE 7 15.431 -4.501 -2.106 43 HG12 ILE 7 2HG1 ILE 7 17.799 -2.814 -2.955 44 HG13 ILE 7 1HG1 ILE 7 16.133 -2.248 -2.862 45 HG21 ILE 7 1HG2 ILE 7 17.541 -5.183 -1.061 46 HG22 ILE 7 2HG2 ILE 7 18.295 -5.278 -2.652 47 HG23 ILE 7 3HG2 ILE 7 16.979 -6.375 -2.233 48 HD11 ILE 7 3HD1 ILE 7 17.803 -3.221 -0.555 49 HD12 ILE 7 1HD1 ILE 7 16.131 -2.665 -0.456 50 HD13 ILE 7 2HD1 ILE 7 17.408 -1.543 -0.927 51 H ILE 8 HN ILE 8 13.801 -5.492 -3.492 52 HA ILE 8 HA ILE 8 14.371 -8.294 -3.977 53 HB ILE 8 HB ILE 8 11.855 -6.921 -3.002 54 HG12 ILE 8 2HG1 ILE 8 13.921 -8.571 -1.538 55 HG13 ILE 8 1HG1 ILE 8 13.786 -6.817 -1.458 56 HG21 ILE 8 1HG2 ILE 8 12.506 -9.861 -3.177 57 HG22 ILE 8 2HG2 ILE 8 11.294 -9.001 -4.128 58 HG23 ILE 8 3HG2 ILE 8 11.089 -9.174 -2.385 59 HD11 ILE 8 3HD1 ILE 8 11.693 -8.774 -0.539 60 HD12 ILE 8 1HD1 ILE 8 11.600 -7.017 -0.422 61 HD13 ILE 8 2HD1 ILE 8 12.817 -7.901 0.501 62 H LYS 9 HN LYS 9 13.784 -9.407 -5.706 63 HA LYS 9 HA LYS 9 12.806 -7.996 -8.004 64 HB2 LYS 9 2HB LYS 9 14.157 -10.500 -7.463 65 HB3 LYS 9 1HB LYS 9 12.841 -10.729 -8.611 66 HG2 LYS 9 2HG LYS 9 15.009 -8.655 -8.897 67 HG3 LYS 9 1HG LYS 9 15.025 -10.242 -9.674 68 HD2 LYS 9 2HD LYS 9 13.011 -9.721 -10.887 69 HD3 LYS 9 1HD LYS 9 12.838 -8.195 -10.021 70 HE2 LYS 9 2HE LYS 9 14.892 -7.370 -11.038 71 HE3 LYS 9 1HE LYS 9 15.107 -8.908 -11.877 72 HZ1 LYS 9 3HZ LYS 9 13.182 -8.522 -13.166 73 HZ2 LYS 9 1HZ LYS 9 14.086 -7.091 -13.231 74 HZ3 LYS 9 2HZ LYS 9 12.721 -7.189 -12.233 75 H GLU 10 HN GLU 10 11.150 -9.282 -9.417 76 HA GLU 10 HA GLU 10 8.673 -9.064 -8.072 77 HB2 GLU 10 2HB GLU 10 9.421 -10.053 -10.826 78 HB3 GLU 10 1HB GLU 10 7.772 -9.868 -10.275 79 HG2 GLU 10 2HG GLU 10 8.223 -7.953 -11.539 80 HG3 GLU 10 1HG GLU 10 8.309 -7.436 -9.859 81 H GLY 11 HN GLY 11 6.988 -10.816 -8.155 82 HA2 GLY 11 2HA GLY 11 7.752 -13.540 -8.289 83 HA3 GLY 11 1HA GLY 11 7.775 -12.982 -6.622 84 H ASP 12 HN ASP 12 6.109 -14.950 -7.113 85 HA ASP 12 HA ASP 12 3.501 -14.061 -7.960 86 HB2 ASP 12 2HB ASP 12 4.417 -16.402 -8.281 87 HB3 ASP 12 1HB ASP 12 4.195 -16.645 -6.554 88 H GLU 13 HN GLU 13 5.252 -14.269 -5.024 89 HA GLU 13 HA GLU 13 2.819 -13.816 -3.434 90 HB2 GLU 13 2HB GLU 13 4.173 -14.355 -1.477 91 HB3 GLU 13 1HB GLU 13 4.278 -15.644 -2.666 92 HG2 GLU 13 2HG GLU 13 6.361 -13.492 -2.472 93 HG3 GLU 13 1HG GLU 13 6.416 -14.938 -1.470 94 H VAL 14 HN VAL 14 4.870 -12.034 -5.099 95 HA VAL 14 HA VAL 14 5.432 -10.031 -3.046 96 HB VAL 14 HB VAL 14 6.340 -10.168 -5.929 97 HG11 VAL 14 1HG1 VAL 14 6.253 -7.874 -5.101 98 HG12 VAL 14 2HG1 VAL 14 7.920 -8.408 -5.322 99 HG13 VAL 14 3HG1 VAL 14 7.224 -8.336 -3.703 100 HG21 VAL 14 3HG2 VAL 14 7.837 -10.789 -3.387 101 HG22 VAL 14 1HG2 VAL 14 8.516 -10.792 -5.014 102 HG23 VAL 14 2HG2 VAL 14 7.276 -11.966 -4.573 103 H ALA 15 HN ALA 15 4.511 -8.041 -3.022 104 HA ALA 15 HA ALA 15 2.792 -7.243 -5.261 105 HB1 ALA 15 1HB ALA 15 1.329 -8.287 -3.602 106 HB2 ALA 15 2HB ALA 15 1.017 -6.556 -3.732 107 HB3 ALA 15 3HB ALA 15 1.941 -7.185 -2.367 108 H ASP 16 HN ASP 16 3.634 -5.370 -5.943 109 HA ASP 16 HA ASP 16 4.609 -3.483 -3.927 110 HB2 ASP 16 2HB ASP 16 5.482 -2.203 -5.942 111 HB3 ASP 16 1HB ASP 16 6.275 -3.720 -5.565 112 H VAL 17 HN VAL 17 3.601 -1.690 -3.457 113 HA VAL 17 HA VAL 17 1.158 -1.041 -4.986 114 HB VAL 17 HB VAL 17 1.611 -0.485 -2.053 115 HG11 VAL 17 1HG1 VAL 17 -0.819 -0.179 -2.002 116 HG12 VAL 17 2HG1 VAL 17 -0.886 -0.473 -3.740 117 HG13 VAL 17 3HG1 VAL 17 -0.038 0.943 -3.118 118 HG21 VAL 17 3HG2 VAL 17 0.127 -2.801 -3.290 119 HG22 VAL 17 1HG2 VAL 17 0.161 -2.398 -1.574 120 HG23 VAL 17 2HG2 VAL 17 1.642 -2.897 -2.392 121 H THR 18 HN THR 18 0.740 1.054 -5.448 122 HA THR 18 HA THR 18 2.955 2.928 -5.029 123 HB THR 18 HB THR 18 0.740 3.013 -7.082 124 HG1 THR 18 1HG THR 18 2.204 1.284 -7.442 125 HG21 THR 18 3HG2 THR 18 2.116 4.729 -8.172 126 HG22 THR 18 1HG2 THR 18 3.281 4.633 -6.851 127 HG23 THR 18 2HG2 THR 18 1.651 5.229 -6.546 128 H ILE 19 HN ILE 19 2.596 4.222 -3.356 129 HA ILE 19 HA ILE 19 -0.150 5.045 -2.715 130 HB ILE 19 HB ILE 19 2.364 5.400 -1.079 131 HG12 ILE 19 2HG1 ILE 19 0.162 3.343 -0.807 132 HG13 ILE 19 1HG1 ILE 19 1.797 3.020 -1.373 133 HG21 ILE 19 1HG2 ILE 19 0.707 7.039 -0.503 134 HG22 ILE 19 2HG2 ILE 19 0.800 5.834 0.782 135 HG23 ILE 19 3HG2 ILE 19 -0.533 5.793 -0.373 136 HD11 ILE 19 3HD1 ILE 19 1.032 3.966 1.379 137 HD12 ILE 19 1HD1 ILE 19 2.675 3.657 0.815 138 HD13 ILE 19 2HD1 ILE 19 1.518 2.332 0.931 139 H PHE 20 HN PHE 20 -0.699 7.221 -2.593 140 HA PHE 20 HA PHE 20 1.296 9.169 -3.438 141 HD1 PHE 20 2HD PHE 20 -1.020 6.514 -5.510 142 HD2 PHE 20 1HD PHE 20 -2.645 10.361 -4.682 143 HE1 PHE 20 2HE PHE 20 -3.290 5.628 -5.855 144 HE2 PHE 20 1HE PHE 20 -4.913 9.482 -5.027 145 HZ PHE 20 HZ PHE 20 -5.240 7.114 -5.615 146 HB2 PHE 20 2HB PHE 20 -0.305 10.083 -5.131 147 HB3 PHE 20 1HB PHE 20 0.376 8.519 -5.539 148 H ALA 21 HN ALA 21 0.959 11.214 -2.781 149 HA ALA 21 HA ALA 21 -1.499 12.258 -1.837 150 HB1 ALA 21 1HB ALA 21 -0.928 10.748 0.071 151 HB2 ALA 21 2HB ALA 21 -1.066 12.450 0.508 152 HB3 ALA 21 3HB ALA 21 0.524 11.715 0.331 153 H GLU 22 HN GLU 22 -1.141 14.490 -0.891 154 HA GLU 22 HA GLU 22 0.754 15.794 -2.604 155 HB2 GLU 22 2HB GLU 22 -1.235 16.839 -0.595 156 HB3 GLU 22 1HB GLU 22 -0.202 17.887 -1.559 157 HG2 GLU 22 2HG GLU 22 -2.146 15.895 -2.700 158 HG3 GLU 22 1HG GLU 22 -2.489 17.608 -2.461 159 H THR 23 HN THR 23 0.699 14.938 0.777 160 HA THR 23 HA THR 23 3.104 16.580 1.189 161 HB THR 23 HB THR 23 2.491 16.373 3.662 162 HG1 THR 23 1HG THR 23 0.278 15.959 4.075 163 HG21 THR 23 3HG2 THR 23 0.890 18.246 3.534 164 HG22 THR 23 1HG2 THR 23 0.698 17.943 1.807 165 HG23 THR 23 2HG2 THR 23 2.259 18.460 2.445 166 H LYS 24 HN LYS 24 4.846 15.699 2.303 167 HA LYS 24 HA LYS 24 5.381 12.960 1.863 168 HB2 LYS 24 2HB LYS 24 7.081 14.803 2.084 169 HB3 LYS 24 1HB LYS 24 6.777 14.803 3.813 170 HG2 LYS 24 2HG LYS 24 7.526 12.480 3.945 171 HG3 LYS 24 1HG LYS 24 7.848 12.490 2.210 172 HD2 LYS 24 2HD LYS 24 9.451 14.347 2.567 173 HD3 LYS 24 1HD LYS 24 9.180 14.204 4.305 174 HE2 LYS 24 2HE LYS 24 9.983 11.902 4.247 175 HE3 LYS 24 1HE LYS 24 10.240 12.025 2.508 176 HZ1 LYS 24 3HZ LYS 24 11.673 13.503 4.647 177 HZ2 LYS 24 1HZ LYS 24 11.829 13.861 2.994 178 HZ3 LYS 24 2HZ LYS 24 12.311 12.345 3.585 179 H ASP 25 HN ASP 25 4.307 14.769 4.650 180 HA ASP 25 HA ASP 25 4.401 12.817 6.641 181 HB2 ASP 25 2HB ASP 25 3.872 15.167 7.078 182 HB3 ASP 25 1HB ASP 25 2.354 15.010 6.208 183 H ALA 26 HN ALA 26 1.869 13.488 4.247 184 HA ALA 26 HA ALA 26 0.063 11.526 5.197 185 HB1 ALA 26 1HB ALA 26 0.297 12.663 2.412 186 HB2 ALA 26 2HB ALA 26 -0.609 13.390 3.740 187 HB3 ALA 26 3HB ALA 26 -1.101 11.825 3.090 188 H LEU 27 HN LEU 27 2.587 11.481 2.701 189 HA LEU 27 HA LEU 27 2.258 8.886 1.764 190 HG LEU 27 HG LEU 27 3.541 8.981 -0.279 191 HB2 LEU 27 2HB LEU 27 4.499 10.799 1.927 192 HB3 LEU 27 1HB LEU 27 4.966 9.120 1.783 193 HD11 LEU 27 1HD1 LEU 27 2.949 11.092 -1.377 194 HD12 LEU 27 2HD1 LEU 27 3.433 11.969 0.076 195 HD13 LEU 27 3HD1 LEU 27 2.073 10.849 0.133 196 HD21 LEU 27 3HD2 LEU 27 5.956 9.232 -0.407 197 HD22 LEU 27 1HD2 LEU 27 5.793 10.985 -0.289 198 HD23 LEU 27 2HD2 LEU 27 5.166 10.133 -1.701 199 H GLU 28 HN GLU 28 4.318 10.020 4.428 200 HA GLU 28 HA GLU 28 5.225 7.502 5.230 201 HB2 GLU 28 2HB GLU 28 5.026 10.164 6.600 202 HB3 GLU 28 1HB GLU 28 5.646 8.762 7.444 203 HG2 GLU 28 2HG GLU 28 7.220 8.551 5.390 204 HG3 GLU 28 1HG GLU 28 6.803 10.245 5.137 205 H SER 29 HN SER 29 2.437 9.406 6.320 206 HA SER 29 HA SER 29 1.741 7.723 8.479 207 HG SER 29 HG SER 29 -0.060 8.784 9.643 208 HB2 SER 29 2HB SER 29 0.934 10.092 8.049 209 HB3 SER 29 1HB SER 29 -0.176 9.410 6.866 210 H GLU 30 HN GLU 30 0.497 7.901 5.146 211 HA GLU 30 HA GLU 30 -1.377 5.799 5.463 212 HB2 GLU 30 2HB GLU 30 -1.222 7.668 3.671 213 HB3 GLU 30 1HB GLU 30 -0.153 6.564 2.829 214 HG2 GLU 30 2HG GLU 30 -1.836 4.977 2.520 215 HG3 GLU 30 1HG GLU 30 -2.886 5.726 3.720 216 H LEU 31 HN LEU 31 1.941 5.948 4.320 217 HA LEU 31 HA LEU 31 2.299 3.302 3.487 218 HG LEU 31 HG LEU 31 5.085 2.714 4.588 219 HB2 LEU 31 2HB LEU 31 3.945 5.152 3.219 220 HB3 LEU 31 1HB LEU 31 4.302 5.043 4.926 221 HD11 LEU 31 1HD1 LEU 31 5.537 1.950 2.305 222 HD12 LEU 31 2HD1 LEU 31 4.691 3.362 1.674 223 HD13 LEU 31 3HD1 LEU 31 3.813 2.150 2.608 224 HD21 LEU 31 3HD2 LEU 31 6.662 4.571 4.624 225 HD22 LEU 31 1HD2 LEU 31 6.442 4.801 2.890 226 HD23 LEU 31 2HD2 LEU 31 7.185 3.320 3.496 227 H ALA 32 HN ALA 32 2.860 4.772 6.651 228 HA ALA 32 HA ALA 32 3.653 2.523 8.068 229 HB1 ALA 32 1HB ALA 32 2.008 4.814 9.133 230 HB2 ALA 32 2HB ALA 32 3.760 4.822 8.935 231 HB3 ALA 32 3HB ALA 32 3.007 3.710 10.078 232 H LYS 33 HN LYS 33 0.369 3.676 7.396 233 HA LYS 33 HA LYS 33 -0.974 1.765 8.969 234 HB2 LYS 33 2HB LYS 33 -1.867 3.330 6.547 235 HB3 LYS 33 1HB LYS 33 -2.933 2.363 7.546 236 HG2 LYS 33 2HG LYS 33 -1.375 4.780 8.413 237 HG3 LYS 33 1HG LYS 33 -3.121 4.677 8.171 238 HD2 LYS 33 2HD LYS 33 -3.260 3.011 9.969 239 HD3 LYS 33 1HD LYS 33 -1.517 3.145 10.218 240 HE2 LYS 33 2HE LYS 33 -1.811 5.537 10.742 241 HE3 LYS 33 1HE LYS 33 -3.556 5.338 10.575 242 HZ1 LYS 33 3HZ LYS 33 -1.810 3.991 12.566 243 HZ2 LYS 33 1HZ LYS 33 -3.467 3.687 12.377 244 HZ3 LYS 33 2HZ LYS 33 -2.936 5.218 12.881 245 H TYR 34 HN TYR 34 0.004 1.835 5.593 246 HA TYR 34 HA TYR 34 -1.152 -0.596 4.784 247 HD1 TYR 34 2HD TYR 34 -1.786 1.771 2.874 248 HD2 TYR 34 1HD TYR 34 0.513 -1.617 1.727 249 HE1 TYR 34 2HE TYR 34 -3.287 1.410 0.959 250 HE2 TYR 34 1HE TYR 34 -0.980 -1.989 -0.189 251 HH TYR 34 HH TYR 34 -3.249 0.322 -1.254 252 HB2 TYR 34 2HB TYR 34 0.589 1.380 3.684 253 HB3 TYR 34 1HB TYR 34 1.320 -0.197 3.409 254 H ILE 35 HN ILE 35 2.005 0.161 6.184 255 HA ILE 35 HA ILE 35 3.068 -2.457 6.049 256 HB ILE 35 HB ILE 35 3.751 -0.221 7.968 257 HG12 ILE 35 2HG1 ILE 35 5.059 -1.066 5.370 258 HG13 ILE 35 1HG1 ILE 35 4.058 0.365 5.589 259 HG21 ILE 35 1HG2 ILE 35 5.298 -2.720 7.285 260 HG22 ILE 35 2HG2 ILE 35 4.502 -2.375 8.821 261 HG23 ILE 35 3HG2 ILE 35 5.875 -1.397 8.300 262 HD11 ILE 35 3HD1 ILE 35 5.697 1.277 7.146 263 HD12 ILE 35 1HD1 ILE 35 6.422 0.928 5.578 264 HD13 ILE 35 2HD1 ILE 35 6.697 -0.161 6.939 265 H GLU 36 HN GLU 36 1.234 -0.747 8.558 266 HA GLU 36 HA GLU 36 1.423 -2.725 10.521 267 HB2 GLU 36 2HB GLU 36 0.754 -0.355 10.886 268 HB3 GLU 36 1HB GLU 36 -0.778 -0.703 10.090 269 HG2 GLU 36 2HG GLU 36 -1.257 -2.371 11.794 270 HG3 GLU 36 1HG GLU 36 0.248 -1.962 12.605 271 H LEU 37 HN LEU 37 -0.882 -2.168 7.911 272 HA LEU 37 HA LEU 37 -2.675 -4.247 8.559 273 HG LEU 37 HG LEU 37 -4.691 -3.399 7.360 274 HB2 LEU 37 2HB LEU 37 -2.615 -2.270 6.708 275 HB3 LEU 37 1HB LEU 37 -2.183 -3.636 5.705 276 HD11 LEU 37 1HD1 LEU 37 -5.813 -3.270 5.166 277 HD12 LEU 37 2HD1 LEU 37 -4.230 -3.190 4.391 278 HD13 LEU 37 3HD1 LEU 37 -4.747 -1.900 5.476 279 HD21 LEU 37 3HD2 LEU 37 -5.410 -5.424 6.181 280 HD22 LEU 37 1HD2 LEU 37 -3.975 -5.714 7.167 281 HD23 LEU 37 2HD2 LEU 37 -3.823 -5.538 5.419 282 H ALA 38 HN ALA 38 0.336 -4.129 6.751 283 HA ALA 38 HA ALA 38 0.116 -6.674 5.533 284 HB1 ALA 38 1HB ALA 38 1.595 -4.904 4.691 285 HB2 ALA 38 2HB ALA 38 2.455 -6.419 4.960 286 HB3 ALA 38 3HB ALA 38 2.617 -5.096 6.115 287 H LYS 39 HN LYS 39 1.990 -5.585 8.362 288 HA LYS 39 HA LYS 39 2.992 -8.167 8.949 289 HB2 LYS 39 2HB LYS 39 2.864 -5.621 10.548 290 HB3 LYS 39 1HB LYS 39 3.575 -7.098 11.179 291 HG2 LYS 39 2HG LYS 39 5.157 -7.119 9.294 292 HG3 LYS 39 1HG LYS 39 4.467 -5.596 8.730 293 HD2 LYS 39 2HD LYS 39 5.155 -4.488 10.770 294 HD3 LYS 39 1HD LYS 39 5.748 -6.015 11.429 295 HE2 LYS 39 2HE LYS 39 6.802 -4.670 8.945 296 HE3 LYS 39 1HE LYS 39 7.551 -4.586 10.537 297 HZ1 LYS 39 3HZ LYS 39 7.074 -7.118 9.064 298 HZ2 LYS 39 1HZ LYS 39 7.954 -6.926 10.498 299 HZ3 LYS 39 2HZ LYS 39 8.542 -6.276 9.041 300 H SER 40 HN SER 40 0.006 -6.609 9.691 301 HA SER 40 HA SER 40 -0.671 -8.196 11.953 302 HG SER 40 HG SER 40 -3.383 -8.359 11.651 303 HB2 SER 40 2HB SER 40 -1.780 -6.033 11.377 304 HB3 SER 40 1HB SER 40 -2.546 -6.833 10.006 305 H VAL 41 HN VAL 41 -0.630 -8.752 8.564 306 HA VAL 41 HA VAL 41 -2.187 -11.228 8.871 307 HB VAL 41 HB VAL 41 -1.228 -9.888 6.329 308 HG11 VAL 41 1HG1 VAL 41 -3.140 -12.189 6.711 309 HG12 VAL 41 2HG1 VAL 41 -1.483 -12.317 6.122 310 HG13 VAL 41 3HG1 VAL 41 -2.690 -11.449 5.174 311 HG21 VAL 41 3HG2 VAL 41 -2.916 -8.534 7.435 312 HG22 VAL 41 1HG2 VAL 41 -3.970 -9.939 7.585 313 HG23 VAL 41 2HG2 VAL 41 -3.590 -9.290 5.991 314 H CYS 42 HN CYS 42 0.809 -10.005 7.412 315 HA CYS 42 HA CYS 42 2.052 -12.622 7.943 316 HG CYS 42 HG CYS 42 3.533 -13.772 4.938 317 HB2 CYS 42 2HB CYS 42 1.670 -12.139 5.507 318 HB3 CYS 42 1HB CYS 42 2.708 -10.728 5.671 319 H ALA 43 HN ALA 43 3.154 -12.204 9.783 320 HA ALA 43 HA ALA 43 4.139 -9.702 10.569 321 HB1 ALA 43 1HB ALA 43 5.086 -12.419 11.473 322 HB2 ALA 43 2HB ALA 43 3.692 -11.554 12.120 323 HB3 ALA 43 3HB ALA 43 5.313 -10.891 12.327 324 H GLY 44 HN GLY 44 5.794 -12.435 9.033 325 HA2 GLY 44 2HA GLY 44 8.303 -10.960 8.993 326 HA3 GLY 44 1HA GLY 44 8.058 -12.620 8.473 327 H VAL 45 HN VAL 45 6.236 -9.784 7.434 328 HA VAL 45 HA VAL 45 6.731 -10.400 4.681 329 HB VAL 45 HB VAL 45 4.576 -9.461 5.362 330 HG11 VAL 45 1HG1 VAL 45 6.138 -6.984 6.073 331 HG12 VAL 45 2HG1 VAL 45 5.256 -8.035 7.184 332 HG13 VAL 45 3HG1 VAL 45 4.379 -7.087 5.984 333 HG21 VAL 45 3HG2 VAL 45 6.130 -7.628 3.541 334 HG22 VAL 45 1HG2 VAL 45 4.371 -7.721 3.644 335 HG23 VAL 45 2HG2 VAL 45 5.296 -9.111 3.075 336 H GLU 46 HN GLU 46 8.339 -9.694 3.451 337 HA GLU 46 HA GLU 46 10.166 -7.684 4.508 338 HB2 GLU 46 2HB GLU 46 10.299 -9.524 2.117 339 HB3 GLU 46 1HB GLU 46 11.501 -8.278 2.431 340 HG2 GLU 46 2HG GLU 46 10.831 -10.602 4.220 341 HG3 GLU 46 1HG GLU 46 12.278 -10.418 3.227 342 H TYR 47 HN TYR 47 10.605 -5.708 3.417 343 HA TYR 47 HA TYR 47 8.786 -5.085 1.217 344 HD1 TYR 47 1HD TYR 47 9.330 -4.635 5.313 345 HD2 TYR 47 2HD TYR 47 9.228 -1.188 2.822 346 HE1 TYR 47 1HE TYR 47 10.541 -3.362 7.035 347 HE2 TYR 47 2HE TYR 47 10.436 0.097 4.533 348 HH TYR 47 HH TYR 47 10.820 0.040 6.956 349 HB2 TYR 47 2HB TYR 47 7.972 -3.073 2.225 350 HB3 TYR 47 1HB TYR 47 7.711 -4.386 3.358 351 H ASN 48 HN ASN 48 9.345 -3.396 -0.051 352 HA ASN 48 HA ASN 48 11.902 -2.046 0.508 353 HB2 ASN 48 2HB ASN 48 10.780 -2.740 -2.214 354 HB3 ASN 48 1HB ASN 48 12.175 -1.718 -1.943 355 HD21 ASN 48 1HD2 ASN 48 13.079 -3.422 0.298 356 HD22 ASN 48 2HD2 ASN 48 13.791 -4.811 -0.447 357 H VAL 49 HN VAL 49 11.965 0.102 -0.641 358 HA VAL 49 HA VAL 49 9.442 1.381 -1.111 359 HB VAL 49 HB VAL 49 9.430 1.276 1.351 360 HG11 VAL 49 1HG1 VAL 49 11.057 2.500 2.677 361 HG12 VAL 49 2HG1 VAL 49 11.939 2.940 1.213 362 HG13 VAL 49 3HG1 VAL 49 11.848 1.251 1.715 363 HG21 VAL 49 3HG2 VAL 49 8.342 3.155 0.241 364 HG22 VAL 49 1HG2 VAL 49 9.850 4.067 0.286 365 HG23 VAL 49 2HG2 VAL 49 9.027 3.648 1.790 366 H SER 50 HN SER 50 9.686 3.290 -2.194 367 HA SER 50 HA SER 50 12.217 3.908 -3.312 368 HG SER 50 HG SER 50 10.000 3.641 -5.068 369 HB2 SER 50 2HB SER 50 9.925 5.841 -3.302 370 HB3 SER 50 1HB SER 50 11.072 5.487 -4.590 371 H GLU 51 HN GLU 51 13.232 6.086 -3.154 372 HA GLU 51 HA GLU 51 13.239 6.965 -0.371 373 HB2 GLU 51 2HB GLU 51 15.223 8.377 -1.131 374 HB3 GLU 51 1HB GLU 51 15.444 6.637 -1.083 375 HG2 GLU 51 2HG GLU 51 14.705 8.053 -3.614 376 HG3 GLU 51 1HG GLU 51 16.375 7.922 -3.074 377 H LEU 52 HN LEU 52 12.588 8.923 0.293 378 HA LEU 52 HA LEU 52 10.742 10.209 -1.541 379 HG LEU 52 HG LEU 52 9.063 9.034 -0.172 380 HB2 LEU 52 2HB LEU 52 11.143 10.489 1.433 381 HB3 LEU 52 1HB LEU 52 9.944 11.374 0.521 382 HD11 LEU 52 1HD1 LEU 52 9.432 7.298 1.526 383 HD12 LEU 52 2HD1 LEU 52 10.657 8.319 2.282 384 HD13 LEU 52 3HD1 LEU 52 10.906 7.707 0.647 385 HD21 LEU 52 3HD2 LEU 52 7.833 10.577 1.230 386 HD22 LEU 52 1HD2 LEU 52 8.753 10.063 2.643 387 HD23 LEU 52 2HD2 LEU 52 7.670 8.930 1.835 388 H THR 53 HN THR 53 11.237 11.977 -2.591 389 HA THR 53 HA THR 53 13.519 13.597 -1.787 390 HB THR 53 HB THR 53 12.808 14.766 -4.042 391 HG1 THR 53 1HG THR 53 11.765 13.254 -5.426 392 HG21 THR 53 3HG2 THR 53 14.026 12.003 -3.978 393 HG22 THR 53 1HG2 THR 53 14.889 13.512 -3.676 394 HG23 THR 53 2HG2 THR 53 14.207 13.190 -5.270 395 H GLU 54 HN GLU 54 12.812 16.037 -2.869 396 HA GLU 54 HA GLU 54 11.455 17.312 -0.808 397 HB2 GLU 54 2HB GLU 54 11.759 18.305 -3.644 398 HB3 GLU 54 1HB GLU 54 11.533 19.276 -2.202 399 HG2 GLU 54 2HG GLU 54 13.758 19.529 -2.396 400 HG3 GLU 54 1HG GLU 54 13.764 18.021 -1.488 401 H GLU 55 HN GLU 55 10.323 16.672 -4.141 402 HA GLU 55 HA GLU 55 7.577 17.103 -3.190 403 HB2 GLU 55 2HB GLU 55 8.886 17.362 -5.857 404 HB3 GLU 55 1HB GLU 55 7.175 16.960 -5.798 405 HG2 GLU 55 2HG GLU 55 6.887 18.986 -4.313 406 HG3 GLU 55 1HG GLU 55 8.539 19.419 -4.751 407 H SER 56 HN SER 56 8.701 14.655 -2.434 408 HA SER 56 HA SER 56 7.777 12.621 -4.202 409 HG SER 56 HG SER 56 7.836 13.204 -0.686 410 HB2 SER 56 2HB SER 56 7.766 11.250 -1.990 411 HB3 SER 56 1HB SER 56 9.294 11.788 -2.662 412 H LYS 57 HN LYS 57 5.753 12.978 -4.843 413 HA LYS 57 HA LYS 57 3.675 13.096 -2.775 414 HB2 LYS 57 2HB LYS 57 3.630 13.867 -5.702 415 HB3 LYS 57 1HB LYS 57 2.212 13.879 -4.658 416 HG2 LYS 57 2HG LYS 57 3.097 15.598 -3.302 417 HG3 LYS 57 1HG LYS 57 4.702 15.432 -4.013 418 HD2 LYS 57 2HD LYS 57 3.864 16.285 -6.134 419 HD3 LYS 57 1HD LYS 57 2.237 16.408 -5.456 420 HE2 LYS 57 2HE LYS 57 2.985 18.047 -3.851 421 HE3 LYS 57 1HE LYS 57 4.655 17.855 -4.380 422 HZ1 LYS 57 3HZ LYS 57 2.479 18.813 -6.157 423 HZ2 LYS 57 1HZ LYS 57 4.150 18.846 -6.452 424 HZ3 LYS 57 2HZ LYS 57 3.480 19.847 -5.261 425 H GLU 58 HN GLU 58 5.328 10.857 -3.965 426 HA GLU 58 HA GLU 58 3.280 8.883 -3.921 427 HB2 GLU 58 2HB GLU 58 3.707 7.974 -6.201 428 HB3 GLU 58 1HB GLU 58 2.902 9.539 -6.216 429 HG2 GLU 58 2HG GLU 58 4.983 10.641 -6.750 430 HG3 GLU 58 1HG GLU 58 5.851 9.113 -6.623 431 H LEU 59 HN LEU 59 4.160 6.759 -3.820 432 HA LEU 59 HA LEU 59 6.968 6.330 -4.254 433 HG LEU 59 HG LEU 59 5.528 4.719 -1.214 434 HB2 LEU 59 2HB LEU 59 7.642 5.765 -2.064 435 HB3 LEU 59 1HB LEU 59 6.869 7.327 -1.942 436 HD11 LEU 59 1HD1 LEU 59 5.897 5.406 1.109 437 HD12 LEU 59 2HD1 LEU 59 6.857 6.774 0.544 438 HD13 LEU 59 3HD1 LEU 59 7.412 5.125 0.253 439 HD21 LEU 59 3HD2 LEU 59 3.966 6.507 -1.808 440 HD22 LEU 59 1HD2 LEU 59 4.750 7.578 -0.647 441 HD23 LEU 59 2HD2 LEU 59 3.900 6.140 -0.085 442 H THR 60 HN THR 60 7.511 4.107 -4.268 443 HA THR 60 HA THR 60 5.132 2.378 -4.412 444 HB THR 60 HB THR 60 7.798 1.866 -5.737 445 HG1 THR 60 1HG THR 60 6.369 3.807 -6.400 446 HG21 THR 60 3HG2 THR 60 5.044 0.711 -6.202 447 HG22 THR 60 1HG2 THR 60 6.380 -0.108 -5.390 448 HG23 THR 60 2HG2 THR 60 6.504 0.298 -7.101 449 H ALA 61 HN ALA 61 4.909 1.013 -2.802 450 HA ALA 61 HA ALA 61 7.301 0.118 -1.335 451 HB1 ALA 61 1HB ALA 61 4.414 0.114 -0.450 452 HB2 ALA 61 2HB ALA 61 5.632 1.298 0.020 453 HB3 ALA 61 3HB ALA 61 5.799 -0.385 0.520 454 H ARG 62 HN ARG 62 7.963 -1.868 -1.772 455 HA ARG 62 HA ARG 62 6.081 -3.753 -2.998 456 HE ARG 62 HE ARG 62 7.526 -5.118 -6.021 457 HB2 ARG 62 2HB ARG 62 7.962 -3.491 -4.392 458 HB3 ARG 62 1HB ARG 62 9.080 -3.538 -3.035 459 HG2 ARG 62 2HG ARG 62 8.880 -5.856 -2.801 460 HG3 ARG 62 1HG ARG 62 7.408 -5.916 -3.771 461 HD2 ARG 62 2HD ARG 62 10.065 -5.062 -4.893 462 HD3 ARG 62 1HD ARG 62 9.530 -6.743 -4.883 463 HH11 ARG 62 1HH1 ARG 62 10.709 -6.388 -6.734 464 HH12 ARG 62 2HH1 ARG 62 10.437 -6.429 -8.457 465 HH21 ARG 62 1HH2 ARG 62 7.156 -5.184 -8.259 466 HH22 ARG 62 2HH2 ARG 62 8.427 -5.739 -9.315 467 H PHE 63 HN PHE 63 5.219 -5.248 -1.757 468 HA PHE 63 HA PHE 63 6.645 -6.057 0.687 469 HD1 PHE 63 2HD PHE 63 5.371 -5.060 3.013 470 HD2 PHE 63 1HD PHE 63 3.046 -4.136 -0.432 471 HE1 PHE 63 2HE PHE 63 4.933 -2.814 3.914 472 HE2 PHE 63 1HE PHE 63 2.606 -1.888 0.465 473 HZ PHE 63 HZ PHE 63 3.551 -1.222 2.640 474 HB2 PHE 63 2HB PHE 63 3.717 -6.355 -0.024 475 HB3 PHE 63 1HB PHE 63 4.455 -6.826 1.502 476 H LYS 64 HN LYS 64 7.506 -8.011 0.769 477 HA LYS 64 HA LYS 64 6.553 -10.073 -1.104 478 HB2 LYS 64 2HB LYS 64 8.946 -9.660 -1.291 479 HB3 LYS 64 1HB LYS 64 9.150 -9.878 0.443 480 HG2 LYS 64 2HG LYS 64 8.265 -12.232 0.103 481 HG3 LYS 64 1HG LYS 64 8.472 -11.945 -1.624 482 HD2 LYS 64 2HD LYS 64 10.828 -11.605 -1.351 483 HD3 LYS 64 1HD LYS 64 10.679 -11.656 0.409 484 HE2 LYS 64 2HE LYS 64 9.863 -13.998 0.207 485 HE3 LYS 64 1HE LYS 64 10.185 -13.921 -1.524 486 HZ1 LYS 64 3HZ LYS 64 12.239 -13.511 0.584 487 HZ2 LYS 64 1HZ LYS 64 12.506 -13.608 -1.087 488 HZ3 LYS 64 2HZ LYS 64 11.984 -14.974 -0.230 489 H PHE 65 HN PHE 65 5.191 -11.487 -0.263 490 HA PHE 65 HA PHE 65 5.111 -11.852 2.625 491 HD1 PHE 65 2HD PHE 65 