NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
556764 | 2m33 | 18919 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 18.579 -15.191 16.922 2 H2 MET 1 HT2 MET 1 20.244 -15.132 17.217 3 H3 MET 1 HT3 MET 1 19.527 -14.007 16.179 4 HA MET 1 HA MET 1 18.877 -14.254 19.042 5 HB2 MET 1 HB2 MET 1 20.935 -12.585 17.631 6 HB3 MET 1 HB1 MET 1 20.174 -11.989 19.098 7 HG2 MET 1 HG2 MET 1 22.310 -13.093 19.547 8 HG3 MET 1 HG1 MET 1 20.962 -13.917 20.330 9 HE1 MET 1 HE1 MET 1 23.164 -16.980 19.608 10 HE2 MET 1 HE2 MET 1 21.916 -16.358 20.687 11 HE3 MET 1 HE3 MET 1 23.397 -15.440 20.434 12 H ALA 2 HN ALA 2 19.123 -11.714 16.534 13 HA ALA 2 HA ALA 2 16.256 -11.229 16.806 14 HB1 ALA 2 HB1 ALA 2 17.366 -9.795 18.490 15 HB2 ALA 2 HB2 ALA 2 16.514 -8.875 17.250 16 HB3 ALA 2 HB3 ALA 2 18.271 -9.019 17.192 17 H ALA 3 HN ALA 3 17.868 -12.308 14.678 18 HA ALA 3 HA ALA 3 17.174 -10.358 12.614 19 HB1 ALA 3 HB1 ALA 3 19.533 -9.989 12.993 20 HB2 ALA 3 HB2 ALA 3 19.294 -10.764 11.426 21 HB3 ALA 3 HB3 ALA 3 19.858 -11.710 12.805 22 H GLN 4 HN GLN 4 15.992 -11.285 11.100 23 HA GLN 4 HA GLN 4 16.527 -13.985 10.208 24 HB2 GLN 4 HB2 GLN 4 14.050 -14.584 10.492 25 HB3 GLN 4 HB1 GLN 4 15.066 -14.638 11.925 26 HG2 GLN 4 HG2 GLN 4 13.853 -12.037 11.558 27 HG3 GLN 4 HG1 GLN 4 12.652 -13.324 11.648 28 HE21 GLN 4 HE21 GLN 4 11.933 -12.503 13.648 29 HE22 GLN 4 HE22 GLN 4 12.830 -12.773 15.102 30 H SER 5 HN SER 5 16.456 -13.909 8.076 31 HA SER 5 HA SER 5 15.118 -11.764 6.698 32 HB2 SER 5 HB2 SER 5 16.322 -14.155 5.329 33 HB3 SER 5 HB1 SER 5 16.287 -12.471 4.803 34 HG SER 5 HG SER 5 17.990 -12.033 6.012 35 H ASP 6 HN ASP 6 12.941 -12.255 7.361 36 HA ASP 6 HA ASP 6 11.765 -14.724 6.362 37 HB2 ASP 6 HB2 ASP 6 11.194 -13.853 8.631 38 HB3 ASP 6 HB1 ASP 6 10.433 -12.466 7.860 39 H LYS 7 HN LYS 7 11.112 -14.822 4.346 40 HA LYS 7 HA LYS 7 9.932 -12.420 3.096 41 HB2 LYS 7 HB2 LYS 7 11.236 -14.688 1.591 42 HB3 LYS 7 HB1 LYS 7 10.822 -13.090 0.991 43 HG2 LYS 7 HG2 LYS 7 12.915 -13.601 3.090 44 HG3 LYS 7 HG1 LYS 7 13.258 -13.485 1.363 45 HD2 LYS 7 HD2 LYS 7 12.533 -11.211 1.299 46 HD3 LYS 7 HD1 LYS 7 11.894 -11.309 2.941 47 HE2 LYS 7 HE2 LYS 7 14.139 -11.595 3.824 48 HE3 LYS 7 HE1 LYS 7 14.804 -11.594 2.189 49 HZ1 LYS 7 HZ1 LYS 7 13.399 -9.324 3.488 50 HZ2 LYS 7 HZ2 LYS 7 14.032 -9.321 1.919 51 HZ3 LYS 7 HZ3 LYS 7 15.068 -9.448 3.245 52 H ASP 8 HN ASP 8 7.801 -12.641 2.874 53 HA ASP 8 HA ASP 8 6.706 -15.151 1.880 54 HB2 ASP 8 HB2 ASP 8 6.650 -14.908 4.519 55 HB3 ASP 8 HB1 ASP 8 5.264 -13.878 4.172 56 H VAL 9 HN VAL 9 4.088 -14.667 1.819 57 HA VAL 9 HA VAL 9 3.568 -11.958 0.940 58 HB VAL 9 HB VAL 9 4.460 -12.791 -1.112 59 HG11 VAL 9 HG11 VAL 9 2.622 -15.160 -0.799 60 HG12 VAL 9 HG12 VAL 9 4.385 -15.166 -0.732 61 HG13 VAL 9 HG13 VAL 9 3.562 -14.797 -2.248 62 HG21 VAL 9 HG21 VAL 9 2.516 -11.410 -1.398 63 HG22 VAL 9 HG22 VAL 9 1.446 -12.799 -1.197 64 HG23 VAL 9 HG23 VAL 9 2.491 -12.687 -2.614 65 H LYS 10 HN LYS 10 1.814 -11.558 2.113 66 HA LYS 10 HA LYS 10 -0.235 -13.640 2.395 67 HB2 LYS 10 HB2 LYS 10 0.813 -12.385 4.377 68 HB3 LYS 10 HB1 LYS 10 -0.149 -11.009 3.860 69 HG2 LYS 10 HG2 LYS 10 -2.179 -12.155 4.285 70 HG3 LYS 10 HG1 LYS 10 -1.345 -13.695 4.493 71 HD2 LYS 10 HD2 LYS 10 -0.998 -11.291 6.284 72 HD3 LYS 10 HD1 LYS 10 -2.042 -12.668 6.638 73 HE2 LYS 10 HE2 LYS 10 -0.108 -14.153 6.606 74 HE3 LYS 10 HE1 LYS 10 0.940 -12.793 6.212 75 HZ1 LYS 10 HZ1 LYS 10 0.607 -11.850 8.319 76 HZ2 LYS 10 HZ2 LYS 10 0.870 -13.494 8.610 77 HZ3 LYS 10 HZ3 LYS 10 -0.696 -12.866 8.675 78 H TYR 11 HN TYR 11 -1.983 -13.548 1.130 79 HA TYR 11 HA TYR 11 -2.506 -11.193 -0.452 80 HB2 TYR 11 HB2 TYR 11 -3.653 -13.957 -0.334 81 HB3 TYR 11 HB1 TYR 11 -4.525 -12.685 -1.182 82 HD1 TYR 11 HD2 TYR 11 -1.064 -14.100 -0.976 83 HD2 TYR 11 HD1 TYR 11 -4.109 -12.428 -3.434 84 HE1 TYR 11 HE2 TYR 11 0.347 -14.449 -2.957 85 HE2 TYR 11 HE1 TYR 11 -2.701 -12.773 -5.418 86 HH TYR 11 HH TYR 11 -0.108 -12.950 -5.811 87 H TYR 12 HN TYR 12 -3.514 -9.535 0.421 88 HA TYR 12 HA TYR 12 -5.539 -9.985 2.494 89 HB2 TYR 12 HB2 TYR 12 -4.097 -7.484 1.589 90 HB3 TYR 12 HB1 TYR 12 -5.371 -7.498 2.800 91 HD1 TYR 12 HD2 TYR 12 -4.986 -8.832 4.927 92 HD2 TYR 12 HD1 TYR 12 -1.866 -7.924 2.184 93 HE1 TYR 12 HE2 TYR 12 -3.324 -9.256 6.686 94 HE2 TYR 12 HE1 TYR 12 -0.194 -8.339 3.940 95 HH TYR 12 HH TYR 12 -0.088 -8.339 6.420 96 H THR 13 HN THR 13 -7.525 -8.722 2.407 97 HA THR 13 HA THR 13 -8.553 -8.557 -0.314 98 HB THR 13 HB THR 13 -10.565 -7.943 1.606 99 HG1 THR 13 HG1 THR 13 -9.986 -9.099 3.275 100 HG21 THR 13 HG21 THR 13 -11.588 -9.979 0.767 101 HG22 THR 13 HG22 THR 13 -10.047 -10.506 0.096 102 HG23 THR 13 HG23 THR 13 -10.856 -9.089 -0.569 103 H LEU 14 HN LEU 14 -9.811 -6.681 -0.966 104 HA LEU 14 HA LEU 14 -8.487 -4.264 -0.586 105 HB2 LEU 14 HB2 LEU 14 -10.026 -4.922 -2.474 106 HB3 LEU 14 HB1 LEU 14 -11.368 -4.549 -1.409 107 HG LEU 14 HG LEU 14 -10.320 -2.214 -1.202 108 HD11 LEU 14 HD11 LEU 14 -8.156 -2.667 -2.123 109 HD12 LEU 14 HD12 LEU 14 -9.002 -1.539 -3.180 110 HD13 LEU 14 HD13 LEU 14 -8.870 -3.239 -3.629 111 HD21 LEU 14 HD21 LEU 14 -11.383 -1.477 -3.298 112 HD22 LEU 14 HD22 LEU 14 -12.384 -2.609 -2.388 113 HD23 LEU 14 HD23 LEU 14 -11.496 -3.164 -3.808 114 H GLU 15 HN GLU 15 -11.476 -5.440 0.935 115 HA GLU 15 HA GLU 15 -12.002 -3.039 2.351 116 HB2 GLU 15 HB2 GLU 15 -13.576 -4.453 3.677 117 HB3 GLU 15 HB1 GLU 15 -13.806 -4.542 1.939 118 HG2 GLU 15 HG2 GLU 15 -12.046 -6.578 3.159 119 HG3 GLU 15 HG1 GLU 15 -13.769 -6.686 3.513 120 H GLU 16 HN GLU 16 -9.734 -5.528 2.936 121 HA GLU 16 HA GLU 16 -9.635 -5.074 5.799 122 HB2 GLU 16 HB2 GLU 16 -8.567 -7.052 3.942 123 HB3 GLU 16 HB1 GLU 16 -7.385 -6.539 5.138 124 HG2 GLU 16 HG2 GLU 16 -8.479 -8.438 6.013 125 HG3 GLU 16 HG1 GLU 16 -9.081 -7.042 6.903 126 H ILE 17 HN ILE 17 -7.640 -4.363 2.947 127 HA ILE 17 HA ILE 17 -5.568 -3.159 4.506 128 HB ILE 17 HB ILE 17 -4.747 -2.259 2.284 129 HG12 ILE 17 HG12 ILE 17 -5.857 -3.888 0.432 130 HG13 ILE 17 HG11 ILE 17 -7.269 -3.561 1.430 131 HG21 ILE 17 HG21 ILE 17 -3.997 -4.497 1.535 132 HG22 ILE 17 HG22 ILE 17 -5.137 -5.220 2.668 133 HG23 ILE 17 HG23 ILE 17 -3.804 -4.235 3.269 134 HD11 ILE 17 HD11 ILE 17 -6.906 -2.035 -0.537 135 HD12 ILE 17 HD12 ILE 17 -5.523 -1.380 0.341 136 HD13 ILE 17 HD13 ILE 17 -7.144 -1.250 1.022 137 H LYS 18 HN LYS 18 -8.372 -1.880 2.772 138 HA LYS 18 HA LYS 18 -7.557 0.853 3.136 139 HB2 LYS 18 HB2 LYS 18 -9.677 1.461 2.163 140 HB3 LYS 18 HB1 LYS 18 -8.987 0.135 1.237 141 HG2 LYS 18 HG2 LYS 18 -10.649 -1.283 1.781 142 HG3 LYS 18 HG1 LYS 18 -10.812 -0.640 3.417 143 HD2 LYS 18 HD2 LYS 18 -12.811 -0.190 2.077 144 HD3 LYS 18 HD1 LYS 18 -11.999 1.305 2.543 145 HE2 LYS 18 HE2 LYS 18 -10.965 1.425 0.321 146 HE3 LYS 18 HE1 LYS 18 -11.785 -0.068 -0.138 147 HZ1 LYS 18 HZ1 LYS 18 -13.846 0.972 -0.139 148 HZ2 LYS 18 HZ2 LYS 18 -12.835 2.144 -0.815 149 HZ3 LYS 18 HZ3 LYS 18 -13.315 2.276 0.800 150 H LYS 19 HN LYS 19 -8.355 -1.259 5.391 151 HA LYS 19 HA LYS 19 -9.855 0.732 6.965 152 HB2 LYS 19 HB2 LYS 19 -10.957 -1.546 6.392 153 HB3 LYS 19 HB1 LYS 19 -9.858 -2.210 7.589 154 HG2 LYS 19 HG2 LYS 19 -11.885 -1.828 8.715 155 HG3 LYS 19 HG1 LYS 19 -10.805 -0.527 9.217 156 HD2 LYS 19 HD2 LYS 19 -12.996 0.377 8.755 157 HD3 LYS 19 HD1 LYS 19 -11.852 0.950 7.540 158 HE2 LYS 19 HE2 LYS 19 -12.701 -0.548 5.909 159 HE3 LYS 19 HE1 LYS 19 -13.632 -1.442 7.109 160 HZ1 LYS 19 HZ1 LYS 19 -15.027 0.029 5.785 161 HZ2 LYS 19 HZ2 LYS 19 -14.128 1.369 6.286 162 HZ3 LYS 19 HZ3 LYS 19 -15.035 0.493 7.411 163 H HIS 20 HN HIS 20 -6.883 -0.463 6.513 164 HA HIS 20 HA HIS 20 -6.211 -0.487 9.382 165 HB2 HIS 20 HB2 HIS 20 -5.057 -1.891 7.018 166 HB3 HIS 20 HB1 HIS 20 -3.957 -1.428 8.310 167 HD1 HIS 20 HD1 HIS 20 -6.900 -3.664 7.602 168 HD2 HIS 20 HD2 HIS 20 -4.135 -2.937 10.628 169 HE1 HIS 20 HE1 HIS 20 -7.199 -5.530 9.262 170 HE2 HIS 20 HE2 HIS 20 -5.410 -5.159 10.997 171 H ASN 21 HN ASN 21 -6.200 1.460 6.732 172 HA ASN 21 HA ASN 21 -3.645 2.727 7.021 173 HB2 ASN 21 HB2 ASN 21 -4.597 4.417 5.450 174 HB3 ASN 21 HB1 ASN 21 -4.719 2.766 4.859 175 HD21 ASN 21 HD21 ASN 21 -6.244 4.843 3.838 176 HD22 ASN 21 HD22 ASN 21 -7.903 4.572 4.241 177 H HIS 22 HN HIS 22 -3.861 3.008 9.390 178 HA HIS 22 HA HIS 22 -5.403 5.431 10.043 179 HB2 HIS 22 HB2 HIS 22 -4.535 3.167 11.845 180 HB3 HIS 22 HB1 HIS 22 -5.254 4.663 12.427 181 HD1 HIS 22 HD1 HIS 22 -7.766 4.806 12.404 182 HD2 HIS 22 HD2 HIS 22 -6.320 1.546 10.277 183 HE1 HIS 22 HE1 HIS 22 -9.787 3.428 11.826 184 HE2 HIS 22 HE2 HIS 22 -8.853 1.353 10.739 185 H SER 23 HN SER 23 -2.617 3.874 11.671 186 HA SER 23 HA SER 23 -1.015 6.239 11.081 187 HB2 SER 23 HB2 SER 23 -0.405 6.198 13.638 188 HB3 SER 23 HB1 SER 23 -1.842 7.056 13.076 189 HG SER 23 HG SER 23 -2.833 5.823 14.461 190 H LYS 24 HN LYS 24 -1.022 3.166 12.916 191 HA LYS 24 HA LYS 24 1.807 2.855 12.178 192 HB2 LYS 24 HB2 LYS 24 1.826 1.094 13.996 193 HB3 LYS 24 HB1 LYS 24 1.619 2.756 14.523 194 HG2 LYS 24 HG2 LYS 24 -0.814 2.359 14.707 195 HG3 LYS 24 HG1 LYS 24 -0.543 0.672 14.268 196 HD2 LYS 24 HD2 LYS 24 -0.724 0.850 16.668 197 HD3 LYS 24 HD1 LYS 24 0.938 0.436 16.241 198 HE2 LYS 24 HE2 LYS 24 1.597 2.770 16.504 199 HE3 LYS 24 HE1 LYS 24 -0.067 3.202 16.899 200 HZ1 LYS 24 HZ1 LYS 24 0.183 1.524 18.775 201 HZ2 LYS 24 HZ2 LYS 24 0.991 2.996 18.944 202 HZ3 LYS 24 HZ3 LYS 24 1.848 1.609 18.488 203 H SER 25 HN SER 25 -0.783 2.154 10.688 204 HA SER 25 HA SER 25 0.185 -0.442 9.748 205 HB2 SER 25 HB2 SER 25 -2.769 0.053 10.109 206 HB3 SER 25 HB1 SER 25 -1.942 -1.481 9.834 207 HG SER 25 HG SER 25 -0.913 -1.030 11.962 208 H THR 26 HN THR 26 0.337 2.319 8.828 209 HA THR 26 HA THR 26 -1.487 2.757 6.684 210 HB THR 26 HB THR 26 1.240 4.007 6.904 211 HG1 THR 26 HG1 THR 26 0.616 4.489 8.896 212 HG21 THR 26 HG21 THR 26 0.081 5.969 6.026 213 HG22 THR 26 HG22 THR 26 -1.449 5.092 6.060 214 HG23 THR 26 HG23 THR 26 -0.167 4.578 4.964 215 H TRP 27 HN TRP 27 -1.537 1.336 5.041 216 HA TRP 27 HA TRP 27 1.023 0.551 3.822 217 HB2 TRP 27 HB2 TRP 27 -1.613 -0.938 3.842 218 HB3 TRP 27 HB1 TRP 27 -0.174 -1.446 2.964 219 HD1 TRP 27 HD1 TRP 27 1.827 -0.679 5.479 220 HE1 TRP 27 HE1 TRP 27 1.956 -2.350 7.424 221 HE3 TRP 27 HE3 TRP 27 -2.567 -3.164 4.681 222 HZ2 TRP 27 HZ2 TRP 27 0.380 -4.448 8.495 223 HZ3 TRP 27 HZ3 TRP 27 -3.184 -4.990 6.207 224 HH2 TRP 27 HH2 TRP 27 -1.741 -5.620 8.074 225 H LEU 28 HN LEU 28 1.254 0.672 1.624 226 HA LEU 28 HA LEU 28 -0.906 2.054 0.158 227 HB2 LEU 28 HB2 LEU 28 2.050 2.453 0.160 228 HB3 LEU 28 HB1 LEU 28 1.203 2.663 -1.358 229 HG LEU 28 HG LEU 28 -0.300 4.183 0.387 230 HD11 LEU 28 HD11 LEU 28 1.349 3.939 2.149 231 HD12 LEU 28 HD12 LEU 28 1.320 5.600 1.560 232 HD13 LEU 28 HD13 LEU 28 2.617 4.512 1.065 233 HD21 LEU 28 HD21 LEU 28 0.856 6.103 -0.736 234 HD22 LEU 28 HD22 LEU 28 0.237 4.874 -1.836 235 HD23 LEU 28 HD23 LEU 28 1.958 4.935 -1.463 236 H ILE 29 HN ILE 29 -1.252 1.406 -2.021 237 HA ILE 29 HA ILE 29 -0.223 -1.293 -2.567 238 HB ILE 29 HB ILE 29 -2.675 0.036 -3.729 239 HG12 ILE 29 HG12 ILE 29 -2.534 -2.214 -1.720 240 HG13 ILE 29 HG11 ILE 29 -2.832 -0.532 -1.292 241 HG21 ILE 29 HG21 ILE 29 -3.195 -2.187 -4.610 242 HG22 ILE 29 HG22 ILE 29 -1.665 -2.791 -3.976 243 HG23 ILE 29 HG23 ILE 29 -1.673 -1.573 -5.250 244 HD11 ILE 29 HD11 ILE 29 -4.554 -2.131 -3.166 245 HD12 ILE 29 HD12 ILE 29 -4.878 -0.518 -2.529 246 HD13 ILE 29 HD13 ILE 29 -4.881 -1.911 -1.448 247 H LEU 30 HN LEU 30 1.174 -1.558 -4.125 248 HA LEU 30 HA LEU 30 1.205 0.325 -6.378 249 HB2 LEU 30 HB2 LEU 30 3.622 -0.684 -4.871 250 HB3 LEU 30 HB1 LEU 30 3.694 0.185 -6.391 251 HG LEU 30 HG LEU 30 2.523 1.348 -3.863 252 HD11 LEU 30 HD11 LEU 30 4.622 2.580 -3.641 253 HD12 LEU 30 HD12 LEU 30 5.292 1.691 -5.010 254 HD13 LEU 30 HD13 LEU 30 4.881 0.839 -3.521 255 HD21 LEU 30 HD21 LEU 30 1.722 2.380 -5.919 256 HD22 LEU 30 HD22 LEU 30 3.381 2.604 -6.470 257 HD23 LEU 30 HD23 LEU 30 2.800 3.475 -5.052 258 H HIS 31 HN HIS 31 1.090 -0.702 -8.254 259 HA HIS 31 HA HIS 31 1.105 -2.338 -9.835 260 HB2 HIS 31 HB2 HIS 31 3.118 -3.841 -8.150 261 HB3 HIS 31 HB1 HIS 31 2.865 -3.963 -9.882 262 HD1 HIS 31 HD1 HIS 31 3.714 -1.869 -11.323 263 HD2 HIS 31 HD2 HIS 31 4.972 -2.006 -7.364 264 HE1 HIS 31 HE1 HIS 31 5.649 -0.267 -11.171 265 HE2 HIS 31 HE2 HIS 31 6.493 -0.496 -8.806 266 H HIS 32 HN HIS 32 -0.631 -2.396 -7.502 267 HA HIS 32 HA HIS 32 -2.338 -3.652 -6.699 268 HB2 HIS 32 HB2 HIS 32 -1.350 -5.594 -8.784 269 HB3 HIS 32 HB1 HIS 32 -2.700 -5.975 -7.719 270 HD1 HIS 32 HD1 HIS 32 -2.531 -5.315 -10.976 271 HD2 HIS 32 HD2 HIS 32 -4.304 -3.118 -7.925 272 HE1 HIS 32 HE1 HIS 32 -4.285 -3.906 -12.090 273 HE2 HIS 32 HE2 HIS 32 -5.223 -2.463 -10.252 274 H LYS 33 HN LYS 33 0.519 -3.804 -5.733 275 HA LYS 33 HA LYS 33 0.262 -6.254 -4.116 276 HB2 LYS 33 HB2 LYS 33 2.799 -4.738 -4.767 277 HB3 LYS 33 HB1 LYS 33 2.682 -6.259 -3.893 278 HG2 LYS 33 HG2 LYS 33 1.986 -7.418 -5.851 279 HG3 LYS 33 HG1 LYS 33 1.798 -5.911 -6.746 280 HD2 LYS 33 HD2 LYS 33 4.251 -5.528 -6.461 281 HD3 LYS 33 HD1 LYS 33 4.366 -7.145 -5.760 282 HE2 LYS 33 HE2 LYS 33 3.189 -6.625 -8.483 283 HE3 LYS 33 HE1 LYS 33 4.905 -6.936 -8.233 284 HZ1 LYS 33 HZ1 LYS 33 3.503 -8.908 -8.831 285 HZ2 LYS 33 HZ2 LYS 33 2.789 -8.795 -7.297 286 HZ3 LYS 33 HZ3 LYS 33 4.452 -9.089 -7.442 287 H VAL 34 HN VAL 34 0.831 -6.082 -1.874 288 HA VAL 34 HA VAL 34 0.202 -3.431 -0.805 289 HB VAL 34 HB VAL 34 0.472 -5.963 0.807 290 HG11 VAL 34 HG11 VAL 34 -0.925 -4.835 2.405 291 HG12 VAL 34 HG12 VAL 34 -1.182 -3.487 1.296 292 HG13 VAL 34 HG13 VAL 34 0.418 -3.771 1.984 293 HG21 VAL 34 HG21 VAL 34 -1.127 -6.407 -0.979 294 HG22 VAL 34 HG22 VAL 34 -2.013 -4.937 -0.566 295 HG23 VAL 34 HG23 VAL 34 -1.943 -6.278 0.579 296 H TYR 35 HN TYR 35 1.751 -2.151 -0.081 297 HA TYR 35 HA TYR 35 4.300 -3.360 0.779 298 HB2 TYR 35 HB2 TYR 35 3.734 -0.730 -0.592 299 HB3 TYR 35 HB1 TYR 35 5.277 -1.088 0.177 300 HD1 TYR 35 HD2 TYR 35 6.704 -2.908 -0.729 301 HD2 TYR 35 HD1 TYR 35 3.172 -1.636 -2.724 302 HE1 TYR 35 HE2 TYR 35 7.483 -3.998 -2.790 303 HE2 TYR 35 HE1 TYR 35 3.939 -2.729 -4.790 304 HH TYR 35 HH TYR 35 6.512 -4.917 -4.868 305 H ASP 36 HN ASP 36 5.048 -2.906 2.763 306 HA ASP 36 HA ASP 36 3.396 -1.176 4.456 307 HB2 ASP 36 HB2 ASP 36 3.600 -3.293 5.471 308 HB3 ASP 36 HB1 ASP 36 5.313 -3.411 5.085 309 H LEU 37 HN LEU 37 4.059 0.801 4.737 310 HA LEU 37 HA LEU 37 6.886 1.306 5.247 311 HB2 LEU 37 HB2 LEU 37 6.954 3.206 3.745 312 HB3 LEU 37 HB1 LEU 37 6.548 1.755 2.854 313 HG LEU 37 HG LEU 37 4.296 3.463 3.792 314 HD11 LEU 37 HD11 LEU 37 6.008 4.157 1.405 315 HD12 LEU 37 HD12 LEU 37 5.937 5.072 2.911 316 HD13 LEU 37 HD13 LEU 37 4.507 4.947 1.886 317 HD21 LEU 37 HD21 LEU 37 3.242 2.655 1.824 318 HD22 LEU 37 HD22 LEU 37 4.062 1.276 2.555 319 HD23 LEU 37 HD23 LEU 37 4.772 2.082 1.156 320 H THR 38 HN THR 38 4.392 1.158 6.795 321 HA THR 38 HA THR 38 3.444 3.722 7.457 322 HB THR 38 HB THR 38 2.385 1.464 8.008 323 HG1 THR 38 HG1 THR 38 2.559 3.523 9.972 324 HG21 THR 38 HG21 THR 38 4.244 1.689 10.372 325 HG22 THR 38 HG22 THR 38 4.269 0.432 9.140 326 HG23 THR 38 HG23 THR 38 2.898 0.561 10.238 327 H LYS 39 HN LYS 39 6.389 2.169 8.208 328 HA LYS 39 HA LYS 39 6.947 4.174 10.289 329 HB2 LYS 39 HB2 LYS 39 7.887 1.353 9.928 330 HB3 LYS 39 HB1 LYS 39 8.919 2.501 10.767 331 HG2 LYS 39 HG2 LYS 39 6.076 1.878 11.550 332 HG3 LYS 39 HG1 LYS 39 7.508 1.154 12.285 333 HD2 LYS 39 HD2 LYS 39 8.236 3.256 13.131 334 HD3 LYS 39 HD1 LYS 39 7.032 4.128 12.182 335 HE2 LYS 39 HE2 LYS 39 5.304 2.768 13.515 336 HE3 LYS 39 HE1 LYS 39 6.639 2.418 14.616 337 HZ1 LYS 39 HZ1 LYS 39 6.943 4.756 14.984 338 HZ2 LYS 39 HZ2 LYS 39 5.330 4.361 15.289 339 HZ3 LYS 39 HZ3 LYS 39 5.749 5.150 13.852 340 H PHE 40 HN PHE 40 7.122 4.136 7.263 341 HA PHE 40 HA PHE 40 9.886 5.135 7.076 342 HB2 PHE 40 HB2 PHE 40 9.569 2.965 5.878 343 HB3 PHE 40 HB1 PHE 40 8.318 3.718 4.905 344 HD1 PHE 40 HD1 PHE 40 11.936 3.894 5.723 345 HD2 PHE 40 HD2 PHE 40 8.855 4.861 2.941 346 HE1 PHE 40 HE1 PHE 40 13.633 4.591 4.081 347 HE2 PHE 40 HE2 PHE 40 10.550 5.561 1.301 348 HZ PHE 40 HZ PHE 40 12.941 5.425 1.868 349 H LEU 41 HN LEU 41 6.744 5.951 7.177 350 HA LEU 41 HA LEU 41 6.228 7.619 5.012 351 HB2 LEU 41 HB2 LEU 41 5.347 8.048 7.866 352 HB3 LEU 41 HB1 LEU 41 4.590 8.724 6.437 353 HG LEU 41 HG LEU 41 4.729 5.766 7.019 354 HD11 LEU 41 HD11 LEU 41 3.414 6.894 8.728 355 HD12 LEU 41 HD12 LEU 41 2.381 5.951 7.653 356 HD13 LEU 41 HD13 LEU 41 2.469 7.704 7.479 357 HD21 LEU 41 HD21 LEU 41 3.125 7.370 5.031 358 HD22 LEU 41 HD22 LEU 41 2.974 5.634 5.311 359 HD23 LEU 41 HD23 LEU 41 4.475 6.295 4.662 360 H GLU 42 HN GLU 42 7.725 8.404 8.131 361 HA GLU 42 HA GLU 42 8.231 11.130 7.380 362 HB2 GLU 42 HB2 GLU 42 9.547 11.152 9.537 363 HB3 GLU 42 HB1 GLU 42 7.844 10.745 9.687 364 HG2 GLU 42 HG2 GLU 42 8.413 8.376 9.829 365 HG3 GLU 42 HG1 GLU 42 10.122 8.776 9.658 366 H GLU 43 HN GLU 43 9.704 8.253 6.620 367 HA GLU 43 HA GLU 43 12.393 9.397 6.441 368 HB2 GLU 43 HB2 GLU 43 11.386 6.576 6.026 369 HB3 GLU 43 HB1 GLU 43 13.058 7.071 5.809 370 HG2 GLU 43 HG2 GLU 43 11.504 7.220 8.380 371 HG3 GLU 43 HG1 GLU 43 12.701 5.995 7.961 372 H HIS 44 HN HIS 44 9.663 9.275 4.667 373 HA HIS 44 HA HIS 44 10.858 8.742 2.085 374 HB2 HIS 44 HB2 HIS 44 8.569 7.978 2.567 375 HB3 HIS 44 HB1 HIS 44 8.066 9.644 2.827 376 HD1 HIS 44 HD1 HIS 44 7.092 10.772 0.817 377 HD2 HIS 44 HD2 HIS 44 9.519 7.548 -0.195 378 HE1 HIS 44 HE1 HIS 44 6.904 10.501 -1.690 379 HA PRO 45 HA PRO 45 12.032 13.026 1.648 380 HB2 PRO 45 HB2 PRO 45 12.849 12.836 -0.955 381 HB3 PRO 45 HB1 PRO 45 13.839 12.334 0.418 382 HG2 PRO 45 HG2 PRO 45 12.202 10.665 -1.422 383 HG3 PRO 45 HG1 PRO 45 13.797 10.337 -0.717 384 HD2 PRO 45 HD2 PRO 45 11.530 9.221 0.239 385 HD3 PRO 45 HD1 PRO 45 12.925 9.601 1.269 386 H GLY 46 HN GLY 46 10.462 14.468 1.481 387 HA2 GLY 46 HA2 GLY 46 9.314 15.792 -0.328 388 HA3 GLY 46 HA1 GLY 46 8.583 14.258 -0.784 389 H GLY 47 HN GLY 47 8.287 13.376 1.998 390 HA2 GLY 47 HA2 GLY 47 7.111 14.475 3.941 391 HA3 GLY 47 HA1 GLY 47 6.034 15.144 2.725 392 H GLU 48 HN GLU 48 4.889 13.820 4.702 393 HA GLU 48 HA GLU 48 4.389 11.088 3.767 394 HB2 GLU 48 HB2 GLU 48 3.312 10.755 5.959 395 HB3 GLU 48 HB1 GLU 48 4.979 11.294 6.118 396 HG2 GLU 48 HG2 GLU 48 4.246 13.540 6.611 397 HG3 GLU 48 HG1 GLU 48 2.566 13.078 6.344 398 H GLU 49 HN GLU 49 3.062 14.203 3.696 399 HA GLU 49 HA GLU 49 0.323 13.783 3.895 400 HB2 GLU 49 HB2 GLU 49 1.706 15.965 3.576 401 HB3 GLU 49 HB1 GLU 49 1.455 15.669 1.862 402 HG2 GLU 49 HG2 GLU 49 -0.246 17.152 2.534 403 HG3 GLU 49 HG1 GLU 49 -1.012 15.576 2.347 404 H VAL 50 HN VAL 50 2.451 13.402 1.106 405 HA VAL 50 HA VAL 50 0.374 12.778 -0.739 406 HB VAL 50 HB VAL 50 2.231 11.977 -2.206 407 HG11 VAL 50 HG11 VAL 50 3.274 14.198 -2.470 408 HG12 VAL 50 HG12 VAL 50 2.572 14.686 -0.925 409 HG13 VAL 50 HG13 VAL 50 1.521 14.285 -2.285 410 HG21 VAL 50 HG21 VAL 50 4.542 12.337 -1.495 411 HG22 VAL 50 HG22 VAL 50 3.740 11.155 -0.460 412 HG23 VAL 50 HG23 VAL 50 3.982 12.807 0.111 413 H LEU 51 HN LEU 51 2.002 10.950 1.667 414 HA LEU 51 HA LEU 51 1.471 8.402 0.366 415 HB2 LEU 51 HB2 LEU 51 2.674 9.016 3.063 416 HB3 LEU 51 HB1 LEU 51 2.554 7.419 2.350 417 HG LEU 51 HG LEU 51 4.168 9.712 1.225 418 HD11 LEU 51 HD11 LEU 51 5.033 7.229 2.696 419 HD12 LEU 51 HD12 LEU 51 5.115 8.885 3.302 420 HD13 LEU 51 HD13 LEU 51 6.110 8.396 1.929 421 HD21 LEU 51 HD21 LEU 51 3.888 6.838 0.365 422 HD22 LEU 51 HD22 LEU 51 5.140 7.932 -0.218 423 HD23 LEU 51 HD23 LEU 51 3.443 8.274 -0.554 424 H ARG 52 HN ARG 52 0.403 10.227 3.209 425 HA ARG 52 HA ARG 52 -1.340 8.241 4.211 426 HB2 ARG 52 HB2 ARG 52 -2.363 10.062 5.533 427 HB3 ARG 52 HB1 ARG 52 -0.611 10.051 5.638 428 HG2 ARG 52 HG2 ARG 52 -0.418 11.934 4.225 429 HG3 ARG 52 HG1 ARG 52 -2.117 11.841 3.755 430 HD2 ARG 52 HD2 ARG 52 -1.907 13.619 5.319 431 HD3 ARG 52 HD1 ARG 52 -2.707 12.284 6.146 432 HE ARG 52 HE ARG 52 -0.208 11.840 6.882 433 HH11 ARG 52 HH11 ARG 52 -1.950 14.887 6.627 434 HH12 ARG 52 HH12 ARG 52 -1.025 15.667 7.962 435 HH21 ARG 52 HH21 ARG 52 1.021 12.794 8.573 436 HH22 ARG 52 HH22 ARG 52 0.631 14.494 9.059 437 H GLU 53 HN GLU 53 -1.781 10.720 1.763 438 HA GLU 53 HA GLU 53 -4.637 10.414 1.698 439 HB2 GLU 53 HB2 GLU 53 -4.626 11.951 -0.130 440 HB3 GLU 53 HB1 GLU 53 -3.465 12.525 1.056 441 HG2 GLU 53 HG2 GLU 53 -1.630 11.745 -0.274 442 HG3 GLU 53 HG1 GLU 53 -2.733 10.959 -1.404 443 H GLN 54 HN GLN 54 -2.057 8.621 0.493 444 HA GLN 54 HA GLN 54 -3.789 7.342 -1.521 445 HB2 GLN 54 HB2 GLN 54 -0.774 7.444 -1.320 446 HB3 GLN 54 HB1 GLN 54 -1.647 6.439 -2.467 447 HG2 GLN 54 HG2 GLN 54 -1.808 9.439 -2.323 448 HG3 GLN 54 HG1 GLN 54 -0.807 8.525 -3.447 449 HE21 GLN 54 HE21 GLN 54 -4.047 9.451 -2.594 450 HE22 GLN 54 HE22 GLN 54 -4.793 8.967 -4.077 451 H ALA 55 HN ALA 55 -3.070 7.043 1.536 452 HA ALA 55 HA ALA 55 -2.120 4.369 1.779 453 HB1 ALA 55 HB1 ALA 55 -3.578 6.074 3.793 454 HB2 ALA 55 HB2 ALA 55 -1.831 6.032 3.553 455 HB3 ALA 55 HB3 ALA 55 -2.677 4.596 4.133 456 H GLY 56 HN GLY 56 -3.199 2.522 1.660 457 HA2 GLY 56 HA2 GLY 56 -5.003 1.060 1.910 458 HA3 GLY 56 HA1 GLY 56 -6.053 2.439 2.204 459 H GLY 57 HN GLY 57 -4.047 2.821 -0.508 460 HA2 GLY 57 HA2 GLY 57 -5.956 1.631 -2.366 461 HA3 GLY 57 HA1 GLY 57 -5.773 3.379 -2.429 462 H ASP 58 HN ASP 58 -5.232 2.084 -4.682 463 HA ASP 58 HA ASP 58 -2.401 1.461 -4.817 464 HB2 ASP 58 HB2 ASP 58 -3.988 0.108 -6.131 465 HB3 ASP 58 HB1 ASP 58 -4.483 1.549 -7.012 466 H ALA 59 HN ALA 59 -0.875 2.852 -5.269 467 HA ALA 59 HA ALA 59 -1.629 5.418 -6.512 468 HB1 ALA 59 HB1 ALA 59 0.276 6.399 -5.254 469 HB2 ALA 59 HB2 ALA 59 0.475 4.853 -4.429 470 HB3 ALA 59 HB3 ALA 59 -1.010 5.779 -4.221 471 H THR 60 HN THR 60 -0.728 2.877 -7.782 472 HA THR 60 HA THR 60 1.970 3.028 -8.561 473 HB THR 60 HB THR 60 -0.301 1.955 -10.247 474 HG1 THR 60 HG1 THR 60 -0.571 0.800 -8.443 475 HG21 THR 60 HG21 THR 60 2.627 1.216 -10.084 476 HG22 THR 60 HG22 THR 60 1.841 2.071 -11.411 477 HG23 THR 60 HG23 THR 60 1.419 0.392 -11.072 478 H GLU 61 HN GLU 61 -0.910 4.605 -9.718 479 HA GLU 61 HA GLU 61 -0.037 5.597 -12.177 480 HB2 GLU 61 HB2 GLU 61 -1.800 7.364 -11.791 481 HB3 GLU 61 HB1 GLU 61 -2.357 5.703 -11.642 482 HG2 GLU 61 HG2 GLU 61 -2.294 5.845 -9.238 483 HG3 GLU 61 HG1 GLU 61 -1.592 7.458 -9.320 484 H ASN 62 HN ASN 62 0.616 6.703 -8.930 485 HA ASN 62 HA ASN 62 1.753 9.205 -9.906 486 HB2 ASN 62 HB2 ASN 62 0.396 8.645 -7.616 487 HB3 ASN 62 HB1 ASN 62 2.059 8.520 -7.051 488 HD21 ASN 62 HD21 ASN 62 -0.218 10.526 -6.729 489 HD22 ASN 62 HD22 ASN 62 0.551 12.050 -7.021 490 H PHE 63 HN PHE 63 2.719 6.093 -8.703 491 HA PHE 63 HA PHE 63 5.387 6.612 -8.045 492 HB2 PHE 63 HB2 PHE 63 3.939 4.467 -7.746 493 HB3 PHE 63 HB1 PHE 63 4.535 4.040 -9.346 494 HD1 PHE 63 HD2 PHE 63 5.457 4.607 -5.839 495 HD2 PHE 63 HD1 PHE 63 6.819 3.385 -9.682 496 HE1 PHE 63 HE2 PHE 63 7.499 3.688 -4.817 497 HE2 PHE 63 HE1 PHE 63 8.861 2.460 -8.669 498 HZ PHE 63 HZ PHE 63 9.203 2.611 -6.234 499 H GLU 64 HN GLU 64 3.905 5.671 -11.120 500 HA GLU 64 HA GLU 64 6.407 5.786 -12.544 501 HB2 GLU 64 HB2 GLU 64 4.911 5.448 -14.552 502 HB3 GLU 64 HB1 GLU 64 4.836 4.184 -13.333 503 HG2 GLU 64 HG2 GLU 64 2.758 5.057 -12.489 504 HG3 GLU 64 HG1 GLU 64 2.856 6.436 -13.582 505 H ASP 65 HN ASP 65 3.783 7.935 -11.829 506 HA ASP 65 HA ASP 65 4.152 9.799 -13.920 507 HB2 ASP 65 HB2 ASP 65 2.122 9.752 -12.521 508 HB3 ASP 65 HB1 ASP 65 3.072 10.259 -11.129 509 H VAL 66 HN VAL 66 5.334 9.727 -10.580 510 HA VAL 66 HA VAL 66 6.936 12.067 -10.862 511 HB VAL 66 HB VAL 66 7.033 9.853 -8.809 512 HG11 VAL 66 HG11 VAL 66 9.181 11.126 -9.054 513 HG12 VAL 66 HG12 VAL 66 8.425 11.247 -7.467 514 HG13 VAL 66 HG13 VAL 66 8.292 12.582 -8.608 515 HG21 VAL 66 HG21 VAL 66 4.934 11.144 -8.874 516 HG22 VAL 66 HG22 VAL 66 5.861 12.628 -8.647 517 HG23 VAL 66 HG23 VAL 66 5.835 11.401 -7.379 518 H GLY 67 HN GLY 67 7.651 8.591 -10.888 519 HA2 GLY 67 HA2 GLY 67 9.312 7.555 -12.191 520 HA3 GLY 67 HA1 GLY 67 10.027 9.135 -12.490 521 H HIS 68 HN HIS 68 9.979 6.366 -10.474 522 HA HIS 68 HA HIS 68 11.731 7.576 -8.487 523 HB2 HIS 68 HB2 HIS 68 10.345 4.906 -8.668 524 HB3 HIS 68 HB1 HIS 68 11.566 5.238 -7.445 525 HD1 HIS 68 HD1 HIS 68 8.320 6.907 -8.622 526 HD2 HIS 68 HD2 HIS 68 10.487 6.088 -5.171 527 HE1 HIS 68 HE1 HIS 68 6.956 7.814 -6.697 528 H SER 69 HN SER 69 13.812 6.873 -8.046 529 HA SER 69 HA SER 69 15.351 6.096 -10.285 530 HB2 SER 69 HB2 SER 69 16.163 6.113 -7.366 531 HB3 SER 69 HB1 SER 69 17.245 6.139 -8.762 532 HG SER 69 HG SER 69 15.670 8.171 -7.670 533 H THR 70 HN THR 70 16.807 4.223 -10.361 534 HA THR 70 HA THR 70 15.438 1.807 -10.280 535 HB THR 70 HB THR 70 18.426 1.888 -10.109 536 HG1 THR 70 HG1 THR 70 16.829 2.700 -12.333 537 HG21 THR 70 HG21 THR 70 16.432 0.300 -11.724 538 HG22 THR 70 HG22 THR 70 17.417 -0.286 -10.386 539 HG23 THR 70 HG23 THR 70 18.182 0.177 -11.905 540 H ASP 71 HN ASP 71 17.904 3.053 -8.018 541 HA ASP 71 HA ASP 71 17.857 0.822 -6.289 542 HB2 ASP 71 HB2 ASP 71 19.681 2.482 -6.275 543 HB3 ASP 71 HB1 ASP 71 18.569 3.689 -5.637 544 H ALA 72 HN ALA 72 15.940 3.737 -6.442 545 HA ALA 72 HA ALA 72 14.696 3.595 -3.935 546 HB1 ALA 72 HB1 ALA 72 13.550 4.739 -6.472 547 HB2 ALA 72 HB2 ALA 72 14.678 5.574 -5.410 548 HB3 ALA 72 HB3 ALA 72 13.074 5.138 -4.822 549 H ARG 73 HN ARG 73 13.595 2.392 -7.112 550 HA ARG 73 HA ARG 73 11.226 1.241 -6.053 551 HB2 ARG 73 HB2 ARG 73 11.120 0.014 -8.244 552 HB3 ARG 73 HB1 ARG 73 11.211 1.762 -8.366 553 HG2 ARG 73 HG2 ARG 73 12.837 1.440 -9.840 554 HG3 ARG 73 HG1 ARG 73 13.852 0.967 -8.475 555 HD2 ARG 73 HD2 ARG 73 13.931 -0.718 -10.233 556 HD3 ARG 73 HD1 ARG 73 13.178 -1.363 -8.776 557 HE ARG 73 HE ARG 73 11.411 -0.327 -10.848 558 HH11 ARG 73 HH11 ARG 73 12.920 -3.137 -9.316 559 HH12 ARG 73 HH12 ARG 73 11.639 -4.267 -9.922 560 HH21 ARG 73 HH21 ARG 73 9.794 -1.743 -11.607 561 HH22 ARG 73 HH22 ARG 73 9.912 -3.493 -11.192 562 H GLU 74 HN GLU 74 14.503 0.110 -6.276 563 HA GLU 74 HA GLU 74 13.864 -2.664 -5.887 564 HB2 GLU 74 HB2 GLU 74 16.452 -1.122 -5.605 565 HB3 GLU 74 HB1 GLU 74 16.327 -2.856 -5.354 566 HG2 GLU 74 HG2 GLU 74 15.796 -1.367 -7.914 567 HG3 GLU 74 HG1 GLU 74 17.162 -2.424 -7.558 568 H LEU 75 HN LEU 75 14.313 0.105 -3.885 569 HA LEU 75 HA LEU 75 14.900 -1.251 -1.451 570 HB2 LEU 75 HB2 LEU 75 15.408 1.139 -1.849 571 HB3 LEU 75 HB1 LEU 75 13.690 1.484 -1.869 572 HG LEU 75 HG LEU 75 13.640 0.545 0.514 573 HD11 LEU 75 HD11 LEU 75 15.708 0.571 1.743 574 HD12 LEU 75 HD12 LEU 75 16.599 1.061 0.303 575 HD13 LEU 75 HD13 LEU 75 15.856 -0.535 0.383 576 HD21 LEU 75 HD21 LEU 75 14.338 2.687 1.453 577 HD22 LEU 75 HD22 LEU 75 13.401 2.912 -0.022 578 HD23 LEU 75 HD23 LEU 75 15.155 3.091 -0.055 579 H SER 76 HN SER 76 11.946 -0.185 -3.040 580 HA SER 76 HA SER 76 10.156 -0.619 -0.933 581 HB2 SER 76 HB2 SER 76 8.786 -1.225 -3.314 582 HB3 SER 76 HB1 SER 76 8.840 0.325 -2.479 583 HG SER 76 HG SER 76 10.546 -0.598 -4.554 584 H LYS 77 HN LYS 77 11.829 -2.866 -2.921 585 HA LYS 77 HA LYS 77 10.011 -5.024 -2.816 586 HB2 LYS 77 HB2 LYS 77 12.142 -4.676 -4.278 587 HB3 LYS 77 HB1 LYS 77 12.977 -5.430 -2.927 588 HG2 LYS 77 HG2 LYS 77 10.922 -7.160 -3.297 589 HG3 LYS 77 HG1 LYS 77 11.208 -6.607 -4.947 590 HD2 LYS 77 HD2 LYS 77 13.639 -7.136 -4.599 591 HD3 LYS 77 HD1 LYS 77 13.190 -7.880 -3.065 592 HE2 LYS 77 HE2 LYS 77 11.657 -9.384 -4.313 593 HE3 LYS 77 HE1 LYS 77 12.276 -8.699 -5.817 594 HZ1 LYS 77 HZ1 LYS 77 13.403 -10.750 -5.292 595 HZ2 LYS 77 HZ2 LYS 77 13.864 -10.165 -3.779 596 HZ3 LYS 77 HZ3 LYS 77 14.498 -9.465 -5.182 597 H THR 78 HN THR 78 12.105 -3.679 -0.434 598 HA THR 78 HA THR 78 12.130 -6.129 1.139 599 HB THR 78 HB THR 78 14.092 -4.415 0.914 600 HG1 THR 78 HG1 THR 78 13.530 -5.189 3.572 601 HG21 THR 78 HG21 THR 78 12.852 -2.428 1.591 602 HG22 THR 78 HG22 THR 78 14.158 -2.765 2.729 603 HG23 THR 78 HG23 THR 78 12.493 -3.171 3.152 604 H PHE 79 HN PHE 79 9.920 -3.815 0.574 605 HA PHE 79 HA PHE 79 8.894 -3.831 3.337 606 HB2 PHE 79 HB2 PHE 79 8.505 -1.828 1.109 607 HB3 PHE 79 HB1 PHE 79 7.551 -1.821 2.585 608 HD1 PHE 79 HD2 PHE 79 9.237 -2.106 4.764 609 HD2 PHE 79 HD1 PHE 79 10.132 -0.233 1.053 610 HE1 PHE 79 HE2 PHE 79 10.960 -0.748 5.873 611 HE2 PHE 79 HE1 PHE 79 11.859 1.132 2.155 612 HZ PHE 79 HZ PHE 79 12.272 0.878 4.569 613 H ILE 80 HN ILE 80 8.536 -5.643 0.792 614 HA ILE 80 HA ILE 80 5.681 -5.455 0.362 615 HB ILE 80 HB ILE 80 7.092 -6.093 -1.522 616 HG12 ILE 80 HG12 ILE 80 5.951 -8.385 -2.016 617 HG13 ILE 80 HG11 ILE 80 5.113 -8.101 -0.494 618 HG21 ILE 80 HG21 ILE 80 8.902 -7.207 -0.410 619 HG22 ILE 80 HG22 ILE 80 8.187 -8.317 -1.579 620 HG23 ILE 80 HG23 ILE 80 7.832 -8.495 0.139 621 HD11 ILE 80 HD11 ILE 80 3.770 -7.366 -2.357 622 HD12 ILE 80 HD12 ILE 80 5.068 -6.311 -2.907 623 HD13 ILE 80 HD13 ILE 80 4.259 -5.984 -1.377 624 H ILE 81 HN ILE 81 4.165 -6.489 1.516 625 HA ILE 81 HA ILE 81 5.052 -8.753 3.180 626 HB ILE 81 HB ILE 81 3.494 -8.187 4.907 627 HG12 ILE 81 HG12 ILE 81 1.831 -7.131 3.208 628 HG13 ILE 81 HG11 ILE 81 1.889 -6.505 4.851 629 HG21 ILE 81 HG21 ILE 81 5.620 -7.151 5.152 630 HG22 ILE 81 HG22 ILE 81 4.398 -5.971 5.625 631 HG23 ILE 81 HG23 ILE 81 5.176 -5.848 4.050 632 HD11 ILE 81 HD11 ILE 81 3.022 -5.274 2.361 633 HD12 ILE 81 HD12 ILE 81 3.422 -4.712 3.982 634 HD13 ILE 81 HD13 ILE 81 1.754 -4.647 3.416 635 H GLY 82 HN GLY 82 2.920 -7.732 0.736 636 HA2 GLY 82 HA2 GLY 82 1.896 -10.321 0.382 637 HA3 GLY 82 HA1 GLY 82 0.710 -9.371 1.259 638 H GLU 83 HN GLU 83 -0.521 -9.977 -0.702 639 HA GLU 83 HA GLU 83 -0.255 -7.863 -2.708 640 HB2 GLU 83 HB2 GLU 83 0.393 -10.545 -3.196 641 HB3 GLU 83 HB1 GLU 83 -1.207 -10.330 -3.894 642 HG2 GLU 83 HG2 GLU 83 -0.420 -8.505 -5.250 643 HG3 GLU 83 HG1 GLU 83 1.165 -8.577 -4.482 644 H LEU 84 HN LEU 84 -2.312 -7.805 -4.096 645 HA LEU 84 HA LEU 84 -4.567 -7.788 -2.289 646 HB2 LEU 84 HB2 LEU 84 -3.853 -6.538 -4.821 647 HB3 LEU 84 HB1 LEU 84 -5.506 -7.128 -4.819 648 HG LEU 84 HG LEU 84 -5.360 -4.766 -4.149 649 HD11 LEU 84 HD11 LEU 84 -6.704 -4.906 -2.133 650 HD12 LEU 84 HD12 LEU 84 -6.194 -6.576 -1.886 651 HD13 LEU 84 HD13 LEU 84 -7.183 -6.154 -3.286 652 HD21 LEU 84 HD21 LEU 84 -3.169 -4.764 -3.134 653 HD22 LEU 84 HD22 LEU 84 -3.736 -5.828 -1.847 654 HD23 LEU 84 HD23 LEU 84 -4.368 -4.187 -1.974 655 H HIS 85 HN HIS 85 -6.476 -8.904 -2.558 656 HA HIS 85 HA HIS 85 -6.325 -11.575 -3.351 657 HB2 HIS 85 HB2 HIS 85 -8.241 -9.853 -2.138 658 HB3 HIS 85 HB1 HIS 85 -9.047 -10.697 -3.456 659 HD1 HIS 85 HD1 HIS 85 -10.001 -12.892 -2.840 660 HD2 HIS 85 HD2 HIS 85 -6.822 -11.813 -0.370 661 HE1 HIS 85 HE1 HIS 85 -9.852 -14.690 -1.090 662 HE2 HIS 85 HE2 HIS 85 -7.804 -14.118 0.264 663 HA PRO 86 HA PRO 86 -6.905 -11.543 -7.748 664 HB2 PRO 86 HB2 PRO 86 -8.470 -13.799 -8.017 665 HB3 PRO 86 HB1 PRO 86 -6.712 -13.823 -7.837 666 HG2 PRO 86 HG2 PRO 86 -8.815 -14.265 -5.776 667 HG3 PRO 86 HG1 PRO 86 -7.274 -15.110 -6.010 668 HD2 PRO 86 HD2 PRO 86 -7.565 -13.263 -4.102 669 HD3 PRO 86 HD1 PRO 86 -6.043 -13.431 -5.003 670 H ASP 87 HN ASP 87 -9.662 -11.961 -5.620 671 HA ASP 87 HA ASP 87 -11.701 -11.416 -7.505 672 HB2 ASP 87 HB2 ASP 87 -11.902 -10.786 -4.562 673 HB3 ASP 87 HB1 ASP 87 -13.183 -11.288 -5.659 674 H ASP 88 HN ASP 88 -9.583 -9.426 -5.619 675 HA ASP 88 HA ASP 88 -11.047 -6.996 -6.358 676 HB2 ASP 88 HB2 ASP 88 -8.737 -7.384 -4.434 677 HB3 ASP 88 HB1 ASP 88 -9.562 -5.861 -4.735 678 H ARG 89 HN ARG 89 -9.171 -8.803 -8.003 679 HA ARG 89 HA ARG 89 -7.437 -6.623 -8.956 680 HB2 ARG 89 HB2 ARG 89 -6.320 -8.615 -7.749 681 HB3 ARG 89 HB1 ARG 89 -6.702 -9.527 -9.202 682 HG2 ARG 89 HG2 ARG 89 -5.462 -7.760 -10.500 683 HG3 ARG 89 HG1 ARG 89 -4.908 -7.131 -8.947 684 HD2 ARG 89 HD2 ARG 89 -4.434 -9.893 -10.049 685 HD3 ARG 89 HD1 ARG 89 -3.244 -8.604 -9.887 686 HE ARG 89 HE ARG 89 -4.520 -9.395 -7.418 687 HH11 ARG 89 HH11 ARG 89 -1.842 -9.877 -9.643 688 HH12 ARG 89 HH12 ARG 89 -0.785 -10.627 -8.388 689 HH21 ARG 89 HH21 ARG 89 -3.212 -10.330 -5.785 690 HH22 ARG 89 HH22 ARG 89 -1.536 -10.876 -6.227 691 H SER 90 HN SER 90 -8.519 -9.848 -10.056 692 HA SER 90 HA SER 90 -9.113 -8.632 -12.671 693 HB2 SER 90 HB2 SER 90 -8.943 -11.518 -12.740 694 HB3 SER 90 HB1 SER 90 -7.993 -10.326 -13.628 695 HG SER 90 HG SER 90 -6.424 -10.520 -12.223 696 H LYS 91 HN LYS 91 -11.043 -8.338 -10.781 697 HA LYS 91 HA LYS 91 -13.207 -9.853 -11.924 698 HB2 LYS 91 HB2 LYS 91 -12.230 -11.253 -9.997 699 HB3 LYS 91 HB1 LYS 91 -12.904 -10.028 -8.933 700 HG2 LYS 91 HG2 LYS 91 -15.137 -10.477 -9.877 701 HG3 LYS 91 HG1 LYS 91 -14.430 -11.762 -10.859 702 HD2 LYS 91 HD2 LYS 91 -14.347 -11.657 -7.844 703 HD3 LYS 91 HD1 LYS 91 -15.507 -12.592 -8.785 704 HE2 LYS 91 HE2 LYS 91 -12.970 -13.258 -9.784 705 HE3 LYS 91 HE1 LYS 91 -12.820 -13.259 -8.029 706 HZ1 LYS 91 HZ1 LYS 91 -14.872 -14.740 -9.575 707 HZ2 LYS 91 HZ2 LYS 91 -14.685 -14.768 -7.899 708 HZ3 LYS 91 HZ3 LYS 91 -13.483 -15.420 -8.897 709 H LEU 92 HN LEU 92 -12.786 -8.158 -8.825 710 HA LEU 92 HA LEU 92 -13.729 -6.298 -7.947 711 HB2 LEU 92 HB2 LEU 92 -13.552 -5.623 -10.833 712 HB3 LEU 92 HB1 LEU 92 -14.583 -4.612 -9.844 713 HG LEU 92 HG LEU 92 -12.432 -3.570 -10.008 714 HD11 LEU 92 HD11 LEU 92 -11.893 -3.257 -7.724 715 HD12 LEU 92 HD12 LEU 92 -12.540 -4.835 -7.284 716 HD13 LEU 92 HD13 LEU 92 -13.632 -3.552 -7.805 717 HD21 LEU 92 HD21 LEU 92 -11.290 -6.166 -8.980 718 HD22 LEU 92 HD22 LEU 92 -10.385 -4.671 -9.224 719 HD23 LEU 92 HD23 LEU 92 -11.096 -5.505 -10.607 720 H SER 93 HN SER 93 -15.355 -8.633 -8.600 721 HA SER 93 HA SER 93 -17.981 -7.420 -9.050 722 HB2 SER 93 HB2 SER 93 -17.240 -10.355 -8.947 723 HB3 SER 93 HB1 SER 93 -18.782 -9.679 -9.472 724 HG SER 93 HG SER 93 -17.498 -8.551 -11.125 725 H LYS 94 HN LYS 94 -17.162 -6.590 -6.750 726 HA LYS 94 HA LYS 94 -18.533 -8.267 -4.757 727 HB2 LYS 94 HB2 LYS 94 -15.967 -6.706 -4.458 728 HB3 LYS 94 HB1 LYS 94 -16.925 -7.220 -3.078 729 HG2 LYS 94 HG2 LYS 94 -16.508 -9.491 -3.487 730 HG3 LYS 94 HG1 LYS 94 -15.949 -9.175 -5.132 731 HD2 LYS 94 HD2 