2.450 -11.131 3.591 492 HD2 PHE 65 1HD PHE 65 2.876 -10.734 -0.621 493 HE1 PHE 65 2HE PHE 65 1.336 -8.942 3.690 494 HE2 PHE 65 1HE PHE 65 1.764 -8.541 -0.531 495 HZ PHE 65 HZ PHE 65 0.992 -7.644 1.627 496 HB2 PHE 65 2HB PHE 65 3.256 -12.840 0.448 497 HB3 PHE 65 1HB PHE 65 2.992 -13.051 2.178 498 H GLU 66 HN GLU 66 4.464 -14.268 3.207 499 HA GLU 66 HA GLU 66 6.810 -15.800 2.541 500 HB2 GLU 66 2HB GLU 66 4.432 -16.321 4.332 501 HB3 GLU 66 1HB GLU 66 5.769 -17.439 4.146 502 HG2 GLU 66 2HG GLU 66 6.229 -14.610 4.991 503 HG3 GLU 66 1HG GLU 66 5.768 -15.850 6.156 504 H VAL 67 HN VAL 67 3.312 -16.050 2.110 505 HA VAL 67 HA VAL 67 3.818 -17.852 -0.162 506 HB VAL 67 HB VAL 67 1.730 -19.060 0.297 507 HG11 VAL 67 1HG1 VAL 67 3.820 -19.969 1.157 508 HG12 VAL 67 2HG1 VAL 67 2.475 -20.344 2.235 509 HG13 VAL 67 3HG1 VAL 67 3.610 -19.059 2.653 510 HG21 VAL 67 3HG2 VAL 67 0.574 -18.793 2.441 511 HG22 VAL 67 1HG2 VAL 67 0.518 -17.315 1.482 512 HG23 VAL 67 2HG2 VAL 67 1.636 -17.442 2.839 513 H SER 68 HN SER 68 2.216 -17.728 -1.859 514 HA SER 68 HA SER 68 1.579 -15.067 -2.491 515 HG SER 68 HG SER 68 2.389 -17.010 -5.230 516 HB2 SER 68 2HB SER 68 0.519 -17.580 -3.792 517 HB3 SER 68 1HB SER 68 0.620 -15.976 -4.515 518 H ALA 69 HN ALA 69 -0.126 -17.422 -0.729 519 HA ALA 69 HA ALA 69 -2.774 -16.524 -1.166 520 HB1 ALA 69 1HB ALA 69 -1.613 -17.898 1.258 521 HB2 ALA 69 2HB ALA 69 -2.270 -18.702 -0.168 522 HB3 ALA 69 3HB ALA 69 -3.327 -17.748 0.872 523 H GLU 70 HN GLU 70 -0.234 -15.595 1.094 524 HA GLU 70 HA GLU 70 -1.785 -13.846 2.687 525 HB2 GLU 70 2HB GLU 70 1.188 -13.894 2.133 526 HB3 GLU 70 1HB GLU 70 0.423 -12.953 3.403 527 HG2 GLU 70 2HG GLU 70 -0.301 -14.956 4.519 528 HG3 GLU 70 1HG GLU 70 0.297 -15.951 3.193 529 H LYS 71 HN LYS 71 0.039 -13.466 -0.278 530 HA LYS 71 HA LYS 71 -0.024 -10.705 -0.631 531 HB2 LYS 71 2HB LYS 71 1.116 -12.295 -2.142 532 HB3 LYS 71 1HB LYS 71 -0.435 -12.873 -2.701 533 HG2 LYS 71 2HG LYS 71 -0.923 -10.605 -3.571 534 HG3 LYS 71 1HG LYS 71 0.712 -10.120 -3.114 535 HD2 LYS 71 2HD LYS 71 1.698 -11.548 -4.685 536 HD3 LYS 71 1HD LYS 71 0.223 -12.493 -4.882 537 HE2 LYS 71 2HE LYS 71 0.611 -11.089 -6.828 538 HE3 LYS 71 1HE LYS 71 -0.850 -10.590 -5.981 539 HZ1 LYS 71 3HZ LYS 71 0.327 -8.754 -5.023 540 HZ2 LYS 71 1HZ LYS 71 0.543 -8.720 -6.700 541 HZ3 LYS 71 2HZ LYS 71 1.796 -9.268 -5.699 542 H LEU 72 HN LEU 72 -2.258 -13.099 -1.909 543 HA LEU 72 HA LEU 72 -4.208 -11.387 -2.880 544 HG LEU 72 HG LEU 72 -2.998 -14.158 -3.641 545 HB2 LEU 72 2HB LEU 72 -4.565 -14.161 -1.748 546 HB3 LEU 72 1HB LEU 72 -5.752 -13.317 -2.723 547 HD11 LEU 72 1HD1 LEU 72 -4.219 -15.726 -5.075 548 HD12 LEU 72 2HD1 LEU 72 -5.733 -15.235 -4.317 549 HD13 LEU 72 3HD1 LEU 72 -4.494 -16.055 -3.365 550 HD21 LEU 72 3HD2 LEU 72 -3.753 -13.446 -5.858 551 HD22 LEU 72 1HD2 LEU 72 -3.729 -12.098 -4.719 552 HD23 LEU 72 2HD2 LEU 72 -5.260 -12.857 -5.155 553 H ILE 73 HN ILE 73 -4.073 -12.908 0.355 554 HA ILE 73 HA ILE 73 -6.484 -11.882 1.336 555 HB ILE 73 HB ILE 73 -3.942 -12.502 2.852 556 HG12 ILE 73 2HG1 ILE 73 -6.461 -14.125 2.434 557 HG13 ILE 73 1HG1 ILE 73 -4.924 -14.406 1.624 558 HG21 ILE 73 1HG2 ILE 73 -5.338 -11.016 4.169 559 HG22 ILE 73 2HG2 ILE 73 -5.379 -12.643 4.847 560 HG23 ILE 73 3HG2 ILE 73 -6.740 -12.052 3.893 561 HD11 ILE 73 3HD1 ILE 73 -5.442 -14.639 4.578 562 HD12 ILE 73 1HD1 ILE 73 -3.887 -14.889 3.787 563 HD13 ILE 73 2HD1 ILE 73 -5.237 -15.970 3.439 564 H PHE 74 HN PHE 74 -3.202 -10.516 1.533 565 HA PHE 74 HA PHE 74 -3.912 -8.186 2.944 566 HD1 PHE 74 2HD PHE 74 -2.042 -6.790 4.198 567 HD2 PHE 74 1HD PHE 74 -0.908 -6.713 0.101 568 HE1 PHE 74 2HE PHE 74 -1.250 -4.477 4.462 569 HE2 PHE 74 1HE PHE 74 -0.113 -4.398 0.359 570 HZ PHE 74 HZ PHE 74 -0.288 -3.278 2.542 571 HB2 PHE 74 2HB PHE 74 -1.602 -8.906 2.784 572 HB3 PHE 74 1HB PHE 74 -1.621 -8.704 1.036 573 H GLU 75 HN GLU 75 -3.709 -8.875 -0.516 574 HA GLU 75 HA GLU 75 -4.278 -6.224 -1.357 575 HB2 GLU 75 2HB GLU 75 -4.554 -8.856 -2.811 576 HB3 GLU 75 1HB GLU 75 -4.703 -7.279 -3.573 577 HG2 GLU 75 2HG GLU 75 -2.389 -6.767 -2.869 578 HG3 GLU 75 1HG GLU 75 -2.257 -8.401 -2.224 579 H LEU 76 HN LEU 76 -6.275 -8.955 -0.463 580 HA LEU 76 HA LEU 76 -8.722 -7.952 -1.436 581 HG LEU 76 HG LEU 76 -7.722 -10.726 -1.639 582 HB2 LEU 76 2HB LEU 76 -7.941 -9.932 0.680 583 HB3 LEU 76 1HB LEU 76 -9.604 -9.528 0.381 584 HD11 LEU 76 1HD1 LEU 76 -10.010 -11.947 -0.103 585 HD12 LEU 76 2HD1 LEU 76 -8.296 -12.307 0.111 586 HD13 LEU 76 3HD1 LEU 76 -9.106 -12.733 -1.396 587 HD21 LEU 76 3HD2 LEU 76 -9.713 -10.995 -3.030 588 HD22 LEU 76 1HD2 LEU 76 -9.415 -9.293 -2.672 589 HD23 LEU 76 2HD2 LEU 76 -10.682 -10.167 -1.812 590 H LYS 77 HN LYS 77 -7.064 -7.712 1.690 591 HA LYS 77 HA LYS 77 -9.127 -6.253 2.981 592 HB2 LYS 77 2HB LYS 77 -6.190 -6.532 3.606 593 HB3 LYS 77 1HB LYS 77 -7.333 -5.693 4.645 594 HG2 LYS 77 2HG LYS 77 -8.631 -7.778 4.851 595 HG3 LYS 77 1HG LYS 77 -7.407 -8.604 3.885 596 HD2 LYS 77 2HD LYS 77 -5.727 -8.170 5.551 597 HD3 LYS 77 1HD LYS 77 -6.852 -7.176 6.479 598 HE2 LYS 77 2HE LYS 77 -7.162 -10.123 5.923 599 HE3 LYS 77 1HE LYS 77 -6.594 -9.423 7.436 600 HZ1 LYS 77 3HZ LYS 77 -8.731 -8.333 7.701 601 HZ2 LYS 77 1HZ LYS 77 -8.938 -10.004 7.543 602 HZ3 LYS 77 2HZ LYS 77 -9.280 -8.982 6.235 603 H THR 78 HN THR 78 -6.200 -5.291 1.252 604 HA THR 78 HA THR 78 -6.424 -2.535 1.871 605 HB THR 78 HB THR 78 -4.885 -2.288 -0.183 606 HG1 THR 78 1HG THR 78 -4.542 -5.081 0.175 607 HG21 THR 78 3HG2 THR 78 -4.096 -2.233 2.124 608 HG22 THR 78 1HG2 THR 78 -2.962 -3.118 1.104 609 HG23 THR 78 2HG2 THR 78 -4.061 -3.996 2.168 610 H ARG 79 HN ARG 79 -7.989 -4.546 -0.443 611 HA ARG 79 HA ARG 79 -8.803 -2.689 -2.352 612 HE ARG 79 HE ARG 79 -11.400 -5.809 -4.585 613 HB2 ARG 79 2HB ARG 79 -9.810 -5.285 -1.311 614 HB3 ARG 79 1HB ARG 79 -10.914 -4.320 -2.268 615 HG2 ARG 79 2HG ARG 79 -8.177 -4.823 -3.310 616 HG3 ARG 79 1HG ARG 79 -9.381 -6.111 -3.389 617 HD2 ARG 79 2HD ARG 79 -9.855 -3.327 -4.435 618 HD3 ARG 79 1HD ARG 79 -9.225 -4.641 -5.428 619 HH11 ARG 79 1HH1 ARG 79 -11.063 -2.427 -5.437 620 HH12 ARG 79 2HH1 ARG 79 -12.683 -2.281 -6.027 621 HH21 ARG 79 1HH2 ARG 79 -13.531 -5.632 -5.364 622 HH22 ARG 79 2HH2 ARG 79 -14.104 -4.103 -5.975 623 H SER 80 HN SER 80 -10.205 -3.547 0.781 624 HA SER 80 HA SER 80 -12.436 -1.820 0.470 625 HG SER 80 HG SER 80 -13.376 -4.048 1.103 626 HB2 SER 80 2HB SER 80 -11.378 -3.206 2.934 627 HB3 SER 80 1HB SER 80 -12.984 -2.526 2.726 628 H LEU 81 HN LEU 81 -9.375 -1.655 2.217 629 HA LEU 81 HA LEU 81 -10.036 0.747 3.593 630 HG LEU 81 HG LEU 81 -6.884 1.480 3.161 631 HB2 LEU 81 2HB LEU 81 -8.457 -0.559 4.691 632 HB3 LEU 81 1HB LEU 81 -7.582 -0.919 3.213 633 HD11 LEU 81 1HD1 LEU 81 -7.935 1.449 5.986 634 HD12 LEU 81 2HD1 LEU 81 -8.572 2.400 4.643 635 HD13 LEU 81 3HD1 LEU 81 -6.957 2.732 5.270 636 HD21 LEU 81 3HD2 LEU 81 -5.353 -0.258 3.853 637 HD22 LEU 81 1HD2 LEU 81 -5.993 -0.203 5.495 638 HD23 LEU 81 2HD2 LEU 81 -5.113 1.180 4.845 639 H ALA 82 HN ALA 82 -8.248 -0.098 0.677 640 HA ALA 82 HA ALA 82 -7.791 2.769 0.186 641 HB1 ALA 82 1HB ALA 82 -5.820 2.133 -1.116 642 HB2 ALA 82 2HB ALA 82 -6.118 0.436 -0.739 643 HB3 ALA 82 3HB ALA 82 -5.704 1.565 0.550 644 H ARG 83 HN ARG 83 -9.947 2.726 -0.697 645 HA ARG 83 HA ARG 83 -10.249 1.356 -3.257 646 HE ARG 83 HE ARG 83 -15.218 -0.464 -2.976 647 HB2 ARG 83 2HB ARG 83 -12.015 1.767 -1.258 648 HB3 ARG 83 1HB ARG 83 -12.353 3.182 -2.246 649 HG2 ARG 83 2HG ARG 83 -12.722 1.694 -4.184 650 HG3 ARG 83 1HG ARG 83 -12.495 0.304 -3.118 651 HD2 ARG 83 2HD ARG 83 -14.351 1.256 -1.695 652 HD3 ARG 83 1HD ARG 83 -14.658 2.390 -3.009 653 HH11 ARG 83 1HH1 ARG 83 -14.939 2.461 -4.882 654 HH12 ARG 83 2HH1 ARG 83 -15.985 1.898 -6.147 655 HH21 ARG 83 1HH2 ARG 83 -16.621 -1.205 -4.612 656 HH22 ARG 83 2HH2 ARG 83 -16.953 -0.197 -5.985 657 H LEU 84 HN LEU 84 -8.772 4.017 -2.263 658 HA LEU 84 HA LEU 84 -9.770 5.815 -4.330 659 HG LEU 84 HG LEU 84 -10.047 6.019 -1.196 660 HB2 LEU 84 2HB LEU 84 -7.774 6.330 -2.128 661 HB3 LEU 84 1HB LEU 84 -8.405 7.535 -3.231 662 HD11 LEU 84 1HD1 LEU 84 -8.484 7.567 -0.141 663 HD12 LEU 84 2HD1 LEU 84 -10.145 8.141 0.003 664 HD13 LEU 84 3HD1 LEU 84 -9.060 8.869 -1.183 665 HD21 LEU 84 3HD2 LEU 84 -11.812 7.598 -1.761 666 HD22 LEU 84 1HD2 LEU 84 -11.318 6.683 -3.186 667 HD23 LEU 84 2HD2 LEU 84 -10.773 8.347 -2.974 668 H GLU 85 HN GLU 85 -7.817 3.407 -4.275 669 HA GLU 85 HA GLU 85 -5.876 4.619 -6.120 670 HB2 GLU 85 2HB GLU 85 -4.205 2.982 -5.427 671 HB3 GLU 85 1HB GLU 85 -4.746 3.914 -4.040 672 HG2 GLU 85 2HG GLU 85 -6.007 2.115 -3.193 673 HG3 GLU 85 1HG GLU 85 -5.883 1.218 -4.706 674 H HIS 86 HN HIS 86 -4.805 2.518 -7.314 675 HA HIS 86 HA HIS 86 -7.083 0.915 -8.253 676 HD1 HIS 86 1HD HIS 86 -5.642 4.487 -9.962 677 HD2 HIS 86 2HD HIS 86 -8.660 1.719 -10.707 678 HE1 HIS 86 1HE HIS 86 -7.649 5.836 -10.663 679 HE2 HIS 86 2HE HIS 86 -9.505 4.151 -10.948 680 HB2 HIS 86 2HB HIS 86 -4.828 2.096 -9.882 681 HB3 HIS 86 1HB HIS 86 -5.920 0.853 -10.491 682 H HIS 87 HN HIS 87 -6.453 -0.528 -6.600 683 HA HIS 87 HA HIS 87 -3.859 -1.736 -6.568 684 HD1 HIS 87 1HD HIS 87 -3.403 -1.246 -3.496 685 HD2 HIS 87 2HD HIS 87 -4.554 -5.117 -4.524 686 HE1 HIS 87 1HE HIS 87 -1.891 -2.781 -2.189 687 HE2 HIS 87 2HE HIS 87 -2.720 -5.102 -2.695 688 HB2 HIS 87 2HB HIS 87 -5.687 -1.400 -4.674 689 HB3 HIS 87 1HB HIS 87 -6.229 -2.979 -5.227 690 H HIS 88 HN HIS 88 -3.370 -2.871 -8.382 691 HA HIS 88 HA HIS 88 -5.343 -4.742 -9.466 692 HD1 HIS 88 1HD HIS 88 -4.015 -3.854 -13.478 693 HD2 HIS 88 2HD HIS 88 -5.806 -2.048 -10.182 694 HE1 HIS 88 1HE HIS 88 -5.698 -2.236 -14.417 695 HE2 HIS 88 2HE HIS 88 -6.611 -1.009 -12.415 696 HB2 HIS 88 2HB HIS 88 -2.788 -3.574 -10.539 697 HB3 HIS 88 1HB HIS 88 -3.488 -5.015 -11.264 698 H HIS 89 HN HIS 89 -4.975 -6.930 -9.657 699 HA HIS 89 HA HIS 89 -2.894 -8.036 -7.925 700 HD1 HIS 89 1HD HIS 89 -4.341 -9.355 -5.690 701 HD2 HIS 89 2HD HIS 89 -7.350 -8.245 -8.348 702 HE1 HIS 89 1HE HIS 89 -6.311 -8.700 -4.265 703 HE2 HIS 89 2HE HIS 89 -8.174 -8.221 -5.898 704 HB2 HIS 89 2HB HIS 89 -5.139 -9.443 -9.395 705 HB3 HIS 89 1HB HIS 89 -4.054 -10.183 -8.227 706 H HIS 90 HN HIS 90 -0.968 -8.190 -8.926 707 HA HIS 90 HA HIS 90 -0.780 -8.661 -11.752 708 HD1 HIS 90 1HD HIS 90 2.806 -10.509 -10.651 709 HD2 HIS 90 2HD HIS 90 1.897 -7.413 -13.281 710 HE1 HIS 90 1HE HIS 90 4.270 -10.874 -12.662 711 HE2 HIS 90 2HE HIS 90 3.774 -8.941 -14.204 712 HB2 HIS 90 2HB HIS 90 0.914 -7.294 -10.641 713 HB3 HIS 90 1HB HIS 90 1.365 -8.651 -9.613 714 H HIS 91 HN HIS 91 -1.090 -10.578 -12.640 715 HA HIS 91 HA HIS 91 -0.344 -12.987 -11.143 716 HD1 HIS 91 1HD HIS 91 -1.632 -14.816 -14.914 717 HD2 HIS 91 2HD HIS 91 -1.936 -15.496 -10.824 718 HE1 HIS 91 1HE HIS 91 -1.629 -17.316 -14.643 719 HE2 HIS 91 2HE HIS 91 -1.649 -17.701 -12.149 720 HB2 HIS 91 2HB HIS 91 -2.661 -12.902 -12.013 721 HB3 HIS 91 1HB HIS 91 -2.030 -12.721 -13.646 Start of MODEL 17 1 HA ALA 1 HA ALA 1 2.370 -6.534 -10.689 2 H1 ALA 1 1HT ALA 1 0.549 -4.995 -10.376 3 H2 ALA 1 2HT ALA 1 -0.027 -6.561 -10.669 4 H3 ALA 1 3HT ALA 1 -0.081 -5.394 -11.900 5 HB1 ALA 1 2HB ALA 1 1.219 -6.891 -13.459 6 HB2 ALA 1 3HB ALA 1 1.184 -8.096 -12.171 7 HB3 ALA 1 1HB ALA 1 2.726 -7.584 -12.858 8 H GLY 2 HN GLY 2 4.302 -5.970 -12.095 9 HA2 GLY 2 2HA GLY 2 4.703 -4.087 -13.908 10 HA3 GLY 2 1HA GLY 2 4.221 -3.079 -12.548 11 H GLU 3 HN GLU 3 6.777 -4.623 -14.083 12 HA GLU 3 HA GLU 3 8.477 -5.098 -11.872 13 HB2 GLU 3 2HB GLU 3 8.817 -6.128 -14.086 14 HB3 GLU 3 1HB GLU 3 9.200 -4.546 -14.744 15 HG2 GLU 3 2HG GLU 3 11.188 -4.390 -13.457 16 HG3 GLU 3 1HG GLU 3 10.768 -5.833 -12.534 17 H ILE 4 HN ILE 4 9.922 -3.832 -10.861 18 HA ILE 4 HA ILE 4 10.325 -1.088 -11.757 19 HB ILE 4 HB ILE 4 10.355 -0.710 -9.147 20 HG12 ILE 4 2HG1 ILE 4 8.331 -2.913 -9.489 21 HG13 ILE 4 1HG1 ILE 4 9.825 -3.014 -8.565 22 HG21 ILE 4 1HG2 ILE 4 8.049 0.140 -9.305 23 HG22 ILE 4 2HG2 ILE 4 7.866 -0.724 -10.832 24 HG23 ILE 4 3HG2 ILE 4 9.037 0.589 -10.696 25 HD11 ILE 4 3HD1 ILE 4 7.914 -2.718 -7.108 26 HD12 ILE 4 1HD1 ILE 4 7.481 -1.230 -7.951 27 HD13 ILE 4 2HD1 ILE 4 8.980 -1.316 -7.026 28 H GLY 5 HN GLY 5 12.231 -0.095 -10.728 29 HA2 GLY 5 2HA GLY 5 14.409 -2.013 -10.668 30 HA3 GLY 5 1HA GLY 5 14.552 -0.266 -10.703 31 H PHE 6 HN PHE 6 13.181 -2.686 -8.545 32 HA PHE 6 HA PHE 6 14.608 -1.393 -6.310 33 HD1 PHE 6 1HD PHE 6 11.159 -0.926 -7.764 34 HD2 PHE 6 2HD PHE 6 12.753 -0.374 -3.858 35 HE1 PHE 6 1HE PHE 6 10.127 1.304 -7.662 36 HE2 PHE 6 2HE PHE 6 11.724 1.857 -3.750 37 HZ PHE 6 HZ PHE 6 10.408 2.700 -5.657 38 HB2 PHE 6 2HB PHE 6 11.951 -2.830 -6.356 39 HB3 PHE 6 1HB PHE 6 12.821 -2.498 -4.865 40 H ILE 7 HN ILE 7 14.843 -3.071 -4.423 41 HA ILE 7 HA ILE 7 16.566 -5.123 -5.345 42 HB ILE 7 HB ILE 7 15.376 -4.743 -2.591 43 HG12 ILE 7 2HG1 ILE 7 18.046 -3.851 -3.699 44 HG13 ILE 7 1HG1 ILE 7 16.669 -2.793 -3.411 45 HG21 ILE 7 1HG2 ILE 7 17.298 -6.081 -1.820 46 HG22 ILE 7 2HG2 ILE 7 17.742 -6.377 -3.501 47 HG23 ILE 7 3HG2 ILE 7 16.216 -6.995 -2.871 48 HD11 ILE 7 3HD1 ILE 7 18.190 -4.339 -1.325 49 HD12 ILE 7 1HD1 ILE 7 16.799 -3.299 -1.021 50 HD13 ILE 7 2HD1 ILE 7 18.301 -2.606 -1.634 51 H ILE 8 HN ILE 8 13.377 -5.213 -3.766 52 HA ILE 8 HA ILE 8 13.077 -8.025 -4.284 53 HB ILE 8 HB ILE 8 11.098 -5.992 -3.247 54 HG12 ILE 8 2HG1 ILE 8 12.677 -8.170 -1.863 55 HG13 ILE 8 1HG1 ILE 8 13.019 -6.446 -1.768 56 HG21 ILE 8 1HG2 ILE 8 10.869 -8.993 -3.457 57 HG22 ILE 8 2HG2 ILE 8 9.903 -7.802 -4.330 58 HG23 ILE 8 3HG2 ILE 8 9.750 -7.951 -2.579 59 HD11 ILE 8 3HD1 ILE 8 10.531 -7.808 -0.761 60 HD12 ILE 8 1HD1 ILE 8 10.878 -6.081 -0.661 61 HD13 ILE 8 2HD1 ILE 8 11.878 -7.234 0.223 62 H LYS 9 HN LYS 9 12.465 -8.870 -6.073 63 HA LYS 9 HA LYS 9 11.311 -7.217 -8.178 64 HB2 LYS 9 2HB LYS 9 12.425 -10.030 -8.244 65 HB3 LYS 9 1HB LYS 9 11.945 -9.081 -9.643 66 HG2 LYS 9 2HG LYS 9 13.688 -7.503 -9.280 67 HG3 LYS 9 1HG LYS 9 14.076 -8.207 -7.713 68 HD2 LYS 9 2HD LYS 9 14.712 -10.309 -8.894 69 HD3 LYS 9 1HD LYS 9 14.482 -9.456 -10.424 70 HE2 LYS 9 2HE LYS 9 16.195 -7.858 -9.839 71 HE3 LYS 9 1HE LYS 9 16.370 -8.583 -8.241 72 HZ1 LYS 9 3HZ LYS 9 18.129 -9.351 -9.638 73 HZ2 LYS 9 1HZ LYS 9 17.041 -9.836 -10.848 74 HZ3 LYS 9 2HZ LYS 9 17.073 -10.649 -9.360 75 H GLU 10 HN GLU 10 9.829 -8.873 -9.679 76 HA GLU 10 HA GLU 10 7.448 -8.970 -8.129 77 HB2 GLU 10 2HB GLU 10 8.035 -9.796 -10.966 78 HB3 GLU 10 1HB GLU 10 6.438 -9.750 -10.255 79 HG2 GLU 10 2HG GLU 10 6.879 -7.302 -9.769 80 HG3 GLU 10 1HG GLU 10 8.263 -7.459 -10.851 81 H GLY 11 HN GLY 11 5.973 -10.849 -8.190 82 HA2 GLY 11 2HA GLY 11 6.852 -13.482 -8.606 83 HA3 GLY 11 1HA GLY 11 7.099 -13.063 -6.913 84 H ASP 12 HN ASP 12 5.349 -15.080 -7.660 85 HA ASP 12 HA ASP 12 2.673 -14.152 -7.937 86 HB2 ASP 12 2HB ASP 12 3.607 -16.478 -8.505 87 HB3 ASP 12 1HB ASP 12 3.450 -16.825 -6.789 88 H GLU 13 HN GLU 13 4.806 -14.426 -5.288 89 HA GLU 13 HA GLU 13 2.573 -13.912 -3.429 90 HB2 GLU 13 2HB GLU 13 4.005 -14.692 -1.619 91 HB3 GLU 13 1HB GLU 13 3.849 -15.932 -2.852 92 HG2 GLU 13 2HG GLU 13 6.201 -14.068 -2.668 93 HG3 GLU 13 1HG GLU 13 6.140 -15.642 -1.877 94 H VAL 14 HN VAL 14 4.538 -12.221 -5.230 95 HA VAL 14 HA VAL 14 5.313 -10.329 -3.110 96 HB VAL 14 HB VAL 14 6.356 -10.448 -5.946 97 HG11 VAL 14 1HG1 VAL 14 8.070 -8.902 -5.118 98 HG12 VAL 14 2HG1 VAL 14 7.267 -8.862 -3.549 99 HG13 VAL 14 3HG1 VAL 14 6.449 -8.223 -4.975 100 HG21 VAL 14 3HG2 VAL 14 7.664 -11.378 -3.391 101 HG22 VAL 14 1HG2 VAL 14 8.413 -11.349 -4.986 102 HG23 VAL 14 2HG2 VAL 14 7.046 -12.420 -4.673 103 H ALA 15 HN ALA 15 4.212 -8.476 -2.954 104 HA ALA 15 HA ALA 15 2.770 -7.511 -5.335 105 HB1 ALA 15 1HB ALA 15 0.886 -6.859 -3.908 106 HB2 ALA 15 2HB ALA 15 1.684 -7.606 -2.523 107 HB3 ALA 15 3HB ALA 15 1.160 -8.600 -3.883 108 H ASP 16 HN ASP 16 3.246 -5.483 -5.831 109 HA ASP 16 HA ASP 16 4.454 -3.785 -3.783 110 HB2 ASP 16 2HB ASP 16 5.131 -2.343 -5.691 111 HB3 ASP 16 1HB ASP 16 5.804 -3.963 -5.775 112 H VAL 17 HN VAL 17 3.651 -1.804 -3.293 113 HA VAL 17 HA VAL 17 1.067 -1.070 -4.514 114 HB VAL 17 HB VAL 17 1.799 -0.468 -1.657 115 HG11 VAL 17 1HG1 VAL 17 0.133 0.990 -2.638 116 HG12 VAL 17 2HG1 VAL 17 -0.599 -0.045 -1.410 117 HG13 VAL 17 3HG1 VAL 17 -0.828 -0.408 -3.120 118 HG21 VAL 17 3HG2 VAL 17 1.690 -2.895 -1.887 119 HG22 VAL 17 1HG2 VAL 17 0.101 -2.758 -2.639 120 HG23 VAL 17 2HG2 VAL 17 0.324 -2.287 -0.954 121 H THR 18 HN THR 18 0.938 0.902 -5.247 122 HA THR 18 HA THR 18 3.145 2.763 -4.665 123 HB THR 18 HB THR 18 1.177 2.829 -6.962 124 HG1 THR 18 1HG THR 18 2.867 1.076 -6.858 125 HG21 THR 18 3HG2 THR 18 2.087 5.038 -6.339 126 HG22 THR 18 1HG2 THR 18 2.680 4.512 -7.914 127 HG23 THR 18 2HG2 THR 18 3.724 4.399 -6.497 128 H ILE 19 HN ILE 19 2.617 4.154 -3.121 129 HA ILE 19 HA ILE 19 -0.221 4.699 -2.628 130 HB ILE 19 HB ILE 19 2.106 5.332 -0.817 131 HG12 ILE 19 2HG1 ILE 19 0.293 2.907 -0.764 132 HG13 ILE 19 1HG1 ILE 19 1.974 2.895 -1.288 133 HG21 ILE 19 1HG2 ILE 19 0.092 6.597 -0.355 134 HG22 ILE 19 2HG2 ILE 19 0.368 5.408 0.920 135 HG23 ILE 19 3HG2 ILE 19 -0.857 5.112 -0.315 136 HD11 ILE 19 3HD1 ILE 19 0.996 3.579 1.473 137 HD12 ILE 19 1HD1 ILE 19 2.679 3.545 0.951 138 HD13 ILE 19 2HD1 ILE 19 1.734 2.056 0.981 139 H PHE 20 HN PHE 20 -1.028 6.746 -2.508 140 HA PHE 20 HA PHE 20 0.758 8.911 -3.400 141 HD1 PHE 20 1HD PHE 20 0.686 9.252 -6.287 142 HD2 PHE 20 2HD PHE 20 -2.330 6.508 -5.078 143 HE1 PHE 20 1HE PHE 20 1.177 7.854 -8.248 144 HE2 PHE 20 2HE PHE 20 -1.841 5.101 -7.036 145 HZ PHE 20 HZ PHE 20 -0.084 5.772 -8.624 146 HB2 PHE 20 2HB PHE 20 -2.177 8.637 -4.063 147 HB3 PHE 20 1HB PHE 20 -1.074 9.861 -4.660 148 H ALA 21 HN ALA 21 0.635 10.796 -2.304 149 HA ALA 21 HA ALA 21 -1.714 11.391 -0.692 150 HB1 ALA 21 1HB ALA 21 -0.426 11.930 1.305 151 HB2 ALA 21 2HB ALA 21 1.050 11.372 0.517 152 HB3 ALA 21 3HB ALA 21 -0.243 10.230 0.880 153 H GLU 22 HN GLU 22 -1.506 13.688 0.213 154 HA GLU 22 HA GLU 22 -0.883 15.355 -2.021 155 HB2 GLU 22 2HB GLU 22 -1.622 16.300 0.748 156 HB3 GLU 22 1HB GLU 22 -1.829 17.157 -0.772 157 HG2 GLU 22 2HG GLU 22 -3.384 14.835 0.301 158 HG3 GLU 22 1HG GLU 22 -3.966 16.421 -0.196 159 H THR 23 HN THR 23 0.545 14.849 1.168 160 HA THR 23 HA THR 23 2.933 16.282 0.236 161 HB THR 23 HB THR 23 3.278 17.065 2.600 162 HG1 THR 23 1HG THR 23 1.515 17.007 4.006 163 HG21 THR 23 3HG2 THR 23 0.789 18.065 1.209 164 HG22 THR 23 1HG2 THR 23 2.442 18.596 0.896 165 HG23 THR 23 2HG2 THR 23 1.687 18.933 2.454 166 H LYS 24 HN LYS 24 4.859 15.754 1.736 167 HA LYS 24 HA LYS 24 5.322 12.987 1.592 168 HB2 LYS 24 2HB LYS 24 7.081 14.768 1.559 169 HB3 LYS 24 1HB LYS 24 6.845 14.968 3.288 170 HG2 LYS 24 2HG LYS 24 7.568 12.692 3.692 171 HG3 LYS 24 1HG LYS 24 7.698 12.399 1.957 172 HD2 LYS 24 2HD LYS 24 9.897 12.804 2.744 173 HD3 LYS 24 1HD LYS 24 9.395 14.254 1.878 174 HE2 LYS 24 2HE LYS 24 10.479 14.972 3.862 175 HE3 LYS 24 1HE LYS 24 8.752 15.237 4.093 176 HZ1 LYS 24 3HZ LYS 24 10.237 12.877 5.120 177 HZ2 LYS 24 1HZ LYS 24 8.619 13.271 5.444 178 HZ3 LYS 24 2HZ LYS 24 9.872 14.251 6.039 179 H ASP 25 HN ASP 25 4.542 15.069 4.340 180 HA ASP 25 HA ASP 25 4.759 13.201 6.395 181 HB2 ASP 25 2HB ASP 25 4.420 15.537 6.895 182 HB3 ASP 25 1HB ASP 25 2.857 15.534 6.088 183 H ALA 26 HN ALA 26 1.899 14.007 4.437 184 HA ALA 26 HA ALA 26 0.161 12.112 5.580 185 HB1 ALA 26 1HB ALA 26 -1.200 12.397 3.577 186 HB2 ALA 26 2HB ALA 26 0.143 13.203 2.766 187 HB3 ALA 26 3HB ALA 26 -0.619 13.954 4.168 188 H LEU 27 HN LEU 27 2.420 11.903 2.878 189 HA LEU 27 HA LEU 27 1.814 9.363 1.932 190 HG LEU 27 HG LEU 27 3.893 8.384 0.654 191 HB2 LEU 27 2HB LEU 27 3.461 11.291 1.172 192 HB3 LEU 27 1HB LEU 27 4.625 10.346 2.071 193 HD11 LEU 27 1HD1 LEU 27 2.951 8.910 -1.525 194 HD12 LEU 27 2HD1 LEU 27 2.762 10.592 -1.031 195 HD13 LEU 27 3HD1 LEU 27 1.843 9.325 -0.217 196 HD21 LEU 27 3HD2 LEU 27 5.403 8.995 -1.155 197 HD22 LEU 27 1HD2 LEU 27 6.042 9.531 0.400 198 HD23 LEU 27 2HD2 LEU 27 5.282 10.691 -0.690 199 H GLU 28 HN GLU 28 4.203 10.424 4.311 200 HA GLU 28 HA GLU 28 5.214 7.928 5.046 201 HB2 GLU 28 2HB GLU 28 5.017 10.535 6.553 202 HB3 GLU 28 1HB GLU 28 5.933 9.155 7.124 203 HG2 GLU 28 2HG GLU 28 7.302 9.243 5.089 204 HG3 GLU 28 1HG GLU 28 6.401 10.666 4.573 205 H SER 29 HN SER 29 2.451 9.747 6.254 206 HA SER 29 HA SER 29 1.893 8.050 8.455 207 HG SER 29 HG SER 29 1.699 11.098 7.706 208 HB2 SER 29 2HB SER 29 0.023 9.862 6.910 209 HB3 SER 29 1HB SER 29 -0.259 9.210 8.520 210 H GLU 30 HN GLU 30 0.646 8.223 5.151 211 HA GLU 30 HA GLU 30 -1.252 6.167 5.331 212 HB2 GLU 30 2HB GLU 30 -0.922 7.923 3.508 213 HB3 GLU 30 1HB GLU 30 0.337 6.877 2.873 214 HG2 GLU 30 2HG GLU 30 -1.607 6.421 1.639 215 HG3 GLU 30 1HG GLU 30 -1.378 5.059 2.733 216 H LEU 31 HN LEU 31 2.120 6.153 4.253 217 HA LEU 31 HA LEU 31 2.432 3.510 3.500 218 HG LEU 31 HG LEU 31 5.149 2.852 4.730 219 HB2 LEU 31 2HB LEU 31 4.131 5.294 3.280 220 HB3 LEU 31 1HB LEU 31 4.418 5.218 5.000 221 HD11 LEU 31 1HD1 LEU 31 3.995 2.318 2.666 222 HD12 LEU 31 2HD1 LEU 31 5.730 2.061 2.490 223 HD13 LEU 31 3HD1 LEU 31 4.978 3.494 1.793 224 HD21 LEU 31 3HD2 LEU 31 7.332 3.412 3.746 225 HD22 LEU 31 1HD2 LEU 31 6.779 4.634 4.892 226 HD23 LEU 31 2HD2 LEU 31 6.662 4.934 3.158 227 H ALA 32 HN ALA 32 2.946 4.921 6.695 228 HA ALA 32 HA ALA 32 3.745 2.634 8.060 229 HB1 ALA 32 1HB ALA 32 2.185 4.976 9.141 230 HB2 ALA 32 2HB ALA 32 3.938 4.886 8.974 231 HB3 ALA 32 3HB ALA 32 3.104 3.814 10.099 232 H LYS 33 HN LYS 33 0.542 3.696 7.172 233 HA LYS 33 HA LYS 33 -0.842 1.896 8.899 234 HB2 LYS 33 2HB LYS 33 -1.563 3.844 6.793 235 HB3 LYS 33 1HB LYS 33 -2.701 2.530 7.065 236 HG2 LYS 33 2HG LYS 33 -1.668 4.391 9.192 237 HG3 LYS 33 1HG LYS 33 -3.234 4.526 8.387 238 HD2 LYS 33 2HD LYS 33 -3.939 2.416 9.261 239 HD3 LYS 33 1HD LYS 33 -2.330 2.089 9.903 240 HE2 LYS 33 2HE LYS 33 -2.557 3.898 11.491 241 HE3 LYS 33 1HE LYS 33 -4.113 4.353 10.791 242 HZ1 LYS 33 3HZ LYS 33 -5.040 2.278 11.491 243 HZ2 LYS 33 1HZ LYS 33 -4.323 3.028 12.831 244 HZ3 LYS 33 2HZ LYS 33 -3.540 1.729 12.059 245 H TYR 34 HN TYR 34 0.095 1.864 5.501 246 HA TYR 34 HA TYR 34 -1.200 -0.598 4.916 247 HD1 TYR 34 1HD TYR 34 -0.734 2.873 3.473 248 HD2 TYR 34 2HD TYR 34 -1.675 -0.947 1.857 249 HE1 TYR 34 1HE TYR 34 -2.659 3.850 2.297 250 HE2 TYR 34 2HE TYR 34 -3.601 0.021 0.677 251 HH TYR 34 HH TYR 34 -5.086 1.956 0.849 252 HB2 TYR 34 2HB TYR 34 0.900 1.032 3.516 253 HB3 TYR 34 1HB TYR 34 0.458 -0.564 2.921 254 H ILE 35 HN ILE 35 2.002 0.264 6.081 255 HA ILE 35 HA ILE 35 3.123 -2.339 5.909 256 HB ILE 35 HB ILE 35 3.823 -0.084 7.803 257 HG12 ILE 35 2HG1 ILE 35 5.070 -0.925 5.176 258 HG13 ILE 35 1HG1 ILE 35 4.061 0.495 5.418 259 HG21 ILE 35 1HG2 ILE 35 5.972 -1.229 8.078 260 HG22 ILE 35 2HG2 ILE 35 5.388 -2.562 7.081 261 HG23 ILE 35 3HG2 ILE 35 4.631 -2.228 8.639 262 HD11 ILE 35 3HD1 ILE 35 6.739 0.003 6.703 263 HD12 ILE 35 1HD1 ILE 35 5.732 1.435 6.920 264 HD13 ILE 35 2HD1 ILE 35 6.421 1.074 5.338 265 H GLU 36 HN GLU 36 1.200 -0.675 8.349 266 HA GLU 36 HA GLU 36 1.368 -2.561 10.385 267 HB2 GLU 36 2HB GLU 36 0.501 -0.331 10.766 268 HB3 GLU 36 1HB GLU 36 -0.812 -0.606 9.630 269 HG2 GLU 36 2HG GLU 36 -1.741 -2.289 11.090 270 HG3 GLU 36 1HG GLU 36 -0.407 -2.056 12.212 271 H LEU 37 HN LEU 37 -0.965 -2.170 7.749 272 HA LEU 37 HA LEU 37 -2.586 -4.374 8.267 273 HG LEU 37 HG LEU 37 -4.561 -3.848 6.926 274 HB2 LEU 37 2HB LEU 37 -2.589 -2.405 6.448 275 HB3 LEU 37 1HB LEU 37 -1.938 -3.686 5.447 276 HD11 LEU 37 1HD1 LEU 37 -4.672 -2.137 5.220 277 HD12 LEU 37 2HD1 LEU 37 -5.583 -3.557 4.706 278 HD13 LEU 37 3HD1 LEU 37 -3.985 -3.243 4.030 279 HD21 LEU 37 3HD2 LEU 37 -3.352 -5.621 4.805 280 HD22 LEU 37 1HD2 LEU 37 -4.975 -5.779 5.473 281 HD23 LEU 37 2HD2 LEU 37 -3.568 -6.030 6.507 282 H ALA 38 HN ALA 38 0.508 -4.120 6.610 283 HA ALA 38 HA ALA 38 0.504 -6.717 5.469 284 HB1 ALA 38 1HB ALA 38 2.844 -4.929 6.127 285 HB2 ALA 38 2HB ALA 38 1.927 -4.927 4.620 286 HB3 ALA 38 3HB ALA 38 2.884 -6.339 5.068 287 H LYS 39 HN LYS 39 1.983 -5.418 8.440 288 HA LYS 39 HA LYS 39 3.146 -7.888 9.209 289 HB2 LYS 39 2HB LYS 39 2.557 -5.353 10.731 290 HB3 LYS 39 1HB LYS 39 3.353 -6.739 11.463 291 HG2 LYS 39 2HG LYS 39 5.130 -6.591 9.766 292 HG3 LYS 39 1HG LYS 39 4.350 -5.155 9.102 293 HD2 LYS 39 2HD LYS 39 5.293 -5.386 11.954 294 HD3 LYS 39 1HD LYS 39 6.267 -4.704 10.653 295 HE2 LYS 39 2HE LYS 39 4.476 -3.035 10.254 296 HE3 LYS 39 1HE LYS 39 3.607 -3.684 11.644 297 HZ1 LYS 39 3HZ LYS 39 4.993 -1.667 12.088 298 HZ2 LYS 39 1HZ LYS 39 6.369 -2.616 11.813 299 HZ3 LYS 39 2HZ LYS 39 5.323 -2.988 13.095 300 H SER 40 HN SER 40 -0.011 -6.553 9.549 301 HA SER 40 HA SER 40 -0.913 -8.203 11.681 302 HG SER 40 HG SER 40 -3.207 -8.331 11.697 303 HB2 SER 40 2HB SER 40 -2.053 -6.110 10.984 304 HB3 SER 40 1HB SER 40 -2.514 -6.882 9.469 305 H VAL 41 HN VAL 41 -0.388 -8.713 8.304 306 HA VAL 41 HA VAL 41 -1.923 -11.211 8.326 307 HB VAL 41 HB VAL 41 -0.516 -9.849 6.016 308 HG11 VAL 41 1HG1 VAL 41 -1.828 -11.379 4.609 309 HG12 VAL 41 2HG1 VAL 41 -2.429 -12.178 6.062 310 HG13 VAL 41 3HG1 VAL 41 -0.712 -12.240 5.670 311 HG21 VAL 41 3HG2 VAL 41 -2.773 -9.225 5.264 312 HG22 VAL 41 1HG2 VAL 41 -2.374 -8.501 6.823 313 HG23 VAL 41 2HG2 VAL 41 -3.443 -9.901 6.748 314 H CYS 42 HN CYS 42 1.346 -9.977 7.731 315 HA CYS 42 HA CYS 42 2.417 -12.620 8.359 316 HG CYS 42 HG CYS 42 2.703 -9.367 6.232 317 HB2 CYS 42 2HB CYS 42 4.083 -12.200 6.473 318 HB3 CYS 42 1HB CYS 42 2.450 -12.645 5.996 319 H ALA 43 HN ALA 43 3.963 -12.472 9.834 320 HA ALA 43 HA ALA 43 5.033 -9.874 10.557 321 HB1 ALA 43 1HB ALA 43 5.544 -12.574 11.803 322 HB2 ALA 43 2HB ALA 43 4.292 -11.439 12.306 323 HB3 ALA 43 3HB ALA 43 5.993 -11.007 12.477 324 H GLY 44 HN GLY 44 5.963 -12.714 8.832 325 HA2 GLY 44 2HA GLY 44 8.774 -11.846 8.760 326 HA3 GLY 44 1HA GLY 44 8.174 -13.425 8.270 327 H VAL 45 HN VAL 45 7.183 -10.131 7.423 328 HA VAL 45 HA VAL 45 7.335 -10.889 4.600 329 HB VAL 45 HB VAL 45 5.213 -9.939 5.413 330 HG11 VAL 45 1HG1 VAL 45 5.034 -7.602 6.070 331 HG12 VAL 45 2HG1 VAL 45 6.786 -7.426 5.961 332 HG13 VAL 45 3HG1 VAL 45 6.080 -8.491 7.178 333 HG21 VAL 45 3HG2 VAL 45 6.672 -8.122 3.499 334 HG22 VAL 45 1HG2 VAL 45 4.922 -8.233 3.683 335 HG23 VAL 45 2HG2 VAL 45 5.835 -9.618 3.080 336 H GLU 46 HN GLU 46 8.871 -10.031 3.267 337 HA GLU 46 HA GLU 46 10.595 -7.913 4.327 338 HB2 GLU 46 2HB GLU 46 10.890 -9.738 1.941 339 HB3 GLU 46 1HB GLU 46 11.941 -8.360 2.214 340 HG2 GLU 46 2HG GLU 46 13.111 -10.215 3.016 341 HG3 GLU 46 1HG GLU 46 12.500 -9.393 4.449 342 H TYR 47 HN TYR 47 10.598 -5.880 3.490 343 HA TYR 47 HA TYR 47 9.190 -5.415 0.983 344 HD1 TYR 47 2HD TYR 47 9.374 -2.030 3.492 345 HD2 TYR 47 1HD TYR 47 7.562 -5.636 4.840 346 HE1 TYR 47 2HE TYR 47 9.665 -1.297 5.822 347 HE2 TYR 47 1HE TYR 47 7.843 -4.914 7.171 348 HH TYR 47 HH TYR 47 9.086 -3.430 8.512 349 HB2 TYR 47 2HB TYR 47 7.993 -3.454 1.990 350 HB3 TYR 47 1HB TYR 47 7.433 -5.023 2.543 351 H ASN 48 HN ASN 48 9.783 -3.570 -0.106 352 HA ASN 48 HA ASN 48 12.022 -2.045 1.060 353 HB2 ASN 48 2HB ASN 48 11.436 -2.378 -1.883 354 HB3 ASN 48 1HB ASN 48 12.781 -1.504 -1.185 355 HD21 ASN 48 1HD2 ASN 48 13.266 -3.563 0.851 356 HD22 ASN 48 2HD2 ASN 48 14.030 -4.863 0.009 357 H VAL 49 HN VAL 49 12.105 0.186 0.364 358 HA VAL 49 HA VAL 49 9.539 1.338 -0.445 359 HB VAL 49 HB VAL 49 11.080 2.316 1.981 360 HG11 VAL 49 1HG1 VAL 49 8.458 3.235 0.810 361 HG12 VAL 49 2HG1 VAL 49 9.985 4.118 0.774 362 HG13 VAL 49 3HG1 VAL 49 9.171 3.819 2.311 363 HG21 VAL 49 3HG2 VAL 49 9.929 0.228 2.490 364 HG22 VAL 49 1HG2 VAL 49 8.419 0.898 1.869 365 HG23 VAL 49 2HG2 VAL 49 9.164 1.586 3.313 366 H SER 50 HN SER 50 9.787 3.158 -1.696 367 HA SER 50 HA SER 50 12.334 3.735 -2.801 368 HG SER 50 HG SER 50 9.969 3.039 -3.795 369 HB2 SER 50 2HB SER 50 10.116 5.723 -2.970 370 HB3 SER 50 1HB SER 50 11.194 5.137 -4.234 371 H GLU 51 HN GLU 51 13.400 5.869 -2.731 372 HA GLU 51 HA GLU 51 13.521 6.909 -0.053 373 HB2 GLU 51 2HB GLU 51 15.178 8.502 -0.950 374 HB3 GLU 51 1HB GLU 51 15.571 6.840 -1.358 375 HG2 GLU 51 2HG GLU 51 14.056 8.505 -3.306 376 HG3 GLU 51 1HG GLU 51 15.792 8.736 -3.126 377 H LEU 52 HN LEU 52 12.442 8.580 0.752 378 HA LEU 52 HA LEU 52 10.383 9.741 -0.879 379 HG LEU 52 HG LEU 52 8.951 8.545 0.684 380 HB2 LEU 52 2HB LEU 52 11.115 10.146 2.019 381 HB3 LEU 52 1HB LEU 52 9.766 10.937 1.233 382 HD11 LEU 52 1HD1 LEU 52 9.627 6.853 2.322 383 HD12 LEU 52 2HD1 LEU 52 10.844 7.960 2.956 384 HD13 LEU 52 3HD1 LEU 52 10.977 7.357 1.305 385 HD21 LEU 52 3HD2 LEU 52 7.807 10.035 2.204 386 HD22 LEU 52 1HD2 LEU 52 8.930 9.618 3.496 387 HD23 LEU 52 2HD2 LEU 52 7.828 8.397 2.860 388 H THR 53 HN THR 53 10.556 11.532 -1.982 389 HA THR 53 HA THR 53 12.935 13.157 -1.737 390 HB THR 53 HB THR 53 11.889 14.380 -3.702 391 HG1 THR 53 1HG THR 53 10.247 12.508 -4.541 392 HG21 THR 53 3HG2 THR 53 12.346 11.409 -3.984 393 HG22 THR 53 1HG2 THR 53 13.594 12.655 -4.005 394 HG23 THR 53 2HG2 THR 53 12.395 12.588 -5.296 395 H GLU 54 HN GLU 54 12.012 15.664 -2.418 396 HA GLU 54 HA GLU 54 10.836 16.532 0.077 397 HB2 GLU 54 2HB GLU 54 12.663 17.808 -1.021 398 HB3 GLU 54 1HB GLU 54 11.587 18.140 -2.373 399 HG2 GLU 54 2HG GLU 54 10.071 19.315 -0.831 400 HG3 GLU 54 1HG GLU 54 11.235 19.055 0.469 401 H GLU 55 HN GLU 55 10.002 16.283 -3.305 402 HA GLU 55 HA GLU 55 7.276 17.202 -2.718 403 HB2 GLU 55 2HB GLU 55 8.939 17.173 -5.216 404 HB3 GLU 55 1HB GLU 55 7.187 17.303 -5.303 405 HG2 GLU 55 2HG GLU 55 9.050 19.193 -3.884 406 HG3 GLU 55 1HG GLU 55 8.204 19.489 -5.405 407 H SER 56 HN SER 56 8.209 14.523 -2.076 408 HA SER 56 HA SER 56 7.221 12.711 -4.015 409 HG SER 56 HG SER 56 7.087 12.898 -0.445 410 HB2 SER 56 2HB SER 56 7.153 11.139 -1.979 411 HB3 SER 56 1HB SER 56 8.716 11.773 -2.480 412 H LYS 57 HN LYS 57 5.180 13.078 -4.681 413 HA LYS 57 HA LYS 57 3.064 13.050 -2.658 414 HB2 LYS 57 2HB LYS 57 3.121 13.770 -5.570 415 HB3 LYS 57 1HB LYS 57 1.604 13.287 -4.828 416 HG2 LYS 57 2HG LYS 57 1.575 15.596 -4.673 417 HG3 LYS 57 1HG LYS 57 2.116 15.089 -3.075 418 HD2 LYS 57 2HD LYS 57 3.515 16.887 -3.688 419 HD3 LYS 57 1HD LYS 57 4.482 15.430 -3.931 420 HE2 LYS 57 2HE LYS 57 3.947 15.479 -6.318 421 HE3 LYS 57 1HE LYS 57 2.986 16.937 -6.073 422 HZ1 LYS 57 3HZ LYS 57 5.100 17.587 -6.881 423 HZ2 LYS 57 1HZ LYS 57 5.918 16.641 -5.739 424 HZ3 LYS 57 2HZ LYS 57 5.056 18.015 -5.243 425 H GLU 58 HN GLU 58 4.947 10.913 -4.067 426 HA GLU 58 HA GLU 58 3.053 8.768 -3.741 427 HB2 GLU 58 2HB GLU 58 3.422 7.771 -5.949 428 HB3 GLU 58 1HB GLU 58 2.649 9.342 -6.087 429 HG2 GLU 58 2HG GLU 58 5.608 9.227 -6.293 430 HG3 GLU 58 1HG GLU 58 4.658 8.610 -7.641 431 H LEU 59 HN LEU 59 4.089 6.694 -3.663 432 HA LEU 59 HA LEU 59 6.935 6.504 -4.056 433 HG LEU 59 HG LEU 59 5.778 4.568 -1.113 434 HB2 LEU 59 2HB LEU 59 7.639 6.015 -1.887 435 HB3 LEU 59 1HB LEU 59 6.610 7.415 -1.690 436 HD11 LEU 59 1HD1 LEU 59 5.894 5.273 1.242 437 HD12 LEU 59 2HD1 LEU 59 6.608 6.802 0.731 438 HD13 LEU 59 3HD1 LEU 59 7.468 5.288 0.449 439 HD21 LEU 59 3HD2 LEU 59 4.397 7.185 -0.523 440 HD22 LEU 59 1HD2 LEU 59 3.851 5.588 -0.012 441 HD23 LEU 59 2HD2 LEU 59 3.895 5.997 -1.728 442 H THR 60 HN THR 60 7.677 4.261 -3.891 443 HA THR 60 HA THR 60 5.427 2.417 -4.358 444 HB THR 60 HB THR 60 8.217 2.056 -5.445 445 HG1 THR 60 1HG THR 60 6.542 3.986 -6.101 446 HG21 THR 60 3HG2 THR 60 6.767 0.081 -5.434 447 HG22 THR 60 1HG2 THR 60 7.062 0.638 -7.080 448 HG23 THR 60 2HG2 THR 60 5.521 0.984 -6.295 449 H ALA 61 HN ALA 61 5.151 1.034 -2.751 450 HA ALA 61 HA ALA 61 7.525 0.059 -1.296 451 HB1 ALA 61 1HB ALA 61 6.010 1.368 0.125 452 HB2 ALA 61 2HB ALA 61 6.065 -0.322 0.624 453 HB3 ALA 61 3HB ALA 61 4.684 0.280 -0.292 454 H ARG 62 HN ARG 62 8.016 -1.979 -1.774 455 HA ARG 62 HA ARG 62 5.846 -3.690 -2.784 456 HE ARG 62 HE ARG 62 6.518 -5.206 -6.293 457 HB2 ARG 62 2HB ARG 62 7.516 -3.384 -4.476 458 HB3 ARG 62 1HB ARG 62 8.804 -3.796 -3.351 459 HG2 ARG 62 2HG ARG 62 8.153 -6.067 -3.285 460 HG3 ARG 62 1HG ARG 62 6.629 -5.726 -4.105 461 HD2 ARG 62 2HD ARG 62 9.225 -5.116 -5.451 462 HD3 ARG 62 1HD ARG 62 8.614 -6.767 -5.428 463 HH11 ARG 62 1HH1 ARG 62 9.790 -5.857 -7.358 464 HH12 ARG 62 2HH1 ARG 62 9.412 -5.674 -9.042 465 HH21 ARG 62 1HH2 ARG 62 5.998 -4.946 -8.488 466 HH22 ARG 62 2HH2 ARG 62 7.240 -5.135 -9.692 467 H PHE 63 HN PHE 63 5.195 -5.312 -1.622 468 HA PHE 63 HA PHE 63 6.873 -6.234 0.619 469 HD1 PHE 63 1HD PHE 63 3.369 -4.295 -0.386 470 HD2 PHE 63 2HD PHE 63 5.454 -5.204 3.213 471 HE1 PHE 63 1HE PHE 63 2.883 -2.038 0.464 472 HE2 PHE 63 2HE PHE 63 4.973 -2.947 4.064 473 HZ PHE 63 HZ PHE 63 3.685 -1.360 2.691 474 HB2 PHE 63 2HB PHE 63 3.887 -6.594 0.242 475 HB3 PHE 63 1HB PHE 63 4.818 -6.948 1.691 476 H LYS 64 HN LYS 64 7.742 -8.231 0.414 477 HA LYS 64 HA LYS 64 6.426 -10.075 -1.458 478 HB2 LYS 64 2HB LYS 64 8.474 -11.352 -1.548 479 HB3 LYS 64 1HB LYS 64 8.824 -9.669 -1.905 480 HG2 LYS 64 2HG LYS 64 10.165 -9.441 -0.129 481 HG3 LYS 64 1HG LYS 64 9.111 -10.393 0.918 482 HD2 LYS 64 2HD LYS 64 10.926 -11.560 -1.191 483 HD3 LYS 64 1HD LYS 64 11.336 -11.419 0.514 484 HE2 LYS 64 2HE LYS 64 8.998 -12.963 -0.589 485 HE3 LYS 64 1HE LYS 64 10.531 -13.666 -0.075 486 HZ1 LYS 64 3HZ LYS 64 8.503 -12.317 1.616 487 HZ2 LYS 64 1HZ LYS 64 10.072 -12.663 2.165 488 HZ3 LYS 64 2HZ LYS 64 9.032 -13.926 1.714 489 H PHE 65 HN PHE 65 5.330 -11.688 -0.709 490 HA PHE 65 HA PHE 65 5.306 -12.169 2.167 491 HD1 PHE 65 1HD PHE 65 2.632 -11.497 3.144 492 HD2 PHE 65 2HD PHE 65 2.944 -11.095 -1.078 493 HE1 PHE 65 1HE PHE 65 1.396 -9.374 3.259 494 HE2 PHE 65 2HE PHE 65 1.710 -8.969 -0.971 495 HZ PHE 65 HZ PHE 65 0.935 -8.107 1.200 496 HB2 PHE 65 2HB PHE 65 3.453 -13.177 -0.011 497 HB3 PHE 65 1HB PHE 65 3.220 -13.399 1.720 498 H GLU 66 HN GLU 66 4.742 -14.657 2.607 499 HA GLU 66 HA GLU 66 7.039 -16.091 1.532 500 HB2 GLU 66 2HB GLU 66 5.155 -16.614 3.821 501 HB3 GLU 66 1HB GLU 66 6.357 -17.781 3.296 502 HG2 GLU 66 2HG GLU 66 6.896 -14.997 4.297 503 HG3 GLU 66 1HG GLU 66 7.196 -16.503 5.166 504 H VAL 67 HN VAL 67 3.521 -16.385 1.719 505 HA VAL 67 HA VAL 67 3.708 -18.270 -0.538 506 HB VAL 67 HB VAL 67 1.609 -19.341 0.217 507 HG11 VAL 67 1HG1 VAL 67 3.724 -20.396 0.736 508 HG12 VAL 67 2HG1 VAL 67 2.587 -20.634 2.063 509 HG13 VAL 67 3HG1 VAL 67 3.872 -19.434 2.207 510 HG21 VAL 67 3HG2 VAL 67 0.704 -17.529 1.565 511 HG22 VAL 67 1HG2 VAL 67 2.013 -17.724 2.731 512 HG23 VAL 67 2HG2 VAL 67 0.826 -19.011 2.512 513 H SER 68 HN SER 68 2.000 -18.149 -2.090 514 HA SER 68 HA SER 68 1.388 -15.522 -2.809 515 HG SER 68 HG SER 68 1.819 -17.442 -5.520 516 HB2 SER 68 2HB SER 68 0.117 -18.075 -3.806 517 HB3 SER 68 1HB SER 68 0.116 -16.520 -4.632 518 H ALA 69 HN ALA 69 -0.302 -17.758 -0.847 519 HA ALA 69 HA ALA 69 -2.921 -16.765 -1.065 520 HB1 ALA 69 1HB ALA 69 -1.596 -18.085 1.300 521 HB2 ALA 69 2HB ALA 69 -2.387 -18.919 -0.037 522 HB3 ALA 69 3HB ALA 69 -3.334 -17.904 1.051 523 H GLU 70 HN GLU 70 -0.141 -15.695 0.759 524 HA GLU 70 HA GLU 70 -1.519 -14.021 2.584 525 HB2 GLU 70 2HB GLU 70 1.347 -14.032 1.630 526 HB3 GLU 70 1HB GLU 70 0.762 -13.027 2.944 527 HG2 GLU 70 2HG GLU 70 0.078 -15.068 4.149 528 HG3 GLU 70 1HG GLU 70 0.780 -16.030 2.850 529 H LYS 71 HN LYS 71 -0.242 -13.566 -0.651 530 HA LYS 71 HA LYS 71 -0.393 -10.763 -0.808 531 HB2 LYS 71 2HB LYS 71 0.626 -12.232 -2.564 532 HB3 LYS 71 1HB LYS 71 -0.986 -12.713 -3.043 533 HG2 LYS 71 2HG LYS 71 -1.505 -10.300 -3.443 534 HG3 LYS 71 1HG LYS 71 0.200 -9.960 -3.189 535 HD2 LYS 71 2HD LYS 71 -0.798 -11.896 -5.261 536 HD3 LYS 71 1HD LYS 71 -0.554 -10.181 -5.589 537 HE2 LYS 71 2HE LYS 71 1.824 -10.548 -4.717 538 HE3 LYS 71 1HE LYS 71 1.483 -12.271 -4.892 539 HZ1 LYS 71 3HZ LYS 71 2.557 -11.459 -6.868 540 HZ2 LYS 71 1HZ LYS 71 1.409 -10.224 -7.045 541 HZ3 LYS 71 2HZ LYS 71 0.949 -11.844 -7.247 542 H LEU 72 HN LEU 72 -2.648 -13.225 -1.879 543 HA LEU 72 HA LEU 72 -4.723 -11.666 -2.777 544 HG LEU 72 HG LEU 72 -3.454 -14.529 -3.224 545 HB2 LEU 72 2HB LEU 72 -4.982 -14.289 -1.302 546 HB3 LEU 72 1HB LEU 72 -6.188 -13.583 -2.358 547 HD11 LEU 72 1HD1 LEU 72 -4.886 -16.389 -2.637 548 HD12 LEU 72 2HD1 LEU 72 -4.709 -16.296 -4.390 549 HD13 LEU 72 3HD1 LEU 72 -6.191 -15.728 -3.619 550 HD21 LEU 72 3HD2 LEU 72 -4.307 -14.166 -5.500 551 HD22 LEU 72 1HD2 LEU 72 -4.231 -12.665 -4.578 552 HD23 LEU 72 2HD2 LEU 72 -5.780 -13.469 -4.826 553 H ILE 73 HN ILE 73 -4.186 -12.781 0.552 554 HA ILE 73 HA ILE 73 -6.537 -11.701 1.659 555 HB ILE 73 HB ILE 73 -3.862 -12.117 3.012 556 HG12 ILE 73 2HG1 ILE 73 -6.252 -13.969 2.872 557 HG13 ILE 73 1HG1 ILE 73 -4.790 -14.150 1.909 558 HG21 ILE 73 1HG2 ILE 73 -5.159 -12.242 5.084 559 HG22 ILE 73 2HG2 ILE 73 -6.630 -11.866 4.187 560 HG23 ILE 73 3HG2 ILE 73 -5.337 -10.671 4.304 561 HD11 ILE 73 3HD1 ILE 73 -4.938 -14.259 4.911 562 HD12 ILE 73 1HD1 ILE 73 -3.485 -14.467 3.936 563 HD13 ILE 73 2HD1 ILE 73 -4.794 -15.643 3.827 564 H PHE 74 HN PHE 74 -3.223 -10.381 1.572 565 HA PHE 74 HA PHE 74 -3.784 -7.938 2.826 566 HD1 PHE 74 2HD PHE 74 -1.625 -6.684 3.940 567 HD2 PHE 74 1HD PHE 74 -1.101 -6.605 -0.281 568 HE1 PHE 74 2HE PHE 74 -0.733 -4.396 4.097 569 HE2 PHE 74 1HE PHE 74 -0.206 -4.319 -0.132 570 HZ PHE 74 HZ PHE 74 -0.020 -3.212 2.059 571 HB2 PHE 74 2HB PHE 74 -1.510 -8.779 2.514 572 HB3 PHE 74 1HB PHE 74 -1.661 -8.609 0.770 573 H GLU 75 HN GLU 75 -3.612 -8.747 -0.624 574 HA GLU 75 HA GLU 75 -4.237 -6.245 -1.685 575 HB2 GLU 75 2HB GLU 75 -4.752 -9.033 -2.721 576 HB3 GLU 75 1HB GLU 75 -5.065 -7.591 -3.672 577 HG2 GLU 75 2HG GLU 75 -2.365 -8.087 -2.483 578 HG3 GLU 75 1HG GLU 75 -2.850 -8.849 -3.999 579 H LEU 76 HN LEU 76 -6.362 -8.816 -0.518 580 HA LEU 76 HA LEU 76 -8.763 -7.656 -1.484 581 HG LEU 76 HG LEU 76 -8.610 -10.294 -2.070 582 HB2 LEU 76 2HB LEU 76 -7.957 -9.879 0.283 583 HB3 LEU 76 1HB LEU 76 -9.538 -9.220 0.589 584 HD11 LEU 76 1HD1 LEU 76 -8.813 -12.049 -0.380 585 HD12 LEU 76 2HD1 LEU 76 -10.074 -12.182 -1.605 586 HD13 LEU 76 3HD1 LEU 76 -10.453 -11.510 -0.019 587 HD21 LEU 76 3HD2 LEU 76 -11.336 -9.405 -1.131 588 HD22 LEU 76 1HD2 LEU 76 -10.975 -10.148 -2.688 589 HD23 LEU 76 2HD2 LEU 76 -10.313 -8.561 -2.294 590 H LYS 77 HN LYS 77 -6.990 -7.476 1.564 591 HA LYS 77 HA LYS 77 -9.031 -6.045 2.940 592 HB2 LYS 77 2HB LYS 77 -6.090 -6.360 3.540 593 HB3 LYS 77 1HB LYS 77 -7.236 -5.572 4.616 594 HG2 LYS 77 2HG LYS 77 -8.538 -7.720 4.638 595 HG3 LYS 77 1HG LYS 77 -7.185 -8.457 3.776 596 HD2 LYS 77 2HD LYS 77 -5.682 -7.849 5.608 597 HD3 LYS 77 1HD LYS 77 -7.029 -7.109 6.474 598 HE2 LYS 77 2HE LYS 77 -6.733 -10.020 5.743 599 HE3 LYS 77 1HE LYS 77 -6.575 -9.321 7.352 600 HZ1 LYS 77 3HZ LYS 77 -8.720 -10.255 7.210 601 HZ2 LYS 77 1HZ LYS 77 -9.029 -9.537 5.705 602 HZ3 LYS 77 2HZ LYS 77 -8.938 -8.576 7.099 603 H THR 78 HN THR 78 -6.130 -5.060 1.148 604 HA THR 78 HA THR 78 -6.300 -2.316 1.800 605 HB THR 78 HB THR 78 -4.940 -1.967 -0.290 606 HG1 THR 78 1HG THR 78 -4.275 -3.802 -1.424 607 HG21 THR 78 3HG2 THR 78 -2.948 -3.103 0.577 608 HG22 THR 78 1HG2 THR 78 -3.969 -4.092 1.624 609 HG23 THR 78 2HG2 THR 78 -3.877 -2.348 1.872 610 H ARG 79 HN ARG 79 -7.630 -4.214 -0.876 611 HA ARG 79 HA ARG 79 -8.836 -2.162 -2.308 612 HE ARG 79 HE ARG 79 -7.804 -6.693 -3.091 613 HB2 ARG 79 2HB ARG 79 -9.401 -5.089 -1.962 614 HB3 ARG 79 1HB ARG 79 -10.443 -4.083 -2.947 615 HG2 ARG 79 2HG ARG 79 -8.572 -3.473 -4.348 616 HG3 ARG 79 1HG ARG 79 -7.488 -4.420 -3.343 617 HD2 ARG 79 2HD ARG 79 -9.871 -5.679 -4.651 618 HD3 ARG 79 1HD ARG 79 -8.369 -5.445 -5.545 619 HH11 ARG 79 1HH1 ARG 79 -9.409 -7.392 -6.128 620 HH12 ARG 79 2HH1 ARG 79 -8.941 -9.070 -6.130 621 HH21 ARG 79 1HH2 ARG 79 -7.223 -8.915 -3.086 622 HH22 ARG 79 2HH2 ARG 79 -7.724 -9.932 -4.399 623 H SER 80 HN SER 80 -10.079 -4.109 0.381 624 HA SER 80 HA SER 80 -12.644 -2.896 0.381 625 HG SER 80 HG SER 80 -11.423 -5.810 0.771 626 HB2 SER 80 2HB SER 80 -11.224 -4.499 2.517 627 HB3 SER 80 1HB SER 80 -12.943 -4.148 2.462 628 H LEU 81 HN LEU 81 -9.586 -2.054 1.730 629 HA LEU 81 HA LEU 81 -10.592 -0.350 3.803 630 HG LEU 81 HG LEU 81 -7.905 1.406 3.077 631 HB2 LEU 81 2HB LEU 81 -8.518 -1.257 4.296 632 HB3 LEU 81 1HB LEU 81 -7.928 -1.062 2.658 633 HD11 LEU 81 1HD1 LEU 81 -8.228 0.525 5.944 634 HD12 LEU 81 2HD1 LEU 81 -9.388 1.470 5.012 635 HD13 LEU 81 3HD1 LEU 81 -7.812 2.154 5.410 636 HD21 LEU 81 3HD2 LEU 81 -5.779 1.319 4.311 637 HD22 LEU 81 1HD2 LEU 81 -5.877 0.098 3.043 638 HD23 LEU 81 2HD2 LEU 81 -6.114 -0.361 4.729 639 H ALA 82 HN ALA 82 -9.320 0.009 0.529 640 HA ALA 82 HA ALA 82 -9.488 2.887 0.589 641 HB1 ALA 82 1HB ALA 82 -7.781 1.804 -0.767 642 HB2 ALA 82 2HB ALA 82 -8.865 2.756 -1.782 643 HB3 ALA 82 3HB ALA 82 -9.025 1.000 -1.722 644 H ARG 83 HN ARG 83 -11.775 2.636 1.364 645 HA ARG 83 HA ARG 83 -13.618 3.147 -0.763 646 HE ARG 83 HE ARG 83 -15.066 -0.873 1.001 647 HB2 ARG 83 2HB ARG 83 -13.484 0.663 -0.789 648 HB3 ARG 83 1HB ARG 83 -13.989 0.638 0.891 649 HG2 ARG 83 2HG ARG 83 -16.147 1.507 0.317 650 HG3 ARG 83 1HG ARG 83 -15.647 1.750 -1.360 651 HD2 ARG 83 2HD ARG 83 -17.013 -0.306 -0.978 652 HD3 ARG 83 1HD ARG 83 -15.440 -0.600 -1.716 653 HH11 ARG 83 1HH1 ARG 83 -17.054 -2.390 -1.438 654 HH12 ARG 83 2HH1 ARG 83 -17.027 -3.949 -0.668 655 HH21 ARG 83 1HH2 ARG 83 -15.048 -2.915 2.031 656 HH22 ARG 83 2HH2 ARG 83 -15.914 -4.236 1.318 657 H LEU 84 HN LEU 84 -15.873 3.496 0.191 658 HA LEU 84 HA LEU 84 -15.564 5.128 2.554 659 HG