LYS 94 -14.067 -9.674 -3.664 732 HD3 LYS 94 HD1 LYS 94 -13.989 -8.005 -4.229 733 HE2 LYS 94 HE2 LYS 94 -15.049 -7.304 -2.083 734 HE3 LYS 94 HE1 LYS 94 -14.914 -8.971 -1.526 735 HZ1 LYS 94 HZ1 LYS 94 -13.075 -7.515 -0.773 736 HZ2 LYS 94 HZ2 LYS 94 -12.608 -7.307 -2.396 737 HZ3 LYS 94 HZ3 LYS 94 -12.546 -8.840 -1.685 738 HA PRO 95 HA PRO 95 -21.112 -4.608 -4.546 739 HB2 PRO 95 HB2 PRO 95 -21.990 -5.917 -2.024 740 HB3 PRO 95 HB1 PRO 95 -22.954 -5.354 -3.398 741 HG2 PRO 95 HG2 PRO 95 -22.561 -7.944 -3.037 742 HG3 PRO 95 HG1 PRO 95 -22.516 -7.239 -4.666 743 HD2 PRO 95 HD2 PRO 95 -20.242 -8.061 -2.904 744 HD3 PRO 95 HD1 PRO 95 -20.456 -8.291 -4.653 745 H MET 96 HN MET 96 -20.618 -2.688 -3.750 746 HA MET 96 HA MET 96 -18.695 -2.407 -1.631 747 HB2 MET 96 HB2 MET 96 -18.684 -0.938 -3.615 748 HB3 MET 96 HB1 MET 96 -20.248 -0.293 -3.137 749 HG2 MET 96 HG2 MET 96 -19.279 0.636 -1.122 750 HG3 MET 96 HG1 MET 96 -17.718 -0.077 -1.524 751 HE1 MET 96 HE1 MET 96 -19.706 3.249 -4.040 752 HE2 MET 96 HE2 MET 96 -20.473 2.482 -2.649 753 HE3 MET 96 HE3 MET 96 -20.204 1.561 -4.128 754 H GLU 97 HN GLU 97 -21.951 -1.030 -2.097 755 HA GLU 97 HA GLU 97 -23.603 -0.461 -0.657 756 HB2 GLU 97 HB2 GLU 97 -23.713 -2.818 -0.158 757 HB3 GLU 97 HB1 GLU 97 -22.360 -2.693 0.955 758 HG2 GLU 97 HG2 GLU 97 -23.782 -1.171 2.356 759 HG3 GLU 97 HG1 GLU 97 -25.137 -1.601 1.310 760 H THR 98 HN THR 98 -22.972 1.638 -0.196 761 HA THR 98 HA THR 98 -22.350 2.157 2.531 762 HB THR 98 HB THR 98 -20.064 1.654 1.626 763 HG1 THR 98 HG1 THR 98 -19.673 2.918 3.266 764 HG21 THR 98 HG21 THR 98 -20.650 4.096 -0.041 765 HG22 THR 98 HG22 THR 98 -20.149 2.498 -0.588 766 HG23 THR 98 HG23 THR 98 -19.014 3.521 0.289 767 H LEU 99 HN LEU 99 -21.746 4.683 2.670 768 HA LEU 99 HA LEU 99 -22.541 6.796 2.528 769 HB2 LEU 99 HB2 LEU 99 -22.938 6.002 -0.354 770 HB3 LEU 99 HB1 LEU 99 -23.152 7.634 0.247 771 HG LEU 99 HG LEU 99 -20.568 6.074 0.323 772 HD11 LEU 99 HD11 LEU 99 -21.219 6.717 -1.940 773 HD12 LEU 99 HD12 LEU 99 -19.813 7.627 -1.386 774 HD13 LEU 99 HD13 LEU 99 -21.404 8.389 -1.412 775 HD21 LEU 99 HD21 LEU 99 -20.585 7.566 2.165 776 HD22 LEU 99 HD22 LEU 99 -21.281 8.864 1.194 777 HD23 LEU 99 HD23 LEU 99 -19.623 8.334 0.902 778 H ILE 100 HN ILE 100 -24.315 4.838 3.458 779 HA ILE 100 HA ILE 100 -26.909 5.747 2.417 780 HB ILE 100 HB ILE 100 -27.801 3.788 3.809 781 HG12 ILE 100 HG12 ILE 100 -24.901 2.942 3.636 782 HG13 ILE 100 HG11 ILE 100 -25.707 3.457 5.115 783 HG21 ILE 100 HG21 ILE 100 -26.056 3.240 1.413 784 HG22 ILE 100 HG22 ILE 100 -27.733 3.782 1.381 785 HG23 ILE 100 HG23 ILE 100 -27.337 2.186 2.017 786 HD11 ILE 100 HD11 ILE 100 -25.463 0.968 4.739 787 HD12 ILE 100 HD12 ILE 100 -26.687 1.141 3.481 788 HD13 ILE 100 HD13 ILE 100 -27.075 1.554 5.151 789 H THR 101 HN THR 101 -24.860 6.725 4.640 790 HA THR 101 HA THR 101 -26.936 7.291 6.648 791 HB THR 101 HB THR 101 -24.087 7.555 7.423 792 HG1 THR 101 HG1 THR 101 -25.224 4.965 7.484 793 HG21 THR 101 HG21 THR 101 -24.954 6.599 9.517 794 HG22 THR 101 HG22 THR 101 -26.531 6.372 8.757 795 HG23 THR 101 HG23 THR 101 -25.897 8.001 9.004 796 H THR 102 HN THR 102 -27.425 9.387 6.958 797 HA THR 102 HA THR 102 -25.911 11.379 5.480 798 HB THR 102 HB THR 102 -27.851 12.867 6.476 799 HG1 THR 102 HG1 THR 102 -29.496 11.770 7.289 800 HG21 THR 102 HG21 THR 102 -27.598 12.420 4.113 801 HG22 THR 102 HG22 THR 102 -29.285 12.175 4.568 802 HG23 THR 102 HG23 THR 102 -28.228 10.785 4.318 803 H VAL 103 HN VAL 103 -24.038 11.622 6.666 804 HA VAL 103 HA VAL 103 -24.307 12.556 9.436 805 HB VAL 103 HB VAL 103 -21.832 12.270 9.562 806 HG11 VAL 103 HG11 VAL 103 -23.390 9.832 8.710 807 HG12 VAL 103 HG12 VAL 103 -23.308 10.504 10.338 808 HG13 VAL 103 HG13 VAL 103 -21.865 9.813 9.596 809 HG21 VAL 103 HG21 VAL 103 -20.703 10.999 7.785 810 HG22 VAL 103 HG22 VAL 103 -21.296 12.559 7.211 811 HG23 VAL 103 HG23 VAL 103 -22.174 11.082 6.812 812 H ASP 104 HN ASP 104 -24.813 14.081 6.881 813 HA ASP 104 HA ASP 104 -22.745 16.069 6.752 814 HB2 ASP 104 HB2 ASP 104 -24.301 17.217 5.186 815 HB3 ASP 104 HB1 ASP 104 -23.971 15.548 4.735 816 HHB HEM 400 HB HEM 400 11.215 4.958 -1.704 817 HHC HEM 400 HC HEM 400 4.999 5.341 -2.786 818 HHD HEM 400 HD HEM 400 5.728 11.260 -4.899 819 HMA HEM 400 HMA1 HEM 400 13.141 5.702 -1.093 820 HMAA HEM 400 HMA2 HEM 400 14.355 6.889 -1.499 821 HMAB HEM 400 HMA3 HEM 400 14.015 5.630 -2.659 822 HAA HEM 400 HAA1 HEM 400 14.449 9.315 -2.320 823 HAAA HEM 400 HAA2 HEM 400 13.844 9.979 -3.829 824 HBA HEM 400 HBA1 HEM 400 14.630 7.201 -4.155 825 HBAA HEM 400 HBA2 HEM 400 15.957 8.175 -3.528 826 HMB HEM 400 HMB1 HEM 400 9.670 2.338 -1.879 827 HMBA HEM 400 HMB2 HEM 400 8.734 2.547 -0.395 828 HMBB HEM 400 HMB3 HEM 400 10.262 3.402 -0.617 829 HAB HEM 400 HAB HEM 400 6.530 2.234 -1.845 830 HBB HEM 400 HBB1 HEM 400 4.742 4.608 -0.878 831 HBBA HEM 400 HBB2 HEM 400 4.331 2.731 -0.927 832 HMC HEM 400 HMC1 HEM 400 2.255 7.394 -4.303 833 HMCA HEM 400 HMC2 HEM 400 2.674 6.936 -2.649 834 HMCB HEM 400 HMC3 HEM 400 3.173 5.928 -4.012 835 HAC HEM 400 HAC HEM 400 3.496 10.541 -5.405 836 HBC HEM 400 HBC1 HEM 400 1.895 9.285 -3.028 837 HBCA HEM 400 HBC2 HEM 400 1.342 10.647 -4.262 838 HMD HEM 400 HMD1 HEM 400 6.852 13.531 -4.691 839 HMDA HEM 400 HMD2 HEM 400 7.044 12.968 -6.355 840 HMDB HEM 400 HMD3 HEM 400 8.251 14.030 -5.624 841 HAD HEM 400 HAD1 HEM 400 10.397 13.878 -4.614 842 HADA HEM 400 HAD2 HEM 400 11.635 12.641 -4.747 843 HBD HEM 400 HBD1 HEM 400 9.997 12.747 -7.147 844 HBDA HEM 400 HBD2 HEM 400 11.748 12.879 -6.978 845 HHA HEM 400 HA HEM 400 12.006 10.744 -4.141 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 20.459 -14.991 17.101 2 H2 MET 1 HT2 MET 1 21.709 -14.384 18.062 3 H3 MET 1 HT3 MET 1 21.391 -13.695 16.551 4 HA MET 1 HA MET 1 19.624 -13.638 18.927 5 HB2 MET 1 HB2 MET 1 21.773 -11.982 18.221 6 HB3 MET 1 HB1 MET 1 20.338 -11.080 17.752 7 HG2 MET 1 HG2 MET 1 19.465 -11.185 19.974 8 HG3 MET 1 HG1 MET 1 20.750 -12.279 20.477 9 HE1 MET 1 HE1 MET 1 23.044 -11.617 21.218 10 HE2 MET 1 HE2 MET 1 23.837 -10.085 20.845 11 HE3 MET 1 HE3 MET 1 23.438 -11.209 19.548 12 H ALA 2 HN ALA 2 18.360 -11.219 18.050 13 HA ALA 2 HA ALA 2 16.409 -12.372 16.300 14 HB1 ALA 2 HB1 ALA 2 15.881 -10.825 18.184 15 HB2 ALA 2 HB2 ALA 2 15.150 -10.377 16.640 16 HB3 ALA 2 HB3 ALA 2 16.573 -9.515 17.227 17 H ALA 3 HN ALA 3 17.554 -12.753 14.375 18 HA ALA 3 HA ALA 3 17.735 -10.389 12.671 19 HB1 ALA 3 HB1 ALA 3 20.005 -10.728 13.487 20 HB2 ALA 3 HB2 ALA 3 19.898 -11.077 11.762 21 HB3 ALA 3 HB3 ALA 3 19.966 -12.398 12.926 22 H GLN 4 HN GLN 4 15.939 -11.050 11.589 23 HA GLN 4 HA GLN 4 16.116 -13.612 10.145 24 HB2 GLN 4 HB2 GLN 4 13.590 -13.327 9.909 25 HB3 GLN 4 HB1 GLN 4 14.195 -13.717 11.512 26 HG2 GLN 4 HG2 GLN 4 13.966 -10.850 10.964 27 HG3 GLN 4 HG1 GLN 4 12.438 -11.727 10.949 28 HE21 GLN 4 HE21 GLN 4 11.786 -10.613 12.817 29 HE22 GLN 4 HE22 GLN 4 12.402 -11.026 14.378 30 H SER 5 HN SER 5 15.433 -13.666 7.945 31 HA SER 5 HA SER 5 15.210 -11.055 6.611 32 HB2 SER 5 HB2 SER 5 16.955 -13.283 5.544 33 HB3 SER 5 HB1 SER 5 16.863 -11.617 4.974 34 HG SER 5 HG SER 5 17.510 -11.301 7.412 35 H ASP 6 HN ASP 6 13.181 -12.949 7.255 36 HA ASP 6 HA ASP 6 12.587 -14.508 4.903 37 HB2 ASP 6 HB2 ASP 6 10.650 -13.896 7.127 38 HB3 ASP 6 HB1 ASP 6 10.695 -15.305 6.072 39 H LYS 7 HN LYS 7 10.578 -14.315 3.732 40 HA LYS 7 HA LYS 7 9.254 -11.745 3.712 41 HB2 LYS 7 HB2 LYS 7 11.189 -12.577 1.624 42 HB3 LYS 7 HB1 LYS 7 9.682 -11.871 1.058 43 HG2 LYS 7 HG2 LYS 7 11.509 -10.566 3.060 44 HG3 LYS 7 HG1 LYS 7 11.540 -10.247 1.323 45 HD2 LYS 7 HD2 LYS 7 9.577 -9.083 1.366 46 HD3 LYS 7 HD1 LYS 7 8.920 -10.025 2.704 47 HE2 LYS 7 HE2 LYS 7 11.175 -8.061 3.032 48 HE3 LYS 7 HE1 LYS 7 9.481 -7.609 3.208 49 HZ1 LYS 7 HZ1 LYS 7 10.740 -9.790 4.779 50 HZ2 LYS 7 HZ2 LYS 7 9.246 -9.042 5.053 51 HZ3 LYS 7 HZ3 LYS 7 10.681 -8.183 5.312 52 H ASP 8 HN ASP 8 7.346 -12.696 4.112 53 HA ASP 8 HA ASP 8 6.433 -14.910 2.439 54 HB2 ASP 8 HB2 ASP 8 6.100 -14.444 5.089 55 HB3 ASP 8 HB1 ASP 8 4.621 -13.722 4.467 56 H VAL 9 HN VAL 9 4.112 -14.732 1.658 57 HA VAL 9 HA VAL 9 3.471 -11.982 0.872 58 HB VAL 9 HB VAL 9 4.560 -12.845 -1.067 59 HG11 VAL 9 HG11 VAL 9 2.740 -15.240 -0.893 60 HG12 VAL 9 HG12 VAL 9 4.481 -15.218 -0.625 61 HG13 VAL 9 HG13 VAL 9 3.834 -14.888 -2.231 62 HG21 VAL 9 HG21 VAL 9 2.566 -11.521 -1.499 63 HG22 VAL 9 HG22 VAL 9 1.576 -12.981 -1.477 64 HG23 VAL 9 HG23 VAL 9 2.782 -12.753 -2.744 65 H LYS 10 HN LYS 10 1.769 -11.772 2.196 66 HA LYS 10 HA LYS 10 -0.332 -13.804 2.161 67 HB2 LYS 10 HB2 LYS 10 -0.043 -11.328 3.876 68 HB3 LYS 10 HB1 LYS 10 -1.262 -12.579 4.071 69 HG2 LYS 10 HG2 LYS 10 0.408 -14.192 4.690 70 HG3 LYS 10 HG1 LYS 10 1.702 -13.050 4.323 71 HD2 LYS 10 HD2 LYS 10 1.382 -13.120 6.711 72 HD3 LYS 10 HD1 LYS 10 0.824 -11.563 6.100 73 HE2 LYS 10 HE2 LYS 10 -1.469 -12.253 6.236 74 HE3 LYS 10 HE1 LYS 10 -0.996 -13.902 6.633 75 HZ1 LYS 10 HZ1 LYS 10 -0.194 -13.202 8.737 76 HZ2 LYS 10 HZ2 LYS 10 -1.731 -12.520 8.553 77 HZ3 LYS 10 HZ3 LYS 10 -0.355 -11.568 8.342 78 H TYR 11 HN TYR 11 -2.214 -13.510 1.112 79 HA TYR 11 HA TYR 11 -2.505 -11.075 -0.444 80 HB2 TYR 11 HB2 TYR 11 -3.728 -13.804 -0.536 81 HB3 TYR 11 HB1 TYR 11 -4.590 -12.462 -1.282 82 HD1 TYR 11 HD2 TYR 11 -1.570 -14.548 -1.418 83 HD2 TYR 11 HD1 TYR 11 -3.749 -11.398 -3.269 84 HE1 TYR 11 HE2 TYR 11 -0.152 -14.749 -3.417 85 HE2 TYR 11 HE1 TYR 11 -2.343 -11.592 -5.273 86 HH TYR 11 HH TYR 11 0.044 -12.434 -5.768 87 H TYR 12 HN TYR 12 -3.521 -9.418 0.381 88 HA TYR 12 HA TYR 12 -5.575 -9.859 2.425 89 HB2 TYR 12 HB2 TYR 12 -4.315 -7.225 1.643 90 HB3 TYR 12 HB1 TYR 12 -5.245 -7.578 3.092 91 HD1 TYR 12 HD2 TYR 12 -4.241 -9.125 4.829 92 HD2 TYR 12 HD1 TYR 12 -1.987 -7.541 1.585 93 HE1 TYR 12 HE2 TYR 12 -2.158 -9.638 6.031 94 HE2 TYR 12 HE1 TYR 12 0.100 -8.051 2.779 95 HH TYR 12 HH TYR 12 1.010 -9.117 4.531 96 H THR 13 HN THR 13 -7.627 -8.989 2.227 97 HA THR 13 HA THR 13 -8.519 -8.609 -0.495 98 HB THR 13 HB THR 13 -10.368 -8.180 1.809 99 HG1 THR 13 HG1 THR 13 -9.170 -9.960 2.544 100 HG21 THR 13 HG21 THR 13 -11.855 -9.547 0.395 101 HG22 THR 13 HG22 THR 13 -10.549 -9.742 -0.772 102 HG23 THR 13 HG23 THR 13 -11.231 -8.143 -0.472 103 H LEU 14 HN LEU 14 -9.808 -6.734 -1.155 104 HA LEU 14 HA LEU 14 -8.479 -4.330 -0.809 105 HB2 LEU 14 HB2 LEU 14 -10.009 -4.926 -2.677 106 HB3 LEU 14 HB1 LEU 14 -11.367 -4.668 -1.601 107 HG LEU 14 HG LEU 14 -10.753 -2.301 -1.378 108 HD11 LEU 14 HD11 LEU 14 -9.046 -1.346 -2.871 109 HD12 LEU 14 HD12 LEU 14 -8.579 -2.979 -3.357 110 HD13 LEU 14 HD13 LEU 14 -8.356 -2.457 -1.684 111 HD21 LEU 14 HD21 LEU 14 -11.390 -1.614 -3.617 112 HD22 LEU 14 HD22 LEU 14 -12.319 -3.026 -3.125 113 HD23 LEU 14 HD23 LEU 14 -10.972 -3.205 -4.246 114 H GLU 15 HN GLU 15 -11.406 -5.460 0.844 115 HA GLU 15 HA GLU 15 -11.816 -3.033 2.275 116 HB2 GLU 15 HB2 GLU 15 -13.284 -4.558 3.749 117 HB3 GLU 15 HB1 GLU 15 -13.746 -4.316 2.070 118 HG2 GLU 15 HG2 GLU 15 -12.009 -6.635 2.673 119 HG3 GLU 15 HG1 GLU 15 -13.681 -6.712 3.224 120 H GLU 16 HN GLU 16 -9.590 -5.563 2.730 121 HA GLU 16 HA GLU 16 -9.390 -5.220 5.601 122 HB2 GLU 16 HB2 GLU 16 -7.695 -6.830 3.688 123 HB3 GLU 16 HB1 GLU 16 -7.536 -6.849 5.439 124 HG2 GLU 16 HG2 GLU 16 -9.888 -7.649 5.569 125 HG3 GLU 16 HG1 GLU 16 -9.877 -7.792 3.812 126 H ILE 17 HN ILE 17 -7.516 -4.357 2.721 127 HA ILE 17 HA ILE 17 -5.344 -3.267 4.201 128 HB ILE 17 HB ILE 17 -4.660 -2.215 2.051 129 HG12 ILE 17 HG12 ILE 17 -6.143 -3.468 0.127 130 HG13 ILE 17 HG11 ILE 17 -7.383 -3.046 1.304 131 HG21 ILE 17 HG21 ILE 17 -4.162 -4.329 0.922 132 HG22 ILE 17 HG22 ILE 17 -5.344 -5.147 1.944 133 HG23 ILE 17 HG23 ILE 17 -3.899 -4.435 2.663 134 HD11 ILE 17 HD11 ILE 17 -7.060 -1.351 -0.460 135 HD12 ILE 17 HD12 ILE 17 -5.417 -1.098 0.133 136 HD13 ILE 17 HD13 ILE 17 -6.796 -0.729 1.168 137 H LYS 18 HN LYS 18 -8.313 -1.883 2.876 138 HA LYS 18 HA LYS 18 -7.507 0.811 3.525 139 HB2 LYS 18 HB2 LYS 18 -9.724 1.474 2.762 140 HB3 LYS 18 HB1 LYS 18 -8.959 0.402 1.600 141 HG2 LYS 18 HG2 LYS 18 -10.393 -1.353 2.071 142 HG3 LYS 18 HG1 LYS 18 -10.833 -0.697 3.649 143 HD2 LYS 18 HD2 LYS 18 -12.662 -0.471 2.033 144 HD3 LYS 18 HD1 LYS 18 -12.076 1.101 2.572 145 HE2 LYS 18 HE2 LYS 18 -10.612 0.264 0.252 146 HE3 LYS 18 HE1 LYS 18 -12.342 0.167 -0.070 147 HZ1 LYS 18 HZ1 LYS 18 -10.966 2.566 1.016 148 HZ2 LYS 18 HZ2 LYS 18 -12.588 2.455 0.563 149 HZ3 LYS 18 HZ3 LYS 18 -11.377 2.346 -0.609 150 H LYS 19 HN LYS 19 -8.078 -1.537 5.511 151 HA LYS 19 HA LYS 19 -9.678 0.073 7.389 152 HB2 LYS 19 HB2 LYS 19 -9.964 -2.630 6.583 153 HB3 LYS 19 HB1 LYS 19 -9.390 -2.651 8.243 154 HG2 LYS 19 HG2 LYS 19 -11.717 -2.675 8.414 155 HG3 LYS 19 HG1 LYS 19 -11.259 -1.004 8.746 156 HD2 LYS 19 HD2 LYS 19 -11.760 -0.438 6.389 157 HD3 LYS 19 HD1 LYS 19 -12.311 -2.095 6.137 158 HE2 LYS 19 HE2 LYS 19 -14.041 -1.786 7.831 159 HE3 LYS 19 HE1 LYS 19 -13.474 -0.145 8.118 160 HZ1 LYS 19 HZ1 LYS 19 -14.742 -1.204 5.660 161 HZ2 LYS 19 HZ2 LYS 19 -13.986 0.305 5.733 162 HZ3 LYS 19 HZ3 LYS 19 -15.337 -0.010 6.697 163 H HIS 20 HN HIS 20 -6.615 -0.726 6.616 164 HA HIS 20 HA HIS 20 -5.704 -0.951 9.405 165 HB2 HIS 20 HB2 HIS 20 -4.549 -1.839 6.793 166 HB3 HIS 20 HB1 HIS 20 -3.459 -1.472 8.125 167 HD1 HIS 20 HD1 HIS 20 -6.160 -3.894 7.103 168 HD2 HIS 20 HD2 HIS 20 -3.380 -3.348 10.152 169 HE1 HIS 20 HE1 HIS 20 -6.159 -6.037 8.418 170 HE2 HIS 20 HE2 HIS 20 -4.527 -5.661 10.295 171 H ASN 21 HN ASN 21 -6.009 1.226 6.877 172 HA ASN 21 HA ASN 21 -3.631 2.756 7.275 173 HB2 ASN 21 HB2 ASN 21 -4.799 4.478 5.889 174 HB3 ASN 21 HB1 ASN 21 -4.726 2.890 5.136 175 HD21 ASN 21 HD21 ASN 21 -6.511 4.877 4.351 176 HD22 ASN 21 HD22 ASN 21 -8.118 4.347 4.715 177 H HIS 22 HN HIS 22 -3.804 2.810 9.649 178 HA HIS 22 HA HIS 22 -5.556 5.004 10.534 179 HB2 HIS 22 HB2 HIS 22 -4.521 2.608 12.048 180 HB3 HIS 22 HB1 HIS 22 -5.227 4.005 12.852 181 HD1 HIS 22 HD1 HIS 22 -7.534 4.398 10.672 182 HD2 HIS 22 HD2 HIS 22 -6.589 0.877 12.672 183 HE1 HIS 22 HE1 HIS 22 -9.614 2.997 10.595 184 HE2 HIS 22 HE2 HIS 22 -9.073 0.947 11.949 185 H SER 23 HN SER 23 -2.574 3.538 11.898 186 HA SER 23 HA SER 23 -1.177 6.058 11.502 187 HB2 SER 23 HB2 SER 23 -1.305 4.986 14.308 188 HB3 SER 23 HB1 SER 23 -0.779 6.576 13.758 189 HG SER 23 HG SER 23 -3.142 6.624 12.968 190 H LYS 24 HN LYS 24 -1.016 2.868 13.092 191 HA LYS 24 HA LYS 24 1.842 2.789 12.390 192 HB2 LYS 24 HB2 LYS 24 2.076 1.096 14.186 193 HB3 LYS 24 HB1 LYS 24 1.531 2.657 14.778 194 HG2 LYS 24 HG2 LYS 24 -0.512 0.591 14.134 195 HG3 LYS 24 HG1 LYS 24 0.443 0.413 15.606 196 HD2 LYS 24 HD2 LYS 24 -0.608 3.113 15.208 197 HD3 LYS 24 HD1 LYS 24 -1.863 1.886 15.367 198 HE2 LYS 24 HE2 LYS 24 0.426 2.236 17.297 199 HE3 LYS 24 HE1 LYS 24 -1.176 2.939 17.519 200 HZ1 LYS 24 HZ1 LYS 24 -2.069 0.638 17.399 201 HZ2 LYS 24 HZ2 LYS 24 -1.088 0.929 18.742 202 HZ3 LYS 24 HZ3 LYS 24 -0.478 0.060 17.425 203 H SER 25 HN SER 25 -0.525 2.059 10.734 204 HA SER 25 HA SER 25 0.510 -0.486 9.793 205 HB2 SER 25 HB2 SER 25 -2.468 -0.252 10.211 206 HB3 SER 25 HB1 SER 25 -1.509 -1.702 9.914 207 HG SER 25 HG SER 25 -0.486 -1.091 12.037 208 H THR 26 HN THR 26 0.470 2.272 8.918 209 HA THR 26 HA THR 26 -1.468 2.709 6.909 210 HB THR 26 HB THR 26 1.295 3.906 6.934 211 HG1 THR 26 HG1 THR 26 0.751 4.409 8.953 212 HG21 THR 26 HG21 THR 26 0.077 5.898 6.124 213 HG22 THR 26 HG22 THR 26 -1.414 4.958 6.115 214 HG23 THR 26 HG23 THR 26 -0.086 4.518 5.042 215 H TRP 27 HN TRP 27 -1.689 1.248 5.332 216 HA TRP 27 HA TRP 27 0.698 0.272 3.936 217 HB2 TRP 27 HB2 TRP 27 -2.136 -0.783 4.051 218 HB3 TRP 27 HB1 TRP 27 -0.905 -1.423 2.967 219 HD1 TRP 27 HD1 TRP 27 1.194 -0.845 5.687 220 HE1 TRP 27 HE1 TRP 27 1.364 -2.819 7.320 221 HE3 TRP 27 HE3 TRP 27 -2.989 -3.410 4.257 222 HZ2 TRP 27 HZ2 TRP 27 -0.098 -5.176 7.918 223 HZ3 TRP 27 HZ3 TRP 27 -3.533 -5.516 5.407 224 HH2 TRP 27 HH2 TRP 27 -2.117 -6.380 7.200 225 H LEU 28 HN LEU 28 0.769 0.289 1.672 226 HA LEU 28 HA LEU 28 -1.163 2.051 0.323 227 HB2 LEU 28 HB2 LEU 28 1.501 2.716 0.952 228 HB3 LEU 28 HB1 LEU 28 1.496 2.350 -0.760 229 HG LEU 28 HG LEU 28 -0.475 4.279 0.434 230 HD11 LEU 28 HD11 LEU 28 1.641 5.162 1.069 231 HD12 LEU 28 HD12 LEU 28 1.105 6.056 -0.353 232 HD13 LEU 28 HD13 LEU 28 2.332 4.799 -0.510 233 HD21 LEU 28 HD21 LEU 28 -0.362 5.175 -1.903 234 HD22 LEU 28 HD22 LEU 28 -1.048 3.558 -1.758 235 HD23 LEU 28 HD23 LEU 28 0.609 3.766 -2.327 236 H ILE 29 HN ILE 29 -1.678 1.441 -1.758 237 HA ILE 29 HA ILE 29 -0.592 -1.146 -2.610 238 HB ILE 29 HB ILE 29 -2.812 0.266 -4.045 239 HG12 ILE 29 HG12 ILE 29 -3.256 -1.553 -1.676 240 HG13 ILE 29 HG11 ILE 29 -3.316 0.204 -1.565 241 HG21 ILE 29 HG21 ILE 29 -3.504 -2.015 -4.574 242 HG22 ILE 29 HG22 ILE 29 -2.185 -2.649 -3.588 243 HG23 ILE 29 HG23 ILE 29 -1.829 -1.729 -5.052 244 HD11 ILE 29 HD11 ILE 29 -5.112 -1.574 -3.194 245 HD12 ILE 29 HD12 ILE 29 -5.116 0.187 -3.273 246 HD13 ILE 29 HD13 ILE 29 -5.544 -0.629 -1.770 247 H LEU 30 HN LEU 30 1.007 -1.152 -4.002 248 HA LEU 30 HA LEU 30 1.103 0.929 -6.083 249 HB2 LEU 30 HB2 LEU 30 3.501 -0.204 -4.635 250 HB3 LEU 30 HB1 LEU 30 3.527 1.010 -5.899 251 HG LEU 30 HG LEU 30 2.209 1.428 -3.216 252 HD11 LEU 30 HD11 LEU 30 4.591 1.081 -2.901 253 HD12 LEU 30 HD12 LEU 30 4.174 2.779 -2.659 254 HD13 LEU 30 HD13 LEU 30 4.946 2.264 -4.160 255 HD21 LEU 30 HD21 LEU 30 3.033 3.385 -5.356 256 HD22 LEU 30 HD22 LEU 30 2.213 3.759 -3.840 257 HD23 LEU 30 HD23 LEU 30 1.385 2.820 -5.082 258 H HIS 31 HN HIS 31 0.849 0.010 -7.968 259 HA HIS 31 HA HIS 31 1.030 -1.405 -9.733 260 HB2 HIS 31 HB2 HIS 31 3.448 -2.140 -8.154 261 HB3 HIS 31 HB1 HIS 31 2.941 -3.248 -9.422 262 HD1 HIS 31 HD1 HIS 31 3.262 -2.501 -11.849 263 HD2 HIS 31 HD2 HIS 31 4.386 0.368 -9.054 264 HE1 HIS 31 HE1 HIS 31 4.538 -0.758 -13.141 265 HE2 HIS 31 HE2 HIS 31 5.281 0.926 -11.421 266 H HIS 32 HN HIS 32 -0.677 -1.878 -7.482 267 HA HIS 32 HA HIS 32 -2.282 -3.354 -6.876 268 HB2 HIS 32 HB2 HIS 32 -0.994 -5.122 -8.960 269 HB3 HIS 32 HB1 HIS 32 -2.441 -5.569 -8.063 270 HD1 HIS 32 HD1 HIS 32 -1.527 -4.218 -11.196 271 HD2 HIS 32 HD2 HIS 32 -4.496 -3.329 -8.420 272 HE1 HIS 32 HE1 HIS 32 -3.284 -2.941 -12.465 273 HE2 HIS 32 HE2 HIS 32 -4.972 -2.255 -10.727 274 H LYS 33 HN LYS 33 0.570 -3.299 -5.797 275 HA LYS 33 HA LYS 33 0.389 -5.810 -4.263 276 HB2 LYS 33 HB2 LYS 33 2.880 -4.202 -4.876 277 HB3 LYS 33 HB1 LYS 33 2.815 -5.689 -3.938 278 HG2 LYS 33 HG2 LYS 33 2.027 -6.889 -5.929 279 HG3 LYS 33 HG1 LYS 33 2.164 -5.399 -6.864 280 HD2 LYS 33 HD2 LYS 33 4.591 -5.336 -6.171 281 HD3 LYS 33 HD1 LYS 33 4.365 -6.974 -5.555 282 HE2 LYS 33 HE2 LYS 33 3.845 -6.110 -8.399 283 HE3 LYS 33 HE1 LYS 33 5.316 -6.904 -7.843 284 HZ1 LYS 33 HZ1 LYS 33 2.775 -8.039 -8.491 285 HZ2 LYS 33 HZ2 LYS 33 3.301 -8.531 -6.959 286 HZ3 LYS 33 HZ3 LYS 33 4.277 -8.792 -8.320 287 H VAL 34 HN VAL 34 0.880 -5.651 -1.989 288 HA VAL 34 HA VAL 34 0.190 -3.016 -0.915 289 HB VAL 34 HB VAL 34 0.259 -5.646 0.568 290 HG11 VAL 34 HG11 VAL 34 -1.162 -4.478 2.185 291 HG12 VAL 34 HG12 VAL 34 -1.077 -3.014 1.206 292 HG13 VAL 34 HG13 VAL 34 0.379 -3.645 1.975 293 HG21 VAL 34 HG21 VAL 34 -1.332 -5.759 -1.301 294 HG22 VAL 34 HG22 VAL 34 -2.112 -4.287 -0.719 295 HG23 VAL 34 HG23 VAL 34 -2.155 -5.754 0.259 296 H TYR 35 HN TYR 35 1.695 -1.777 -0.059 297 HA TYR 35 HA TYR 35 4.144 -3.047 0.990 298 HB2 TYR 35 HB2 TYR 35 3.807 -0.374 -0.382 299 HB3 TYR 35 HB1 TYR 35 5.290 -0.899 0.404 300 HD1 TYR 35 HD2 TYR 35 6.585 -2.787 -0.529 301 HD2 TYR 35 HD1 TYR 35 3.204 -1.188 -2.549 302 HE1 TYR 35 HE2 TYR 35 7.316 -3.880 -2.605 303 HE2 TYR 35 HE1 TYR 35 3.923 -2.281 -4.633 304 HH TYR 35 HH TYR 35 7.031 -3.913 -4.870 305 H ASP 36 HN ASP 36 4.728 -2.602 3.019 306 HA ASP 36 HA ASP 36 3.023 -0.812 4.589 307 HB2 ASP 36 HB2 ASP 36 3.424 -3.139 5.389 308 HB3 ASP 36 HB1 ASP 36 5.138 -2.778 5.518 309 H LEU 37 HN LEU 37 3.701 1.226 4.588 310 HA LEU 37 HA LEU 37 6.547 1.732 5.124 311 HB2 LEU 37 HB2 LEU 37 6.632 3.519 3.593 312 HB3 LEU 37 HB1 LEU 37 5.849 2.211 2.731 313 HG LEU 37 HG LEU 37 4.264 4.402 4.058 314 HD11 LEU 37 HD11 LEU 37 5.303 4.366 1.231 315 HD12 LEU 37 HD12 LEU 37 5.844 5.447 2.516 316 HD13 LEU 37 HD13 LEU 37 4.188 5.547 1.916 317 HD21 LEU 37 HD21 LEU 37 3.664 2.482 1.815 318 HD22 LEU 37 HD22 LEU 37 2.590 3.761 2.379 319 HD23 LEU 37 HD23 LEU 37 3.010 2.426 3.452 320 H THR 38 HN THR 38 4.258 1.499 6.884 321 HA THR 38 HA THR 38 3.217 3.993 7.644 322 HB THR 38 HB THR 38 2.425 1.626 8.298 323 HG1 THR 38 HG1 THR 38 2.500 3.761 10.201 324 HG21 THR 38 HG21 THR 38 4.257 2.136 10.639 325 HG22 THR 38 HG22 THR 38 4.582 0.964 9.358 326 HG23 THR 38 HG23 THR 38 3.175 0.761 10.407 327 H LYS 39 HN LYS 39 6.312 2.583 8.234 328 HA LYS 39 HA LYS 39 6.887 4.686 10.209 329 HB2 LYS 39 HB2 LYS 39 8.180 1.998 9.756 330 HB3 LYS 39 HB1 LYS 39 8.906 3.244 10.762 331 HG2 LYS 39 HG2 LYS 39 6.159 2.113 11.229 332 HG3 LYS 39 HG1 LYS 39 7.620 1.499 12.003 333 HD2 LYS 39 HD2 LYS 39 7.998 3.612 13.087 334 HD3 LYS 39 HD1 LYS 39 6.673 4.357 12.191 335 HE2 LYS 39 HE2 LYS 39 5.048 3.126 13.356 336 HE3 LYS 39 HE1 LYS 39 6.243 2.000 13.996 337 HZ1 LYS 39 HZ1 LYS 39 7.193 3.934 15.230 338 HZ2 LYS 39 HZ2 LYS 39 5.653 3.458 15.736 339 HZ3 LYS 39 HZ3 LYS 39 5.835 4.829 14.768 340 H PHE 40 HN PHE 40 6.973 4.410 7.098 341 HA PHE 40 HA PHE 40 9.679 5.543 6.792 342 HB2 PHE 40 HB2 PHE 40 8.888 3.289 5.605 343 HB3 PHE 40 HB1 PHE 40 8.227 4.433 4.443 344 HD1 PHE 40 HD1 PHE 40 11.366 3.516 6.196 345 HD2 PHE 40 HD2 PHE 40 9.578 5.319 2.782 346 HE1 PHE 40 HE1 PHE 40 13.581 3.697 5.136 347 HE2 PHE 40 HE2 PHE 40 11.786 5.502 1.714 348 HZ PHE 40 HZ PHE 40 13.788 4.687 2.893 349 H LEU 41 HN LEU 41 6.680 6.489 7.163 350 HA LEU 41 HA LEU 41 5.963 8.028 4.954 351 HB2 LEU 41 HB2 LEU 41 5.391 8.482 7.882 352 HB3 LEU 41 HB1 LEU 41 4.589 9.328 6.573 353 HG LEU 41 HG LEU 41 4.479 6.335 6.959 354 HD11 LEU 41 HD11 LEU 41 3.406 7.405 8.835 355 HD12 LEU 41 HD12 LEU 41 2.176 6.741 7.760 356 HD13 LEU 41 HD13 LEU 41 2.508 8.474 7.758 357 HD21 LEU 41 HD21 LEU 41 2.990 8.238 5.152 358 HD22 LEU 41 HD22 LEU 41 2.542 6.549 5.403 359 HD23 LEU 41 HD23 LEU 41 4.096 6.950 4.670 360 H GLU 42 HN GLU 42 7.716 9.056 7.885 361 HA GLU 42 HA GLU 42 8.276 11.634 6.686 362 HB2 GLU 42 HB2 GLU 42 9.413 12.107 8.845 363 HB3 GLU 42 HB1 GLU 42 7.733 11.627 9.025 364 HG2 GLU 42 HG2 GLU 42 8.446 9.364 9.619 365 HG3 GLU 42 HG1 GLU 42 10.130 9.863 9.461 366 H GLU 43 HN GLU 43 9.682 8.586 6.726 367 HA GLU 43 HA GLU 43 12.426 9.503 6.502 368 HB2 GLU 43 HB2 GLU 43 11.282 6.731 6.110 369 HB3 GLU 43 HB1 GLU 43 12.982 7.143 6.279 370 HG2 GLU 43 HG2 GLU 43 10.926 7.641 8.412 371 HG3 GLU 43 HG1 GLU 43 11.908 6.179 8.312 372 H HIS 44 HN HIS 44 9.871 9.606 4.581 373 HA HIS 44 HA HIS 44 11.256 8.847 2.115 374 HB2 HIS 44 HB2 HIS 44 9.035 7.857 2.475 375 HB3 HIS 44 HB1 HIS 44 8.338 9.462 2.653 376 HD1 HIS 44 HD1 HIS 44 7.459 10.515 0.554 377 HD2 HIS 44 HD2 HIS 44 10.074 7.368 -0.208 378 HE1 HIS 44 HE1 HIS 44 7.367 10.111 -1.933 379 HA PRO 45 HA PRO 45 12.130 13.170 1.438 380 HB2 PRO 45 HB2 PRO 45 12.578 12.978 -1.270 381 HB3 PRO 45 HB1 PRO 45 13.780 12.587 -0.035 382 HG2 PRO 45 HG2 PRO 45 12.012 10.751 -1.581 383 HG3 PRO 45 HG1 PRO 45 13.711 10.549 -1.111 384 HD2 PRO 45 HD2 PRO 45 11.727 9.300 0.194 385 HD3 PRO 45 HD1 PRO 45 13.180 9.884 1.035 386 H GLY 46 HN GLY 46 10.741 14.790 1.190 387 HA2 GLY 46 HA2 GLY 46 9.314 15.962 -0.474 388 HA3 GLY 46 HA1 GLY 46 8.505 14.422 -0.707 389 H GLY 47 HN GLY 47 8.330 13.640 2.002 390 HA2 GLY 47 HA2 GLY 47 7.466 14.738 4.072 391 HA3 GLY 47 HA1 GLY 47 6.436 15.678 3.000 392 H GLU 48 HN GLU 48 5.438 14.141 5.117 393 HA GLU 48 HA GLU 48 4.445 11.663 3.982 394 HB2 GLU 48 HB2 GLU 48 3.334 11.373 6.173 395 HB3 GLU 48 HB1 GLU 48 5.065 11.645 6.317 396 HG2 GLU 48 HG2 GLU 48 3.248 13.987 6.508 397 HG3 GLU 48 HG1 GLU 48 3.326 12.875 7.872 398 H GLU 49 HN GLU 49 3.493 14.888 3.943 399 HA GLU 49 HA GLU 49 0.721 14.795 4.223 400 HB2 GLU 49 HB2 GLU 49 2.017 16.876 4.058 401 HB3 GLU 49 HB1 GLU 49 2.332 16.541 2.363 402 HG2 GLU 49 HG2 GLU 49 0.587 18.116 2.412 403 HG3 GLU 49 HG1 GLU 49 -0.149 16.571 1.993 404 H VAL 50 HN VAL 50 2.689 14.244 1.315 405 HA VAL 50 HA VAL 50 0.351 13.802 -0.310 406 HB VAL 50 HB VAL 50 2.008 13.134 -2.078 407 HG11 VAL 50 HG11 VAL 50 2.867 15.431 -2.383 408 HG12 VAL 50 HG12 VAL 50 2.368 15.811 -0.737 409 HG13 VAL 50 HG13 VAL 50 1.158 15.398 -1.950 410 HG21 VAL 50 HG21 VAL 50 4.371 13.632 -1.671 411 HG22 VAL 50 HG22 VAL 50 3.797 12.343 -0.613 412 HG23 VAL 50 HG23 VAL 50 4.010 13.976 0.019 413 H LEU 51 HN LEU 51 1.875 11.939 1.946 414 HA LEU 51 HA LEU 51 1.407 9.425 0.510 415 HB2 LEU 51 HB2 LEU 51 2.863 10.021 3.080 416 HB3 LEU 51 HB1 LEU 51 2.570 8.398 2.489 417 HG LEU 51 HG LEU 51 4.122 10.471 0.940 418 HD11 LEU 51 HD11 LEU 51 6.126 9.249 1.663 419 HD12 LEU 51 HD12 LEU 51 5.131 8.282 2.753 420 HD13 LEU 51 HD13 LEU 51 5.293 10.020 3.011 421 HD21 LEU 51 HD21 LEU 51 3.942 7.473 0.652 422 HD22 LEU 51 HD22 LEU 51 4.884 8.568 -0.363 423 HD23 LEU 51 HD23 LEU 51 3.121 8.646 -0.374 424 H ARG 52 HN ARG 52 0.492 11.203 3.419 425 HA ARG 52 HA ARG 52 -1.112 9.229 4.599 426 HB2 ARG 52 HB2 ARG 52 -2.179 11.102 5.836 427 HB3 ARG 52 HB1 ARG 52 -0.422 11.134 5.885 428 HG2 ARG 52 HG2 ARG 52 -0.426 13.201 5.112 429 HG3 ARG 52 HG1 ARG 52 -1.271 12.679 3.655 430 HD2 ARG 52 HD2 ARG 52 -2.511 14.445 4.772 431 HD3 ARG 52 HD1 ARG 52 -3.413 12.933 4.822 432 HE ARG 52 HE ARG 52 -2.825 12.718 7.138 433 HH11 ARG 52 HH11 ARG 52 -2.035 15.840 5.669 434 HH12 ARG 52 HH12 ARG 52 -2.039 16.694 7.263 435 HH21 ARG 52 HH21 ARG 52 -2.824 13.783 9.154 436 HH22 ARG 52 HH22 ARG 52 -2.476 15.554 9.200 437 H GLU 53 HN GLU 53 -1.790 11.458 1.999 438 HA GLU 53 HA GLU 53 -4.630 11.057 2.108 439 HB2 GLU 53 HB2 GLU 53 -4.664 12.268 -0.049 440 HB3 GLU 53 HB1 GLU 53 -3.801 13.129 1.215 441 HG2 GLU 53 HG2 GLU 53 -1.685 12.526 0.276 442 HG3 GLU 53 HG1 GLU 53 -2.468 11.476 -0.907 443 H GLN 54 HN GLN 54 -2.054 9.219 0.940 444 HA GLN 54 HA GLN 54 -3.804 7.764 -0.925 445 HB2 GLN 54 HB2 GLN 54 -0.787 7.731 -0.683 446 HB3 GLN 54 HB1 GLN 54 -1.723 6.794 -1.840 447 HG2 GLN 54 HG2 GLN 54 -1.760 9.798 -1.716 448 HG3 GLN 54 HG1 GLN 54 -0.664 8.877 -2.739 449 HE21 GLN 54 HE21 GLN 54 -4.004 9.707 -2.152 450 HE22 GLN 54 HE22 GLN 54 -4.598 9.252 -3.708 451 H ALA 55 HN ALA 55 -3.129 7.723 2.168 452 HA ALA 55 HA ALA 55 -2.163 5.138 2.748 453 HB1 ALA 55 HB1 ALA 55 -3.926 6.953 4.394 454 HB2 ALA 55 HB2 ALA 55 -2.162 6.919 4.404 455 HB3 ALA 55 HB3 ALA 55 -3.076 5.531 4.997 456 H GLY 56 HN GLY 56 -3.093 3.259 2.327 457 HA2 GLY 56 HA2 GLY 56 -4.736 1.619 2.407 458 HA3 GLY 56 HA1 GLY 56 -5.907 2.840 2.884 459 H GLY 57 HN GLY 57 -4.103 3.767 0.185 460 HA2 GLY 57 HA2 GLY 57 -6.198 2.773 -1.640 461 HA3 GLY 57 HA1 GLY 57 -5.650 4.443 -1.688 462 H ASP 58 HN ASP 58 -5.421 3.453 -3.998 463 HA ASP 58 HA ASP 58 -2.801 2.177 -4.291 464 HB2 ASP 58 HB2 ASP 58 -4.731 1.099 -5.437 465 HB3 ASP 58 HB1 ASP 58 -4.983 2.575 -6.359 466 H ALA 59 HN ALA 59 -1.117 3.316 -4.950 467 HA ALA 59 HA ALA 59 -1.600 5.933 -6.225 468 HB1 ALA 59 HB1 ALA 59 0.406 6.769 -5.092 469 HB2 ALA 59 HB2 ALA 59 0.595 5.215 -4.282 470 HB3 ALA 59 HB3 ALA 59 -0.807 6.225 -3.936 471 H THR 60 HN THR 60 -1.172 3.291 -7.419 472 HA THR 60 HA THR 60 1.442 2.891 -8.321 473 HB THR 60 HB THR 60 -1.092 2.326 -9.877 474 HG1 THR 60 HG1 THR 60 -1.374 1.245 -7.999 475 HG21 THR 60 HG21 THR 60 1.637 1.028 -9.967 476 HG22 THR 60 HG22 THR 60 0.967 2.098 -11.197 477 HG23 THR 60 HG23 THR 60 0.224 0.526 -10.896 478 H GLU 61 HN GLU 61 -1.178 4.843 -9.686 479 HA GLU 61 HA GLU 61 0.120 5.625 -12.037 480 HB2 GLU 61 HB2 GLU 61 -1.483 7.519 -12.071 481 HB3 GLU 61 HB1 GLU 61 -2.257 5.968 -11.775 482 HG2 GLU 61 HG2 GLU 61 -2.337 6.491 -9.371 483 HG3 GLU 61 HG1 GLU 61 -1.606 8.059 -9.710 484 H ASN 62 HN ASN 62 0.219 6.999 -8.788 485 HA ASN 62 HA ASN 62 1.698 9.326 -9.529 486 HB2 ASN 62 HB2 ASN 62 0.256 8.916 -7.418 487 HB3 ASN 62 HB1 ASN 62 1.681 8.117 -6.770 488 HD21 ASN 62 HD21 ASN 62 0.307 10.515 -5.874 489 HD22 ASN 62 HD22 ASN 62 1.490 11.775 -5.883 490 H PHE 63 HN PHE 63 2.518 6.168 -8.215 491 HA PHE 63 HA PHE 63 5.211 6.494 -7.662 492 HB2 PHE 63 HB2 PHE 63 3.710 4.494 -7.192 493 HB3 PHE 63 HB1 PHE 63 4.024 3.988 -8.847 494 HD1 PHE 63 HD1 PHE 63 6.251 3.231 -9.519 495 HD2 PHE 63 HD2 PHE 63 5.387 4.307 -5.495 496 HE1 PHE 63 HE1 PHE 63 8.297 2.084 -8.778 497 HE2 PHE 63 HE2 PHE 63 7.434 3.164 -4.746 498 HZ PHE 63 HZ PHE 63 8.890 2.047 -6.390 499 H GLU 64 HN GLU 64 3.719 5.476 -10.726 500 HA GLU 64 HA GLU 64 6.281 5.414 -12.050 501 HB2 GLU 64 HB2 GLU 64 4.859 4.929 -14.085 502 HB3 GLU 64 HB1 GLU 64 4.757 3.764 -12.773 503 HG2 GLU 64 HG2 GLU 64 2.675 4.932 -12.021 504 HG3 GLU 64 HG1 GLU 64 2.754 5.889 -13.497 505 H ASP 65 HN ASP 65 3.671 7.666 -11.662 506 HA ASP 65 HA ASP 65 4.139 9.313 -13.893 507 HB2 ASP 65 HB2 ASP 65 2.146 9.377 -12.305 508 HB3 ASP 65 HB1 ASP 65 3.177 10.293 -11.209 509 H VAL 66 HN VAL 66 5.319 9.514 -10.561 510 HA VAL 66 HA VAL 66 6.951 11.790 -10.988 511 HB VAL 66 HB VAL 66 7.122 9.644 -8.862 512 HG11 VAL 66 HG11 VAL 66 9.258 10.887 -9.195 513 HG12 VAL 66 HG12 VAL 66 8.533 11.124 -7.607 514 HG13 VAL 66 HG13 VAL 66 8.391 12.381 -8.836 515 HG21 VAL 66 HG21 VAL 66 5.017 10.946 -8.916 516 HG22 VAL 66 HG22 VAL 66 5.958 12.426 -8.741 517 HG23 VAL 66 HG23 VAL 66 5.957 11.226 -7.451 518 H GLY 67 HN GLY 67 7.605 8.315 -10.989 519 HA2 GLY 67 HA2 GLY 67 9.187 7.251 -12.374 520 HA3 GLY 67 HA1 GLY 67 9.983 8.799 -12.620 521 H HIS 68 HN HIS 68 9.755 5.977 -10.668 522 HA HIS 68 HA HIS 68 11.599 7.011 -8.662 523 HB2 HIS 68 HB2 HIS 68 9.991 4.485 -8.942 524 HB3 HIS 68 HB1 HIS 68 11.306 4.583 -7.776 525 HD1 HIS 68 HD1 HIS 68 8.082 6.470 -8.602 526 HD2 HIS 68 HD2 HIS 68 10.592 5.606 -5.403 527 HE1 HIS 68 HE1 HIS 68 6.968 7.426 -6.544 528 H SER 69 HN SER 69 13.690 6.360 -8.395 529 HA SER 69 HA SER 69 15.056 5.380 -10.674 530 HB2 SER 69 HB2 SER 69 16.081 5.650 -7.843 531 HB3 SER 69 HB1 SER 69 17.058 5.545 -9.308 532 HG SER 69 HG SER 69 15.464 7.663 -8.351 533 H THR 70 HN THR 70 16.630 3.523 -10.519 534 HA THR 70 HA THR 70 15.253 1.122 -10.275 535 HB THR 70 HB THR 70 18.013 0.565 -10.024 536 HG1 THR 70 HG1 THR 70 18.773 1.971 -11.744 537 HG21 THR 70 HG21 THR 70 16.337 0.802 -12.524 538 HG22 THR 70 HG22 THR 70 16.331 -0.591 -11.444 539 HG23 THR 70 HG23 THR 70 17.798 -0.159 -12.319 540 H ASP 71 HN ASP 71 17.663 2.556 -8.069 541 HA ASP 71 HA ASP 71 17.674 0.472 -6.181 542 HB2 ASP 71 HB2 ASP 71 19.422 2.084 -6.055 543 HB3 ASP 71 HB1 ASP 71 18.280 3.419 -5.932 544 H ALA 72 HN ALA 72 15.665 3.343 -6.470 545 HA ALA 72 HA ALA 72 14.337 3.183 -4.011 546 HB1 ALA 72 HB1 ALA 72 13.270 4.310 -6.590 547 HB2 ALA 72 HB2 ALA 72 14.346 5.159 -5.482 548 HB3 ALA 72 HB3 ALA 72 12.727 4.701 -4.959 549 H ARG 73 HN ARG 73 13.364 1.929 -7.210 550 HA ARG 73 HA ARG 73 10.940 0.837 -6.231 551 HB2 ARG 73 HB2 ARG 73 10.725 -0.267 -8.379 552 HB3 ARG 73 HB1 ARG 73 11.233 1.400 -8.590 553 HG2 ARG 73 HG2 ARG 73 12.744 0.562 -9.992 554 HG3 ARG 73 HG1 ARG 73 13.624 0.080 -8.540 555 HD2 ARG 73 HD2 ARG 73 13.330 -1.747 -10.208 556 HD3 ARG 73 HD1 ARG 73 12.674 -2.115 -8.613 557 HE ARG 73 HE ARG 73 10.792 -1.029 -10.540 558 HH11 ARG 73 HH11 ARG 73 12.189 -3.876 -9.005 559 HH12 ARG 73 HH12 ARG 73 10.793 -4.932 -9.463 560 HH21 ARG 73 HH21 ARG 73 9.006 -2.325 -11.112 561 HH22 ARG 73 HH22 ARG 73 9.009 -4.068 -10.643 562 H GLU 74 HN GLU 74 14.189 -0.483 -6.534 563 HA GLU 74 HA GLU 74 13.376 -3.177 -5.965 564 HB2 GLU 74 HB2 GLU 74 16.080 -1.834 -5.924 565 HB3 GLU 74 HB1 GLU 74 15.841 -3.546 -5.606 566 HG2 GLU 74 HG2 GLU 74 15.083 -2.140 -8.155 567 HG3 GLU 74 HG1 GLU 74 16.546 -3.092 -7.914 568 H LEU 75 HN LEU 75 14.118 -0.388 -4.093 569 HA LEU 75 HA LEU 75 14.784 -1.698 -1.653 570 HB2 LEU 75 HB2 LEU 75 15.434 0.616 -2.163 571 HB3 LEU 75 HB1 LEU 75 13.748 1.092 -2.165 572 HG LEU 75 HG LEU 75 13.769 0.200 0.291 573 HD11 LEU 75 HD11 LEU 75 15.920 0.507 1.397 574 HD12 LEU 75 HD12 LEU 75 16.686 0.795 -0.165 575 HD13 LEU 75 HD13 LEU 75 15.990 -0.784 0.199 576 HD21 LEU 75 HD21 LEU 75 14.438 2.432 1.073 577 HD22 LEU 75 HD22 LEU 75 13.354 2.509 -0.316 578 HD23 LEU 75 HD23 LEU 75 15.081 2.788 -0.530 579 H SER 76 HN SER 76 11.814 -0.881 -3.242 580 HA SER 76 HA SER 76 10.113 -0.813 -0.991 581 HB2 SER 76 HB2 SER 76 8.294 -0.953 -2.554 582 HB3 SER 76 HB1 SER 76 9.554 0.032 -3.300 583 HG SER 76 HG SER 76 10.071 -1.621 -4.647 584 H LYS 77 HN LYS 77 11.729 -3.366 -2.527 585 HA LYS 77 HA LYS 77 9.939 -5.500 -2.159 586 HB2 LYS 77 HB2 LYS 77 12.137 -5.358 -3.512 587 HB3 LYS 77 HB1 LYS 77 12.917 -5.807 -2.002 588 HG2 LYS 77 HG2 LYS 77 11.548 -7.841 -1.922 589 HG3 LYS 77 HG1 LYS 77 10.829 -7.395 -3.473 590 HD2 LYS 77 HD2 LYS 77 13.175 -7.336 -4.400 591 HD3 LYS 77 HD1 LYS 77 13.696 -8.088 -2.891 592 HE2 LYS 77 HE2 LYS 77 12.302 -9.996 -3.307 593 HE3 LYS 77 HE1 LYS 77 11.608 -9.228 -4.735 594 HZ1 LYS 77 HZ1 LYS 77 13.288 -10.816 -5.371 595 HZ2 LYS 77 HZ2 LYS 77 14.442 -10.050 -4.396 596 HZ3 LYS 77 HZ3 LYS 77 13.816 -9.254 -5.749 597 H THR 78 HN THR 78 11.820 -3.744 0.132 598 HA THR 78 HA THR 78 11.747 -5.926 2.055 599 HB THR 78 HB THR 78 13.676 -4.182 1.755 600 HG1 THR 78 HG1 THR 78 14.319 -5.126 3.530 601 HG21 THR 78 HG21 THR 78 12.314 -2.176 2.064 602 HG22 THR 78 HG22 THR 78 13.540 -2.308 3.326 603 HG23 THR 78 HG23 THR 78 11.863 -2.721 3.679 604 H PHE 79 HN PHE 79 9.657 -3.570 1.007 605 HA PHE 79 HA PHE 79 8.341 -3.319 3.625 606 HB2 PHE 79 HB2 PHE 79 7.964 -1.681 1.109 607 HB3 PHE 79 HB1 PHE 79 7.092 -1.436 2.617 608 HD1 PHE 79 HD2 PHE 79 8.886 -1.369 4.714 609 HD2 PHE 79 HD1 PHE 79 9.577 -0.129 0.705 610 HE1 PHE 79 HE2 PHE 79 10.674 0.130 5.490 611 HE2 PHE 79 HE1 PHE 79 11.371 1.371 1.472 612 HZ PHE 79 HZ PHE 79 11.920 1.500 3.870 613 H ILE 80 HN ILE 80 8.177 -5.134 0.849 614 HA ILE 80 HA ILE 80 5.335 -5.200 0.509 615 HB ILE 80 HB ILE 80 6.828 -5.745 -1.362 616 HG12 ILE 80 HG12 ILE 80 5.738 -8.090 -1.858 617 HG13 ILE 80 HG11 ILE 80 4.812 -7.731 -0.405 618 HG21 ILE 80 HG21 ILE 80 8.639 -6.853 -0.259 619 HG22 ILE 80 HG22 ILE 80 7.940 -7.963 -1.439 620 HG23 ILE 80 HG23 ILE 80 7.577 -8.156 0.277 621 HD11 ILE 80 HD11 ILE 80 3.621 -7.065 -2.403 622 HD12 ILE 80 HD12 ILE 80 4.963 -6.017 -2.869 623 HD13 ILE 80 HD13 ILE 80 4.029 -5.661 -1.415 624 H ILE 81 HN ILE 81 3.905 -6.264 1.682 625 HA ILE 81 HA ILE 81 4.831 -8.549 3.296 626 HB ILE 81 HB ILE 81 3.286 -7.998 5.056 627 HG12 ILE 81 HG12 ILE 81 1.607 -6.893 3.446 628 HG13 ILE 81 HG11 ILE 81 1.756 -6.223 5.065 629 HG21 ILE 81 HG21 ILE 81 5.029 -5.697 4.219 630 HG22 ILE 81 HG22 ILE 81 5.422 -7.018 5.316 631 HG23 ILE 81 HG23 ILE 81 4.240 -5.802 5.790 632 HD11 ILE 81 HD11 ILE 81 3.397 -4.558 3.962 633 HD12 ILE 81 HD12 ILE 81 1.664 -4.352 3.724 634 HD13 ILE 81 HD13 ILE 81 2.647 -5.080 2.453 635 H GLY 82 HN GLY 82 3.080 -7.751 0.695 636 HA2 GLY 82 HA2 GLY 82 1.914 -10.134 0.197 637 HA3 GLY 82 HA1 GLY 82 0.718 -9.328 1.196 638 H GLU 83 HN GLU 83 -0.394 -9.854 -0.963 639 HA GLU 83 HA GLU 83 -0.235 -7.441 -2.634 640 HB2 GLU 83 HB2 GLU 83 -0.573 -10.283 -3.604 641 HB3 GLU 83 HB1 GLU 83 -0.805 -8.861 -4.608 642 HG2 GLU 83 HG2 GLU 83 1.572 -8.248 -4.122 643 HG3 GLU 83 HG1 GLU 83 1.745 -9.827 -3.354 644 H LEU 84 HN LEU 84 -2.267 -7.378 -4.100 645 HA LEU 84 HA LEU 84 -4.564 -7.569 -2.354 646 HB2 LEU 84 HB2 LEU 84 -3.783 -5.962 -4.560 647 HB3 LEU 84 HB1 LEU 84 -5.241 -6.811 -5.029 648 HG LEU 84 HG LEU 84 -5.787 -4.635 -4.116 649 HD11 LEU 84 HD11 LEU 84 -7.422 -5.294 -2.472 650 HD12 LEU 84 HD12 LEU 84 -6.561 -6.800 -2.167 651 HD13 LEU 84 HD13 LEU 84 -7.327 -6.525 -3.728 652 HD21 LEU 84 HD21 LEU 84 -3.823 -4.359 -2.677 653 HD22 LEU 84 HD22 LEU 84 -4.458 -5.583 -1.576 654 HD23 LEU 84 HD23 LEU 84 -5.323 -4.062 -1.800 655 H HIS 85 HN HIS 85 -6.404 -8.807 -2.768 656 HA HIS 85 HA HIS 85 -6.056 -11.394 -3.712 657 HB2 HIS 85 HB2 HIS 85 -8.434 -9.718 -3.059 658 HB3 HIS 85 HB1 HIS 85 -8.713 -11.197 -3.970 659 HD1 HIS 85 HD1 HIS 85 -9.906 -12.410 -2.069 660 HD2 HIS 85 HD2 HIS 85 -6.092 -11.105 -1.061 661 HE1 HIS 85 HE1 HIS 85 -9.370 -13.523 0.118 662 HE2 HIS 85 HE2 HIS 85 -6.995 -12.858 0.622 663 HA PRO 86 HA PRO 86 -6.144 -11.143 -8.135 664 HB2 PRO 86 HB2 PRO 86 -7.374 -13.555 -8.666 665 HB3 PRO 86 HB1 PRO 86 -5.654 -13.369 -8.299 666 HG2 PRO 86 HG2 PRO 86 -7.883 -14.178 -6.491 667 HG3 PRO 86 HG1 PRO 86 -6.230 -14.813 -6.597 668 HD2 PRO 86 HD2 PRO 86 -6.936 -13.119 -4.655 669 HD3 PRO 86 HD1 PRO 86 -5.328 -13.051 -5.407 670 H ASP 87 HN ASP 87 -9.074 -12.120 -6.422 671 HA ASP 87 HA ASP 87 -10.898 -11.635 -8.521 672 HB2 ASP 87 HB2 ASP 87 -11.548 -11.339 -5.588 673 HB3 ASP 87 HB1 ASP 87 -12.616 -11.847 -6.890 674 H ASP 88 HN ASP 88 -9.438 -9.597 -6.100 675 HA ASP 88 HA ASP 88 -11.084 -7.305 -6.811 676 HB2 ASP 88 HB2 ASP 88 -8.975 -7.809 -4.722 677 HB3 ASP 88 HB1 ASP 88 -9.469 -6.167 -5.113 678 H ARG 89 HN ARG 89 -8.729 -8.782 -8.336 679 HA ARG 89 HA ARG 89 -7.337 -6.310 -9.121 680 HB2 ARG 89 HB2 ARG 89 -6.106 -8.423 -8.088 681 HB3 ARG 89 HB1 ARG 89 -6.197 -8.991 -9.748 682 HG2 ARG 89 HG2 ARG 89 -5.108 -6.858 -10.455 683 HG3 ARG 89 HG1 ARG 89 -4.861 -6.496 -8.744 684 HD2 ARG 89 HD2 ARG 89 -3.831 -8.947 -10.169 685 HD3 ARG 89 HD1 ARG 89 -2.879 -7.510 -9.809 686 HE ARG 89 HE ARG 89 -4.086 -8.655 -7.475 687 HH11 ARG 89 HH11 ARG 89 -1.369 -8.847 -9.691 688 HH12 ARG 89 HH12 ARG 89 -0.304 -9.673 -8.493 689 HH21 ARG 89 HH21 ARG 89 -2.762 -9.687 -5.911 690 HH22 ARG 89 HH22 ARG 89 -1.059 -10.120 -6.369 691 H SER 90 HN SER 90 -8.655 -9.378 -10.352 692 HA SER 90 HA SER 90 -9.191 -8.001 -12.888 693 HB2 SER 90 HB2 SER 90 -8.021 -10.789 -12.718 694 HB3 SER 90 HB1 SER 90 -8.391 -9.890 -14.189 695 HG SER 90 HG SER 90 -6.854 -8.289 -12.899 696 H LYS 91 HN LYS 91 -11.183 -8.172 -11.200 697 HA LYS 91 HA LYS 91 -13.061 -9.871 -12.536 698 HB2 LYS 91 HB2 LYS 91 -11.981 -11.373 -10.784 699 HB3 LYS 91 HB1 LYS 91 -12.732 -10.346 -9.570 700 HG2 LYS 91 HG2 LYS 91 -14.939 -10.901 -10.483 701 HG3 LYS 91 HG1 LYS 91 -14.174 -11.940 -11.684 702 HD2 LYS 91 HD2 LYS 91 -13.993 -12.306 -8.697 703 HD3 LYS 91 HD1 LYS 91 -15.062 -13.208 -9.767 704 HE2 LYS 91 HE2 LYS 91 -12.045 -13.204 -9.832 705 HE3 LYS 91 HE1 LYS 91 -13.074 -14.502 -9.233 706 HZ1 LYS 91 HZ1 LYS 91 -12.333 -15.017 -11.434 707 HZ2 LYS 91 HZ2 LYS 91 -12.894 -13.541 -12.035 708 HZ3 LYS 91 HZ3 LYS 91 -13.996 -14.704 -11.492 709 H LEU 92 HN LEU 92 -12.717 -8.286 -9.372 710 HA LEU 92 HA LEU 92 -13.898 -6.672 -8.319 711 HB2 LEU 92 HB2 LEU 92 -13.947 -5.763 -11.170 712 HB3 LEU 92 HB1 LEU 92 -14.854 -4.871 -9.966 713 HG LEU 92 HG LEU 92 -12.760 -3.770 -10.247 714 HD11 LEU 92 HD11 LEU 92 -11.915 -3.731 -8.048 715 HD12 LEU 92 HD12 LEU 92 -12.438 -5.383 -7.733 716 HD13 LEU 92 HD13 LEU 92 -13.634 -4.098 -7.910 717 HD21 LEU 92 HD21 LEU 92 -11.420 -6.416 -9.711 718 HD22 LEU 92 HD22 LEU 92 -10.612 -4.868 -9.968 719 HD23 LEU 92 HD23 LEU 92 -11.529 -5.613 -11.279 720 H SER 93 HN SER 93 -15.372 -8.913 -8.448 721 HA SER 93 HA SER 93 -18.068 -7.964 -9.160 722 HB2 SER 93 HB2 SER 93 -17.232 -10.842 -8.763 723 HB3 SER 93 HB1 SER 93 -18.723 -10.246 -9.487 724 HG SER 93 HG SER 93 -16.936 -9.157 -10.951 725 H LYS 94 HN LYS 94 -17.842 -6.802 -7.068 726 HA LYS 94 HA LYS 94 -18.902 -8.434 -4.893 727 HB2 LYS 94 HB2 LYS 94 -16.446 -6.691 -4.695 728 HB3 LYS 94 HB1 LYS 94 -17.392 -7.143 -3.286 729 HG2 LYS 94 HG2 LYS 94 -16.747 -9.350 -3.390 730 HG3 LYS 94 HG1 LYS 94 -16.359 -9.263 -5.109 731 HD2 LYS 94 HD2 LYS 94 -14.306 -9.404 -3.856 732 HD3 LYS 94 HD1 LYS 94 -14.441 -7.787 -4.544 733 HE2 LYS 94 HE2 LYS 94 -15.497 -7.159 -2.276 734 HE3 LYS 94 HE1 LYS 94 -14.785 -8.666 -1.702 735 HZ1 LYS 94 HZ1 LYS 94 -13.204 -7.011 -1.249 736 HZ2 LYS 94 HZ2 LYS 94 -13.401 -6.275 -2.761 737 HZ3 LYS 94 HZ3 LYS 94 -12.621 -7.768 -2.654 738 HA PRO 95 HA PRO 95 -21.510 -4.828 -4.596 739 HB2 PRO 95 HB2 PRO 95 -22.695 -5.375 -2.221 740 HB3 PRO 95 HB1 PRO 95 -23.096 -6.262 -3.699 741 HG2 PRO 95 HG2 PRO 95 -21.291 -7.069 -1.457 742 HG3 PRO 95 HG1 PRO 95 -22.486 -8.037 -2.345 743 HD2 PRO 95 HD2 PRO 95 -19.828 -8.149 -2.867 744 HD3 PRO 95 HD1 PRO 95 -21.067 -8.413 -4.108 745 H MET 96 HN MET 96 -21.333 -2.797 -3.675 746 HA MET 96 HA MET 96 -19.165 -2.483 -1.743 747 HB2 MET 96 HB2 MET 96 -19.108 -1.131 -3.808 748 HB3 MET 96 HB1 MET 96 -20.619 -0.365 -3.335 749 HG2 MET 96 HG2 MET 96 -19.622 0.981 -1.831 750 HG3 MET 96 HG1 MET 96 -18.464 -0.252 -1.338 751 HE1 MET 96 HE1 MET 96 -17.999 2.445 -5.055 752 HE2 MET 96 HE2 MET 96 -19.282 2.623 -3.862 753 HE3 MET 96 HE3 MET 96 -19.254 1.214 -4.920 754 H GLU 97 HN GLU 97 -22.434 -1.125 -2.220 755 HA GLU 97 HA GLU 97 -24.019 -0.394 -0.776 756 HB2 GLU 97 HB2 GLU 97 -23.875 -2.753 -0.009 757 HB3 GLU 97 HB1 GLU 97 -22.700 -2.259 1.200 758 HG2 GLU 97 HG2 GLU 97 -24.472 -0.668 2.065 759 HG3 GLU 97 HG1 GLU 97 -25.606 -1.539 1.032 760 H THR 98 HN THR 98 -23.460 1.746 -0.568 761 HA THR 98 HA THR 98 -22.382 2.510 1.998 762 HB THR 98 HB THR 98 -20.350 2.216 0.591 763 HG1 THR 98 HG1 THR 98 -19.440 4.171 1.210 764 HG21 THR 98 HG21 THR 98 -21.548 4.456 -1.039 765 HG22 THR 98 HG22 THR 98 -21.250 2.806 -1.582 766 HG23 THR 98 HG23 THR 98 -19.895 3.863 -1.191 767 H LEU 99 HN LEU 99 -22.328 4.976 2.164 768 HA LEU 99 HA LEU 99 -23.482 6.929 2.210 769 HB2 LEU 99 HB2 LEU 99 -24.043 6.237 -0.672 770 HB3 LEU 99 HB1 LEU 99 -24.289 7.811 0.058 771 HG LEU 99 HG LEU 99 -21.586 6.484 -0.041 772 HD11 LEU 99 HD11 LEU 99 -22.356 6.723 -2.322 773 HD12 LEU 99 HD12 LEU 99 -21.119 7.933 -1.976 774 HD13 LEU 99 HD13 LEU 99 -22.820 8.398 -2.017 775 HD21 LEU 99 HD21 LEU 99 -21.877 8.270 1.607 776 HD22 LEU 99 HD22 LEU 99 -22.443 9.351 0.334 777 HD23 LEU 99 HD23 LEU 99 -20.781 8.760 0.313 778 H ILE 100 HN ILE 100 -24.888 4.770 3.232 779 HA ILE 100 HA ILE 100 -27.643 5.253 2.305 780 HB ILE 100 HB ILE 100 -28.251 3.128 3.376 781 HG12 ILE 100 HG12 ILE 100 -25.291 2.716 3.840 782 HG13 ILE 100 HG11 ILE 100 -26.416 3.210 5.102 783 HG21 ILE 100 HG21 ILE 100 -25.939 2.892 1.454 784 HG22 ILE 100 HG22 ILE 100 -27.632 3.138 1.022 785 HG23 ILE 100 HG23 ILE 100 -27.128 1.631 1.792 786 HD11 ILE 100 HD11 ILE 100 -26.000 0.836 5.221 787 HD12 ILE 100 HD12 ILE 100 -26.504 0.642 3.542 788 HD13 ILE 100 HD13 ILE 100 -27.677 1.135 4.762 789 H THR 101 HN THR 101 -25.943 6.806 4.257 790 HA THR 101 HA THR 101 -27.995 7.100 6.276 791 HB THR 101 HB THR 101 -25.136 6.517 7.087 792 HG1 THR 101 HG1 THR 101 -27.287 4.902 6.677 793 HG21 THR 101 HG21 THR 101 -25.987 6.605 9.384 794 HG22 THR 101 HG22 THR 101 -27.584 7.047 8.782 795 HG23 THR 101 HG23 THR 101 -26.224 8.147 8.561 796 H THR 102 HN THR 102 -28.238 9.200 6.802 797 HA THR 102 HA THR 102 -26.544 11.158 5.554 798 HB THR 102 HB THR 102 -28.368 12.329 7.441 799 HG1 THR 102 HG1 THR 102 -29.477 10.378 5.675 800 HG21 THR 102 HG21 THR 102 -27.552 13.365 5.354 801 HG22 THR 102 HG22 THR 102 -29.312 13.335 5.424 802 HG23 THR 102 HG23 THR 102 -28.451 12.170 4.421 803 H VAL 103 HN VAL 103 -24.571 11.326 6.466 804 HA VAL 103 HA VAL 103 -24.404 11.600 9.393 805 HB VAL 103 HB VAL 103 -21.996 11.152 9.145 806 HG11 VAL 103 HG11 VAL 103 -23.759 9.104 7.813 807 HG12 VAL 103 HG12 VAL 103 -23.485 9.281 9.546 808 HG13 VAL 103 HG13 VAL 103 -22.159 8.793 8.490 809 HG21 VAL 103 HG21 VAL 103 -21.130 10.366 6.968 810 HG22 VAL 103 HG22 VAL 103 -21.621 12.062 6.940 811 HG23 VAL 103 HG23 VAL 103 -22.662 10.830 6.222 812 H ASP 104 HN ASP 104 -24.659 13.490 6.742 813 HA ASP 104 HA ASP 104 -23.616 15.795 8.105 814 HB2 ASP 104 HB2 ASP 104 -21.940 16.435 6.593 815 HB3 ASP 104 HB1 ASP 104 -21.664 14.710 6.794 816 HHB HEM 400 HB HEM 400 11.822 4.707 -2.095 817 HHC HEM 400 HC HEM 400 5.506 4.734 -2.486 818 HHD HEM 400 HD HEM 400 5.685 10.651 -4.732 819 HMA HEM 400 HMA1 HEM 400 13.721 5.480 -1.721 820 HMAA HEM 400 HMA2 HEM 400 14.789 6.818 -2.035 821 HMAB HEM 400 HMA3 HEM 400 14.540 5.651 -3.311 822 HAA HEM 400 HAA1 HEM 400 14.732 9.232 -2.926 823 HAAA HEM 400 HAA2 HEM 400 13.917 9.930 -4.316 824 HBA HEM 400 HBA1 HEM 400 14.809 7.201 -4.843 825 HBAA HEM 400 HBA2 HEM 400 16.141 8.261 -4.392 826 HMB HEM 400 HMB1 HEM 400 10.229 1.876 -2.044 827 HMBA HEM 400 HMB2 HEM 400 9.754 2.309 -0.396 828 HMBB HEM 400 HMB3 HEM 400 11.168 3.046 -1.141 829 HAB HEM 400 HAB HEM 400 6.587 2.143 -2.301 830 HBB HEM 400 HBB1 HEM 400 7.295 2.894 0.648 831 HBBA HEM 400 HBB2 HEM 400 6.120 1.515 0.005 832 HMC HEM 400 HMC1 HEM 400 2.460 6.780 -3.498 833 HMCA HEM 400 HMC2 HEM 400 3.254 6.027 -2.117 834 HMCB HEM 400 HMC3 HEM 400 3.401 5.323 -3.730 835 HAC HEM 400 HAC HEM 400 3.464 9.743 -5.090 836 HBC HEM 400 HBC1 HEM 400 2.222 8.713 -2.409 837 HBCA HEM 400 HBC2 HEM 400 1.484 9.948 -3.681 838 HMD HEM 400 HMD1 HEM 400 7.802 13.669 -5.106 839 HMDA HEM 400 HMD2 HEM 400 6.372 12.653 -4.916 840 HMDB HEM 400 HMD3 HEM 400 7.213 12.727 -6.464 841 HAD HEM 400 HAD1 HEM 400 10.081 13.609 -4.689 842 HADA HEM 400 HAD2 HEM 400 11.445 12.506 -4.752 843 HBD HEM 400 HBD1 HEM 400 9.714 12.815 -7.180 844 HBDA HEM 400 HBD2 HEM 400 11.425 12.408 -7.070 845 HHA HEM 400 HA HEM 400 12.020 10.569 -4.453 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 20.708 -13.037 17.284 2 H2 MET 1 HT2 MET 1 21.317 -12.517 18.775 3 H3 MET 1 HT3 MET 1 20.743 -11.388 17.657 4 HA MET 1 HA MET 1 19.129 -13.453 19.030 5 HB2 MET 1 HB2 MET 1 19.599 -10.539 19.541 6 HB3 MET 1 HB1 MET 1 18.010 -11.212 19.876 7 HG2 MET 1 HG2 MET 1 19.261 -11.262 21.894 8 HG3 MET 1 HG1 MET 1 19.101 -12.918 21.313 9 HE1 MET 1 HE1 MET 1 21.178 -12.372 23.539 10 HE2 MET 1 HE2 MET 1 22.608 -13.188 22.911 11 HE3 MET 1 HE3 MET 1 21.016 -13.928 22.725 12 H ALA 2 HN ALA 2 18.619 -10.288 17.462 13 HA ALA 2 HA ALA 2 16.396 -11.510 15.980 14 HB1 ALA 2 HB1 ALA 2 15.628 -9.765 17.446 15 HB2 ALA 2 HB2 ALA 2 15.510 -9.196 15.780 16 HB3 ALA 2 HB3 ALA 2 16.829 -8.643 16.809 17 H ALA 3 HN ALA 3 17.168 -12.114 14.040 18 HA ALA 3 HA ALA 3 18.308 -10.029 12.339 19 HB1 ALA 3 HB1 ALA 3 20.258 -11.154 13.236 20 HB2 ALA 3 HB2 ALA 3 20.075 -11.548 11.527 21 HB3 ALA 3 HB3 ALA 3 19.605 -12.721 12.758 22 H GLN 4 HN GLN 4 15.712 -11.313 12.466 23 HA GLN 4 HA GLN 4 15.464 -13.327 10.501 24 HB2 GLN 4 HB2 GLN 4 13.087 -12.912 10.564 25 HB3 GLN 4 HB1 GLN 4 13.717 -12.832 12.203 26 HG2 GLN 4 HG2 GLN 4 13.591 -10.271 10.769 27 HG3 GLN 4 HG1 GLN 4 12.038 -11.023 11.126 28 HE21 GLN 4 HE21 GLN 4 11.481 -9.419 12.583 29 HE22 GLN 4 HE22 GLN 4 12.216 -9.294 14.145 30 H SER 5 HN SER 5 15.059 -13.251 8.343 31 HA SER 5 HA SER 5 14.759 -10.672 7.020 32 HB2 SER 5 HB2 SER 5 16.960 -12.591 6.218 33 HB3 SER 5 HB1 SER 5 16.646 -10.987 5.554 34 HG SER 5 HG SER 5 16.907 -10.656 8.135 35 H ASP 6 HN ASP 6 13.014 -12.887 7.441 36 HA ASP 6 HA ASP 6 12.880 -14.550 5.124 37 HB2 ASP 6 HB2 ASP 6 11.364 -14.156 7.595 38 HB3 ASP 6 HB1 ASP 6 10.343 -14.546 6.216 39 H LYS 7 HN LYS 7 10.995 -14.590 3.674 40 HA LYS 7 HA LYS 7 9.905 -11.912 3.115 41 HB2 LYS 7 HB2 LYS 7 10.866 -13.954 1.093 42 HB3 LYS 7 HB1 LYS 7 10.006 -12.478 0.691 43 HG2 LYS 7 HG2 LYS 7 12.680 -12.580 2.068 44 HG3 LYS 7 HG1 LYS 7 12.443 -12.331 0.337 45 HD2 LYS 7 HD2 LYS 7 10.860 -10.396 1.186 46 HD3 LYS 7 HD1 LYS 7 11.883 -10.506 2.621 47 HE2 LYS 7 HE2 LYS 7 13.871 -10.296 1.114 48 HE3 LYS 7 HE1 LYS 7 12.756 -9.970 -0.212 49 HZ1 LYS 7 HZ1 LYS 7 13.064 -8.361 2.262 50 HZ2 LYS 7 HZ2 LYS 7 11.927 -8.056 1.046 51 HZ3 LYS 7 HZ3 LYS 7 13.580 -7.921 0.711 52 H ASP 8 HN ASP 8 7.746 -11.885 2.443 53 HA ASP 8 HA ASP 8 6.400 -14.467 2.193 54 HB2 ASP 8 HB2 ASP 8 6.353 -13.279 4.611 55 HB3 ASP 8 HB1 ASP 8 4.981 -12.468 3.862 56 H VAL 9 HN VAL 9 3.902 -13.887 1.881 57 HA VAL 9 HA VAL 9 3.413 -11.506 0.383 58 HB VAL 9 HB VAL 9 4.594 -12.638 -1.369 59 HG11 VAL 9 HG11 VAL 9 2.766 -14.977 -0.888 60 HG12 VAL 9 HG12 VAL 9 4.507 -14.908 -0.609 61 HG13 VAL 9 HG13 VAL 9 3.871 -14.824 -2.253 62 HG21 VAL 9 HG21 VAL 9 2.540 -11.388 -1.961 63 HG22 VAL 9 HG22 VAL 9 1.650 -12.910 -1.952 64 HG23 VAL 9 HG23 VAL 9 2.950 -12.656 -3.117 65 H LYS 10 HN LYS 10 1.942 -11.559 2.187 66 HA LYS 10 HA LYS 10 -0.203 -13.503 2.170 67 HB2 LYS 10 HB2 LYS 10 0.882 -12.214 4.198 68 HB3 LYS 10 HB1 LYS 10 -0.288 -10.972 3.770 69 HG2 LYS 10 HG2 LYS 10 -2.113 -12.531 4.098 70 HG3 LYS 10 HG1 LYS 10 -0.973 -13.836 4.424 71 HD2 LYS 10 HD2 LYS 10 -1.107 -11.316 6.064 72 HD3 LYS 10 HD1 LYS 10 -2.026 -12.770 6.452 73 HE2 LYS 10 HE2 LYS 10 0.960 -12.797 6.099 74 HE3 LYS 10 HE1 LYS 10 0.201 -12.442 7.647 75 HZ1 LYS 10 HZ1 LYS 10 -0.805 -14.594 7.668 76 HZ2 LYS 10 HZ2 LYS 10 0.844 -14.801 7.353 77 HZ3 LYS 10 HZ3 LYS 10 -0.279 -14.929 6.097 78 H TYR 11 HN TYR 11 -1.898 -13.344 0.866 79 HA TYR 11 HA TYR 11 -2.386 -10.939 -0.638 80 HB2 TYR 11 HB2 TYR 11 -3.545 -13.701 -0.619 81 HB3 TYR 11 HB1 TYR 11 -4.426 -12.402 -1.418 82 HD1 TYR 11 HD2 TYR 11 -1.207 -14.247 -1.388 83 HD2 TYR 11 HD1 TYR 11 -3.768 -11.612 -3.538 84 HE1 TYR 11 HE2 TYR 11 0.211 -14.501 -3.383 85 HE2 TYR 11 HE1 TYR 11 -2.360 -11.863 -5.536 86 HH TYR 11 HH TYR 11 0.106 -12.453 -5.979 87 H TYR 12 HN TYR 12 -3.522 -9.300 0.071 88 HA TYR 12 HA TYR 12 -5.481 -9.743 2.212 89 HB2 TYR 12 HB2 TYR 12 -3.901 -7.333 1.344 90 HB3 TYR 12 HB1 TYR 12 -5.338 -7.166 2.347 91 HD1 TYR 12 HD2 TYR 12 -5.376 -8.626 4.518 92 HD2 TYR 12 HD1 TYR 12 -1.840 -7.648 2.365 93 HE1 TYR 12 HE2 TYR 12 -4.038 -9.055 6.535 94 HE2 TYR 12 HE1 TYR 12 -0.494 -8.078 4.375 95 HH TYR 12 HH TYR 12 -1.701 -9.659 7.108 96 H THR 13 HN THR 13 -7.499 -8.636 2.146 97 HA THR 13 HA THR 13 -8.653 -8.599 -0.499 98 HB THR 13 HB THR 13 -10.596 -7.808 1.346 99 HG1 THR 13 HG1 THR 13 -10.163 -9.688 2.891 100 HG21 THR 13 HG21 THR 13 -11.408 -10.133 1.085 101 HG22 THR 13 HG22 THR 13 -9.867 -10.565 0.341 102 HG23 THR 13 HG23 THR 13 -10.938 -9.408 -0.455 103 H LEU 14 HN LEU 14 -10.000 -6.791 -1.242 104 HA LEU 14 HA LEU 14 -8.649 -4.324 -1.134 105 HB2 LEU 14 HB2 LEU 14 -10.158 -5.184 -2.981 106 HB3 LEU 14 HB1 LEU 14 -11.517 -4.736 -1.969 107 HG LEU 14 HG LEU 14 -10.466 -2.374 -1.974 108 HD11 LEU 14 HD11 LEU 14 -9.108 -1.820 -3.874 109 HD12 LEU 14 HD12 LEU 14 -9.181 -3.484 -4.464 110 HD13 LEU 14 HD13 LEU 14 -8.320 -3.116 -2.968 111 HD21 LEU 14 HD21 LEU 14 -11.624 -1.832 -4.068 112 HD22 LEU 14 HD22 LEU 14 -12.565 -2.923 -3.052 113 HD23 LEU 14 HD23 LEU 14 -11.706 -3.550 -4.457 114 H GLU 15 HN GLU 15 -11.426 -5.583 0.595 115 HA GLU 15 HA GLU 15 -12.061 -3.061 1.840 116 HB2 GLU 15 HB2 GLU 15 -13.677 -4.410 3.166 117 HB3 GLU 15 HB1 GLU 15 -13.867 -4.608 1.431 118 HG2 GLU 15 HG2 GLU 15 -12.163 -6.553 2.892 119 HG3 GLU 15 HG1 GLU 15 -13.913 -6.659 3.077 120 H GLU 16 HN GLU 16 -9.533 -5.033 2.263 121 HA GLU 16 HA GLU 16 -9.464 -4.749 5.185 122 HB2 GLU 16 HB2 GLU 16 -9.108 -7.018 4.338 123 HB3 GLU 16 HB1 GLU 16 -7.779 -6.450 3.339 124 HG2 GLU 16 HG2 GLU 16 -7.023 -7.597 5.367 125 HG3 GLU 16 HG1 GLU 16 -6.475 -5.924 5.292 126 H ILE 17 HN ILE 17 -7.535 -4.188 2.261 127 HA ILE 17 HA ILE 17 -5.346 -2.974 3.526 128 HB ILE 17 HB ILE 17 -4.960 -1.885 1.251 129 HG12 ILE 17 HG12 ILE 17 -6.881 -3.828 0.104 130 HG13 ILE 17 HG11 ILE 17 -7.581 -2.379 0.815 131 HG21 ILE 17 HG21 ILE 17 -4.330 -4.068 0.241 132 HG22 ILE 17 HG22 ILE 17 -5.209 -4.875 1.540 133 HG23 ILE 17 HG23 ILE 17 -3.802 -3.878 1.914 134 HD11 ILE 17 HD11 ILE 17 -6.154 -1.009 -0.636 135 HD12 ILE 17 HD12 ILE 17 -7.237 -2.062 -1.543 136 HD13 ILE 17 HD13 ILE 17 -5.531 -2.481 -1.382 137 H LYS 18 HN LYS 18 -8.303 -1.509 2.191 138 HA LYS 18 HA LYS 18 -7.392 1.159 2.842 139 HB2 LYS 18 HB2 LYS 18 -9.561 1.897 1.969 140 HB3 LYS 18 HB1 LYS 18 -8.738 0.834 0.837 141 HG2 LYS 18 HG2 LYS 18 -10.186 -0.967 1.331 142 HG3 LYS 18 HG1 LYS 18 -10.857 -0.133 2.734 143 HD2 LYS 18 HD2 LYS 18 -12.372 -0.093 0.786 144 HD3 LYS 18 HD1 LYS 18 -11.892 1.520 1.312 145 HE2 LYS 18 HE2 LYS 18 -10.180 1.554 -0.472 146 HE3 LYS 18 HE1 LYS 18 -10.753 -0.022 -1.024 147 HZ1 LYS 18 HZ1 LYS 18 -12.759 0.882 -1.728 148 HZ2 LYS 18 HZ2 LYS 18 -11.630 2.050 -2.189 149 HZ3 LYS 18 HZ3 LYS 18 -12.580 2.290 -0.813 150 H LYS 19 HN LYS 19 -8.249 -1.152 4.818 151 HA LYS 19 HA LYS 19 -9.847 0.615 6.553 152 HB2 LYS 19 HB2 LYS 19 -10.345 -2.059 5.696 153 HB3 LYS 19 HB1 LYS 19 -10.014 -2.093 7.421 154 HG2 LYS 19 HG2 LYS 19 -12.348 -1.859 7.184 155 HG3 LYS 19 HG1 LYS 19 -11.731 -0.286 7.687 156 HD2 LYS 19 HD2 LYS 19 -12.094 0.666 5.605 157 HD3 LYS 19 HD1 LYS 19 -12.089 -0.892 4.778 158 HE2 LYS 19 HE2 LYS 19 -14.338 0.133 4.914 159 HE3 LYS 19 HE1 LYS 19 -14.244 -1.444 5.692 160 HZ1 LYS 19 HZ1 LYS 19 -15.490 0.140 7.024 161 HZ2 LYS 19 HZ2 LYS 19 -14.152 1.172 7.094 162 HZ3 LYS 19 HZ3 LYS 19 -14.086 -0.347 7.834 163 H HIS 20 HN HIS 20 -6.927 -0.978 6.081 164 HA HIS 20 HA HIS 20 -6.320 -1.247 8.912 165 HB2 HIS 20 HB2 HIS 20 -5.521 -2.654 6.656 166 HB3 HIS 20 HB1 HIS 20 -4.094 -1.722 7.100 167 HD1 HIS 20 HD1 HIS 20 -6.142 -4.635 8.102 168 HD2 HIS 20 HD2 HIS 20 -3.064 -2.328 9.711 169 HE1 HIS 20 HE1 HIS 20 -5.241 -5.949 10.050 170 HE2 HIS 20 HE2 HIS 20 -3.428 -4.514 11.049 171 H ASN 21 HN ASN 21 -5.652 0.904 6.251 172 HA ASN 21 HA ASN 21 -3.358 2.138 7.397 173 HB2 ASN 21 HB2 ASN 21 -3.721 3.920 5.731 174 HB3 ASN 21 HB1 ASN 21 -3.790 2.318 5.006 175 HD21 ASN 21 HD21 ASN 21 -5.292 5.270 5.294 176 HD22 ASN 21 HD22 ASN 21 -6.830 4.851 4.629 177 H HIS 22 HN HIS 22 -3.271 3.364 9.119 178 HA HIS 22 HA HIS 22 -5.413 5.264 9.686 179 HB2 HIS 22 HB2 HIS 22 -4.483 3.121 11.600 180 HB3 HIS 22 HB1 HIS 22 -5.280 4.588 12.152 181 HD1 HIS 22 HD1 HIS 22 -7.826 4.834 11.585 182 HD2 HIS 22 HD2 HIS 22 -6.141 1.214 10.438 183 HE1 HIS 22 HE1 HIS 22 -9.763 3.320 11.070 184 HE2 HIS 22 HE2 HIS 22 -8.716 1.195 10.207 185 H SER 23 HN SER 23 -2.507 4.018 11.342 186 HA SER 23 HA SER 23 -1.137 6.538 10.924 187 HB2 SER 23 HB2 SER 23 -0.657 6.620 13.470 188 HB3 SER 23 HB1 SER 23 -2.222 7.207 12.903 189 HG SER 23 HG SER 23 -3.146 5.693 14.018 190 H LYS 24 HN LYS 24 -1.002 3.663 13.006 191 HA LYS 24 HA LYS 24 1.823 3.302 12.319 192 HB2 LYS 24 HB2 LYS 24 1.821 1.683 14.197 193 HB3 LYS 24 HB1 LYS 24 1.327 3.296 14.687 194 HG2 LYS 24 HG2 LYS 24 -0.988 2.622 14.731 195 HG3 LYS 24 HG1 LYS 24 -0.569 1.029 14.100 196 HD2 LYS 24 HD2 LYS 24 -0.905 0.846 16.465 197 HD3 LYS 24 HD1 LYS 24 0.819 0.664 16.132 198 HE2 LYS 24 HE2 LYS 24 1.045 3.127 16.644 199 HE3 LYS 24 HE1 LYS 24 -0.614 3.072 17.230 200 HZ1 LYS 24 HZ1 LYS 24 -0.028 1.660 18.967 201 HZ2 LYS 24 HZ2 LYS 24 1.232 2.786 18.918 202 HZ3 LYS 24 HZ3 LYS 24 1.455 1.242 18.270 203 H SER 25 HN SER 25 -0.572 2.665 10.633 204 HA SER 25 HA SER 25 0.312 0.046 9.779 205 HB2 SER 25 HB2 SER 25 -2.227 -0.578 9.605 206 HB3 SER 25 HB1 SER 25 -1.385 -0.786 11.140 207 HG SER 25 HG SER 25 -3.523 0.715 10.597 208 H THR 26 HN THR 26 0.492 2.728 8.796 209 HA THR 26 HA THR 26 -1.430 3.170 6.731 210 HB THR 26 HB THR 26 1.331 4.363 7.040 211 HG1 THR 26 HG1 THR 26 0.486 5.349 8.704 212 HG21 THR 26 HG21 THR 26 0.428 6.227 5.745 213 HG22 THR 26 HG22 THR 26 -1.120 5.395 5.603 214 HG23 THR 26 HG23 THR 26 0.315 4.725 4.826 215 H TRP 27 HN TRP 27 -1.580 1.606 5.232 216 HA TRP 27 HA TRP 27 0.875 0.651 3.937 217 HB2 TRP 27 HB2 TRP 27 -1.913 -0.498 4.092 218 HB3 TRP 27 HB1 TRP 27 -0.691 -1.117 2.987 219 HD1 TRP 27 HD1 TRP 27 1.502 -0.476 5.601 220 HE1 TRP 27 HE1 TRP 27 1.751 -2.410 7.276 221 HE3 TRP 27 HE3 TRP 27 -2.737 -3.077 4.431 222 HZ2 TRP 27 HZ2 TRP 27 0.324 -4.742 7.994 223 HZ3 TRP 27 HZ3 TRP 27 -3.224 -5.149 5.660 224 HH2 TRP 27 HH2 TRP 27 -1.726 -5.964 7.404 225 H LEU 28 HN LEU 28 1.200 0.886 1.778 226 HA LEU 28 HA LEU 28 -0.839 2.410 0.289 227 HB2 LEU 28 HB2 LEU 28 1.838 3.121 0.870 228 HB3 LEU 28 HB1 LEU 28 1.781 2.724 -0.837 229 HG LEU 28 HG LEU 28 -0.349 4.527 0.161 230 HD11 LEU 28 HD11 LEU 28 1.528 5.439 1.363 231 HD12 LEU 28 HD12 LEU 28 1.157 6.485 -0.006 232 HD13 LEU 28 HD13 LEU 28 2.531 5.383 -0.084 233 HD21 LEU 28 HD21 LEU 28 0.152 5.637 -1.998 234 HD22 LEU 28 HD22 LEU 28 -0.274 3.933 -2.167 235 HD23 LEU 28 HD23 LEU 28 1.414 4.437 -2.282 236 H ILE 29 HN ILE 29 -1.277 1.734 -1.795 237 HA ILE 29 HA ILE 29 -0.137 -0.883 -2.458 238 HB ILE 29 HB ILE 29 -2.784 0.366 -3.185 239 HG12 ILE 29 HG12 ILE 29 -3.500 -1.941 -2.196 240 HG13 ILE 29 HG11 ILE 29 -1.885 -1.949 -1.498 241 HG21 ILE 29 HG21 ILE 29 -3.266 -1.662 -4.487 242 HG22 ILE 29 HG22 ILE 29 -1.603 -2.201 -4.246 243 HG23 ILE 29 HG23 ILE 29 -1.929 -0.737 -5.172 244 HD11 ILE 29 HD11 ILE 29 -3.952 0.197 -1.065 245 HD12 ILE 29 HD12 ILE 29 -2.359 0.104 -0.313 246 HD13 ILE 29 HD13 ILE 29 -3.580 -1.111 0.055 247 H LEU 30 HN LEU 30 1.241 -0.995 -4.031 248 HA LEU 30 HA LEU 30 1.059 0.885 -6.288 249 HB2 LEU 30 HB2 LEU 30 3.623 -0.098 -5.017 250 HB3 LEU 30 HB1 LEU 30 3.491 1.002 -6.377 251 HG LEU 30 HG LEU 30 2.448 1.653 -3.623 252 HD11 LEU 30 HD11 LEU 30 4.467 3.054 -3.408 253 HD12 LEU 30 HD12 LEU 30 5.097 2.321 -4.883 254 HD13 LEU 30 HD13 LEU 30 4.829 1.329 -3.448 255 HD21 LEU 30 HD21 LEU 30 1.436 2.923 -5.437 256 HD22 LEU 30 HD22 LEU 30 3.037 3.352 -6.040 257 HD23 LEU 30 HD23 LEU 30 2.499 3.949 -4.471 258 H HIS 31 HN HIS 31 0.969 -0.133 -8.189 259 HA HIS 31 HA HIS 31 0.992 -1.774 -9.770 260 HB2 HIS 31 HB2 HIS 31 3.231 -2.795 -8.021 261 HB3 HIS 31 HB1 HIS 31 2.715 -3.650 -9.469 262 HD1 HIS 31 HD1 HIS 31 2.970 -2.238 -11.759 263 HD2 HIS 31 HD2 HIS 31 5.029 -0.789 -8.453 264 HE1 HIS 31 HE1 HIS 31 4.712 -0.682 -12.680 265 HE2 HIS 31 HE2 HIS 31 6.091 -0.018 -10.684 266 H HIS 32 HN HIS 32 -0.710 -1.835 -7.428 267 HA HIS 32 HA HIS 32 -2.343 -3.096 -6.509 268 HB2 HIS 32 HB2 HIS 32 -1.527 -4.918 -8.751 269 HB3 HIS 32 HB1 HIS 32 -2.759 -5.400 -7.591 270 HD1 HIS 32 HD1 HIS 32 -2.701 -4.231 -10.820 271 HD2 HIS 32 HD2 HIS 32 -4.645 -2.852 -7.414 272 HE1 HIS 32 HE1 HIS 32 -4.631 -2.853 -11.655 273 HE2 HIS 32 HE2 HIS 32 -5.676 -1.879 -9.581 274 H LYS 33 HN LYS 33 0.505 -3.263 -5.654 275 HA LYS 33 HA LYS 33 0.289 -5.752 -4.098 276 HB2 LYS 33 HB2 LYS 33 2.820 -4.286 -4.887 277 HB3 LYS 33 HB1 LYS 33 2.738 -5.772 -3.948 278 HG2 LYS 33 HG2 LYS 33 1.611 -6.837 -5.925 279 HG3 LYS 33 HG1 LYS 33 1.998 -5.379 -6.837 280 HD2 LYS 33 HD2 LYS 33 4.372 -5.743 -6.462 281 HD3 LYS 33 HD1 LYS 33 4.015 -7.159 -5.463 282 HE2 LYS 33 HE2 LYS 33 2.856 -8.138 -7.475 283 HE3 LYS 33 HE1 LYS 33 3.521 -6.807 -8.418 284 HZ1 LYS 33 HZ1 LYS 33 4.806 -8.963 -8.426 285 HZ2 LYS 33 HZ2 LYS 33 5.233 -8.624 -6.828 286 HZ3 LYS 33 HZ3 LYS 33 5.694 -7.569 -8.067 287 H VAL 34 HN VAL 34 0.822 -5.616 -1.872 288 HA VAL 34 HA VAL 34 0.264 -2.971 -0.780 289 HB VAL 34 HB VAL 34 0.464 -5.541 0.779 290 HG11 VAL 34 HG11 VAL 34 -0.992 -4.369 2.358 291 HG12 VAL 34 HG12 VAL 34 -0.994 -2.954 1.308 292 HG13 VAL 34 HG13 VAL 34 0.502 -3.473 2.083 293 HG21 VAL 34 HG21 VAL 34 -1.153 -5.835 -1.049 294 HG22 VAL 34 HG22 VAL 34 -1.996 -4.379 -0.527 295 HG23 VAL 34 HG23 VAL 34 -1.948 -5.790 0.523 296 H TYR 35 HN TYR 35 1.792 -1.704 -0.032 297 HA TYR 35 HA TYR 35 4.311 -2.914 0.912 298 HB2 TYR 35 HB2 TYR 35 3.868 -0.268 -0.487 299 HB3 TYR 35 HB1 TYR 35 5.393 -0.757 0.239 300 HD1 TYR 35 HD2 TYR 35 6.717 -2.573 -0.749 301 HD2 TYR 35 HD1 TYR 35 3.152 -1.174 -2.594 302 HE1 TYR 35 HE2 TYR 35 7.371 -3.690 -2.840 303 HE2 TYR 35 HE1 TYR 35 3.794 -2.282 -4.691 304 HH TYR 35 HH TYR 35 6.209 -4.601 -4.878 305 H ASP 36 HN ASP 36 4.918 -2.472 2.942 306 HA ASP 36 HA ASP 36 3.246 -0.674 4.527 307 HB2 ASP 36 HB2 ASP 36 3.805 -2.999 5.332 308 HB3 ASP 36 HB1 ASP 36 5.477 -2.476 5.498 309 H LEU 37 HN LEU 37 3.844 1.369 4.602 310 HA LEU 37 HA LEU 37 6.693 1.990 4.981 311 HB2 LEU 37 HB2 LEU 37 6.647 3.759 3.458 312 HB3 LEU 37 HB1 LEU 37 5.775 2.483 2.639 313 HG LEU 37 HG LEU 37 4.395 4.722 4.118 314 HD11 LEU 37 HD11 LEU 37 5.044 4.527 1.182 315 HD12 LEU 37 HD12 LEU 37 5.767 5.654 2.329 316 HD13 LEU 37 HD13 LEU 37 4.049 5.768 1.944 317 HD21 LEU 37 HD21 LEU 37 2.500 4.055 2.643 318 HD22 LEU 37 HD22 LEU 37 2.973 2.817 3.806 319 HD23 LEU 37 HD23 LEU 37 3.458 2.671 2.117 320 H THR 38 HN THR 38 4.340 1.633 6.752 321 HA THR 38 HA THR 38 3.361 4.121 7.621 322 HB THR 38 HB THR 38 2.478 1.736 8.110 323 HG1 THR 38 HG1 THR 38 2.519 3.883 9.976 324 HG21 THR 38 HG21 THR 38 4.268 2.115 10.510 325 HG22 THR 38 HG22 THR 38 4.519 0.916 9.242 326 HG23 THR 38 HG23 THR 38 3.092 0.823 10.275 327 H LYS 39 HN LYS 39 6.394 2.587 8.159 328 HA LYS 39 HA LYS 39 6.987 4.553 10.270 329 HB2 LYS 39 HB2 LYS 39 8.148 1.827 9.726 330 HB3 LYS 39 HB1 LYS 39 8.966 2.999 10.748 331 HG2 LYS 39 HG2 LYS 39 6.190 1.926 11.220 332 HG3 LYS 39 HG1 LYS 39 7.652 1.373 12.038 333 HD2 LYS 39 HD2 LYS 39 7.977 3.545 13.028 334 HD3 LYS 39 HD1 LYS 39 6.629 4.209 12.108 335 HE2 LYS 39 HE2 LYS 39 5.122 2.607 13.275 336 HE3 LYS 39 HE1 LYS 39 6.490 2.118 14.275 337 HZ1 LYS 39 HZ1 LYS 39 6.663 4.359 15.103 338 HZ2 LYS 39 HZ2 LYS 39 5.093 3.787 15.351 339 HZ3 LYS 39 HZ3 LYS 39 5.405 4.873 14.097 340 H PHE 40 HN PHE 40 7.086 4.538 7.191 341 HA PHE 40 HA PHE 40 9.818 5.634 6.993 342 HB2 PHE 40 HB2 PHE 40 9.289 3.440 5.722 343 HB3 PHE 40 HB1 PHE 40 8.333 4.457 4.653 344 HD1 PHE 40 HD1 PHE 40 11.752 4.097 6.058 345 HD2 PHE 40 HD2 PHE 40 9.339 5.517 2.849 346 HE1 PHE 40 HE1 PHE 40 13.780 4.641 4.775 347 HE2 PHE 40 HE2 PHE 40 11.363 6.062 1.562 348 HZ PHE 40 HZ PHE 40 13.588 5.625 2.526 349 H LEU 41 HN LEU 41 6.726 6.475 7.219 350 HA LEU 41 HA LEU 41 6.134 8.130 5.052 351 HB2 LEU 41 HB2 LEU 41 5.329 8.522 7.935 352 HB3 LEU 41 HB1 LEU 41 4.548 9.239 6.541 353 HG LEU 41 HG LEU 41 4.671 6.263 7.017 354 HD11 LEU 41 HD11 LEU 41 3.446 7.323 8.834 355 HD12 LEU 41 HD12 LEU 41 2.346 6.452 7.761 356 HD13 LEU 41 HD13 LEU 41 2.463 8.210 7.668 357 HD21 LEU 41 HD21 LEU 41 2.993 7.968 5.180 358 HD22 LEU 41 HD22 LEU 41 2.843 6.224 5.388 359 HD23 LEU 41 HD23 LEU 41 4.316 6.904 4.699 360 H GLU 42 HN GLU 42 7.689 8.940 8.140 361 HA GLU 42 HA GLU 42 8.129 11.671 7.345 362 HB2 GLU 42 HB2 GLU 42 9.288 11.881 9.491 363 HB3 GLU 42 HB1 GLU 42 7.718 11.112 9.687 364 HG2 GLU 42 HG2 GLU 42 9.115 8.911 9.463 365 HG3 GLU 42 HG1 GLU 42 10.443 9.958 9.958 366 H GLU 43 HN GLU 43 9.743 8.751 6.792 367 HA GLU 43 HA GLU 43 12.347 10.062 6.483 368 HB2 GLU 43 HB2 GLU 43 11.534 7.158 6.474 369 HB3 GLU 43 HB1 GLU 43 13.155 7.703 6.066 370 HG2 GLU 43 HG2 GLU 43 13.165 8.846 8.337 371 HG3 GLU 43 HG1 GLU 43 11.736 7.879 8.697 372 H HIS 44 HN HIS 44 9.752 9.960 4.740 373 HA HIS 44 HA HIS 44 10.898 9.038 2.232 374 HB2 HIS 44 HB2 HIS 44 8.549 8.477 2.799 375 HB3 HIS 44 HB1 HIS 44 8.159 10.194 2.814 376 HD1 HIS 44 HD1 HIS 44 7.079 10.931 0.705 377 HD2 HIS 44 HD2 HIS 44 9.719 7.765 0.086 378 HE1 HIS 44 HE1 HIS 44 6.974 10.384 -1.760 379 HA PRO 45 HA PRO 45 12.287 13.211 1.421 380 HB2 PRO 45 HB2 PRO 45 13.311 12.759 -1.034 381 HB3 PRO 45 HB1 PRO 45 14.109 12.193 0.441 382 HG2 PRO 45 HG2 PRO 45 12.395 10.669 -1.468 383 HG3 PRO 45 HG1 PRO 45 13.914 10.187 -0.687 384 HD2 PRO 45 HD2 PRO 45 11.482 9.381 0.200 385 HD3 PRO 45 HD1 PRO 45 12.879 9.604 1.272 386 H GLY 46 HN GLY 46 9.504 12.716 1.039 387 HA2 GLY 46 HA2 GLY 46 9.009 14.637 -1.077 388 HA3 GLY 46 HA1 GLY 46 8.301 13.051 -1.337 389 H GLY 47 HN GLY 47 8.583 14.020 1.929 390 HA2 GLY 47 HA2 GLY 47 7.051 15.045 3.373 391 HA3 GLY 47 HA1 GLY 47 5.957 15.258 2.013 392 H GLU 48 HN GLU 48 4.872 14.446 4.339 393 HA GLU 48 HA GLU 48 4.495 11.545 4.018 394 HB2 GLU 48 HB2 GLU 48 3.536 11.702 6.377 395 HB3 GLU 48 HB1 GLU 48 5.271 11.920 6.208 396 HG2 GLU 48 HG2 GLU 48 5.091 14.272 6.493 397 HG3 GLU 48 HG1 GLU 48 3.335 14.213 6.354 398 H GLU 49 HN GLU 49 2.997 14.555 3.610 399 HA GLU 49 HA GLU 49 0.304 13.892 4.164 400 HB2 GLU 49 HB2 GLU 49 1.382 16.214 3.773 401 HB3 GLU 49 HB1 GLU 49 1.106 15.887 2.070 402 HG2 GLU 49 HG2 GLU 49 -0.691 17.218 3.000 403 HG3 GLU 49 HG1 GLU 49 -1.278 15.631 2.500 404 H VAL 50 HN VAL 50 2.221 13.796 1.191 405 HA VAL 50 HA VAL 50 0.108 13.001 -0.504 406 HB VAL 50 HB VAL 50 1.889 12.259 -2.077 407 HG11 VAL 50 HG11 VAL 50 2.897 14.505 -2.377 408 HG12 VAL 50 HG12 VAL 50 2.221 14.977 -0.818 409 HG13 VAL 50 HG13 VAL 50 1.148 14.544 -2.149 410 HG21 VAL 50 HG21 VAL 50 4.246 12.743 -1.476 411 HG22 VAL 50 HG22 VAL 50 3.543 11.434 -0.527 412 HG23 VAL 50 HG23 VAL 50 3.731 13.036 0.185 413 H LEU 51 HN LEU 51 2.021 11.257 1.767 414 HA LEU 51 HA LEU 51 1.451 8.672 0.590 415 HB2 LEU 51 HB2 LEU 51 2.714 9.324 3.251 416 HB3 LEU 51 HB1 LEU 51 2.714 7.765 2.451 417 HG LEU 51 HG LEU 51 4.085 10.240 1.395 418 HD11 LEU 51 HD11 LEU 51 5.205 7.816 2.787 419 HD12 LEU 51 HD12 LEU 51 5.159 9.460 3.417 420 HD13 LEU 51 HD13 LEU 51 6.159 9.082 2.016 421 HD21 LEU 51 HD21 LEU 51 4.185 7.369 0.471 422 HD22 LEU 51 HD22 LEU 51 5.139 8.701 -0.182 423 HD23 LEU 51 HD23 LEU 51 3.385 8.700 -0.367 424 H ARG 52 HN ARG 52 0.380 10.607 3.344 425 HA ARG 52 HA ARG 52 -1.196 8.538 4.493 426 HB2 ARG 52 HB2 ARG 52 -2.012 10.171 6.019 427 HB3 ARG 52 HB1 ARG 52 -0.321 10.542 5.727 428 HG2 ARG 52 HG2 ARG 52 -1.038 12.634 5.444 429 HG3 ARG 52 HG1 ARG 52 -1.557 12.084 3.851 430 HD2 ARG 52 HD2 ARG 52 -3.355 13.275 4.965 431 HD3 ARG 52 HD1 ARG 52 -3.779 11.579 4.754 432 HE ARG 52 HE ARG 52 -3.771 11.301 7.037 433 HH11 ARG 52 HH11 ARG 52 -2.457 14.482 6.194 434 HH12 ARG 52 HH12 ARG 52 -2.437 15.033 7.918 435 HH21 ARG 52 HH21 ARG 52 -3.795 12.002 9.204 436 HH22 ARG 52 HH22 ARG 52 -3.182 13.655 9.592 437 H GLU 53 HN GLU 53 -1.793 10.824 1.942 438 HA GLU 53 HA GLU 53 -4.662 10.532 2.088 439 HB2 GLU 53 HB2 GLU 53 -4.661 11.859 -0.019 440 HB3 GLU 53 HB1 GLU 53 -3.816 12.644 1.306 441 HG2 GLU 53 HG2 GLU 53 -1.786 12.463 0.309 442 HG3 GLU 53 HG1 GLU 53 -2.220 10.994 -0.565 443 H GLN 54 HN GLN 54 -2.032 9.263 0.118 444 HA GLN 54 HA GLN 54 -3.802 7.827 -1.645 445 HB2 GLN 54 HB2 GLN 54 -0.806 7.871 -1.317 446 HB3 GLN 54 HB1 GLN 54 -1.622 6.815 -2.462 447 HG2 GLN 54 HG2 GLN 54 -1.697 9.828 -2.443 448 HG3 GLN 54 HG1 GLN 54 -0.807 8.806 -3.568 449 HE21 GLN 54 HE21 GLN 54 -3.801 10.241 -2.797 450 HE22 GLN 54 HE22 GLN 54 -4.703 9.638 -4.144 451 H ALA 55 HN ALA 55 -2.614 7.310 1.439 452 HA ALA 55 HA ALA 55 -2.055 4.584 1.525 453 HB1 ALA 55 HB1 ALA 55 -3.362 6.250 3.667 454 HB2 ALA 55 HB2 ALA 55 -1.626 6.138 3.374 455 HB3 ALA 55 HB3 ALA 55 -2.526 4.715 3.896 456 H GLY 56 HN GLY 56 -3.264 2.763 1.752 457 HA2 GLY 56 HA2 GLY 56 -5.179 1.468 2.041 458 HA3 GLY 56 HA1 GLY 56 -6.135 2.937 2.137 459 H GLY 57 HN GLY 57 -4.401 3.509 -0.503 460 HA2 GLY 57 HA2 GLY 57 -6.139 1.946 -2.290 461 HA3 GLY 57 HA1 GLY 57 -6.032 3.691 -2.463 462 H ASP 58 HN ASP 58 -5.477 2.394 -4.643 463 HA ASP 58 HA ASP 58 -2.662 1.753 -4.827 464 HB2 ASP 58 HB2 ASP 58 -4.363 0.508 -6.148 465 HB3 ASP 58 HB1 ASP 58 -4.745 1.991 -7.015 466 H ALA 59 HN ALA 59 -1.098 3.121 -5.375 467 HA ALA 59 HA ALA 59 -1.865 5.722 -6.537 468 HB1 ALA 59 HB1 ALA 59 -1.167 5.837 -4.141 469 HB2 ALA 59 HB2 ALA 59 -0.187 6.812 -5.235 470 HB3 ALA 59 HB3 ALA 59 0.426 5.271 -4.637 471 H THR 60 HN THR 60 -0.999 3.218 -7.839 472 HA THR 60 HA THR 60 1.696 3.326 -8.621 473 HB THR 60 HB THR 60 -0.566 2.329 -10.352 474 HG1 THR 60 HG1 THR 60 -0.930 1.270 -8.487 475 HG21 THR 60 HG21 THR 60 2.303 1.423 -10.047 476 HG22 THR 60 HG22 THR 60 1.665 2.371 -11.389 477 HG23 THR 60 HG23 THR 60 1.103 0.721 -11.130 478 H GLU 61 HN GLU 61 -1.143 4.996 -9.785 479 HA GLU 61 HA GLU 61 -0.216 5.967 -12.223 480 HB2 GLU 61 HB2 GLU 61 -1.797 7.980 -11.528 481 HB3 GLU 61 HB1 GLU 61 -2.447 6.408 -11.973 482 HG2 GLU 61 HG2 GLU 61 -2.730 5.810 -9.669 483 HG3 GLU 61 HG1 GLU 61 -1.912 7.279 -9.144 484 H ASN 62 HN ASN 62 0.267 7.176 -8.952 485 HA ASN 62 HA ASN 62 1.658 9.550 -9.824 486 HB2 ASN 62 HB2 ASN 62 0.278 9.129 -7.616 487 HB3 ASN 62 HB1 ASN 62 1.808 8.495 -7.022 488 HD21 ASN 62 HD21 ASN 62 -0.020 11.279 -7.735 489 HD22 ASN 62 HD22 ASN 62 1.174 12.460 -7.312 490 H PHE 63 HN PHE 63 2.455 6.402 -8.491 491 HA PHE 63 HA PHE 63 5.164 6.708 -7.981 492 HB2 PHE 63 HB2 PHE 63 3.698 4.751 -7.390 493 HB3 PHE 63 HB1 PHE 63 3.839 4.213 -9.058 494 HD1 PHE 63 HD2 PHE 63 5.553 4.613 -5.867 495 HD2 PHE 63 HD1 PHE 63 5.891 3.251 -9.880 496 HE1 PHE 63 HE2 PHE 63 7.592 3.382 -5.268 497 HE2 PHE 63 HE1 PHE 63 7.931 2.007 -9.289 498 HZ PHE 63 HZ PHE 63 8.786 2.073 -6.980 499 H GLU 64 HN GLU 64 3.592 5.596 -10.974 500 HA GLU 64 HA GLU 64 6.042 5.329 -12.411 501 HB2 GLU 64 HB2 GLU 64 4.578 5.015 -14.381 502 HB3 GLU 64 HB1 GLU 64 4.116 3.994 -13.027 503 HG2 GLU 64 HG2 GLU 64 2.350 5.631 -12.458 504 HG3 GLU 64 HG1 GLU 64 2.774 6.537 -13.907 505 H ASP 65 HN ASP 65 3.801 7.922 -11.880 506 HA ASP 65 HA ASP 65 4.566 9.537 -14.094 507 HB2 ASP 65 HB2 ASP 65 2.423 9.848 -12.948 508 HB3 ASP 65 HB1 ASP 65 3.267 10.314 -11.474 509 H VAL 66 HN VAL 66 5.468 9.511 -10.667 510 HA VAL 66 HA VAL 66 7.277 11.681 -10.820 511 HB VAL 66 HB VAL 66 7.118 9.400 -8.845 512 HG11 VAL 66 HG11 VAL 66 9.380 10.458 -8.937 513 HG12 VAL 66 HG12 VAL 66 8.556 10.664 -7.392 514 HG13 VAL 66 HG13 VAL 66 8.620 12.000 -8.541 515 HG21 VAL 66 HG21 VAL 66 5.149 10.886 -8.948 516 HG22 VAL 66 HG22 VAL 66 6.200 12.266 -8.626 517 HG23 VAL 66 HG23 VAL 66 6.003 11.002 -7.410 518 H GLY 67 HN GLY 67 7.782 8.165 -10.873 519 HA2 GLY 67 HA2 GLY 67 9.409 7.026 -12.124 520 HA3 GLY 67 HA1 GLY 67 10.195 8.564 -12.455 521 H HIS 68 HN HIS 68 9.801 5.979 -10.140 522 HA HIS 68 HA HIS 68 11.704 7.079 -8.281 523 HB2 HIS 68 HB2 HIS 68 10.235 4.460 -8.484 524 HB3 HIS 68 HB1 HIS 68 11.527 4.682 -7.310 525 HD1 HIS 68 HD1 HIS 68 8.486 6.822 -8.260 526 HD2 HIS 68 HD2 HIS 68 10.415 5.229 -4.937 527 HE1 HIS 68 HE1 HIS 68 7.201 7.625 -6.241 528 H SER 69 HN SER 69 13.832 6.403 -7.969 529 HA SER 69 HA SER 69 15.249 5.632 -10.276 530 HB2 SER 69 HB2 SER 69 16.245 5.517 -7.426 531 HB3 SER 69 HB1 SER 69 17.208 5.707 -8.892 532 HG SER 69 HG SER 69 15.717 7.573 -7.475 533 H THR 70 HN THR 70 16.633 3.759 -10.546 534 HA THR 70 HA THR 70 15.288 1.341 -10.404 535 HB THR 70 HB THR 70 18.205 1.094 -10.414 536 HG1 THR 70 HG1 THR 70 16.932 2.704 -12.400 537 HG21 THR 70 HG21 THR 70 16.029 0.473 -12.414 538 HG22 THR 70 HG22 THR 70 16.752 -0.655 -11.267 539 HG23 THR 70 HG23 THR 70 17.721 0.007 -12.584 540 H ASP 71 HN ASP 71 17.757 2.655 -8.210 541 HA ASP 71 HA ASP 71 17.950 0.310 -6.612 542 HB2 ASP 71 HB2 ASP 71 19.746 1.947 -6.616 543 HB3 ASP 71 HB1 ASP 71 18.664 3.179 -5.974 544 H ALA 72 HN ALA 72 15.943 3.171 -6.504 545 HA ALA 72 HA ALA 72 14.901 2.868 -3.909 546 HB1 ALA 72 HB1 ALA 72 13.672 4.202 -6.316 547 HB2 ALA 72 HB2 ALA 72 14.724 4.964 -5.119 548 HB3 ALA 72 HB3 ALA 72 13.122 4.388 -4.649 549 H ARG 73 HN ARG 73 13.657 1.775 -7.067 550 HA ARG 73 HA ARG 73 11.315 0.611 -5.971 551 HB2 ARG 73 HB2 ARG 73 11.096 -0.528 -8.170 552 HB3 ARG 73 HB1 ARG 73 11.306 1.211 -8.284 553 HG2 ARG 73 HG2 ARG 73 12.812 0.704 -9.856 554 HG3 ARG 73 HG1 ARG 73 13.877 0.351 -8.495 555 HD2 ARG 73 HD2 ARG 73 13.980 -1.495 -10.005 556 HD3 ARG 73 HD1 ARG 73 13.086 -2.011 -8.577 557 HE ARG 73 HE ARG 73 11.558 -1.091 -10.895 558 HH11 ARG 73 HH11 ARG 73 12.726 -3.757 -8.886 559 HH12 ARG 73 HH12 ARG 73 11.483 -4.905 -9.528 560 HH21 ARG 73 HH21 ARG 73 10.007 -2.542 -11.727 561 HH22 ARG 73 HH22 ARG 73 9.978 -4.230 -11.096 562 H GLU 74 HN GLU 74 14.560 -0.444 -6.010 563 HA GLU 74 HA GLU 74 13.873 -3.253 -5.736 564 HB2 GLU 74 HB2 GLU 74 16.503 -1.775 -5.643 565 HB3 GLU 74 HB1 GLU 74 16.367 -3.502 -5.334 566 HG2 GLU 74 HG2 GLU 74 15.686 -2.052 -7.882 567 HG3 GLU 74 HG1 GLU 74 17.040 -3.145 -7.607 568 H LEU 75 HN LEU 75 14.304 -0.508 -3.775 569 HA LEU 75 HA LEU 75 14.965 -1.923 -1.351 570 HB2 LEU 75 HB2 LEU 75 15.653 0.428 -1.763 571 HB3 LEU 75 HB1 LEU 75 13.966 0.907 -1.740 572 HG LEU 75 HG LEU 75 13.839 0.099 0.631 573 HD11 LEU 75 HD11 LEU 75 16.027 -0.122 1.815 574 HD12 LEU 75 HD12 LEU 75 16.811 -0.204 0.239 575 HD13 LEU 75 HD13 LEU 75 15.655 -1.445 0.710 576 HD21 LEU 75 HD21 LEU 75 15.011 2.032 1.564 577 HD22 LEU 75 HD22 LEU 75 14.113 2.458 0.108 578 HD23 LEU 75 HD23 LEU 75 15.863 2.255 0.037 579 H SER 76 HN SER 76 12.129 -0.951 -3.061 580 HA SER 76 HA SER 76 10.270 -1.047 -0.935 581 HB2 SER 76 HB2 SER 76 9.372 -1.758 -3.678 582 HB3 SER 76 HB1 SER 76 8.700 -0.594 -2.535 583 HG SER 76 HG SER 76 10.105 0.903 -3.200 584 H LYS 77 HN LYS 77 11.970 -3.503 -2.567 585 HA LYS 77 HA LYS 77 10.054 -5.590 -2.413 586 HB2 LYS 77 HB2 LYS 77 12.198 -5.523 -3.809 587 HB3 LYS 77 HB1 LYS 77 13.041 -5.983 -2.336 588 HG2 LYS 77 HG2 LYS 77 11.582 -7.988 -2.203 589 HG3 LYS 77 HG1 LYS 77 10.912 -7.554 -3.776 590 HD2 LYS 77 HD2 LYS 77 12.985 -7.883 -4.852 591 HD3 LYS 77 HD1 LYS 77 13.857 -7.925 -3.320 592 HE2 LYS 77 HE2 LYS 77 12.586 -9.997 -2.740 593 HE3 LYS 77 HE1 LYS 77 11.927 -9.985 -4.374 594 HZ1 LYS 77 HZ1 LYS 77 13.864 -11.449 -4.103 595 HZ2 LYS 77 HZ2 LYS 77 14.821 -10.103 -3.734 596 HZ3 LYS 77 HZ3 LYS 77 14.117 -10.246 -5.266 597 H THR 78 HN THR 78 11.875 -3.996 -0.029 598 HA THR 78 HA THR 78 11.720 -6.249 1.822 599 HB THR 78 HB THR 78 12.834 -3.499 2.386 600 HG1 THR 78 HG1 THR 78 14.847 -5.045 1.934 601 HG21 THR 78 HG21 THR 78 12.517 -4.835 4.373 602 HG22 THR 78 HG22 THR 78 14.241 -4.772 4.001 603 HG23 THR 78 HG23 THR 78 13.307 -6.220 3.618 604 H PHE 79 HN PHE 79 9.855 -3.629 0.839 605 HA PHE 79 HA PHE 79 8.557 -3.376 3.457 606 HB2 PHE 79 HB2 PHE 79 8.412 -1.614 1.008 607 HB3 PHE 79 HB1 PHE 79 7.439 -1.369 2.455 608 HD1 PHE 79 HD2 PHE 79 9.050 -1.532 4.692 609 HD2 PHE 79 HD1 PHE 79 10.183 -0.179 0.818 610 HE1 PHE 79 HE2 PHE 79 10.871 -0.209 5.690 611 HE2 PHE 79 HE1 PHE 79 12.001 1.144 1.805 612 HZ PHE 79 HZ PHE 79 12.349 1.134 4.241 613 H ILE 80 HN ILE 80 8.201 -5.103 0.651 614 HA ILE 80 HA ILE 80 5.306 -4.951 0.565 615 HB ILE 80 HB ILE 80 6.346 -5.181 -1.576 616 HG12 ILE 80 HG12 ILE 80 5.140 -7.850 -0.837 617 HG13 ILE 80 HG11 ILE 80 4.214 -6.400 -1.201 618 HG21 ILE 80 HG21 ILE 80 8.458 -6.157 -0.922 619 HG22 ILE 80 HG22 ILE 80 7.712 -7.118 -2.200 620 HG23 ILE 80 HG23 ILE 80 7.657 -7.680 -0.529 621 HD11 ILE 80 HD11 ILE 80 5.119 -6.391 -3.468 622 HD12 ILE 80 HD12 ILE 80 4.287 -7.904 -3.106 623 HD13 ILE 80 HD13 ILE 80 6.050 -7.844 -3.102 624 H ILE 81 HN ILE 81 4.059 -6.106 1.849 625 HA ILE 81 HA ILE 81 5.178 -8.533 3.065 626 HB ILE 81 HB ILE 81 3.605 -8.311 4.860 627 HG12 ILE 81 HG12 ILE 81 1.824 -7.215 3.287 628 HG13 ILE 81 HG11 ILE 81 1.838 -6.805 4.995 629 HG21 ILE 81 HG21 ILE 81 4.976 -5.694 4.279 630 HG22 ILE 81 HG22 ILE 81 5.677 -7.095 5.089 631 HG23 ILE 81 HG23 ILE 81 4.366 -6.197 5.855 632 HD11 ILE 81 HD11 ILE 81 3.016 -4.731 4.493 633 HD12 ILE 81 HD12 ILE 81 1.493 -4.842 3.612 634 HD13 ILE 81 HD13 ILE 81 3.018 -5.140 2.780 635 H GLY 82 HN GLY 82 2.912 -7.466 0.791 636 HA2 GLY 82 HA2 GLY 82 2.065 -10.086 0.176 637 HA3 GLY 82 HA1 GLY 82 0.809 -9.271 1.092 638 H GLU 83 HN GLU 83 -0.184 -9.892 -1.097 639 HA GLU 83 HA GLU 83 0.075 -7.568 -2.879 640 HB2 GLU 83 HB2 GLU 83 -0.364 -10.458 -3.634 641 HB3 GLU 83 HB1 GLU 83 -0.612 -9.118 -4.743 642 HG2 GLU 83 HG2 GLU 83 1.783 -8.484 -4.326 643 HG3 GLU 83 HG1 GLU 83 1.955 -10.027 -3.491 644 H LEU 84 HN LEU 84 -1.965 -7.436 -4.333 645 HA LEU 84 HA LEU 84 -4.239 -7.369 -2.558 646 HB2 LEU 84 HB2 LEU 84 -3.407 -5.739 -4.542 647 HB3 LEU 84 HB1 LEU 84 -4.556 -6.722 -5.430 648 HG LEU 84 HG LEU 84 -5.326 -4.481 -4.336 649 HD11 LEU 84 HD11 LEU 84 -7.576 -5.439 -3.966 650 HD12 LEU 84 HD12 LEU 84 -6.876 -7.051 -4.100 651 HD13 LEU 84 HD13 LEU 84 -6.840 -5.959 -5.482 652 HD21 LEU 84 HD21 LEU 84 -4.398 -5.246 -2.077 653 HD22 LEU 84 HD22 LEU 84 -5.816 -6.294 -1.993 654 HD23 LEU 84 HD23 LEU 84 -6.016 -4.547 -2.101 655 H HIS 85 HN HIS 85 -6.107 -8.507 -2.767 656 HA HIS 85 HA HIS 85 -6.111 -11.146 -3.500 657 HB2 HIS 85 HB2 HIS 85 -7.807 -9.680 -2.161 658 HB3 HIS 85 HB1 HIS 85 -8.608 -9.497 -3.714 659 HD1 HIS 85 HD1 HIS 85 -10.573 -10.941 -3.700 660 HD2 HIS 85 HD2 HIS 85 -7.284 -12.780 -1.927 661 HE1 HIS 85 HE1 HIS 85 -11.326 -13.273 -3.098 662 HE2 HIS 85 HE2 HIS 85 -9.392 -14.267 -1.826 663 HA PRO 86 HA PRO 86 -6.017 -11.061 -7.975 664 HB2 PRO 86 HB2 PRO 86 -7.002 -13.612 -8.366 665 HB3 PRO 86 HB1 PRO 86 -5.308 -13.232 -8.017 666 HG2 PRO 86 HG2 PRO 86 -7.441 -14.168 -6.161 667 HG3 PRO 86 HG1 PRO 86 -5.727 -14.620 -6.225 668 HD2 PRO 86 HD2 PRO 86 -6.642 -12.901 -4.388 669 HD3 PRO 86 HD1 PRO 86 -5.037 -12.703 -5.125 670 H ASP 87 HN ASP 87 -8.870 -12.336 -6.305 671 HA ASP 87 HA ASP 87 -10.634 -12.007 -8.513 672 HB2 ASP 87 HB2 ASP 87 -11.277 -12.253 -5.562 673 HB3 ASP 87 HB1 ASP 87 -12.421 -12.451 -6.884 674 H ASP 88 HN ASP 88 -9.146 -9.788 -6.554 675 HA ASP 88 HA ASP 88 -11.325 -7.828 -6.804 676 HB2 ASP 88 HB2 ASP 88 -8.918 -7.887 -4.969 677 HB3 ASP 88 HB1 ASP 88 -9.996 -6.504 -5.117 678 H ARG 89 HN ARG 89 -8.896 -8.859 -8.564 679 HA ARG 89 HA ARG 89 -7.810 -6.217 -9.230 680 HB2 ARG 89 HB2 ARG 89 -6.911 -8.975 -10.062 681 HB3 ARG 89 HB1 ARG 89 -6.167 -7.481 -10.610 682 HG2 ARG 89 HG2 ARG 89 -5.668 -6.960 -8.213 683 HG3 ARG 89 HG1 ARG 89 -6.220 -8.588 -7.814 684 HD2 ARG 89 HD2 ARG 89 -4.532 -9.324 -9.648 685 HD3 ARG 89 HD1 ARG 89 -3.824 -7.734 -9.379 686 HE ARG 89 HE ARG 89 -4.240 -9.229 -6.963 687 HH11 ARG 89 HH11 ARG 89 -2.052 -8.567 -9.642 688 HH12 ARG 89 HH12 ARG 89 -0.603 -9.169 -8.754 689 HH21 ARG 89 HH21 ARG 89 -2.439 -9.993 -5.811 690 HH22 ARG 89 HH22 ARG 89 -0.814 -9.994 -6.611 691 H SER 90 HN SER 90 -8.577 -9.114 -11.156 692 HA SER 90 HA SER 90 -9.877 -7.341 -13.116 693 HB2 SER 90 HB2 SER 90 -8.755 -10.118 -13.571 694 HB3 SER 90 HB1 SER 90 -9.373 -9.020 -14.800 695 HG SER 90 HG SER 90 -7.406 -8.328 -14.920 696 H LYS 91 HN LYS 91 -11.704 -7.521 -11.500 697 HA LYS 91 HA LYS 91 -13.681 -9.283 -12.504 698 HB2 LYS 91 HB2 LYS 91 -12.262 -10.796 -10.992 699 HB3 LYS 91 HB1 LYS 91 -12.913 -9.874 -9.645 700 HG2 LYS 91 HG2 LYS 91 -15.195 -10.497 -10.413 701 HG3 LYS 91 HG1 LYS 91 -14.445 -11.543 -11.618 702 HD2 LYS 91 HD2 LYS 91 -14.025 -11.757 -8.638 703 HD3 LYS 91 HD1 LYS 91 -15.129 -12.761 -9.581 704 HE2 LYS 91 HE2 LYS 91 -12.156 -12.574 -10.046 705 HE3 LYS 91 HE1 LYS 91 -12.939 -13.843 -9.110 706 HZ1 LYS 91 HZ1 LYS 91 -12.516 -14.585 -11.342 707 HZ2 LYS 91 HZ2 LYS 91 -13.364 -13.276 -11.992 708 HZ3 LYS 91 HZ3 LYS 91 -14.185 -14.458 -11.107 709 H LEU 92 HN LEU 92 -13.090 -8.096 -9.210 710 HA LEU 92 HA LEU 92 -14.124 -6.580 -7.890 711 HB2 LEU 92 HB2 LEU 92 -13.928 -5.348 -10.454 712 HB3 LEU 92 HB1 LEU 92 -15.463 -4.890 -9.742 713 HG LEU 92 HG LEU 92 -13.686 -3.261 -9.257 714 HD11 LEU 92 HD11 LEU 92 -14.054 -3.081 -6.871 715 HD12 LEU 92 HD12 LEU 92 -14.599 -4.755 -6.806 716 HD13 LEU 92 HD13 LEU 92 -15.542 -3.554 -7.686 717 HD21 LEU 92 HD21 LEU 92 -12.376 -5.548 -7.797 718 HD22 LEU 92 HD22 LEU 92 -11.877 -3.860 -7.711 719 HD23 LEU 92 HD23 LEU 92 -11.768 -4.735 -9.236 720 H SER 93 HN SER 93 -15.657 -8.918 -9.115 721 HA SER 93 HA SER 93 -18.380 -8.003 -9.168 722 HB2 SER 93 HB2 SER 93 -17.524 -10.883 -8.927 723 HB3 SER 93 HB1 SER 93 -18.959 -10.221 -9.712 724 HG SER 93 HG SER 93 -17.662 -10.579 -11.390 725 H LYS 94 HN LYS 94 -17.774 -6.999 -6.943 726 HA LYS 94 HA LYS 94 -18.847 -8.786 -4.866 727 HB2 LYS 94 HB2 LYS 94 -16.524 -6.868 -4.540 728 HB3 LYS 94 HB1 LYS 94 -17.315 -7.712 -3.218 729 HG2 LYS 94 HG2 LYS 94 -16.470 -9.792 -3.892 730 HG3 LYS 94 HG1 LYS 94 -16.043 -9.195 -5.497 731 HD2 LYS 94 HD2 LYS 94 -14.016 -9.397 -4.233 732 HD3 LYS 94 HD1 LYS 94 -14.380 -7.678 -4.399 733 HE2 LYS 94 HE2 LYS 94 -15.629 -8.120 -2.096 734 HE3 LYS 94 HE1 LYS 94 -14.442 -9.420 -1.995 735 HZ1 LYS 94 HZ1 LYS 94 -13.439 -7.580 -0.981 736 HZ2 LYS 94 HZ2 LYS 94 -13.955 -6.513 -2.187 737 HZ3 LYS 94 HZ3 LYS 94 -12.735 -7.637 -2.528 738 HA PRO 95 HA PRO 95 -21.567 -5.349 -4.182 739 HB2 PRO 95 HB2 PRO 95 -22.376 -5.845 -1.653 740 HB3 PRO 95 HB1 PRO 95 -22.891 -6.843 -3.019 741 HG2 PRO 95 HG2 PRO 95 -20.727 -7.370 -1.029 742 HG3 PRO 95 HG1 PRO 95 -21.963 -8.477 -1.658 743 HD2 PRO 95 HD2 PRO 95 -19.430 -8.467 -2.594 744 HD3 PRO 95 HD1 PRO 95 -20.825 -8.852 -3.621 745 H MET 96 HN MET 96 -21.853 -3.436 -2.791 746 HA MET 96 HA MET 96 -19.409 -2.777 -1.286 747 HB2 MET 96 HB2 MET 96 -19.342 -1.619 -3.417 748 HB3 MET 96 HB1 MET 96 -20.959 -0.984 -3.163 749 HG2 MET 96 HG2 MET 96 -20.165 0.336 -1.285 750 HG3 MET 96 HG1 MET 96 -18.544 -0.329 -1.489 751 HE1 MET 96 HE1 MET 96 -21.402 1.711 -3.242 752 HE2 MET 96 HE2 MET 96 -20.912 0.610 -4.531 753 HE3 MET 96 HE3 MET 96 -20.580 2.336 -4.672 754 H GLU 97 HN GLU 97 -22.494 -1.107 -1.879 755 HA GLU 97 HA GLU 97 -24.075 -0.250 -0.515 756 HB2 GLU 97 HB2 GLU 97 -24.340 -2.531 0.324 757 HB3 GLU 97 HB1 GLU 97 -23.057 -2.259 1.494 758 HG2 GLU 97 HG2 GLU 97 -24.435 -0.439 2.486 759 HG3 GLU 97 HG1 GLU 97 -25.743 -0.910 1.402 760 H THR 98 HN THR 98 -23.517 1.822 -0.175 761 HA THR 98 HA THR 98 -22.341 2.489 2.369 762 HB THR 98 HB THR 98 -20.350 2.150 0.901 763 HG1 THR 98 HG1 THR 98 -19.494 4.354 1.345 764 HG21 THR 98 HG21 THR 98 -21.513 4.483 -0.624 765 HG22 THR 98 HG22 THR 98 -21.265 2.846 -1.231 766 HG23 THR 98 HG23 THR 98 -19.876 3.856 -0.827 767 H LEU 99 HN LEU 99 -22.295 4.855 2.723 768 HA LEU 99 HA LEU 99 -23.319 6.868 2.853 769 HB2 LEU 99 HB2 LEU 99 -23.831 6.435 -0.088 770 HB3 LEU 99 HB1 LEU 99 -23.984 7.963 0.759 771 HG LEU 99 HG LEU 99 -21.421 6.412 0.369 772 HD11 LEU 99 HD11 LEU 99 -22.307 7.495 -1.668 773 HD12 LEU 99 HD12 LEU 99 -20.780 8.188 -1.124 774 HD13 LEU 99 HD13 LEU 99 -22.294 9.038 -0.818 775 HD21 LEU 99 HD21 LEU 99 -21.321 7.560 2.461 776 HD22 LEU 99 HD22 LEU 99 -21.979 9.029 1.743 777 HD23 LEU 99 HD23 LEU 99 -20.367 8.472 1.292 778 H ILE 100 HN ILE 100 -24.865 4.660 3.593 779 HA ILE 100 HA ILE 100 -27.555 5.316 2.616 780 HB ILE 100 HB ILE 100 -28.211 3.208 3.888 781 HG12 ILE 100 HG12 ILE 100 -25.218 2.753 3.787 782 HG13 ILE 100 HG11 ILE 100 -26.134 3.092 5.252 783 HG21 ILE 100 HG21 ILE 100 -26.336 2.990 1.537 784 HG22 ILE 100 HG22 ILE 100 -28.070 3.308 1.467 785 HG23 ILE 100 HG23 ILE 100 -27.481 1.754 2.054 786 HD11 ILE 100 HD11 ILE 100 -25.616 0.716 4.983 787 HD12 ILE 100 HD12 ILE 100 -26.532 0.693 3.478 788 HD13 ILE 100 HD13 ILE 100 -27.351 1.021 5.004 789 H THR 101 HN THR 101 -25.640 6.419 4.933 790 HA THR 101 HA THR 101 -27.902 6.919 6.731 791 HB THR 101 HB THR 101 -25.151 6.298 7.801 792 HG1 THR 101 HG1 THR 101 -27.329 4.587 7.227 793 HG21 THR 101 HG21 THR 101 -26.282 6.087 9.921 794 HG22 THR 101 HG22 THR 101 -27.852 6.313 9.148 795 HG23 THR 101 HG23 THR 101 -26.695 7.645 9.208 796 H THR 102 HN THR 102 -28.096 9.021 7.255 797 HA THR 102 HA THR 102 -26.314 10.967 6.191 798 HB THR 102 HB THR 102 -28.253 11.733 8.316 799 HG1 THR 102 HG1 THR 102 -30.009 11.385 6.938 800 HG21 THR 102 HG21 THR 102 -27.107 13.476 7.127 801 HG22 THR 102 HG22 THR 102 -28.792 13.478 6.606 802 HG23 THR 102 HG23 THR 102 -27.549 12.774 5.572 803 H VAL 103 HN VAL 103 -24.321 11.094 7.046 804 HA VAL 103 HA VAL 103 -23.934 10.858 9.922 805 HB VAL 103 HB VAL 103 -21.517 11.002 9.395 806 HG11 VAL 103 HG11 VAL 103 -23.050 8.976 7.777 807 HG12 VAL 103 HG12 VAL 103 -22.629 8.845 9.485 808 HG13 VAL 103 HG13 VAL 103 -21.358 8.841 8.259 809 HG21 VAL 103 HG21 VAL 103 -20.750 10.971 7.090 810 HG22 VAL 103 HG22 VAL 103 -21.690 12.433 7.404 811 HG23 VAL 103 HG23 VAL 103 -22.415 11.092 6.517 812 H ASP 104 HN ASP 104 -24.671 13.285 7.803 813 HA ASP 104 HA ASP 104 -23.006 15.403 8.690 814 HB2 ASP 104 HB2 ASP 104 -25.793 15.709 7.569 815 HB3 ASP 104 HB1 ASP 104 -24.462 16.859 7.477 816 HHB HEM 400 HB HEM 400 11.352 4.717 -1.417 817 HHC HEM 400 HC HEM 400 5.109 5.085 -2.346 818 HHD HEM 400 HD HEM 400 5.824 10.876 -4.811 819 HMA HEM 400 HMA1 HEM 400 13.264 5.465 -0.887 820 HMAA HEM 400 HMA2 HEM 400 14.475 6.631 -1.343 821 HMAB HEM 400 HMA3 HEM 400 14.149 5.312 -2.440 822 HAA HEM 400 HAA1 HEM 400 14.494 9.221 -2.477 823 HAAA HEM 400 HAA2 HEM 400 13.984 9.402 -4.146 824 HBA HEM 400 HBA1 HEM 400 14.868 6.692 -3.680 825 HBAA HEM 400 HBA2 HEM 400 16.112 7.833 -3.180 826 HMB HEM 400 HMB1 HEM 400 9.278 1.885 -1.279 827 HMBA HEM 400 HMB2 HEM 400 9.290 2.723 0.278 828 HMBB HEM 400 HMB3 HEM 400 10.602 2.963 -0.880 829 HAB HEM 400 HAB HEM 400 5.809 2.659 -1.999 830 HBB HEM 400 HBB1 HEM 400 7.046 2.675 0.870 831 HBBA HEM 400 HBB2 HEM 400 5.602 1.609 0.182 832 HMC HEM 400 HMC1 HEM 400 2.264 7.370 -3.292 833 HMCA HEM 400 HMC2 HEM 400 3.111 6.169 -2.312 834 HMCB HEM 400 HMC3 HEM 400 2.985 5.970 -4.062 835 HAC HEM 400 HAC HEM 400 3.507 9.979 -5.359 836 HBC HEM 400 HBC1 HEM 400 2.204 9.462 -2.562 837 HBCA HEM 400 HBC2 HEM 400 1.546 10.530 -4.016 838 HMD HEM 400 HMD1 HEM 400 7.287 13.363 -4.714 839 HMDA HEM 400 HMD2 HEM 400 6.861 12.425 -6.148 840 HMDB HEM 400 HMD3 HEM 400 8.340 13.386 -6.116 841 HAD HEM 400 HAD1 HEM 400 10.321 13.426 -5.439 842 HADA HEM 400 HAD2 HEM 400 11.529 12.563 -4.502 843 HBD HEM 400 HBD1 HEM 400 10.962 11.287 -7.085 844 HBDA HEM 400 HBD2 HEM 400 12.509 11.715 -6.353 845 HHA HEM 400 HA HEM 400 12.114 10.328 -4.232 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 20.418 -14.352 16.558 2 H2 MET 1 HT2 MET 1 21.610 -14.355 17.755 3 H3 MET 1 HT3 MET 1 21.249 -12.928 16.925 4 HA MET 1 HA MET 1 19.539 -14.383 18.838 5 HB2 MET 1 HB2 MET 1 21.127 -11.873 18.897 6 HB3 MET 1 HB1 MET 1 19.578 -11.864 19.723 7 HG2 MET 1 HG2 MET 1 20.263 -13.730 21.096 8 HG3 MET 1 HG1 MET 1 21.793 -13.834 20.225 9 HE1 MET 1 HE1 MET 1 21.559 -13.567 23.483 10 HE2 MET 1 HE2 MET 1 22.949 -12.504 23.707 11 HE3 MET 1 HE3 MET 1 23.024 -13.818 22.534 12 H ALA 2 HN ALA 2 19.552 -11.151 17.313 13 HA ALA 2 HA ALA 2 16.733 -11.621 16.600 14 HB1 ALA 2 HB1 ALA 2 17.012 -9.974 18.406 15 HB2 ALA 2 HB2 ALA 2 16.317 -9.255 16.954 16 HB3 ALA 2 HB3 ALA 2 18.018 -8.993 17.339 17 H ALA 3 HN ALA 3 17.411 -12.431 14.534 18 HA ALA 3 HA ALA 3 17.628 -10.338 12.565 19 HB1 ALA 3 HB1 ALA 3 20.002 -10.737 13.191 20 HB2 ALA 3 HB2 ALA 3 19.650 -11.102 11.501 21 HB3 ALA 3 HB3 ALA 3 19.816 -12.412 12.671 22 H GLN 4 HN GLN 4 15.881 -10.971 11.433 23 HA GLN 4 HA GLN 4 15.961 -13.639 10.228 24 HB2 GLN 4 HB2 GLN 4 13.523 -13.917 10.611 25 HB3 GLN 4 HB1 GLN 4 14.466 -13.929 12.093 26 HG2 GLN 4 HG2 GLN 4 13.757 -11.725 12.655 27 HG3 GLN 4 HG1 GLN 4 13.018 -11.500 11.070 28 HE21 GLN 4 HE21 GLN 4 11.006 -11.041 11.944 29 HE22 GLN 4 HE22 GLN 4 10.015 -12.261 12.666 30 H SER 5 HN SER 5 14.899 -13.799 8.226 31 HA SER 5 HA SER 5 13.947 -11.278 7.059 32 HB2 SER 5 HB2 SER 5 15.741 -13.137 5.508 33 HB3 SER 5 HB1 SER 5 15.338 -11.452 5.165 34 HG SER 5 HG SER 5 16.500 -10.941 7.145 35 H ASP 6 HN ASP 6 11.908 -12.417 7.535 36 HA ASP 6 HA ASP 6 11.276 -14.756 5.968 37 HB2 ASP 6 HB2 ASP 6 9.691 -13.017 7.852 38 HB3 ASP 6 HB1 ASP 6 8.929 -14.284 6.896 39 H LYS 7 HN LYS 7 10.283 -14.819 4.064 40 HA LYS 7 HA LYS 7 9.245 -12.294 2.971 41 HB2 LYS 7 HB2 LYS 7 10.787 -14.485 1.569 42 HB3 LYS 7 HB1 LYS 7 9.898 -13.232 0.711 43 HG2 LYS 7 HG2 LYS 7 12.073 -12.650 2.706 44 HG3 LYS 7 HG1 LYS 7 12.357 -12.820 0.972 45 HD2 LYS 7 HD2 LYS 7 10.926 -10.944 0.501 46 HD3 LYS 7 HD1 LYS 7 10.428 -10.844 2.190 47 HE2 LYS 7 HE2 LYS 7 12.449 -9.973 2.878 48 HE3 LYS 7 HE1 LYS 7 13.317 -10.634 1.493 49 HZ1 LYS 7 HZ1 LYS 7 13.020 -8.202 1.400 50 HZ2 LYS 7 HZ2 LYS 7 11.342 -8.425 1.324 51 HZ3 LYS 7 HZ3 LYS 7 12.331 -9.002 0.078 52 H ASP 8 HN ASP 8 7.209 -12.884 3.803 53 HA ASP 8 HA ASP 8 5.881 -15.087 2.364 54 HB2 ASP 8 HB2 ASP 8 6.046 -15.110 4.951 55 HB3 ASP 8 HB1 ASP 8 4.837 -13.833 4.896 56 H VAL 9 HN VAL 9 4.475 -14.465 0.862 57 HA VAL 9 HA VAL 9 3.512 -11.703 0.918 58 HB VAL 9 HB VAL 9 4.567 -12.219 -1.151 59 HG11 VAL 9 HG11 VAL 9 2.795 -14.650 -1.329 60 HG12 VAL 9 HG12 VAL 9 4.542 -14.627 -1.090 61 HG13 VAL 9 HG13 VAL 9 3.854 -14.070 -2.614 62 HG21 VAL 9 HG21 VAL 9 2.619 -10.852 -1.436 63 HG22 VAL 9 HG22 VAL 9 1.572 -12.270 -1.489 64 HG23 VAL 9 HG23 VAL 9 2.720 -11.971 -2.796 65 H LYS 10 HN LYS 10 1.876 -11.855 2.416 66 HA LYS 10 HA LYS 10 -0.198 -13.839 2.109 67 HB2 LYS 10 HB2 LYS 10 0.452 -13.126 4.350 68 HB3 LYS 10 HB1 LYS 10 0.007 -11.467 3.971 69 HG2 LYS 10 HG2 LYS 10 -2.173 -11.837 4.314 70 HG3 LYS 10 HG1 LYS 10 -2.126 -13.420 3.538 71 HD2 LYS 10 HD2 LYS 10 -0.994 -12.916 6.278 72 HD3 LYS 10 HD1 LYS 10 -2.673 -13.386 6.011 73 HE2 LYS 10 HE2 LYS 10 -0.214 -14.954 5.236 74 HE3 LYS 10 HE1 LYS 10 -1.349 -15.342 6.527 75 HZ1 LYS 10 HZ1 LYS 10 -1.759 -15.503 3.605 76 HZ2 LYS 10 HZ2 LYS 10 -3.077 -15.407 4.661 77 HZ3 LYS 10 HZ3 LYS 10 -1.997 -16.702 4.777 78 H TYR 11 HN TYR 11 -2.077 -13.603 1.078 79 HA TYR 11 HA TYR 11 -2.488 -11.184 -0.458 80 HB2 TYR 11 HB2 TYR 11 -3.622 -13.949 -0.491 81 HB3 TYR 11 HB1 TYR 11 -4.531 -12.649 -1.255 82 HD1 TYR 11 HD2 TYR 11 -1.193 -14.288 -1.231 83 HD2 TYR 11 HD1 TYR 11 -3.991 -11.954 -3.419 84 HE1 TYR 11 HE2 TYR 11 0.218 -14.485 -3.233 85 HE2 TYR 11 HE1 TYR 11 -2.588 -12.146 -5.426 86 HH TYR 11 HH TYR 11 -0.081 -12.536 -5.877 87 H TYR 12 HN TYR 12 -3.643 -9.556 0.262 88 HA TYR 12 HA TYR 12 -5.667 -10.027 2.348 89 HB2 TYR 12 HB2 TYR 12 -4.251 -7.470 1.556 90 HB3 TYR 12 HB1 TYR 12 -5.449 -7.609 2.833 91 HD1 TYR 12 HD2 TYR 12 -4.839 -9.547 4.615 92 HD2 TYR 12 HD1 TYR 12 -2.048 -7.429 2.204 93 HE1 TYR 12 HE2 TYR 12 -3.059 -10.067 6.228 94 HE2 TYR 12 HE1 TYR 12 -0.258 -7.940 3.812 95 HH TYR 12 HH TYR 12 -0.506 -10.283 6.167 96 H THR 13 HN THR 13 -7.688 -8.865 2.194 97 HA THR 13 HA THR 13 -8.595 -8.686 -0.571 98 HB THR 13 HB THR 13 -10.491 -8.152 1.652 99 HG1 THR 13 HG1 THR 13 -9.364 -9.785 2.655 100 HG21 THR 13 HG21 THR 13 -11.917 -9.649 0.352 101 HG22 THR 13 HG22 THR 13 -10.566 -10.033 -0.716 102 HG23 THR 13 HG23 THR 13 -11.229 -8.398 -0.686 103 H LEU 14 HN LEU 14 -9.944 -6.866 -1.272 104 HA LEU 14 HA LEU 14 -8.692 -4.405 -1.043 105 HB2 LEU 14 HB2 LEU 14 -10.225 -5.069 -2.853 106 HB3 LEU 14 HB1 LEU 14 -11.574 -4.939 -1.741 107 HG LEU 14 HG LEU 14 -10.889 -2.486 -1.461 108 HD11 LEU 14 HD11 LEU 14 -9.647 -1.491 -3.281 109 HD12 LEU 14 HD12 LEU 14 -9.434 -3.072 -4.035 110 HD13 LEU 14 HD13 LEU 14 -8.664 -2.721 -2.488 111 HD21 LEU 14 HD21 LEU 14 -12.100 -1.836 -3.503 112 HD22 LEU 14 HD22 LEU 14 -12.890 -3.157 -2.644 113 HD23 LEU 14 HD23 LEU 14 -11.952 -3.489 -4.098 114 H GLU 15 HN GLU 15 -11.613 -5.529 0.627 115 HA GLU 15 HA GLU 15 -12.095 -3.105 2.008 116 HB2 GLU 15 HB2 GLU 15 -13.629 -4.482 3.400 117 HB3 GLU 15 HB1 GLU 15 -13.888 -4.667 1.673 118 HG2 GLU 15 HG2 GLU 15 -12.059 -6.608 2.945 119 HG3 GLU 15 HG1 GLU 15 -13.763 -6.725 3.376 120 H GLU 16 HN GLU 16 -9.623 -5.304 2.464 121 HA GLU 16 HA GLU 16 -9.481 -4.837 5.352 122 HB2 GLU 16 HB2 GLU 16 -8.232 -6.829 3.504 123 HB3 GLU 16 HB1 GLU 16 -7.456 -6.471 5.043 124 HG2 GLU 16 HG2 GLU 16 -9.075 -7.475 6.257 125 HG3 GLU 16 HG1 GLU 16 -10.350 -7.041 5.121 126 H ILE 17 HN ILE 17 -7.644 -4.303 2.374 127 HA ILE 17 HA ILE 17 -5.412 -3.137 3.720 128 HB ILE 17 HB ILE 17 -4.819 -2.248 1.418 129 HG12 ILE 17 HG12 ILE 17 -6.251 -3.985 -0.207 130 HG13 ILE 17 HG11 ILE 17 -7.477 -3.327 0.873 131 HG21 ILE 17 HG21 ILE 17 -4.200 -4.511 0.596 132 HG22 ILE 17 HG22 ILE 17 -5.201 -5.199 1.875 133 HG23 ILE 17 HG23 ILE 17 -3.791 -4.223 2.287 134 HD11 ILE 17 HD11 ILE 17 -7.186 -2.073 -1.248 135 HD12 ILE 17 HD12 ILE 17 -5.563 -1.644 -0.714 136 HD13 ILE 17 HD13 ILE 17 -6.964 -1.101 0.204 137 H LYS 18 HN LYS 18 -8.343 -1.834 2.241 138 HA LYS 18 HA LYS 18 -7.487 0.897 2.616 139 HB2 LYS 18 HB2 LYS 18 -9.654 1.532 1.759 140 HB3 LYS 18 HB1 LYS 18 -8.991 0.253 0.756 141 HG2 LYS 18 HG2 LYS 18 -10.512 -1.317 1.516 142 HG3 LYS 18 HG1 LYS 18 -10.870 -0.408 2.985 143 HD2 LYS 18 HD2 LYS 18 -12.740 -0.262 1.456 144 HD3 LYS 18 HD1 LYS 18 -11.978 1.319 1.617 145 HE2 LYS 18 HE2 LYS 18 -10.654 0.652 -0.487 146 HE3 LYS 18 HE1 LYS 18 -11.879 -0.598 -0.686 147 HZ1 LYS 18 HZ1 LYS 18 -12.255 2.340 -0.692 148 HZ2 LYS 18 HZ2 LYS 18 -13.546 1.266 -0.530 149 HZ3 LYS 18 HZ3 LYS 18 -12.601 1.242 -1.933 150 H LYS 19 HN LYS 19 -8.333 -1.354 4.757 151 HA LYS 19 HA LYS 19 -9.676 0.574 6.532 152 HB2 LYS 19 HB2 LYS 19 -10.849 -1.662 5.745 153 HB3 LYS 19 HB1 LYS 19 -9.855 -2.372 7.007 154 HG2 LYS 19 HG2 LYS 19 -11.956 -1.903 7.970 155 HG3 LYS 19 HG1 LYS 19 -10.835 -0.689 8.591 156 HD2 LYS 19 HD2 LYS 19 -12.673 0.598 8.035 157 HD3 LYS 19 HD1 LYS 19 -11.688 0.734 6.580 158 HE2 LYS 19 HE2 LYS 19 -13.950 0.322 5.913 159 HE3 LYS 19 HE1 LYS 19 -13.013 -1.140 5.598 160 HZ1 LYS 19 HZ1 LYS 19 -13.859 -1.795 7.946 161 HZ2 LYS 19 HZ2 LYS 19 -14.871 -1.979 6.610 162 HZ3 LYS 19 HZ3 LYS 19 -15.070 -0.655 7.643 163 H HIS 20 HN HIS 20 -6.853 0.244 6.069 164 HA HIS 20 HA HIS 20 -6.038 -0.376 8.823 165 HB2 HIS 20 HB2 HIS 20 -5.017 -1.561 6.312 166 HB3 HIS 20 HB1 HIS 20 -3.788 -1.039 7.456 167 HD1 HIS 20 HD1 HIS 20 -6.458 -3.593 6.941 168 HD2 HIS 20 HD2 HIS 20 -3.662 -2.528 9.829 169 HE1 HIS 20 HE1 HIS 20 -6.364 -5.529 8.544 170 HE2 HIS 20 HE2 HIS 20 -4.493 -4.958 10.131 171 H ASN 21 HN ASN 21 -6.228 1.803 6.371 172 HA ASN 21 HA ASN 21 -3.710 3.141 6.648 173 HB2 ASN 21 HB2 ASN 21 -4.747 4.860 5.198 174 HB3 ASN 21 HB1 ASN 21 -4.885 3.240 4.529 175 HD21 ASN 21 HD21 ASN 21 -6.466 5.501 3.833 176 HD22 ASN 21 HD22 ASN 21 -8.106 5.140 4.243 177 H HIS 22 HN HIS 22 -4.243 3.057 9.137 178 HA HIS 22 HA HIS 22 -5.663 5.522 9.868 179 HB2 HIS 22 HB2 HIS 22 -5.166 2.958 11.310 180 HB3 HIS 22 HB1 HIS 22 -5.375 4.430 12.251 181 HD1 HIS 22 HD1 HIS 22 -7.631 3.577 13.201 182 HD2 HIS 22 HD2 HIS 22 -7.558 3.962 9.065 183 HE1 HIS 22 HE1 HIS 22 -10.027 3.410 12.465 184 HE2 HIS 22 HE2 HIS 22 -9.973 3.822 9.981 185 H SER 23 HN SER 23 -3.074 3.825 11.643 186 HA SER 23 HA SER 23 -1.437 6.249 11.349 187 HB2 SER 23 HB2 SER 23 -0.800 5.870 13.817 188 HB3 SER 23 HB1 SER 23 -2.380 6.578 13.479 189 HG SER 23 HG SER 23 -3.275 4.921 14.392 190 H LYS 24 HN LYS 24 -1.006 3.277 13.245 191 HA LYS 24 HA LYS 24 1.670 2.993 12.146 192 HB2 LYS 24 HB2 LYS 24 1.889 1.192 13.867 193 HB3 LYS 24 HB1 LYS 24 1.494 2.774 14.522 194 HG2 LYS 24 HG2 LYS 24 -0.981 1.704 14.193 195 HG3 LYS 24 HG1 LYS 24 -0.027 0.271 14.575 196 HD2 LYS 24 HD2 LYS 24 -0.142 2.807 16.216 197 HD3 LYS 24 HD1 LYS 24 -0.966 1.292 16.597 198 HE2 LYS 24 HE2 LYS 24 1.109 0.162 16.919 199 HE3 LYS 24 HE1 LYS 24 2.021 1.526 16.278 200 HZ1 LYS 24 HZ1 LYS 24 1.248 2.844 18.175 201 HZ2 LYS 24 HZ2 LYS 24 2.151 1.500 18.662 202 HZ3 LYS 24 HZ3 LYS 24 0.470 1.483 18.808 203 H SER 25 HN SER 25 -0.533 2.446 10.364 204 HA SER 25 HA SER 25 0.313 -0.179 9.479 205 HB2 SER 25 HB2 SER 25 -2.630 0.406 9.908 206 HB3 SER 25 HB1 SER 25 -1.935 -1.091 9.284 207 HG SER 25 HG SER 25 -0.714 -0.848 11.492 208 H THR 26 HN THR 26 0.676 2.505 8.595 209 HA THR 26 HA THR 26 -1.092 3.144 6.464 210 HB THR 26 HB THR 26 1.755 4.087 6.824 211 HG1 THR 26 HG1 THR 26 0.812 4.680 8.696 212 HG21 THR 26 HG21 THR 26 0.960 6.090 5.650 213 HG22 THR 26 HG22 THR 26 -0.635 5.356 5.476 214 HG23 THR 26 HG23 THR 26 0.754 4.648 4.652 215 H TRP 27 HN TRP 27 -1.322 1.453 5.073 216 HA TRP 27 HA TRP 27 1.065 0.416 3.731 217 HB2 TRP 27 HB2 TRP 27 -1.781 -0.608 3.824 218 HB3 TRP 27 HB1 TRP 27 -0.512 -1.331 2.847 219 HD1 TRP 27 HD1 TRP 27 1.484 -0.635 5.618 220 HE1 TRP 27 HE1 TRP 27 1.517 -2.509 7.376 221 HE3 TRP 27 HE3 TRP 27 -2.719 -3.175 4.175 222 HZ2 TRP 27 HZ2 TRP 27 -0.032 -4.767 8.065 223 HZ3 TRP 27 HZ3 TRP 27 -3.370 -5.183 5.441 224 HH2 TRP 27 HH2 TRP 27 -2.052 -5.959 7.343 225 H LEU 28 HN LEU 28 1.414 0.722 1.593 226 HA LEU 28 HA LEU 28 -0.596 2.304 0.120 227 HB2 LEU 28 HB2 LEU 28 2.173 2.822 0.626 228 HB3 LEU 28 HB1 LEU 28 1.954 2.571 -1.094 229 HG LEU 28 HG LEU 28 0.222 4.505 0.426 230 HD11 LEU 28 HD11 LEU 28 2.461 5.236 0.880 231 HD12 LEU 28 HD12 LEU 28 1.777 6.275 -0.372 232 HD13 LEU 28 HD13 LEU 28 2.924 5.007 -0.808 233 HD21 LEU 28 HD21 LEU 28 -0.589 3.925 -1.753 234 HD22 LEU 28 HD22 LEU 28 1.006 4.169 -2.465 235 HD23 LEU 28 HD23 LEU 28 0.103 5.546 -1.836 236 H ILE 29 HN ILE 29 -1.205 1.583 -1.866 237 HA ILE 29 HA ILE 29 -0.157 -1.039 -2.637 238 HB ILE 29 HB ILE 29 -2.729 0.373 -3.349 239 HG12 ILE 29 HG12 ILE 29 -3.564 -1.932 -2.408 240 HG13 ILE 29 HG11 ILE 29 -1.971 -1.992 -1.666 241 HG21 ILE 29 HG21 ILE 29 -3.325 -1.522 -4.731 242 HG22 ILE 29 HG22 ILE 29 -1.769 -2.285 -4.403 243 HG23 ILE 29 HG23 ILE 29 -1.838 -0.786 -5.333 244 HD11 ILE 29 HD11 ILE 29 -2.440 0.158 -0.563 245 HD12 ILE 29 HD12 ILE 29 -3.570 -1.113 -0.103 246 HD13 ILE 29 HD13 ILE 29 -4.061 0.129 -1.253 247 H LEU 30 HN LEU 30 1.263 -1.153 -4.182 248 HA LEU 30 HA LEU 30 1.128 0.731 -6.437 249 HB2 LEU 30 HB2 LEU 30 3.700 -0.199 -5.152 250 HB3 LEU 30 HB1 LEU 30 3.541 0.924 -6.486 251 HG LEU 30 HG LEU 30 2.451 1.517 -3.741 252 HD11 LEU 30 HD11 LEU 30 4.481 2.851 -3.379 253 HD12 LEU 30 HD12 LEU 30 5.156 2.213 -4.879 254 HD13 LEU 30 HD13 LEU 30 4.837 1.130 -3.523 255 HD21 LEU 30 HD21 LEU 30 3.167 3.276 -6.084 256 HD22 LEU 30 HD22 LEU 30 2.534 3.824 -4.531 257 HD23 LEU 30 HD23 LEU 30 1.536 2.826 -5.589 258 H HIS 31 HN HIS 31 0.842 -0.377 -8.247 259 HA HIS 31 HA HIS 31 0.901 -2.005 -9.828 260 HB2 HIS 31 HB2 HIS 31 3.490 -2.359 -8.442 261 HB3 HIS 31 HB1 HIS 31 2.938 -3.731 -9.392 262 HD1 HIS 31 HD1 HIS 31 2.027 -2.763 -11.947 263 HD2 HIS 31 HD2 HIS 31 5.066 -0.775 -9.921 264 HE1 HIS 31 HE1 HIS 31 3.257 -1.441 -13.698 265 HE2 HIS 31 HE2 HIS 31 5.170 -0.356 -12.473 266 H HIS 32 HN HIS 32 -0.728 -2.360 -7.577 267 HA HIS 32 HA HIS 32 -2.159 -3.884 -6.704 268 HB2 HIS 32 HB2 HIS 32 -0.761 -5.850 -8.528 269 HB3 HIS 32 HB1 HIS 32 -2.244 -6.177 -7.635 270 HD1 HIS 32 HD1 HIS 32 -1.235 -5.367 -10.897 271 HD2 HIS 32 HD2 HIS 32 -4.251 -3.966 -8.405 272 HE1 HIS 32 HE1 HIS 32 -2.943 -4.335 -12.418 273 HE2 HIS 32 HE2 HIS 32 -4.656 -3.325 -10.877 274 H LYS 33 HN LYS 33 0.844 -3.597 -5.862 275 HA LYS 33 HA LYS 33 0.901 -5.947 -4.092 276 HB2 LYS 33 HB2 LYS 33 3.210 -4.085 -4.620 277 HB3 LYS 33 HB1 LYS 33 3.256 -5.701 -3.933 278 HG2 LYS 33 HG2 LYS 33 2.144 -5.562 -6.641 279 HG3 LYS 33 HG1 LYS 33 3.839 -5.090 -6.513 280 HD2 LYS 33 HD2 LYS 33 4.339 -7.197 -5.383 281 HD3 LYS 33 HD1 LYS 33 2.645 -7.666 -5.503 282 HE2 LYS 33 HE2 LYS 33 2.781 -7.655 -7.922 283 HE3 LYS 33 HE1 LYS 33 4.447 -7.084 -7.846 284 HZ1 LYS 33 HZ1 LYS 33 5.096 -9.126 -6.797 285 HZ2 LYS 33 HZ2 LYS 33 4.283 -9.483 -8.235 286 HZ3 LYS 33 HZ3 LYS 33 3.494 -9.672 -6.749 287 H VAL 34 HN VAL 34 1.103 -5.665 -1.877 288 HA VAL 34 HA VAL 34 0.404 -2.985 -0.917 289 HB VAL 34 HB VAL 34 0.459 -5.529 0.714 290 HG11 VAL 34 HG11 VAL 34 -1.079 -4.333 2.168 291 HG12 VAL 34 HG12 VAL 34 -1.039 -2.937 1.091 292 HG13 VAL 34 HG13 VAL 34 0.416 -3.419 1.965 293 HG21 VAL 34 HG21 VAL 34 -1.019 -5.799 -1.252 294 HG22 VAL 34 HG22 VAL 34 -1.907 -4.363 -0.746 295 HG23 VAL 34 HG23 VAL 34 -1.902 -5.800 0.275 296 H TYR 35 HN TYR 35 1.960 -1.717 -0.164 297 HA TYR 35 HA TYR 35 4.393 -2.969 0.942 298 HB2 TYR 35 HB2 TYR 35 4.070 -0.254 -0.361 299 HB3 TYR 35 HB1 TYR 35 5.565 -0.883 0.317 300 HD1 TYR 35 HD2 TYR 35 6.797 -2.649 -0.811 301 HD2 TYR 35 HD1 TYR 35 3.239 -1.048 -2.489 302 HE1 TYR 35 HE2 TYR 35 7.364 -3.671 -2.972 303 HE2 TYR 35 HE1 TYR 35 3.794 -2.066 -4.653 304 HH TYR 35 HH TYR 35 5.547 -2.964 -5.865 305 H ASP 36 HN ASP 36 4.891 -2.593 3.005 306 HA ASP 36 HA ASP 36 3.251 -0.695 4.508 307 HB2 ASP 36 HB2 ASP 36 3.328 -2.820 5.576 308 HB3 ASP 36 HB1 ASP 36 5.073 -2.951 5.357 309 H LEU 37 HN LEU 37 4.011 1.279 4.507 310 HA LEU 37 HA LEU 37 6.881 1.685 5.022 311 HB2 LEU 37 HB2 LEU 37 6.987 3.478 3.527 312 HB3 LEU 37 HB1 LEU 37 6.046 2.279 2.666 313 HG LEU 37 HG LEU 37 4.668 4.436 4.226 314 HD11 LEU 37 HD11 LEU 37 5.876 4.665 1.483 315 HD12 LEU 37 HD12 LEU 37 6.176 5.688 2.889 316 HD13 LEU 37 HD13 LEU 37 4.606 5.730 2.083 317 HD21 LEU 37 HD21 LEU 37 2.921 4.079 2.572 318 HD22 LEU 37 HD22 LEU 37 3.343 2.564 3.366 319 HD23 LEU 37 HD23 LEU 37 3.930 2.900 1.738 320 H THR 38 HN THR 38 4.491 1.467 6.755 321 HA THR 38 HA THR 38 3.638 3.963 7.670 322 HB THR 38 HB THR 38 2.797 1.536 8.211 323 HG1 THR 38 HG1 THR 38 2.735 3.743 10.016 324 HG21 THR 38 HG21 THR 38 4.551 2.107 10.608 325 HG22 THR 38 HG22 THR 38 4.810 0.817 9.432 326 HG23 THR 38 HG23 THR 38 3.380 0.795 10.468 327 H LYS 39 HN LYS 39 6.651 2.363 8.154 328 HA LYS 39 HA LYS 39 7.367 4.303 10.247 329 HB2 LYS 39 HB2 LYS 39 8.064 1.480 9.784 330 HB3 LYS 39 HB1 LYS 39 9.429 2.501 10.218 331 HG2 LYS 39 HG2 LYS 39 6.876 2.275 11.798 332 HG3 LYS 39 HG1 LYS 39 8.372 1.410 12.154 333 HD2 LYS 39 HD2 LYS 39 9.524 3.590 12.394 334 HD3 LYS 39 HD1 LYS 39 7.979 4.403 12.151 335 HE2 LYS 39 HE2 LYS 39 7.079 3.408 14.144 336 HE3 LYS 39 HE1 LYS 39 8.524 2.415 14.348 337 HZ1 LYS 39 HZ1 LYS 39 9.815 4.431 14.681 338 HZ2 LYS 39 HZ2 LYS 39 8.563 4.330 15.813 339 HZ3 LYS 39 HZ3 LYS 39 8.428 5.381 14.492 340 H PHE 40 HN PHE 40 7.384 4.261 7.119 341 HA PHE 40 HA PHE 40 10.134 5.291 6.831 342 HB2 PHE 40 HB2 PHE 40 9.787 3.251 5.525 343 HB3 PHE 40 HB1 PHE 40 8.362 3.948 4.773 344 HD1 PHE 40 HD1 PHE 40 12.010 4.580 5.169 345 HD2 PHE 40 HD2 PHE 40 8.564 4.941 2.708 346 HE1 PHE 40 HE1 PHE 40 13.415 5.435 3.338 347 HE2 PHE 40 HE2 PHE 40 9.956 5.795 0.871 348 HZ PHE 40 HZ PHE 40 12.388 6.041 1.185 349 H LEU 41 HN LEU 41 6.912 6.102 6.965 350 HA LEU 41 HA LEU 41 6.483 7.990 4.980 351 HB2 LEU 41 HB2 LEU 41 5.561 8.206 7.843 352 HB3 LEU 41 HB1 LEU 41 4.834 8.980 6.449 353 HG LEU 41 HG LEU 41 4.967 5.985 6.723 354 HD11 LEU 41 HD11 LEU 41 3.789 6.841 8.667 355 HD12 LEU 41 HD12 LEU 41 2.658 6.085 7.542 356 HD13 LEU 41 HD13 LEU 41 2.773 7.843 7.628 357 HD21 LEU 41 HD21 LEU 41 3.157 7.792 5.126 358 HD22 LEU 41 HD22 LEU 41 3.164 6.029 5.110 359 HD23 LEU 41 HD23 LEU 41 4.549 6.922 4.485 360 H GLU 42 HN GLU 42 7.949 8.438 8.167 361 HA GLU 42 HA GLU 42 8.406 11.240 7.796 362 HB2 GLU 42 HB2 GLU 42 9.693 11.017 9.932 363 HB3 GLU 42 HB1 GLU 42 8.030 10.454 10.020 364 HG2 GLU 42 HG2 GLU 42 8.676 8.202 10.049 365 HG3 GLU 42 HG1 GLU 42 10.312 8.576 9.508 366 H GLU 43 HN GLU 43 9.933 8.609 6.495 367 HA GLU 43 HA GLU 43 12.528 10.003 6.411 368 HB2 GLU 43 HB2 GLU 43 11.926 7.055 6.111 369 HB3 GLU 43 HB1 GLU 43 13.507 7.777 5.837 370 HG2 GLU 43 HG2 GLU 43 13.159 8.689 8.272 371 HG3 GLU 43 HG1 GLU 43 12.039 7.331 8.383 372 H HIS 44 HN HIS 44 9.904 9.965 4.748 373 HA HIS 44 HA HIS 44 10.934 9.217 2.137 374 HB2 HIS 44 HB2 HIS 44 8.569 8.728 2.857 375 HB3 HIS 44 HB1 HIS 44 8.262 10.459 2.820 376 HD1 HIS 44 HD1 HIS 44 7.251 11.236 0.690 377 HD2 HIS 44 