LEU 84 HG LEU 84 -16.263 5.814 -0.441 660 HB2 LEU 84 2HB LEU 84 -17.974 4.596 0.817 661 HB3 LEU 84 1HB LEU 84 -17.888 5.782 2.102 662 HD11 LEU 84 1HD1 LEU 84 -18.596 6.377 -0.807 663 HD12 LEU 84 2HD1 LEU 84 -17.577 7.807 -0.973 664 HD13 LEU 84 3HD1 LEU 84 -18.528 7.567 0.493 665 HD21 LEU 84 3HD2 LEU 84 -15.478 7.999 0.309 666 HD22 LEU 84 1HD2 LEU 84 -15.008 6.735 1.442 667 HD23 LEU 84 2HD2 LEU 84 -16.358 7.804 1.826 668 H GLU 85 HN GLU 85 -15.274 2.363 3.015 669 HA GLU 85 HA GLU 85 -15.741 0.829 4.613 670 HB2 GLU 85 2HB GLU 85 -17.718 2.904 5.546 671 HB3 GLU 85 1HB GLU 85 -17.389 1.407 6.398 672 HG2 GLU 85 2HG GLU 85 -15.090 2.075 6.744 673 HG3 GLU 85 1HG GLU 85 -15.370 3.561 5.832 674 H HIS 86 HN HIS 86 -17.593 -0.475 5.596 675 HA HIS 86 HA HIS 86 -19.404 -1.810 5.449 676 HD1 HIS 86 1HD HIS 86 -21.454 -0.554 7.162 677 HD2 HIS 86 2HD HIS 86 -20.092 2.586 4.803 678 HE1 HIS 86 1HE HIS 86 -21.474 1.474 8.650 679 HE2 HIS 86 2HE HIS 86 -20.407 3.296 7.267 680 HB2 HIS 86 2HB HIS 86 -20.589 0.216 3.550 681 HB3 HIS 86 1HB HIS 86 -21.453 -0.978 4.510 682 H HIS 87 HN HIS 87 -20.960 -2.878 3.724 683 HA HIS 87 HA HIS 87 -21.256 -4.199 1.918 684 HD1 HIS 87 1HD HIS 87 -22.612 -2.802 -0.825 685 HD2 HIS 87 2HD HIS 87 -19.019 -4.850 -1.277 686 HE1 HIS 87 1HE HIS 87 -22.886 -4.211 -2.896 687 HE2 HIS 87 2HE HIS 87 -20.768 -5.583 -3.035 688 HB2 HIS 87 2HB HIS 87 -20.823 -1.986 0.733 689 HB3 HIS 87 1HB HIS 87 -19.182 -2.559 0.469 690 H HIS 88 HN HIS 88 -20.329 -5.921 3.122 691 HA HIS 88 HA HIS 88 -17.796 -6.857 1.980 692 HD1 HIS 88 1HD HIS 88 -16.389 -7.607 6.442 693 HD2 HIS 88 2HD HIS 88 -16.063 -8.576 2.410 694 HE1 HIS 88 1HE HIS 88 -14.581 -9.348 6.306 695 HE2 HIS 88 2HE HIS 88 -14.595 -10.102 3.901 696 HB2 HIS 88 2HB HIS 88 -17.260 -5.764 4.135 697 HB3 HIS 88 1HB HIS 88 -18.398 -6.826 4.951 698 H HIS 89 HN HIS 89 -19.935 -7.836 0.965 699 HA HIS 89 HA HIS 89 -21.166 -9.691 0.529 700 HD1 HIS 89 1HD HIS 89 -19.183 -12.186 -1.135 701 HD2 HIS 89 2HD HIS 89 -21.638 -13.046 2.116 702 HE1 HIS 89 1HE HIS 89 -20.431 -14.278 -1.759 703 HE2 HIS 89 2HE HIS 89 -21.833 -14.839 0.254 704 HB2 HIS 89 2HB HIS 89 -18.784 -10.652 0.749 705 HB3 HIS 89 1HB HIS 89 -19.293 -11.224 2.335 706 H HIS 90 HN HIS 90 -22.977 -8.897 1.659 707 HA HIS 90 HA HIS 90 -23.183 -9.090 4.489 708 HD1 HIS 90 1HD HIS 90 -27.395 -9.393 3.571 709 HD2 HIS 90 2HD HIS 90 -25.003 -7.046 6.046 710 HE1 HIS 90 1HE HIS 90 -28.747 -9.002 5.654 711 HE2 HIS 90 2HE HIS 90 -27.364 -7.429 7.047 712 HB2 HIS 90 2HB HIS 90 -24.345 -7.334 3.256 713 HB3 HIS 90 1HB HIS 90 -25.311 -8.540 2.414 714 H HIS 91 HN HIS 91 -23.851 -10.672 5.718 715 HA HIS 91 HA HIS 91 -25.838 -12.565 4.738 716 HD1 HIS 91 1HD HIS 91 -24.434 -15.888 3.799 717 HD2 HIS 91 2HD HIS 91 -25.501 -14.875 7.694 718 HE1 HIS 91 1HE HIS 91 -25.666 -17.887 4.715 719 HE2 HIS 91 2HE HIS 91 -26.297 -17.257 7.075 720 HB2 HIS 91 2HB HIS 91 -23.601 -13.649 4.426 721 HB3 HIS 91 1HB HIS 91 -23.307 -13.459 6.151 Start of MODEL 18 1 HA ALA 1 HA ALA 1 2.523 -4.032 -16.002 2 H1 ALA 1 1HT ALA 1 3.092 -5.670 -18.398 3 H2 ALA 1 2HT ALA 1 2.590 -4.050 -18.373 4 H3 ALA 1 3HT ALA 1 1.539 -5.268 -17.843 5 HB1 ALA 1 2HB ALA 1 3.252 -5.972 -14.709 6 HB2 ALA 1 3HB ALA 1 3.417 -6.907 -16.196 7 HB3 ALA 1 1HB ALA 1 1.825 -6.352 -15.675 8 H GLY 2 HN GLY 2 4.368 -3.384 -14.859 9 HA2 GLY 2 2HA GLY 2 6.887 -3.665 -16.386 10 HA3 GLY 2 1HA GLY 2 6.395 -2.155 -15.632 11 H GLU 3 HN GLU 3 8.455 -4.633 -15.318 12 HA GLU 3 HA GLU 3 8.407 -4.757 -12.411 13 HB2 GLU 3 2HB GLU 3 8.986 -6.795 -13.602 14 HB3 GLU 3 1HB GLU 3 10.273 -5.966 -14.464 15 HG2 GLU 3 2HG GLU 3 11.224 -7.321 -12.735 16 HG3 GLU 3 1HG GLU 3 11.446 -5.623 -12.321 17 H ILE 4 HN ILE 4 10.077 -3.934 -11.102 18 HA ILE 4 HA ILE 4 11.577 -1.731 -12.377 19 HB ILE 4 HB ILE 4 10.674 -1.738 -9.500 20 HG12 ILE 4 2HG1 ILE 4 9.252 -0.451 -11.844 21 HG13 ILE 4 1HG1 ILE 4 8.703 -1.908 -11.027 22 HG21 ILE 4 1HG2 ILE 4 11.535 0.467 -11.367 23 HG22 ILE 4 2HG2 ILE 4 12.472 -0.197 -10.028 24 HG23 ILE 4 3HG2 ILE 4 10.986 0.694 -9.706 25 HD11 ILE 4 3HD1 ILE 4 8.353 -0.669 -8.988 26 HD12 ILE 4 1HD1 ILE 4 7.490 0.093 -10.321 27 HD13 ILE 4 2HD1 ILE 4 9.001 0.792 -9.736 28 H GLY 5 HN GLY 5 13.568 -1.122 -11.148 29 HA2 GLY 5 2HA GLY 5 15.127 -3.500 -10.744 30 HA3 GLY 5 1HA GLY 5 15.711 -1.851 -10.707 31 H PHE 6 HN PHE 6 13.230 -3.405 -8.743 32 HA PHE 6 HA PHE 6 14.486 -2.478 -6.314 33 HD1 PHE 6 2HD PHE 6 13.117 -1.367 -4.600 34 HD2 PHE 6 1HD PHE 6 10.391 -2.651 -7.607 35 HE1 PHE 6 2HE PHE 6 11.901 0.759 -4.396 36 HE2 PHE 6 1HE PHE 6 9.172 -0.525 -7.405 37 HZ PHE 6 HZ PHE 6 9.918 1.181 -5.801 38 HB2 PHE 6 2HB PHE 6 12.008 -4.099 -6.878 39 HB3 PHE 6 1HB PHE 6 12.614 -3.899 -5.240 40 H ILE 7 HN ILE 7 14.921 -4.022 -4.518 41 HA ILE 7 HA ILE 7 16.632 -6.145 -5.300 42 HB ILE 7 HB ILE 7 15.365 -5.668 -2.595 43 HG12 ILE 7 2HG1 ILE 7 18.039 -4.716 -3.650 44 HG13 ILE 7 1HG1 ILE 7 16.617 -3.699 -3.442 45 HG21 ILE 7 1HG2 ILE 7 16.305 -7.900 -2.845 46 HG22 ILE 7 2HG2 ILE 7 17.270 -6.936 -1.727 47 HG23 ILE 7 3HG2 ILE 7 17.836 -7.206 -3.375 48 HD11 ILE 7 3HD1 ILE 7 18.107 -5.125 -1.253 49 HD12 ILE 7 1HD1 ILE 7 16.673 -4.123 -1.036 50 HD13 ILE 7 2HD1 ILE 7 18.175 -3.400 -1.614 51 H ILE 8 HN ILE 8 13.337 -5.963 -4.087 52 HA ILE 8 HA ILE 8 12.972 -8.838 -4.360 53 HB ILE 8 HB ILE 8 11.106 -6.678 -3.366 54 HG12 ILE 8 2HG1 ILE 8 12.548 -8.877 -1.883 55 HG13 ILE 8 1HG1 ILE 8 13.094 -7.204 -1.952 56 HG21 ILE 8 1HG2 ILE 8 10.742 -9.671 -3.437 57 HG22 ILE 8 2HG2 ILE 8 9.821 -8.477 -4.351 58 HG23 ILE 8 3HG2 ILE 8 9.685 -8.539 -2.594 59 HD11 ILE 8 3HD1 ILE 8 10.489 -8.140 -0.770 60 HD12 ILE 8 1HD1 ILE 8 11.079 -6.480 -0.808 61 HD13 ILE 8 2HD1 ILE 8 11.935 -7.698 0.137 62 H LYS 9 HN LYS 9 12.084 -9.753 -6.058 63 HA LYS 9 HA LYS 9 11.114 -8.073 -8.235 64 HB2 LYS 9 2HB LYS 9 11.245 -10.191 -9.541 65 HB3 LYS 9 1HB LYS 9 12.780 -9.701 -8.838 66 HG2 LYS 9 2HG LYS 9 12.451 -11.311 -7.026 67 HG3 LYS 9 1HG LYS 9 10.923 -11.808 -7.754 68 HD2 LYS 9 2HD LYS 9 12.036 -12.664 -9.678 69 HD3 LYS 9 1HD LYS 9 13.575 -11.963 -9.171 70 HE2 LYS 9 2HE LYS 9 12.059 -14.141 -7.742 71 HE3 LYS 9 1HE LYS 9 13.517 -14.358 -8.712 72 HZ1 LYS 9 3HZ LYS 9 14.128 -14.285 -6.416 73 HZ2 LYS 9 1HZ LYS 9 13.281 -12.836 -6.172 74 HZ3 LYS 9 2HZ LYS 9 14.666 -12.850 -7.143 75 H GLU 10 HN GLU 10 9.252 -8.874 -9.498 76 HA GLU 10 HA GLU 10 6.911 -9.150 -7.984 77 HB2 GLU 10 2HB GLU 10 7.579 -9.553 -10.889 78 HB3 GLU 10 1HB GLU 10 5.948 -9.719 -10.276 79 HG2 GLU 10 2HG GLU 10 7.479 -7.230 -9.716 80 HG3 GLU 10 1HG GLU 10 6.741 -7.472 -11.300 81 H GLY 11 HN GLY 11 5.294 -10.926 -8.295 82 HA2 GLY 11 2HA GLY 11 5.941 -13.531 -9.063 83 HA3 GLY 11 1HA GLY 11 6.333 -13.379 -7.356 84 H ASP 12 HN ASP 12 4.664 -14.999 -7.043 85 HA ASP 12 HA ASP 12 1.924 -14.099 -7.453 86 HB2 ASP 12 2HB ASP 12 3.121 -16.692 -6.492 87 HB3 ASP 12 1HB ASP 12 1.398 -16.362 -6.346 88 H GLU 13 HN GLU 13 4.314 -14.404 -5.016 89 HA GLU 13 HA GLU 13 2.396 -13.805 -2.872 90 HB2 GLU 13 2HB GLU 13 4.169 -14.384 -1.331 91 HB3 GLU 13 1HB GLU 13 4.030 -15.660 -2.532 92 HG2 GLU 13 2HG GLU 13 6.035 -13.448 -2.798 93 HG3 GLU 13 1HG GLU 13 6.368 -14.899 -1.857 94 H VAL 14 HN VAL 14 3.975 -12.141 -5.082 95 HA VAL 14 HA VAL 14 5.005 -10.072 -3.271 96 HB VAL 14 HB VAL 14 5.613 -10.509 -6.200 97 HG11 VAL 14 1HG1 VAL 14 5.829 -8.182 -5.605 98 HG12 VAL 14 2HG1 VAL 14 7.428 -8.891 -5.825 99 HG13 VAL 14 3HG1 VAL 14 6.809 -8.602 -4.199 100 HG21 VAL 14 3HG2 VAL 14 7.286 -11.098 -3.764 101 HG22 VAL 14 1HG2 VAL 14 7.805 -11.265 -5.439 102 HG23 VAL 14 2HG2 VAL 14 6.517 -12.293 -4.811 103 H ALA 15 HN ALA 15 4.306 -7.994 -3.418 104 HA ALA 15 HA ALA 15 2.764 -7.026 -5.636 105 HB1 ALA 15 1HB ALA 15 0.745 -6.462 -4.360 106 HB2 ALA 15 2HB ALA 15 1.383 -7.331 -2.964 107 HB3 ALA 15 3HB ALA 15 0.989 -8.207 -4.443 108 H ASP 16 HN ASP 16 3.674 -5.074 -5.891 109 HA ASP 16 HA ASP 16 4.526 -3.597 -3.539 110 HB2 ASP 16 2HB ASP 16 5.463 -1.962 -5.122 111 HB3 ASP 16 1HB ASP 16 6.081 -3.579 -5.401 112 H VAL 17 HN VAL 17 3.707 -1.696 -2.902 113 HA VAL 17 HA VAL 17 1.150 -0.901 -4.138 114 HB VAL 17 HB VAL 17 1.972 -0.313 -1.308 115 HG11 VAL 17 1HG1 VAL 17 -0.684 -0.184 -2.705 116 HG12 VAL 17 2HG1 VAL 17 0.312 1.183 -2.207 117 HG13 VAL 17 3HG1 VAL 17 -0.419 0.135 -0.991 118 HG21 VAL 17 3HG2 VAL 17 0.263 -2.587 -2.298 119 HG22 VAL 17 1HG2 VAL 17 0.424 -2.108 -0.609 120 HG23 VAL 17 2HG2 VAL 17 1.825 -2.718 -1.489 121 H THR 18 HN THR 18 1.115 0.961 -5.023 122 HA THR 18 HA THR 18 3.297 2.850 -4.570 123 HB THR 18 HB THR 18 1.197 2.848 -6.751 124 HG1 THR 18 1HG THR 18 2.583 1.060 -6.984 125 HG21 THR 18 3HG2 THR 18 3.778 4.405 -6.480 126 HG22 THR 18 1HG2 THR 18 2.150 5.068 -6.315 127 HG23 THR 18 2HG2 THR 18 2.695 4.443 -7.873 128 H ILE 19 HN ILE 19 2.885 4.327 -3.068 129 HA ILE 19 HA ILE 19 0.093 5.012 -2.488 130 HB ILE 19 HB ILE 19 2.480 5.837 -0.862 131 HG12 ILE 19 2HG1 ILE 19 0.820 3.338 -0.474 132 HG13 ILE 19 1HG1 ILE 19 2.442 3.354 -1.159 133 HG21 ILE 19 1HG2 ILE 19 0.828 5.964 0.952 134 HG22 ILE 19 2HG2 ILE 19 -0.434 5.487 -0.184 135 HG23 ILE 19 3HG2 ILE 19 0.413 7.018 -0.399 136 HD11 ILE 19 3HD1 ILE 19 3.335 4.202 0.926 137 HD12 ILE 19 1HD1 ILE 19 2.438 2.708 1.194 138 HD13 ILE 19 2HD1 ILE 19 1.713 4.259 1.616 139 H PHE 20 HN PHE 20 -0.672 7.031 -2.714 140 HA PHE 20 HA PHE 20 1.147 9.132 -3.596 141 HD1 PHE 20 2HD PHE 20 -3.017 9.152 -4.591 142 HD2 PHE 20 1HD PHE 20 -0.290 6.228 -6.053 143 HE1 PHE 20 2HE PHE 20 -4.889 7.612 -5.000 144 HE2 PHE 20 1HE PHE 20 -2.160 4.687 -6.467 145 HZ PHE 20 HZ PHE 20 -4.463 5.376 -5.938 146 HB2 PHE 20 2HB PHE 20 -0.701 9.726 -5.321 147 HB3 PHE 20 1HB PHE 20 0.437 8.442 -5.699 148 H ALA 21 HN ALA 21 0.664 11.114 -2.886 149 HA ALA 21 HA ALA 21 -1.939 11.889 -1.987 150 HB1 ALA 21 1HB ALA 21 0.179 11.596 0.139 151 HB2 ALA 21 2HB ALA 21 -1.178 10.493 -0.075 152 HB3 ALA 21 3HB ALA 21 -1.469 12.178 0.357 153 H GLU 22 HN GLU 22 -1.527 14.086 -0.574 154 HA GLU 22 HA GLU 22 -0.015 15.693 -2.481 155 HB2 GLU 22 2HB GLU 22 -2.035 16.456 -0.376 156 HB3 GLU 22 1HB GLU 22 -1.271 17.586 -1.485 157 HG2 GLU 22 2HG GLU 22 -2.961 15.242 -2.321 158 HG3 GLU 22 1HG GLU 22 -3.535 16.899 -2.171 159 H THR 23 HN THR 23 0.359 14.542 0.721 160 HA THR 23 HA THR 23 2.526 16.487 1.137 161 HB THR 23 HB THR 23 1.984 16.522 3.570 162 HG1 THR 23 1HG THR 23 -0.595 15.836 3.425 163 HG21 THR 23 3HG2 THR 23 -0.236 17.488 1.761 164 HG22 THR 23 1HG2 THR 23 1.254 18.358 2.127 165 HG23 THR 23 2HG2 THR 23 0.076 18.053 3.402 166 H LYS 24 HN LYS 24 4.212 15.789 2.532 167 HA LYS 24 HA LYS 24 4.993 13.088 2.217 168 HB2 LYS 24 2HB LYS 24 6.603 14.916 2.453 169 HB3 LYS 24 1HB LYS 24 6.040 15.228 4.084 170 HG2 LYS 24 2HG LYS 24 6.823 12.998 4.761 171 HG3 LYS 24 1HG LYS 24 7.429 12.736 3.124 172 HD2 LYS 24 2HD LYS 24 9.210 13.452 4.651 173 HD3 LYS 24 1HD LYS 24 8.943 14.623 3.358 174 HE2 LYS 24 2HE LYS 24 9.208 15.842 5.388 175 HE3 LYS 24 1HE LYS 24 7.506 15.917 4.943 176 HZ1 LYS 24 3HZ LYS 24 8.774 14.350 7.107 177 HZ2 LYS 24 1HZ LYS 24 7.228 13.950 6.522 178 HZ3 LYS 24 2HZ LYS 24 7.510 15.473 7.210 179 H ASP 25 HN ASP 25 3.668 14.928 4.906 180 HA ASP 25 HA ASP 25 3.809 12.987 6.893 181 HB2 ASP 25 2HB ASP 25 1.865 15.244 6.426 182 HB3 ASP 25 1HB ASP 25 1.819 14.236 7.859 183 H ALA 26 HN ALA 26 1.405 13.495 4.354 184 HA ALA 26 HA ALA 26 -0.393 11.496 5.259 185 HB1 ALA 26 1HB ALA 26 0.028 12.574 2.474 186 HB2 ALA 26 2HB ALA 26 -1.078 13.228 3.683 187 HB3 ALA 26 3HB ALA 26 -1.353 11.620 3.012 188 H LEU 27 HN LEU 27 2.233 11.475 2.858 189 HA LEU 27 HA LEU 27 2.101 8.822 2.054 190 HG LEU 27 HG LEU 27 3.477 8.984 -0.024 191 HB2 LEU 27 2HB LEU 27 4.223 10.882 2.203 192 HB3 LEU 27 1HB LEU 27 4.771 9.230 2.060 193 HD11 LEU 27 1HD1 LEU 27 2.851 11.900 0.386 194 HD12 LEU 27 2HD1 LEU 27 1.702 10.562 0.376 195 HD13 LEU 27 3HD1 LEU 27 2.561 10.999 -1.102 196 HD21 LEU 27 3HD2 LEU 27 4.897 10.400 -1.413 197 HD22 LEU 27 1HD2 LEU 27 5.821 9.660 -0.106 198 HD23 LEU 27 2HD2 LEU 27 5.341 11.354 0.002 199 H GLU 28 HN GLU 28 3.957 10.215 4.753 200 HA GLU 28 HA GLU 28 5.092 7.882 5.737 201 HB2 GLU 28 2HB GLU 28 4.190 10.370 7.188 202 HB3 GLU 28 1HB GLU 28 5.224 9.138 7.880 203 HG2 GLU 28 2HG GLU 28 6.933 9.597 6.222 204 HG3 GLU 28 1HG GLU 28 5.885 10.795 5.462 205 H SER 29 HN SER 29 1.969 9.386 6.518 206 HA SER 29 HA SER 29 1.308 7.575 8.584 207 HG SER 29 HG SER 29 0.801 10.689 7.976 208 HB2 SER 29 2HB SER 29 -0.476 9.326 6.881 209 HB3 SER 29 1HB SER 29 -0.954 8.528 8.378 210 H GLU 30 HN GLU 30 0.384 7.705 5.139 211 HA GLU 30 HA GLU 30 -1.320 5.491 5.205 212 HB2 GLU 30 2HB GLU 30 0.251 6.748 2.959 213 HB3 GLU 30 1HB GLU 30 -0.979 5.531 2.743 214 HG2 GLU 30 2HG GLU 30 -1.316 8.328 3.741 215 HG3 GLU 30 1HG GLU 30 -2.008 7.598 2.294 216 H LEU 31 HN LEU 31 2.122 5.813 4.409 217 HA LEU 31 HA LEU 31 2.668 3.202 3.613 218 HG LEU 31 HG LEU 31 5.376 2.755 5.015 219 HB2 LEU 31 2HB LEU 31 4.244 5.116 3.514 220 HB3 LEU 31 1HB LEU 31 4.425 5.040 5.246 221 HD11 LEU 31 1HD1 LEU 31 4.344 2.151 2.893 222 HD12 LEU 31 2HD1 LEU 31 6.099 1.993 2.813 223 HD13 LEU 31 3HD1 LEU 31 5.303 3.380 2.068 224 HD21 LEU 31 3HD2 LEU 31 6.841 4.686 5.223 225 HD22 LEU 31 1HD2 LEU 31 6.789 4.935 3.477 226 HD23 LEU 31 2HD2 LEU 31 7.546 3.486 4.140 227 H ALA 32 HN ALA 32 2.814 4.643 6.826 228 HA ALA 32 HA ALA 32 3.557 2.405 8.301 229 HB1 ALA 32 1HB ALA 32 1.751 4.658 9.177 230 HB2 ALA 32 2HB ALA 32 3.513 4.676 9.212 231 HB3 ALA 32 3HB ALA 32 2.622 3.555 10.241 232 H LYS 33 HN LYS 33 0.323 3.450 7.284 233 HA LYS 33 HA LYS 33 -1.127 1.532 8.754 234 HB2 LYS 33 2HB LYS 33 -1.808 3.021 6.217 235 HB3 LYS 33 1HB LYS 33 -2.947 2.058 7.137 236 HG2 LYS 33 2HG LYS 33 -1.482 4.458 8.200 237 HG3 LYS 33 1HG LYS 33 -3.136 4.468 7.583 238 HD2 LYS 33 2HD LYS 33 -3.785 2.866 9.316 239 HD3 LYS 33 1HD LYS 33 -2.132 2.863 9.933 240 HE2 LYS 33 2HE LYS 33 -2.310 5.235 10.455 241 HE3 LYS 33 1HE LYS 33 -3.942 5.269 9.792 242 HZ1 LYS 33 3HZ LYS 33 -3.068 3.677 12.144 243 HZ2 LYS 33 1HZ LYS 33 -4.641 3.718 11.505 244 HZ3 LYS 33 2HZ LYS 33 -3.965 5.113 12.202 245 H TYR 34 HN TYR 34 0.277 1.486 5.517 246 HA TYR 34 HA TYR 34 -0.841 -1.020 4.783 247 HD1 TYR 34 1HD TYR 34 -1.461 -1.284 2.397 248 HD2 TYR 34 2HD TYR 34 0.588 2.430 2.706 249 HE1 TYR 34 1HE TYR 34 -3.116 -0.254 0.901 250 HE2 TYR 34 2HE TYR 34 -1.063 3.472 1.214 251 HH TYR 34 HH TYR 34 -2.659 2.765 -0.543 252 HB2 TYR 34 2HB TYR 34 1.493 0.565 3.729 253 HB3 TYR 34 1HB TYR 34 1.083 -1.018 3.080 254 H ILE 35 HN ILE 35 2.233 -0.067 6.270 255 HA ILE 35 HA ILE 35 3.352 -2.651 6.421 256 HB ILE 35 HB ILE 35 3.747 -0.346 8.347 257 HG12 ILE 35 2HG1 ILE 35 5.356 -1.148 5.908 258 HG13 ILE 35 1HG1 ILE 35 4.255 0.223 5.986 259 HG21 ILE 35 1HG2 ILE 35 5.885 -1.449 8.864 260 HG22 ILE 35 2HG2 ILE 35 5.424 -2.800 7.826 261 HG23 ILE 35 3HG2 ILE 35 4.498 -2.453 9.287 262 HD11 ILE 35 3HD1 ILE 35 5.657 1.238 7.716 263 HD12 ILE 35 1HD1 ILE 35 6.547 0.950 6.221 264 HD13 ILE 35 2HD1 ILE 35 6.769 -0.126 7.601 265 H GLU 36 HN GLU 36 1.188 -0.867 8.554 266 HA GLU 36 HA GLU 36 0.959 -2.685 10.633 267 HB2 GLU 36 2HB GLU 36 -0.899 -0.651 9.433 268 HB3 GLU 36 1HB GLU 36 -1.394 -1.628 10.789 269 HG2 GLU 36 2HG GLU 36 0.999 0.178 10.760 270 HG3 GLU 36 1HG GLU 36 -0.572 0.577 11.453 271 H LEU 37 HN LEU 37 -0.850 -2.450 7.601 272 HA LEU 37 HA LEU 37 -2.557 -4.656 8.095 273 HG LEU 37 HG LEU 37 -3.098 -1.904 6.945 274 HB2 LEU 37 2HB LEU 37 -1.680 -3.351 5.521 275 HB3 LEU 37 1HB LEU 37 -2.903 -4.603 5.606 276 HD11 LEU 37 1HD1 LEU 37 -3.194 -1.729 4.518 277 HD12 LEU 37 2HD1 LEU 37 -4.776 -1.421 5.236 278 HD13 LEU 37 3HD1 LEU 37 -4.442 -2.973 4.468 279 HD21 LEU 37 3HD2 LEU 37 -5.401 -2.525 7.386 280 HD22 LEU 37 1HD2 LEU 37 -4.308 -3.698 8.115 281 HD23 LEU 37 2HD2 LEU 37 -5.152 -4.093 6.617 282 H ALA 38 HN ALA 38 0.664 -4.347 6.801 283 HA ALA 38 HA ALA 38 0.768 -6.888 5.533 284 HB1 ALA 38 1HB ALA 38 3.047 -5.166 6.503 285 HB2 ALA 38 2HB ALA 38 2.265 -5.043 4.927 286 HB3 ALA 38 3HB ALA 38 3.158 -6.501 5.357 287 H LYS 39 HN LYS 39 1.985 -5.684 8.649 288 HA LYS 39 HA LYS 39 3.071 -8.132 9.524 289 HB2 LYS 39 2HB LYS 39 2.040 -5.788 11.131 290 HB3 LYS 39 1HB LYS 39 3.019 -7.096 11.769 291 HG2 LYS 39 2HG LYS 39 4.865 -6.454 10.331 292 HG3 LYS 39 1HG LYS 39 3.881 -5.166 9.629 293 HD2 LYS 39 2HD LYS 39 4.649 -5.388 12.540 294 HD3 LYS 39 1HD LYS 39 5.424 -4.330 11.358 295 HE2 LYS 39 2HE LYS 39 3.391 -3.087 11.052 296 HE3 LYS 39 1HE LYS 39 2.490 -4.227 12.049 297 HZ1 LYS 39 3HZ LYS 39 3.756 -3.532 13.966 298 HZ2 LYS 39 1HZ LYS 39 3.042 -2.179 13.233 299 HZ3 LYS 39 2HZ LYS 39 4.698 -2.485 13.022 300 H SER 40 HN SER 40 -0.148 -6.826 9.588 301 HA SER 40 HA SER 40 -1.241 -8.534 11.564 302 HG SER 40 HG SER 40 -3.685 -7.589 11.855 303 HB2 SER 40 2HB SER 40 -2.271 -6.389 10.725 304 HB3 SER 40 1HB SER 40 -2.698 -7.241 9.243 305 H VAL 41 HN VAL 41 -0.490 -8.909 8.207 306 HA VAL 41 HA VAL 41 -2.047 -11.379 8.040 307 HB VAL 41 HB VAL 41 -0.565 -9.901 5.860 308 HG11 VAL 41 1HG1 VAL 41 -2.453 -12.251 5.710 309 HG12 VAL 41 2HG1 VAL 41 -0.719 -12.282 5.391 310 HG13 VAL 41 3HG1 VAL 41 -1.796 -11.377 4.327 311 HG21 VAL 41 3HG2 VAL 41 -2.811 -9.278 5.061 312 HG22 VAL 41 1HG2 VAL 41 -2.462 -8.617 6.659 313 HG23 VAL 41 2HG2 VAL 41 -3.511 -10.024 6.499 314 H CYS 42 HN CYS 42 1.293 -10.200 7.581 315 HA CYS 42 HA CYS 42 2.234 -12.951 7.886 316 HG CYS 42 HG CYS 42 3.491 -14.548 5.683 317 HB2 CYS 42 2HB CYS 42 1.920 -12.399 5.438 318 HB3 CYS 42 1HB CYS 42 3.160 -11.167 5.627 319 H ALA 43 HN ALA 43 4.023 -13.087 9.064 320 HA ALA 43 HA ALA 43 5.239 -10.638 10.062 321 HB1 ALA 43 1HB ALA 43 4.615 -12.428 11.632 322 HB2 ALA 43 2HB ALA 43 6.339 -12.062 11.685 323 HB3 ALA 43 3HB ALA 43 5.770 -13.503 10.844 324 H GLY 44 HN GLY 44 5.886 -13.155 7.807 325 HA2 GLY 44 2HA GLY 44 8.749 -12.574 7.725 326 HA3 GLY 44 1HA GLY 44 7.922 -13.852 6.846 327 H VAL 45 HN VAL 45 6.733 -10.594 6.888 328 HA VAL 45 HA VAL 45 6.886 -10.474 4.020 329 HB VAL 45 HB VAL 45 4.894 -9.604 5.075 330 HG11 VAL 45 1HG1 VAL 45 5.816 -8.939 7.216 331 HG12 VAL 45 2HG1 VAL 45 4.937 -7.597 6.486 332 HG13 VAL 45 3HG1 VAL 45 6.700 -7.619 6.449 333 HG21 VAL 45 3HG2 VAL 45 5.590 -8.544 2.990 334 HG22 VAL 45 1HG2 VAL 45 6.543 -7.366 3.893 335 HG23 VAL 45 2HG2 VAL 45 4.785 -7.382 4.044 336 H GLU 46 HN GLU 46 8.454 -9.661 2.873 337 HA GLU 46 HA GLU 46 10.363 -7.800 4.124 338 HB2 GLU 46 2HB GLU 46 10.682 -9.564 1.686 339 HB3 GLU 46 1HB GLU 46 11.894 -8.439 2.280 340 HG2 GLU 46 2HG GLU 46 10.836 -10.814 3.787 341 HG3 GLU 46 1HG GLU 46 12.367 -10.744 2.917 342 H TYR 47 HN TYR 47 10.875 -5.855 3.016 343 HA TYR 47 HA TYR 47 9.308 -5.304 0.628 344 HD1 TYR 47 1HD TYR 47 9.912 -1.699 2.700 345 HD2 TYR 47 2HD TYR 47 8.225 -5.063 4.684 346 HE1 TYR 47 1HE TYR 47 10.540 -0.729 4.868 347 HE2 TYR 47 2HE TYR 47 8.853 -4.103 6.857 348 HH TYR 47 HH TYR 47 10.333 -2.536 7.817 349 HB2 TYR 47 2HB TYR 47 8.369 -3.222 1.547 350 HB3 TYR 47 1HB TYR 47 7.766 -4.662 2.351 351 H ASN 48 HN ASN 48 9.959 -3.638 -0.604 352 HA ASN 48 HA ASN 48 12.319 -2.098 0.276 353 HB2 ASN 48 2HB ASN 48 11.514 -2.694 -2.585 354 HB3 ASN 48 1HB ASN 48 12.933 -1.805 -2.069 355 HD21 ASN 48 1HD2 ASN 48 13.486 -3.680 0.128 356 HD22 ASN 48 2HD2 ASN 48 14.140 -5.091 -0.625 357 H VAL 49 HN VAL 49 12.293 0.135 -0.885 358 HA VAL 49 HA VAL 49 9.713 1.153 -1.580 359 HB VAL 49 HB VAL 49 9.484 0.906 0.894 360 HG11 VAL 49 1HG1 VAL 49 10.684 2.441 2.370 361 HG12 VAL 49 2HG1 VAL 49 11.645 3.000 1.001 362 HG13 VAL 49 3HG1 VAL 49 11.780 1.329 1.548 363 HG21 VAL 49 3HG2 VAL 49 9.440 3.753 -0.105 364 HG22 VAL 49 1HG2 VAL 49 8.571 3.134 1.298 365 HG23 VAL 49 2HG2 VAL 49 8.159 2.559 -0.317 366 H SER 50 HN SER 50 9.775 3.234 -2.395 367 HA SER 50 HA SER 50 12.339 4.256 -3.168 368 HG SER 50 HG SER 50 10.563 3.742 -5.271 369 HB2 SER 50 2HB SER 50 9.743 5.750 -3.452 370 HB3 SER 50 1HB SER 50 11.134 5.740 -4.535 371 H GLU 51 HN GLU 51 12.793 6.667 -2.847 372 HA GLU 51 HA GLU 51 12.529 7.335 -0.048 373 HB2 GLU 51 2HB GLU 51 13.872 9.345 -0.633 374 HB3 GLU 51 1HB GLU 51 14.651 7.840 -1.089 375 HG2 GLU 51 2HG GLU 51 13.067 9.448 -3.062 376 HG3 GLU 51 1HG GLU 51 14.756 9.803 -2.717 377 H LEU 52 HN LEU 52 11.226 8.895 0.822 378 HA LEU 52 HA LEU 52 9.175 9.904 -1.011 379 HG LEU 52 HG LEU 52 9.778 9.816 2.666 380 HB2 LEU 52 2HB LEU 52 7.733 10.044 1.012 381 HB3 LEU 52 1HB LEU 52 8.187 8.422 0.552 382 HD11 LEU 52 1HD1 LEU 52 7.098 8.499 3.091 383 HD12 LEU 52 2HD1 LEU 52 7.468 10.209 3.324 384 HD13 LEU 52 3HD1 LEU 52 8.210 8.995 4.365 385 HD21 LEU 52 3HD2 LEU 52 10.497 7.623 1.838 386 HD22 LEU 52 1HD2 LEU 52 8.918 6.951 2.243 387 HD23 LEU 52 2HD2 LEU 52 9.983 7.534 3.521 388 H THR 53 HN THR 53 9.419 11.946 -1.503 389 HA THR 53 HA THR 53 10.067 13.834 0.657 390 HB THR 53 HB THR 53 11.003 15.361 -1.063 391 HG1 THR 53 1HG THR 53 10.493 13.128 -2.763 392 HG21 THR 53 3HG2 THR 53 12.507 13.921 0.218 393 HG22 THR 53 1HG2 THR 53 13.108 14.153 -1.425 394 HG23 THR 53 2HG2 THR 53 12.314 12.642 -0.980 395 H GLU 54 HN GLU 54 9.250 16.161 -0.142 396 HA GLU 54 HA GLU 54 6.419 15.839 -0.375 397 HB2 GLU 54 2HB GLU 54 8.234 18.218 -0.144 398 HB3 GLU 54 1HB GLU 54 6.497 18.381 -0.337 399 HG2 GLU 54 2HG GLU 54 6.147 17.063 1.692 400 HG3 GLU 54 1HG GLU 54 7.892 16.913 1.886 401 H GLU 55 HN GLU 55 8.985 16.435 -2.601 402 HA GLU 55 HA GLU 55 7.178 17.296 -4.698 403 HB2 GLU 55 2HB GLU 55 10.119 16.634 -4.683 404 HB3 GLU 55 1HB GLU 55 9.236 17.023 -6.155 405 HG2 GLU 55 2HG GLU 55 8.645 19.201 -5.225 406 HG3 GLU 55 1HG GLU 55 9.539 18.813 -3.755 407 H SER 56 HN SER 56 8.185 14.383 -3.311 408 HA SER 56 HA SER 56 7.547 12.767 -5.628 409 HG SER 56 HG SER 56 9.905 11.662 -4.900 410 HB2 SER 56 2HB SER 56 8.082 11.929 -2.762 411 HB3 SER 56 1HB SER 56 8.009 10.868 -4.161 412 H LYS 57 HN LYS 57 5.413 12.929 -6.125 413 HA LYS 57 HA LYS 57 3.400 13.144 -4.083 414 HB2 LYS 57 2HB LYS 57 3.059 12.582 -7.035 415 HB3 LYS 57 1HB LYS 57 1.802 13.096 -5.921 416 HG2 LYS 57 2HG LYS 57 4.203 14.706 -6.761 417 HG3 LYS 57 1HG LYS 57 2.539 14.947 -7.293 418 HD2 LYS 57 2HD LYS 57 3.567 15.233 -4.473 419 HD3 LYS 57 1HD LYS 57 3.147 16.552 -5.565 420 HE2 LYS 57 2HE LYS 57 1.269 14.469 -4.457 421 HE3 LYS 57 1HE LYS 57 1.356 16.163 -3.978 422 HZ1 LYS 57 3HZ LYS 57 0.728 16.773 -6.255 423 HZ2 LYS 57 1HZ LYS 57 -0.465 15.832 -5.492 424 HZ3 LYS 57 2HZ LYS 57 0.563 15.135 -6.645 425 H GLU 58 HN GLU 58 5.181 10.629 -5.296 426 HA GLU 58 HA GLU 58 3.312 8.646 -4.275 427 HB2 GLU 58 2HB GLU 58 3.598 7.225 -6.278 428 HB3 GLU 58 1HB GLU 58 2.786 8.739 -6.659 429 HG2 GLU 58 2HG GLU 58 4.746 9.643 -7.636 430 HG3 GLU 58 1HG GLU 58 5.735 8.314 -7.034 431 H LEU 59 HN LEU 59 4.312 6.842 -3.448 432 HA LEU 59 HA LEU 59 7.142 6.439 -4.095 433 HG LEU 59 HG LEU 59 5.546 4.878 -1.114 434 HB2 LEU 59 2HB LEU 59 7.756 5.880 -1.870 435 HB3 LEU 59 1HB LEU 59 6.973 7.439 -1.817 436 HD11 LEU 59 1HD1 LEU 59 6.922 6.805 0.751 437 HD12 LEU 59 2HD1 LEU 59 7.494 5.187 0.350 438 HD13 LEU 59 3HD1 LEU 59 5.973 5.393 1.218 439 HD21 LEU 59 3HD2 LEU 59 4.056 6.698 -1.624 440 HD22 LEU 59 1HD2 LEU 59 4.958 7.782 -0.564 441 HD23 LEU 59 2HD2 LEU 59 4.061 6.424 0.120 442 H THR 60 HN THR 60 7.751 4.336 -4.345 443 HA THR 60 HA THR 60 5.508 2.454 -4.522 444 HB THR 60 HB THR 60 8.207 2.265 -5.877 445 HG1 THR 60 1HG THR 60 6.797 4.081 -6.550 446 HG21 THR 60 3HG2 THR 60 7.084 0.602 -7.296 447 HG22 THR 60 1HG2 THR 60 5.615 0.776 -6.334 448 HG23 THR 60 2HG2 THR 60 7.076 0.114 -5.601 449 H ALA 61 HN ALA 61 5.369 1.127 -2.839 450 HA ALA 61 HA ALA 61 7.861 0.171 -1.603 451 HB1 ALA 61 1HB ALA 61 6.287 1.265 -0.075 452 HB2 ALA 61 2HB ALA 61 6.504 -0.439 0.326 453 HB3 ALA 61 3HB ALA 61 5.048 0.090 -0.517 454 H ARG 62 HN ARG 62 8.516 -1.704 -2.374 455 HA ARG 62 HA ARG 62 6.621 -3.537 -3.620 456 HE ARG 62 HE ARG 62 6.711 -4.380 -6.455 457 HB2 ARG 62 2HB ARG 62 8.557 -3.106 -4.935 458 HB3 ARG 62 1HB ARG 62 9.629 -3.335 -3.567 459 HG2 ARG 62 2HG ARG 62 9.818 -5.189 -5.086 460 HG3 ARG 62 1HG ARG 62 9.111 -5.728 -3.565 461 HD2 ARG 62 2HD ARG 62 7.980 -6.756 -5.445 462 HD3 ARG 62 1HD ARG 62 6.893 -5.681 -4.578 463 HH11 ARG 62 1HH1 ARG 62 9.521 -6.460 -6.887 464 HH12 ARG 62 2HH1 ARG 62 9.589 -6.183 -8.604 465 HH21 ARG 62 1HH2 ARG 62 6.832 -4.047 -8.694 466 HH22 ARG 62 2HH2 ARG 62 8.092 -4.829 -9.616 467 H PHE 63 HN PHE 63 5.683 -5.013 -2.377 468 HA PHE 63 HA PHE 63 7.106 -5.989 0.003 469 HD1 PHE 63 2HD PHE 63 5.743 -5.263 2.544 470 HD2 PHE 63 1HD PHE 63 3.803 -3.693 -0.903 471 HE1 PHE 63 2HE PHE 63 5.454 -3.110 3.696 472 HE2 PHE 63 1HE PHE 63 3.504 -1.534 0.243 473 HZ PHE 63 HZ PHE 63 4.329 -1.244 2.546 474 HB2 PHE 63 2HB PHE 63 4.151 -6.040 -0.658 475 HB3 PHE 63 1HB PHE 63 4.865 -6.720 0.795 476 H LYS 64 HN LYS 64 7.556 -8.117 0.244 477 HA LYS 64 HA LYS 64 6.159 -9.989 -1.546 478 HB2 LYS 64 2HB LYS 64 8.066 -11.424 -1.655 479 HB3 LYS 64 1HB LYS 64 8.603 -9.811 -2.098 480 HG2 LYS 64 2HG LYS 64 9.690 -9.497 -0.035 481 HG3 LYS 64 1HG LYS 64 8.900 -10.900 0.684 482 HD2 LYS 64 2HD LYS 64 10.737 -11.150 -1.682 483 HD3 LYS 64 1HD LYS 64 11.345 -11.131 -0.032 484 HE2 LYS 64 2HE LYS 64 11.117 -13.413 -0.702 485 HE3 LYS 64 1HE LYS 64 9.852 -13.066 0.473 486 HZ1 LYS 64 3HZ LYS 64 9.145 -14.376 -1.513 487 HZ2 LYS 64 1HZ LYS 64 9.416 -12.997 -2.462 488 HZ3 LYS 64 2HZ LYS 64 8.243 -12.973 -1.239 489 H PHE 65 HN PHE 65 5.329 -11.775 -0.610 490 HA PHE 65 HA PHE 65 5.547 -11.920 2.317 491 HD1 PHE 65 1HD PHE 65 3.111 -11.141 3.731 492 HD2 PHE 65 2HD PHE 65 2.790 -10.731 -0.492 493 HE1 PHE 65 1HE PHE 65 2.058 -8.940 4.031 494 HE2 PHE 65 2HE PHE 65 1.736 -8.525 -0.200 495 HZ PHE 65 HZ PHE 65 1.371 -7.628 2.063 496 HB2 PHE 65 2HB PHE 65 3.324 -12.845 0.485 497 HB3 PHE 65 1HB PHE 65 3.348 -13.068 2.232 498 H GLU 66 HN GLU 66 4.860 -14.364 2.954 499 HA GLU 66 HA GLU 66 6.989 -15.978 1.970 500 HB2 GLU 66 2HB GLU 66 4.688 -16.697 3.792 501 HB3 GLU 66 1HB GLU 66 6.156 -17.631 3.562 502 HG2 GLU 66 2HG GLU 66 7.461 -15.730 4.448 503 HG3 GLU 66 1HG GLU 66 5.945 -14.892 4.778 504 H VAL 67 HN VAL 67 3.452 -16.182 1.798 505 HA VAL 67 HA VAL 67 3.755 -17.845 -0.601 506 HB VAL 67 HB VAL 67 1.746 -19.129 0.038 507 HG11 VAL 67 1HG1 VAL 67 3.952 -20.049 0.488 508 HG12 VAL 67 2HG1 VAL 67 2.807 -20.529 1.742 509 HG13 VAL 67 3HG1 VAL 67 3.978 -19.249 2.061 510 HG21 VAL 67 3HG2 VAL 67 0.926 -19.061 2.345 511 HG22 VAL 67 1HG2 VAL 67 0.702 -17.511 1.534 512 HG23 VAL 67 2HG2 VAL 67 2.016 -17.719 2.693 513 H SER 68 HN SER 68 1.568 -17.953 -1.795 514 HA SER 68 HA SER 68 0.995 -15.322 -2.616 515 HG SER 68 HG SER 68 1.446 -17.002 -4.927 516 HB2 SER 68 2HB SER 68 -0.617 -17.790 -3.256 517 HB3 SER 68 1HB SER 68 -0.440 -16.333 -4.235 518 H ALA 69 HN ALA 69 -0.519 -17.471 -0.388 519 HA ALA 69 HA ALA 69 -3.085 -16.337 -0.258 520 HB1 ALA 69 1HB ALA 69 -1.546 -17.712 1.941 521 HB2 ALA 69 2HB ALA 69 -2.526 -18.512 0.713 522 HB3 ALA 69 3HB ALA 69 -3.290 -17.452 1.897 523 H GLU 70 HN GLU 70 -0.101 -15.558 1.461 524 HA GLU 70 HA GLU 70 -1.118 -13.724 3.314 525 HB2 GLU 70 2HB GLU 70 1.560 -13.389 1.978 526 HB3 GLU 70 1HB GLU 70 1.110 -13.006 3.629 527 HG2 GLU 70 2HG GLU 70 1.300 -15.796 2.537 528 HG3 GLU 70 1HG GLU 70 2.601 -14.967 3.384 529 H LYS 71 HN LYS 71 0.019 -13.358 0.014 530 HA LYS 71 HA LYS 71 -0.112 -10.567 -0.214 531 HB2 LYS 71 2HB LYS 71 0.862 -12.436 -1.781 532 HB3 LYS 71 1HB LYS 71 -0.730 -12.405 -2.502 533 HG2 LYS 71 2HG LYS 71 0.953 -9.935 -2.228 534 HG3 LYS 71 1HG LYS 71 1.040 -11.005 -3.627 535 HD2 LYS 71 2HD LYS 71 -1.506 -9.715 -2.658 536 HD3 LYS 71 1HD LYS 71 -0.465 -9.020 -3.901 537 HE2 LYS 71 2HE LYS 71 -1.702 -11.765 -4.064 538 HE3 LYS 71 1HE LYS 71 -2.408 -10.319 -4.783 539 HZ1 LYS 71 3HZ LYS 71 0.267 -11.432 -5.442 540 HZ2 LYS 71 1HZ LYS 71 -0.440 -10.059 -6.142 541 HZ3 LYS 71 2HZ LYS 71 -1.124 -11.593 -6.393 542 H LEU 72 HN LEU 72 -2.406 -13.079 -1.153 543 HA LEU 72 HA LEU 72 -4.436 -11.454 -2.150 544 HG LEU 72 HG LEU 72 -3.287 -14.241 -2.810 545 HB2 LEU 72 2HB LEU 72 -4.645 -14.127 -0.758 546 HB3 LEU 72 1HB LEU 72 -5.943 -13.379 -1.667 547 HD11 LEU 72 1HD1 LEU 72 -4.598 -15.975 -3.941 548 HD12 LEU 72 2HD1 LEU 72 -6.034 -15.457 -3.058 549 HD13 LEU 72 3HD1 LEU 72 -4.663 -16.143 -2.187 550 HD21 LEU 72 3HD2 LEU 72 -4.324 -13.772 -4.979 551 HD22 LEU 72 1HD2 LEU 72 -4.209 -12.320 -3.982 552 HD23 LEU 72 2HD2 LEU 72 -5.755 -13.151 -4.154 553 H ILE 73 HN ILE 73 -4.005 -12.666 1.172 554 HA ILE 73 HA ILE 73 -6.391 -11.565 2.202 555 HB ILE 73 HB ILE 73 -3.826 -12.234 3.662 556 HG12 ILE 73 2HG1 ILE 73 -6.358 -13.843 3.261 557 HG13 ILE 73 1HG1 ILE 73 -4.833 -14.122 2.424 558 HG21 ILE 73 1HG2 ILE 73 -6.612 -11.842 4.750 559 HG22 ILE 73 2HG2 ILE 73 -5.253 -10.740 4.970 560 HG23 ILE 73 3HG2 ILE 73 -5.200 -12.356 5.674 561 HD11 ILE 73 3HD1 ILE 73 -5.303 -14.378 5.387 562 HD12 ILE 73 1HD1 ILE 73 -3.767 -14.641 4.561 563 HD13 ILE 73 2HD1 ILE 73 -5.137 -15.702 4.233 564 H PHE 74 HN PHE 74 -3.158 -10.233 1.845 565 HA PHE 74 HA PHE 74 -3.653 -7.815 3.268 566 HD1 PHE 74 2HD PHE 74 -1.486 -6.384 4.147 567 HD2 PHE 74 1HD PHE 74 -1.197 -6.552 -0.096 568 HE1 PHE 74 2HE PHE 74 -0.658 -4.067 4.113 569 HE2 PHE 74 1HE PHE 74 -0.369 -4.237 -0.133 570 HZ PHE 74 HZ PHE 74 -0.097 -2.991 1.973 571 HB2 PHE 74 2HB PHE 74 -1.378 -8.565 2.838 572 HB3 PHE 74 1HB PHE 74 -1.647 -8.498 1.101 573 H GLU 75 HN GLU 75 -3.764 -8.681 -0.174 574 HA GLU 75 HA GLU 75 -4.535 -6.116 -1.067 575 HB2 GLU 75 2HB GLU 75 -4.644 -8.845 -2.322 576 HB3 GLU 75 1HB GLU 75 -5.247 -7.424 -3.157 577 HG2 GLU 75 2HG GLU 75 -2.440 -7.767 -2.131 578 HG3 GLU 75 1HG GLU 75 -2.952 -8.015 -3.797 579 H LEU 76 HN LEU 76 -6.405 -8.877 0.057 580 HA LEU 76 HA LEU 76 -8.944 -8.064 -0.752 581 HG LEU 76 HG LEU 76 -7.983 -10.767 -0.652 582 HB2 LEU 76 2HB LEU 76 -7.882 -9.635 1.578 583 HB3 LEU 76 1HB LEU 76 -9.580 -9.297 1.431 584 HD11 LEU 76 1HD1 LEU 76 -9.820 -11.845 1.486 585 HD12 LEU 76 2HD1 LEU 76 -8.068 -12.036 1.436 586 HD13 LEU 76 3HD1 LEU 76 -9.073 -12.785 0.195 587 HD21 LEU 76 3HD2 LEU 76 -10.954 -10.445 -0.266 588 HD22 LEU 76 1HD2 LEU 76 -10.162 -11.369 -1.543 589 HD23 LEU 76 2HD2 LEU 76 -9.981 -9.615 -1.481 590 H LYS 77 HN LYS 77 -6.949 -7.166 1.979 591 HA LYS 77 HA LYS 77 -8.908 -5.539 3.258 592 HB2 LYS 77 2HB LYS 77 -5.920 -5.798 3.530 593 HB3 LYS 77 1HB LYS 77 -6.849 -4.659 4.488 594 HG2 LYS 77 2HG LYS 77 -8.154 -6.471 5.429 595 HG3 LYS 77 1HG LYS 77 -7.291 -7.635 4.423 596 HD2 LYS 77 2HD LYS 77 -5.210 -7.098 5.552 597 HD3 LYS 77 1HD LYS 77 -6.029 -5.866 6.514 598 HE2 LYS 77 2HE LYS 77 -5.699 -7.967 7.754 599 HE3 LYS 77 1HE LYS 77 -7.401 -7.547 7.571 600 HZ1 LYS 77 3HZ LYS 77 -5.943 -9.512 5.893 601 HZ2 LYS 77 1HZ LYS 77 -7.590 -9.141 5.779 602 HZ3 LYS 77 2HZ LYS 77 -6.986 -9.907 7.165 603 H THR 78 HN THR 78 -6.164 -4.875 1.109 604 HA THR 78 HA THR 78 -6.340 -2.063 1.270 605 HB THR 78 HB THR 78 -4.971 -2.186 -0.905 606 HG1 THR 78 1HG THR 78 -4.405 -4.175 -1.610 607 HG21 THR 78 3HG2 THR 78 -2.970 -2.930 0.300 608 HG22 THR 78 1HG2 THR 78 -3.985 -3.635 1.556 609 HG23 THR 78 2HG2 THR 78 -3.968 -1.889 1.315 610 H ARG 79 HN ARG 79 -7.841 -4.397 -0.946 611 HA ARG 79 HA ARG 79 -8.567 -2.705 -2.997 612 HE ARG 79 HE ARG 79 -10.433 -6.907 -2.638 613 HB2 ARG 79 2HB ARG 79 -9.894 -5.159 -1.879 614 HB3 ARG 79 1HB ARG 79 -10.503 -4.329 -3.288 615 HG2 ARG 79 2HG ARG 79 -8.181 -4.634 -4.280 616 HG3 ARG 79 1HG ARG 79 -7.914 -5.779 -2.963 617 HD2 ARG 79 2HD ARG 79 -9.959 -5.919 -5.165 618 HD3 ARG 79 1HD ARG 79 -8.642 -7.041 -4.837 619 HH11 ARG 79 1HH1 ARG 79 -10.128 -8.205 -5.876 620 HH12 ARG 79 2HH1 ARG 79 -11.191 -9.549 -5.575 621 HH21 ARG 79 1HH2 ARG 79 -11.905 -8.621 -2.259 622 HH22 ARG 79 2HH2 ARG 79 -12.203 -9.787 -3.522 623 H SER 80 HN SER 80 -10.446 -3.485 -0.072 624 HA SER 80 HA SER 80 -12.509 -1.617 -0.890 625 HG SER 80 HG SER 80 -14.818 -3.119 0.820 626 HB2 SER 80 2HB SER 80 -12.953 -3.891 0.191 627 HB3 SER 80 1HB SER 80 -12.418 -3.159 1.701 628 H LEU 81 HN LEU 81 -9.646 -1.515 0.909 629 HA LEU 81 HA LEU 81 -10.416 0.544 2.739 630 HG LEU 81 HG LEU 81 -7.362 1.631 2.245 631 HB2 LEU 81 2HB LEU 81 -8.642 -0.766 3.496 632 HB3 LEU 81 1HB LEU 81 -7.856 -0.782 1.930 633 HD11 LEU 81 1HD1 LEU 81 -7.438 2.563 4.498 634 HD12 LEU 81 2HD1 LEU 81 -8.217 1.093 5.084 635 HD13 LEU 81 3HD1 LEU 81 -9.053 2.135 3.931 636 HD21 LEU 81 3HD2 LEU 81 -6.204 -0.305 4.240 637 HD22 LEU 81 1HD2 LEU 81 -5.482 1.242 3.793 638 HD23 LEU 81 2HD2 LEU 81 -5.650 -0.033 2.587 639 H ALA 82 HN ALA 82 -8.587 0.345 -0.297 640 HA ALA 82 HA ALA 82 -8.306 3.222 -0.433 641 HB1 ALA 82 1HB ALA 82 -7.537 1.087 -2.419 642 HB2 ALA 82 2HB ALA 82 -6.482 1.789 -1.193 643 HB3 ALA 82 3HB ALA 82 -7.088 2.790 -2.514 644 H ARG 83 HN ARG 83 -10.885 1.544 -0.715 645 HA ARG 83 HA ARG 83 -11.864 2.511 -3.285 646 HE ARG 83 HE ARG 83 -16.990 0.620 -2.899 647 HB2 ARG 83 2HB ARG 83 -12.400 0.221 -2.702 648 HB3 ARG 83 1HB ARG 83 -13.102 0.731 -1.176 649 HG2 ARG 83 2HG ARG 83 -14.889 1.877 -2.368 650 HG3 ARG 83 1HG ARG 83 -14.171 1.396 -3.909 651 HD2 ARG 83 2HD ARG 83 -14.533 -0.926 -3.420 652 HD3 ARG 83 1HD ARG 83 -15.073 -0.542 -1.786 653 HH11 ARG 83 1HH1 ARG 83 -15.264 -1.944 -4.544 654 HH12 ARG 83 2HH1 ARG 83 -16.633 -2.431 -5.496 655 HH21 ARG 83 1HH2 ARG 83 -18.799 -0.014 -4.130 656 HH22 ARG 83 2HH2 ARG 83 -18.664 -1.339 -5.241 657 H LEU 84 HN LEU 84 -11.853 3.339 0.020 658 HA LEU 84 HA LEU 84 -12.869 4.859 1.311 659 HG LEU 84 HG LEU 84 -11.042 5.830 -1.126 660 HB2 LEU 84 2HB LEU 84 -13.468 6.227 -1.295 661 HB3 LEU 84 1HB LEU 84 -13.449 6.953 0.292 662 HD11 LEU 84 1HD1 LEU 84 -11.808 7.883 -2.156 663 HD12 LEU 84 2HD1 LEU 84 -10.326 8.178 -1.248 664 HD13 LEU 84 3HD1 LEU 84 -11.881 8.674 -0.581 665 HD21 LEU 84 3HD2 LEU 84 -11.280 7.279 1.510 666 HD22 LEU 84 1HD2 LEU 84 -9.768 6.846 0.711 667 HD23 LEU 84 2HD2 LEU 84 -10.857 5.582 1.286 668 H GLU 85 HN GLU 85 -14.414 3.003 1.518 669 HA GLU 85 HA GLU 85 -16.505 2.327 2.035 670 HB2 GLU 85 2HB GLU 85 -17.141 5.265 1.732 671 HB3 GLU 85 1HB GLU 85 -18.143 4.077 2.557 672 HG2 GLU 85 2HG GLU 85 -16.297 3.672 4.141 673 HG3 GLU 85 1HG GLU 85 -15.383 4.960 3.357 674 H HIS 86 HN HIS 86 -18.935 3.853 0.998 675 HA HIS 86 HA HIS 86 -20.553 3.123 -0.396 676 HD1 HIS 86 1HD HIS 86 -16.882 5.108 -1.791 677 HD2 HIS 86 2HD HIS 86 -18.994 3.005 -4.681 678 HE1 HIS 86 1HE HIS 86 -15.299 4.842 -3.721 679 HE2 HIS 86 2HE HIS 86 -16.661 3.747 -5.535 680 HB2 HIS 86 2HB HIS 86 -20.413 3.998 -2.595 681 HB3 HIS 86 1HB HIS 86 -19.557 5.098 -1.533 682 H HIS 87 HN HIS 87 -20.217 0.949 0.363 683 HA HIS 87 HA HIS 87 -19.398 -0.813 -1.834 684 HD1 HIS 87 1HD HIS 87 -16.427 0.049 1.532 685 HD2 HIS 87 2HD HIS 87 -20.149 -1.611 2.385 686 HE1 HIS 87 1HE HIS 87 -16.801 0.439 3.990 687 HE2 HIS 87 2HE HIS 87 -19.070 -0.535 4.484 688 HB2 HIS 87 2HB HIS 87 -18.357 -2.342 -0.084 689 HB3 HIS 87 1HB HIS 87 -17.472 -0.878 -0.485 690 H HIS 88 HN HIS 88 -22.036 -0.286 -1.401 691 HA HIS 88 HA HIS 88 -23.260 -2.305 0.229 692 HD1 HIS 88 1HD HIS 88 -25.758 1.313 -1.321 693 HD2 HIS 88 2HD HIS 88 -24.257 -0.973 1.812 694 HE1 HIS 88 1HE HIS 88 -26.243 2.624 0.770 695 HE2 HIS 88 2HE HIS 88 -25.588 1.078 2.648 696 HB2 HIS 88 2HB HIS 88 -24.293 -0.648 -2.078 697 HB3 HIS 88 1HB HIS 88 -25.279 -1.865 -1.281 698 H HIS 89 HN HIS 89 -22.206 -2.020 -3.078 699 HA HIS 89 HA HIS 89 -22.058 -4.944 -3.200 700 HD1 HIS 89 1HD HIS 89 -25.551 -3.048 -5.045 701 HD2 HIS 89 2HD HIS 89 -23.953 -6.789 -4.173 702 HE1 HIS 89 1HE HIS 89 -27.518 -4.521 -4.522 703 HE2 HIS 89 2HE HIS 89 -26.515 -6.715 -3.808 704 HB2 HIS 89 2HB HIS 89 -23.101 -3.099 -5.356 705 HB3 HIS 89 1HB HIS 89 -22.456 -4.693 -5.730 706 H HIS 90 HN HIS 90 -20.058 -5.623 -3.743 707 HA HIS 90 HA HIS 90 -18.006 -3.636 -3.976 708 HD1 HIS 90 1HD HIS 90 -16.575 -6.741 -6.275 709 HD2 HIS 90 2HD HIS 90 -18.787 -8.294 -3.110 710 HE1 HIS 90 1HE HIS 90 -17.075 -9.120 -6.900 711 HE2 HIS 90 2HE HIS 90 -18.561 -9.981 -5.061 712 HB2 HIS 90 2HB HIS 90 -16.418 -5.425 -3.889 713 HB3 HIS 90 1HB HIS 90 -17.700 -5.821 -2.754 714 H HIS 91 HN HIS 91 -20.052 -5.065 -6.145 715 HA HIS 91 HA HIS 91 -20.273 -4.917 -8.394 716 HD1 HIS 91 1HD HIS 91 -16.657 -3.367 -10.703 717 HD2 HIS 91 2HD HIS 91 -20.810 -3.627 -10.687 718 HE1 HIS 91 1HE HIS 91 -17.357 -3.218 -13.113 719 HE2 HIS 91 2HE HIS 91 -19.880 -3.151 -13.055 720 HB2 HIS 91 2HB HIS 91 -19.084 -2.742 -8.273 721 HB3 HIS 91 1HB HIS 91 -17.550 -3.592 -8.420 Start of MODEL 19 1 HA ALA 1 HA ALA 1 2.284 0.449 -9.400 2 H1 ALA 1 1HT ALA 1 3.913 1.552 -7.986 3 H2 ALA 1 2HT ALA 1 5.164 0.789 -8.834 4 H3 ALA 1 3HT ALA 1 4.060 -0.138 -7.942 5 HB1 ALA 1 2HB ALA 1 2.681 1.801 -11.393 6 HB2 ALA 1 3HB ALA 1 4.354 2.057 -10.895 7 HB3 ALA 1 1HB ALA 1 3.035 2.715 -9.927 8 H GLY 2 HN GLY 2 2.132 -1.637 -9.978 9 HA2 GLY 2 2HA GLY 2 2.440 -3.558 -11.204 10 HA3 GLY 2 1HA GLY 2 3.360 -2.587 -12.346 11 H GLU 3 HN GLU 3 5.526 -2.767 -12.397 12 HA GLU 3 HA GLU 3 6.883 -3.935 -10.081 13 HB2 GLU 3 2HB GLU 3 6.506 -5.748 -11.745 14 HB3 GLU 3 1HB GLU 3 7.417 -4.810 -12.921 15 HG2 GLU 3 2HG GLU 3 9.398 -4.944 -11.530 16 HG3 GLU 3 1HG GLU 3 8.495 -5.837 -10.308 17 H ILE 4 HN ILE 4 8.816 -3.061 -9.658 18 HA ILE 4 HA ILE 4 9.886 -1.058 -11.522 19 HB ILE 4 HB ILE 4 9.776 -0.645 -8.525 20 HG12 ILE 4 2HG1 ILE 4 7.901 0.437 -10.642 21 HG13 ILE 4 1HG1 ILE 4 7.480 -0.692 -9.360 22 HG21 ILE 4 1HG2 ILE 4 10.392 1.211 -10.816 23 HG22 ILE 4 2HG2 ILE 4 11.516 0.625 -9.588 24 HG23 ILE 4 3HG2 ILE 4 10.208 1.717 -9.137 25 HD11 ILE 4 3HD1 ILE 4 6.711 1.559 -8.865 26 HD12 ILE 4 1HD1 ILE 4 8.366 2.156 -8.970 27 HD13 ILE 4 2HD1 ILE 4 7.915 1.026 -7.695 28 H GLY 5 HN GLY 5 12.207 -0.485 -10.833 29 HA2 GLY 5 2HA GLY 5 13.673 -2.938 -10.716 30 HA3 GLY 5 1HA GLY 5 14.346 -1.324 -10.828 31 H PHE 6 HN PHE 6 12.402 -3.029 -8.440 32 HA PHE 6 HA PHE 6 14.140 -2.103 -6.294 33 HD1 PHE 6 1HD PHE 6 13.095 -1.083 -4.095 34 HD2 PHE 6 2HD PHE 6 10.045 -1.826 -6.961 35 HE1 PHE 6 1HE PHE 6 12.132 1.130 -3.628 36 HE2 PHE 6 2HE PHE 6 9.074 0.388 -6.502 37 HZ PHE 6 HZ PHE 6 10.115 1.870 -4.834 38 HB2 PHE 6 2HB PHE 6 11.488 -3.528 -6.378 39 HB3 PHE 6 1HB PHE 6 12.410 -3.437 -4.884 40 H ILE 7 HN ILE 7 14.769 -3.743 -4.611 41 HA ILE 7 HA ILE 7 16.296 -5.835 -5.693 42 HB ILE 7 HB ILE 7 15.284 -5.535 -2.858 43 HG12 ILE 7 2HG1 ILE 7 17.914 -4.704 -4.102 44 HG13 ILE 7 1HG1 ILE 7 16.602 -3.608 -3.685 45 HG21 ILE 7 1HG2 ILE 7 16.027 -7.808 -3.294 46 HG22 ILE 7 2HG2 ILE 7 17.181 -6.978 -2.249 47 HG23 ILE 7 3HG2 ILE 7 17.545 -7.205 -3.959 48 HD11 ILE 7 3HD1 ILE 7 18.196 -5.285 -1.765 49 HD12 ILE 7 1HD1 ILE 7 16.861 -4.219 -1.331 50 HD13 ILE 7 2HD1 ILE 7 18.342 -3.546 -2.013 51 H ILE 8 HN ILE 8 13.102 -5.774 -4.209 52 HA ILE 8 HA ILE 8 12.697 -8.576 -4.936 53 HB ILE 8 HB ILE 8 10.998 -6.716 -3.266 54 HG12 ILE 8 2HG1 ILE 8 12.640 -9.140 -2.524 55 HG13 ILE 8 1HG1 ILE 8 13.118 -7.471 -2.236 56 HG21 ILE 8 1HG2 ILE 8 10.599 -9.640 -3.898 57 HG22 ILE 8 2HG2 ILE 8 9.597 -8.307 -4.470 58 HG23 ILE 8 3HG2 ILE 8 9.647 -8.698 -2.750 59 HD11 ILE 8 3HD1 ILE 8 10.739 -8.860 -1.028 60 HD12 ILE 8 1HD1 ILE 8 11.197 -7.179 -0.757 61 HD13 ILE 8 2HD1 ILE 8 12.257 -8.480 -0.216 62 H LYS 9 HN LYS 9 11.658 -9.103 -6.698 63 HA LYS 9 HA LYS 9 10.204 -7.034 -8.183 64 HB2 LYS 9 2HB LYS 9 11.451 -9.658 -8.992 65 HB3 LYS 9 1HB LYS 9 10.409 -8.731 -10.060 66 HG2 LYS 9 2HG LYS 9 11.937 -6.916 -10.123 67 HG3 LYS 9 1HG LYS 9 12.898 -7.601 -8.811 68 HD2 LYS 9 2HD LYS 9 12.530 -8.893 -11.511 69 HD3 LYS 9 1HD LYS 9 13.913 -7.892 -11.064 70 HE2 LYS 9 2HE LYS 9 14.347 -9.468 -9.180 71 HE3 LYS 9 1HE LYS 9 13.071 -10.502 -9.816 72 HZ1 LYS 9 3HZ LYS 9 14.311 -10.786 -11.842 73 HZ2 LYS 9 1HZ LYS 9 15.296 -11.200 -10.521 74 HZ3 LYS 9 2HZ LYS 9 15.513 -9.712 -11.311 75 H GLU 10 HN GLU 10 8.461 -8.415 -9.703 76 HA GLU 10 HA GLU 10 6.431 -8.975 -7.799 77 HB2 GLU 10 2HB GLU 10 6.642 -8.640 -10.689 78 HB3 GLU 10 1HB GLU 10 5.414 -9.797 -10.201 79 HG2 GLU 10 2HG GLU 10 5.622 -7.028 -9.065 80 HG3 GLU 10 1HG GLU 10 4.638 -7.439 -10.464 81 H GLY 11 HN GLY 11 4.958 -10.859 -8.107 82 HA2 GLY 11 2HA GLY 11 5.851 -13.366 -8.971 83 HA3 GLY 11 1HA GLY 11 6.304 -13.182 -7.279 84 H ASP 12 HN ASP 12 4.798 -15.031 -7.028 85 HA ASP 12 HA ASP 12 1.986 -14.322 -7.308 86 HB2 ASP 12 2HB ASP 12 3.125 -16.642 -7.832 87 HB3 ASP 12 1HB ASP 12 2.883 -16.908 -6.106 88 H GLU 13 HN GLU 13 4.446 -14.399 -4.964 89 HA GLU 13 HA GLU 13 2.481 -14.035 -2.800 90 HB2 GLU 13 2HB GLU 13 4.838 -14.372 -1.488 91 HB3 GLU 13 1HB GLU 13 3.701 -15.663 -1.830 92 HG2 GLU 13 2HG GLU 13 5.944 -16.351 -2.382 93 HG3 GLU 13 1HG GLU 13 4.972 -16.240 -3.847 94 H VAL 14 HN VAL 14 4.126 -12.249 -4.864 95 HA VAL 14 HA VAL 14 4.959 -10.219 -2.906 96 HB VAL 14 HB VAL 14 5.594 -10.346 -5.862 97 HG11 VAL 14 1HG1 VAL 14 5.605 -8.081 -4.959 98 HG12 VAL 14 2HG1 VAL 14 7.232 -8.616 -5.378 99 HG13 VAL 14 3HG1 VAL 14 6.721 -8.588 -3.691 100 HG21 VAL 14 3HG2 VAL 14 7.843 -11.008 -5.188 101 HG22 VAL 14 1HG2 VAL 14 6.644 -12.186 -4.652 102 HG23 VAL 14 2HG2 VAL 14 7.334 -11.041 -3.500 103 H ALA 15 HN ALA 15 4.049 -8.203 -2.903 104 HA ALA 15 HA ALA 15 2.045 -7.589 -4.968 105 HB1 ALA 15 1HB ALA 15 0.840 -8.313 -2.980 106 HB2 ALA 15 2HB ALA 15 0.601 -6.588 -3.253 107 HB3 ALA 15 3HB ALA 15 1.716 -7.137 -2.001 108 H ASP 16 HN ASP 16 1.743 -5.328 -5.346 109 HA ASP 16 HA ASP 16 3.945 -3.652 -4.338 110 