HD2 HIS 44 9.543 7.799 0.175 378 HE1 HIS 44 HE1 HIS 44 7.082 10.622 -1.756 379 HA PRO 45 HA PRO 45 12.540 13.339 1.566 380 HB2 PRO 45 HB2 PRO 45 13.188 13.069 -1.063 381 HB3 PRO 45 HB1 PRO 45 14.155 12.385 0.251 382 HG2 PRO 45 HG2 PRO 45 12.145 11.033 -1.498 383 HG3 PRO 45 HG1 PRO 45 13.733 10.454 -0.952 384 HD2 PRO 45 HD2 PRO 45 11.438 9.640 0.197 385 HD3 PRO 45 HD1 PRO 45 12.944 9.830 1.116 386 H GLY 46 HN GLY 46 9.922 11.969 -0.255 387 HA2 GLY 46 HA2 GLY 46 9.309 14.522 -1.532 388 HA3 GLY 46 HA1 GLY 46 8.496 12.993 -1.828 389 H GLY 47 HN GLY 47 8.958 13.727 1.464 390 HA2 GLY 47 HA2 GLY 47 7.571 14.760 3.033 391 HA3 GLY 47 HA1 GLY 47 6.459 15.180 1.736 392 H GLU 48 HN GLU 48 5.512 14.237 4.124 393 HA GLU 48 HA GLU 48 4.881 11.407 3.727 394 HB2 GLU 48 HB2 GLU 48 4.015 11.487 6.004 395 HB3 GLU 48 HB1 GLU 48 5.646 12.145 5.944 396 HG2 GLU 48 HG2 GLU 48 4.378 14.420 5.662 397 HG3 GLU 48 HG1 GLU 48 3.058 13.528 6.414 398 H GLU 49 HN GLU 49 3.501 14.532 3.384 399 HA GLU 49 HA GLU 49 0.800 14.124 3.783 400 HB2 GLU 49 HB2 GLU 49 1.826 16.309 3.331 401 HB3 GLU 49 HB1 GLU 49 2.103 15.835 1.662 402 HG2 GLU 49 HG2 GLU 49 0.168 17.279 1.849 403 HG3 GLU 49 HG1 GLU 49 -0.296 15.673 1.294 404 H VAL 50 HN VAL 50 2.583 13.712 0.722 405 HA VAL 50 HA VAL 50 0.360 12.835 -0.770 406 HB VAL 50 HB VAL 50 2.026 11.989 -2.414 407 HG11 VAL 50 HG11 VAL 50 2.947 14.184 -2.966 408 HG12 VAL 50 HG12 VAL 50 2.562 14.760 -1.342 409 HG13 VAL 50 HG13 VAL 50 1.264 14.311 -2.452 410 HG21 VAL 50 HG21 VAL 50 4.422 12.480 -1.993 411 HG22 VAL 50 HG22 VAL 50 3.772 11.239 -0.921 412 HG23 VAL 50 HG23 VAL 50 4.017 12.880 -0.322 413 H LEU 51 HN LEU 51 2.227 11.208 1.579 414 HA LEU 51 HA LEU 51 1.705 8.565 0.497 415 HB2 LEU 51 HB2 LEU 51 2.926 9.312 3.147 416 HB3 LEU 51 HB1 LEU 51 2.952 7.731 2.392 417 HG LEU 51 HG LEU 51 4.328 10.189 1.306 418 HD11 LEU 51 HD11 LEU 51 6.388 9.143 2.036 419 HD12 LEU 51 HD12 LEU 51 5.489 7.775 2.693 420 HD13 LEU 51 HD13 LEU 51 5.306 9.373 3.411 421 HD21 LEU 51 HD21 LEU 51 4.426 7.300 0.432 422 HD22 LEU 51 HD22 LEU 51 5.424 8.603 -0.211 423 HD23 LEU 51 HD23 LEU 51 3.678 8.631 -0.451 424 H ARG 52 HN ARG 52 0.791 10.451 3.376 425 HA ARG 52 HA ARG 52 -0.874 8.436 4.448 426 HB2 ARG 52 HB2 ARG 52 -1.843 10.328 5.837 427 HB3 ARG 52 HB1 ARG 52 -0.121 10.028 5.999 428 HG2 ARG 52 HG2 ARG 52 -0.214 12.323 5.910 429 HG3 ARG 52 HG1 ARG 52 0.123 11.908 4.231 430 HD2 ARG 52 HD2 ARG 52 -1.592 13.624 4.369 431 HD3 ARG 52 HD1 ARG 52 -2.248 12.135 3.694 432 HE ARG 52 HE ARG 52 -3.022 11.773 6.138 433 HH11 ARG 52 HH11 ARG 52 -2.824 14.852 4.433 434 HH12 ARG 52 HH12 ARG 52 -4.177 15.585 5.386 435 HH21 ARG 52 HH21 ARG 52 -4.737 12.659 7.353 436 HH22 ARG 52 HH22 ARG 52 -5.249 14.357 7.019 437 H GLU 53 HN GLU 53 -1.494 10.899 2.041 438 HA GLU 53 HA GLU 53 -4.342 10.683 2.295 439 HB2 GLU 53 HB2 GLU 53 -4.471 12.079 0.308 440 HB3 GLU 53 HB1 GLU 53 -3.319 12.742 1.456 441 HG2 GLU 53 HG2 GLU 53 -1.498 12.224 0.138 442 HG3 GLU 53 HG1 GLU 53 -2.371 10.989 -0.766 443 H GLN 54 HN GLN 54 -1.873 9.111 0.381 444 HA GLN 54 HA GLN 54 -3.901 7.736 -1.205 445 HB2 GLN 54 HB2 GLN 54 -0.887 7.758 -1.383 446 HB3 GLN 54 HB1 GLN 54 -1.918 6.766 -2.406 447 HG2 GLN 54 HG2 GLN 54 -1.811 9.767 -2.288 448 HG3 GLN 54 HG1 GLN 54 -1.319 8.726 -3.621 449 HE21 GLN 54 HE21 GLN 54 -3.353 10.927 -3.322 450 HE22 GLN 54 HE22 GLN 54 -4.822 10.236 -3.935 451 H ALA 55 HN ALA 55 -2.714 7.351 1.748 452 HA ALA 55 HA ALA 55 -1.873 4.672 1.880 453 HB1 ALA 55 HB1 ALA 55 -3.273 6.317 3.987 454 HB2 ALA 55 HB2 ALA 55 -1.533 6.249 3.714 455 HB3 ALA 55 HB3 ALA 55 -2.397 4.813 4.264 456 H GLY 56 HN GLY 56 -2.960 2.804 1.765 457 HA2 GLY 56 HA2 GLY 56 -4.754 1.325 1.945 458 HA3 GLY 56 HA1 GLY 56 -5.798 2.674 2.377 459 H GLY 57 HN GLY 57 -4.096 3.605 -0.259 460 HA2 GLY 57 HA2 GLY 57 -6.141 2.578 -2.113 461 HA3 GLY 57 HA1 GLY 57 -5.620 4.255 -2.130 462 H ASP 58 HN ASP 58 -5.357 3.397 -4.447 463 HA ASP 58 HA ASP 58 -2.745 2.107 -4.808 464 HB2 ASP 58 HB2 ASP 58 -4.480 0.998 -6.029 465 HB3 ASP 58 HB1 ASP 58 -5.086 2.522 -6.670 466 H ALA 59 HN ALA 59 -1.045 3.297 -5.322 467 HA ALA 59 HA ALA 59 -1.513 5.915 -6.601 468 HB1 ALA 59 HB1 ALA 59 0.406 6.803 -5.358 469 HB2 ALA 59 HB2 ALA 59 0.575 5.259 -4.523 470 HB3 ALA 59 HB3 ALA 59 -0.868 6.242 -4.274 471 H THR 60 HN THR 60 -0.922 3.303 -7.801 472 HA THR 60 HA THR 60 1.772 3.086 -8.548 473 HB THR 60 HB THR 60 -0.633 2.219 -10.166 474 HG1 THR 60 HG1 THR 60 -0.870 1.207 -8.229 475 HG21 THR 60 HG21 THR 60 2.221 1.224 -10.113 476 HG22 THR 60 HG22 THR 60 1.445 2.105 -11.430 477 HG23 THR 60 HG23 THR 60 0.899 0.480 -11.012 478 H GLU 61 HN GLU 61 -0.814 5.085 -9.782 479 HA GLU 61 HA GLU 61 0.451 5.759 -12.238 480 HB2 GLU 61 HB2 GLU 61 -1.191 7.897 -11.726 481 HB3 GLU 61 HB1 GLU 61 -1.665 6.431 -12.562 482 HG2 GLU 61 HG2 GLU 61 -3.331 6.754 -10.991 483 HG3 GLU 61 HG1 GLU 61 -2.297 5.533 -10.257 484 H ASN 62 HN ASN 62 0.305 7.286 -9.054 485 HA ASN 62 HA ASN 62 1.839 9.568 -9.749 486 HB2 ASN 62 HB2 ASN 62 0.429 8.792 -7.529 487 HB3 ASN 62 HB1 ASN 62 2.089 8.639 -6.968 488 HD21 ASN 62 HD21 ASN 62 -0.460 10.737 -7.686 489 HD22 ASN 62 HD22 ASN 62 0.360 12.229 -7.385 490 H PHE 63 HN PHE 63 2.626 6.375 -8.574 491 HA PHE 63 HA PHE 63 5.288 6.677 -7.864 492 HB2 PHE 63 HB2 PHE 63 4.124 4.633 -7.386 493 HB3 PHE 63 HB1 PHE 63 3.811 4.337 -9.088 494 HD1 PHE 63 HD2 PHE 63 6.476 4.463 -6.531 495 HD2 PHE 63 HD1 PHE 63 5.332 3.136 -10.407 496 HE1 PHE 63 HE2 PHE 63 8.506 3.081 -6.653 497 HE2 PHE 63 HE1 PHE 63 7.356 1.746 -10.536 498 HZ PHE 63 HZ PHE 63 8.947 1.719 -8.658 499 H GLU 64 HN GLU 64 3.966 5.765 -11.057 500 HA GLU 64 HA GLU 64 6.562 5.897 -12.290 501 HB2 GLU 64 HB2 GLU 64 5.380 5.436 -14.386 502 HB3 GLU 64 HB1 GLU 64 4.891 4.317 -13.123 503 HG2 GLU 64 HG2 GLU 64 2.838 5.557 -12.785 504 HG3 GLU 64 HG1 GLU 64 3.334 6.742 -13.992 505 H ASP 65 HN ASP 65 3.950 8.085 -11.740 506 HA ASP 65 HA ASP 65 4.437 9.967 -13.780 507 HB2 ASP 65 HB2 ASP 65 2.382 9.954 -12.422 508 HB3 ASP 65 HB1 ASP 65 3.317 10.414 -11.004 509 H VAL 66 HN VAL 66 5.589 9.745 -10.444 510 HA VAL 66 HA VAL 66 7.249 12.066 -10.602 511 HB VAL 66 HB VAL 66 7.266 9.770 -8.634 512 HG11 VAL 66 HG11 VAL 66 9.427 11.082 -8.846 513 HG12 VAL 66 HG12 VAL 66 8.695 11.022 -7.243 514 HG13 VAL 66 HG13 VAL 66 8.527 12.471 -8.235 515 HG21 VAL 66 HG21 VAL 66 5.187 11.125 -8.708 516 HG22 VAL 66 HG22 VAL 66 6.149 12.555 -8.335 517 HG23 VAL 66 HG23 VAL 66 6.041 11.235 -7.171 518 H GLY 67 HN GLY 67 7.888 8.566 -10.640 519 HA2 GLY 67 HA2 GLY 67 9.504 7.518 -12.002 520 HA3 GLY 67 HA1 GLY 67 10.307 9.068 -12.205 521 H HIS 68 HN HIS 68 10.058 6.211 -10.312 522 HA HIS 68 HA HIS 68 11.909 7.230 -8.296 523 HB2 HIS 68 HB2 HIS 68 10.273 4.708 -8.523 524 HB3 HIS 68 HB1 HIS 68 11.538 4.886 -7.313 525 HD1 HIS 68 HD1 HIS 68 8.356 6.728 -8.368 526 HD2 HIS 68 HD2 HIS 68 10.692 5.956 -5.011 527 HE1 HIS 68 HE1 HIS 68 7.140 7.758 -6.407 528 H SER 69 HN SER 69 13.974 6.415 -7.994 529 HA SER 69 HA SER 69 15.325 5.461 -10.284 530 HB2 SER 69 HB2 SER 69 17.229 5.115 -8.638 531 HB3 SER 69 HB1 SER 69 16.559 6.743 -8.698 532 HG SER 69 HG SER 69 15.552 6.423 -6.780 533 H THR 70 HN THR 70 16.582 3.437 -10.412 534 HA THR 70 HA THR 70 14.944 1.186 -10.129 535 HB THR 70 HB THR 70 17.931 0.951 -10.324 536 HG1 THR 70 HG1 THR 70 17.000 1.177 -12.758 537 HG21 THR 70 HG21 THR 70 15.741 -0.481 -11.825 538 HG22 THR 70 HG22 THR 70 16.382 -1.047 -10.283 539 HG23 THR 70 HG23 THR 70 17.438 -0.940 -11.690 540 H ASP 71 HN ASP 71 17.441 2.531 -8.060 541 HA ASP 71 HA ASP 71 17.611 0.277 -6.325 542 HB2 ASP 71 HB2 ASP 71 19.422 1.920 -6.470 543 HB3 ASP 71 HB1 ASP 71 18.355 3.170 -5.836 544 H ALA 72 HN ALA 72 15.725 3.259 -6.322 545 HA ALA 72 HA ALA 72 14.623 3.009 -3.741 546 HB1 ALA 72 HB1 ALA 72 13.530 4.402 -6.179 547 HB2 ALA 72 HB2 ALA 72 14.568 5.107 -4.941 548 HB3 ALA 72 HB3 ALA 72 12.924 4.608 -4.536 549 H ARG 73 HN ARG 73 13.385 1.982 -6.925 550 HA ARG 73 HA ARG 73 10.963 0.942 -5.893 551 HB2 ARG 73 HB2 ARG 73 10.826 -0.300 -8.077 552 HB3 ARG 73 HB1 ARG 73 11.001 1.443 -8.209 553 HG2 ARG 73 HG2 ARG 73 12.706 1.122 -9.574 554 HG3 ARG 73 HG1 ARG 73 13.602 0.393 -8.241 555 HD2 ARG 73 HD2 ARG 73 13.579 -1.132 -10.101 556 HD3 ARG 73 HD1 ARG 73 12.591 -1.789 -8.800 557 HE ARG 73 HE ARG 73 11.248 -0.303 -10.929 558 HH11 ARG 73 HH11 ARG 73 12.058 -3.400 -9.437 559 HH12 ARG 73 HH12 ARG 73 10.721 -4.272 -10.286 560 HH21 ARG 73 HH21 ARG 73 9.572 -1.374 -12.028 561 HH22 ARG 73 HH22 ARG 73 9.342 -3.143 -11.751 562 H GLU 74 HN GLU 74 14.149 -0.473 -6.365 563 HA GLU 74 HA GLU 74 13.297 -3.141 -5.786 564 HB2 GLU 74 HB2 GLU 74 16.032 -1.858 -5.842 565 HB3 GLU 74 HB1 GLU 74 15.778 -3.559 -5.477 566 HG2 GLU 74 HG2 GLU 74 15.126 -2.135 -8.045 567 HG3 GLU 74 HG1 GLU 74 16.383 -3.341 -7.777 568 H LEU 75 HN LEU 75 14.170 -0.381 -3.915 569 HA LEU 75 HA LEU 75 14.840 -1.707 -1.496 570 HB2 LEU 75 HB2 LEU 75 15.478 0.599 -1.826 571 HB3 LEU 75 HB1 LEU 75 13.807 1.074 -2.054 572 HG LEU 75 HG LEU 75 13.448 0.280 0.370 573 HD11 LEU 75 HD11 LEU 75 15.413 0.361 1.795 574 HD12 LEU 75 HD12 LEU 75 16.442 0.602 0.385 575 HD13 LEU 75 HD13 LEU 75 15.569 -0.915 0.588 576 HD21 LEU 75 HD21 LEU 75 14.102 2.438 1.243 577 HD22 LEU 75 HD22 LEU 75 13.429 2.630 -0.373 578 HD23 LEU 75 HD23 LEU 75 15.172 2.702 -0.132 579 H SER 76 HN SER 76 11.887 -0.886 -3.081 580 HA SER 76 HA SER 76 10.165 -1.049 -0.833 581 HB2 SER 76 HB2 SER 76 9.528 -1.416 -3.768 582 HB3 SER 76 HB1 SER 76 8.357 -1.110 -2.483 583 HG SER 76 HG SER 76 10.507 0.651 -3.067 584 H LYS 77 HN LYS 77 11.898 -3.396 -2.496 585 HA LYS 77 HA LYS 77 10.086 -5.569 -2.451 586 HB2 LYS 77 HB2 LYS 77 12.339 -5.324 -3.692 587 HB3 LYS 77 HB1 LYS 77 13.066 -5.858 -2.185 588 HG2 LYS 77 HG2 LYS 77 11.710 -7.916 -2.296 589 HG3 LYS 77 HG1 LYS 77 11.089 -7.388 -3.863 590 HD2 LYS 77 HD2 LYS 77 13.488 -7.264 -4.640 591 HD3 LYS 77 HD1 LYS 77 13.932 -8.069 -3.134 592 HE2 LYS 77 HE2 LYS 77 12.458 -9.953 -3.740 593 HE3 LYS 77 HE1 LYS 77 12.090 -9.152 -5.267 594 HZ1 LYS 77 HZ1 LYS 77 13.810 -10.815 -5.547 595 HZ2 LYS 77 HZ2 LYS 77 14.777 -10.061 -4.386 596 HZ3 LYS 77 HZ3 LYS 77 14.441 -9.274 -5.846 597 H THR 78 HN THR 78 11.786 -3.954 0.028 598 HA THR 78 HA THR 78 11.520 -6.235 1.845 599 HB THR 78 HB THR 78 13.675 -4.826 1.683 600 HG1 THR 78 HG1 THR 78 12.386 -5.350 4.176 601 HG21 THR 78 HG21 THR 78 12.599 -2.618 1.781 602 HG22 THR 78 HG22 THR 78 13.767 -2.835 3.087 603 HG23 THR 78 HG23 THR 78 12.038 -2.971 3.416 604 H PHE 79 HN PHE 79 9.654 -3.741 0.799 605 HA PHE 79 HA PHE 79 8.445 -3.268 3.437 606 HB2 PHE 79 HB2 PHE 79 8.230 -1.724 0.850 607 HB3 PHE 79 HB1 PHE 79 7.222 -1.396 2.253 608 HD1 PHE 79 HD2 PHE 79 9.180 -1.696 4.452 609 HD2 PHE 79 HD1 PHE 79 9.556 0.163 0.640 610 HE1 PHE 79 HE2 PHE 79 10.926 -0.216 5.349 611 HE2 PHE 79 HE1 PHE 79 11.300 1.648 1.535 612 HZ PHE 79 HZ PHE 79 11.988 1.460 3.894 613 H ILE 80 HN ILE 80 7.938 -4.868 0.447 614 HA ILE 80 HA ILE 80 5.094 -4.905 0.500 615 HB ILE 80 HB ILE 80 6.119 -5.342 -1.601 616 HG12 ILE 80 HG12 ILE 80 5.004 -7.952 -0.551 617 HG13 ILE 80 HG11 ILE 80 4.044 -6.595 -1.128 618 HG21 ILE 80 HG21 ILE 80 8.272 -6.143 -0.913 619 HG22 ILE 80 HG22 ILE 80 7.548 -7.329 -2.001 620 HG23 ILE 80 HG23 ILE 80 7.562 -7.622 -0.261 621 HD11 ILE 80 HD11 ILE 80 4.201 -8.334 -2.803 622 HD12 ILE 80 HD12 ILE 80 5.960 -8.227 -2.772 623 HD13 ILE 80 HD13 ILE 80 5.006 -6.863 -3.350 624 H ILE 81 HN ILE 81 3.805 -5.989 1.794 625 HA ILE 81 HA ILE 81 4.902 -8.324 3.215 626 HB ILE 81 HB ILE 81 3.430 -7.917 5.055 627 HG12 ILE 81 HG12 ILE 81 1.609 -6.923 3.493 628 HG13 ILE 81 HG11 ILE 81 1.709 -6.354 5.154 629 HG21 ILE 81 HG21 ILE 81 4.826 -5.381 4.236 630 HG22 ILE 81 HG22 ILE 81 5.520 -6.730 5.138 631 HG23 ILE 81 HG23 ILE 81 4.249 -5.743 5.863 632 HD11 ILE 81 HD11 ILE 81 3.012 -4.397 4.313 633 HD12 ILE 81 HD12 ILE 81 1.348 -4.481 3.740 634 HD13 ILE 81 HD13 ILE 81 2.673 -4.950 2.675 635 H GLY 82 HN GLY 82 2.885 -7.523 0.752 636 HA2 GLY 82 HA2 GLY 82 1.828 -10.061 0.445 637 HA3 GLY 82 HA1 GLY 82 0.626 -9.137 1.329 638 H GLU 83 HN GLU 83 -0.513 -9.845 -0.698 639 HA GLU 83 HA GLU 83 -0.348 -7.693 -2.690 640 HB2 GLU 83 HB2 GLU 83 -0.087 -10.602 -3.111 641 HB3 GLU 83 HB1 GLU 83 -1.195 -9.786 -4.202 642 HG2 GLU 83 HG2 GLU 83 0.603 -8.239 -4.836 643 HG3 GLU 83 HG1 GLU 83 1.709 -9.118 -3.780 644 H LEU 84 HN LEU 84 -2.366 -7.718 -4.086 645 HA LEU 84 HA LEU 84 -4.671 -7.828 -2.336 646 HB2 LEU 84 HB2 LEU 84 -3.901 -6.389 -4.722 647 HB3 LEU 84 HB1 LEU 84 -5.482 -7.115 -4.931 648 HG LEU 84 HG LEU 84 -5.668 -4.827 -4.136 649 HD11 LEU 84 HD11 LEU 84 -7.144 -5.207 -2.259 650 HD12 LEU 84 HD12 LEU 84 -6.435 -6.800 -1.994 651 HD13 LEU 84 HD13 LEU 84 -7.354 -6.478 -3.464 652 HD21 LEU 84 HD21 LEU 84 -3.527 -4.701 -2.951 653 HD22 LEU 84 HD22 LEU 84 -4.163 -5.772 -1.703 654 HD23 LEU 84 HD23 LEU 84 -4.871 -4.175 -1.937 655 H HIS 85 HN HIS 85 -6.539 -9.039 -2.716 656 HA HIS 85 HA HIS 85 -6.220 -11.665 -3.627 657 HB2 HIS 85 HB2 HIS 85 -8.622 -9.971 -3.009 658 HB3 HIS 85 HB1 HIS 85 -8.844 -11.561 -3.727 659 HD1 HIS 85 HD1 HIS 85 -10.088 -12.133 -1.431 660 HD2 HIS 85 HD2 HIS 85 -6.005 -11.430 -1.141 661 HE1 HIS 85 HE1 HIS 85 -9.404 -13.033 0.814 662 HE2 HIS 85 HE2 HIS 85 -6.975 -12.410 1.045 663 HA PRO 86 HA PRO 86 -6.514 -11.410 -8.043 664 HB2 PRO 86 HB2 PRO 86 -7.855 -13.766 -8.544 665 HB3 PRO 86 HB1 PRO 86 -6.120 -13.654 -8.232 666 HG2 PRO 86 HG2 PRO 86 -8.313 -14.400 -6.363 667 HG3 PRO 86 HG1 PRO 86 -6.686 -15.084 -6.517 668 HD2 PRO 86 HD2 PRO 86 -7.300 -13.374 -4.548 669 HD3 PRO 86 HD1 PRO 86 -5.698 -13.379 -5.314 670 H ASP 87 HN ASP 87 -9.386 -12.209 -6.170 671 HA ASP 87 HA ASP 87 -11.300 -11.677 -8.197 672 HB2 ASP 87 HB2 ASP 87 -12.000 -11.235 -5.327 673 HB3 ASP 87 HB1 ASP 87 -12.911 -12.057 -6.587 674 H ASP 88 HN ASP 88 -9.512 -9.687 -5.998 675 HA ASP 88 HA ASP 88 -11.172 -7.351 -6.580 676 HB2 ASP 88 HB2 ASP 88 -8.972 -7.900 -4.596 677 HB3 ASP 88 HB1 ASP 88 -9.488 -6.256 -4.948 678 H ARG 89 HN ARG 89 -8.879 -8.925 -8.131 679 HA ARG 89 HA ARG 89 -7.400 -6.523 -8.947 680 HB2 ARG 89 HB2 ARG 89 -6.163 -8.552 -8.016 681 HB3 ARG 89 HB1 ARG 89 -6.589 -9.366 -9.515 682 HG2 ARG 89 HG2 ARG 89 -5.419 -7.587 -10.769 683 HG3 ARG 89 HG1 ARG 89 -4.922 -6.875 -9.233 684 HD2 ARG 89 HD2 ARG 89 -4.196 -9.598 -10.298 685 HD3 ARG 89 HD1 ARG 89 -3.122 -8.219 -10.085 686 HE ARG 89 HE ARG 89 -4.416 -9.155 -7.671 687 HH11 ARG 89 HH11 ARG 89 -1.564 -9.323 -9.750 688 HH12 ARG 89 HH12 ARG 89 -0.532 -10.042 -8.456 689 HH21 ARG 89 HH21 ARG 89 -3.120 -10.049 -6.002 690 HH22 ARG 89 HH22 ARG 89 -1.379 -10.423 -6.363 691 H SER 90 HN SER 90 -8.684 -9.557 -10.358 692 HA SER 90 HA SER 90 -9.176 -8.022 -12.825 693 HB2 SER 90 HB2 SER 90 -8.907 -10.368 -13.922 694 HB3 SER 90 HB1 SER 90 -7.461 -9.486 -13.422 695 HG SER 90 HG SER 90 -8.589 -11.800 -12.387 696 H LYS 91 HN LYS 91 -11.080 -8.431 -10.629 697 HA LYS 91 HA LYS 91 -13.177 -9.688 -12.240 698 HB2 LYS 91 HB2 LYS 91 -12.247 -11.314 -10.504 699 HB3 LYS 91 HB1 LYS 91 -12.952 -10.262 -9.287 700 HG2 LYS 91 HG2 LYS 91 -15.152 -10.587 -10.563 701 HG3 LYS 91 HG1 LYS 91 -14.330 -11.930 -11.358 702 HD2 LYS 91 HD2 LYS 91 -14.402 -11.685 -8.368 703 HD3 LYS 91 HD1 LYS 91 -15.728 -12.426 -9.261 704 HE2 LYS 91 HE2 LYS 91 -12.875 -13.309 -9.598 705 HE3 LYS 91 HE1 LYS 91 -13.921 -13.977 -8.347 706 HZ1 LYS 91 HZ1 LYS 91 -13.979 -15.382 -10.274 707 HZ2 LYS 91 HZ2 LYS 91 -14.391 -14.085 -11.280 708 HZ3 LYS 91 HZ3 LYS 91 -15.485 -14.630 -10.110 709 H LEU 92 HN LEU 92 -12.840 -8.292 -8.989 710 HA LEU 92 HA LEU 92 -13.783 -6.523 -7.954 711 HB2 LEU 92 HB2 LEU 92 -14.047 -5.661 -10.803 712 HB3 LEU 92 HB1 LEU 92 -14.835 -4.732 -9.544 713 HG LEU 92 HG LEU 92 -12.775 -3.657 -9.965 714 HD11 LEU 92 HD11 LEU 92 -11.697 -3.687 -7.869 715 HD12 LEU 92 HD12 LEU 92 -12.192 -5.351 -7.558 716 HD13 LEU 92 HD13 LEU 92 -13.395 -4.060 -7.563 717 HD21 LEU 92 HD21 LEU 92 -11.408 -6.323 -9.662 718 HD22 LEU 92 HD22 LEU 92 -10.626 -4.774 -9.973 719 HD23 LEU 92 HD23 LEU 92 -11.694 -5.479 -11.186 720 H SER 93 HN SER 93 -15.406 -8.924 -8.928 721 HA SER 93 HA SER 93 -18.087 -7.828 -9.013 722 HB2 SER 93 HB2 SER 93 -17.326 -10.746 -8.840 723 HB3 SER 93 HB1 SER 93 -18.828 -10.054 -9.451 724 HG SER 93 HG SER 93 -17.921 -9.829 -11.324 725 H LYS 94 HN LYS 94 -17.756 -6.802 -6.880 726 HA LYS 94 HA LYS 94 -18.731 -8.564 -4.772 727 HB2 LYS 94 HB2 LYS 94 -16.188 -6.958 -4.640 728 HB3 LYS 94 HB1 LYS 94 -17.116 -7.268 -3.180 729 HG2 LYS 94 HG2 LYS 94 -16.712 -9.549 -3.248 730 HG3 LYS 94 HG1 LYS 94 -16.319 -9.527 -4.968 731 HD2 LYS 94 HD2 LYS 94 -14.272 -9.823 -3.810 732 HD3 LYS 94 HD1 LYS 94 -14.291 -8.153 -4.371 733 HE2 LYS 94 HE2 LYS 94 -15.484 -8.116 -1.840 734 HE3 LYS 94 HE1 LYS 94 -14.091 -9.185 -1.693 735 HZ1 LYS 94 HZ1 LYS 94 -13.252 -7.075 -1.233 736 HZ2 LYS 94 HZ2 LYS 94 -14.147 -6.342 -2.468 737 HZ3 LYS 94 HZ3 LYS 94 -12.823 -7.320 -2.864 738 HA PRO 95 HA PRO 95 -21.350 -5.006 -4.296 739 HB2 PRO 95 HB2 PRO 95 -22.559 -5.716 -1.972 740 HB3 PRO 95 HB1 PRO 95 -22.951 -6.465 -3.525 741 HG2 PRO 95 HG2 PRO 95 -21.208 -7.491 -1.333 742 HG3 PRO 95 HG1 PRO 95 -22.379 -8.364 -2.343 743 HD2 PRO 95 HD2 PRO 95 -19.703 -8.442 -2.785 744 HD3 PRO 95 HD1 PRO 95 -20.907 -8.605 -4.078 745 H MET 96 HN MET 96 -21.173 -3.035 -3.307 746 HA MET 96 HA MET 96 -19.184 -2.832 -1.166 747 HB2 MET 96 HB2 MET 96 -18.744 -1.445 -3.118 748 HB3 MET 96 HB1 MET 96 -20.325 -0.687 -2.966 749 HG2 MET 96 HG2 MET 96 -19.715 0.489 -1.051 750 HG3 MET 96 HG1 MET 96 -18.339 -0.563 -0.732 751 HE1 MET 96 HE1 MET 96 -19.806 2.214 -3.067 752 HE2 MET 96 HE2 MET 96 -19.298 1.004 -4.245 753 HE3 MET 96 HE3 MET 96 -18.451 2.548 -4.143 754 H GLU 97 HN GLU 97 -22.172 -1.064 -2.007 755 HA GLU 97 HA GLU 97 -23.918 -0.326 -0.769 756 HB2 GLU 97 HB2 GLU 97 -24.216 -2.656 -0.129 757 HB3 GLU 97 HB1 GLU 97 -23.025 -2.484 1.152 758 HG2 GLU 97 HG2 GLU 97 -25.097 -0.515 1.453 759 HG3 GLU 97 HG1 GLU 97 -25.796 -2.130 1.322 760 H THR 98 HN THR 98 -23.711 1.690 -0.046 761 HA THR 98 HA THR 98 -22.661 2.216 2.558 762 HB THR 98 HB THR 98 -20.561 2.067 1.218 763 HG1 THR 98 HG1 THR 98 -19.686 3.914 2.135 764 HG21 THR 98 HG21 THR 98 -21.509 2.982 -0.890 765 HG22 THR 98 HG22 THR 98 -20.003 3.756 -0.403 766 HG23 THR 98 HG23 THR 98 -21.541 4.575 -0.141 767 H LEU 99 HN LEU 99 -22.469 4.753 2.818 768 HA LEU 99 HA LEU 99 -23.571 6.733 2.956 769 HB2 LEU 99 HB2 LEU 99 -24.351 6.056 0.117 770 HB3 LEU 99 HB1 LEU 99 -24.625 7.613 0.873 771 HG LEU 99 HG LEU 99 -21.871 6.427 0.590 772 HD11 LEU 99 HD11 LEU 99 -22.805 6.611 -1.634 773 HD12 LEU 99 HD12 LEU 99 -21.599 7.870 -1.378 774 HD13 LEU 99 HD13 LEU 99 -23.314 8.267 -1.308 775 HD21 LEU 99 HD21 LEU 99 -22.023 8.177 2.233 776 HD22 LEU 99 HD22 LEU 99 -22.895 9.214 1.106 777 HD23 LEU 99 HD23 LEU 99 -21.207 8.805 0.803 778 H ILE 100 HN ILE 100 -24.888 4.350 3.855 779 HA ILE 100 HA ILE 100 -27.669 4.553 3.148 780 HB ILE 100 HB ILE 100 -27.916 2.920 5.128 781 HG12 ILE 100 HG12 ILE 100 -24.930 2.675 4.695 782 HG13 ILE 100 HG11 ILE 100 -25.649 3.493 6.078 783 HG21 ILE 100 HG21 ILE 100 -26.317 2.190 2.679 784 HG22 ILE 100 HG22 ILE 100 -28.073 2.251 2.807 785 HG23 ILE 100 HG23 ILE 100 -27.166 1.046 3.718 786 HD11 ILE 100 HD11 ILE 100 -24.954 1.228 6.628 787 HD12 ILE 100 HD12 ILE 100 -26.012 0.594 5.367 788 HD13 ILE 100 HD13 ILE 100 -26.702 1.411 6.770 789 H THR 101 HN THR 101 -25.745 5.291 6.055 790 HA THR 101 HA THR 101 -28.072 6.462 7.337 791 HB THR 101 HB THR 101 -25.362 6.688 8.552 792 HG1 THR 101 HG1 THR 101 -25.101 4.582 8.781 793 HG21 THR 101 HG21 THR 101 -26.646 6.082 10.585 794 HG22 THR 101 HG22 THR 101 -28.100 5.956 9.595 795 HG23 THR 101 HG23 THR 101 -27.286 7.511 9.774 796 H THR 102 HN THR 102 -28.292 8.626 7.867 797 HA THR 102 HA THR 102 -27.013 10.486 6.112 798 HB THR 102 HB THR 102 -28.458 11.767 8.250 799 HG1 THR 102 HG1 THR 102 -29.982 9.788 6.874 800 HG21 THR 102 HG21 THR 102 -28.199 12.657 5.981 801 HG22 THR 102 HG22 THR 102 -29.902 12.490 6.406 802 HG23 THR 102 HG23 THR 102 -29.138 11.311 5.340 803 H VAL 103 HN VAL 103 -25.095 11.402 6.478 804 HA VAL 103 HA VAL 103 -24.050 11.489 9.214 805 HB VAL 103 HB VAL 103 -21.875 12.031 8.164 806 HG11 VAL 103 HG11 VAL 103 -23.202 9.580 7.011 807 HG12 VAL 103 HG12 VAL 103 -22.495 9.701 8.621 808 HG13 VAL 103 HG13 VAL 103 -21.466 9.831 7.194 809 HG21 VAL 103 HG21 VAL 103 -21.572 11.966 5.774 810 HG22 VAL 103 HG22 VAL 103 -22.819 13.157 6.148 811 HG23 VAL 103 HG23 VAL 103 -23.270 11.570 5.529 812 H ASP 104 HN ASP 104 -25.690 13.393 7.102 813 HA ASP 104 HA ASP 104 -24.536 15.910 8.083 814 HB2 ASP 104 HB2 ASP 104 -25.801 16.959 6.220 815 HB3 ASP 104 HB1 ASP 104 -24.649 15.756 5.647 816 HHB HEM 400 HB HEM 400 11.596 5.012 -1.708 817 HHC HEM 400 HC HEM 400 5.325 5.159 -2.487 818 HHD HEM 400 HD HEM 400 5.741 11.069 -4.728 819 HMA HEM 400 HMA1 HEM 400 13.914 5.424 -2.660 820 HMAA HEM 400 HMA2 HEM 400 13.769 6.168 -1.072 821 HMAB HEM 400 HMA3 HEM 400 14.850 6.867 -2.269 822 HAA HEM 400 HAA1 HEM 400 14.698 9.419 -2.677 823 HAAA HEM 400 HAA2 HEM 400 13.941 10.017 -4.145 824 HBA HEM 400 HBA1 HEM 400 14.869 7.205 -4.254 825 HBAA HEM 400 HBA2 HEM 400 16.133 8.427 -4.139 826 HMB HEM 400 HMB1 HEM 400 9.846 2.188 -1.725 827 HMBA HEM 400 HMB2 HEM 400 9.452 2.726 -0.086 828 HMBB HEM 400 HMB3 HEM 400 10.888 3.337 -0.907 829 HAB HEM 400 HAB HEM 400 7.021 2.111 -1.774 830 HBB HEM 400 HBB1 HEM 400 5.259 4.302 -0.402 831 HBBA HEM 400 HBB2 HEM 400 4.925 2.418 -0.563 832 HMC HEM 400 HMC1 HEM 400 2.403 7.185 -3.822 833 HMCA HEM 400 HMC2 HEM 400 3.007 6.570 -2.279 834 HMCB HEM 400 HMC3 HEM 400 3.375 5.725 -3.786 835 HAC HEM 400 HAC HEM 400 3.559 10.180 -5.276 836 HBC HEM 400 HBC1 HEM 400 2.016 9.096 -2.783 837 HBCA HEM 400 HBC2 HEM 400 1.411 10.317 -4.135 838 HMD HEM 400 HMD1 HEM 400 7.273 13.740 -4.530 839 HMDA HEM 400 HMD2 HEM 400 6.562 12.727 -5.787 840 HMDB HEM 400 HMD3 HEM 400 8.040 13.638 -6.098 841 HAD HEM 400 HAD1 HEM 400 10.070 13.865 -5.335 842 HADA HEM 400 HAD2 HEM 400 11.286 13.107 -4.320 843 HBD HEM 400 HBD1 HEM 400 10.822 12.099 -7.114 844 HBDA HEM 400 HBD2 HEM 400 12.271 11.982 -6.115 845 HHA HEM 400 HA HEM 400 12.058 10.781 -4.257 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 19.063 -14.888 15.823 2 H2 MET 1 HT2 MET 1 20.389 -15.383 16.737 3 H3 MET 1 HT3 MET 1 20.285 -13.781 16.198 4 HA MET 1 HA MET 1 18.507 -15.109 18.159 5 HB2 MET 1 HB2 MET 1 20.783 -14.484 18.978 6 HB3 MET 1 HB1 MET 1 20.443 -12.814 18.538 7 HG2 MET 1 HG2 MET 1 18.509 -12.866 20.102 8 HG3 MET 1 HG1 MET 1 19.034 -14.466 20.623 9 HE1 MET 1 HE1 MET 1 18.595 -12.020 22.637 10 HE2 MET 1 HE2 MET 1 20.006 -12.220 23.674 11 HE3 MET 1 HE3 MET 1 19.106 -13.633 23.124 12 H ALA 2 HN ALA 2 19.381 -11.911 16.815 13 HA ALA 2 HA ALA 2 16.516 -11.224 16.891 14 HB1 ALA 2 HB1 ALA 2 17.789 -10.109 18.707 15 HB2 ALA 2 HB2 ALA 2 17.047 -8.981 17.572 16 HB3 ALA 2 HB3 ALA 2 18.777 -9.317 17.480 17 H ALA 3 HN ALA 3 17.666 -12.314 14.652 18 HA ALA 3 HA ALA 3 17.427 -10.092 12.786 19 HB1 ALA 3 HB1 ALA 3 19.844 -10.309 13.200 20 HB2 ALA 3 HB2 ALA 3 19.411 -10.689 11.533 21 HB3 ALA 3 HB3 ALA 3 19.768 -11.989 12.669 22 H GLN 4 HN GLN 4 15.629 -10.799 11.800 23 HA GLN 4 HA GLN 4 15.636 -13.544 10.730 24 HB2 GLN 4 HB2 GLN 4 13.183 -13.475 10.821 25 HB3 GLN 4 HB1 GLN 4 13.885 -13.217 12.413 26 HG2 GLN 4 HG2 GLN 4 13.570 -10.780 12.100 27 HG3 GLN 4 HG1 GLN 4 12.738 -11.125 10.584 28 HE21 GLN 4 HE21 GLN 4 10.779 -10.338 11.180 29 HE22 GLN 4 HE22 GLN 4 9.792 -11.051 12.408 30 H SER 5 HN SER 5 14.820 -13.836 8.597 31 HA SER 5 HA SER 5 14.393 -11.390 7.039 32 HB2 SER 5 HB2 SER 5 16.265 -13.597 6.160 33 HB3 SER 5 HB1 SER 5 15.961 -12.074 5.328 34 HG SER 5 HG SER 5 16.686 -11.343 7.692 35 H ASP 6 HN ASP 6 12.351 -12.902 7.821 36 HA ASP 6 HA ASP 6 11.730 -14.989 5.946 37 HB2 ASP 6 HB2 ASP 6 10.285 -13.661 8.206 38 HB3 ASP 6 HB1 ASP 6 9.375 -14.629 7.050 39 H LYS 7 HN LYS 7 10.838 -14.762 4.011 40 HA LYS 7 HA LYS 7 9.468 -12.227 3.395 41 HB2 LYS 7 HB2 LYS 7 11.260 -13.876 1.603 42 HB3 LYS 7 HB1 LYS 7 10.261 -12.548 1.035 43 HG2 LYS 7 HG2 LYS 7 12.556 -12.382 2.974 44 HG3 LYS 7 HG1 LYS 7 12.514 -11.782 1.316 45 HD2 LYS 7 HD2 LYS 7 10.602 -10.298 2.034 46 HD3 LYS 7 HD1 LYS 7 10.975 -10.765 3.694 47 HE2 LYS 7 HE2 LYS 7 13.390 -10.023 3.062 48 HE3 LYS 7 HE1 LYS 7 12.581 -9.131 1.774 49 HZ1 LYS 7 HZ1 LYS 7 12.396 -8.759 4.686 50 HZ2 LYS 7 HZ2 LYS 7 11.106 -8.288 3.699 51 HZ3 LYS 7 HZ3 LYS 7 12.633 -7.600 3.472 52 H ASP 8 HN ASP 8 7.424 -12.993 3.751 53 HA ASP 8 HA ASP 8 6.516 -15.174 1.988 54 HB2 ASP 8 HB2 ASP 8 6.373 -15.569 4.513 55 HB3 ASP 8 HB1 ASP 8 5.133 -14.317 4.538 56 H VAL 9 HN VAL 9 4.076 -14.916 1.480 57 HA VAL 9 HA VAL 9 3.436 -12.070 1.111 58 HB VAL 9 HB VAL 9 4.339 -12.746 -1.008 59 HG11 VAL 9 HG11 VAL 9 2.360 -15.023 -1.012 60 HG12 VAL 9 HG12 VAL 9 4.099 -15.173 -0.763 61 HG13 VAL 9 HG13 VAL 9 3.479 -14.605 -2.312 62 HG21 VAL 9 HG21 VAL 9 2.489 -11.272 -1.225 63 HG22 VAL 9 HG22 VAL 9 1.333 -12.592 -1.037 64 HG23 VAL 9 HG23 VAL 9 2.334 -12.495 -2.487 65 H LYS 10 HN LYS 10 1.644 -11.715 2.211 66 HA LYS 10 HA LYS 10 -0.385 -13.821 2.387 67 HB2 LYS 10 HB2 LYS 10 0.596 -12.417 4.388 68 HB3 LYS 10 HB1 LYS 10 -0.571 -11.218 3.852 69 HG2 LYS 10 HG2 LYS 10 -2.383 -12.779 4.178 70 HG3 LYS 10 HG1 LYS 10 -1.242 -14.052 4.614 71 HD2 LYS 10 HD2 LYS 10 -0.474 -12.499 6.481 72 HD3 LYS 10 HD1 LYS 10 -1.919 -11.547 6.132 73 HE2 LYS 10 HE2 LYS 10 -1.887 -14.471 6.872 74 HE3 LYS 10 HE1 LYS 10 -2.262 -13.147 7.974 75 HZ1 LYS 10 HZ1 LYS 10 -3.795 -13.839 5.528 76 HZ2 LYS 10 HZ2 LYS 10 -4.155 -12.581 6.598 77 HZ3 LYS 10 HZ3 LYS 10 -4.265 -14.183 7.115 78 H TYR 11 HN TYR 11 -2.357 -13.628 1.432 79 HA TYR 11 HA TYR 11 -2.694 -11.337 -0.338 80 HB2 TYR 11 HB2 TYR 11 -3.812 -14.098 -0.257 81 HB3 TYR 11 HB1 TYR 11 -4.750 -12.840 -1.057 82 HD1 TYR 11 HD2 TYR 11 -1.305 -14.288 -0.989 83 HD2 TYR 11 HD1 TYR 11 -4.313 -12.336 -3.278 84 HE1 TYR 11 HE2 TYR 11 0.076 -14.534 -3.009 85 HE2 TYR 11 HE1 TYR 11 -2.939 -12.578 -5.298 86 HH TYR 11 HH TYR 11 -0.192 -12.839 -5.628 87 H TYR 12 HN TYR 12 -3.684 -9.642 0.447 88 HA TYR 12 HA TYR 12 -5.747 -9.970 2.499 89 HB2 TYR 12 HB2 TYR 12 -4.402 -7.456 1.478 90 HB3 TYR 12 HB1 TYR 12 -5.523 -7.548 2.834 91 HD1 TYR 12 HD2 TYR 12 -4.836 -8.951 4.854 92 HD2 TYR 12 HD1 TYR 12 -2.110 -7.783 1.807 93 HE1 TYR 12 HE2 TYR 12 -2.955 -9.362 6.390 94 HE2 TYR 12 HE1 TYR 12 -0.223 -8.187 3.329 95 HH TYR 12 HH TYR 12 0.223 -8.310 5.724 96 H THR 13 HN THR 13 -7.701 -8.597 2.316 97 HA THR 13 HA THR 13 -8.748 -8.744 -0.398 98 HB THR 13 HB THR 13 -10.729 -7.856 1.434 99 HG1 THR 13 HG1 THR 13 -9.990 -10.246 2.518 100 HG21 THR 13 HG21 THR 13 -11.743 -10.027 0.916 101 HG22 THR 13 HG22 THR 13 -10.214 -10.587 0.237 102 HG23 THR 13 HG23 THR 13 -11.097 -9.269 -0.537 103 H LEU 14 HN LEU 14 -10.137 -6.951 -1.188 104 HA LEU 14 HA LEU 14 -8.767 -4.501 -1.170 105 HB2 LEU 14 HB2 LEU 14 -10.348 -5.387 -2.929 106 HB3 LEU 14 HB1 LEU 14 -11.665 -4.890 -1.885 107 HG LEU 14 HG LEU 14 -10.718 -2.545 -2.002 108 HD11 LEU 14 HD11 LEU 14 -9.278 -2.055 -3.933 109 HD12 LEU 14 HD12 LEU 14 -9.096 -3.785 -4.215 110 HD13 LEU 14 HD13 LEU 14 -8.476 -3.062 -2.731 111 HD21 LEU 14 HD21 LEU 14 -11.686 -2.108 -4.210 112 HD22 LEU 14 HD22 LEU 14 -12.690 -3.201 -3.255 113 HD23 LEU 14 HD23 LEU 14 -11.675 -3.839 -4.552 114 H GLU 15 HN GLU 15 -11.527 -5.634 0.696 115 HA GLU 15 HA GLU 15 -11.958 -3.041 1.912 116 HB2 GLU 15 HB2 GLU 15 -13.631 -4.283 3.309 117 HB3 GLU 15 HB1 GLU 15 -13.908 -4.386 1.579 118 HG2 GLU 15 HG2 GLU 15 -12.326 -6.538 2.867 119 HG3 GLU 15 HG1 GLU 15 -14.067 -6.499 3.145 120 H GLU 16 HN GLU 16 -9.549 -5.117 2.279 121 HA GLU 16 HA GLU 16 -9.430 -4.944 5.206 122 HB2 GLU 16 HB2 GLU 16 -9.087 -7.172 4.226 123 HB3 GLU 16 HB1 GLU 16 -7.749 -6.551 3.269 124 HG2 GLU 16 HG2 GLU 16 -7.039 -7.817 5.265 125 HG3 GLU 16 HG1 GLU 16 -6.441 -6.158 5.237 126 H ILE 17 HN ILE 17 -7.452 -4.362 2.319 127 HA ILE 17 HA ILE 17 -5.292 -3.144 3.621 128 HB ILE 17 HB ILE 17 -4.883 -2.055 1.331 129 HG12 ILE 17 HG12 ILE 17 -6.208 -3.653 -0.387 130 HG13 ILE 17 HG11 ILE 17 -7.433 -3.507 0.864 131 HG21 ILE 17 HG21 ILE 17 -4.126 -4.199 0.382 132 HG22 ILE 17 HG22 ILE 17 -5.063 -5.052 1.611 133 HG23 ILE 17 HG23 ILE 17 -3.708 -4.027 2.087 134 HD11 ILE 17 HD11 ILE 17 -7.735 -1.853 -0.895 135 HD12 ILE 17 HD12 ILE 17 -6.122 -1.213 -0.573 136 HD13 ILE 17 HD13 ILE 17 -7.382 -1.092 0.655 137 H LYS 18 HN LYS 18 -8.378 -1.825 2.629 138 HA LYS 18 HA LYS 18 -7.455 0.892 3.170 139 HB2 LYS 18 HB2 LYS 18 -9.655 1.606 2.342 140 HB3 LYS 18 HB1 LYS 18 -8.811 0.595 1.179 141 HG2 LYS 18 HG2 LYS 18 -10.212 -1.252 1.623 142 HG3 LYS 18 HG1 LYS 18 -10.885 -0.487 3.064 143 HD2 LYS 18 HD2 LYS 18 -12.478 -0.383 1.236 144 HD3 LYS 18 HD1 LYS 18 -11.914 1.238 1.645 145 HE2 LYS 18 HE2 LYS 18 -10.326 -0.100 -0.421 146 HE3 LYS 18 HE1 LYS 18 -12.004 0.186 -0.877 147 HZ1 LYS 18 HZ1 LYS 18 -10.032 2.215 0.016 148 HZ2 LYS 18 HZ2 LYS 18 -11.673 2.532 -0.222 149 HZ3 LYS 18 HZ3 LYS 18 -10.710 2.060 -1.526 150 H LYS 19 HN LYS 19 -8.135 -1.413 5.153 151 HA LYS 19 HA LYS 19 -9.751 0.286 6.939 152 HB2 LYS 19 HB2 LYS 19 -10.101 -2.489 6.173 153 HB3 LYS 19 HB1 LYS 19 -9.926 -2.326 7.914 154 HG2 LYS 19 HG2 LYS 19 -12.248 -2.237 7.383 155 HG3 LYS 19 HG1 LYS 19 -11.738 -0.622 7.873 156 HD2 LYS 19 HD2 LYS 19 -11.634 0.089 5.566 157 HD3 LYS 19 HD1 LYS 19 -11.986 -1.548 5.014 158 HE2 LYS 19 HE2 LYS 19 -13.991 -0.262 4.865 159 HE3 LYS 19 HE1 LYS 19 -14.170 -1.409 6.191 160 HZ1 LYS 19 HZ1 LYS 19 -14.989 0.740 6.836 161 HZ2 LYS 19 HZ2 LYS 19 -13.521 1.476 6.438 162 HZ3 LYS 19 HZ3 LYS 19 -13.597 0.394 7.729 163 H HIS 20 HN HIS 20 -6.853 -1.405 6.415 164 HA HIS 20 HA HIS 20 -6.122 -1.583 9.210 165 HB2 HIS 20 HB2 HIS 20 -5.296 -2.844 6.821 166 HB3 HIS 20 HB1 HIS 20 -3.899 -1.960 7.427 167 HD1 HIS 20 HD1 HIS 20 -5.993 -4.960 8.066 168 HD2 HIS 20 HD2 HIS 20 -2.992 -2.812 10.001 169 HE1 HIS 20 HE1 HIS 20 -5.131 -6.468 9.884 170 HE2 HIS 20 HE2 HIS 20 -3.202 -5.221 10.915 171 H ASN 21 HN ASN 21 -5.649 0.573 6.514 172 HA ASN 21 HA ASN 21 -3.388 1.937 7.566 173 HB2 ASN 21 HB2 ASN 21 -3.794 3.617 5.859 174 HB3 ASN 21 HB1 ASN 21 -3.972 2.009 5.167 175 HD21 ASN 21 HD21 ASN 21 -5.481 5.017 5.806 176 HD22 ASN 21 HD22 ASN 21 -7.013 4.640 5.099 177 H HIS 22 HN HIS 22 -3.279 3.276 9.188 178 HA HIS 22 HA HIS 22 -5.464 5.097 9.771 179 HB2 HIS 22 HB2 HIS 22 -4.457 3.057 11.761 180 HB3 HIS 22 HB1 HIS 22 -5.328 4.507 12.240 181 HD1 HIS 22 HD1 HIS 22 -7.833 4.691 11.159 182 HD2 HIS 22 HD2 HIS 22 -6.042 0.940 11.171 183 HE1 HIS 22 HE1 HIS 22 -9.696 3.052 10.769 184 HE2 HIS 22 HE2 HIS 22 -8.548 0.820 10.547 185 H SER 23 HN SER 23 -2.681 3.990 11.654 186 HA SER 23 HA SER 23 -1.203 6.411 11.009 187 HB2 SER 23 HB2 SER 23 -0.809 6.579 13.624 188 HB3 SER 23 HB1 SER 23 -2.215 7.334 12.877 189 HG SER 23 HG SER 23 -3.454 6.036 13.957 190 H LYS 24 HN LYS 24 -1.300 3.506 13.045 191 HA LYS 24 HA LYS 24 1.600 3.183 12.700 192 HB2 LYS 24 HB2 LYS 24 1.467 1.640 14.584 193 HB3 LYS 24 HB1 LYS 24 0.745 3.188 15.002 194 HG2 LYS 24 HG2 LYS 24 -1.490 2.172 14.471 195 HG3 LYS 24 HG1 LYS 24 -0.668 0.615 14.347 196 HD2 LYS 24 HD2 LYS 24 0.145 0.899 16.655 197 HD3 LYS 24 HD1 LYS 24 -0.749 2.416 16.763 198 HE2 LYS 24 HE2 LYS 24 -2.830 1.116 16.256 199 HE3 LYS 24 HE1 LYS 24 -1.873 -0.356 16.407 200 HZ1 LYS 24 HZ1 LYS 24 -1.260 0.548 18.692 201 HZ2 LYS 24 HZ2 LYS 24 -2.823 -0.059 18.492 202 HZ3 LYS 24 HZ3 LYS 24 -2.561 1.612 18.498 203 H SER 25 HN SER 25 -0.688 2.414 10.778 204 HA SER 25 HA SER 25 0.463 -0.114 9.986 205 HB2 SER 25 HB2 SER 25 -2.512 0.030 10.552 206 HB3 SER 25 HB1 SER 25 -1.616 -1.368 9.963 207 HG SER 25 HG SER 25 -0.366 -0.772 12.116 208 H THR 26 HN THR 26 0.538 2.390 8.817 209 HA THR 26 HA THR 26 -1.471 2.705 6.806 210 HB THR 26 HB THR 26 1.281 3.937 6.785 211 HG1 THR 26 HG1 THR 26 0.706 4.720 8.678 212 HG21 THR 26 HG21 THR 26 0.136 5.797 5.693 213 HG22 THR 26 HG22 THR 26 -1.404 4.947 5.834 214 HG23 THR 26 HG23 THR 26 -0.129 4.299 4.800 215 H TRP 27 HN TRP 27 -1.672 1.320 5.168 216 HA TRP 27 HA TRP 27 0.748 0.182 3.946 217 HB2 TRP 27 HB2 TRP 27 -2.097 -0.817 4.066 218 HB3 TRP 27 HB1 TRP 27 -0.918 -1.476 2.939 219 HD1 TRP 27 HD1 TRP 27 1.321 -1.037 5.570 220 HE1 TRP 27 HE1 TRP 27 1.443 -3.044 7.174 221 HE3 TRP 27 HE3 TRP 27 -3.064 -3.344 4.309 222 HZ2 TRP 27 HZ2 TRP 27 -0.117 -5.304 7.820 223 HZ3 TRP 27 HZ3 TRP 27 -3.674 -5.427 5.468 224 HH2 TRP 27 HH2 TRP 27 -2.229 -6.385 7.187 225 H LEU 28 HN LEU 28 1.068 0.318 1.761 226 HA LEU 28 HA LEU 28 -0.846 1.969 0.246 227 HB2 LEU 28 HB2 LEU 28 1.735 2.690 0.978 228 HB3 LEU 28 HB1 LEU 28 1.909 2.149 -0.680 229 HG LEU 28 HG LEU 28 -0.235 4.122 0.018 230 HD11 LEU 28 HD11 LEU 28 1.743 5.082 1.006 231 HD12 LEU 28 HD12 LEU 28 1.368 5.935 -0.493 232 HD13 LEU 28 HD13 LEU 28 2.674 4.751 -0.456 233 HD21 LEU 28 HD21 LEU 28 0.179 4.847 -2.295 234 HD22 LEU 28 HD22 LEU 28 -0.257 3.140 -2.203 235 HD23 LEU 28 HD23 LEU 28 1.425 3.608 -2.448 236 H ILE 29 HN ILE 29 -1.183 1.391 -1.905 237 HA ILE 29 HA ILE 29 -0.148 -1.272 -2.602 238 HB ILE 29 HB ILE 29 -2.607 0.157 -3.619 239 HG12 ILE 29 HG12 ILE 29 -2.351 -2.294 -1.869 240 HG13 ILE 29 HG11 ILE 29 -2.768 -0.682 -1.294 241 HG21 ILE 29 HG21 ILE 29 -3.129 -1.838 -4.852 242 HG22 ILE 29 HG22 ILE 29 -1.702 -2.658 -4.210 243 HG23 ILE 29 HG23 ILE 29 -1.513 -1.290 -5.313 244 HD11 ILE 29 HD11 ILE 29 -4.379 -2.168 -3.344 245 HD12 ILE 29 HD12 ILE 29 -4.827 -0.709 -2.460 246 HD13 ILE 29 HD13 ILE 29 -4.689 -2.251 -1.612 247 H LEU 30 HN LEU 30 1.312 -1.404 -4.124 248 HA LEU 30 HA LEU 30 1.326 0.589 -6.289 249 HB2 LEU 30 HB2 LEU 30 3.713 -0.479 -4.775 250 HB3 LEU 30 HB1 LEU 30 3.833 0.395 -6.288 251 HG LEU 30 HG LEU 30 2.587 1.551 -3.800 252 HD11 LEU 30 HD11 LEU 30 4.687 2.812 -3.555 253 HD12 LEU 30 HD12 LEU 30 5.402 1.848 -4.850 254 HD13 LEU 30 HD13 LEU 30 4.913 1.074 -3.341 255 HD21 LEU 30 HD21 LEU 30 