HB2 ASP 16 2HB ASP 16 4.324 -4.255 -6.678 111 HB3 ASP 16 1HB ASP 16 2.742 -3.624 -7.108 112 H VAL 17 HN VAL 17 3.465 -1.657 -3.705 113 HA VAL 17 HA VAL 17 0.728 -0.656 -4.089 114 HB VAL 17 HB VAL 17 2.171 -0.419 -1.454 115 HG11 VAL 17 1HG1 VAL 17 -0.006 0.281 -0.604 116 HG12 VAL 17 2HG1 VAL 17 -0.692 0.103 -2.218 117 HG13 VAL 17 3HG1 VAL 17 0.544 1.325 -1.916 118 HG21 VAL 17 3HG2 VAL 17 1.656 -2.779 -1.836 119 HG22 VAL 17 1HG2 VAL 17 -0.027 -2.362 -2.155 120 HG23 VAL 17 2HG2 VAL 17 0.657 -2.105 -0.549 121 H THR 18 HN THR 18 0.629 1.430 -4.560 122 HA THR 18 HA THR 18 2.964 3.124 -4.042 123 HB THR 18 HB THR 18 1.406 3.082 -6.632 124 HG1 THR 18 1HG THR 18 3.384 1.529 -5.791 125 HG21 THR 18 3HG2 THR 18 3.867 4.646 -5.815 126 HG22 THR 18 1HG2 THR 18 2.257 5.315 -6.058 127 HG23 THR 18 2HG2 THR 18 3.145 4.640 -7.424 128 H ILE 19 HN ILE 19 2.339 4.757 -2.816 129 HA ILE 19 HA ILE 19 -0.494 5.524 -2.814 130 HB ILE 19 HB ILE 19 1.572 6.391 -0.802 131 HG12 ILE 19 2HG1 ILE 19 -0.233 3.973 -0.559 132 HG13 ILE 19 1HG1 ILE 19 1.470 3.879 -0.989 133 HG21 ILE 19 1HG2 ILE 19 -1.431 6.150 -0.665 134 HG22 ILE 19 2HG2 ILE 19 -0.509 7.646 -0.816 135 HG23 ILE 19 3HG2 ILE 19 -0.382 6.676 0.653 136 HD11 ILE 19 3HD1 ILE 19 0.362 4.956 1.592 137 HD12 ILE 19 1HD1 ILE 19 2.070 4.860 1.162 138 HD13 ILE 19 2HD1 ILE 19 1.125 3.384 1.359 139 H PHE 20 HN PHE 20 -1.128 7.585 -3.233 140 HA PHE 20 HA PHE 20 0.952 9.468 -4.125 141 HD1 PHE 20 2HD PHE 20 1.400 9.074 -6.898 142 HD2 PHE 20 1HD PHE 20 -2.254 7.138 -5.905 143 HE1 PHE 20 2HE PHE 20 1.950 7.249 -8.451 144 HE2 PHE 20 1HE PHE 20 -1.715 5.306 -7.457 145 HZ PHE 20 HZ PHE 20 0.389 5.362 -8.732 146 HB2 PHE 20 2HB PHE 20 -1.864 9.338 -5.191 147 HB3 PHE 20 1HB PHE 20 -0.526 10.276 -5.826 148 H ALA 21 HN ALA 21 0.913 11.438 -3.245 149 HA ALA 21 HA ALA 21 -1.429 12.696 -2.234 150 HB1 ALA 21 1HB ALA 21 -1.061 11.074 -0.411 151 HB2 ALA 21 2HB ALA 21 -0.906 12.747 0.122 152 HB3 ALA 21 3HB ALA 21 0.535 11.771 -0.145 153 H GLU 22 HN GLU 22 -0.978 14.818 -1.349 154 HA GLU 22 HA GLU 22 1.000 16.182 -2.807 155 HB2 GLU 22 2HB GLU 22 -0.809 16.978 -0.543 156 HB3 GLU 22 1HB GLU 22 0.345 18.107 -1.241 157 HG2 GLU 22 2HG GLU 22 -1.875 16.706 -2.708 158 HG3 GLU 22 1HG GLU 22 -1.846 18.399 -2.216 159 H THR 23 HN THR 23 0.822 15.391 0.663 160 HA THR 23 HA THR 23 3.447 16.649 0.967 161 HB THR 23 HB THR 23 2.881 16.573 3.433 162 HG1 THR 23 1HG THR 23 0.176 16.394 2.757 163 HG21 THR 23 3HG2 THR 23 1.051 18.151 1.624 164 HG22 THR 23 1HG2 THR 23 2.685 18.619 2.098 165 HG23 THR 23 2HG2 THR 23 1.407 18.522 3.311 166 H LYS 24 HN LYS 24 5.140 15.650 1.846 167 HA LYS 24 HA LYS 24 5.562 12.921 1.667 168 HB2 LYS 24 2HB LYS 24 7.312 14.650 1.833 169 HB3 LYS 24 1HB LYS 24 6.892 14.912 3.512 170 HG2 LYS 24 2HG LYS 24 7.691 12.765 4.139 171 HG3 LYS 24 1HG LYS 24 7.894 12.285 2.449 172 HD2 LYS 24 2HD LYS 24 9.651 13.884 2.144 173 HD3 LYS 24 1HD LYS 24 9.358 14.586 3.734 174 HE2 LYS 24 2HE LYS 24 10.213 11.730 3.310 175 HE3 LYS 24 1HE LYS 24 11.350 13.055 3.555 176 HZ1 LYS 24 3HZ LYS 24 9.257 12.136 5.462 177 HZ2 LYS 24 1HZ LYS 24 10.230 13.509 5.688 178 HZ3 LYS 24 2HZ LYS 24 10.939 11.971 5.633 179 H ASP 25 HN ASP 25 4.452 14.851 4.378 180 HA ASP 25 HA ASP 25 4.443 12.922 6.395 181 HB2 ASP 25 2HB ASP 25 3.970 15.264 6.861 182 HB3 ASP 25 1HB ASP 25 2.491 15.184 5.913 183 H ALA 26 HN ALA 26 1.908 13.701 4.020 184 HA ALA 26 HA ALA 26 0.049 11.786 4.928 185 HB1 ALA 26 1HB ALA 26 0.362 12.906 2.145 186 HB2 ALA 26 2HB ALA 26 -0.562 13.644 3.452 187 HB3 ALA 26 3HB ALA 26 -1.065 12.090 2.786 188 H LEU 27 HN LEU 27 2.656 11.617 2.548 189 HA LEU 27 HA LEU 27 2.249 9.017 1.617 190 HG LEU 27 HG LEU 27 3.494 9.310 -0.476 191 HB2 LEU 27 2HB LEU 27 4.616 10.805 1.892 192 HB3 LEU 27 1HB LEU 27 4.913 9.114 1.571 193 HD11 LEU 27 1HD1 LEU 27 2.968 11.511 -1.337 194 HD12 LEU 27 2HD1 LEU 27 3.622 12.258 0.123 195 HD13 LEU 27 3HD1 LEU 27 2.182 11.247 0.219 196 HD21 LEU 27 3HD2 LEU 27 5.912 9.419 -0.629 197 HD22 LEU 27 1HD2 LEU 27 5.874 11.151 -0.299 198 HD23 LEU 27 2HD2 LEU 27 5.172 10.523 -1.789 199 H GLU 28 HN GLU 28 4.311 10.124 4.293 200 HA GLU 28 HA GLU 28 5.104 7.596 5.164 201 HB2 GLU 28 2HB GLU 28 4.965 10.295 6.468 202 HB3 GLU 28 1HB GLU 28 5.543 8.891 7.344 203 HG2 GLU 28 2HG GLU 28 7.278 8.559 5.650 204 HG3 GLU 28 1HG GLU 28 6.693 9.980 4.790 205 H SER 29 HN SER 29 2.324 9.577 6.091 206 HA SER 29 HA SER 29 1.587 8.030 8.336 207 HG SER 29 HG SER 29 1.561 11.032 7.492 208 HB2 SER 29 2HB SER 29 -0.091 9.859 6.609 209 HB3 SER 29 1HB SER 29 -0.536 9.267 8.209 210 H GLU 30 HN GLU 30 0.428 8.010 4.965 211 HA GLU 30 HA GLU 30 -1.488 5.945 5.431 212 HB2 GLU 30 2HB GLU 30 -0.865 7.684 3.330 213 HB3 GLU 30 1HB GLU 30 -0.543 6.080 2.689 214 HG2 GLU 30 2HG GLU 30 -2.782 6.614 2.152 215 HG3 GLU 30 1HG GLU 30 -2.829 5.411 3.439 216 H LEU 31 HN LEU 31 1.855 6.040 4.346 217 HA LEU 31 HA LEU 31 2.170 3.402 3.485 218 HG LEU 31 HG LEU 31 4.836 2.651 4.378 219 HB2 LEU 31 2HB LEU 31 3.840 5.280 3.297 220 HB3 LEU 31 1HB LEU 31 4.228 5.018 4.981 221 HD11 LEU 31 1HD1 LEU 31 4.670 3.738 1.577 222 HD12 LEU 31 2HD1 LEU 31 3.634 2.495 2.277 223 HD13 LEU 31 3HD1 LEU 31 5.353 2.181 2.041 224 HD21 LEU 31 3HD2 LEU 31 6.404 4.900 3.123 225 HD22 LEU 31 1HD2 LEU 31 7.027 3.282 3.445 226 HD23 LEU 31 2HD2 LEU 31 6.538 4.321 4.783 227 H ALA 32 HN ALA 32 2.625 4.839 6.668 228 HA ALA 32 HA ALA 32 3.474 2.616 8.087 229 HB1 ALA 32 1HB ALA 32 1.709 4.850 9.071 230 HB2 ALA 32 2HB ALA 32 3.472 4.857 9.025 231 HB3 ALA 32 3HB ALA 32 2.622 3.734 10.086 232 H LYS 33 HN LYS 33 0.196 3.558 7.206 233 HA LYS 33 HA LYS 33 -1.134 1.633 8.803 234 HB2 LYS 33 2HB LYS 33 -1.928 3.251 6.386 235 HB3 LYS 33 1HB LYS 33 -3.034 2.145 7.173 236 HG2 LYS 33 2HG LYS 33 -2.814 3.396 9.260 237 HG3 LYS 33 1HG LYS 33 -1.690 4.501 8.468 238 HD2 LYS 33 2HD LYS 33 -3.432 5.202 6.931 239 HD3 LYS 33 1HD LYS 33 -4.561 4.056 7.658 240 HE2 LYS 33 2HE LYS 33 -4.940 6.318 8.492 241 HE3 LYS 33 1HE LYS 33 -4.406 5.247 9.786 242 HZ1 LYS 33 3HZ LYS 33 -2.695 7.183 8.317 243 HZ2 LYS 33 1HZ LYS 33 -2.172 6.152 9.562 244 HZ3 LYS 33 2HZ LYS 33 -3.292 7.382 9.892 245 H TYR 34 HN TYR 34 0.165 1.608 5.540 246 HA TYR 34 HA TYR 34 -0.948 -0.946 4.866 247 HD1 TYR 34 1HD TYR 34 -0.642 2.532 3.362 248 HD2 TYR 34 2HD TYR 34 -1.138 -1.398 1.820 249 HE1 TYR 34 1HE TYR 34 -2.532 3.313 1.997 250 HE2 TYR 34 2HE TYR 34 -3.025 -0.631 0.450 251 HH TYR 34 HH TYR 34 -3.728 2.657 -0.039 252 HB2 TYR 34 2HB TYR 34 1.116 0.834 3.605 253 HB3 TYR 34 1HB TYR 34 0.863 -0.804 3.014 254 H ILE 35 HN ILE 35 2.151 0.208 6.097 255 HA ILE 35 HA ILE 35 3.461 -2.298 6.131 256 HB ILE 35 HB ILE 35 3.857 0.074 7.971 257 HG12 ILE 35 2HG1 ILE 35 5.358 -0.754 5.476 258 HG13 ILE 35 1HG1 ILE 35 4.176 0.549 5.553 259 HG21 ILE 35 1HG2 ILE 35 5.662 -2.287 7.439 260 HG22 ILE 35 2HG2 ILE 35 4.781 -1.972 8.933 261 HG23 ILE 35 3HG2 ILE 35 6.068 -0.882 8.422 262 HD11 ILE 35 3HD1 ILE 35 6.804 0.434 7.014 263 HD12 ILE 35 1HD1 ILE 35 5.612 1.727 7.156 264 HD13 ILE 35 2HD1 ILE 35 6.418 1.435 5.614 265 H GLU 36 HN GLU 36 1.371 -0.634 8.431 266 HA GLU 36 HA GLU 36 1.479 -2.505 10.502 267 HB2 GLU 36 2HB GLU 36 -0.419 -0.366 9.651 268 HB3 GLU 36 1HB GLU 36 -0.920 -1.481 10.899 269 HG2 GLU 36 2HG GLU 36 1.481 0.324 10.959 270 HG3 GLU 36 1HG GLU 36 -0.001 0.507 11.894 271 H LEU 37 HN LEU 37 -0.737 -2.192 7.761 272 HA LEU 37 HA LEU 37 -2.344 -4.414 8.269 273 HG LEU 37 HG LEU 37 -4.308 -3.824 6.777 274 HB2 LEU 37 2HB LEU 37 -2.298 -2.497 6.381 275 HB3 LEU 37 1HB LEU 37 -1.598 -3.807 5.456 276 HD11 LEU 37 1HD1 LEU 37 -4.209 -2.387 4.823 277 HD12 LEU 37 2HD1 LEU 37 -5.161 -3.835 4.490 278 HD13 LEU 37 3HD1 LEU 37 -3.513 -3.703 3.877 279 HD21 LEU 37 3HD2 LEU 37 -4.665 -5.952 5.649 280 HD22 LEU 37 1HD2 LEU 37 -3.303 -6.059 6.763 281 HD23 LEU 37 2HD2 LEU 37 -3.013 -5.913 5.029 282 H ALA 38 HN ALA 38 0.779 -4.105 6.670 283 HA ALA 38 HA ALA 38 0.848 -6.696 5.541 284 HB1 ALA 38 1HB ALA 38 2.242 -4.879 4.705 285 HB2 ALA 38 2HB ALA 38 3.224 -6.269 5.167 286 HB3 ALA 38 3HB ALA 38 3.142 -4.860 6.224 287 H LYS 39 HN LYS 39 2.409 -5.366 8.460 288 HA LYS 39 HA LYS 39 3.597 -7.788 9.267 289 HB2 LYS 39 2HB LYS 39 2.800 -5.373 10.894 290 HB3 LYS 39 1HB LYS 39 3.812 -6.679 11.483 291 HG2 LYS 39 2HG LYS 39 5.510 -6.151 9.839 292 HG3 LYS 39 1HG LYS 39 4.481 -4.885 9.163 293 HD2 LYS 39 2HD LYS 39 5.581 -4.960 11.973 294 HD3 LYS 39 1HD LYS 39 6.172 -3.943 10.658 295 HE2 LYS 39 2HE LYS 39 4.046 -2.791 10.551 296 HE3 LYS 39 1HE LYS 39 3.374 -3.859 11.779 297 HZ1 LYS 39 3HZ LYS 39 5.601 -1.934 12.171 298 HZ2 LYS 39 1HZ LYS 39 4.996 -2.990 13.356 299 HZ3 LYS 39 2HZ LYS 39 4.007 -1.755 12.733 300 H SER 40 HN SER 40 0.410 -6.447 9.767 301 HA SER 40 HA SER 40 -0.376 -8.143 11.892 302 HG SER 40 HG SER 40 -2.674 -8.271 12.045 303 HB2 SER 40 2HB SER 40 -1.573 -6.061 11.317 304 HB3 SER 40 1HB SER 40 -2.088 -6.783 9.794 305 H VAL 41 HN VAL 41 -0.408 -8.462 8.397 306 HA VAL 41 HA VAL 41 -1.836 -10.977 8.472 307 HB VAL 41 HB VAL 41 -0.450 -9.574 6.174 308 HG11 VAL 41 1HG1 VAL 41 -0.572 -11.966 5.766 309 HG12 VAL 41 2HG1 VAL 41 -1.704 -11.105 4.721 310 HG13 VAL 41 3HG1 VAL 41 -2.296 -11.962 6.146 311 HG21 VAL 41 3HG2 VAL 41 -2.739 -9.022 5.450 312 HG22 VAL 41 1HG2 VAL 41 -2.333 -8.304 7.009 313 HG23 VAL 41 2HG2 VAL 41 -3.362 -9.734 6.939 314 H CYS 42 HN CYS 42 1.471 -9.877 7.771 315 HA CYS 42 HA CYS 42 2.411 -12.616 8.221 316 HG CYS 42 HG CYS 42 3.910 -14.001 5.333 317 HB2 CYS 42 2HB CYS 42 2.148 -12.220 5.771 318 HB3 CYS 42 1HB CYS 42 3.277 -10.877 5.897 319 H ALA 43 HN ALA 43 4.052 -12.635 9.605 320 HA ALA 43 HA ALA 43 5.310 -10.134 10.376 321 HB1 ALA 43 1HB ALA 43 6.315 -11.416 12.186 322 HB2 ALA 43 2HB ALA 43 5.699 -12.913 11.486 323 HB3 ALA 43 3HB ALA 43 4.576 -11.703 12.107 324 H GLY 44 HN GLY 44 5.969 -12.852 8.389 325 HA2 GLY 44 2HA GLY 44 8.842 -12.266 8.308 326 HA3 GLY 44 1HA GLY 44 8.045 -13.644 7.560 327 H VAL 45 HN VAL 45 6.781 -10.428 7.242 328 HA VAL 45 HA VAL 45 6.833 -10.605 4.401 329 HB VAL 45 HB VAL 45 4.986 -9.471 5.501 330 HG11 VAL 45 1HG1 VAL 45 7.000 -7.407 6.379 331 HG12 VAL 45 2HG1 VAL 45 6.184 -8.568 7.428 332 HG13 VAL 45 3HG1 VAL 45 5.254 -7.314 6.605 333 HG21 VAL 45 3HG2 VAL 45 5.548 -8.789 3.225 334 HG22 VAL 45 1HG2 VAL 45 6.632 -7.550 3.859 335 HG23 VAL 45 2HG2 VAL 45 4.897 -7.435 4.150 336 H GLU 46 HN GLU 46 8.328 -9.985 3.037 337 HA GLU 46 HA GLU 46 10.588 -8.368 4.000 338 HB2 GLU 46 2HB GLU 46 10.317 -9.864 1.386 339 HB3 GLU 46 1HB GLU 46 11.786 -9.193 2.078 340 HG2 GLU 46 2HG GLU 46 11.842 -10.825 3.783 341 HG3 GLU 46 1HG GLU 46 10.211 -11.372 3.401 342 H TYR 47 HN TYR 47 10.492 -6.235 3.515 343 HA TYR 47 HA TYR 47 9.094 -5.506 1.052 344 HD1 TYR 47 1HD TYR 47 9.672 -2.257 3.620 345 HD2 TYR 47 2HD TYR 47 7.658 -5.726 5.035 346 HE1 TYR 47 1HE TYR 47 10.126 -1.570 5.936 347 HE2 TYR 47 2HE TYR 47 8.110 -5.051 7.355 348 HH TYR 47 HH TYR 47 9.365 -1.911 8.142 349 HB2 TYR 47 2HB TYR 47 8.068 -3.557 2.192 350 HB3 TYR 47 1HB TYR 47 7.473 -5.108 2.758 351 H ASN 48 HN ASN 48 9.683 -3.678 0.028 352 HA ASN 48 HA ASN 48 12.108 -2.307 1.002 353 HB2 ASN 48 2HB ASN 48 11.275 -2.600 -1.892 354 HB3 ASN 48 1HB ASN 48 12.744 -1.857 -1.296 355 HD21 ASN 48 1HD2 ASN 48 13.266 -3.920 0.681 356 HD22 ASN 48 2HD2 ASN 48 13.812 -5.305 -0.204 357 H VAL 49 HN VAL 49 12.224 -0.038 0.197 358 HA VAL 49 HA VAL 49 9.613 1.212 -0.252 359 HB VAL 49 HB VAL 49 11.455 2.092 1.994 360 HG11 VAL 49 1HG1 VAL 49 8.739 3.102 1.154 361 HG12 VAL 49 2HG1 VAL 49 10.275 3.949 0.965 362 HG13 VAL 49 3HG1 VAL 49 9.634 3.633 2.577 363 HG21 VAL 49 3HG2 VAL 49 10.335 0.038 2.631 364 HG22 VAL 49 1HG2 VAL 49 8.778 0.711 2.144 365 HG23 VAL 49 2HG2 VAL 49 9.645 1.400 3.516 366 H SER 50 HN SER 50 9.759 2.967 -1.571 367 HA SER 50 HA SER 50 12.248 3.614 -2.786 368 HG SER 50 HG SER 50 9.235 5.376 -2.050 369 HB2 SER 50 2HB SER 50 10.841 5.550 -3.752 370 HB3 SER 50 1HB SER 50 10.395 3.904 -4.181 371 H GLU 51 HN GLU 51 12.688 6.120 -3.036 372 HA GLU 51 HA GLU 51 13.436 6.959 -0.378 373 HB2 GLU 51 2HB GLU 51 14.061 8.024 -3.117 374 HB3 GLU 51 1HB GLU 51 14.537 8.876 -1.652 375 HG2 GLU 51 2HG GLU 51 15.371 6.122 -2.518 376 HG3 GLU 51 1HG GLU 51 16.379 7.563 -2.388 377 H LEU 52 HN LEU 52 12.483 8.403 0.833 378 HA LEU 52 HA LEU 52 10.208 9.889 -0.227 379 HG LEU 52 HG LEU 52 10.306 7.477 1.731 380 HB2 LEU 52 2HB LEU 52 11.260 9.606 2.588 381 HB3 LEU 52 1HB LEU 52 9.779 10.421 2.135 382 HD11 LEU 52 1HD1 LEU 52 8.762 7.133 3.577 383 HD12 LEU 52 2HD1 LEU 52 8.611 8.875 3.799 384 HD13 LEU 52 3HD1 LEU 52 10.154 8.077 4.103 385 HD21 LEU 52 3HD2 LEU 52 7.901 7.388 1.261 386 HD22 LEU 52 1HD2 LEU 52 8.760 8.405 0.105 387 HD23 LEU 52 2HD2 LEU 52 7.816 9.143 1.397 388 H THR 53 HN THR 53 10.585 11.839 -1.027 389 HA THR 53 HA THR 53 12.640 13.527 0.241 390 HB THR 53 HB THR 53 13.309 14.364 -1.970 391 HG1 THR 53 1HG THR 53 12.031 12.244 -3.294 392 HG21 THR 53 3HG2 THR 53 14.598 12.530 -1.029 393 HG22 THR 53 1HG2 THR 53 14.493 12.361 -2.781 394 HG23 THR 53 2HG2 THR 53 13.486 11.359 -1.736 395 H GLU 54 HN GLU 54 12.389 15.846 -0.867 396 HA GLU 54 HA GLU 54 9.758 16.793 -0.344 397 HB2 GLU 54 2HB GLU 54 12.253 18.031 -1.486 398 HB3 GLU 54 1HB GLU 54 10.744 18.918 -1.427 399 HG2 GLU 54 2HG GLU 54 12.130 19.502 0.452 400 HG3 GLU 54 1HG GLU 54 10.689 18.655 1.007 401 H GLU 55 HN GLU 55 11.330 15.452 -3.037 402 HA GLU 55 HA GLU 55 9.677 16.769 -5.024 403 HB2 GLU 55 2HB GLU 55 11.754 14.601 -5.362 404 HB3 GLU 55 1HB GLU 55 11.034 15.564 -6.645 405 HG2 GLU 55 2HG GLU 55 12.067 17.567 -5.763 406 HG3 GLU 55 1HG GLU 55 12.728 16.653 -4.408 407 H SER 56 HN SER 56 9.761 13.794 -3.255 408 HA SER 56 HA SER 56 8.194 12.311 -5.144 409 HG SER 56 HG SER 56 8.476 12.441 -1.672 410 HB2 SER 56 2HB SER 56 8.095 10.626 -3.276 411 HB3 SER 56 1HB SER 56 9.719 11.062 -3.793 412 H LYS 57 HN LYS 57 6.139 12.716 -5.469 413 HA LYS 57 HA LYS 57 4.413 13.120 -3.115 414 HB2 LYS 57 2HB LYS 57 4.052 13.796 -6.029 415 HB3 LYS 57 1HB LYS 57 2.662 13.631 -4.965 416 HG2 LYS 57 2HG LYS 57 3.247 15.951 -5.139 417 HG3 LYS 57 1HG LYS 57 3.613 15.389 -3.509 418 HD2 LYS 57 2HD LYS 57 5.985 15.111 -4.197 419 HD3 LYS 57 1HD LYS 57 5.576 15.818 -5.759 420 HE2 LYS 57 2HE LYS 57 6.552 17.485 -4.281 421 HE3 LYS 57 1HE LYS 57 4.871 17.876 -4.644 422 HZ1 LYS 57 3HZ LYS 57 5.371 18.201 -2.306 423 HZ2 LYS 57 1HZ LYS 57 5.850 16.585 -2.155 424 HZ3 LYS 57 2HZ LYS 57 4.235 16.959 -2.497 425 H GLU 58 HN GLU 58 5.743 10.823 -4.823 426 HA GLU 58 HA GLU 58 3.500 8.942 -4.528 427 HB2 GLU 58 2HB GLU 58 5.538 8.742 -6.746 428 HB3 GLU 58 1HB GLU 58 4.026 7.864 -6.584 429 HG2 GLU 58 2HG GLU 58 2.756 9.678 -7.278 430 HG3 GLU 58 1HG GLU 58 4.051 10.832 -6.946 431 H LEU 59 HN LEU 59 4.128 7.135 -3.391 432 HA LEU 59 HA LEU 59 6.986 6.481 -3.437 433 HG LEU 59 HG LEU 59 4.979 5.016 -0.673 434 HB2 LEU 59 2HB LEU 59 7.165 6.109 -1.140 435 HB3 LEU 59 1HB LEU 59 6.342 7.642 -1.285 436 HD11 LEU 59 1HD1 LEU 59 5.746 7.292 1.145 437 HD12 LEU 59 2HD1 LEU 59 6.454 5.677 1.137 438 HD13 LEU 59 3HD1 LEU 59 4.766 5.898 1.600 439 HD21 LEU 59 3HD2 LEU 59 3.505 6.627 -1.760 440 HD22 LEU 59 1HD2 LEU 59 3.965 7.854 -0.581 441 HD23 LEU 59 2HD2 LEU 59 3.074 6.424 -0.061 442 H THR 60 HN THR 60 7.493 4.328 -3.319 443 HA THR 60 HA THR 60 5.193 2.550 -3.785 444 HB THR 60 HB THR 60 7.986 2.224 -4.894 445 HG1 THR 60 1HG THR 60 6.170 3.948 -5.644 446 HG21 THR 60 3HG2 THR 60 6.765 0.124 -4.664 447 HG22 THR 60 1HG2 THR 60 6.902 0.566 -6.366 448 HG23 THR 60 2HG2 THR 60 5.380 0.817 -5.508 449 H ALA 61 HN ALA 61 4.936 0.936 -2.429 450 HA ALA 61 HA ALA 61 7.219 0.091 -0.773 451 HB1 ALA 61 1HB ALA 61 4.272 -0.140 -0.165 452 HB2 ALA 61 2HB ALA 61 5.374 1.051 0.525 453 HB3 ALA 61 3HB ALA 61 5.595 -0.662 0.880 454 H ARG 62 HN ARG 62 8.052 -1.722 -1.481 455 HA ARG 62 HA ARG 62 6.427 -3.561 -3.063 456 HE ARG 62 HE ARG 62 7.192 -3.682 -5.406 457 HB2 ARG 62 2HB ARG 62 8.544 -2.927 -4.030 458 HB3 ARG 62 1HB ARG 62 9.399 -3.333 -2.552 459 HG2 ARG 62 2HG ARG 62 9.713 -4.973 -4.367 460 HG3 ARG 62 1HG ARG 62 9.025 -5.671 -2.901 461 HD2 ARG 62 2HD ARG 62 7.953 -6.490 -4.970 462 HD3 ARG 62 1HD ARG 62 6.840 -5.686 -3.873 463 HH11 ARG 62 1HH1 ARG 62 7.422 -6.991 -6.503 464 HH12 ARG 62 2HH1 ARG 62 6.791 -6.649 -8.081 465 HH21 ARG 62 1HH2 ARG 62 6.335 -3.221 -7.469 466 HH22 ARG 62 2HH2 ARG 62 6.153 -4.506 -8.630 467 H PHE 63 HN PHE 63 5.432 -5.180 -2.030 468 HA PHE 63 HA PHE 63 6.574 -6.088 0.532 469 HD1 PHE 63 2HD PHE 63 5.443 -5.414 2.807 470 HD2 PHE 63 1HD PHE 63 3.070 -3.816 -0.339 471 HE1 PHE 63 2HE PHE 63 5.162 -3.332 4.086 472 HE2 PHE 63 1HE PHE 63 2.782 -1.729 0.933 473 HZ PHE 63 HZ PHE 63 3.831 -1.486 3.151 474 HB2 PHE 63 2HB PHE 63 3.705 -6.032 -0.414 475 HB3 PHE 63 1HB PHE 63 4.231 -6.853 1.048 476 H LYS 64 HN LYS 64 7.462 -8.031 0.472 477 HA LYS 64 HA LYS 64 6.239 -10.061 -1.277 478 HB2 LYS 64 2HB LYS 64 8.575 -9.658 -1.835 479 HB3 LYS 64 1HB LYS 64 9.041 -9.899 -0.156 480 HG2 LYS 64 2HG LYS 64 8.185 -12.229 -0.325 481 HG3 LYS 64 1HG LYS 64 7.941 -11.958 -2.051 482 HD2 LYS 64 2HD LYS 64 10.308 -11.548 -2.355 483 HD3 LYS 64 1HD LYS 64 10.579 -11.687 -0.614 484 HE2 LYS 64 2HE LYS 64 9.630 -13.856 -2.478 485 HE3 LYS 64 1HE LYS 64 11.203 -13.752 -1.690 486 HZ1 LYS 64 3HZ LYS 64 8.587 -14.100 -0.328 487 HZ2 LYS 64 1HZ LYS 64 10.082 -13.941 0.459 488 HZ3 LYS 64 2HZ LYS 64 9.774 -15.287 -0.529 489 H PHE 65 HN PHE 65 5.162 -11.626 -0.286 490 HA PHE 65 HA PHE 65 5.375 -11.833 2.620 491 HD1 PHE 65 2HD PHE 65 2.945 -11.068 3.828 492 HD2 PHE 65 1HD PHE 65 2.647 -11.009 -0.417 493 HE1 PHE 65 2HE PHE 65 1.772 -8.906 3.943 494 HE2 PHE 65 1HE PHE 65 1.479 -8.849 -0.312 495 HZ PHE 65 HZ PHE 65 1.037 -7.798 1.872 496 HB2 PHE 65 2HB PHE 65 3.339 -12.982 0.701 497 HB3 PHE 65 1HB PHE 65 3.271 -13.108 2.458 498 H GLU 66 HN GLU 66 4.580 -14.393 3.115 499 HA GLU 66 HA GLU 66 7.009 -15.812 2.376 500 HB2 GLU 66 2HB GLU 66 4.854 -16.505 4.377 501 HB3 GLU 66 1HB GLU 66 6.376 -17.346 4.174 502 HG2 GLU 66 2HG GLU 66 7.533 -15.188 4.727 503 HG3 GLU 66 1HG GLU 66 5.951 -14.547 5.162 504 H VAL 67 HN VAL 67 3.495 -16.204 2.240 505 HA VAL 67 HA VAL 67 3.925 -18.203 0.116 506 HB VAL 67 HB VAL 67 1.832 -19.322 0.742 507 HG11 VAL 67 1HG1 VAL 67 3.819 -19.100 3.001 508 HG12 VAL 67 2HG1 VAL 67 3.913 -20.196 1.621 509 HG13 VAL 67 3HG1 VAL 67 2.626 -20.385 2.812 510 HG21 VAL 67 3HG2 VAL 67 1.829 -17.449 3.107 511 HG22 VAL 67 1HG2 VAL 67 0.758 -18.835 2.897 512 HG23 VAL 67 2HG2 VAL 67 0.660 -17.470 1.785 513 H SER 68 HN SER 68 2.205 -18.287 -1.496 514 HA SER 68 HA SER 68 1.757 -15.728 -2.529 515 HG SER 68 HG SER 68 0.776 -19.327 -4.059 516 HB2 SER 68 2HB SER 68 0.237 -17.051 -4.158 517 HB3 SER 68 1HB SER 68 1.962 -17.415 -4.124 518 H ALA 69 HN ALA 69 -0.223 -17.762 -0.573 519 HA ALA 69 HA ALA 69 -2.744 -16.657 -1.066 520 HB1 ALA 69 1HB ALA 69 -1.720 -17.824 1.520 521 HB2 ALA 69 2HB ALA 69 -2.386 -18.747 0.173 522 HB3 ALA 69 3HB ALA 69 -3.410 -17.621 1.063 523 H GLU 70 HN GLU 70 -0.093 -15.555 0.948 524 HA GLU 70 HA GLU 70 -1.599 -13.759 2.537 525 HB2 GLU 70 2HB GLU 70 1.352 -13.824 1.907 526 HB3 GLU 70 1HB GLU 70 0.617 -12.829 3.152 527 HG2 GLU 70 2HG GLU 70 -0.200 -14.877 4.258 528 HG3 GLU 70 1HG GLU 70 0.647 -15.829 3.043 529 H LYS 71 HN LYS 71 -0.080 -13.491 -0.602 530 HA LYS 71 HA LYS 71 -0.129 -10.687 -0.886 531 HB2 LYS 71 2HB LYS 71 0.922 -12.376 -2.475 532 HB3 LYS 71 1HB LYS 71 -0.686 -12.673 -3.095 533 HG2 LYS 71 2HG LYS 71 -0.205 -9.855 -3.073 534 HG3 LYS 71 1HG LYS 71 1.124 -10.672 -3.896 535 HD2 LYS 71 2HD LYS 71 -1.727 -11.354 -4.528 536 HD3 LYS 71 1HD LYS 71 -0.952 -9.952 -5.266 537 HE2 LYS 71 2HE LYS 71 0.257 -12.703 -5.357 538 HE3 LYS 71 1HE LYS 71 -0.888 -12.134 -6.571 539 HZ1 LYS 71 3HZ LYS 71 1.427 -11.809 -7.253 540 HZ2 LYS 71 1HZ LYS 71 1.696 -10.812 -5.911 541 HZ3 LYS 71 2HZ LYS 71 0.611 -10.331 -7.116 542 H LEU 72 HN LEU 72 -2.404 -13.154 -1.915 543 HA LEU 72 HA LEU 72 -4.461 -11.542 -2.840 544 HG LEU 72 HG LEU 72 -3.232 -14.321 -3.481 545 HB2 LEU 72 2HB LEU 72 -4.682 -14.225 -1.475 546 HB3 LEU 72 1HB LEU 72 -5.937 -13.475 -2.441 547 HD11 LEU 72 1HD1 LEU 72 -4.448 -16.104 -4.614 548 HD12 LEU 72 2HD1 LEU 72 -5.942 -15.593 -3.829 549 HD13 LEU 72 3HD1 LEU 72 -4.612 -16.235 -2.863 550 HD21 LEU 72 3HD2 LEU 72 -4.218 -13.898 -5.686 551 HD22 LEU 72 1HD2 LEU 72 -4.150 -12.431 -4.708 552 HD23 LEU 72 2HD2 LEU 72 -5.679 -13.288 -4.909 553 H ILE 73 HN ILE 73 -3.952 -12.799 0.449 554 HA ILE 73 HA ILE 73 -6.301 -11.796 1.603 555 HB ILE 73 HB ILE 73 -3.606 -12.253 2.899 556 HG12 ILE 73 2HG1 ILE 73 -6.063 -14.016 2.788 557 HG13 ILE 73 1HG1 ILE 