3.515 2.789 -6.390 256 HD22 LEU 30 HD22 LEU 30 2.922 3.680 -4.989 257 HD23 LEU 30 HD23 LEU 30 1.846 2.593 -5.861 258 H HIS 31 HN HIS 31 1.025 -0.376 -8.164 259 HA HIS 31 HA HIS 31 0.962 -1.918 -9.822 260 HB2 HIS 31 HB2 HIS 31 3.499 -2.521 -8.446 261 HB3 HIS 31 HB1 HIS 31 2.839 -3.857 -9.384 262 HD1 HIS 31 HD1 HIS 31 2.462 -3.362 -11.981 263 HD2 HIS 31 HD2 HIS 31 4.709 -0.539 -9.922 264 HE1 HIS 31 HE1 HIS 31 3.597 -1.989 -13.747 265 HE2 HIS 31 HE2 HIS 31 4.754 -0.149 -12.487 266 H HIS 32 HN HIS 32 -0.598 -2.163 -7.469 267 HA HIS 32 HA HIS 32 -2.158 -3.508 -6.565 268 HB2 HIS 32 HB2 HIS 32 -1.318 -5.315 -8.824 269 HB3 HIS 32 HB1 HIS 32 -2.619 -5.725 -7.711 270 HD1 HIS 32 HD1 HIS 32 -2.928 -5.167 -10.833 271 HD2 HIS 32 HD2 HIS 32 -3.826 -2.523 -7.751 272 HE1 HIS 32 HE1 HIS 32 -4.614 -3.567 -11.784 273 HE2 HIS 32 HE2 HIS 32 -5.020 -1.883 -9.957 274 H LYS 33 HN LYS 33 0.600 -3.537 -5.617 275 HA LYS 33 HA LYS 33 0.566 -6.138 -4.224 276 HB2 LYS 33 HB2 LYS 33 3.021 -4.431 -4.663 277 HB3 LYS 33 HB1 LYS 33 2.959 -6.078 -4.063 278 HG2 LYS 33 HG2 LYS 33 1.862 -5.628 -6.763 279 HG3 LYS 33 HG1 LYS 33 3.606 -5.446 -6.577 280 HD2 LYS 33 HD2 LYS 33 3.583 -7.706 -5.433 281 HD3 LYS 33 HD1 LYS 33 1.917 -7.869 -5.985 282 HE2 LYS 33 HE2 LYS 33 2.658 -7.605 -8.301 283 HE3 LYS 33 HE1 LYS 33 4.322 -7.431 -7.750 284 HZ1 LYS 33 HZ1 LYS 33 2.923 -9.838 -6.883 285 HZ2 LYS 33 HZ2 LYS 33 4.526 -9.630 -7.387 286 HZ3 LYS 33 HZ3 LYS 33 3.292 -9.734 -8.532 287 H VAL 34 HN VAL 34 1.030 -6.057 -1.959 288 HA VAL 34 HA VAL 34 0.319 -3.483 -0.771 289 HB VAL 34 HB VAL 34 0.614 -6.104 0.694 290 HG11 VAL 34 HG11 VAL 34 -0.826 -5.068 2.343 291 HG12 VAL 34 HG12 VAL 34 -0.992 -3.629 1.334 292 HG13 VAL 34 HG13 VAL 34 0.573 -4.034 2.041 293 HG21 VAL 34 HG21 VAL 34 -0.984 -6.458 -1.088 294 HG22 VAL 34 HG22 VAL 34 -1.836 -4.976 -0.655 295 HG23 VAL 34 HG23 VAL 34 -1.832 -6.345 0.455 296 H TYR 35 HN TYR 35 1.835 -2.173 -0.065 297 HA TYR 35 HA TYR 35 4.355 -3.333 0.935 298 HB2 TYR 35 HB2 TYR 35 3.885 -0.688 -0.461 299 HB3 TYR 35 HB1 TYR 35 5.414 -1.172 0.266 300 HD1 TYR 35 HD2 TYR 35 6.690 -3.065 -0.714 301 HD2 TYR 35 HD1 TYR 35 3.235 -1.479 -2.607 302 HE1 TYR 35 HE2 TYR 35 7.356 -4.151 -2.813 303 HE2 TYR 35 HE1 TYR 35 3.892 -2.560 -4.718 304 HH TYR 35 HH TYR 35 5.669 -3.538 -5.816 305 H ASP 36 HN ASP 36 4.936 -2.851 2.962 306 HA ASP 36 HA ASP 36 3.225 -1.036 4.492 307 HB2 ASP 36 HB2 ASP 36 3.404 -3.041 5.673 308 HB3 ASP 36 HB1 ASP 36 5.093 -3.270 5.233 309 H LEU 37 HN LEU 37 3.857 0.930 4.948 310 HA LEU 37 HA LEU 37 6.685 1.509 5.340 311 HB2 LEU 37 HB2 LEU 37 6.796 3.285 3.793 312 HB3 LEU 37 HB1 LEU 37 6.077 1.946 2.922 313 HG LEU 37 HG LEU 37 4.389 4.111 4.147 314 HD11 LEU 37 HD11 LEU 37 5.582 4.062 1.379 315 HD12 LEU 37 HD12 LEU 37 6.006 5.185 2.670 316 HD13 LEU 37 HD13 LEU 37 4.388 5.216 1.969 317 HD21 LEU 37 HD21 LEU 37 2.734 3.365 2.595 318 HD22 LEU 37 HD22 LEU 37 3.362 1.946 3.434 319 HD23 LEU 37 HD23 LEU 37 3.889 2.304 1.790 320 H THR 38 HN THR 38 4.272 1.291 7.006 321 HA THR 38 HA THR 38 3.291 3.839 7.692 322 HB THR 38 HB THR 38 2.338 1.537 8.320 323 HG1 THR 38 HG1 THR 38 2.435 3.528 10.372 324 HG21 THR 38 HG21 THR 38 4.185 1.933 10.683 325 HG22 THR 38 HG22 THR 38 4.342 0.676 9.457 326 HG23 THR 38 HG23 THR 38 2.940 0.692 10.525 327 H LYS 39 HN LYS 39 6.260 2.267 8.449 328 HA LYS 39 HA LYS 39 6.867 4.319 10.461 329 HB2 LYS 39 HB2 LYS 39 7.995 1.570 9.970 330 HB3 LYS 39 HB1 LYS 39 8.891 2.764 10.899 331 HG2 LYS 39 HG2 LYS 39 6.120 1.793 11.564 332 HG3 LYS 39 HG1 LYS 39 7.608 1.210 12.310 333 HD2 LYS 39 HD2 LYS 39 8.059 3.359 13.254 334 HD3 LYS 39 HD1 LYS 39 6.745 4.100 12.341 335 HE2 LYS 39 HE2 LYS 39 5.162 2.599 13.572 336 HE3 LYS 39 HE1 LYS 39 6.522 2.108 14.581 337 HZ1 LYS 39 HZ1 LYS 39 6.806 4.432 15.229 338 HZ2 LYS 39 HZ2 LYS 39 5.276 3.853 15.645 339 HZ3 LYS 39 HZ3 LYS 39 5.459 4.864 14.300 340 H PHE 40 HN PHE 40 6.933 4.245 7.383 341 HA PHE 40 HA PHE 40 9.650 5.350 7.126 342 HB2 PHE 40 HB2 PHE 40 8.673 3.140 5.790 343 HB3 PHE 40 HB1 PHE 40 8.410 4.441 4.633 344 HD1 PHE 40 HD1 PHE 40 11.039 2.986 6.829 345 HD2 PHE 40 HD2 PHE 40 10.136 5.113 3.254 346 HE1 PHE 40 HE1 PHE 40 13.405 2.857 6.156 347 HE2 PHE 40 HE2 PHE 40 12.498 4.989 2.576 348 HZ PHE 40 HZ PHE 40 14.136 3.861 4.026 349 H LEU 41 HN LEU 41 6.550 6.169 7.388 350 HA LEU 41 HA LEU 41 5.941 7.825 5.225 351 HB2 LEU 41 HB2 LEU 41 5.169 8.222 8.113 352 HB3 LEU 41 HB1 LEU 41 4.376 8.947 6.727 353 HG LEU 41 HG LEU 41 4.488 5.974 7.236 354 HD11 LEU 41 HD11 LEU 41 2.266 7.930 7.799 355 HD12 LEU 41 HD12 LEU 41 3.234 7.079 9.004 356 HD13 LEU 41 HD13 LEU 41 2.160 6.175 7.938 357 HD21 LEU 41 HD21 LEU 41 2.876 7.643 5.315 358 HD22 LEU 41 HD22 LEU 41 2.674 5.913 5.579 359 HD23 LEU 41 HD23 LEU 41 4.179 6.531 4.903 360 H GLU 42 HN GLU 42 7.692 8.519 8.202 361 HA GLU 42 HA GLU 42 8.149 11.276 7.436 362 HB2 GLU 42 HB2 GLU 42 9.471 11.315 9.588 363 HB3 GLU 42 HB1 GLU 42 7.762 10.936 9.755 364 HG2 GLU 42 HG2 GLU 42 8.566 8.469 9.660 365 HG3 GLU 42 HG1 GLU 42 10.136 9.153 10.076 366 H GLU 43 HN GLU 43 9.517 8.365 6.683 367 HA GLU 43 HA GLU 43 12.245 9.417 6.454 368 HB2 GLU 43 HB2 GLU 43 11.101 6.635 6.180 369 HB3 GLU 43 HB1 GLU 43 12.769 7.029 5.794 370 HG2 GLU 43 HG2 GLU 43 11.483 7.419 8.485 371 HG3 GLU 43 HG1 GLU 43 12.498 6.050 8.033 372 H HIS 44 HN HIS 44 9.484 9.367 4.732 373 HA HIS 44 HA HIS 44 10.672 8.799 2.139 374 HB2 HIS 44 HB2 HIS 44 8.445 7.893 2.649 375 HB3 HIS 44 HB1 HIS 44 7.834 9.526 2.897 376 HD1 HIS 44 HD1 HIS 44 6.976 10.730 0.827 377 HD2 HIS 44 HD2 HIS 44 9.205 7.330 -0.050 378 HE1 HIS 44 HE1 HIS 44 6.769 10.367 -1.666 379 HA PRO 45 HA PRO 45 11.384 13.195 1.662 380 HB2 PRO 45 HB2 PRO 45 12.651 13.080 -0.706 381 HB3 PRO 45 HB1 PRO 45 13.433 12.555 0.793 382 HG2 PRO 45 HG2 PRO 45 12.157 10.900 -1.337 383 HG3 PRO 45 HG1 PRO 45 13.666 10.614 -0.448 384 HD2 PRO 45 HD2 PRO 45 11.299 9.391 0.159 385 HD3 PRO 45 HD1 PRO 45 12.587 9.690 1.342 386 H GLY 46 HN GLY 46 10.124 14.753 0.786 387 HA2 GLY 46 HA2 GLY 46 9.077 15.658 -1.248 388 HA3 GLY 46 HA1 GLY 46 8.475 14.035 -1.562 389 H GLY 47 HN GLY 47 7.941 13.772 1.410 390 HA2 GLY 47 HA2 GLY 47 6.377 15.297 2.765 391 HA3 GLY 47 HA1 GLY 47 5.369 15.188 1.332 392 H GLU 48 HN GLU 48 4.393 14.460 3.756 393 HA GLU 48 HA GLU 48 4.316 11.518 3.631 394 HB2 GLU 48 HB2 GLU 48 3.435 11.722 6.011 395 HB3 GLU 48 HB1 GLU 48 5.131 12.122 5.767 396 HG2 GLU 48 HG2 GLU 48 4.706 14.445 5.939 397 HG3 GLU 48 HG1 GLU 48 2.965 14.206 5.830 398 H GLU 49 HN GLU 49 2.528 14.434 3.359 399 HA GLU 49 HA GLU 49 -0.076 13.563 3.920 400 HB2 GLU 49 HB2 GLU 49 0.772 15.945 3.499 401 HB3 GLU 49 HB1 GLU 49 0.630 15.577 1.786 402 HG2 GLU 49 HG2 GLU 49 -1.364 16.632 2.236 403 HG3 GLU 49 HG1 GLU 49 -1.807 14.931 2.378 404 H VAL 50 HN VAL 50 1.827 13.515 0.959 405 HA VAL 50 HA VAL 50 -0.188 12.544 -0.749 406 HB VAL 50 HB VAL 50 1.708 11.861 -2.248 407 HG11 VAL 50 HG11 VAL 50 2.481 14.183 -2.639 408 HG12 VAL 50 HG12 VAL 50 1.738 14.656 -1.112 409 HG13 VAL 50 HG13 VAL 50 0.734 14.064 -2.434 410 HG21 VAL 50 HG21 VAL 50 3.387 11.285 -0.622 411 HG22 VAL 50 HG22 VAL 50 3.356 12.915 0.052 412 HG23 VAL 50 HG23 VAL 50 3.981 12.646 -1.576 413 H LEU 51 HN LEU 51 1.583 10.967 1.701 414 HA LEU 51 HA LEU 51 1.332 8.341 0.478 415 HB2 LEU 51 HB2 LEU 51 2.365 9.122 3.206 416 HB3 LEU 51 HB1 LEU 51 2.445 7.518 2.501 417 HG LEU 51 HG LEU 51 3.875 9.970 1.469 418 HD11 LEU 51 HD11 LEU 51 4.946 7.499 2.810 419 HD12 LEU 51 HD12 LEU 51 4.763 9.073 3.583 420 HD13 LEU 51 HD13 LEU 51 5.884 8.873 2.236 421 HD21 LEU 51 HD21 LEU 51 3.779 7.128 0.485 422 HD22 LEU 51 HD22 LEU 51 5.055 8.263 0.039 423 HD23 LEU 51 HD23 LEU 51 3.378 8.599 -0.404 424 H ARG 52 HN ARG 52 0.054 10.089 3.310 425 HA ARG 52 HA ARG 52 -1.549 7.916 4.177 426 HB2 ARG 52 HB2 ARG 52 -2.762 9.701 5.534 427 HB3 ARG 52 HB1 ARG 52 -1.055 9.459 5.858 428 HG2 ARG 52 HG2 ARG 52 -1.254 11.748 5.867 429 HG3 ARG 52 HG1 ARG 52 -0.706 11.431 4.224 430 HD2 ARG 52 HD2 ARG 52 -2.561 13.091 4.412 431 HD3 ARG 52 HD1 ARG 52 -2.899 11.726 3.354 432 HE ARG 52 HE ARG 52 -4.122 10.802 5.394 433 HH11 ARG 52 HH11 ARG 52 -3.751 14.261 4.808 434 HH12 ARG 52 HH12 ARG 52 -5.383 14.647 5.493 435 HH21 ARG 52 HH21 ARG 52 -6.161 11.268 6.285 436 HH22 ARG 52 HH22 ARG 52 -6.715 12.984 6.323 437 H GLU 53 HN GLU 53 -2.062 10.323 1.736 438 HA GLU 53 HA GLU 53 -4.931 9.888 1.718 439 HB2 GLU 53 HB2 GLU 53 -4.997 11.442 -0.144 440 HB3 GLU 53 HB1 GLU 53 -4.033 12.107 1.165 441 HG2 GLU 53 HG2 GLU 53 -2.037 11.796 0.017 442 HG3 GLU 53 HG1 GLU 53 -2.760 10.654 -1.116 443 H GLN 54 HN GLN 54 -2.221 8.352 0.467 444 HA GLN 54 HA GLN 54 -3.788 7.066 -1.661 445 HB2 GLN 54 HB2 GLN 54 -0.802 7.181 -1.186 446 HB3 GLN 54 HB1 GLN 54 -1.558 6.189 -2.425 447 HG2 GLN 54 HG2 GLN 54 -1.798 9.184 -2.253 448 HG3 GLN 54 HG1 GLN 54 -0.640 8.324 -3.266 449 HE21 GLN 54 HE21 GLN 54 -3.992 9.101 -2.771 450 HE22 GLN 54 HE22 GLN 54 -4.539 8.636 -4.343 451 H ALA 55 HN ALA 55 -3.110 6.725 1.472 452 HA ALA 55 HA ALA 55 -2.314 4.018 1.715 453 HB1 ALA 55 HB1 ALA 55 -3.826 5.731 3.689 454 HB2 ALA 55 HB2 ALA 55 -2.071 5.667 3.523 455 HB3 ALA 55 HB3 ALA 55 -2.960 4.236 4.045 456 H GLY 56 HN GLY 56 -3.451 2.213 1.503 457 HA2 GLY 56 HA2 GLY 56 -5.308 0.804 1.513 458 HA3 GLY 56 HA1 GLY 56 -6.321 2.191 1.897 459 H GLY 57 HN GLY 57 -4.202 2.711 -0.684 460 HA2 GLY 57 HA2 GLY 57 -6.122 1.822 -2.699 461 HA3 GLY 57 HA1 GLY 57 -5.751 3.539 -2.620 462 H ASP 58 HN ASP 58 -5.251 2.382 -4.939 463 HA ASP 58 HA ASP 58 -2.471 1.509 -5.011 464 HB2 ASP 58 HB2 ASP 58 -4.164 0.318 -6.392 465 HB3 ASP 58 HB1 ASP 58 -4.437 1.804 -7.295 466 H ALA 59 HN ALA 59 -0.817 2.756 -5.604 467 HA ALA 59 HA ALA 59 -1.461 5.434 -6.663 468 HB1 ALA 59 HB1 ALA 59 0.520 6.270 -5.471 469 HB2 ALA 59 HB2 ALA 59 0.765 4.668 -4.779 470 HB3 ALA 59 HB3 ALA 59 -0.682 5.589 -4.376 471 H THR 60 HN THR 60 -0.693 2.837 -8.035 472 HA THR 60 HA THR 60 1.946 2.988 -8.994 473 HB THR 60 HB THR 60 -0.366 1.961 -10.625 474 HG1 THR 60 HG1 THR 60 -0.714 0.943 -8.740 475 HG21 THR 60 HG21 THR 60 1.950 2.033 -11.592 476 HG22 THR 60 HG22 THR 60 1.227 0.425 -11.516 477 HG23 THR 60 HG23 THR 60 2.441 0.904 -10.328 478 H GLU 61 HN GLU 61 -1.050 4.394 -10.170 479 HA GLU 61 HA GLU 61 -0.086 5.432 -12.592 480 HB2 GLU 61 HB2 GLU 61 -2.081 7.003 -12.351 481 HB3 GLU 61 HB1 GLU 61 -2.423 5.279 -12.340 482 HG2 GLU 61 HG2 GLU 61 -2.361 5.458 -9.796 483 HG3 GLU 61 HG1 GLU 61 -2.437 7.201 -10.042 484 H ASN 62 HN ASN 62 0.453 6.454 -9.369 485 HA ASN 62 HA ASN 62 1.304 9.123 -10.250 486 HB2 ASN 62 HB2 ASN 62 -0.243 8.854 -8.257 487 HB3 ASN 62 HB1 ASN 62 1.110 8.116 -7.409 488 HD21 ASN 62 HD21 ASN 62 1.087 9.762 -5.874 489 HD22 ASN 62 HD22 ASN 62 1.684 11.347 -6.218 490 H PHE 63 HN PHE 63 2.403 6.170 -8.735 491 HA PHE 63 HA PHE 63 4.989 6.877 -7.976 492 HB2 PHE 63 HB2 PHE 63 3.776 4.752 -7.414 493 HB3 PHE 63 HB1 PHE 63 4.067 4.202 -9.058 494 HD1 PHE 63 HD2 PHE 63 5.631 4.976 -5.823 495 HD2 PHE 63 HD1 PHE 63 6.191 3.362 -9.722 496 HE1 PHE 63 HE2 PHE 63 7.786 4.017 -5.115 497 HE2 PHE 63 HE1 PHE 63 8.338 2.397 -9.022 498 HZ PHE 63 HZ PHE 63 9.143 2.725 -6.718 499 H GLU 64 HN GLU 64 3.797 5.580 -11.056 500 HA GLU 64 HA GLU 64 6.430 5.787 -12.256 501 HB2 GLU 64 HB2 GLU 64 3.848 5.062 -13.628 502 HB3 GLU 64 HB1 GLU 64 5.486 4.690 -14.149 503 HG2 GLU 64 HG2 GLU 64 5.758 3.226 -12.193 504 HG3 GLU 64 HG1 GLU 64 4.094 3.567 -11.725 505 H ASP 65 HN ASP 65 4.024 7.942 -11.657 506 HA ASP 65 HA ASP 65 4.189 9.383 -14.173 507 HB2 ASP 65 HB2 ASP 65 2.068 9.188 -12.755 508 HB3 ASP 65 HB1 ASP 65 2.827 10.336 -11.656 509 H VAL 66 HN VAL 66 5.088 9.855 -10.780 510 HA VAL 66 HA VAL 66 6.433 12.335 -11.314 511 HB VAL 66 HB VAL 66 6.599 10.554 -8.872 512 HG11 VAL 66 HG11 VAL 66 8.481 12.100 -9.025 513 HG12 VAL 66 HG12 VAL 66 7.393 12.563 -7.719 514 HG13 VAL 66 HG13 VAL 66 7.368 13.449 -9.242 515 HG21 VAL 66 HG21 VAL 66 4.321 11.262 -9.258 516 HG22 VAL 66 HG22 VAL 66 4.844 12.934 -9.461 517 HG23 VAL 66 HG23 VAL 66 4.991 12.149 -7.889 518 H GLY 67 HN GLY 67 7.362 8.954 -11.047 519 HA2 GLY 67 HA2 GLY 67 9.267 8.041 -12.120 520 HA3 GLY 67 HA1 GLY 67 9.987 9.645 -12.148 521 H HIS 68 HN HIS 68 10.767 6.868 -11.073 522 HA HIS 68 HA HIS 68 11.761 7.862 -8.498 523 HB2 HIS 68 HB2 HIS 68 10.248 5.349 -9.041 524 HB3 HIS 68 HB1 HIS 68 11.537 5.300 -7.845 525 HD1 HIS 68 HD1 HIS 68 8.236 7.101 -8.492 526 HD2 HIS 68 HD2 HIS 68 10.915 6.291 -5.412 527 HE1 HIS 68 HE1 HIS 68 7.124 7.875 -6.357 528 H SER 69 HN SER 69 13.720 6.837 -7.773 529 HA SER 69 HA SER 69 15.524 6.341 -9.932 530 HB2 SER 69 HB2 SER 69 16.957 5.769 -7.693 531 HB3 SER 69 HB1 SER 69 16.719 7.399 -8.320 532 HG SER 69 HG SER 69 15.533 7.856 -6.647 533 H THR 70 HN THR 70 16.931 4.463 -10.072 534 HA THR 70 HA THR 70 15.513 2.045 -10.154 535 HB THR 70 HB THR 70 18.491 2.017 -10.071 536 HG1 THR 70 HG1 THR 70 18.456 2.898 -12.247 537 HG21 THR 70 HG21 THR 70 16.528 0.877 -12.063 538 HG22 THR 70 HG22 THR 70 17.096 0.015 -10.635 539 HG23 THR 70 HG23 THR 70 18.237 0.474 -11.897 540 H ASP 71 HN ASP 71 17.575 3.454 -7.701 541 HA ASP 71 HA ASP 71 17.814 1.004 -6.200 542 HB2 ASP 71 HB2 ASP 71 19.518 2.884 -6.202 543 HB3 ASP 71 HB1 ASP 71 18.387 3.802 -5.215 544 H ALA 72 HN ALA 72 15.664 3.720 -6.333 545 HA ALA 72 HA ALA 72 14.475 3.442 -3.779 546 HB1 ALA 72 HB1 ALA 72 13.272 4.621 -6.283 547 HB2 ALA 72 HB2 ALA 72 14.276 5.491 -5.125 548 HB3 ALA 72 HB3 ALA 72 12.702 4.866 -4.633 549 H ARG 73 HN ARG 73 13.565 2.222 -6.992 550 HA ARG 73 HA ARG 73 11.202 0.931 -6.132 551 HB2 ARG 73 HB2 ARG 73 11.414 -0.364 -8.290 552 HB3 ARG 73 HB1 ARG 73 11.400 1.384 -8.454 553 HG2 ARG 73 HG2 ARG 73 13.202 1.139 -9.731 554 HG3 ARG 73 HG1 ARG 73 14.083 0.794 -8.242 555 HD2 ARG 73 HD2 ARG 73 14.618 -1.006 -9.616 556 HD3 ARG 73 HD1 ARG 73 13.319 -1.636 -8.603 557 HE ARG 73 HE ARG 73 12.509 -0.514 -11.158 558 HH11 ARG 73 HH11 ARG 73 13.340 -3.389 -9.294 559 HH12 ARG 73 HH12 ARG 73 12.540 -4.507 -10.475 560 HH21 ARG 73 HH21 ARG 73 11.500 -1.899 -12.669 561 HH22 ARG 73 HH22 ARG 73 11.511 -3.677 -12.350 562 H GLU 74 HN GLU 74 14.533 0.029 -5.941 563 HA GLU 74 HA GLU 74 13.924 -2.764 -5.432 564 HB2 GLU 74 HB2 GLU 74 16.503 -1.204 -5.490 565 HB3 GLU 74 HB1 GLU 74 16.424 -2.891 -5.000 566 HG2 GLU 74 HG2 GLU 74 15.778 -1.724 -7.692 567 HG3 GLU 74 HG1 GLU 74 17.069 -2.850 -7.276 568 H LEU 75 HN LEU 75 14.059 0.117 -3.706 569 HA LEU 75 HA LEU 75 14.895 -0.980 -1.179 570 HB2 LEU 75 HB2 LEU 75 15.221 1.409 -1.817 571 HB3 LEU 75 HB1 LEU 75 13.479 1.622 -1.780 572 HG LEU 75 HG LEU 75 13.579 0.924 0.663 573 HD11 LEU 75 HD11 LEU 75 15.756 1.267 1.767 574 HD12 LEU 75 HD12 LEU 75 16.516 1.372 0.177 575 HD13 LEU 75 HD13 LEU 75 15.742 -0.128 0.690 576 HD21 LEU 75 HD21 LEU 75 14.331 3.152 1.394 577 HD22 LEU 75 HD22 LEU 75 13.237 3.223 0.013 578 HD23 LEU 75 HD23 LEU 75 14.970 3.443 -0.223 579 H SER 76 HN SER 76 11.895 -0.171 -2.813 580 HA SER 76 HA SER 76 10.179 -0.740 -0.619 581 HB2 SER 76 HB2 SER 76 8.595 -1.017 -2.824 582 HB3 SER 76 HB1 SER 76 8.999 0.532 -2.081 583 HG SER 76 HG SER 76 9.844 -0.555 -4.473 584 H LYS 77 HN LYS 77 11.987 -2.721 -2.626 585 HA LYS 77 HA LYS 77 10.288 -4.910 -3.065 586 HB2 LYS 77 HB2 LYS 77 12.573 -4.414 -4.086 587 HB3 LYS 77 HB1 LYS 77 13.256 -5.104 -2.622 588 HG2 LYS 77 HG2 LYS 77 12.187 -7.225 -3.081 589 HG3 LYS 77 HG1 LYS 77 11.394 -6.540 -4.502 590 HD2 LYS 77 HD2 LYS 77 13.624 -6.089 -5.473 591 HD3 LYS 77 HD1 LYS 77 14.360 -6.888 -4.085 592 HE2 LYS 77 HE2 LYS 77 13.431 -8.981 -4.682 593 HE3 LYS 77 HE1 LYS 77 12.345 -8.244 -5.859 594 HZ1 LYS 77 HZ1 LYS 77 14.245 -9.340 -6.904 595 HZ2 LYS 77 HZ2 LYS 77 15.307 -8.313 -6.077 596 HZ3 LYS 77 HZ3 LYS 77 14.237 -7.676 -7.222 597 H THR 78 HN THR 78 12.005 -3.873 -0.226 598 HA THR 78 HA THR 78 11.532 -6.444 1.084 599 HB THR 78 HB THR 78 13.746 -5.223 1.301 600 HG1 THR 78 HG1 THR 78 13.556 -5.462 3.804 601 HG21 THR 78 HG21 THR 78 12.872 -2.958 1.577 602 HG22 THR 78 HG22 THR 78 13.885 -3.415 2.942 603 HG23 THR 78 HG23 THR 78 12.131 -3.423 3.110 604 H PHE 79 HN PHE 79 9.805 -3.719 0.507 605 HA PHE 79 HA PHE 79 8.607 -3.521 3.161 606 HB2 PHE 79 HB2 PHE 79 8.182 -1.914 0.641 607 HB3 PHE 79 HB1 PHE 79 7.263 -1.665 2.119 608 HD1 PHE 79 HD1 PHE 79 9.774 -2.218 3.933 609 HD2 PHE 79 HD2 PHE 79 9.012 0.327 0.610 610 HE1 PHE 79 HE1 PHE 79 11.508 -0.672 4.728 611 HE2 PHE 79 HE2 PHE 79 10.750 1.878 1.396 612 HZ PHE 79 HZ PHE 79 12.002 1.380 3.459 613 H ILE 80 HN ILE 80 8.131 -5.300 0.350 614 HA ILE 80 HA ILE 80 5.264 -5.334 0.394 615 HB ILE 80 HB ILE 80 6.345 -5.806 -1.704 616 HG12 ILE 80 HG12 ILE 80 5.176 -8.422 -0.750 617 HG13 ILE 80 HG11 ILE 80 4.191 -7.000 -1.075 618 HG21 ILE 80 HG21 ILE 80 8.439 -6.704 -1.076 619 HG22 ILE 80 HG22 ILE 80 7.620 -7.962 -2.002 620 HG23 ILE 80 HG23 ILE 80 7.687 -8.064 -0.243 621 HD11 ILE 80 HD11 ILE 80 4.164 -8.526 -2.957 622 HD12 ILE 80 HD12 ILE 80 5.923 -8.450 -3.065 623 HD13 ILE 80 HD13 ILE 80 4.957 -7.013 -3.398 624 H ILE 81 HN ILE 81 4.007 -6.421 1.720 625 HA ILE 81 HA ILE 81 5.144 -8.729 3.158 626 HB ILE 81 HB ILE 81 3.769 -8.263 5.057 627 HG12 ILE 81 HG12 ILE 81 1.871 -7.291 3.586 628 HG13 ILE 81 HG11 ILE 81 2.083 -6.658 5.210 629 HG21 ILE 81 HG21 ILE 81 5.143 -5.753 4.117 630 HG22 ILE 81 HG22 ILE 81 5.868 -7.089 5.015 631 HG23 ILE 81 HG23 ILE 81 4.639 -6.077 5.778 632 HD11 ILE 81 HD11 ILE 81 3.335 -4.745 4.232 633 HD12 ILE 81 HD12 ILE 81 1.649 -4.845 3.725 634 HD13 ILE 81 HD13 ILE 81 2.930 -5.364 2.631 635 H GLY 82 HN GLY 82 2.944 -7.800 0.847 636 HA2 GLY 82 HA2 GLY 82 1.820 -10.365 0.626 637 HA3 GLY 82 HA1 GLY 82 0.673 -9.318 1.447 638 H GLU 83 HN GLU 83 -0.514 -10.043 -0.539 639 HA GLU 83 HA GLU 83 -0.187 -8.005 -2.624 640 HB2 GLU 83 HB2 GLU 83 -0.359 -10.971 -2.969 641 HB3 GLU 83 HB1 GLU 83 -1.073 -9.925 -4.187 642 HG2 GLU 83 HG2 GLU 83 1.173 -8.786 -4.326 643 HG3 GLU 83 HG1 GLU 83 1.800 -10.117 -3.356 644 H LEU 84 HN LEU 84 -2.199 -8.048 -4.082 645 HA LEU 84 HA LEU 84 -4.526 -7.863 -2.355 646 HB2 LEU 84 HB2 LEU 84 -3.788 -6.881 -5.065 647 HB3 LEU 84 HB1 LEU 84 -5.489 -7.143 -4.744 648 HG LEU 84 HG LEU 84 -4.982 -4.832 -4.354 649 HD11 LEU 84 HD11 LEU 84 -5.848 -4.548 -2.185 650 HD12 LEU 84 HD12 LEU 84 -5.173 -6.076 -1.628 651 HD13 LEU 84 HD13 LEU 84 -6.514 -6.071 -2.771 652 HD21 LEU 84 HD21 LEU 84 -2.597 -4.982 -4.000 653 HD22 LEU 84 HD22 LEU 84 -2.848 -5.820 -2.471 654 HD23 LEU 84 HD23 LEU 84 -3.346 -4.138 -2.647 655 H HIS 85 HN HIS 85 -6.418 -9.009 -2.653 656 HA HIS 85 HA HIS 85 -6.243 -11.672 -3.460 657 HB2 HIS 85 HB2 HIS 85 -8.261 -9.931 -2.393 658 HB3 HIS 85 HB1 HIS 85 -8.953 -10.869 -3.710 659 HD1 HIS 85 HD1 HIS 85 -9.687 -13.188 -3.172 660 HD2 HIS 85 HD2 HIS 85 -7.048 -11.650 -0.330 661 HE1 HIS 85 HE1 HIS 85 -9.626 -14.872 -1.299 662 HE2 HIS 85 HE2 HIS 85 -8.075 -13.899 0.431 663 HA PRO 86 HA PRO 86 -6.396 -11.449 -7.890 664 HB2 PRO 86 HB2 PRO 86 -7.678 -13.885 -8.309 665 HB3 PRO 86 HB1 PRO 86 -5.933 -13.672 -8.122 666 HG2 PRO 86 HG2 PRO 86 -7.944 -14.543 -6.119 667 HG3 PRO 86 HG1 PRO 86 -6.263 -15.069 -6.334 668 HD2 PRO 86 HD2 PRO 86 -6.974 -13.387 -4.368 669 HD3 PRO 86 HD1 PRO 86 -5.406 -13.253 -5.193 670 H ASP 87 HN ASP 87 -9.236 -12.395 -6.043 671 HA ASP 87 HA ASP 87 -11.178 -11.933 -8.031 672 HB2 ASP 87 HB2 ASP 87 -11.778 -11.464 -5.129 673 HB3 ASP 87 HB1 ASP 87 -12.758 -12.260 -6.357 674 H ASP 88 HN ASP 88 -9.539 -9.875 -5.760 675 HA ASP 88 HA ASP 88 -11.167 -7.558 -6.491 676 HB2 ASP 88 HB2 ASP 88 -8.996 -7.965 -4.422 677 HB3 ASP 88 HB1 ASP 88 -9.714 -6.396 -4.769 678 H ARG 89 HN ARG 89 -8.943 -9.116 -8.034 679 HA ARG 89 HA ARG 89 -7.276 -6.786 -8.702 680 HB2 ARG 89 HB2 ARG 89 -6.176 -8.904 -7.822 681 HB3 ARG 89 HB1 ARG 89 -6.653 -9.667 -9.332 682 HG2 ARG 89 HG2 ARG 89 -5.353 -7.961 -10.559 683 HG3 ARG 89 HG1 ARG 89 -4.812 -7.306 -9.011 684 HD2 ARG 89 HD2 ARG 89 -4.327 -10.098 -10.037 685 HD3 ARG 89 HD1 ARG 89 -3.137 -8.806 -9.939 686 HE ARG 89 HE ARG 89 -4.413 -9.587 -7.448 687 HH11 ARG 89 HH11 ARG 89 -1.634 -9.817 -9.587 688 HH12 ARG 89 HH12 ARG 89 -0.547 -10.448 -8.292 689 HH21 ARG 89 HH21 ARG 89 -3.067 -10.375 -5.773 690 HH22 ARG 89 HH22 ARG 89 -1.335 -10.763 -6.166 691 H SER 90 HN SER 90 -8.686 -9.689 -10.292 692 HA SER 90 HA SER 90 -9.005 -8.007 -12.697 693 HB2 SER 90 HB2 SER 90 -8.494 -10.989 -12.594 694 HB3 SER 90 HB1 SER 90 -8.673 -10.017 -14.056 695 HG SER 90 HG SER 90 -6.832 -8.756 -13.123 696 H LYS 91 HN LYS 91 -10.898 -8.889 -10.360 697 HA LYS 91 HA LYS 91 -13.065 -9.703 -12.184 698 HB2 LYS 91 HB2 LYS 91 -12.874 -10.466 -9.268 699 HB3 LYS 91 HB1 LYS 91 -14.107 -10.976 -10.413 700 HG2 LYS 91 HG2 LYS 91 -12.311 -12.111 -11.723 701 HG3 LYS 91 HG1 LYS 91 -11.194 -11.732 -10.413 702 HD2 LYS 91 HD2 LYS 91 -12.947 -12.904 -8.905 703 HD3 LYS 91 HD1 LYS 91 -13.550 -13.584 -10.416 704 HE2 LYS 91 HE2 LYS 91 -10.737 -13.835 -9.351 705 HE3 LYS 91 HE1 LYS 91 -11.967 -15.097 -9.338 706 HZ1 LYS 91 HZ1 LYS 91 -12.001 -14.944 -11.794 707 HZ2 LYS 91 HZ2 LYS 91 -10.519 -15.464 -11.170 708 HZ3 LYS 91 HZ3 LYS 91 -10.690 -13.874 -11.721 709 H LEU 92 HN LEU 92 -12.615 -8.349 -8.920 710 HA LEU 92 HA LEU 92 -13.536 -6.580 -7.846 711 HB2 LEU 92 HB2 LEU 92 -13.906 -5.657 -10.683 712 HB3 LEU 92 HB1 LEU 92 -14.471 -4.703 -9.327 713 HG LEU 92 HG LEU 92 -12.408 -3.760 -9.850 714 HD11 LEU 92 HD11 LEU 92 -10.984 -4.169 -7.985 715 HD12 LEU 92 HD12 LEU 92 -11.674 -5.772 -7.738 716 HD13 LEU 92 HD13 LEU 92 -12.654 -4.336 -7.443 717 HD21 LEU 92 HD21 LEU 92 -11.341 -6.556 -10.167 718 HD22 LEU 92 HD22 LEU 92 -10.349 -5.102 -10.209 719 HD23 LEU 92 HD23 LEU 92 -11.590 -5.355 -11.431 720 H SER 93 HN SER 93 -15.163 -8.932 -8.704 721 HA SER 93 HA SER 93 -17.834 -7.863 -9.005 722 HB2 SER 93 HB2 SER 93 -17.132 -10.753 -8.524 723 HB3 SER 93 HB1 SER 93 -18.508 -10.088 -9.400 724 HG SER 93 HG SER 93 -16.704 -9.172 -10.811 725 H LYS 94 HN LYS 94 -17.314 -6.714 -6.824 726 HA LYS 94 HA LYS 94 -18.678 -8.243 -4.753 727 HB2 LYS 94 HB2 LYS 94 -15.898 -7.160 -4.546 728 HB3 LYS 94 HB1 LYS 94 -16.923 -7.146 -3.119 729 HG2 LYS 94 HG2 LYS 94 -17.032 -9.465 -3.012 730 HG3 LYS 94 HG1 LYS 94 -16.566 -9.660 -4.702 731 HD2 LYS 94 HD2 LYS 94 -14.695 -10.310 -3.391 732 HD3 LYS 94 HD1 LYS 94 -14.311 -8.732 -4.076 733 HE2 LYS 94 HE2 LYS 94 -15.606 -8.300 -1.598 734 HE3 LYS 94 HE1 LYS 94 -14.372 -9.530 -1.343 735 HZ1 LYS 94 HZ1 LYS 94 -13.259 -7.531 -1.011 736 HZ2 LYS 94 HZ2 LYS 94 -14.039 -6.763 -2.302 737 HZ3 LYS 94 HZ3 LYS 94 -12.853 -7.926 -2.616 738 HA PRO 95 HA PRO 95 -20.710 -4.304 -4.458 739 HB2 PRO 95 HB2 PRO 95 -22.211 -4.815 -2.264 740 HB3 PRO 95 HB1 PRO 95 -22.569 -5.523 -3.845 741 HG2 PRO 95 HG2 PRO 95 -21.178 -6.751 -1.507 742 HG3 PRO 95 HG1 PRO 95 -22.388 -7.457 -2.600 743 HD2 PRO 95 HD2 PRO 95 -19.724 -7.939 -2.833 744 HD3 PRO 95 HD1 PRO 95 -20.839 -7.942 -4.215 745 H MET 96 HN MET 96 -20.975 -2.508 -2.912 746 HA MET 96 HA MET 96 -18.989 -2.556 -0.742 747 HB2 MET 96 HB2 MET 96 -18.061 -1.364 -2.686 748 HB3 MET 96 HB1 MET 96 -19.436 -0.270 -2.663 749 HG2 MET 96 HG2 MET 96 -18.771 0.488 -0.423 750 HG3 MET 96 HG1 MET 96 -17.365 -0.570 -0.502 751 HE1 MET 96 HE1 MET 96 -19.204 2.472 -2.032 752 HE2 MET 96 HE2 MET 96 -18.856 1.592 -3.520 753 HE3 MET 96 HE3 MET 96 -18.037 3.117 -3.188 754 H GLU 97 HN GLU 97 -21.467 -0.349 -2.065 755 HA GLU 97 HA GLU 97 -23.195 0.774 -1.132 756 HB2 GLU 97 HB2 GLU 97 -23.024 -1.534 0.788 757 HB3 GLU 97 HB1 GLU 97 -24.215 -0.258 0.984 758 HG2 GLU 97 HG2 GLU 97 -25.028 -0.754 -1.318 759 HG3 GLU 97 HG1 GLU 97 -23.928 -2.132 -1.348 760 H THR 98 HN THR 98 -22.545 2.734 -0.530 761 HA THR 98 HA THR 98 -21.696 3.064 2.246 762 HB THR 98 HB THR 98 -19.691 3.064 0.621 763 HG1 THR 98 HG1 THR 98 -19.563 3.826 2.759 764 HG21 THR 98 HG21 THR 98 -20.725 5.854 0.076 765 HG22 THR 98 HG22 THR 98 -20.733 4.528 -1.087 766 HG23 THR 98 HG23 THR 98 -19.200 5.166 -0.490 767 H LEU 99 HN LEU 99 -21.577 5.600 2.671 768 HA LEU 99 HA LEU 99 -22.820 7.456 3.054 769 HB2 LEU 99 HB2 LEU 99 -22.638 7.149 0.176 770 HB3 LEU 99 HB1 LEU 99 -24.098 8.001 0.637 771 HG LEU 99 HG LEU 99 -21.308 8.807 1.470 772 HD11 LEU 99 HD11 LEU 99 -21.599 9.081 -0.923 773 HD12 LEU 99 HD12 LEU 99 -21.597 10.653 -0.121 774 HD13 LEU 99 HD13 LEU 99 -23.118 9.938 -0.658 775 HD21 LEU 99 HD21 LEU 99 -22.914 9.542 3.089 776 HD22 LEU 99 HD22 LEU 99 -24.001 10.114 1.826 777 HD23 LEU 99 HD23 LEU 99 -22.462 10.928 2.099 778 H ILE 100 HN ILE 100 -24.111 5.585 4.178 779 HA ILE 100 HA ILE 100 -26.799 5.340 3.064 780 HB ILE 100 HB ILE 100 -27.203 3.739 4.917 781 HG12 ILE 100 HG12 ILE 100 -24.237 3.864 5.465 782 HG13 ILE 100 HG11 ILE 100 -25.393 4.810 6.398 783 HG21 ILE 100 HG21 ILE 100 -24.853 3.234 3.106 784 HG22 ILE 100 HG22 ILE 100 -26.551 2.859 2.805 785 HG23 ILE 100 HG23 ILE 100 -25.660 1.977 4.046 786 HD11 ILE 100 HD11 ILE 100 -24.785 2.727 7.523 787 HD12 ILE 100 HD12 ILE 100 -25.399 1.807 6.148 788 HD13 ILE 100 HD13 ILE 100 -26.502 2.776 7.125 789 H THR 101 HN THR 101 -25.086 6.725 5.789 790 HA THR 101 HA THR 101 -27.583 8.057 6.606 791 HB THR 101 HB THR 101 -25.899 8.216 8.799 792 HG1 THR 101 HG1 THR 101 -24.950 6.263 9.057 793 HG21 THR 101 HG21 THR 101 -27.455 6.632 9.839 794 HG22 THR 101 HG22 THR 101 -28.054 6.172 8.243 795 HG23 THR 101 HG23 THR 101 -28.314 7.810 8.843 796 H THR 102 HN THR 102 -27.379 10.220 7.381 797 HA THR 102 HA THR 102 -25.669 11.852 5.875 798 HB THR 102 HB THR 102 -26.578 13.311 8.117 799 HG1 THR 102 HG1 THR 102 -28.506 12.494 8.578 800 HG21 THR 102 HG21 THR 102 -26.483 14.109 5.803 801 HG22 THR 102 HG22 THR 102 -28.100 14.320 6.478 802 HG23 THR 102 HG23 THR 102 -27.774 12.993 5.360 803 H VAL 103 HN VAL 103 -23.600 12.318 6.194 804 HA VAL 103 HA VAL 103 -22.481 12.024 8.900 805 HB VAL 103 HB VAL 103 -20.254 11.863 7.698 806 HG11 VAL 103 HG11 VAL 103 -22.296 9.707 7.172 807 HG12 VAL 103 HG12 VAL 103 -21.361 9.920 8.653 808 HG13 VAL 103 HG13 VAL 103 -20.544 9.498 7.148 809 HG21 VAL 103 HG21 VAL 103 -20.287 11.187 5.350 810 HG22 VAL 103 HG22 VAL 103 -20.953 12.806 5.554 811 HG23 VAL 103 HG23 VAL 103 -22.030 11.436 5.294 812 H ASP 104 HN ASP 104 -23.822 14.342 7.459 813 HA ASP 104 HA ASP 104 -21.804 16.337 8.160 814 HB2 ASP 104 HB2 ASP 104 -22.006 17.556 6.177 815 HB3 ASP 104 HB1 ASP 104 -22.013 15.895 5.594 816 HHB HEM 400 HB HEM 400 11.786 5.145 -1.970 817 HHC HEM 400 HC HEM 400 5.500 4.820 -2.615 818 HHD HEM 400 HD HEM 400 5.409 10.819 -4.660 819 HMA HEM 400 HMA1 HEM 400 14.079 5.852 -2.973 820 HMAA HEM 400 HMA2 HEM 400 13.821 6.363 -1.307 821 HMAB HEM 400 HMA3 HEM 400 14.851 7.314 -2.371 822 HAA HEM 400 HAA1 HEM 400 14.336 10.007 -2.525 823 HAAA HEM 400 HAA2 HEM 400 13.668 10.496 -4.073 824 HBA HEM 400 HBA1 HEM 400 14.709 8.059 -4.720 825 HBAA HEM 400 HBA2 HEM 400 15.840 8.590 -3.475 826 HMB HEM 400 HMB1 HEM 400 10.607 2.395 -2.214 827 HMBA HEM 400 HMB2 HEM 400 9.710 2.345 -0.690 828 HMBB HEM 400 HMB3 HEM 400 11.094 3.422 -0.878 829 HAB HEM 400 HAB HEM 400 6.644 2.344 -2.482 830 HBB HEM 400 HBB1 HEM 400 7.512 2.777 0.489 831 HBBA HEM 400 HBB2 HEM 400 6.343 1.438 -0.240 832 HMC HEM 400 HMC1 HEM 400 2.362 6.800 -3.349 833 HMCA HEM 400 HMC2 HEM 400 3.366 5.670 -2.440 834 HMCB HEM 400 HMC3 HEM 400 3.234 5.540 -4.194 835 HAC HEM 400 HAC HEM 400 3.248 9.739 -5.193 836 HBC HEM 400 HBC1 HEM 400 2.038 8.735 -2.491 837 HBCA HEM 400 HBC2 HEM 400 1.256 9.905 -3.798 838 HMD HEM 400 HMD1 HEM 400 6.159 12.583 -5.819 839 HMDA HEM 400 HMD2 HEM 400 7.531 13.696 -5.850 840 HMDB HEM 400 HMD3 HEM 400 6.571 13.497 -4.381 841 HAD HEM 400 HAD1 HEM 400 9.496 13.996 -5.124 842 HADA HEM 400 HAD2 HEM 400 10.796 13.260 -4.200 843 HBD HEM 400 HBD1 HEM 400 10.552 12.026 -6.818 844 HBDA HEM 400 HBD2 HEM 400 11.951 12.789 -6.063 845 HHA HEM 400 HA HEM 400 11.717 11.083 -4.157 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 21.031 -13.141 16.937 2 H2 MET 1 HT2 MET 1 22.002 -13.330 18.305 3 H3 MET 1 HT3 MET 1 21.197 -11.867 18.034 4 HA MET 1 HA MET 1 19.926 -14.478 18.597 5 HB2 MET 1 HB2 MET 1 21.022 -13.457 20.558 6 HB3 MET 1 HB1 MET 1 20.118 -11.974 20.285 7 HG2 MET 1 HG2 MET 1 18.041 -13.534 20.478 8 HG3 MET 1 HG1 MET 1 19.170 -14.608 21.302 9 HE1 MET 1 HE1 MET 1 20.471 -13.940 23.547 10 HE2 MET 1 HE2 MET 1 20.346 -12.351 24.295 11 HE3 MET 1 HE3 MET 1 21.100 -12.519 22.714 12 H ALA 2 HN ALA 2 19.453 -10.977 18.105 13 HA ALA 2 HA ALA 2 16.632 -11.528 17.498 14 HB1 ALA 2 HB1 ALA 2 17.010 -9.859 19.223 15 HB2 ALA 2 HB2 ALA 2 16.278 -9.122 17.799 16 HB3 ALA 2 HB3 ALA 2 17.998 -8.915 18.110 17 H ALA 3 HN ALA 3 17.989 -12.441 15.488 18 HA ALA 3 HA ALA 3 17.678 -10.394 13.408 19 HB1 ALA 3 HB1 ALA 3 19.664 -11.266 12.245 20 HB2 ALA 3 HB2 ALA 3 19.987 -12.322 13.619 21 HB3 ALA 3 HB3 ALA 3 20.058 -10.573 13.818 22 H GLN 4 HN GLN 4 16.593 -11.060 11.653 23 HA GLN 4 HA GLN 4 16.404 -13.863 10.971 24 HB2 GLN 4 HB2 GLN 4 13.889 -13.778 10.924 25 HB3 GLN 4 HB1 GLN 4 14.598 -13.795 12.531 26 HG2 GLN 4 HG2 GLN 4 14.271 -11.375 12.700 27 HG3 GLN 4 HG1 GLN 4 13.545 -11.367 11.092 28 HE21 GLN 4 HE21 GLN 4 12.441 -10.603 13.695 29 HE22 GLN 4 HE22 GLN 4 11.018 -11.563 13.911 30 H SER 5 HN SER 5 15.151 -14.143 8.916 31 HA SER 5 HA SER 5 14.739 -11.785 7.299 32 HB2 SER 5 HB2 SER 5 16.817 -13.815 6.436 33 HB3 SER 5 HB1 SER 5 16.339 -12.359 5.565 34 HG SER 5 HG SER 5 17.050 -11.648 8.025 35 H ASP 6 HN ASP 6 12.692 -12.346 6.767 36 HA ASP 6 HA ASP 6 12.373 -14.708 5.090 37 HB2 ASP 6 HB2 ASP 6 11.795 -15.403 7.425 38 HB3 ASP 6 HB1 ASP 6 10.517 -14.190 7.420 39 H LYS 7 HN LYS 7 10.999 -14.393 3.440 40 HA LYS 7 HA LYS 7 9.397 -11.916 3.457 41 HB2 LYS 7 HB2 LYS 7 10.468 -13.230 0.962 42 HB3 LYS 7 HB1 LYS 7 9.854 -11.596 1.153 43 HG2 LYS 7 HG2 LYS 7 12.386 -12.581 2.445 44 HG3 LYS 7 HG1 LYS 7 12.332 -11.778 0.873 45 HD2 LYS 7 HD2 LYS 7 11.463 -9.774 1.866 46 HD3 LYS 7 HD1 LYS 7 11.261 -10.570 3.427 47 HE2 LYS 7 HE2 LYS 7 13.589 -10.700 3.779 48 HE3 LYS 7 HE1 LYS 7 13.944 -10.324 2.093 49 HZ1 LYS 7 HZ1 LYS 7 14.347 -8.451 3.609 50 HZ2 LYS 7 HZ2 LYS 7 12.707 -8.432 4.023 51 HZ3 LYS 7 HZ3 LYS 7 13.183 -8.086 2.438 52 H ASP 8 HN ASP 8 7.437 -12.798 4.060 53 HA ASP 8 HA ASP 8 6.434 -15.046 2.452 54 HB2 ASP 8 HB2 ASP 8 6.440 -15.430 4.883 55 HB3 ASP 8 HB1 ASP 8 5.432 -14.005 5.111 56 H VAL 9 HN VAL 9 5.081 -14.574 0.886 57 HA VAL 9 HA VAL 9 3.756 -11.990 0.849 58 HB VAL 9 HB VAL 9 4.784 -12.596 -1.218 59 HG11 VAL 9 HG11 VAL 9 3.178 -15.141 -1.134 60 HG12 VAL 9 HG12 VAL 9 4.924 -14.988 -0.958 61 HG13 VAL 9 HG13 VAL 9 4.158 -14.601 -2.496 62 HG21 VAL 9 HG21 VAL 9 2.875 -11.386 -1.721 63 HG22 VAL 9 HG22 VAL 9 1.795 -12.692 -1.236 64 HG23 VAL 9 HG23 VAL 9 2.706 -12.815 -2.742 65 H LYS 10 HN LYS 10 1.870 -11.771 1.805 66 HA LYS 10 HA LYS 10 0.051 -14.076 1.949 67 HB2 LYS 10 HB2 LYS 10 0.944 -12.361 3.919 68 HB3 LYS 10 HB1 LYS 10 -0.646 -11.716 3.530 69 HG2 LYS 10 HG2 LYS 10 -1.710 -13.737 4.105 70 HG3 LYS 10 HG1 LYS 10 -0.179 -14.614 4.151 71 HD2 LYS 10 HD2 LYS 10 -0.736 -12.302 5.981 72 HD3 LYS 10 HD1 LYS 10 -1.223 -13.948 6.387 73 HE2 LYS 10 HE2 LYS 10 1.600 -13.123 5.709 74 HE3 LYS 10 HE1 LYS 10 0.974 -13.268 7.349 75 HZ1 LYS 10 HZ1 LYS 10 0.353 -15.632 6.048 76 HZ2 LYS 10 HZ2 LYS 10 1.494 -15.401 7.272 77 HZ3 LYS 10 HZ3 LYS 10 1.967 -15.290 5.647 78 H TYR 11 HN TYR 11 -2.174 -13.783 1.451 79 HA TYR 11 HA TYR 11 -2.608 -11.536 -0.386 80 HB2 TYR 11 HB2 TYR 11 -3.672 -14.340 -0.350 81 HB3 TYR 11 HB1 TYR 11 -4.558 -13.067 -1.187 82 HD1 TYR 11 HD2 TYR 11 -1.217 -14.688 -0.989 83 HD2 TYR 11 HD1 TYR 11 -3.930 -12.418 -3.346 84 HE1 TYR 11 HE2 TYR 11 0.278 -14.923 -2.923 85 HE2 TYR 11 HE1 TYR 11 -2.439 -12.638 -5.288 86 HH TYR 11 HH TYR 11 0.017 -13.052 -5.693 87 H TYR 12 HN TYR 12 -3.798 -9.961 0.295 88 HA TYR 12 HA TYR 12 -5.758 -10.464 2.431 89 HB2 TYR 12 HB2 TYR 12 -4.437 -7.863 1.612 90 HB3 TYR 12 HB1 TYR 12 -5.574 -8.063 2.943 91 HD1 TYR 12 HD2 TYR 12 -4.883 -9.335 4.970 92 HD2 TYR 12 HD1 TYR 12 -2.138 -8.435 1.845 93 HE1 TYR 12 HE2 TYR 12 -3.008 -9.833 6.482 94 HE2 TYR 12 HE1 TYR 12 -0.254 -8.929 3.348 95 HH TYR 12 HH TYR 12 -0.791 -10.116 6.651 96 H THR 13 HN THR 13 -7.689 -8.995 2.350 97 HA THR 13 HA THR 13 -8.749 -8.968 -0.371 98 HB THR 13 HB THR 13 -10.851 -8.333 1.267 99 HG1 THR 13 HG1 THR 13 -10.499 -9.079 3.231 100 HG21 THR 13 HG21 THR 13 -11.514 -10.686 1.028 101 HG22 THR 13 HG22 THR 13 -9.869 -11.104 0.556 102 HG23 THR 13 HG23 THR 13 -10.840 -10.058 -0.476 103 H LEU 14 HN LEU 14 -10.105 -7.147 -1.037 104 HA LEU 14 HA LEU 14 -8.821 -4.675 -0.781 105 HB2 LEU 14 HB2 LEU 14 -10.267 -5.310 -2.672 106 HB3 LEU 14 HB1 LEU 14 -11.667 -5.227 -1.619 107 HG LEU 14 HG LEU 14 -11.126 -2.783 -1.267 108 HD11 LEU 14 HD11 LEU 14 -8.800 -2.831 -1.972 109 HD12 LEU 14 HD12 LEU 14 -9.731 -1.698 -2.951 110 HD13 LEU 14 HD13 LEU 14 -9.291 -3.275 -3.606 111 HD21 LEU 14 HD21 LEU 14 -12.113 -2.112 -3.413 112 HD22 LEU 14 HD22 LEU 14 -12.928 -3.512 -2.719 113 HD23 LEU 14 HD23 LEU 14 -11.794 -3.723 -4.054 114 H GLU 15 HN GLU 15 -11.633 -6.003 0.877 115 HA GLU 15 HA GLU 15 -12.216 -3.590 2.312 116 HB2 GLU 15 HB2 GLU 15 -13.704 -5.153 3.671 117 HB3 GLU 15 HB1 GLU 15 -14.064 -5.003 1.958 118 HG2 GLU 15 HG2 GLU 15 -12.276 -7.212 2.835 119 HG3 GLU 15 HG1 GLU 15 -14.002 -7.339 3.169 120 H GLU 16 HN GLU 16 -9.710 -5.699 2.607 121 HA GLU 16 HA GLU 16 -9.547 -5.519 5.531 122 HB2 GLU 16 HB2 GLU 16 -9.084 -7.721 4.790 123 HB3 GLU 16 HB1 GLU 16 -8.084 -7.157 3.464 124 HG2 GLU 16 HG2 GLU 16 -6.668 -8.122 5.113 125 HG3 GLU 16 HG1 GLU 16 -6.412 -6.379 5.127 126 H ILE 17 HN ILE 17 -7.649 -4.788 2.612 127 HA ILE 17 HA ILE 17 -5.534 -3.511 3.966 128 HB ILE 17 HB ILE 17 -5.073 -2.433 1.695 129 HG12 ILE 17 HG12 ILE 17 -6.317 -4.067 -0.064 130 HG13 ILE 17 HG11 ILE 17 -7.599 -3.884 1.128 131 HG21 ILE 17 HG21 ILE 17 -4.268 -4.568 0.763 132 HG22 ILE 17 HG22 ILE 17 -5.218 -5.429 1.976 133 HG23 ILE 17 HG23 ILE 17 -3.892 -4.379 2.476 134 HD11 ILE 17 HD11 ILE 17 -8.045 -1.807 0.477 135 HD12 ILE 17 HD12 ILE 17 -7.107 -2.201 -0.962 136 HD13 ILE 17 HD13 ILE 17 -6.340 -1.365 0.390 137 H LYS 18 HN LYS 18 -8.544 -2.193 2.603 138 HA LYS 18 HA LYS 18 -7.704 0.501 3.282 139 HB2 LYS 18 HB2 LYS 18 -9.733 1.260 2.256 140 HB3 LYS 18 HB1 LYS 18 -8.999 0.051 1.216 141 HG2 LYS 18 HG2 LYS 18 -10.643 -1.527 1.681 142 HG3 LYS 18 HG1 LYS 18 -11.151 -0.698 3.154 143 HD2 LYS 18 HD2 LYS 18 -12.803 -0.370 1.404 144 HD3 LYS 18 HD1 LYS 18 -12.017 1.161 1.789 145 HE2 LYS 18 HE2 LYS 18 -10.447 0.630 -0.164 146 HE3 LYS 18 HE1 LYS 18 -11.630 -0.591 -0.622 147 HZ1 LYS 18 HZ1 LYS 18 -12.048 1.436 -1.809 148 HZ2 LYS 18 HZ2 LYS 18 -12.110 2.326 -0.374 149 HZ3 LYS 18 HZ3 LYS 18 -13.307 1.184 -0.709 150 H LYS 19 HN LYS 19 -8.445 -1.810 5.211 151 HA LYS 19 HA LYS 19 -10.065 -0.114 6.990 152 HB2 LYS 19 HB2 LYS 19 -11.184 -2.250 6.078 153 HB3 LYS 19 HB1 LYS 19 -10.054 -3.126 7.102 154 HG2 LYS 19 HG2 LYS 19 -12.003 -2.973 8.370 155 HG3 LYS 19 HG1 LYS 19 -10.956 -1.714 9.023 156 HD2 LYS 19 HD2 LYS 19 -13.021 -0.651 8.823 157 HD3 LYS 19 HD1 LYS 19 -12.164 -0.157 7.361 158 HE2 LYS 19 HE2 LYS 19 -14.393 -0.759 6.743 159 HE3 LYS 19 HE1 LYS 19 -13.302 -2.010 6.149 160 HZ1 LYS 19 HZ1 LYS 19 -13.911 -3.402 8.005 161 HZ2 LYS 19 HZ2 LYS 19 -15.304 -2.926 7.180 162 HZ3 LYS 19 HZ3 LYS 19 -14.897 -2.189 8.644 163 H HIS 20 HN HIS 20 -7.122 -1.402 6.384 164 HA HIS 20 HA HIS 20 -6.437 -1.687 9.229 165 HB2 HIS 20 HB2 HIS 20 -5.909 -3.406 7.154 166 HB3 HIS 20 HB1 HIS 20 -4.411 -2.488 7.261 167 HD1 HIS 20 HD1 HIS 20 -5.725 -5.507 8.424 168 HD2 HIS 20 HD2 HIS 20 -3.693 -2.381 10.284 169 HE1 HIS 20 HE1 HIS 20 -4.728 -6.486 10.520 170 HE2 HIS 20 HE2 HIS 20 -3.508 -4.583 11.634 171 H ASN 21 HN ASN 21 -6.252 0.410 6.635 172 HA ASN 21 HA ASN 21 -3.659 1.503 6.979 173 HB2 ASN 21 HB2 ASN 21 -4.585 3.454 5.692 174 HB3 ASN 21 HB1 ASN 21 -4.782 1.896 4.903 175 HD21 ASN 21 HD21 ASN 21 -6.251 4.285 4.375 176 HD22 ASN 21 HD22 ASN 21 -7.911 3.947 4.721 177 H HIS 22 HN HIS 22 -3.080 2.170 8.938 178 HA HIS 22 HA HIS 22 -4.571 4.390 10.114 179 HB2 HIS 22 HB2 HIS 22 -3.931 1.798 11.507 180 HB3 HIS 22 HB1 HIS 22 -4.142 3.290 12.416 181 HD1 HIS 22 HD1 HIS 22 -6.565 4.460 12.117 182 HD2 HIS 22 HD2 HIS 22 -6.259 0.500 10.881 183 HE1 HIS 22 HE1 HIS 22 -8.927 3.628 11.919 184 HE2 HIS 22 HE2 HIS 22 -8.726 1.232 11.173 185 H SER 23 HN SER 23 -3.115 4.729 12.406 186 HA SER 23 HA SER 23 -0.899 6.153 11.553 187 HB2 SER 23 HB2 SER 23 -0.349 5.707 14.178 188 HB3 SER 23 HB1 SER 23 -1.505 6.906 13.596 189 HG SER 23 HG SER 23 -2.880 5.811 14.754 190 H LYS 24 HN LYS 24 -0.896 3.047 13.321 191 HA LYS 24 HA LYS 24 1.898 2.690 12.492 192 HB2 LYS 24 HB2 LYS 24 1.931 0.884 14.234 193 HB3 LYS 24 HB1 LYS 24 1.659 2.505 14.851 194 HG2 LYS 24 HG2 LYS 24 -0.876 1.394 14.331 195 HG3 LYS 24 HG1 LYS 24 0.068 0.171 15.186 196 HD2 LYS 24 HD2 LYS 24 0.689 1.996 16.827 197 HD3 LYS 24 HD1 LYS 24 -0.542 2.988 16.049 198 HE2 LYS 24 HE2 LYS 24 -2.254 1.401 16.628 199 HE3 LYS 24 HE1 LYS 24 -1.052 0.285 17.272 200 HZ1 LYS 24 HZ1 LYS 24 -1.641 2.987 18.353 201 HZ2 LYS 24 HZ2 LYS 24 -0.521 1.887 18.986 202 HZ3 LYS 24 HZ3 LYS 24 -2.172 1.525 19.022 203 H SER 25 HN SER 25 -0.397 2.242 10.743 204 HA SER 25 HA SER 25 0.379 -0.363 9.782 205 HB2 SER 25 HB2 SER 25 -2.531 0.158 10.438 206 HB3 SER 25 HB1 SER 25 -1.871 -1.305 9.715 207 HG SER 25 HG SER 25 -0.515 -0.890 11.935 208 H THR 26 HN THR 26 0.801 2.170 8.790 209 HA THR 26 HA THR 26 -1.167 2.894 6.849 210 HB THR 26 HB THR 26 1.610 3.842 6.484 211 HG1 THR 26 HG1 THR 26 0.097 4.515 8.822 212 HG21 THR 26 HG21 THR 26 0.464 6.019 6.387 213 HG22 THR 26 HG22 THR 26 -1.054 5.232 6.811 214 HG23 THR 26 HG23 THR 26 -0.261 4.849 5.286 215 H TRP 27 HN TRP 27 -1.459 0.951 5.672 216 HA TRP 27 HA TRP 27 0.778 -0.068 4.114 217 HB2 TRP 27 HB2 TRP 27 -2.079 -0.971 4.466 218 HB3 TRP 27 HB1 TRP 27 -0.986 -1.715 3.305 219 HD1 TRP 27 HD1 TRP 27 1.181 -0.980 6.088 220 HE1 TRP 27 HE1 TRP 27 1.437 -2.985 7.673 221 HE3 TRP 27 HE3 TRP 27 -2.770 -3.803 4.468 222 HZ2 TRP 27 HZ2 TRP 27 0.140 -5.440 8.170 223 HZ3 TRP 27 HZ3 TRP 27 -3.189 -5.969 5.554 224 HH2 TRP 27 HH2 TRP 27 -1.762 -6.771 7.367 225 H LEU 28 HN LEU 28 1.033 0.220 1.984 226 HA LEU 28 HA LEU 28 -1.005 1.810 0.569 227 HB2 LEU 28 HB2 LEU 28 1.586 2.580 1.193 228 HB3 LEU 28 HB1 LEU 28 1.701 2.056 -0.473 229 HG LEU 28 HG LEU 28 -0.424 4.002 0.365 230 HD11 LEU 28 HD11 LEU 28 1.110 5.821 -0.252 231 HD12 LEU 28 HD12 LEU 28 2.423 4.653 -0.393 232 HD13 LEU 28 HD13 LEU 28 1.666 4.942 1.174 233 HD21 LEU 28 HD21 LEU 28 -0.067 4.742 -2.004 234 HD22 LEU 28 HD22 LEU 28 -0.708 3.108 -1.821 235 HD23 LEU 28 HD23 LEU 28 0.997 3.349 -2.211 236 H ILE 29 HN ILE 29 -1.358 1.288 -1.616 237 HA ILE 29 HA ILE 29 -0.346 -1.366 -2.358 238 HB ILE 29 HB ILE 29 -2.740 0.105 -3.462 239 HG12 ILE 29 HG12 ILE 29 -2.667 -2.274 -1.600 240 HG13 ILE 29 HG11 ILE 29 -2.963 -0.619 -1.076 241 HG21 ILE 29 HG21 ILE 29 -3.303 -2.066 -4.475 242 HG22 ILE 29 HG22 ILE 29 -1.770 -2.716 -3.890 243 HG23 ILE 29 HG23 ILE 29 -1.780 -1.415 -5.084 244 HD11 ILE 29 HD11 ILE 29 -4.955 -0.561 -2.531 245 HD12 ILE 29 HD12 ILE 29 -5.045 -1.796 -1.277 246 HD13 ILE 29 HD13 ILE 29 -4.670 -2.254 -2.937 247 H LEU 30 HN LEU 30 1.164 -1.478 -3.813 248 HA LEU 30 HA LEU 30 1.284 0.532 -5.954 249 HB2 LEU 30 HB2 LEU 30 3.605 -0.620 -4.397 250 HB3 LEU 30 HB1 LEU 30 3.775 0.335 -5.858 251 HG LEU 30 HG LEU 30 2.458 1.376 -3.351 252 HD11 LEU 30 HD11 LEU 30 4.590 2.622 -3.019 253 HD12 LEU 30 HD12 LEU 30 5.323 1.599 -4.253 254 HD13 LEU 30 HD13 LEU 30 4.717 0.886 -2.759 255 HD21 LEU 30 HD21 LEU 30 3.503 2.730 -5.837 256 HD22 LEU 30 HD22 LEU 30 2.899 3.562 -4.404 257 HD23 LEU 30 HD23 LEU 30 1.814 2.555 -5.361 258 H HIS 31 HN HIS 31 1.006 -0.437 -7.838 259 HA HIS 31 HA HIS 31 1.073 -1.945 -9.535 260 HB2 HIS 31 HB2 HIS 31 3.334 -3.044 -7.870 261 HB3 HIS 31 HB1 HIS 31 2.773 -3.894 -9.303 262 HD1 HIS 31 HD1 HIS 31 3.779 -3.190 -11.466 263 HD2 HIS 31 HD2 HIS 31 4.280 -0.330 -8.483 264 HE1 HIS 31 HE1 HIS 31 5.274 -1.425 -12.457 265 HE2 HIS 31 HE2 HIS 31 5.520 0.321 -10.663 266 H HIS 32 HN HIS 32 -0.689 -2.129 -7.280 267 HA HIS 32 HA HIS 32 -2.397 -3.413 -6.551 268 HB2 HIS 32 HB2 HIS 32 -1.417 -5.381 -8.628 269 HB3 HIS 32 HB1 HIS 32 -2.915 -5.553 -7.720 270 HD1 HIS 32 HD1 HIS 32 -2.274 -4.949 -10.928 271 HD2 HIS 32 HD2 HIS 32 -4.068 -2.496 -8.094 272 HE1 HIS 32 HE1 HIS 32 -3.663 -3.311 -12.234 273 HE2 HIS 32 HE2 HIS 32 -4.599 -1.738 -10.511 274 H LYS 33 HN LYS 33 0.373 -3.604 -5.474 275 HA LYS 33 HA LYS 33 0.041 -6.115 -3.976 276 HB2 LYS 33 HB2 LYS 33 2.626 -4.712 -4.682 277 HB3 LYS 33 HB1 LYS 33 2.492 -6.168 -3.704 278 HG2 LYS 33 HG2 LYS 33 1.553 -7.354 -5.638 279 HG3 LYS 33 HG1 LYS 33 1.744 -5.895 -6.609 280 HD2 LYS 33 HD2 LYS 33 4.175 -5.959 -6.172 281 HD3 LYS 33 HD1 LYS 33 3.956 -7.464 -5.277 282 HE2 LYS 33 HE2 LYS 33 3.061 -8.518 -7.302 283 HE3 LYS 33 HE1 LYS 33 3.311 -7.014 -8.188 284 HZ1 LYS 33 HZ1 LYS 33 5.698 -7.210 -7.678 285 HZ2 LYS 33 HZ2 LYS 33 5.124 -8.495 -8.613 286 HZ3 LYS 33 HZ3 LYS 33 5.411 -8.715 -6.961 287 H VAL 34 HN VAL 34 0.685 -6.017 -1.728 288 HA VAL 34 HA VAL 34 0.113 -3.368 -0.616 289 HB VAL 34 HB VAL 34 0.291 -5.825 1.079 290 HG11 VAL 34 HG11 VAL 34 -1.319 -4.691 2.435 291 HG12 VAL 34 HG12 VAL 34 -1.598 -3.476 1.186 292 HG13 VAL 34 HG13 VAL 34 -0.048 -3.536 2.028 293 HG21 VAL 34 HG21 VAL 34 -1.061 -6.502 -0.844 294 HG22 VAL 34 HG22 VAL 34 -2.104 -5.097 -0.604 295 HG23 VAL 34 HG23 VAL 34 -2.038 -6.368 0.620 296 H TYR 35 HN TYR 35 1.603 -2.178 0.355 297 HA TYR 35 HA TYR 35 4.110 -3.479 1.211 298 HB2 TYR 35 HB2 TYR 35 3.711 -0.773 -0.074 299 HB3 TYR 35 HB1 TYR 35 5.217 -1.275 0.690 300 HD1 TYR 35 HD1 TYR 35 2.969 -1.797 -2.171 301 HD2 TYR 35 HD2 TYR 35 6.675 -2.875 -0.385 302 HE1 TYR 35 HE1 TYR 35 3.673 -2.843 -4.278 303 HE2 TYR 35 HE2 TYR 35 7.392 -3.923 -2.495 304 HH TYR 35 HH TYR 35 5.740 -3.446 -5.426 305 H ASP 36 HN ASP 36 4.838 -3.047 3.222 306 HA ASP 36 HA ASP 36 3.160 -1.352 4.936 307 HB2 ASP 36 HB2 ASP 36 3.539 -3.677 5.670 308 HB3 ASP 36 HB1 ASP 36 5.275 -3.400 5.657 309 H LEU 37 HN LEU 37 3.874 0.687 4.695 310 HA LEU 37 HA LEU 37 6.709 1.194 5.314 311 HB2 LEU 37 HB2 LEU 37 6.805 2.957 3.730 312 HB3 LEU 37 HB1 LEU 37 6.080 1.600 2.897 313 HG LEU 37 HG LEU 37 4.340 3.708 4.124 314 HD11 LEU 37 HD11 LEU 37 5.655 3.845 1.415 315 HD12 LEU 37 HD12 LEU 37 5.964 4.920 2.777 316 HD13 LEU 37 HD13 LEU 37 4.382 4.918 1.996 317 HD21 LEU 37 HD21 LEU 37 3.879 2.243 1.565 318 HD22 LEU 37 HD22 LEU 37 2.712 2.918 2.700 319 HD23 LEU 37 HD23 LEU 37 3.584 1.442 3.106 320 H THR 38 HN THR 38 4.377 1.032 7.025 321 HA THR 38 HA THR 38 3.258 3.470 7.707 322 HB THR 38 HB THR 38 2.524 1.229 8.524 323 HG1 THR 38 HG1 THR 38 2.210 3.509 9.611 324 HG21 THR 38 HG21 THR 38 4.780 1.579 10.495 325 HG22 THR 38 HG22 THR 38 4.683 0.341 9.243 326 HG23 THR 38 HG23 THR 38 3.527 0.343 10.576 327 H LYS 39 HN LYS 39 6.456 2.258 8.512 328 HA LYS 39 HA LYS 39 6.843 4.629 10.209 329 HB2 LYS 39 HB2 LYS 39 8.157 1.927 10.239 330 HB3 LYS 39 HB1 LYS 39 8.943 3.320 10.971 331 HG2 LYS 39 HG2 LYS 39 6.187 2.355 11.697 332 HG3 LYS 39 HG1 LYS 39 7.657 1.925 12.569 333 HD2 LYS 39 HD2 LYS 39 8.044 4.220 13.163 334 HD3 LYS 39 HD1 LYS 39 6.713 4.757 12.141 335 HE2 LYS 39 HE2 LYS 39 5.147 3.493 13.571 336 HE3 LYS 39 HE1 LYS 39 6.494 3.054 14.619 337 HZ1 LYS 39 HZ1 LYS 39 6.778 5.271 15.284 338 HZ2 LYS 39 HZ2 LYS 39 5.106 5.026 15.324 339 HZ3 LYS 39 HZ3 LYS 39 5.803 5.872 14.042 340 H PHE 40 HN PHE 40 6.999 4.261 7.216 341 HA PHE 40 HA PHE 40 9.731 5.314 6.867 342 HB2 PHE 40 HB2 PHE 40 9.350 3.083 5.802 343 HB3 PHE 40 HB1 PHE 40 8.093 3.810 4.814 344 HD1 PHE 40 HD1 PHE 40 11.703 4.179 5.637 345 HD2 PHE 40 HD2 PHE 40 8.628 4.630 2.729 346 HE1 PHE 40 HE1 PHE 40 13.392 4.777 3.956 347 HE2 PHE 40 HE2 PHE 40 10.312 5.237 1.040 348 HZ PHE 40 HZ PHE 40 12.697 5.308 1.652 349 H LEU 41 HN LEU 41 6.583 6.159 7.002 350 HA LEU 41 HA LEU 41 6.151 7.750 4.728 351 HB2 LEU 41 HB2 LEU 41 5.093 8.400 7.470 352 HB3 LEU 41 HB1 LEU 41 4.362 8.760 5.919 353 HG LEU 41 HG LEU 41 4.715 5.941 6.919 354 HD11 LEU 41 HD11 LEU 41 3.376 7.200 8.532 355 HD12 LEU 41 HD12 LEU 41 2.402 6.020 7.657 356 HD13 LEU 41 HD13 LEU 41 2.311 7.729 7.231 357 HD21 LEU 41 HD21 LEU 41 2.914 7.161 4.832 358 HD22 LEU 41 HD22 LEU 41 2.952 5.461 5.299 359 HD23 LEU 41 HD23 LEU 41 4.356 6.193 4.520 360 H GLU 42 HN GLU 42 7.585 8.486 7.862 361 HA GLU 42 HA GLU 42 8.016 11.251 7.218 362 HB2 GLU 42 HB2 GLU 42 9.146 11.336 9.383 363 HB3 GLU 42 HB1 GLU 42 7.581 10.546 9.506 364 HG2 GLU 42 HG2 GLU 42 8.756 8.356 9.399 365 HG3 GLU 42 HG1 GLU 42 10.285 9.230 9.479 366 H GLU 43 HN GLU 43 9.707 8.354 6.641 367 HA GLU 43 HA GLU 43 12.288 9.698 6.366 368 HB2 GLU 43 HB2 GLU 43 11.563 6.766 6.109 369 HB3 GLU 43 HB1 GLU 43 13.190 7.426 5.993 370 HG2 GLU 43 HG2 GLU 43 12.949 8.279 8.312 371 HG3 GLU 43 HG1 GLU 43 11.398 7.450 8.408 372 H HIS 44 HN HIS 44 9.742 9.740 4.593 373 HA HIS 44 HA HIS 44 10.914 8.903 2.057 374 HB2 HIS 44 HB2 HIS 44 8.604 8.243 2.514 375 HB3 HIS 44 HB1 HIS 44 8.158 9.930 2.741 376 HD1 HIS 44 HD1 HIS 44 6.956 10.823 0.747 377 HD2 HIS 44 HD2 HIS 44 9.785 7.950 -0.276 378 HE1 HIS 44 HE1 HIS 44 6.832 10.563 -1.768 379 HA PRO 45 HA PRO 45 12.245 13.162 1.516 380 HB2 PRO 45 HB2 PRO 45 13.445 12.788 -0.891 381 HB3 PRO 45 HB1 PRO 45 14.194 12.310 0.640 382 HG2 PRO 45 HG2 PRO 45 12.735 10.623 -1.345 383 HG3 PRO 45 HG1 PRO 45 14.229 10.273 -0.451 384 HD2 PRO 45 HD2 PRO 45 11.833 9.272 0.292 385 HD3 PRO 45 HD1 PRO 45 13.109 9.673 1.459 386 H GLY 46 HN GLY 46 9.944 13.687 1.323 387 HA2 GLY 46 HA2 GLY 46 9.336 15.150 -0.936 388 HA3 GLY 46 HA1 GLY 46 8.601 13.571 -1.185 389 H GLY 47 HN GLY 47 8.258 13.304 1.796 390 HA2 GLY 47 HA2 GLY 47 6.959 14.782 3.363 391 HA3 GLY 47 HA1 GLY 47 5.905 15.079 1.990 392 H GLU 48 HN GLU 48 5.132 14.027 4.528 393 HA GLU 48 HA GLU 48 4.565 11.205 3.994 394 HB2 GLU 48 HB2 GLU 48 3.695 11.203 6.335 395 HB3 GLU 48 HB1 GLU 48 5.390 11.653 6.214 396 HG2 GLU 48 HG2 GLU 48 4.708 14.035 6.366 397 HG3 GLU 48 HG1 GLU 48 3.052 13.501 6.643 398 H GLU 49 HN GLU 49 3.151 14.292 3.822 399 HA GLU 49 HA GLU 49 0.453 13.811 4.283 400 HB2 GLU 49 HB2 GLU 49 1.977 15.946 3.408 401 HB3 GLU 49 HB1 GLU 49 0.952 15.598 2.024 402 HG2 GLU 49 HG2 GLU 49 -0.420 17.025 3.099 403 HG3 GLU 49 HG1 GLU 49 -0.910 15.541 3.911 404 H VAL 50 HN VAL 50 2.281 13.546 1.256 405 HA VAL 50 HA VAL 50 0.094 12.752 -0.343 406 HB VAL 50 HB VAL 50 1.812 12.000 -1.981 407 HG11 VAL 50 HG11 VAL 50 2.769 14.231 -2.367 408 HG12 VAL 50 HG12 VAL 50 2.245 14.719 -0.757 409 HG13 VAL 50 HG13 VAL 50 1.050 14.299 -1.983 410 HG21 VAL 50 HG21 VAL 50 4.183 12.423 -1.490 411 HG22 VAL 50 HG22 VAL 50 3.506 11.192 -0.424 412 HG23 VAL 50 HG23 VAL 50 3.759 12.833 0.171 413 H LEU 51 HN LEU 51 2.023 10.996 1.895 414 HA LEU 51 HA LEU 51 1.417 8.426 0.673 415 HB2 LEU 51 HB2 LEU 51 2.910 9.115 3.199 416 HB3 LEU 51 HB1 LEU 51 2.718 7.495 2.561 417 HG LEU 51 HG LEU 51 4.181 9.751 1.188 418 HD11 LEU 51 HD11 LEU 51 5.405 8.995 3.110 419 HD12 LEU 51 HD12 LEU 51 6.182 8.384 1.652 420 HD13 LEU 51 HD13 LEU 51 5.189 7.311 2.637 421 HD21 LEU 51 HD21 LEU 51 4.965 7.935 -0.324 422 HD22 LEU 51 HD22 LEU 51 3.244 8.290 -0.462 423 HD23 LEU 51 HD23 LEU 51 3.781 6.862 0.424 424 H ARG 52 HN ARG 52 0.592 10.254 3.594 425 HA ARG 52 HA ARG 52 -0.887 8.233 4.853 426 HB2 ARG 52 HB2 ARG 52 -1.707 9.905 6.327 427 HB3 ARG 52 HB1 ARG 52 -0.060 10.350 5.913 428 HG2 ARG 52 HG2 ARG 52 -0.841 12.369 5.431 429 HG3 ARG 52 HG1 ARG 52 -1.610 11.645 4.015 430 HD2 ARG 52 HD2 ARG 52 -3.338 12.782 5.129 431 HD3 ARG 52 HD1 ARG 52 -3.560 11.088 5.565 432 HE ARG 52 HE ARG 52 -3.119 11.628 7.746 433 HH11 ARG 52 HH11 ARG 52 -2.125 14.262 5.645 434 HH12 ARG 52 HH12 ARG 52 -1.667 15.343 7.012 435 HH21 ARG 52 HH21 ARG 52 -2.592 12.968 9.519 436 HH22 ARG 52 HH22 ARG 52 -1.957 14.626 9.195 437 H GLU 53 HN GLU 53 -1.812 10.442 2.287 438 HA GLU 53 HA GLU 53 -4.617 9.755 2.647 439 HB2 GLU 53 HB2 GLU 53 -5.041 11.325 0.805 440 HB3 GLU 53 HB1 GLU 53 -4.137 12.055 2.122 441 HG2 GLU 53 HG2 GLU 53 -2.124 12.005 0.877 442 HG3 GLU 53 HG1 GLU 53 -2.851 10.999 -0.380 443 H GLN 54 HN GLN 54 -2.046 8.314 1.182 444 HA GLN 54 HA GLN 54 -3.716 7.151 -0.945 445 HB2 GLN 54 HB2 GLN 54 -0.714 7.240 -0.605 446 HB3 GLN 54 HB1 GLN 54 -1.521 6.262 -1.822 447 HG2 GLN 54 HG2 GLN 54 -1.757 9.253 -1.595 448 HG3 GLN 54 HG1 GLN 54 -0.667 8.406 -2.691 449 HE21 GLN 54 HE21 GLN 54 -2.853 10.249 -3.289 450 HE22 GLN 54 HE22 GLN 54 -3.932 9.380 -4.324 451 H ALA 55 HN ALA 55 -2.902 6.692 2.131 452 HA ALA 55 HA ALA 55 -2.112 3.982 2.268 453 HB1 ALA 55 HB1 ALA 55 -3.594 5.569 4.360 454 HB2 ALA 55 HB2 ALA 55 -1.851 5.647 4.100 455 HB3 ALA 55 HB3 ALA 55 -2.598 4.134 4.612 456 H GLY 56 HN GLY 56 -3.266 2.215 1.906 457 HA2 GLY 56 HA2 GLY 56 -5.138 0.805 2.060 458 HA3 GLY 56 HA1 GLY 56 -6.139 2.205 2.421 459 H GLY 57 HN GLY 57 -4.213 2.997 -0.129 460 HA2 GLY 57 HA2 GLY 57 -6.132 1.976 -2.115 461 HA3 GLY 57 HA1 GLY 57 -5.709 3.680 -2.066 462 H ASP 58 HN ASP 58 -5.287 2.602 -4.397 463 HA ASP 58 HA ASP 58 -2.529 1.631 -4.533 464 HB2 ASP 58 HB2 ASP 58 -4.279 0.415 -5.824 465 HB3 ASP 58 HB1 ASP 58 -4.590 1.882 -6.744 466 H ALA 59 HN ALA 59 -0.926 2.974 -4.945 467 HA ALA 59 HA ALA 59 -1.576 5.575 -6.181 468 HB1 ALA 59 HB1 ALA 59 0.330 6.514 -4.980 469 HB2 ALA 59 HB2 ALA 59 0.665 4.937 -4.264 470 HB3 ALA 59 HB3 ALA 59 -0.827 5.788 -3.865 471 H THR 60 HN THR 60 -0.818 2.968 -7.458 472 HA THR 60 HA THR 60 1.826 3.024 -8.383 473 HB THR 60 HB THR 60 -0.556 2.048 -9.969 474 HG1 THR 60 HG1 THR 60 -0.809 0.910 -8.155 475 HG21 THR 60 HG21 THR 60 1.071 0.404 -10.834 476 HG22 THR 60 HG22 THR 60 2.343 1.201 -9.910 477 HG23 THR 60 HG23 THR 60 1.529 2.063 -11.215 478 H GLU 61 HN GLU 61 -1.053 4.702 -9.453 479 HA GLU 61 HA GLU 61 -0.179 5.644 -11.926 480 HB2 GLU 61 HB2 GLU 61 -1.862 7.459 -11.592 481 HB3 GLU 61 HB1 GLU 61 -2.491 5.840 -11.337 482 HG2 GLU 61 HG2 GLU 61 -2.513 6.128 -8.986 483 HG3 GLU 61 HG1 GLU 61 -1.581 7.619 -9.094 484 H ASN 62 HN ASN 62 0.147 7.106 -8.702 485 HA ASN 62 HA ASN 62 1.512 9.424 -9.688 486 HB2 ASN 62 HB2 ASN 62 0.150 9.190 -7.501 487 HB3 ASN 62 HB1 ASN 62 1.610 8.464 -6.834 488 HD21 ASN 62 HD21 ASN 62 0.155 11.355 -8.090 489 HD22 ASN 62 HD22 ASN 62 1.350 12.457 -7.502 490 H PHE 63 HN PHE 63 2.437 6.322 -8.383 491 HA PHE 63 HA PHE 63 5.123 6.776 -7.814 492 HB2 PHE 63 HB2 PHE 63 3.652 4.695 -7.384 493 HB3 PHE 63 HB1 PHE 63 4.125 4.196 -9.000 494 HD1 PHE 63 HD2 PHE 63 5.262 4.758 -5.570 495 HD2 PHE 63 HD1 PHE 63 6.376 3.475 -9.471 496 HE1 PHE 63 HE2 PHE 63 7.313 3.759 -4.650 497 HE2 PHE 63 HE1 PHE 63 8.430 2.472 -8.559 498 HZ PHE 63 HZ PHE 63 8.900 2.616 -6.146 499 H GLU 64 HN GLU 64 3.607 5.769 -10.875 500 HA GLU 64 HA GLU 64 6.169 5.868 -12.232 501 HB2 GLU 64 HB2 GLU 64 4.858 5.213 -14.244 502 HB3 GLU 64 HB1 GLU 64 4.692 4.099 -12.897 503 HG2 GLU 64 HG2 GLU 64 2.524 5.112 -12.341 504 HG3 GLU 64 HG1 GLU 64 2.692 6.191 -13.725 505 H ASP 65 HN ASP 65 3.446 7.909 -11.709 506 HA ASP 65 HA ASP 65 3.617 9.616 -13.929 507 HB2 ASP 65 HB2 ASP 65 1.751 9.610 -12.274 508 HB3 ASP 65 HB1 ASP 65 2.827 10.358 -11.099 509 H VAL 66 HN VAL 66 5.065 9.881 -10.703 510 HA VAL 66 HA VAL 66 6.621 12.188 -11.391 511 HB VAL 66 HB VAL 66 6.989 10.328 -9.033 512 HG11 VAL 66 HG11 VAL 66 8.873 11.844 -9.489 513 HG12 VAL 66 HG12 VAL 66 8.068 12.213 -7.968 514 HG13 VAL 66 HG13 VAL 66 7.773 13.219 -9.383 515 HG21 VAL 66 HG21 VAL 66 4.687 11.192 -9.163 516 HG22 VAL 66 HG22 VAL 66 5.321 12.836 -9.198 517 HG23 VAL 66 HG23 VAL 66 5.564 11.827 -7.773 518 H GLY 67 HN GLY 67 7.366 8.767 -10.801 519 HA2 GLY 67 HA2 GLY 67 8.920 7.572 -12.185 520 HA3 GLY 67 HA1 GLY 67 9.766 9.086 -12.478 521 H HIS 68 HN HIS 68 9.983 6.239 -10.900 522 HA HIS 68 HA HIS 68 11.526 7.410 -8.689 523 HB2 HIS 68 HB2 HIS 68 9.929 4.875 -8.880 524 HB3 HIS 68 HB1 HIS 68 11.224 5.031 -7.697 525 HD1 HIS 68 HD1 HIS 68 7.873 6.573 -8.583 526 HD2 HIS 68 HD2 HIS 68 10.639 6.496 -5.480 527 HE1 HIS 68 HE1 HIS 68 6.768 7.714 -6.615 528 H SER 69 HN SER 69 13.485 6.383 -8.081 529 HA SER 69 HA SER 69 15.120 5.685 -10.281 530 HB2 SER 69 HB2 SER 69 16.559 4.985 -8.042 531 HB3 SER 69 HB1 SER 69 16.496 6.604 -8.738 532 HG SER 69 HG SER 69 15.288 7.273 -7.132 533 H THR 70 HN THR 70 16.464 3.697 -10.374 534 HA THR 70 HA THR 70 14.831 1.390 -10.417 535 HB THR 70 HB THR 70 17.766 0.996 -10.421 536 HG1 THR 70 HG1 THR 70 16.408 2.750 -12.208 537 HG21 THR 70 HG21 THR 70 15.608 0.312 -12.425 538 HG22 THR 70 HG22 THR 70 16.124 -0.738 -11.108 539 HG23 THR 70 HG23 THR 70 17.253 -0.320 -12.394 540 H ASP 71 HN ASP 71 17.066 2.698 -8.075 541 HA ASP 71 HA ASP 71 17.241 0.306 -6.500 542 HB2 ASP 71 HB2 ASP 71 19.001 2.067 -6.489 543 HB3 ASP 71 HB1 ASP 71 17.862 3.159 -5.705 544 H ALA 72 HN ALA 72 15.261 3.203 -6.499 545 HA ALA 72 HA ALA 72 14.093 3.041 -3.991 546 HB1 ALA 72 HB1 ALA 72 12.814 3.979 -6.549 547 HB2 ALA 72 HB2 ALA 72 13.833 4.950 -5.484 548 HB3 ALA 72 HB3 ALA 72 12.272 4.359 -4.915 549 H ARG 73 HN ARG 73 13.062 1.468 -7.008 550 HA ARG 73 HA ARG 73 10.749 0.284 -5.845 551 HB2 ARG 73 HB2 ARG 73 10.754 -1.139 -7.928 552 HB3 ARG 73 HB1 ARG 73 10.701 0.597 -8.190 553 HG2 ARG 73 HG2 ARG 73 12.381 0.320 -9.606 554 HG3 ARG 73 HG1 ARG 73 13.403 -0.005 -8.206 555 HD2 ARG 73 HD2 ARG 73 13.730 -1.817 -9.676 556 HD3 ARG 73 HD1 ARG 73 12.672 -2.417 -8.404 557 HE ARG 73 HE ARG 73 11.197 -1.425 -10.635 558 HH11 ARG 73 HH11 ARG 73 13.047 -4.172 -9.431 559 HH12 ARG 73 HH12 ARG 73 12.206 -5.345 -10.525 560 HH21 ARG 73 HH21 ARG 73 10.099 -2.886 -12.008 561 HH22 ARG 73 HH22 ARG 73 10.565 -4.627 -11.964 562 H GLU 74 HN GLU 74 14.085 -0.602 -5.900 563 HA GLU 74 HA GLU 74 13.585 -3.378 -5.246 564 HB2 GLU 74 HB2 GLU 74 16.121 -1.728 -5.333 565 HB3 GLU 74 HB1 GLU 74 16.084 -3.428 -4.887 566 HG2 GLU 74 HG2 GLU 74 15.262 -2.261 -7.538 567 HG3 GLU 74 HG1 GLU 74 16.742 -3.156 -7.198 568 H LEU 75 HN LEU 75 14.315 -0.370 -3.655 569 HA LEU 75 HA LEU 75 14.891 -1.459 -1.094 570 HB2 LEU 75 HB2 LEU 75 15.652 0.756 -1.745 571 HB3 LEU 75 HB1 LEU 75 13.997 1.305 -1.914 572 HG LEU 75 HG LEU 75 13.689 0.905 0.545 573 HD11 LEU 75 HD11 LEU 75 15.730 0.731 1.919 574 HD12 LEU 75 HD12 LEU 75 16.678 0.502 0.449 575 HD13 LEU 75 HD13 LEU 75 15.467 -0.691 0.911 576 HD21 LEU 75 HD21 LEU 75 14.833 2.941 1.209 577 HD22 LEU 75 HD22 LEU 75 14.140 3.124 -0.403 578 HD23 LEU 75 HD23 LEU 75 15.871 2.842 -0.216 579 H SER 76 HN SER 76 11.968 -0.238 -2.646 580 HA SER 76 HA SER 76 10.334 -0.415 -0.324 581 HB2 SER 76 HB2 SER 76 8.497 -0.480 -2.247 582 HB3 SER 76 HB1 SER 76 9.366 1.001 -1.853 583 HG SER 76 HG SER 76 10.578 0.797 -3.641 584 H LYS 77 HN LYS 77 11.477 -2.697 -2.616 585 HA LYS 77 HA LYS 77 9.423 -4.640 -2.373 586 HB2 LYS 77 HB2 LYS 77 11.330 -4.417 -4.142 587 HB3 LYS 77 HB1 LYS 77 12.265 -5.364 -2.992 588 HG2 LYS 77 HG2 LYS 77 10.424 -7.069 -3.049 589 HG3 LYS 77 HG1 LYS 77 9.732 -6.160 -4.396 590 HD2 LYS 77 HD2 LYS 77 11.814 -6.457 -5.654 591 HD3 LYS 77 HD1 LYS 77 12.488 -7.382 -4.308 592 HE2 LYS 77 HE2 LYS 77 10.644 -9.003 -4.550 593 HE3 LYS 77 HE1 LYS 77 10.071 -8.108 -5.956 594 HZ1 LYS 77 HZ1 LYS 77 12.741 -9.380 -5.724 595 HZ2 LYS 77 HZ2 LYS 77 12.126 -8.590 -7.085 596 HZ3 LYS 77 HZ3 LYS 77 11.425 -10.033 -6.560 597 H THR 78 HN THR 78 11.499 -3.531 -0.071 598 HA THR 78 HA THR 78 11.831 -6.112 1.242 599 HB THR 78 HB THR 78 13.562 -4.043 1.082 600 HG1 THR 78 HG1 THR 78 13.674 -5.440 3.489 601 HG21 THR 78 HG21 THR 78 12.163 -2.558 2.459 602 HG22 THR 78 HG22 THR 78 13.714 -2.904 3.230 603 HG23 THR 78 HG23 THR 78 12.250 -3.722 3.780 604 H PHE 79 HN PHE 79 9.568 -3.724 1.015 605 HA PHE 79 HA PHE 79 8.566 -4.145 3.756 606 HB2 PHE 79 HB2 PHE 79 7.917 -1.943 1.784 607 HB3 PHE 79 HB1 PHE 79 7.218 -2.103 3.392 608 HD1 PHE 79 HD2 PHE 79 9.195 -2.448 5.257 609 HD2 PHE 79 HD1 PHE 79 9.507 -0.323 1.588 610 HE1 PHE 79 HE2 PHE 79 11.040 -1.113 6.194 611 HE2 PHE 79 HE1 PHE 79 11.351 1.015 2.514 612 HZ PHE 79 HZ PHE 79 12.119 0.623 4.819 613 H ILE 80 HN ILE 80 8.269 -5.691 1.073 614 HA ILE 80 HA ILE 80 5.451 -5.530 0.523 615 HB ILE 80 HB ILE 80 6.954 -6.125 -1.290 616 HG12 ILE 80 HG12 ILE 80 5.894 -8.466 -1.848 617 HG13 ILE 80 HG11 ILE 80 4.939 -8.152 -0.403 618 HG21 ILE 80 HG21 ILE 80 8.717 -7.217 -0.060 619 HG22 ILE 80 HG22 ILE 80 8.134 -8.279 -1.341 620 HG23 ILE 80 HG23 ILE 80 7.648 -8.563 0.331 621 HD11 ILE 80 HD11 ILE 80 3.728 -7.449 -2.350 622 HD12 ILE 80 HD12 ILE 80 5.079 -6.440 -2.869 623 HD13 ILE 80 HD13 ILE 80 4.185 -6.035 -1.404 624 H ILE 81 HN ILE 81 3.913 -6.438 1.713 625 HA ILE 81 HA ILE 81 4.646 -8.733 3.406 626 HB ILE 81 HB ILE 81 2.731 -8.227 4.810 627 HG12 ILE 81 HG12 ILE 81 1.755 -6.856 2.586 628 HG13 ILE 81 HG11 ILE 81 1.005 -6.946 4.172 629 HG21 ILE 81 HG21 ILE 81 4.464 -5.808 4.335 630 HG22 ILE 81 HG22 ILE 81 4.853 -7.191 5.359 631 HG23 ILE 81 HG23 ILE 81 3.517 -6.123 5.791 632 HD11 ILE 81 HD11 ILE 81 2.054 -4.876 4.823 633 HD12 ILE 81 HD12 ILE 81 1.165 -4.660 3.318 634 HD13 ILE 81 HD13 ILE 81 2.922 -4.800 3.290 635 H GLY 82 HN GLY 82 2.894 -7.862 0.634 636 HA2 GLY 82 HA2 GLY 82 2.184 -10.373 -0.119 637 HA3 GLY 82 HA1 GLY 82 0.852 -9.865 0.905 638 H GLU 83 HN GLU 83 -0.321 -10.259 -1.125 639 HA GLU 83 HA GLU 83 -0.360 -7.828 -2.779 640 HB2 GLU 83 HB2 GLU 83 -0.910 -10.612 -3.812 641 HB3 GLU 83 HB1 GLU 83 -0.853 -9.130 -4.750 642 HG2 GLU 83 HG2 GLU 83 1.555 -8.950 -4.252 643 HG3 GLU 83 HG1 GLU 83 1.460 -10.490 -3.395 644 H LEU 84 HN LEU 84 -2.490 -7.941 -4.162 645 HA LEU 84 HA LEU 84 -4.667 -8.139 -2.252 646 HB2 LEU 84 HB2 LEU 84 -4.123 -6.649 -4.704 647 HB3 LEU 84 HB1 LEU 84 -5.731 -7.342 -4.696 648 HG LEU 84 HG LEU 84 -5.762 -5.052 -3.869 649 HD11 LEU 84 HD11 LEU 84 -6.976 -5.415 -1.810 650 HD12 LEU 84 HD12 LEU 84 -6.274 -7.023 -1.649 651 HD13 LEU 84 HD13 LEU 84 -7.373 -6.672 -2.982 652 HD21 LEU 84 HD21 LEU 84 -3.475 -4.987 -2.985 653 HD22 LEU 84 HD22 LEU 84 -3.969 -6.035 -1.655 654 HD23 LEU 84 HD23 LEU 84 -4.660 -4.419 -1.809 655 H HIS 85 HN HIS 85 -6.613 -9.287 -2.701 656 HA HIS 85 HA HIS 85 -6.293 -11.902 -3.632 657 HB2 HIS 85 HB2 HIS 85 -8.303 -10.437 -2.352 658 HB3 HIS 85 HB1 HIS 85 -9.041 -10.977 -3.852 659 HD1 HIS 85 HD1 HIS 85 -10.005 -13.291 -3.818 660 HD2 HIS 85 HD2 HIS 85 -7.160 -12.697 -0.828 661 HE1 HIS 85 HE1 HIS 85 -10.008 -15.390 -2.439 662 HE2 HIS 85 HE2 HIS 85 -8.407 -14.943 -0.548 663 HA PRO 86 HA PRO 86 -6.530 -11.689 -8.047 664 HB2 PRO 86 HB2 PRO 86 -8.180 -13.891 -8.486 665 HB3 PRO 86 HB1 PRO 86 -6.421 -13.947 -8.316 666 HG2 PRO 86 HG2 PRO 86 -8.526 -14.514 -6.294 667 HG3 PRO 86 HG1 PRO 86 -6.955 -15.304 -6.540 668 HD2 PRO 86 HD2 PRO 86 -7.321 -13.566 -4.542 669 HD3 PRO 86 HD1 PRO 86 -5.788 -13.634 -5.435 670 H ASP 87 HN ASP 87 -9.484 -12.179 -6.207 671 HA ASP 87 HA ASP 87 -11.314 -11.442 -8.237 672 HB2 ASP 87 HB2 ASP 87 -11.723 -11.141 -5.258 673 HB3 ASP 87 HB1 ASP 87 -12.961 -11.364 -6.489 674 H ASP 88 HN ASP 88 -9.336 -9.662 -6.034 675 HA ASP 88 HA ASP 88 -10.694 -7.142 -6.672 676 HB2 ASP 88 HB2 ASP 88 -8.560 -7.786 -4.613 677 HB3 ASP 88 HB1 ASP 88 -9.243 -6.185 -4.879 678 H ARG 89 HN ARG 89 -8.855 -8.826 -8.393 679 HA ARG 89 HA ARG 89 -7.024 -6.649 -9.130 680 HB2 ARG 89 HB2 ARG 89 -5.936 -8.646 -7.923 681 HB3 ARG 89 HB1 ARG 89 -6.264 -9.548 -9.394 682 HG2 ARG 89 HG2 ARG 89 -4.949 -7.805 -10.638 683 HG3 ARG 89 HG1 ARG 89 -4.492 -7.134 -9.073 684 HD2 ARG 89 HD2 ARG 89 -3.875 -9.886 -10.136 685 HD3 ARG 89 HD1 ARG 89 -2.733 -8.584 -9.815 686 HE ARG 89 HE ARG 89 -4.245 -9.478 -7.517 687 HH11 ARG 89 HH11 ARG 89 -1.268 -9.744 -9.397 688 HH12 ARG 89 HH12 ARG 89 -0.374 -10.559 -8.055 689 HH21 ARG 89 HH21 ARG 89 -3.114 -10.504 -5.797 690 HH22 ARG 89 HH22 ARG 89 -1.380 -10.974 -6.072 691 H SER 90 HN SER 90 -8.648 -9.628 -10.182 692 HA SER 90 HA SER 90 -8.882 -8.443 -12.864 693 HB2 SER 90 HB2 SER 90 -8.466 -11.387 -12.319 694 HB3 SER 90 HB1 SER 90 -8.450 -10.573 -13.884 695 HG SER 90 HG SER 90 -6.622 -9.339 -12.987 696 H LYS 91 HN LYS 91 -10.879 -7.925 -11.267 697 HA LYS 91 HA LYS 91 -13.102 -9.229 -12.425 698 HB2 LYS 91 HB2 LYS 91 -12.373 -10.947 -10.704 699 HB3 LYS 91 HB1 LYS 91 -12.767 -9.762 -9.467 700 HG2 LYS 91 HG2 LYS 91 -15.098 -9.707 -10.398 701 HG3 LYS 91 HG1 LYS 91 -14.646 -11.082 -11.405 702 HD2 LYS 91 HD2 LYS 91 -14.277 -11.132 -8.427 703 HD3 LYS 91 HD1 LYS 91 -15.820 -11.553 -9.171 704 HE2 LYS 91 HE2 LYS 91 -14.651 -13.264 -10.526 705 HE3 LYS 91 HE1 LYS 91 -13.159 -12.883 -9.667 706 HZ1 LYS 91 HZ1 LYS 91 -13.919 -13.826 -7.737 707 HZ2 LYS 91 HZ2 LYS 91 -14.648 -14.838 -8.885 708 HZ3 LYS 91 HZ3 LYS 91 -15.555 -13.623 -8.135 709 H LEU 92 HN LEU 92 -12.521 -7.872 -9.187 710 HA LEU 92 HA LEU 92 -13.261 -6.022 -8.125 711 HB2 LEU 92 HB2 LEU 92 -12.739 -5.157 -10.833 712 HB3 LEU 92 HB1 LEU 92 -14.047 -4.226 -10.128 713 HG LEU 92 HG LEU 92 -11.910 -3.109 -9.802 714 HD11 LEU 92 HD11 LEU 92 -12.011 -2.789 -7.384 715 HD12 LEU 92 HD12 LEU 92 -13.023 -4.225 -7.233 716 HD13 LEU 92 HD13 LEU 92 -13.620 -2.810 -8.103 717 HD21 LEU 92 HD21 LEU 92 -11.099 -5.566 -8.254 718 HD22 LEU 92 HD22 LEU 92 -10.163 -4.081 -8.409 719 HD23 LEU 92 HD23 LEU 92 -10.467 -5.082 -9.826 720 H SER 93 HN SER 93 -15.193 -8.067 -9.427 721 HA SER 93 HA SER 93 -17.642 -6.500 -9.469 722 HB2 SER 93 HB2 SER 93 -17.446 -9.487 -9.790 723 HB3 SER 93 HB1 SER 93 -18.679 -8.397 -10.417 724 HG SER 93 HG SER 93 -16.702 -7.446 -11.572 725 H LYS 94 HN LYS 94 -17.308 -5.945 -7.182 726 HA LYS 94 HA LYS 94 -18.538 -7.965 -5.448 727 HB2 LYS 94 HB2 LYS 94 -16.057 -6.344 -4.879 728 HB3 LYS 94 HB1 LYS 94 -17.042 -7.012 -3.584 729 HG2 LYS 94 HG2 LYS 94 -16.537 -9.217 -4.173 730 HG3 LYS 94 HG1 LYS 94 -15.970 -8.750 -5.778 731 HD2 LYS 94 HD2 LYS 94 -14.074 -9.307 -4.398 732 HD3 LYS 94 HD1 LYS 94 -14.067 -7.573 -4.720 733 HE2 LYS 94 HE2 LYS 94 -15.036 -7.155 -2.521 734 HE3 LYS 94 HE1 LYS 94 -15.077 -8.889 -2.200 735 HZ1 LYS 94 HZ1 LYS 94 -13.145 -7.672 -1.218 736 HZ2 LYS 94 HZ2 LYS 94 -12.580 -7.399 -2.801 737 HZ3 LYS 94 HZ3 LYS 94 -12.724 -8.978 -2.211 738 HA PRO 95 HA PRO 95 -21.254 -4.630 -4.428 739 HB2 PRO 95 HB2 PRO 95 -22.075 -5.418 -1.955 740 HB3 PRO 95 HB1 PRO 95 -22.636 -6.187 -3.445 741 HG2 PRO 95 HG2 PRO 95 -20.529 -7.103 -1.543 742 HG3 PRO 95 HG1 PRO 95 -21.776 -8.047 -2.383 743 HD2 PRO 95 HD2 PRO 95 -19.212 -7.972 -3.222 744 HD3 PRO 95 HD1 PRO 95 -20.583 -8.151 -4.336 745 H MET 96 HN MET 96 -20.714 -2.637 -3.825 746 HA MET 96 HA MET 96 -18.699 -2.275 -1.744 747 HB2 MET 96 HB2 MET 96 -18.443 -1.127 -3.953 748 HB3 MET 96 HB1 MET 96 -19.896 -0.203 -3.593 749 HG2 MET 96 HG2 MET 96 -18.793 0.734 -1.613 750 HG3 MET 96 HG1 MET 96 -17.325 -0.149 -2.027 751 HE1 MET 96 HE1 MET 96 -19.929 2.417 -3.133 752 HE2 MET 96 HE2 MET 96 -19.718 1.698 -4.729 753 HE3 MET 96 HE3 MET 96 -19.144 3.336 -4.417 754 H GLU 97 HN GLU 97 -21.648 -0.497 -2.660 755 HA GLU 97 HA GLU 97 -23.362 0.390 -1.472 756 HB2 GLU 97 HB2 GLU 97 -23.157 -2.007 -0.369 757 HB3 GLU 97 HB1 GLU 97 -22.622 -1.075 1.021 758 HG2 GLU 97 HG2 GLU 97 -24.942 -1.428 1.273 759 HG3 GLU 97 HG1 GLU 97 -24.730 0.262 0.818 760 H THR 98 HN THR 98 -23.421 2.405 -0.716 761 HA THR 98 HA THR 98 -22.074 3.271 1.621 762 HB THR 98 HB THR 98 -20.118 3.152 0.078 763 HG1 THR 98 HG1 THR 98 -19.300 4.989 0.889 764 HG21 THR 98 HG21 THR 98 -21.545 5.353 -1.427 765 HG22 THR 98 HG22 THR 98 -21.280 3.711 -2.013 766 HG23 THR 98 HG23 THR 98 -19.906 4.778 -1.735 767 H LEU 99 HN LEU 99 -22.052 5.838 1.588 768 HA LEU 99 HA LEU 99 -23.312 7.716 1.717 769 HB2 LEU 99 HB2 LEU 99 -24.093 6.787 -1.042 770 HB3 LEU 99 HB1 LEU 99 -24.588 8.331 -0.377 771 HG LEU 99 HG LEU 99 -21.685 7.562 -0.614 772 HD11 LEU 99 HD11 LEU 99 -22.664 7.410 -2.838 773 HD12 LEU 99 HD12 LEU 99 -21.623 8.827 -2.704 774 HD13 LEU 99 HD13 LEU 99 -23.378 9.014 -2.648 775 HD21 LEU 99 HD21 LEU 99 -22.232 9.412 0.893 776 HD22 LEU 99 HD22 LEU 99 -23.090 10.226 -0.415 777 HD23 LEU 99 HD23 LEU 99 -21.348 9.978 -0.525 778 H ILE 100 HN ILE 100 -24.389 5.913 3.250 779 HA ILE 100 HA ILE 100 -27.271 5.920 2.636 780 HB ILE 100 HB ILE 100 -27.420 4.036 4.307 781 HG12 ILE 100 HG12 ILE 100 -24.413 4.008 3.939 782 HG13 ILE 100 HG11 ILE 100 -25.260 4.424 5.425 783 HG21 ILE 100 HG21 ILE 100 -25.772 3.539 1.829 784 HG22 ILE 100 HG22 ILE 100 -27.530 3.645 1.903 785 HG23 ILE 100 HG23 ILE 100 -26.691 2.327 2.720 786 HD11 ILE 100 HD11 ILE 100 -24.389 2.172 5.535 787 HD12 ILE 100 HD12 ILE 100 -25.262 1.737 4.066 788 HD13 ILE 100 HD13 ILE 100 -26.150 2.142 5.534 789 H THR 101 HN THR 101 -24.921 7.264 4.650 790 HA THR 101 HA THR 101 -27.015 8.078 6.547 791 HB THR 101 HB THR 101 -24.169 7.747 7.447 792 HG1 THR 101 HG1 THR 101 -26.204 5.750 7.289 793 HG21 THR 101 HG21 THR 101 -25.236 7.469 9.638 794 HG22 THR 101 HG22 THR 101 -26.824 7.610 8.886 795 HG23 THR 101 HG23 THR 101 -25.725 8.989 8.883 796 H THR 102 HN THR 102 -27.234 10.211 6.758 797 HA THR 102 HA THR 102 -25.434 11.996 5.392 798 HB THR 102 HB THR 102 -27.184 13.569 6.843 799 HG1 THR 102 HG1 THR 102 -28.816 12.355 7.405 800 HG21 THR 102 HG21 THR 102 -26.674 13.773 4.447 801 HG22 THR 102 HG22 THR 102 -28.413 13.796 4.735 802 HG23 THR 102 HG23 THR 102 -27.638 12.335 4.121 803 H VAL 103 HN VAL 103 -23.519 12.281 6.390 804 HA VAL 103 HA VAL 103 -23.470 12.728 9.292 805 HB VAL 103 HB VAL 103 -21.043 12.401 9.147 806 HG11 VAL 103 HG11 VAL 103 -22.509 10.201 7.696 807 HG12 VAL 103 HG12 VAL 103 -22.558 10.457 9.441 808 HG13 VAL 103 HG13 VAL 103 -21.036 10.041 8.650 809 HG21 VAL 103 HG21 VAL 103 -19.968 11.749 7.071 810 HG22 VAL 103 HG22 VAL 103 -20.726 13.331 6.884 811 HG23 VAL 103 HG23 VAL 103 -21.498 11.896 6.205 812 H ASP 104 HN ASP 104 -23.820 14.517 6.622 813 HA ASP 104 HA ASP 104 -22.075 16.708 7.492 814 HB2 ASP 104 HB2 ASP 104 -22.559 17.683 5.262 815 HB3 ASP 104 HB1 ASP 104 -21.817 16.092 5.154 816 HHB HEM 400 HB HEM 400 12.025 5.589 -2.406 817 HHC HEM 400 HC HEM 400 5.722 4.998 -2.369 818 HHD HEM 400 HD HEM 400 5.159 10.860 -4.675 819 HMA HEM 400 HMA1 HEM 400 14.151 6.351 -3.703 820 HMAA HEM 400 HMA2 HEM 400 14.117 6.929 -2.037 821 HMAB HEM 400 HMA3 HEM 400 14.945 7.867 -3.282 822 HAA HEM 400 HAA1 HEM 400 14.758 9.693 -3.976 823 HAAA HEM 400 HAA2 HEM 400 13.693 11.077 -3.809 824 HBA HEM 400 HBA1 HEM 400 13.787 11.386 -6.037 825 HBAA HEM 400 HBA2 HEM 400 13.031 9.811 -6.271 826 HMB HEM 400 HMB1 HEM 400 10.773 2.654 -2.271 827 HMBA HEM 400 HMB2 HEM 400 10.258 2.943 -0.606 828 HMBB HEM 400 HMB3 HEM 400 11.572 3.886 -1.312 829 HAB HEM 400 HAB HEM 400 6.954 2.595 -2.274 830 HBB HEM 400 HBB1 HEM 400 8.112 3.141 0.576 831 HBBA HEM 400 HBB2 HEM 400 6.926 1.740 0.009 832 HMC HEM 400 HMC1 HEM 400 2.416 6.773 -3.079 833 HMCA HEM 400 HMC2 HEM 400 3.473 5.882 -1.977 834 HMCB HEM 400 HMC3 HEM 400 3.384 5.442 -3.682 835 HAC HEM 400 HAC HEM 400 3.055 9.681 -5.005 836 HBC HEM 400 HBC1 HEM 400 2.003 8.674 -2.235 837 HBCA HEM 400 HBC2 HEM 400 1.099 9.744 -3.548 838 HMD HEM 400 HMD1 HEM 400 6.708 13.996 -4.914 839 HMDA HEM 400 HMD2 HEM 400 5.552 12.722 -5.302 840 HMDB HEM 400 HMD3 HEM 400 6.680 13.306 -6.524 841 HAD HEM 400 HAD1 HEM 400 8.979 14.231 -5.588 842 HADA HEM 400 HAD2 HEM 400 10.305 13.685 -4.578 843 HBD HEM 400 HBD1 HEM 400 9.930 13.312 -7.538 844 HBDA HEM 400 HBD2 HEM 400 11.009 12.262 -6.621 845 HHA HEM 400 HA HEM 400 11.468 11.449 -4.733 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 20.991 -14.073 16.632 2 H2 MET 1 HT2 MET 1 21.847 -13.455 17.951 3 H3 MET 1 HT3 MET 1 21.034 -12.407 16.907 4 HA MET 1 HA MET 1 19.668 -14.485 18.491 5 HB2 MET 1 HB2 MET 1 20.807 -12.892 19.993 6 HB3 MET 1 HB1 MET 1 20.019 -11.560 19.168 7 HG2 MET 1 HG2 MET 1 17.828 -12.505 19.855 8 HG3 MET 1 HG1 MET 1 18.700 -13.706 20.808 9 HE1 MET 1 HE1 MET 1 19.962 -13.274 22.960 10 HE2 MET 1 HE2 MET 1 20.318 -11.686 23.642 11 HE3 MET 1 HE3 MET 1 21.095 -12.195 22.143 12 H ALA 2 HN ALA 2 18.849 -11.098 17.823 13 HA ALA 2 HA ALA 2 16.366 -12.016 16.604 14 HB1 ALA 2 HB1 ALA 2 