73 -4.609 -14.251 1.822 558 HG21 ILE 73 1HG2 ILE 73 -4.984 -10.780 4.262 559 HG22 ILE 73 2HG2 ILE 73 -4.828 -12.367 5.015 560 HG23 ILE 73 3HG2 ILE 73 -6.318 -11.931 4.177 561 HD11 ILE 73 3HD1 ILE 73 -4.761 -14.377 4.829 562 HD12 ILE 73 1HD1 ILE 73 -3.318 -14.641 3.849 563 HD13 ILE 73 2HD1 ILE 73 -4.679 -15.758 3.734 564 H PHE 74 HN PHE 74 -3.096 -10.321 1.271 565 HA PHE 74 HA PHE 74 -3.708 -7.940 2.682 566 HD1 PHE 74 1HD PHE 74 -1.408 -6.783 3.826 567 HD2 PHE 74 2HD PHE 74 -1.352 -6.260 -0.398 568 HE1 PHE 74 1HE PHE 74 -0.610 -4.474 4.125 569 HE2 PHE 74 2HE PHE 74 -0.559 -3.953 -0.105 570 HZ PHE 74 HZ PHE 74 -0.184 -3.054 2.158 571 HB2 PHE 74 2HB PHE 74 -1.399 -8.708 2.241 572 HB3 PHE 74 1HB PHE 74 -1.636 -8.414 0.523 573 H GLU 75 HN GLU 75 -3.617 -8.687 -0.797 574 HA GLU 75 HA GLU 75 -4.416 -6.173 -1.718 575 HB2 GLU 75 2HB GLU 75 -4.594 -8.939 -2.869 576 HB3 GLU 75 1HB GLU 75 -5.292 -7.570 -3.722 577 HG2 GLU 75 2HG GLU 75 -2.423 -7.681 -2.832 578 HG3 GLU 75 1HG GLU 75 -2.972 -8.196 -4.427 579 H LEU 76 HN LEU 76 -6.374 -8.972 -0.745 580 HA LEU 76 HA LEU 76 -8.874 -8.038 -1.505 581 HG LEU 76 HG LEU 76 -8.317 -10.752 -1.785 582 HB2 LEU 76 2HB LEU 76 -7.800 -9.960 0.478 583 HB3 LEU 76 1HB LEU 76 -9.453 -9.455 0.687 584 HD11 LEU 76 1HD1 LEU 76 -10.152 -11.844 0.344 585 HD12 LEU 76 2HD1 LEU 76 -8.464 -12.290 0.102 586 HD13 LEU 76 3HD1 LEU 76 -9.666 -12.679 -1.130 587 HD21 LEU 76 3HD2 LEU 76 -10.644 -10.895 -2.524 588 HD22 LEU 76 1HD2 LEU 76 -10.133 -9.219 -2.314 589 HD23 LEU 76 2HD2 LEU 76 -11.154 -9.990 -1.099 590 H LYS 77 HN LYS 77 -7.138 -7.616 1.556 591 HA LYS 77 HA LYS 77 -9.146 -6.023 2.767 592 HB2 LYS 77 2HB LYS 77 -6.241 -6.515 3.368 593 HB3 LYS 77 1HB LYS 77 -7.196 -5.386 4.319 594 HG2 LYS 77 2HG LYS 77 -8.706 -7.112 4.973 595 HG3 LYS 77 1HG LYS 77 -7.952 -8.257 3.867 596 HD2 LYS 77 2HD LYS 77 -5.895 -8.176 5.169 597 HD3 LYS 77 1HD LYS 77 -6.620 -6.994 6.263 598 HE2 LYS 77 2HE LYS 77 -6.652 -9.330 7.123 599 HE3 LYS 77 1HE LYS 77 -8.244 -8.582 7.009 600 HZ1 LYS 77 3HZ LYS 77 -8.664 -9.785 4.982 601 HZ2 LYS 77 1HZ LYS 77 -8.204 -10.887 6.188 602 HZ3 LYS 77 2HZ LYS 77 -7.102 -10.433 4.986 603 H THR 78 HN THR 78 -6.294 -5.294 0.856 604 HA THR 78 HA THR 78 -6.288 -2.511 1.226 605 HB THR 78 HB THR 78 -5.340 -4.043 -1.196 606 HG1 THR 78 1HG THR 78 -4.219 -4.853 0.525 607 HG21 THR 78 3HG2 THR 78 -3.792 -2.141 -1.466 608 HG22 THR 78 1HG2 THR 78 -4.585 -1.331 -0.115 609 HG23 THR 78 2HG2 THR 78 -5.480 -1.645 -1.601 610 H ARG 79 HN ARG 79 -8.114 -4.575 -0.982 611 HA ARG 79 HA ARG 79 -9.125 -2.655 -2.709 612 HE ARG 79 HE ARG 79 -7.981 -2.758 -3.990 613 HB2 ARG 79 2HB ARG 79 -10.435 -5.150 -1.627 614 HB3 ARG 79 1HB ARG 79 -11.028 -4.222 -2.980 615 HG2 ARG 79 2HG ARG 79 -8.407 -5.681 -2.863 616 HG3 ARG 79 1HG ARG 79 -9.854 -6.212 -3.714 617 HD2 ARG 79 2HD ARG 79 -8.510 -5.276 -5.382 618 HD3 ARG 79 1HD ARG 79 -9.680 -4.012 -5.006 619 HH11 ARG 79 1HH1 ARG 79 -6.802 -5.794 -5.275 620 HH12 ARG 79 2HH1 ARG 79 -5.122 -5.352 -5.120 621 HH21 ARG 79 1HH2 ARG 79 -5.787 -2.158 -3.831 622 HH22 ARG 79 2HH2 ARG 79 -4.550 -3.280 -4.320 623 H SER 80 HN SER 80 -10.284 -3.701 0.468 624 HA SER 80 HA SER 80 -12.562 -1.970 0.374 625 HG SER 80 HG SER 80 -12.163 -5.232 1.420 626 HB2 SER 80 2HB SER 80 -11.456 -3.659 2.620 627 HB3 SER 80 1HB SER 80 -13.051 -2.925 2.562 628 H LEU 81 HN LEU 81 -9.415 -2.016 1.964 629 HA LEU 81 HA LEU 81 -9.952 0.091 3.761 630 HG LEU 81 HG LEU 81 -6.904 1.072 3.120 631 HB2 LEU 81 2HB LEU 81 -8.206 -1.308 4.380 632 HB3 LEU 81 1HB LEU 81 -7.509 -1.319 2.770 633 HD11 LEU 81 1HD1 LEU 81 -8.440 1.602 4.925 634 HD12 LEU 81 2HD1 LEU 81 -6.778 1.890 5.436 635 HD13 LEU 81 3HD1 LEU 81 -7.627 0.444 5.980 636 HD21 LEU 81 3HD2 LEU 81 -4.929 0.562 4.472 637 HD22 LEU 81 1HD2 LEU 81 -5.266 -0.717 3.307 638 HD23 LEU 81 2HD2 LEU 81 -5.686 -0.940 5.004 639 H ALA 82 HN ALA 82 -8.523 -0.080 0.544 640 HA ALA 82 HA ALA 82 -8.026 2.797 0.529 641 HB1 ALA 82 1HB ALA 82 -6.316 1.318 -0.396 642 HB2 ALA 82 2HB ALA 82 -6.967 2.387 -1.639 643 HB3 ALA 82 3HB ALA 82 -7.475 0.700 -1.572 644 H ARG 83 HN ARG 83 -10.696 2.087 0.771 645 HA ARG 83 HA ARG 83 -12.037 2.033 -1.737 646 HE ARG 83 HE ARG 83 -14.768 0.787 1.979 647 HB2 ARG 83 2HB ARG 83 -12.959 1.187 0.450 648 HB3 ARG 83 1HB ARG 83 -13.160 2.863 0.942 649 HG2 ARG 83 2HG ARG 83 -14.668 3.213 -0.978 650 HG3 ARG 83 1HG ARG 83 -14.506 1.503 -1.383 651 HD2 ARG 83 2HD ARG 83 -15.739 2.714 1.082 652 HD3 ARG 83 1HD ARG 83 -16.526 1.737 -0.156 653 HH11 ARG 83 1HH1 ARG 83 -16.764 0.053 -0.817 654 HH12 ARG 83 2HH1 ARG 83 -16.827 -1.648 -0.478 655 HH21 ARG 83 1HH2 ARG 83 -14.880 -1.438 2.436 656 HH22 ARG 83 2HH2 ARG 83 -15.750 -2.503 1.361 657 H LEU 84 HN LEU 84 -11.640 4.552 0.725 658 HA LEU 84 HA LEU 84 -11.904 6.786 0.739 659 HG LEU 84 HG LEU 84 -9.437 5.486 -0.778 660 HB2 LEU 84 2HB LEU 84 -11.180 6.569 -2.178 661 HB3 LEU 84 1HB LEU 84 -11.070 7.982 -1.164 662 HD11 LEU 84 1HD1 LEU 84 -7.565 6.818 -1.617 663 HD12 LEU 84 2HD1 LEU 84 -8.667 8.148 -1.965 664 HD13 LEU 84 3HD1 LEU 84 -8.823 6.624 -2.838 665 HD21 LEU 84 3HD2 LEU 84 -9.232 8.202 0.517 666 HD22 LEU 84 1HD2 LEU 84 -8.149 6.837 0.787 667 HD23 LEU 84 2HD2 LEU 84 -9.837 6.738 1.289 668 H GLU 85 HN GLU 85 -14.118 5.052 0.012 669 HA GLU 85 HA GLU 85 -16.161 4.920 -0.916 670 HB2 GLU 85 2HB GLU 85 -16.027 7.899 -0.477 671 HB3 GLU 85 1HB GLU 85 -17.497 7.032 -0.915 672 HG2 GLU 85 2HG GLU 85 -16.885 5.565 1.160 673 HG3 GLU 85 1HG GLU 85 -15.949 6.982 1.627 674 H HIS 86 HN HIS 86 -17.653 6.239 -2.695 675 HA HIS 86 HA HIS 86 -17.999 6.388 -4.936 676 HD1 HIS 86 1HD HIS 86 -14.014 7.536 -7.171 677 HD2 HIS 86 2HD HIS 86 -18.156 7.302 -7.480 678 HE1 HIS 86 1HE HIS 86 -14.516 7.636 -9.635 679 HE2 HIS 86 2HE HIS 86 -17.032 7.733 -9.775 680 HB2 HIS 86 2HB HIS 86 -16.451 8.261 -4.948 681 HB3 HIS 86 1HB HIS 86 -15.072 7.174 -4.982 682 H HIS 87 HN HIS 87 -14.668 5.142 -4.858 683 HA HIS 87 HA HIS 87 -13.726 3.145 -5.352 684 HD1 HIS 87 1HD HIS 87 -15.763 -0.564 -5.057 685 HD2 HIS 87 2HD HIS 87 -12.662 1.493 -3.198 686 HE1 HIS 87 1HE HIS 87 -14.028 -2.302 -4.504 687 HE2 HIS 87 2HE HIS 87 -12.296 -1.066 -3.152 688 HB2 HIS 87 2HB HIS 87 -15.370 2.632 -3.415 689 HB3 HIS 87 1HB HIS 87 -16.325 1.820 -4.648 690 H HIS 88 HN HIS 88 -13.354 3.082 -7.520 691 HA HIS 88 HA HIS 88 -15.452 2.553 -9.401 692 HD1 HIS 88 1HD HIS 88 -11.388 0.952 -10.460 693 HD2 HIS 88 2HD HIS 88 -11.616 4.667 -8.615 694 HE1 HIS 88 1HE HIS 88 -9.081 1.421 -9.601 695 HE2 HIS 88 2HE HIS 88 -9.187 3.788 -8.744 696 HB2 HIS 88 2HB HIS 88 -13.526 2.319 -11.050 697 HB3 HIS 88 1HB HIS 88 -13.724 3.883 -10.278 698 H HIS 89 HN HIS 89 -16.399 0.655 -9.454 699 HA HIS 89 HA HIS 89 -14.829 -1.778 -8.997 700 HD1 HIS 89 1HD HIS 89 -18.676 -3.706 -9.923 701 HD2 HIS 89 2HD HIS 89 -15.541 -3.959 -7.194 702 HE1 HIS 89 1HE HIS 89 -18.443 -6.153 -9.370 703 HE2 HIS 89 2HE HIS 89 -16.421 -6.292 -7.869 704 HB2 HIS 89 2HB HIS 89 -16.955 -1.419 -7.719 705 HB3 HIS 89 1HB HIS 89 -17.831 -1.469 -9.244 706 H HIS 90 HN HIS 90 -14.599 -3.358 -10.556 707 HA HIS 90 HA HIS 90 -15.644 -2.657 -13.221 708 HD1 HIS 90 1HD HIS 90 -13.993 -1.878 -15.412 709 HD2 HIS 90 2HD HIS 90 -11.748 -1.592 -11.926 710 HE1 HIS 90 1HE HIS 90 -12.716 0.283 -15.605 711 HE2 HIS 90 2HE HIS 90 -11.512 0.521 -13.405 712 HB2 HIS 90 2HB HIS 90 -13.058 -3.943 -12.390 713 HB3 HIS 90 1HB HIS 90 -13.689 -4.138 -14.022 714 H HIS 91 HN HIS 91 -17.386 -3.817 -13.567 715 HA HIS 91 HA HIS 91 -17.168 -6.547 -14.171 716 HD1 HIS 91 1HD HIS 91 -20.349 -7.805 -10.940 717 HD2 HIS 91 2HD HIS 91 -18.041 -8.855 -14.237 718 HE1 HIS 91 1HE HIS 91 -21.307 -9.972 -11.781 719 HE2 HIS 91 2HE HIS 91 -20.049 -10.450 -13.912 720 HB2 HIS 91 2HB HIS 91 -17.275 -6.865 -11.720 721 HB3 HIS 91 1HB HIS 91 -18.787 -5.963 -11.672 Start of MODEL 20 1 HA ALA 1 HA ALA 1 4.565 -1.457 -10.195 2 H1 ALA 1 1HT ALA 1 5.360 0.420 -11.462 3 H2 ALA 1 2HT ALA 1 3.797 0.711 -10.878 4 H3 ALA 1 3HT ALA 1 4.034 0.310 -12.511 5 HB1 ALA 1 2HB ALA 1 2.681 -2.775 -11.002 6 HB2 ALA 1 3HB ALA 1 2.410 -1.619 -12.305 7 HB3 ALA 1 1HB ALA 1 2.171 -1.130 -10.627 8 H GLY 2 HN GLY 2 5.797 -3.202 -10.613 9 HA2 GLY 2 2HA GLY 2 6.269 -4.844 -12.562 10 HA3 GLY 2 1HA GLY 2 6.899 -3.393 -13.336 11 H GLU 3 HN GLU 3 8.675 -5.382 -13.076 12 HA GLU 3 HA GLU 3 9.983 -5.279 -10.519 13 HB2 GLU 3 2HB GLU 3 9.936 -7.245 -12.233 14 HB3 GLU 3 1HB GLU 3 11.290 -6.377 -12.944 15 HG2 GLU 3 2HG GLU 3 12.559 -6.542 -10.928 16 HG3 GLU 3 1HG GLU 3 11.185 -7.243 -10.074 17 H ILE 4 HN ILE 4 10.613 -3.306 -10.166 18 HA ILE 4 HA ILE 4 12.418 -1.884 -11.946 19 HB ILE 4 HB ILE 4 11.517 -1.065 -9.176 20 HG12 ILE 4 2HG1 ILE 4 9.540 -1.464 -10.569 21 HG13 ILE 4 1HG1 ILE 4 9.748 0.254 -10.252 22 HG21 ILE 4 1HG2 ILE 4 13.389 0.222 -9.943 23 HG22 ILE 4 2HG2 ILE 4 11.942 1.226 -10.028 24 HG23 ILE 4 3HG2 ILE 4 12.607 0.513 -11.497 25 HD11 ILE 4 3HD1 ILE 4 9.086 -0.105 -12.544 26 HD12 ILE 4 1HD1 ILE 4 10.452 -1.193 -12.796 27 HD13 ILE 4 2HD1 ILE 4 10.735 0.520 -12.488 28 H GLY 5 HN GLY 5 14.461 -0.971 -10.803 29 HA2 GLY 5 2HA GLY 5 16.017 -3.206 -9.962 30 HA3 GLY 5 1HA GLY 5 16.564 -1.549 -10.091 31 H PHE 6 HN PHE 6 14.227 -3.273 -8.100 32 HA PHE 6 HA PHE 6 15.304 -2.006 -5.690 33 HD1 PHE 6 2HD PHE 6 13.676 -0.518 -4.419 34 HD2 PHE 6 1HD PHE 6 11.298 -2.544 -7.307 35 HE1 PHE 6 2HE PHE 6 12.349 1.531 -4.757 36 HE2 PHE 6 1HE PHE 6 9.970 -0.502 -7.650 37 HZ PHE 6 HZ PHE 6 10.484 1.538 -6.372 38 HB2 PHE 6 2HB PHE 6 12.858 -3.733 -6.129 39 HB3 PHE 6 1HB PHE 6 13.368 -3.139 -4.557 40 H ILE 7 HN ILE 7 15.058 -3.731 -3.739 41 HA ILE 7 HA ILE 7 17.098 -5.671 -4.097 42 HB ILE 7 HB ILE 7 15.075 -5.455 -1.853 43 HG12 ILE 7 2HG1 ILE 7 17.886 -4.348 -2.015 44 HG13 ILE 7 1HG1 ILE 7 16.425 -3.392 -2.241 45 HG21 ILE 7 1HG2 ILE 7 16.161 -7.623 -1.886 46 HG22 ILE 7 2HG2 ILE 7 16.766 -6.669 -0.532 47 HG23 ILE 7 3HG2 ILE 7 17.746 -6.856 -1.986 48 HD11 ILE 7 3HD1 ILE 7 17.232 -4.844 0.268 49 HD12 ILE 7 1HD1 ILE 7 15.744 -3.924 0.052 50 HD13 ILE 7 2HD1 ILE 7 17.304 -3.104 -0.010 51 H ILE 8 HN ILE 8 13.583 -5.918 -3.682 52 HA ILE 8 HA ILE 8 13.689 -8.791 -4.192 53 HB ILE 8 HB ILE 8 11.367 -7.034 -3.368 54 HG12 ILE 8 2HG1 ILE 8 13.006 -8.988 -1.749 55 HG13 ILE 8 1HG1 ILE 8 13.195 -7.239 -1.690 56 HG21 ILE 8 1HG2 ILE 8 11.594 -10.037 -3.535 57 HG22 ILE 8 2HG2 ILE 8 10.585 -9.004 -4.549 58 HG23 ILE 8 3HG2 ILE 8 10.240 -9.158 -2.825 59 HD11 ILE 8 3HD1 ILE 8 10.891 -7.036 -0.878 60 HD12 ILE 8 1HD1 ILE 8 11.896 -8.020 0.188 61 HD13 ILE 8 2HD1 ILE 8 10.745 -8.793 -0.901 62 H LYS 9 HN LYS 9 12.837 -9.761 -5.935 63 HA LYS 9 HA LYS 9 12.278 -8.174 -8.273 64 HB2 LYS 9 2HB LYS 9 12.188 -11.165 -7.832 65 HB3 LYS 9 1HB LYS 9 12.077 -10.365 -9.388 66 HG2 LYS 9 2HG LYS 9 14.359 -9.467 -9.040 67 HG3 LYS 9 1HG LYS 9 14.455 -10.400 -7.543 68 HD2 LYS 9 2HD LYS 9 14.013 -12.457 -8.871 69 HD3 LYS 9 1HD LYS 9 14.094 -11.478 -10.337 70 HE2 LYS 9 2HE LYS 9 16.395 -10.824 -9.728 71 HE3 LYS 9 1HE LYS 9 16.304 -11.894 -8.329 72 HZ1 LYS 9 3HZ LYS 9 15.872 -13.741 -9.908 73 HZ2 LYS 9 1HZ LYS 9 17.408 -13.038 -10.084 74 HZ3 LYS 9 2HZ LYS 9 16.177 -12.672 -11.191 75 H GLU 10 HN GLU 10 10.380 -9.548 -9.630 76 HA GLU 10 HA GLU 10 7.942 -9.006 -8.181 77 HB2 GLU 10 2HB GLU 10 8.571 -9.865 -10.995 78 HB3 GLU 10 1HB GLU 10 6.933 -9.806 -10.383 79 HG2 GLU 10 2HG GLU 10 7.272 -7.405 -9.862 80 HG3 GLU 10 1HG GLU 10 8.844 -7.512 -10.655 81 H GLY 11 HN GLY 11 6.144 -10.756 -8.672 82 HA2 GLY 11 2HA GLY 11 6.567 -13.404 -9.055 83 HA3 GLY 11 1HA GLY 11 7.011 -13.163 -7.369 84 H ASP 12 HN ASP 12 5.075 -14.827 -7.595 85 HA ASP 12 HA ASP 12 2.473 -13.627 -7.799 86 HB2 ASP 12 2HB ASP 12 3.254 -16.356 -6.743 87 HB3 ASP 12 1HB ASP 12 1.621 -15.833 -7.140 88 H GLU 13 HN GLU 13 4.808 -14.125 -5.373 89 HA GLU 13 HA GLU 13 2.860 -13.636 -3.233 90 HB2 GLU 13 2HB GLU 13 5.754 -14.462 -2.958 91 HB3 GLU 13 1HB GLU 13 4.510 -14.494 -1.711 92 HG2 GLU 13 2HG GLU 13 3.291 -16.194 -2.997 93 HG3 GLU 13 1HG GLU 13 4.579 -16.189 -4.197 94 H VAL 14 HN VAL 14 4.327 -11.798 -5.255 95 HA VAL 14 HA VAL 14 5.153 -9.795 -3.258 96 HB VAL 14 HB VAL 14 6.024 -9.901 -6.157 97 HG11 VAL 14 1HG1 VAL 14 6.982 -8.226 -3.842 98 HG12 VAL 14 2HG1 VAL 14 6.039 -7.665 -5.223 99 HG13 VAL 14 3HG1 VAL 14 7.690 -8.241 -5.457 100 HG21 VAL 14 3HG2 VAL 14 6.958 -11.805 -4.951 101 HG22 VAL 14 1HG2 VAL 14 7.569 -10.724 -3.699 102 HG23 VAL 14 2HG2 VAL 14 8.213 -10.628 -5.339 103 H ALA 15 HN ALA 15 4.129 -7.840 -3.323 104 HA ALA 15 HA ALA 15 2.272 -7.364 -5.566 105 HB1 ALA 15 1HB ALA 15 0.975 -7.873 -3.580 106 HB2 ALA 15 2HB ALA 15 0.807 -6.161 -3.973 107 HB3 ALA 15 3HB ALA 15 1.867 -6.662 -2.655 108 H ASP 16 HN ASP 16 2.659 -5.562 -6.683 109 HA ASP 16 HA ASP 16 4.538 -3.591 -5.649 110 HB2 ASP 16 2HB ASP 16 3.101 -3.861 -8.271 111 HB3 ASP 16 1HB ASP 16 4.011 -2.430 -7.865 112 H VAL 17 HN VAL 17 3.898 -1.891 -4.598 113 HA VAL 17 HA VAL 17 1.147 -0.916 -4.931 114 HB VAL 17 HB VAL 17 2.592 -0.987 -2.280 115 HG11 VAL 17 1HG1 VAL 17 0.384 -0.467 -1.342 116 HG12 VAL 17 2HG1 VAL 17 -0.273 -0.373 -2.976 117 HG13 VAL 17 3HG1 VAL 17 0.953 0.781 -2.450 118 HG21 VAL 17 3HG2 VAL 17 1.095 -2.802 -1.617 119 HG22 VAL 17 1HG2 VAL 17 2.113 -3.275 -2.977 120 HG23 VAL 17 2HG2 VAL 17 0.423 -2.847 -3.247 121 H THR 18 HN THR 18 0.919 1.215 -5.004 122 HA THR 18 HA THR 18 3.208 2.921 -4.371 123 HB THR 18 HB THR 18 1.515 3.251 -6.857 124 HG1 THR 18 1HG THR 18 3.657 1.647 -6.354 125 HG21 THR 18 3HG2 THR 18 2.528 5.324 -5.952 126 HG22 THR 18 1HG2 THR 18 3.216 4.871 -7.512 127 HG23 THR 18 2HG2 THR 18 4.116 4.555 -6.028 128 H ILE 19 HN ILE 19 2.582 4.398 -2.947 129 HA ILE 19 HA ILE 19 -0.295 4.845 -2.600 130 HB ILE 19 HB ILE 19 1.903 5.742 -0.749 131 HG12 ILE 19 2HG1 ILE 19 0.301 3.180 -0.600 132 HG13 ILE 19 1HG1 ILE 19 1.992 3.278 -1.076 133 HG21 ILE 19 1HG2 ILE 19 0.110 5.777 0.921 134 HG22 ILE 19 2HG2 ILE 19 -1.042 5.285 -0.321 135 HG23 ILE 19 3HG2 ILE 19 -0.234 6.849 -0.437 136 HD11 ILE 19 3HD1 ILE 19 2.554 4.146 1.141 137 HD12 ILE 19 1HD1 ILE 19 1.783 2.563 1.224 138 HD13 ILE 19 2HD1 ILE 19 0.860 4.014 1.611 139 H PHE 20 HN PHE 20 -1.197 6.835 -2.720 140 HA PHE 20 HA PHE 20 0.543 9.027 -3.617 141 HD1 PHE 20 1HD PHE 20 -1.527 6.218 -5.268 142 HD2 PHE 20 2HD PHE 20 0.047 9.904 -6.698 143 HE1 PHE 20 1HE PHE 20 -0.656 5.071 -7.260 144 HE2 PHE 20 2HE PHE 20 0.922 8.761 -8.693 145 HZ PHE 20 HZ PHE 20 0.568 6.339 -8.977 146 HB2 PHE 20 2HB PHE 20 -2.311 8.455 -4.420 147 HB3 PHE 20 1HB PHE 20 -1.417 9.895 -4.869 148 H ALA 21 HN ALA 21 0.336 10.929 -2.682 149 HA ALA 21 HA ALA 21 -1.885 11.743 -1.085 150 HB1 ALA 21 1HB ALA 21 -0.939 10.221 0.540 151 HB2 ALA 21 2HB ALA 21 -0.662 11.883 1.067 152 HB3 ALA 21 3HB ALA 21 0.651 10.952 0.347 153 H GLU 22 HN GLU 22 -1.424 13.926 -0.094 154 HA GLU 22 HA GLU 22 -0.019 15.398 -2.144 155 HB2 GLU 22 2HB GLU 22 -1.511 16.539 0.214 156 HB3 GLU 22 1HB GLU 22 -1.117 17.344 -1.299 157 HG2 GLU 22 2HG GLU 22 -3.105 15.132 -0.856 158 HG3 GLU 22 1HG GLU 22 -3.427 16.796 -1.335 159 H THR 23 HN THR 23 0.217 14.947 1.354 160 HA THR 23 HA THR 23 2.751 16.450 1.319 161 HB THR 23 HB THR 23 2.444 16.577 3.813 162 HG1 THR 23 1HG THR 23 -0.208 15.701 3.189 163 HG21 THR 23 3HG2 THR 23 0.754 18.362 3.712 164 HG22 THR 23 1HG2 THR 23 0.288 17.820 2.100 165 HG23 THR 23 2HG2 THR 23 1.904 18.470 2.378 166 H LYS 24 HN LYS 24 4.573 15.612 2.376 167 HA LYS 24 HA LYS 24 5.047 12.866 2.063 168 HB2 LYS 24 2HB LYS 24 6.786 14.652 2.139 169 HB3 LYS 24 1HB LYS 24 6.537 14.778 3.869 170 HG2 LYS 24 2HG LYS 24 7.297 12.503 4.183 171 HG3 LYS 24 1HG LYS 24 7.476 12.299 2.438 172 HD2 LYS 24 2HD LYS 24 9.636 12.751 3.440 173 HD3 LYS 24 1HD LYS 24 9.149 14.109 2.426 174 HE2 LYS 24 2HE LYS 24 9.999 15.092 4.377 175 HE3 LYS 24 1HE LYS 24 8.246 15.171 4.556 176 HZ1 LYS 24 3HZ LYS 24 9.110 14.443 6.605 177 HZ2 LYS 24 1HZ LYS 24 10.126 13.301 5.876 178 HZ3 LYS 24 2HZ LYS 24 8.446 13.061 5.887 179 H ASP 25 HN ASP 25 4.092 14.757 4.849 180 HA ASP 25 HA ASP 25 4.233 12.817 6.852 181 HB2 ASP 25 2HB ASP 25 3.720 15.146 7.356 182 HB3 ASP 25 1HB ASP 25 2.200 15.030 6.480 183 H ALA 26 HN ALA 26 1.625 13.540 4.571 184 HA ALA 26 HA ALA 26 -0.144 11.539 5.493 185 HB1 ALA 26 1HB ALA 26 -0.887 13.428 4.126 186 HB2 ALA 26 2HB ALA 26 -1.348 11.886 3.404 187 HB3 ALA 26 3HB ALA 26 0.020 12.791 2.754 188 H LEU 27 HN LEU 27 2.408 11.541 3.022 189 HA LEU 27 HA LEU 27 2.019 8.955 2.026 190 HG LEU 27 HG LEU 27 3.021 9.467 -0.062 191 HB2 LEU 27 2HB LEU 27 4.386 10.756 2.285 192 HB3 LEU 27 1HB LEU 27 4.667 9.081 1.883 193 HD11 LEU 27 1HD1 LEU 27 2.751 11.693 -0.848 194 HD12 LEU 27 2HD1 LEU 27 3.806 12.329 0.414 195 HD13 LEU 27 3HD1 LEU 27 2.231 11.662 0.837 196 HD21 LEU 27 3HD2 LEU 27 5.429 9.126 -0.326 197 HD22 LEU 27 1HD2 LEU 27 5.703 10.847 -0.059 198 HD23 LEU 27 2HD2 LEU 27 4.812 10.307 -1.481 199 H GLU 28 HN GLU 28 4.045 10.083 4.705 200 HA GLU 28 HA GLU 28 4.998 7.582 5.506 201 HB2 GLU 28 2HB GLU 28 4.679 10.210 6.937 202 HB3 GLU 28 1HB GLU 28 5.412 8.813 7.699 203 HG2 GLU 28 2HG GLU 28 7.107 8.751 5.924 204 HG3 GLU 28 1HG GLU 28 6.384 10.193 5.213 205 H SER 29 HN SER 29 2.215 9.468 6.659 206 HA SER 29 HA SER 29 1.499 7.787 8.778 207 HG SER 29 HG SER 29 1.319 10.789 7.955 208 HB2 SER 29 2HB SER 29 -0.307 9.532 7.087 209 HB3 SER 29 1HB SER 29 -0.672 8.909 8.693 210 H GLU 30 HN GLU 30 0.337 7.841 5.406 211 HA GLU 30 HA GLU 30 -1.473 5.692 5.808 212 HB2 GLU 30 2HB GLU 30 -1.364 7.519 3.924 213 HB3 GLU 30 1HB GLU 30 -0.357 6.331 3.110 214 HG2 GLU 30 2HG GLU 30 -2.117 4.705 3.190 215 HG3 GLU 30 1HG GLU 30 -3.121 5.782 4.156 216 H LEU 31 HN LEU 31 1.806 5.928 4.514 217 HA LEU 31 HA LEU 31 2.252 3.307 3.728 218 HG LEU 31 HG LEU 31 5.032 2.779 4.863 219 HB2 LEU 31 2HB LEU 31 3.856 5.191 3.482 220 HB3 LEU 31 1HB LEU 31 4.193 5.095 5.193 221 HD11 LEU 31 1HD1 LEU 31 4.745 3.432 1.937 222 HD12 LEU 31 2HD1 LEU 31 3.806 2.234 2.828 223 HD13 LEU 31 3HD1 LEU 31 5.543 2.010 2.610 224 HD21 LEU 31 3HD2 LEU 31 7.145 3.445 3.794 225 HD22 LEU 31 1HD2 LEU 31 6.586 4.631 4.974 226 HD23 LEU 31 2HD2 LEU 31 6.380 4.939 3.251 227 H ALA 32 HN ALA 32 2.707 4.771 6.905 228 HA ALA 32 HA ALA 32 3.548 2.540 8.328 229 HB1 ALA 32 1HB ALA 32 2.765 3.695 10.330 230 HB2 ALA 32 2HB ALA 32 1.831 4.807 9.329 231 HB3 ALA 32 3HB ALA 32 3.592 4.805 9.237 232 H LYS 33 HN LYS 33 0.264 3.546 7.487 233 HA LYS 33 HA LYS 33 -1.018 1.581 9.085 234 HB2 LYS 33 2HB LYS 33 -1.956 3.316 6.814 235 HB3 LYS 33 1HB LYS 33 -3.003 2.160 7.615 236 HG2 LYS 33 2HG LYS 33 -1.608 4.479 8.921 237 HG3 LYS 33 1HG LYS 33 -3.327 4.377 8.530 238 HD2 LYS 33 2HD LYS 33 -3.551 2.467 10.051 239 HD3 LYS 33 1HD LYS 33 -1.834 2.581 10.445 240 HE2 LYS 33 2HE LYS 33 -3.151 3.632 12.181 241 HE3 LYS 33 1HE LYS 33 -2.210 4.849 11.320 242 HZ1 LYS 33 3HZ LYS 33 -4.517 5.528 11.760 243 HZ2 LYS 33 1HZ LYS 33 -5.074 4.250 10.797 244 HZ3 LYS 33 2HZ LYS 33 -4.160 5.501 10.103 245 H TYR 34 HN TYR 34 0.091 1.692 5.753 246 HA TYR 34 HA TYR 34 -1.067 -0.777 4.947 247 HD1 TYR 34 1HD TYR 34 -1.461 1.946 4.446 248 HD2 TYR 34 2HD TYR 34 0.145 -0.039 1.047 249 HE1 TYR 34 1HE TYR 34 -3.040 3.153 3.006 250 HE2 TYR 34 2HE TYR 34 -1.435 1.164 -0.408 251 HH TYR 34 HH TYR 34 -3.164 3.875 0.614 252 HB2 TYR 34 2HB TYR 34 1.285 0.805 3.902 253 HB3 TYR 34 1HB TYR 34 0.800 -0.726 3.191 254 H ILE 35 HN ILE 35 2.078 0.115 6.311 255 HA ILE 35 HA ILE 35 3.182 -2.490 6.343 256 HB ILE 35 HB ILE 35 3.776 -0.155 8.181 257 HG12 ILE 35 2HG1 ILE 35 5.190 -1.082 5.668 258 HG13 ILE 35 1HG1 ILE 35 4.119 0.313 5.766 259 HG21 ILE 35 1HG2 ILE 35 4.533 -2.287 9.113 260 HG22 ILE 35 2HG2 ILE 35 5.895 -1.276 8.637 261 HG23 ILE 35 3HG2 ILE 35 5.408 -2.633 7.621 262 HD11 ILE 35 3HD1 ILE 35 6.722 -0.020 7.238 263 HD12 ILE 35 1HD1 ILE 35 5.649 1.375 7.340 264 HD13 ILE 35 2HD1 ILE 35 6.448 0.988 5.817 265 H GLU 36 HN GLU 36 1.310 -0.641 8.703 266 HA GLU 36 HA GLU 36 1.257 -2.434 10.808 267 HB2 GLU 36 2HB GLU 36 0.375 -0.022 10.579 268 HB3 GLU 36 1HB GLU 36 -1.084 -0.752 9.934 269 HG2 GLU 36 2HG GLU 36 -0.009 -1.563 12.600 270 HG3 GLU 36 1HG GLU 36 -0.974 -0.108 12.401 271 H LEU 37 HN LEU 37 -1.009 -2.080 8.114 272 HA LEU 37 HA LEU 37 -2.643 -4.275 8.670 273 HG LEU 37 HG LEU 37 -4.658 -3.617 7.394 274 HB2 LEU 37 2HB LEU 37 -2.653 -2.292 6.848 275 HB3 LEU 37 1HB LEU 37 -2.074 -3.600 5.838 276 HD11 LEU 37 1HD1 LEU 37 -5.722 -3.423 5.192 277 HD12 LEU 37 2HD1 LEU 37 -4.133 -3.252 4.447 278 HD13 LEU 37 3HD1 LEU 37 -4.721 -2.020 5.563 279 HD21 LEU 37 3HD2 LEU 37 -3.555 -5.561 5.373 280 HD22 LEU 37 1HD2 LEU 37 -5.162 -5.626 6.096 281 HD23 LEU 37 2HD2 LEU 37 -3.732 -5.849 7.104 282 H ALA 38 HN ALA 38 0.425 -4.008 6.983 283 HA ALA 38 HA ALA 38 0.355 -6.554 5.726 284 HB1 ALA 38 1HB ALA 38 1.779 -4.748 4.908 285 HB2 ALA 38 2HB ALA 38 2.728 -6.189 5.273 286 HB3 ALA 38 3HB ALA 38 2.737 -4.821 6.387 287 H LYS 39 HN LYS 39 2.000 -5.375 8.654 288 HA LYS 39 HA LYS 39 3.107 -7.903 9.300 289 HB2 LYS 39 2HB LYS 39 2.736 -5.372 10.886 290 HB3 LYS 39 1HB LYS 39 3.464 -6.815 11.578 291 HG2 LYS 39 2HG LYS 39 5.194 -6.776 9.847 292 HG3 LYS 39 1HG LYS 39 4.473 -5.315 9.167 293 HD2 LYS 39 2HD LYS 39 4.974 -4.071 11.156 294 HD3 LYS 39 1HD LYS 39 5.493 -5.532 11.998 295 HE2 LYS 39 2HE LYS 39 6.836 -4.324 9.577 296 HE3 LYS 39 1HE LYS 39 7.405 -4.189 11.241 297 HZ1 LYS 39 3HZ LYS 39 7.187 -6.673 9.636 298 HZ2 LYS 39 1HZ LYS 39 7.570 -6.642 11.285 299 HZ3 LYS 39 2HZ LYS 39 8.613 -5.928 10.155 300 H SER 40 HN SER 40 0.012 -6.469 9.858 301 HA SER 40 HA SER 40 -0.825 -8.185 11.952 302 HG SER 40 HG SER 40 -1.394 -5.233 11.110 303 HB2 SER 40 2HB SER 40 -2.439 -6.715 9.855 304 HB3 SER 40 1HB SER 40 -3.101 -7.478 11.296 305 H VAL 41 HN VAL 41 -0.654 -8.479 8.475 306 HA VAL 41 HA VAL 41 -2.092 -11.004 8.465 307 HB VAL 41 HB VAL 41 -0.598 -9.622 6.222 308 HG11 VAL 41 1HG1 VAL 41 -2.523 -11.945 6.148 309 HG12 VAL 41 2HG1 VAL 41 -0.784 -12.026 5.865 310 HG13 VAL 41 3HG1 VAL 41 -1.821 -11.144 4.743 311 HG21 VAL 41 3HG2 VAL 41 -2.852 -9.031 5.395 312 HG22 VAL 41 1HG2 VAL 41 -2.475 -8.276 6.945 313 HG23 VAL 41 2HG2 VAL 41 -3.543 -9.679 6.882 314 H CYS 42 HN CYS 42 1.196 -9.843 7.785 315 HA CYS 42 HA CYS 42 2.245 -12.474 8.531 316 HG CYS 42 HG CYS 42 3.931 -14.082 5.865 317 HB2 CYS 42 2HB CYS 42 2.012 -12.411 6.068 318 HB3 CYS 42 1HB CYS 42 3.024 -10.971 6.026 319 H ALA 43 HN ALA 43 3.825 -12.252 9.956 320 HA ALA 43 HA ALA 43 4.921 -9.662 10.551 321 HB1 ALA 43 1HB ALA 43 5.657 -12.358 11.684 322 HB2 ALA 43 2HB ALA 43 4.410 -11.286 12.320 323 HB3 ALA 43 3HB ALA 43 6.101 -10.786 12.347 324 H GLY 44 HN GLY 44 5.846 -12.393 8.653 325 HA2 GLY 44 2HA GLY 44 8.637 -11.497 8.512 326 HA3 GLY 44 1HA GLY 44 8.010 -13.026 7.911 327 H VAL 45 HN VAL 45 6.417 -9.999 7.270 328 HA VAL 45 HA VAL 45 6.514 -10.432 4.466 329 HB VAL 45 HB VAL 45 4.601 -9.297 5.428 330 HG11 VAL 45 1HG1 VAL 45 5.640 -8.181 7.298 331 HG12 VAL 45 2HG1 VAL 45 4.770 -7.006 6.312 332 HG13 VAL 45 3HG1 VAL 45 6.527 -7.117 6.208 333 HG21 VAL 45 3HG2 VAL 45 5.156 -8.766 3.118 334 HG22 VAL 45 1HG2 VAL 45 6.185 -7.438 3.657 335 HG23 VAL 45 2HG2 VAL 45 4.444 -7.371 3.927 336 H GLU 46 HN GLU 46 7.953 -9.820 3.024 337 HA GLU 46 HA GLU 46 10.154 -8.060 3.849 338 HB2 GLU 46 2HB GLU 46 9.863 -9.846 1.424 339 HB3 GLU 46 1HB GLU 46 11.277 -8.877 1.800 340 HG2 GLU 46 2HG GLU 46 11.717 -10.177 3.765 341 HG3 GLU 46 1HG GLU 46 10.219 -11.079 3.549 342 H TYR 47 HN TYR 47 10.208 -5.998 3.098 343 HA TYR 47 HA TYR 47 8.731 -5.430 0.646 344 HD1 TYR 47 2HD TYR 47 9.016 -1.673 2.233 345 HD2 TYR 47 1HD TYR 47 8.100 -4.862 4.902 346 HE1 TYR 47 2HE TYR 47 9.769 -0.298 4.124 347 HE2 TYR 47 1HE TYR 47 8.848 -3.489 6.800 348 HH TYR 47 HH TYR 47 9.589 -0.114 6.450 349 HB2 TYR 47 2HB TYR 47 7.601 -3.527 1.531 350 HB3 TYR 47 1HB TYR 47 7.278 -4.876 2.604 351 H ASN 48 HN ASN 48 9.318 -3.598 -0.445 352 HA ASN 48 HA ASN 48 11.809 -2.274 0.420 353 HB2 ASN 48 2HB ASN 48 10.967 -2.808 -2.441 354 HB3 ASN 48 1HB ASN 48 12.390 -1.915 -1.949 355 HD21 ASN 48 1HD2 ASN 48 13.057 -3.721 0.221 356 HD22 ASN 48 2HD2 ASN 48 13.661 -5.163 -0.519 357 H VAL 49 HN VAL 49 11.969 -0.058 -0.680 358 HA VAL 49 HA VAL 49 9.450 1.167 -1.323 359 HB VAL 49 HB VAL 49 9.331 1.099 1.139 360 HG11 VAL 49 1HG1 VAL 49 11.689 1.140 1.677 361 HG12 VAL 49 2HG1 VAL 49 10.859 2.467 2.488 362 HG13 VAL 49 3HG1 VAL 49 11.829 2.781 1.050 363 HG21 VAL 49 3HG2 VAL 49 9.700 3.868 0.007 364 HG22 VAL 49 1HG2 VAL 49 8.869 3.482 1.514 365 HG23 VAL 49 2HG2 VAL 49 8.220 2.911 -0.023 366 H SER 50 HN SER 50 9.686 3.148 -2.325 367 HA SER 50 HA SER 50 12.281 3.787 -3.346 368 HG SER 50 HG SER 50 9.304 5.879 -2.930 369 HB2 SER 50 2HB SER 50 11.004 5.721 -4.406 370 HB3 SER 50 1HB SER 50 10.447 4.106 -4.827 371 H GLU 51 HN GLU 51 12.265 6.554 -3.458 372 HA GLU 51 HA GLU 51 13.033 7.154 -0.705 373 HB2 GLU 51 2HB GLU 51 14.220 9.071 -1.622 374 HB3 GLU 51 1HB GLU 51 14.667 7.610 -2.486 375 HG2 GLU 51 2HG GLU 51 12.542 9.432 -3.542 376 HG3 GLU 51 1HG GLU 51 14.247 9.771 -3.811 377 H LEU 52 HN LEU 52 11.941 8.476 0.586 378 HA LEU 52 HA LEU 52 9.616 9.886 -0.444 379 HG LEU 52 HG LEU 52 8.322 8.382 0.973 380 HB2 LEU 52 2HB LEU 52 10.718 9.556 2.346 381 HB3 LEU 52 1HB LEU 52 9.327 10.548 1.977 382 HD11 LEU 52 1HD1 LEU 52 9.085 6.324 2.002 383 HD12 LEU 52 2HD1 LEU 52 10.402 7.190 2.793 384 HD13 LEU 52 3HD1 LEU 52 10.366 7.054 1.035 385 HD21 LEU 52 3HD2 LEU 52 8.690 8.706 3.947 386 HD22 LEU 52 1HD2 LEU 52 7.438 7.745 3.159 387 HD23 LEU 52 2HD2 LEU 52 7.465 9.497 2.954 388 H THR 53 HN THR 53 9.732 11.921 -1.111 389 HA THR 53 HA THR 53 12.029 13.537 -0.238 390 HB THR 53 HB THR 53 12.162 14.387 -2.622 391 HG1 THR 53 1HG THR 53 10.714 12.000 -3.203 392 HG21 THR 53 3HG2 THR 53 12.784 11.464 -2.163 393 HG22 THR 53 1HG2 THR 53 13.823 12.825 -1.738 394 HG23 THR 53 2HG2 THR 53 13.476 12.474 -3.430 395 H GLU 54 HN GLU 54 11.640 15.781 -1.606 396 HA GLU 54 HA GLU 54 9.438 17.036 -0.341 397 HB2 GLU 54 2HB GLU 54 10.240 19.022 -1.538 398 HB3 GLU 54 1HB GLU 54 11.553 18.160 -0.762 399 HG2 GLU 54 2HG GLU 54 12.070 17.094 -2.947 400 HG3 GLU 54 1HG GLU 54 10.863 18.146 -3.684 401 H GLU 55 HN GLU 55 10.019 15.729 -3.512 402 HA GLU 55 HA GLU 55 7.584 16.985 -4.543 403 HB2 GLU 55 2HB GLU 55 8.452 16.369 -6.764 404 HB3 GLU 55 1HB GLU 55 9.572 17.379 -5.862 405 HG2 GLU 55 2HG GLU 55 10.929 15.455 -5.319 406 HG3 GLU 55 1HG GLU 55 9.770 14.383 -6.107 407 H SER 56 HN SER 56 8.347 14.123 -3.101 408 HA SER 56 HA SER 56 7.126 12.331 -4.958 409 HG SER 56 HG SER 56 7.257 12.501 -1.401 410 HB2 SER 56 2HB SER 56 7.157 10.748 -2.962 411 HB3 SER 56 1HB SER 56 8.712 11.330 -3.538 412 H LYS 57 HN LYS 57 5.094 12.785 -5.457 413 HA LYS 57 HA LYS 57 3.078 13.030 -3.366 414 HB2 LYS 57 2HB LYS 57 2.995 13.088 -6.383 415 HB3 LYS 57 1HB LYS 57 1.530 13.023 -5.416 416 HG2 LYS 57 2HG LYS 57 3.589 15.163 -5.015 417 HG3 LYS 57 1HG LYS 57 2.312 15.304 -6.227 418 HD2 LYS 57 2HD LYS 57 0.622 15.028 -4.493 419 HD3 LYS 57 1HD LYS 57 1.885 14.838 -3.277 420 HE2 LYS 57 2HE LYS 57 1.642 17.292 -4.991 421 HE3 LYS 57 1HE LYS 57 0.793 17.120 -3.457 422 HZ1 LYS 57 3HZ LYS 57 2.873 18.299 -3.177 423 HZ2 LYS 57 1HZ LYS 57 3.742 16.994 -3.825 424 HZ3 LYS 57 2HZ LYS 57 2.922 16.818 -2.353 425 H GLU 58 HN GLU 58 4.830 10.707 -4.891 426 HA GLU 58 HA GLU 58 2.948 8.601 -4.179 427 HB2 GLU 58 2HB GLU 58 3.286 7.435 -6.303 428 HB3 GLU 58 1HB GLU 58 2.541 9.002 -6.559 429 HG2 GLU 58 2HG GLU 58 5.482 8.477 -6.912 430 HG3 GLU 58 1HG GLU 58 4.305 8.354 -8.215 431 H LEU 59 HN LEU 59 3.923 6.830 -3.369 432 HA LEU 59 HA LEU 59 6.819 6.572 -3.751 433 HG LEU 59 HG LEU 59 4.978 4.848 -0.993 434 HB2 LEU 59 2HB LEU 59 7.215 5.964 -1.491 435 HB3 LEU 59 1HB LEU 59 6.359 7.486 -1.489 436 HD11 LEU 59 1HD1 LEU 59 5.129 5.390 1.390 437 HD12 LEU 59 2HD1 LEU 59 6.138 6.783 1.007 438 HD13 LEU 59 3HD1 LEU 59 6.725 5.154 0.678 439 HD21 LEU 59 3HD2 LEU 59 3.286 6.265 0.054 440 HD22 LEU 59 1HD2 LEU 59 3.525 6.704 -1.635 441 HD23 LEU 59 2HD2 LEU 59 4.224 7.699 -0.359 442 H THR 60 HN THR 60 7.592 4.544 -3.980 443 HA THR 60 HA THR 60 5.539 2.535 -4.571 444 HB THR 60 HB THR 60 8.441 2.552 -5.423 445 HG1 THR 60 1HG THR 60 6.881 4.309 -6.194 446 HG21 THR 60 3HG2 THR 60 7.360 0.342 -5.468 447 HG22 THR 60 1HG2 THR 60 7.699 0.924 -7.099 448 HG23 THR 60 2HG2 THR 60 6.058 1.003 -6.457 449 H ALA 61 HN ALA 61 5.312 0.824 -3.296 450 HA ALA 61 HA ALA 61 7.596 -0.129 -1.737 451 HB1 ALA 61 1HB ALA 61 6.345 1.350 -0.238 452 HB2 ALA 61 2HB ALA 61 6.237 -0.332 0.284 453 HB3 ALA 61 3HB ALA 61 4.876 0.424 -0.545 454 H ARG 62 HN ARG 62 7.835 -2.173 -2.360 455 HA ARG 62 HA ARG 62 5.449 -3.656 -3.174 456 HE ARG 62 HE ARG 62 10.194 -3.601 -6.001 457 HB2 ARG 62 2HB ARG 62 6.949 -5.274 -4.200 458 HB3 ARG 62 1HB ARG 62 7.271 -3.652 -4.790 459 HG2 ARG 62 2HG ARG 62 9.244 -3.502 -3.390 460 HG3 ARG 62 1HG ARG 62 8.893 -5.085 -2.692 461 HD2 ARG 62 2HD ARG 62 10.599 -5.283 -4.410 462 HD3 ARG 62 1HD ARG 62 9.123 -6.104 -4.919 463 HH11 ARG 62 1HH1 ARG 62 7.815 -6.164 -6.134 464 HH12 ARG 62 2HH1 ARG 62 7.135 -5.639 -7.645 465 HH21 ARG 62 1HH2 ARG 62 9.342 -2.947 -8.029 466 HH22 ARG 62 2HH2 ARG 62 8.026 -3.834 -8.734 467 H PHE 63 HN PHE 63 4.618 -5.220 -2.016 468 HA PHE 63 HA PHE 63 6.048 -6.019 0.429 469 HD1 PHE 63 2HD PHE 63 3.171 -3.495 -0.493 470 HD2 PHE 63 1HD PHE 63 4.632 -5.333 3.053 471 HE1 PHE 63 2HE PHE 63 3.160 -1.310 0.636 472 HE2 PHE 63 1HE PHE 63 4.626 -3.150 4.191 473 HZ PHE 63 HZ PHE 63 3.892 -1.134 2.981 474 HB2 PHE 63 2HB PHE 63 3.091 -5.905 -0.190 475 HB3 PHE 63 1HB PHE 63 3.748 -6.656 1.260 476 H LYS 64 HN LYS 64 6.932 -7.933 0.335 477 HA LYS 64 HA LYS 64 5.659 -10.063 -1.251 478 HB2 LYS 64 2HB LYS 64 7.965 -9.627 -1.891 479 HB3 LYS 64 1HB LYS 64 8.487 -9.765 -0.216 480 HG2 LYS 64 2HG LYS 64 7.440 -12.157 -0.408 481 HG3 LYS 64 1HG LYS 64 7.683 -11.890 -2.135 482 HD2 LYS 64 2HD LYS 64 10.028 -11.560 -1.826 483 HD3 LYS 64 1HD LYS 64 9.846 -11.549 -0.069 484 HE2 LYS 64 2HE LYS 64 8.966 -13.904 -0.267 485 HE3 LYS 64 1HE LYS 64 9.490 -13.867 -1.953 486 HZ1 LYS 64 3HZ LYS 64 11.236 -13.472 0.419 487 HZ2 LYS 64 1HZ LYS 64 11.744 -13.434 -1.200 488 HZ3 LYS 64 2HZ LYS 64 11.153 -14.878 -0.536 489 H PHE 65 HN PHE 65 4.873 -11.831 -0.221 490 HA PHE 65 HA PHE 65 5.131 -11.831 2.709 491 HD1 PHE 65 2HD PHE 65 2.599 -10.518 0.103 492 HD2 PHE 65 1HD PHE 65 2.520 -11.439 4.253 493 HE1 PHE 65 2HE PHE 65 1.584 -8.327 0.566 494 HE2 PHE 65 1HE PHE 65 1.506 -9.251 4.725 495 HZ PHE 65 HZ PHE 65 1.038 -7.691 2.882 496 HB2 PHE 65 2HB PHE 65 2.903 -12.813 0.922 497 HB3 PHE 65 1HB PHE 65 2.973 -13.137 2.655 498 H GLU 66 HN GLU 66 4.587 -14.183 3.581 499 HA GLU 66 HA GLU 66 6.871 -15.684 2.680 500 HB2 GLU 66 2HB GLU 66 4.942 -16.106 4.959 501 HB3 GLU 66 1HB GLU 66 6.334 -17.123 4.642 502 HG2 GLU 66 2HG GLU 66 7.776 -15.106 4.873 503 HG3 GLU 66 1HG GLU 66 6.342 -14.214 5.381 504 H VAL 67 HN VAL 67 3.360 -16.132 2.861 505 HA VAL 67 HA VAL 67 3.705 -18.273 0.863 506 HB VAL 67 HB VAL 67 1.644 -19.336 1.619 507 HG11 VAL 67 1HG1 VAL 67 3.771 -20.077 2.560 508 HG12 VAL 67 2HG1 VAL 67 2.455 -20.262 3.718 509 HG13 VAL 67 3HG1 VAL 67 3.592 -18.924 3.882 510 HG21 VAL 67 3HG2 VAL 67 0.573 -18.673 3.727 511 HG22 VAL 67 1HG2 VAL 67 0.467 -17.409 2.502 512 HG23 VAL 67 2HG2 VAL 67 1.637 -17.268 3.812 513 H SER 68 HN SER 68 1.946 -18.479 -0.676 514 HA SER 68 HA SER 68 1.511 -15.996 -1.909 515 HG SER 68 HG SER 68 2.748 -18.050 -2.528 516 HB2 SER 68 2HB SER 68 0.105 -18.586 -2.550 517 HB3 SER 68 1HB SER 68 0.444 -17.249 -3.647 518 H ALA 69 HN ALA 69 -0.402 -17.836 0.272 519 HA ALA 69 HA ALA 69 -2.943 -16.739 -0.305 520 HB1 ALA 69 1HB ALA 69 -1.942 -17.863 2.308 521 HB2 ALA 69 2HB ALA 69 -2.647 -18.801 0.992 522 HB3 ALA 69 3HB ALA 69 -3.628 -17.616 1.856 523 H GLU 70 HN GLU 70 -0.330 -15.738 1.849 524 HA GLU 70 HA GLU 70 -1.737 -13.734 3.245 525 HB2 GLU 70 2HB GLU 70 1.213 -14.016 2.649 526 HB3 GLU 70 1HB GLU 70 0.537 -12.882 3.806 527 HG2 GLU 70 2HG GLU 70 -0.291 -14.680 5.165 528 HG3 GLU 70 1HG GLU 70 0.220 -15.866 3.965 529 H LYS 71 HN LYS 71 -0.095 -13.803 0.173 530 HA LYS 71 HA LYS 71 0.009 -11.019 -0.292 531 HB2 LYS 71 2HB LYS 71 0.806 -13.331 -1.634 532 HB3 LYS 71 1HB LYS 71 -0.373 -12.588 -2.704 533 HG2 LYS 71 2HG LYS 71 1.908 -11.041 -1.529 534 HG3 LYS 71 1HG LYS 71 2.068 -11.963 -3.020 535 HD2 LYS 71 2HD LYS 71 -0.024 -9.842 -2.602 536 HD3 LYS 71 1HD LYS 71 1.563 -9.514 -3.294 537 HE2 LYS 71 2HE LYS 71 0.961 -11.416 -4.950 538 HE3 LYS 71 1HE LYS 71 -0.696 -11.132 -4.415 539 HZ1 LYS 71 3HZ LYS 71 -0.248 -9.826 -6.368 540 HZ2 LYS 71 1HZ LYS 71 1.128 -9.143 -5.658 541 HZ3 LYS 71 2HZ LYS 71 -0.410 -8.774 -5.047 542 H LEU 72 HN LEU 72 -2.357 -13.509 -1.181 543 HA LEU 72 HA LEU 72 -4.096 -11.854 -2.637 544 HG LEU 72 HG LEU 72 -3.060 -14.867 -2.702 545 HB2 LEU 72 2HB LEU 72 -4.771 -14.324 -1.034 546 HB3 LEU 72 1HB LEU 72 -5.773 -13.608 -2.282 547 HD11 LEU 72 1HD1 LEU 72 -4.774 -16.510 -2.226 548 HD12 LEU 72 2HD1 LEU 72 -4.332 -16.572 -3.932 549 HD13 LEU 72 3HD1 LEU 72 -5.834 -15.790 -3.436 550 HD21 LEU 72 3HD2 LEU 72 -5.006 -13.732 -4.709 551 HD22 LEU 72 1HD2 LEU 72 -3.492 -14.558 -5.079 552 HD23 LEU 72 2HD2 LEU 72 -3.467 -13.006 -4.242 553 H ILE 73 HN ILE 73 -3.911 -12.630 0.786 554 HA ILE 73 HA ILE 73 -6.286 -11.340 1.601 555 HB ILE 73 HB ILE 73 -3.723 -11.812 3.151 556 HG12 ILE 73 2HG1 ILE 73 -6.284 -13.417 3.086 557 HG13 ILE 73 1HG1 ILE 73 -4.812 -13.851 2.224 558 HG21 ILE 73 1HG2 ILE 73 -5.081 -10.100 4.215 559 HG22 ILE 73 2HG2 ILE 73 -5.111 -11.589 5.158 560 HG23 ILE 73 3HG2 ILE 73 -6.492 -11.156 4.150 561 HD11 ILE 73 3HD1 ILE 73 -5.102 -13.622 5.211 562 HD12 ILE 73 1HD1 ILE 73 -3.632 -14.066 4.344 563 HD13 ILE 73 2HD1 ILE 73 -5.046 -15.120 4.280 564 H PHE 74 HN PHE 74 -2.911 -10.197 1.460 565 HA PHE 74 HA PHE 74 -3.422 -7.613 2.458 566 HD1 PHE 74 2HD PHE 74 -1.399 -6.550 3.727 567 HD2 PHE 74 1HD PHE 74 -0.449 -6.471 -0.421 568 HE1 PHE 74 2HE PHE 74 -0.436 -4.300 3.992 569 HE2 PHE 74 1HE PHE 74 0.520 -4.224 -0.163 570 HZ PHE 74 HZ PHE 74 0.526 -3.136 2.045 571 HB2 PHE 74 2HB PHE 74 -1.166 -8.661 2.267 572 HB3 PHE 74 1HB PHE 74 -1.248 -8.433 0.524 573 H GLU 75 HN GLU 75 -3.319 -8.886 -0.849 574 HA GLU 75 HA GLU 75 -3.831 -6.589 -2.312 575 HB2 GLU 75 2HB GLU 75 -4.811 -9.419 -2.699 576 HB3 GLU 75 1HB GLU 75 -5.047 -8.159 -3.895 577 HG2 GLU 75 2HG GLU 75 -2.333 -8.935 -2.895 578 HG3 GLU 75 1HG GLU 75 -3.123 -9.775 -4.226 579 H LEU 76 HN LEU 76 -6.176 -8.839 -0.882 580 HA LEU 76 HA LEU 76 -8.473 -7.437 -1.662 581 HG LEU 76 HG LEU 76 -8.265 -10.230 -2.084 582 HB2 LEU 76 2HB LEU 76 -7.769 -9.619 0.233 583 HB3 LEU 76 1HB LEU 76 -9.338 -8.889 0.392 584 HD11 LEU 76 1HD1 LEU 76 -10.348 -11.096 -0.088 585 HD12 LEU 76 2HD1 LEU 76 -8.764 -11.829 -0.345 586 HD13 LEU 76 3HD1 LEU 76 -9.994 -11.916 -1.608 587 HD21 LEU 76 3HD2 LEU 76 -10.546 -9.974 -2.958 588 HD22 LEU 76 1HD2 LEU 76 -9.776 -8.415 -2.664 589 HD23 LEU 76 2HD2 LEU 76 -10.980 -9.031 -1.532 590 H LYS 77 HN LYS 77 -6.571 -7.406 1.312 591 HA LYS 77 HA LYS 77 -8.304 -5.806 2.844 592 HB2 LYS 77 2HB LYS 77 -5.535 -6.750 3.038 593 HB3 LYS 77 1HB LYS 77 -5.816 -5.206 3.825 594 HG2 LYS 77 2HG LYS 77 -6.072 -7.032 5.392 595 HG3 LYS 77 1HG LYS 77 -7.604 -6.197 5.153 596 HD2 LYS 77 2HD LYS 77 -8.464 -7.953 3.832 597 HD3 LYS 77 1HD LYS 77 -6.872 -8.692 3.646 598 HE2 LYS 77 2HE LYS 77 -8.168 -9.963 5.238 599 HE3 LYS 77 1HE LYS 77 -6.838 -9.158 6.065 600 HZ1 LYS 77 3HZ LYS 77 -8.810 -8.946 7.367 601 HZ2 LYS 77 1HZ LYS 77 -9.688 -8.329 6.053 602 HZ3 LYS 77 2HZ LYS 77 -8.433 -7.418 6.743 603 H THR 78 HN THR 78 -5.449 -4.918 0.897 604 HA THR 78 HA THR 78 -5.530 -2.179 1.564 605 HB THR 78 HB THR 78 -4.117 -1.897 -0.533 606 HG1 THR 78 1HG THR 78 -3.913 -4.714 -0.517 607 HG21 THR 78 3HG2 THR 78 -2.170 -2.990 0.484 608 HG22 THR 78 1HG2 THR 78 -3.242 -3.905 1.545 609 HG23 THR 78 2HG2 THR 78 -3.144 -2.151 1.689 610 H ARG 79 HN ARG 79 -6.965 -3.996 -1.118 611 HA ARG 79 HA ARG 79 -7.893 -1.842 -2.614 612 HE ARG 79 HE ARG 79 -6.229 -5.315 -5.636 613 HB2 ARG 79 2HB ARG 79 -8.968 -4.632 -2.234 614 HB3 ARG 79 1HB ARG 79 -9.603 -3.501 -3.411 615 HG2 ARG 79 2HG ARG 79 -7.406 -3.378 -4.473 616 HG3 ARG 79 1HG ARG 79 -6.790 -4.539 -3.303 617 HD2 ARG 79 2HD ARG 79 -8.306 -6.226 -4.123 618 HD3 ARG 79 1HD ARG 79 -9.057 -5.061 -5.217 619 HH11 ARG 79 1HH1 ARG 79 -9.334 -6.770 -6.357 620 HH12 ARG 79 2HH1 ARG 79 -8.797 -7.469 -7.852 621 HH21 ARG 79 1HH2 ARG 79 -5.528 -6.235 -7.587 622 HH22 ARG 79 2HH2 ARG 79 -6.634 -7.174 -8.544 623 H SER 80 HN SER 80 -9.367 -3.572 0.094 624 HA SER 80 HA SER 80 -11.759 -2.021 0.015 625 HG SER 80 HG SER 80 -10.870 -5.159 0.461 626 HB2 SER 80 2HB SER 80 -10.710 -3.852 2.181 627 HB3 SER 80 1HB SER 80 -12.371 -3.323 1.958 628 H LEU 81 HN LEU 81 -8.647 -1.570 1.341 629 HA LEU 81 HA LEU 81 -9.497 0.220 3.445 630 HG LEU 81 HG LEU 81 -6.527 1.545 2.881 631 HB2 LEU 81 2HB LEU 81 -7.608 -0.989 4.059 632 HB3 LEU 81 1HB LEU 81 -6.901 -0.888 2.459 633 HD11 LEU 81 1HD1 LEU 81 -7.216 0.767 5.711 634 HD12 LEU 81 2HD1 LEU 81 -8.116 1.882 4.684 635 HD13 LEU 81 3HD1 LEU 81 -6.489 2.298 5.221 636 HD21 LEU 81 3HD2 LEU 81 -5.144 -0.401 4.717 637 HD22 LEU 81 1HD2 LEU 81 -4.527 1.179 4.235 638 HD23 LEU 81 2HD2 LEU 81 -4.731 -0.094 3.030 639 H ALA 82 HN ALA 82 -7.978 0.322 0.277 640 HA ALA 82 HA ALA 82 -8.094 3.249 0.293 641 HB1 ALA 82 1HB ALA 82 -5.918 2.300 -0.297 642 HB2 ALA 82 2HB ALA 82 -6.627 3.152 -1.669 643 HB3 ALA 82 3HB ALA 82 -6.664 1.389 -1.609 644 H ARG 83 HN ARG 83 -10.360 3.222 0.077 645 HA ARG 83 HA ARG 83 -11.793 1.815 -1.829 646 HE ARG 83 HE ARG 83 -14.101 7.206 0.800 647 HB2 ARG 83 2HB ARG 83 -13.582 3.471 -1.369 648 HB3 ARG 83 1HB ARG 83 -12.888 2.751 0.063 649 HG2 ARG 83 2HG ARG 83 -11.450 4.821 0.250 650 HG3 ARG 83 1HG ARG 83 -12.465 5.526 -1.006 651 HD2 ARG 83 2HD ARG 83 -14.444 4.971 0.476 652 HD3 ARG 83 1HD ARG 83 -13.274 4.626 1.748 653 HH11 ARG 83 1HH1 ARG 83 -11.418 5.481 2.276 654 HH12 ARG 83 2HH1 ARG 83 -10.802 6.890 3.083 655 HH21 ARG 83 1HH2 ARG 83 -13.299 9.038 1.872 656 HH22 ARG 83 2HH2 ARG 83 -11.868 8.907 2.849 657 H LEU 84 HN LEU 84 -11.409 1.868 -3.877 658 HA LEU 84 HA LEU 84 -10.639 4.330 -5.220 659 HG LEU 84 HG LEU 84 -8.918 1.764 -4.774 660 HB2 LEU 84 2HB LEU 84 -10.872 1.501 -6.229 661 HB3 LEU 84 1HB LEU 84 -10.343 2.858 -7.201 662 HD11 LEU 84 1HD1 LEU 84 -8.753 0.304 -6.717 663 HD12 LEU 84 2HD1 LEU 84 -7.208 1.085 -6.381 664 HD13 LEU 84 3HD1 LEU 84 -8.220 1.664 -7.704 665 HD21 LEU 84 3HD2 LEU 84 -8.648 4.190 -4.990 666 HD22 LEU 84 1HD2 LEU 84 -8.124 3.983 -6.661 667 HD23 LEU 84 2HD2 LEU 84 -7.143 3.340 -5.343 668 H GLU 85 HN GLU 85 -12.947 4.879 -4.433 669 HA GLU 85 HA GLU 85 -15.157 3.956 -5.945 670 HB2 GLU 85 2HB GLU 85 -14.961 6.641 -4.607 671 HB3 GLU 85 1HB GLU 85 -16.401 5.685 -4.904 672 HG2 GLU 85 2HG GLU 85 -15.798 4.091 -3.255 673 HG3 GLU 85 1HG GLU 85 -14.196 4.801 -3.067 674 H HIS 86 HN HIS 86 -16.227 4.933 -7.633 675 HA HIS 86 HA HIS 86 -14.850 7.089 -9.051 676 HD1 HIS 86 1HD HIS 86 -13.527 2.909 -10.036 677 HD2 HIS 86 2HD HIS 86 -12.431 6.919 -10.186 678 HE1 HIS 86 1HE HIS 86 -11.015 2.934 -9.890 679 HE2 HIS 86 2HE HIS 86 -10.395 5.377 -9.779 680 HB2 HIS 86 2HB HIS 86 -15.480 4.383 -10.245 681 HB3 HIS 86 1HB HIS 86 -15.116 5.804 -11.214 682 H HIS 87 HN HIS 87 -16.432 8.545 -8.921 683 HA HIS 87 HA HIS 87 -19.178 7.709 -9.478 684 HD1 HIS 87 1HD HIS 87 -17.430 9.163 -6.046 685 HD2 HIS 87 2HD HIS 87 -21.299 8.299 -7.322 686 HE1 HIS 87 1HE HIS 87 -18.558 8.034 -4.098 687 HE2 HIS 87 2HE HIS 87 -20.832 7.367 -4.958 688 HB2 HIS 87 2HB HIS 87 -18.000 10.209 -8.277 689 HB3 HIS 87 1HB HIS 87 -19.680 10.141 -8.805 690 H HIS 88 HN HIS 88 -18.635 7.310 -11.701 691 HA HIS 88 HA HIS 88 -18.300 9.661 -13.391 692 HD1 HIS 88 1HD HIS 88 -19.269 7.923 -16.828 693 HD2 HIS 88 2HD HIS 88 -15.660 9.021 -15.076 694 HE1 HIS 88 1HE HIS 88 -17.921 8.997 -18.661 695 HE2 HIS 88 2HE HIS 88 -15.709 9.579 -17.601 696 HB2 HIS 88 2HB HIS 88 -17.361 7.186 -13.737 697 HB3 HIS 88 1HB HIS 88 -18.932 6.948 -14.491 698 H HIS 89 HN HIS 89 -20.407 10.228 -12.091 699 HA HIS 89 HA HIS 89 -22.615 10.586 -11.961 700 HD1 HIS 89 1HD HIS 89 -22.351 11.734 -16.408 701 HD2 HIS 89 2HD HIS 89 -22.833 12.795 -12.413 702 HE1 HIS 89 1HE HIS 89 -21.976 14.221 -16.310 703 HE2 HIS 89 2HE HIS 89 -22.120 14.808 -13.864 704 HB2 HIS 89 2HB HIS 89 -22.484 9.730 -14.844 705 HB3 HIS 89 1HB HIS 89 -24.008 10.157 -14.070 706 H HIS 90 HN HIS 90 -23.085 7.815 -14.124 707 HA HIS 90 HA HIS 90 -23.209 5.927 -12.000 708 HD1 HIS 90 1HD HIS 90 -25.557 5.623 -9.711 709 HD2 HIS 90 2HD HIS 90 -26.283 3.717 -13.334 710 HE1 HIS 90 1HE HIS 90 -26.407 3.329 -9.115 711 HE2 HIS 90 2HE HIS 90 -26.652 2.134 -11.318 712 HB2 HIS 90 2HB HIS 90 -25.382 7.173 -11.682 713 HB3 HIS 90 1HB HIS 90 -25.881 6.564 -13.258 714 H HIS 91 HN HIS 91 -22.492 4.161 -12.863 715 HA HIS 91 HA HIS 91 -23.758 2.842 -15.000 716 HD1 HIS 91 1HD HIS 91 -19.908 2.628 -17.532 717 HD2 HIS 91 2HD HIS 91 -24.004 1.938 -17.331 718 HE1 HIS 91 1HE HIS 91 -20.393 0.896 -19.291 719 HE2 HIS 91 2HE HIS 91 -22.850 0.388 -19.047 720 HB2 HIS 91 2HB HIS 91 -22.459 4.540 -16.322 721 HB3 HIS 91 1HB HIS 91 -20.979 3.862 -15.654
Contact the webmaster for help, if required. Monday, May 20, 2024 4:55:32 AM GMT (wattos1)