16.283 -10.307 18.376 15 HB2 ALA 2 HB2 ALA 2 15.597 -9.733 16.857 16 HB3 ALA 2 HB3 ALA 2 17.210 -9.217 17.345 17 H ALA 3 HN ALA 3 17.271 -12.769 14.636 18 HA ALA 3 HA ALA 3 17.578 -10.640 12.681 19 HB1 ALA 3 HB1 ALA 3 19.636 -12.833 12.870 20 HB2 ALA 3 HB2 ALA 3 19.875 -11.194 13.467 21 HB3 ALA 3 HB3 ALA 3 19.620 -11.475 11.746 22 H GLN 4 HN GLN 4 15.720 -11.222 11.651 23 HA GLN 4 HA GLN 4 15.785 -13.839 10.319 24 HB2 GLN 4 HB2 GLN 4 13.253 -13.848 10.466 25 HB3 GLN 4 HB1 GLN 4 14.113 -14.168 11.961 26 HG2 GLN 4 HG2 GLN 4 13.634 -12.011 12.805 27 HG3 GLN 4 HG1 GLN 4 13.060 -11.454 11.234 28 HE21 GLN 4 HE21 GLN 4 11.085 -10.826 12.173 29 HE22 GLN 4 HE22 GLN 4 9.876 -11.995 12.588 30 H SER 5 HN SER 5 15.618 -13.715 8.191 31 HA SER 5 HA SER 5 14.463 -11.280 7.026 32 HB2 SER 5 HB2 SER 5 16.904 -12.723 5.972 33 HB3 SER 5 HB1 SER 5 16.202 -11.237 5.337 34 HG SER 5 HG SER 5 16.760 -10.197 7.264 35 H ASP 6 HN ASP 6 12.610 -12.855 7.072 36 HA ASP 6 HA ASP 6 12.745 -14.749 4.834 37 HB2 ASP 6 HB2 ASP 6 11.893 -15.400 7.208 38 HB3 ASP 6 HB1 ASP 6 10.423 -14.555 6.730 39 H LYS 7 HN LYS 7 11.352 -14.598 3.104 40 HA LYS 7 HA LYS 7 9.810 -12.096 2.961 41 HB2 LYS 7 HB2 LYS 7 11.248 -13.564 0.745 42 HB3 LYS 7 HB1 LYS 7 10.211 -12.165 0.507 43 HG2 LYS 7 HG2 LYS 7 12.706 -12.173 2.193 44 HG3 LYS 7 HG1 LYS 7 12.626 -11.626 0.516 45 HD2 LYS 7 HD2 LYS 7 10.992 -9.913 1.157 46 HD3 LYS 7 HD1 LYS 7 11.070 -10.462 2.831 47 HE2 LYS 7 HE2 LYS 7 13.409 -9.842 2.962 48 HE3 LYS 7 HE1 LYS 7 13.410 -9.397 1.256 49 HZ1 LYS 7 HZ1 LYS 7 11.758 -8.086 3.344 50 HZ2 LYS 7 HZ2 LYS 7 11.876 -7.619 1.722 51 HZ3 LYS 7 HZ3 LYS 7 13.218 -7.477 2.747 52 H ASP 8 HN ASP 8 7.786 -12.691 3.378 53 HA ASP 8 HA ASP 8 6.644 -14.895 1.786 54 HB2 ASP 8 HB2 ASP 8 6.751 -14.949 4.455 55 HB3 ASP 8 HB1 ASP 8 5.301 -13.963 4.289 56 H VAL 9 HN VAL 9 4.185 -14.552 1.494 57 HA VAL 9 HA VAL 9 3.463 -11.733 1.302 58 HB VAL 9 HB VAL 9 4.447 -11.981 -0.842 59 HG11 VAL 9 HG11 VAL 9 2.886 -14.542 -1.137 60 HG12 VAL 9 HG12 VAL 9 4.631 -14.384 -0.954 61 HG13 VAL 9 HG13 VAL 9 3.842 -13.783 -2.409 62 HG21 VAL 9 HG21 VAL 9 2.361 -10.801 -0.933 63 HG22 VAL 9 HG22 VAL 9 1.458 -12.312 -1.058 64 HG23 VAL 9 HG23 VAL 9 2.506 -11.797 -2.383 65 H LYS 10 HN LYS 10 1.530 -11.562 2.185 66 HA LYS 10 HA LYS 10 -0.314 -13.839 2.002 67 HB2 LYS 10 HB2 LYS 10 0.079 -13.207 4.277 68 HB3 LYS 10 HB1 LYS 10 -0.182 -11.507 3.913 69 HG2 LYS 10 HG2 LYS 10 -2.493 -11.786 3.705 70 HG3 LYS 10 HG1 LYS 10 -2.356 -13.536 3.548 71 HD2 LYS 10 HD2 LYS 10 -1.344 -12.317 6.048 72 HD3 LYS 10 HD1 LYS 10 -3.092 -12.348 5.818 73 HE2 LYS 10 HE2 LYS 10 -1.254 -14.735 5.664 74 HE3 LYS 10 HE1 LYS 10 -2.284 -14.322 7.032 75 HZ1 LYS 10 HZ1 LYS 10 -3.114 -15.174 4.321 76 HZ2 LYS 10 HZ2 LYS 10 -4.187 -14.450 5.405 77 HZ3 LYS 10 HZ3 LYS 10 -3.447 -15.921 5.802 78 H TYR 11 HN TYR 11 -2.147 -13.694 0.864 79 HA TYR 11 HA TYR 11 -2.607 -11.337 -0.724 80 HB2 TYR 11 HB2 TYR 11 -3.752 -14.088 -0.606 81 HB3 TYR 11 HB1 TYR 11 -4.723 -12.821 -1.344 82 HD1 TYR 11 HD2 TYR 11 -1.034 -12.892 -1.549 83 HD2 TYR 11 HD1 TYR 11 -4.695 -13.742 -3.547 84 HE1 TYR 11 HE2 TYR 11 0.189 -13.180 -3.665 85 HE2 TYR 11 HE1 TYR 11 -3.480 -14.029 -5.665 86 HH TYR 11 HH TYR 11 0.061 -13.778 -5.804 87 H TYR 12 HN TYR 12 -3.437 -9.644 0.311 88 HA TYR 12 HA TYR 12 -5.499 -10.023 2.340 89 HB2 TYR 12 HB2 TYR 12 -4.046 -7.539 1.405 90 HB3 TYR 12 HB1 TYR 12 -5.241 -7.572 2.690 91 HD1 TYR 12 HD2 TYR 12 -4.690 -9.270 4.661 92 HD2 TYR 12 HD1 TYR 12 -1.812 -7.661 1.968 93 HE1 TYR 12 HE2 TYR 12 -2.911 -9.705 6.306 94 HE2 TYR 12 HE1 TYR 12 -0.032 -8.090 3.606 95 HH TYR 12 HH TYR 12 -0.508 -10.010 6.402 96 H THR 13 HN THR 13 -7.418 -8.612 2.252 97 HA THR 13 HA THR 13 -8.418 -8.472 -0.499 98 HB THR 13 HB THR 13 -10.433 -7.924 1.507 99 HG1 THR 13 HG1 THR 13 -8.822 -9.431 2.637 100 HG21 THR 13 HG21 THR 13 -11.562 -9.779 0.350 101 HG22 THR 13 HG22 THR 13 -10.066 -10.144 -0.507 102 HG23 THR 13 HG23 THR 13 -10.891 -8.612 -0.787 103 H LEU 14 HN LEU 14 -9.551 -6.625 -1.237 104 HA LEU 14 HA LEU 14 -8.303 -4.195 -0.781 105 HB2 LEU 14 HB2 LEU 14 -9.615 -4.838 -2.787 106 HB3 LEU 14 HB1 LEU 14 -11.084 -4.629 -1.858 107 HG LEU 14 HG LEU 14 -10.471 -2.226 -1.537 108 HD11 LEU 14 HD11 LEU 14 -8.811 -1.340 -3.226 109 HD12 LEU 14 HD12 LEU 14 -8.259 -3.004 -3.424 110 HD13 LEU 14 HD13 LEU 14 -8.130 -2.212 -1.854 111 HD21 LEU 14 HD21 LEU 14 -11.046 -1.570 -3.854 112 HD22 LEU 14 HD22 LEU 14 -12.082 -2.846 -3.216 113 HD23 LEU 14 HD23 LEU 14 -10.797 -3.242 -4.356 114 H GLU 15 HN GLU 15 -11.340 -5.412 0.591 115 HA GLU 15 HA GLU 15 -12.012 -2.968 1.874 116 HB2 GLU 15 HB2 GLU 15 -13.726 -4.270 3.028 117 HB3 GLU 15 HB1 GLU 15 -13.699 -4.623 1.307 118 HG2 GLU 15 HG2 GLU 15 -12.091 -6.380 3.055 119 HG3 GLU 15 HG1 GLU 15 -13.844 -6.508 3.185 120 H GLU 16 HN GLU 16 -9.847 -5.518 2.804 121 HA GLU 16 HA GLU 16 -10.035 -4.759 5.607 122 HB2 GLU 16 HB2 GLU 16 -8.806 -6.660 6.151 123 HB3 GLU 16 HB1 GLU 16 -9.786 -7.172 4.786 124 HG2 GLU 16 HG2 GLU 16 -7.874 -6.907 3.303 125 HG3 GLU 16 HG1 GLU 16 -6.890 -6.359 4.660 126 H ILE 17 HN ILE 17 -7.800 -4.390 2.908 127 HA ILE 17 HA ILE 17 -5.664 -3.382 4.518 128 HB ILE 17 HB ILE 17 -4.703 -2.569 2.348 129 HG12 ILE 17 HG12 ILE 17 -7.072 -3.999 1.129 130 HG13 ILE 17 HG11 ILE 17 -6.888 -2.249 1.193 131 HG21 ILE 17 HG21 ILE 17 -4.211 -4.812 1.504 132 HG22 ILE 17 HG22 ILE 17 -5.531 -5.464 2.474 133 HG23 ILE 17 HG23 ILE 17 -4.129 -4.743 3.264 134 HD11 ILE 17 HD11 ILE 17 -6.241 -2.995 -0.970 135 HD12 ILE 17 HD12 ILE 17 -5.157 -4.203 -0.287 136 HD13 ILE 17 HD13 ILE 17 -4.790 -2.491 -0.105 137 H LYS 18 HN LYS 18 -8.265 -1.873 2.659 138 HA LYS 18 HA LYS 18 -7.320 0.777 3.013 139 HB2 LYS 18 HB2 LYS 18 -9.495 1.496 2.221 140 HB3 LYS 18 HB1 LYS 18 -8.909 0.165 1.234 141 HG2 LYS 18 HG2 LYS 18 -10.608 -1.176 1.811 142 HG3 LYS 18 HG1 LYS 18 -10.589 -0.646 3.495 143 HD2 LYS 18 HD2 LYS 18 -12.681 -0.007 2.433 144 HD3 LYS 18 HD1 LYS 18 -11.736 1.428 2.836 145 HE2 LYS 18 HE2 LYS 18 -10.918 1.468 0.484 146 HE3 LYS 18 HE1 LYS 18 -12.015 0.135 0.125 147 HZ1 LYS 18 HZ1 LYS 18 -12.954 2.283 -0.480 148 HZ2 LYS 18 HZ2 LYS 18 -12.835 2.810 1.122 149 HZ3 LYS 18 HZ3 LYS 18 -13.872 1.538 0.726 150 H LYS 19 HN LYS 19 -8.936 -1.410 5.093 151 HA LYS 19 HA LYS 19 -9.943 0.701 6.827 152 HB2 LYS 19 HB2 LYS 19 -10.906 -1.781 6.274 153 HB3 LYS 19 HB1 LYS 19 -10.032 -2.098 7.767 154 HG2 LYS 19 HG2 LYS 19 -12.303 -1.599 8.306 155 HG3 LYS 19 HG1 LYS 19 -11.294 -0.255 8.842 156 HD2 LYS 19 HD2 LYS 19 -13.143 0.772 7.834 157 HD3 LYS 19 HD1 LYS 19 -11.887 0.840 6.598 158 HE2 LYS 19 HE2 LYS 19 -13.804 0.141 5.453 159 HE3 LYS 19 HE1 LYS 19 -12.885 -1.341 5.719 160 HZ1 LYS 19 HZ1 LYS 19 -15.247 -1.606 6.211 161 HZ2 LYS 19 HZ2 LYS 19 -15.144 -0.411 7.400 162 HZ3 LYS 19 HZ3 LYS 19 -14.295 -1.861 7.584 163 H HIS 20 HN HIS 20 -7.031 -0.128 6.247 164 HA HIS 20 HA HIS 20 -6.187 -0.172 9.070 165 HB2 HIS 20 HB2 HIS 20 -5.168 -1.703 6.712 166 HB3 HIS 20 HB1 HIS 20 -4.013 -1.186 7.932 167 HD1 HIS 20 HD1 HIS 20 -6.826 -3.583 7.362 168 HD2 HIS 20 HD2 HIS 20 -4.218 -2.479 10.409 169 HE1 HIS 20 HE1 HIS 20 -7.059 -5.353 9.132 170 HE2 HIS 20 HE2 HIS 20 -5.301 -4.789 10.839 171 H ASN 21 HN ASN 21 -6.697 1.968 6.952 172 HA ASN 21 HA ASN 21 -4.135 3.066 6.302 173 HB2 ASN 21 HB2 ASN 21 -5.480 5.076 5.593 174 HB3 ASN 21 HB1 ASN 21 -5.919 3.568 4.805 175 HD21 ASN 21 HD21 ASN 21 -7.853 4.861 4.322 176 HD22 ASN 21 HD22 ASN 21 -9.145 4.863 5.467 177 H HIS 22 HN HIS 22 -3.879 2.686 8.901 178 HA HIS 22 HA HIS 22 -4.332 5.302 10.176 179 HB2 HIS 22 HB2 HIS 22 -3.831 2.563 11.350 180 HB3 HIS 22 HB1 HIS 22 -3.729 4.034 12.308 181 HD1 HIS 22 HD1 HIS 22 -6.025 5.468 12.413 182 HD2 HIS 22 HD2 HIS 22 -6.347 1.542 11.092 183 HE1 HIS 22 HE1 HIS 22 -8.461 4.886 12.621 184 HE2 HIS 22 HE2 HIS 22 -8.598 2.450 11.988 185 H SER 23 HN SER 23 -2.525 5.998 11.661 186 HA SER 23 HA SER 23 -0.118 6.182 10.181 187 HB2 SER 23 HB2 SER 23 0.216 6.962 12.924 188 HB3 SER 23 HB1 SER 23 0.100 7.983 11.488 189 HG SER 23 HG SER 23 -1.832 8.500 12.117 190 H LYS 24 HN LYS 24 -1.197 3.659 12.010 191 HA LYS 24 HA LYS 24 1.508 2.879 12.856 192 HB2 LYS 24 HB2 LYS 24 0.432 1.370 14.446 193 HB3 LYS 24 HB1 LYS 24 -0.110 3.025 14.682 194 HG2 LYS 24 HG2 LYS 24 -2.071 2.279 13.106 195 HG3 LYS 24 HG1 LYS 24 -1.607 0.668 13.653 196 HD2 LYS 24 HD2 LYS 24 -2.370 2.995 15.409 197 HD3 LYS 24 HD1 LYS 24 -3.368 1.588 15.058 198 HE2 LYS 24 HE2 LYS 24 -1.829 0.137 16.190 199 HE3 LYS 24 HE1 LYS 24 -0.675 1.452 16.398 200 HZ1 LYS 24 HZ1 LYS 24 -2.360 2.585 17.773 201 HZ2 LYS 24 HZ2 LYS 24 -1.843 1.119 18.433 202 HZ3 LYS 24 HZ3 LYS 24 -3.345 1.215 17.665 203 H SER 25 HN SER 25 -0.610 2.380 10.390 204 HA SER 25 HA SER 25 0.718 -0.043 9.576 205 HB2 SER 25 HB2 SER 25 -2.303 -0.116 9.807 206 HB3 SER 25 HB1 SER 25 -1.234 -1.434 9.334 207 HG SER 25 HG SER 25 -0.359 -0.692 11.666 208 H THR 26 HN THR 26 0.769 2.523 8.526 209 HA THR 26 HA THR 26 -1.108 3.012 6.483 210 HB THR 26 HB THR 26 1.760 3.929 6.419 211 HG1 THR 26 HG1 THR 26 -0.245 4.486 8.251 212 HG21 THR 26 HG21 THR 26 0.784 5.935 5.404 213 HG22 THR 26 HG22 THR 26 -0.824 5.224 5.534 214 HG23 THR 26 HG23 THR 26 0.381 4.492 4.472 215 H TRP 27 HN TRP 27 -1.494 1.366 5.114 216 HA TRP 27 HA TRP 27 0.756 0.133 3.712 217 HB2 TRP 27 HB2 TRP 27 -2.141 -0.659 4.026 218 HB3 TRP 27 HB1 TRP 27 -1.068 -1.445 2.874 219 HD1 TRP 27 HD1 TRP 27 1.335 -1.043 5.326 220 HE1 TRP 27 HE1 TRP 27 1.438 -2.951 7.041 221 HE3 TRP 27 HE3 TRP 27 -3.260 -3.108 4.485 222 HZ2 TRP 27 HZ2 TRP 27 -0.229 -5.063 7.929 223 HZ3 TRP 27 HZ3 TRP 27 -3.933 -5.071 5.807 224 HH2 TRP 27 HH2 TRP 27 -2.448 -6.028 7.492 225 H LEU 28 HN LEU 28 1.117 0.440 1.597 226 HA LEU 28 HA LEU 28 -0.828 2.075 0.103 227 HB2 LEU 28 HB2 LEU 28 1.967 2.489 0.638 228 HB3 LEU 28 HB1 LEU 28 1.716 2.322 -1.089 229 HG LEU 28 HG LEU 28 0.073 4.229 0.555 230 HD11 LEU 28 HD11 LEU 28 2.268 4.956 1.009 231 HD12 LEU 28 HD12 LEU 28 1.692 5.974 -0.309 232 HD13 LEU 28 HD13 LEU 28 2.798 4.643 -0.642 233 HD21 LEU 28 HD21 LEU 28 -0.135 5.364 -1.627 234 HD22 LEU 28 HD22 LEU 28 -0.790 3.727 -1.636 235 HD23 LEU 28 HD23 LEU 28 0.782 4.051 -2.368 236 H ILE 29 HN ILE 29 -1.319 1.467 -1.973 237 HA ILE 29 HA ILE 29 -0.416 -1.214 -2.728 238 HB ILE 29 HB ILE 29 -2.684 0.342 -3.963 239 HG12 ILE 29 HG12 ILE 29 -2.934 -1.798 -1.849 240 HG13 ILE 29 HG11 ILE 29 -2.939 -0.078 -1.470 241 HG21 ILE 29 HG21 ILE 29 -3.411 -1.825 -4.779 242 HG22 ILE 29 HG22 ILE 29 -2.068 -2.608 -3.949 243 HG23 ILE 29 HG23 ILE 29 -1.753 -1.510 -5.288 244 HD11 ILE 29 HD11 ILE 29 -4.907 -1.505 -3.241 245 HD12 ILE 29 HD12 ILE 29 -4.909 0.222 -2.876 246 HD13 ILE 29 HD13 ILE 29 -5.193 -0.952 -1.589 247 H LEU 30 HN LEU 30 1.132 -1.378 -4.143 248 HA LEU 30 HA LEU 30 1.250 0.524 -6.385 249 HB2 LEU 30 HB2 LEU 30 3.596 -0.531 -4.796 250 HB3 LEU 30 HB1 LEU 30 3.732 0.381 -6.287 251 HG LEU 30 HG LEU 30 2.436 1.471 -3.791 252 HD11 LEU 30 HD11 LEU 30 4.515 2.705 -3.433 253 HD12 LEU 30 HD12 LEU 30 5.257 1.851 -4.785 254 HD13 LEU 30 HD13 LEU 30 4.776 0.964 -3.339 255 HD21 LEU 30 HD21 LEU 30 3.411 2.771 -6.332 256 HD22 LEU 30 HD22 LEU 30 2.815 3.633 -4.913 257 HD23 LEU 30 HD23 LEU 30 1.733 2.578 -5.825 258 H HIS 31 HN HIS 31 0.920 -0.550 -8.194 259 HA HIS 31 HA HIS 31 0.926 -2.165 -9.800 260 HB2 HIS 31 HB2 HIS 31 3.327 -3.138 -8.237 261 HB3 HIS 31 HB1 HIS 31 2.788 -3.889 -9.733 262 HD1 HIS 31 HD1 HIS 31 2.791 -2.214 -11.878 263 HD2 HIS 31 HD2 HIS 31 5.020 -1.043 -8.572 264 HE1 HIS 31 HE1 HIS 31 4.402 -0.491 -12.730 265 HE2 HIS 31 HE2 HIS 31 5.884 0.036 -10.763 266 H HIS 32 HN HIS 32 -0.700 -2.390 -7.479 267 HA HIS 32 HA HIS 32 -2.265 -3.767 -6.609 268 HB2 HIS 32 HB2 HIS 32 -1.164 -5.667 -8.676 269 HB3 HIS 32 HB1 HIS 32 -2.466 -6.121 -7.583 270 HD1 HIS 32 HD1 HIS 32 -2.602 -5.748 -10.782 271 HD2 HIS 32 HD2 HIS 32 -4.054 -3.152 -7.879 272 HE1 HIS 32 HE1 HIS 32 -4.413 -4.411 -11.913 273 HE2 HIS 32 HE2 HIS 32 -5.352 -2.928 -10.105 274 H LYS 33 HN LYS 33 0.646 -3.685 -5.763 275 HA LYS 33 HA LYS 33 0.595 -6.067 -4.037 276 HB2 LYS 33 HB2 LYS 33 2.945 -4.444 -5.040 277 HB3 LYS 33 HB1 LYS 33 3.070 -5.718 -3.832 278 HG2 LYS 33 HG2 LYS 33 2.540 -7.392 -5.371 279 HG3 LYS 33 HG1 LYS 33 1.872 -6.240 -6.525 280 HD2 LYS 33 HD2 LYS 33 4.125 -5.329 -6.893 281 HD3 LYS 33 HD1 LYS 33 4.777 -6.525 -5.769 282 HE2 LYS 33 HE2 LYS 33 3.174 -7.316 -8.181 283 HE3 LYS 33 HE1 LYS 33 4.913 -7.054 -8.268 284 HZ1 LYS 33 HZ1 LYS 33 5.241 -8.772 -6.628 285 HZ2 LYS 33 HZ2 LYS 33 4.337 -9.387 -7.914 286 HZ3 LYS 33 HZ3 LYS 33 3.571 -8.995 -6.456 287 H VAL 34 HN VAL 34 0.972 -5.776 -1.832 288 HA VAL 34 HA VAL 34 0.393 -3.065 -0.901 289 HB VAL 34 HB VAL 34 0.374 -5.626 0.706 290 HG11 VAL 34 HG11 VAL 34 -0.887 -4.363 2.337 291 HG12 VAL 34 HG12 VAL 34 -0.862 -2.937 1.297 292 HG13 VAL 34 HG13 VAL 34 0.639 -3.541 2.003 293 HG21 VAL 34 HG21 VAL 34 -1.275 -5.809 -1.040 294 HG22 VAL 34 HG22 VAL 34 -1.887 -4.195 -0.684 295 HG23 VAL 34 HG23 VAL 34 -2.092 -5.494 0.490 296 H TYR 35 HN TYR 35 1.939 -1.828 -0.158 297 HA TYR 35 HA TYR 35 4.379 -3.080 0.922 298 HB2 TYR 35 HB2 TYR 35 4.031 -0.443 -0.527 299 HB3 TYR 35 HB1 TYR 35 5.520 -0.935 0.274 300 HD1 TYR 35 HD2 TYR 35 6.841 -2.824 -0.623 301 HD2 TYR 35 HD1 TYR 35 3.417 -1.331 -2.659 302 HE1 TYR 35 HE2 TYR 35 7.574 -3.958 -2.674 303 HE2 TYR 35 HE1 TYR 35 4.149 -2.459 -4.719 304 HH TYR 35 HH TYR 35 6.235 -3.295 -5.714 305 H ASP 36 HN ASP 36 4.905 -2.640 2.964 306 HA ASP 36 HA ASP 36 3.232 -0.766 4.471 307 HB2 ASP 36 HB2 ASP 36 3.584 -3.150 5.263 308 HB3 ASP 36 HB1 ASP 36 5.264 -2.725 5.567 309 H LEU 37 HN LEU 37 3.957 1.201 4.842 310 HA LEU 37 HA LEU 37 6.808 1.607 5.370 311 HB2 LEU 37 HB2 LEU 37 6.960 3.511 3.920 312 HB3 LEU 37 HB1 LEU 37 6.387 2.150 2.979 313 HG LEU 37 HG LEU 37 4.425 4.113 4.111 314 HD11 LEU 37 HD11 LEU 37 5.935 4.435 1.523 315 HD12 LEU 37 HD12 LEU 37 6.116 5.446 2.958 316 HD13 LEU 37 HD13 LEU 37 4.588 5.429 2.075 317 HD21 LEU 37 HD21 LEU 37 3.087 3.419 2.231 318 HD22 LEU 37 HD22 LEU 37 3.645 1.993 3.108 319 HD23 LEU 37 HD23 LEU 37 4.419 2.457 1.590 320 H THR 38 HN THR 38 4.441 1.445 7.031 321 HA THR 38 HA THR 38 3.445 3.962 7.749 322 HB THR 38 HB THR 38 2.675 1.547 8.423 323 HG1 THR 38 HG1 THR 38 2.445 3.956 9.895 324 HG21 THR 38 HG21 THR 38 4.305 2.335 10.844 325 HG22 THR 38 HG22 THR 38 4.684 1.005 9.749 326 HG23 THR 38 HG23 THR 38 3.213 0.955 10.722 327 H LYS 39 HN LYS 39 6.482 2.478 8.473 328 HA LYS 39 HA LYS 39 7.022 4.563 10.470 329 HB2 LYS 39 HB2 LYS 39 7.928 1.766 10.151 330 HB3 LYS 39 HB1 LYS 39 9.141 2.909 10.713 331 HG2 LYS 39 HG2 LYS 39 6.442 2.533 11.985 332 HG3 LYS 39 HG1 LYS 39 7.925 1.751 12.536 333 HD2 LYS 39 HD2 LYS 39 8.692 3.627 13.513 334 HD3 LYS 39 HD1 LYS 39 8.130 4.660 12.198 335 HE2 LYS 39 HE2 LYS 39 5.877 4.610 13.073 336 HE3 LYS 39 HE1 LYS 39 6.359 3.467 14.327 337 HZ1 LYS 39 HZ1 LYS 39 7.755 5.123 15.313 338 HZ2 LYS 39 HZ2 LYS 39 6.209 5.783 15.112 339 HZ3 LYS 39 HZ3 LYS 39 7.453 6.212 14.052 340 H PHE 40 HN PHE 40 7.260 4.294 7.322 341 HA PHE 40 HA PHE 40 9.955 5.478 7.201 342 HB2 PHE 40 HB2 PHE 40 8.764 3.378 5.646 343 HB3 PHE 40 HB1 PHE 40 9.144 4.738 4.595 344 HD1 PHE 40 HD1 PHE 40 10.639 2.559 7.208 345 HD2 PHE 40 HD2 PHE 40 11.301 5.028 3.804 346 HE1 PHE 40 HE1 PHE 40 13.001 1.865 7.167 347 HE2 PHE 40 HE2 PHE 40 13.662 4.336 3.754 348 HZ PHE 40 HZ PHE 40 14.513 2.750 5.436 349 H LEU 41 HN LEU 41 6.921 6.398 7.401 350 HA LEU 41 HA LEU 41 6.402 8.038 5.187 351 HB2 LEU 41 HB2 LEU 41 5.568 8.527 8.048 352 HB3 LEU 41 HB1 LEU 41 4.815 9.198 6.616 353 HG LEU 41 HG LEU 41 4.866 6.253 7.271 354 HD11 LEU 41 HD11 LEU 41 3.583 7.483 8.942 355 HD12 LEU 41 HD12 LEU 41 2.519 6.540 7.897 356 HD13 LEU 41 HD13 LEU 41 2.670 8.281 7.663 357 HD21 LEU 41 HD21 LEU 41 3.350 7.857 5.217 358 HD22 LEU 41 HD22 LEU 41 3.090 6.149 5.566 359 HD23 LEU 41 HD23 LEU 41 4.633 6.687 4.904 360 H GLU 42 HN GLU 42 8.180 8.631 8.169 361 HA GLU 42 HA GLU 42 8.679 11.398 7.461 362 HB2 GLU 42 HB2 GLU 42 10.045 11.341 9.601 363 HB3 GLU 42 HB1 GLU 42 8.318 11.076 9.758 364 HG2 GLU 42 HG2 GLU 42 8.739 8.644 9.851 365 HG3 GLU 42 HG1 GLU 42 10.468 8.982 9.815 366 H GLU 43 HN GLU 43 9.989 8.521 6.557 367 HA GLU 43 HA GLU 43 12.689 9.654 6.264 368 HB2 GLU 43 HB2 GLU 43 11.817 6.757 6.099 369 HB3 GLU 43 HB1 GLU 43 13.466 7.342 5.934 370 HG2 GLU 43 HG2 GLU 43 13.141 8.312 8.292 371 HG3 GLU 43 HG1 GLU 43 11.748 7.234 8.379 372 H HIS 44 HN HIS 44 10.011 9.741 4.695 373 HA HIS 44 HA HIS 44 10.994 8.862 2.080 374 HB2 HIS 44 HB2 HIS 44 8.773 8.049 2.792 375 HB3 HIS 44 HB1 HIS 44 8.214 9.714 2.915 376 HD1 HIS 44 HD1 HIS 44 7.313 10.768 0.814 377 HD2 HIS 44 HD2 HIS 44 9.360 7.220 0.090 378 HE1 HIS 44 HE1 HIS 44 6.936 10.218 -1.623 379 HA PRO 45 HA PRO 45 11.897 13.169 1.335 380 HB2 PRO 45 HB2 PRO 45 12.876 12.853 -1.172 381 HB3 PRO 45 HB1 PRO 45 13.804 12.434 0.277 382 HG2 PRO 45 HG2 PRO 45 12.292 10.648 -1.567 383 HG3 PRO 45 HG1 PRO 45 13.873 10.399 -0.798 384 HD2 PRO 45 HD2 PRO 45 11.579 9.269 0.132 385 HD3 PRO 45 HD1 PRO 45 12.952 9.690 1.177 386 H GLY 46 HN GLY 46 10.100 14.362 1.074 387 HA2 GLY 46 HA2 GLY 46 9.035 15.464 -0.993 388 HA3 GLY 46 HA1 GLY 46 8.406 13.845 -1.280 389 H GLY 47 HN GLY 47 8.356 13.693 1.825 390 HA2 GLY 47 HA2 GLY 47 6.986 14.841 3.482 391 HA3 GLY 47 HA1 GLY 47 5.886 15.272 2.182 392 H GLU 48 HN GLU 48 4.849 14.163 4.373 393 HA GLU 48 HA GLU 48 4.467 11.309 3.809 394 HB2 GLU 48 HB2 GLU 48 3.447 11.220 6.058 395 HB3 GLU 48 HB1 GLU 48 5.099 11.819 6.099 396 HG2 GLU 48 HG2 GLU 48 4.421 14.004 6.550 397 HG3 GLU 48 HG1 GLU 48 2.765 13.701 6.026 398 H GLU 49 HN GLU 49 2.978 14.345 3.478 399 HA GLU 49 HA GLU 49 0.271 13.797 3.793 400 HB2 GLU 49 HB2 GLU 49 1.477 16.032 3.302 401 HB3 GLU 49 HB1 GLU 49 1.292 15.592 1.611 402 HG2 GLU 49 HG2 GLU 49 -0.489 17.076 2.348 403 HG3 GLU 49 HG1 GLU 49 -1.114 15.501 1.865 404 H VAL 50 HN VAL 50 2.212 13.584 0.801 405 HA VAL 50 HA VAL 50 0.127 12.639 -0.827 406 HB VAL 50 HB VAL 50 1.954 11.775 -2.324 407 HG11 VAL 50 HG11 VAL 50 2.807 14.017 -2.878 408 HG12 VAL 50 HG12 VAL 50 2.176 14.618 -1.347 409 HG13 VAL 50 HG13 VAL 50 1.070 14.017 -2.581 410 HG21 VAL 50 HG21 VAL 50 4.266 12.379 -1.786 411 HG22 VAL 50 HG22 VAL 50 3.609 11.230 -0.617 412 HG23 VAL 50 HG23 VAL 50 3.749 12.936 -0.195 413 H LEU 51 HN LEU 51 2.076 10.990 1.506 414 HA LEU 51 HA LEU 51 1.587 8.358 0.421 415 HB2 LEU 51 HB2 LEU 51 2.677 9.121 3.129 416 HB3 LEU 51 HB1 LEU 51 2.770 7.543 2.372 417 HG LEU 51 HG LEU 51 4.133 10.025 1.325 418 HD11 LEU 51 HD11 LEU 51 5.278 7.681 2.832 419 HD12 LEU 51 HD12 LEU 51 5.029 9.297 3.490 420 HD13 LEU 51 HD13 LEU 51 6.180 9.047 2.180 421 HD21 LEU 51 HD21 LEU 51 4.348 7.122 0.532 422 HD22 LEU 51 HD22 LEU 51 5.362 8.424 -0.083 423 HD23 LEU 51 HD23 LEU 51 3.634 8.414 -0.427 424 H ARG 52 HN ARG 52 0.495 10.230 3.233 425 HA ARG 52 HA ARG 52 -1.200 8.177 4.220 426 HB2 ARG 52 HB2 ARG 52 -2.033 9.836 5.778 427 HB3 ARG 52 HB1 ARG 52 -0.282 9.945 5.658 428 HG2 ARG 52 HG2 ARG 52 -0.585 12.132 5.380 429 HG3 ARG 52 HG1 ARG 52 -1.162 11.737 3.759 430 HD2 ARG 52 HD2 ARG 52 -2.824 13.106 4.736 431 HD3 ARG 52 HD1 ARG 52 -3.454 11.462 4.777 432 HE ARG 52 HE ARG 52 -3.156 11.419 7.105 433 HH11 ARG 52 HH11 ARG 52 -2.236 14.493 5.653 434 HH12 ARG 52 HH12 ARG 52 -2.244 15.358 7.240 435 HH21 ARG 52 HH21 ARG 52 -3.181 12.492 9.128 436 HH22 ARG 52 HH22 ARG 52 -2.759 14.245 9.174 437 H GLU 53 HN GLU 53 -1.663 10.703 1.855 438 HA GLU 53 HA GLU 53 -4.527 10.582 1.974 439 HB2 GLU 53 HB2 GLU 53 -4.544 12.133 0.211 440 HB3 GLU 53 HB1 GLU 53 -3.147 12.558 1.186 441 HG2 GLU 53 HG2 GLU 53 -1.666 11.521 -0.405 442 HG3 GLU 53 HG1 GLU 53 -3.041 10.933 -1.339 443 H GLN 54 HN GLN 54 -2.073 8.755 0.404 444 HA GLN 54 HA GLN 54 -4.055 7.514 -1.373 445 HB2 GLN 54 HB2 GLN 54 -1.033 7.362 -1.402 446 HB3 GLN 54 HB1 GLN 54 -2.091 6.506 -2.516 447 HG2 GLN 54 HG2 GLN 54 -2.014 9.498 -2.237 448 HG3 GLN 54 HG1 GLN 54 -1.076 8.594 -3.420 449 HE21 GLN 54 HE21 GLN 54 -4.270 9.573 -2.441 450 HE22 GLN 54 HE22 GLN 54 -5.057 9.219 -3.938 451 H ALA 55 HN ALA 55 -3.043 7.143 1.639 452 HA ALA 55 HA ALA 55 -2.212 4.473 1.883 453 HB1 ALA 55 HB1 ALA 55 -3.732 6.172 3.861 454 HB2 ALA 55 HB2 ALA 55 -1.977 6.082 3.696 455 HB3 ALA 55 HB3 ALA 55 -2.886 4.669 4.232 456 H GLY 56 HN GLY 56 -3.259 2.622 1.634 457 HA2 GLY 56 HA2 GLY 56 -5.024 1.103 1.768 458 HA3 GLY 56 HA1 GLY 56 -6.107 2.428 2.173 459 H GLY 57 HN GLY 57 -4.342 3.396 -0.432 460 HA2 GLY 57 HA2 GLY 57 -6.271 2.276 -2.360 461 HA3 GLY 57 HA1 GLY 57 -5.886 3.989 -2.336 462 H ASP 58 HN ASP 58 -5.497 3.113 -4.659 463 HA ASP 58 HA ASP 58 -2.840 1.963 -4.973 464 HB2 ASP 58 HB2 ASP 58 -4.336 0.918 -6.432 465 HB3 ASP 58 HB1 ASP 58 -5.166 2.423 -6.815 466 H ALA 59 HN ALA 59 -1.101 3.084 -5.526 467 HA ALA 59 HA ALA 59 -1.461 5.823 -6.543 468 HB1 ALA 59 HB1 ALA 59 0.502 6.507 -5.176 469 HB2 ALA 59 HB2 ALA 59 0.437 4.933 -4.380 470 HB3 ALA 59 HB3 ALA 59 -0.913 6.057 -4.222 471 H THR 60 HN THR 60 -0.735 3.083 -7.679 472 HA THR 60 HA THR 60 1.965 3.011 -8.417 473 HB THR 60 HB THR 60 -0.318 2.095 -10.176 474 HG1 THR 60 HG1 THR 60 -0.727 1.163 -8.211 475 HG21 THR 60 HG21 THR 60 2.489 1.047 -9.814 476 HG22 THR 60 HG22 THR 60 1.922 2.006 -11.178 477 HG23 THR 60 HG23 THR 60 1.272 0.389 -10.904 478 H GLU 61 HN GLU 61 -0.789 4.671 -9.782 479 HA GLU 61 HA GLU 61 0.290 5.603 -12.167 480 HB2 GLU 61 HB2 GLU 61 -1.351 7.613 -11.587 481 HB3 GLU 61 HB1 GLU 61 -1.953 6.026 -12.050 482 HG2 GLU 61 HG2 GLU 61 -2.977 5.776 -10.103 483 HG3 GLU 61 HG1 GLU 61 -1.498 6.136 -9.217 484 H ASN 62 HN ASN 62 0.303 7.130 -8.958 485 HA ASN 62 HA ASN 62 1.777 9.423 -9.732 486 HB2 ASN 62 HB2 ASN 62 0.644 8.337 -7.312 487 HB3 ASN 62 HB1 ASN 62 2.263 8.965 -7.004 488 HD21 ASN 62 HD21 ASN 62 -0.976 9.729 -8.011 489 HD22 ASN 62 HD22 ASN 62 -0.831 11.447 -7.825 490 H PHE 63 HN PHE 63 2.666 6.255 -8.532 491 HA PHE 63 HA PHE 63 5.323 6.650 -7.828 492 HB2 PHE 63 HB2 PHE 63 3.914 4.565 -7.523 493 HB3 PHE 63 HB1 PHE 63 4.227 4.191 -9.210 494 HD1 PHE 63 HD1 PHE 63 6.420 3.470 -9.935 495 HD2 PHE 63 HD2 PHE 63 5.635 4.340 -5.846 496 HE1 PHE 63 HE1 PHE 63 8.492 2.309 -9.294 497 HE2 PHE 63 HE2 PHE 63 7.707 3.185 -5.196 498 HZ PHE 63 HZ PHE 63 9.140 2.169 -6.923 499 H GLU 64 HN GLU 64 3.977 5.743 -10.992 500 HA GLU 64 HA GLU 64 6.565 5.949 -12.258 501 HB2 GLU 64 HB2 GLU 64 5.168 5.525 -14.353 502 HB3 GLU 64 HB1 GLU 64 5.219 4.249 -13.143 503 HG2 GLU 64 HG2 GLU 64 3.054 4.863 -12.323 504 HG3 GLU 64 HG1 GLU 64 3.009 6.272 -13.381 505 H ASP 65 HN ASP 65 3.771 7.961 -11.813 506 HA ASP 65 HA ASP 65 4.163 9.765 -13.943 507 HB2 ASP 65 HB2 ASP 65 2.091 9.581 -12.546 508 HB3 ASP 65 HB1 ASP 65 2.963 10.385 -11.242 509 H VAL 66 HN VAL 66 5.216 9.876 -10.561 510 HA VAL 66 HA VAL 66 6.667 12.319 -10.884 511 HB VAL 66 HB VAL 66 6.839 10.227 -8.706 512 HG11 VAL 66 HG11 VAL 66 8.848 11.739 -8.963 513 HG12 VAL 66 HG12 VAL 66 8.045 11.797 -7.396 514 HG13 VAL 66 HG13 VAL 66 7.781 13.085 -8.569 515 HG21 VAL 66 HG21 VAL 66 4.626 11.244 -8.885 516 HG22 VAL 66 HG22 VAL 66 5.352 12.852 -8.821 517 HG23 VAL 66 HG23 VAL 66 5.448 11.783 -7.421 518 H GLY 67 HN GLY 67 7.630 8.910 -10.531 519 HA2 GLY 67 HA2 GLY 67 9.354 8.005 -11.977 520 HA3 GLY 67 HA1 GLY 67 10.144 9.575 -11.922 521 H HIS 68 HN HIS 68 10.284 6.506 -10.803 522 HA HIS 68 HA HIS 68 11.733 7.317 -8.368 523 HB2 HIS 68 HB2 HIS 68 10.012 4.924 -8.932 524 HB3 HIS 68 HB1 HIS 68 11.266 4.846 -7.701 525 HD1 HIS 68 HD1 HIS 68 8.012 6.635 -8.466 526 HD2 HIS 68 HD2 HIS 68 10.664 6.035 -5.314 527 HE1 HIS 68 HE1 HIS 68 6.871 7.526 -6.391 528 H SER 69 HN SER 69 13.804 6.692 -8.166 529 HA SER 69 HA SER 69 15.140 5.622 -10.457 530 HB2 SER 69 HB2 SER 69 16.282 6.044 -7.691 531 HB3 SER 69 HB1 SER 69 17.154 6.005 -9.222 532 HG SER 69 HG SER 69 15.363 7.982 -8.256 533 H THR 70 HN THR 70 16.821 3.817 -10.118 534 HA THR 70 HA THR 70 15.528 1.389 -9.714 535 HB THR 70 HB THR 70 18.495 1.591 -9.333 536 HG1 THR 70 HG1 THR 70 18.797 2.370 -11.288 537 HG21 THR 70 HG21 THR 70 16.715 -0.278 -10.905 538 HG22 THR 70 HG22 THR 70 17.472 -0.620 -9.348 539 HG23 THR 70 HG23 THR 70 18.468 -0.400 -10.788 540 H ASP 71 HN ASP 71 17.756 3.123 -7.560 541 HA ASP 71 HA ASP 71 17.886 1.258 -5.503 542 HB2 ASP 71 HB2 ASP 71 19.356 3.213 -5.634 543 HB3 ASP 71 HB1 ASP 71 17.993 4.277 -5.301 544 H ALA 72 HN ALA 72 15.488 3.743 -6.146 545 HA ALA 72 HA ALA 72 14.111 3.570 -3.691 546 HB1 ALA 72 HB1 ALA 72 13.916 5.457 -5.269 547 HB2 ALA 72 HB2 ALA 72 12.351 4.804 -4.788 548 HB3 ALA 72 HB3 ALA 72 13.020 4.412 -6.371 549 H ARG 73 HN ARG 73 13.405 2.101 -6.864 550 HA ARG 73 HA ARG 73 11.137 0.689 -5.935 551 HB2 ARG 73 HB2 ARG 73 11.307 -0.588 -8.051 552 HB3 ARG 73 HB1 ARG 73 11.343 1.152 -8.276 553 HG2 ARG 73 HG2 ARG 73 13.091 0.774 -9.590 554 HG3 ARG 73 HG1 ARG 73 14.001 0.531 -8.097 555 HD2 ARG 73 HD2 ARG 73 14.437 -1.337 -9.496 556 HD3 ARG 73 HD1 ARG 73 13.358 -1.892 -8.216 557 HE ARG 73 HE ARG 73 11.923 -1.051 -10.535 558 HH11 ARG 73 HH11 ARG 73 13.762 -3.697 -9.120 559 HH12 ARG 73 HH12 ARG 73 12.960 -4.944 -10.157 560 HH21 ARG 73 HH21 ARG 73 10.890 -2.589 -11.857 561 HH22 ARG 73 HH22 ARG 73 11.370 -4.320 -11.698 562 H GLU 74 HN GLU 74 14.552 -0.131 -6.054 563 HA GLU 74 HA GLU 74 14.188 -2.905 -5.488 564 HB2 GLU 74 HB2 GLU 74 16.587 -1.097 -5.144 565 HB3 GLU 74 HB1 GLU 74 16.622 -2.835 -4.883 566 HG2 GLU 74 HG2 GLU 74 15.814 -1.575 -7.487 567 HG3 GLU 74 HG1 GLU 74 17.467 -2.061 -7.109 568 H LEU 75 HN LEU 75 14.447 -0.014 -3.556 569 HA LEU 75 HA LEU 75 14.964 -1.261 -1.058 570 HB2 LEU 75 HB2 LEU 75 15.466 1.067 -1.360 571 HB3 LEU 75 HB1 LEU 75 13.805 1.422 -1.793 572 HG LEU 75 HG LEU 75 13.173 0.744 0.571 573 HD11 LEU 75 HD11 LEU 75 14.904 0.765 2.251 574 HD12 LEU 75 HD12 LEU 75 16.137 1.029 1.019 575 HD13 LEU 75 HD13 LEU 75 15.246 -0.491 1.061 576 HD21 LEU 75 HD21 LEU 75 13.782 2.904 1.497 577 HD22 LEU 75 HD22 LEU 75 13.302 3.077 -0.191 578 HD23 LEU 75 HD23 LEU 75 15.009 3.114 0.249 579 H SER 76 HN SER 76 12.053 -0.691 -2.896 580 HA SER 76 HA SER 76 10.222 -0.913 -0.752 581 HB2 SER 76 HB2 SER 76 8.499 -1.095 -2.422 582 HB3 SER 76 HB1 SER 76 9.684 0.087 -2.978 583 HG SER 76 HG SER 76 10.594 -1.599 -4.284 584 H LYS 77 HN LYS 77 12.193 -3.240 -2.183 585 HA LYS 77 HA LYS 77 10.482 -5.502 -2.046 586 HB2 LYS 77 HB2 LYS 77 12.687 -5.269 -3.328 587 HB3 LYS 77 HB1 LYS 77 13.483 -5.588 -1.793 588 HG2 LYS 77 HG2 LYS 77 12.450 -7.757 -1.648 589 HG3 LYS 77 HG1 LYS 77 11.498 -7.438 -3.100 590 HD2 LYS 77 HD2 LYS 77 13.495 -7.361 -4.449 591 HD3 LYS 77 HD1 LYS 77 14.511 -7.496 -3.015 592 HE2 LYS 77 HE2 LYS 77 13.538 -9.721 -2.573 593 HE3 LYS 77 HE1 LYS 77 12.608 -9.588 -4.063 594 HZ1 LYS 77 HZ1 LYS 77 15.564 -9.666 -3.818 595 HZ2 LYS 77 HZ2 LYS 77 14.739 -9.383 -5.261 596 HZ3 LYS 77 HZ3 LYS 77 14.571 -10.865 -4.472 597 H THR 78 HN THR 78 11.859 -3.626 0.394 598 HA THR 78 HA THR 78 11.767 -5.865 2.288 599 HB THR 78 HB THR 78 13.811 -4.330 2.189 600 HG1 THR 78 HG1 THR 78 12.435 -4.626 4.672 601 HG21 THR 78 HG21 THR 78 12.750 -2.173 2.056 602 HG22 THR 78 HG22 THR 78 13.623 -2.274 3.582 603 HG23 THR 78 HG23 THR 78 11.872 -2.461 3.556 604 H PHE 79 HN PHE 79 9.722 -3.711 1.021 605 HA PHE 79 HA PHE 79 8.288 -3.229 3.547 606 HB2 PHE 79 HB2 PHE 79 8.021 -1.805 0.889 607 HB3 PHE 79 HB1 PHE 79 7.074 -1.450 2.327 608 HD1 PHE 79 HD2 PHE 79 9.210 -1.580 4.402 609 HD2 PHE 79 HD1 PHE 79 9.179 0.163 0.521 610 HE1 PHE 79 HE2 PHE 79 10.929 0.027 5.113 611 HE2 PHE 79 HE1 PHE 79 10.900 1.771 1.224 612 HZ PHE 79 HZ PHE 79 11.776 1.704 3.524 613 H ILE 80 HN ILE 80 8.257 -5.049 0.692 614 HA ILE 80 HA ILE 80 5.440 -5.298 0.350 615 HB ILE 80 HB ILE 80 6.842 -5.753 -1.536 616 HG12 ILE 80 HG12 ILE 80 6.164 -8.179 -2.043 617 HG13 ILE 80 HG11 ILE 80 5.418 -8.168 -0.448 618 HG21 ILE 80 HG21 ILE 80 8.867 -6.445 -0.439 619 HG22 ILE 80 HG22 ILE 80 8.387 -7.673 -1.610 620 HG23 ILE 80 HG23 ILE 80 8.102 -7.936 0.110 621 HD11 ILE 80 HD11 ILE 80 3.850 -7.677 -2.293 622 HD12 ILE 80 HD12 ILE 80 4.771 -6.213 -2.636 623 HD13 ILE 80 HD13 ILE 80 3.947 -6.394 -1.089 624 H ILE 81 HN ILE 81 4.097 -6.290 1.676 625 HA ILE 81 HA ILE 81 5.064 -8.658 3.141 626 HB ILE 81 HB ILE 81 3.755 -8.126 5.058 627 HG12 ILE 81 HG12 ILE 81 1.859 -7.060 3.720 628 HG13 ILE 81 HG11 ILE 81 2.230 -6.331 5.277 629 HG21 ILE 81 HG21 ILE 81 5.318 -5.742 4.099 630 HG22 ILE 81 HG22 ILE 81 5.897 -7.093 5.073 631 HG23 ILE 81 HG23 ILE 81 4.743 -5.947 5.754 632 HD11 ILE 81 HD11 ILE 81 3.662 -4.685 3.927 633 HD12 ILE 81 HD12 ILE 81 1.905 -4.522 3.867 634 HD13 ILE 81 HD13 ILE 81 2.769 -5.284 2.528 635 H GLY 82 HN GLY 82 2.685 -7.356 1.056 636 HA2 GLY 82 HA2 GLY 82 1.450 -9.926 0.801 637 HA3 GLY 82 HA1 GLY 82 0.404 -8.762 1.596 638 H GLU 83 HN GLU 83 -0.677 -9.654 -0.543 639 HA GLU 83 HA GLU 83 -0.389 -7.490 -2.497 640 HB2 GLU 83 HB2 GLU 83 -0.271 -10.439 -3.070 641 HB3 GLU 83 HB1 GLU 83 -0.851 -9.309 -4.286 642 HG2 GLU 83 HG2 GLU 83 1.317 -8.066 -3.979 643 HG3 GLU 83 HG1 GLU 83 1.870 -9.441 -3.030 644 H LEU 84 HN LEU 84 -2.285 -7.606 -4.096 645 HA LEU 84 HA LEU 84 -4.698 -7.728 -2.514 646 HB2 LEU 84 HB2 LEU 84 -3.886 -6.590 -5.114 647 HB3 LEU 84 HB1 LEU 84 -5.551 -7.130 -5.022 648 HG LEU 84 HG LEU 84 -5.356 -4.744 -4.533 649 HD11 LEU 84 HD11 LEU 84 -6.624 -4.695 -2.483 650 HD12 LEU 84 HD12 LEU 84 -6.079 -6.319 -2.068 651 HD13 LEU 84 HD13 LEU 84 -7.129 -6.070 -3.463 652 HD21 LEU 84 HD21 LEU 84 -3.092 -4.738 -3.628 653 HD22 LEU 84 HD22 LEU 84 -3.655 -5.598 -2.194 654 HD23 LEU 84 HD23 LEU 84 -4.225 -3.962 -2.521 655 H HIS 85 HN HIS 85 -6.507 -8.959 -2.951 656 HA HIS 85 HA HIS 85 -6.076 -11.626 -3.769 657 HB2 HIS 85 HB2 HIS 85 -8.181 -10.110 -2.562 658 HB3 HIS 85 HB1 HIS 85 -8.862 -10.999 -3.920 659 HD1 HIS 85 HD1 HIS 85 -9.587 -13.307 -3.399 660 HD2 HIS 85 HD2 HIS 85 -6.659 -11.946 -0.759 661 HE1 HIS 85 HE1 HIS 85 -9.285 -15.144 -1.694 662 HE2 HIS 85 HE2 HIS 85 -7.538 -14.283 -0.092 663 HA PRO 86 HA PRO 86 -6.539 -11.419 -8.177 664 HB2 PRO 86 HB2 PRO 86 -7.939 -13.746 -8.637 665 HB3 PRO 86 HB1 PRO 86 -6.191 -13.672 -8.371 666 HG2 PRO 86 HG2 PRO 86 -8.355 -14.366 -6.441 667 HG3 PRO 86 HG1 PRO 86 -6.750 -15.096 -6.648 668 HD2 PRO 86 HD2 PRO 86 -7.252 -13.373 -4.654 669 HD3 PRO 86 HD1 PRO 86 -5.680 -13.412 -5.479 670 H ASP 87 HN ASP 87 -9.300 -12.070 -6.146 671 HA ASP 87 HA ASP 87 -11.368 -11.649 -7.991 672 HB2 ASP 87 HB2 ASP 87 -11.486 -10.954 -5.051 673 HB3 ASP 87 HB1 ASP 87 -12.812 -11.463 -6.092 674 H ASP 88 HN ASP 88 -9.705 -9.444 -5.792 675 HA ASP 88 HA ASP 88 -11.126 -7.143 -6.862 676 HB2 ASP 88 HB2 ASP 88 -8.898 -7.264 -4.809 677 HB3 ASP 88 HB1 ASP 88 -9.901 -5.864 -5.171 678 H ARG 89 HN ARG 89 -8.956 -8.914 -8.235 679 HA ARG 89 HA ARG 89 -7.233 -6.684 -9.076 680 HB2 ARG 89 HB2 ARG 89 -6.164 -8.680 -7.897 681 HB3 ARG 89 HB1 ARG 89 -6.533 -9.599 -9.348 682 HG2 ARG 89 HG2 ARG 89 -5.217 -7.923 -10.651 683 HG3 ARG 89 HG1 ARG 89 -4.728 -7.206 -9.114 684 HD2 ARG 89 HD2 ARG 89 -4.256 -10.083 -9.895 685 HD3 ARG 89 HD1 ARG 89 -3.061 -8.796 -10.048 686 HE ARG 89 HE ARG 89 -4.212 -9.409 -7.412 687 HH11 ARG 89 HH11 ARG 89 -1.460 -9.255 -9.599 688 HH12 ARG 89 HH12 ARG 89 -0.259 -9.571 -8.293 689 HH21 ARG 89 HH21 ARG 89 -2.723 -9.833 -5.724 690 HH22 ARG 89 HH22 ARG 89 -0.954 -9.922 -6.129 691 H SER 90 HN SER 90 -9.003 -9.554 -10.277 692 HA SER 90 HA SER 90 -8.947 -8.251 -12.921 693 HB2 SER 90 HB2 SER 90 -9.029 -11.207 -12.902 694 HB3 SER 90 HB1 SER 90 -8.174 -10.106 -13.980 695 HG SER 90 HG SER 90 -7.010 -9.792 -11.688 696 H LYS 91 HN LYS 91 -11.016 -9.020 -10.529 697 HA LYS 91 HA LYS 91 -13.130 -9.769 -12.446 698 HB2 LYS 91 HB2 LYS 91 -13.323 -10.315 -9.495 699 HB3 LYS 91 HB1 LYS 91 -14.288 -10.990 -10.794 700 HG2 LYS 91 HG2 LYS 91 -12.250 -12.189 -11.590 701 HG3 LYS 91 HG1 LYS 91 -11.424 -11.624 -10.136 702 HD2 LYS 91 HD2 LYS 91 -13.552 -13.675 -10.444 703 HD3 LYS 91 HD1 LYS 91 -12.153 -13.652 -9.369 704 HE2 LYS 91 HE2 LYS 91 -13.322 -11.858 -8.052 705 HE3 LYS 91 HE1 LYS 91 -14.746 -12.149 -9.045 706 HZ1 LYS 91 HZ1 LYS 91 -15.047 -13.411 -7.125 707 HZ2 LYS 91 HZ2 LYS 91 -13.453 -13.984 -7.112 708 HZ3 LYS 91 HZ3 LYS 91 -14.551 -14.535 -8.286 709 H LEU 92 HN LEU 92 -12.771 -8.275 -9.237 710 HA LEU 92 HA LEU 92 -13.663 -6.427 -8.286 711 HB2 LEU 92 HB2 LEU 92 -13.696 -5.722 -11.162 712 HB3 LEU 92 HB1 LEU 92 -14.744 -4.774 -10.128 713 HG LEU 92 HG LEU 92 -12.608 -3.660 -10.435 714 HD11 LEU 92 HD11 LEU 92 -12.084 -3.204 -8.159 715 HD12 LEU 92 HD12 LEU 92 -12.748 -4.751 -7.637 716 HD13 LEU 92 HD13 LEU 92 -13.821 -3.498 -8.263 717 HD21 LEU 92 HD21 LEU 92 -11.398 -6.135 -9.211 718 HD22 LEU 92 HD22 LEU 92 -10.536 -4.636 -9.563 719 HD23 LEU 92 HD23 LEU 92 -11.212 -5.597 -10.881 720 H SER 93 HN SER 93 -15.260 -8.837 -9.004 721 HA SER 93 HA SER 93 -17.959 -7.793 -9.263 722 HB2 SER 93 HB2 SER 93 -17.246 -10.682 -8.806 723 HB3 SER 93 HB1 SER 93 -18.630 -10.013 -9.669 724 HG SER 93 HG SER 93 -17.453 -10.303 -11.381 725 H LYS 94 HN LYS 94 -17.460 -6.637 -7.132 726 HA LYS 94 HA LYS 94 -18.613 -8.223 -4.970 727 HB2 LYS 94 HB2 LYS 94 -15.941 -6.852 -4.893 728 HB3 LYS 94 HB1 LYS 94 -16.903 -6.985 -3.429 729 HG2 LYS 94 HG2 LYS 94 -16.762 -9.326 -3.410 730 HG3 LYS 94 HG1 LYS 94 -16.231 -9.388 -5.091 731 HD2 LYS 94 HD2 LYS 94 -14.345 -9.829 -3.656 732 HD3 LYS 94 HD1 LYS 94 -14.129 -8.256 -4.421 733 HE2 LYS 94 HE2 LYS 94 -15.039 -7.203 -2.353 734 HE3 LYS 94 HE1 LYS 94 -15.042 -8.795 -1.598 735 HZ1 LYS 94 HZ1 LYS 94 -13.052 -7.504 -1.041 736 HZ2 LYS 94 HZ2 LYS 94 -12.645 -7.414 -2.690 737 HZ3 LYS 94 HZ3 LYS 94 -12.660 -8.912 -1.901 738 HA PRO 95 HA PRO 95 -20.839 -4.359 -4.740 739 HB2 PRO 95 HB2 PRO 95 -22.431 -4.981 -2.645 740 HB3 PRO 95 HB1 PRO 95 -22.691 -5.658 -4.259 741 HG2 PRO 95 HG2 PRO 95 -21.391 -6.904 -1.888 742 HG3 PRO 95 HG1 PRO 95 -22.503 -7.623 -3.067 743 HD2 PRO 95 HD2 PRO 95 -19.806 -7.987 -3.146 744 HD3 PRO 95 HD1 PRO 95 -20.840 -8.035 -4.587 745 H MET 96 HN MET 96 -21.166 -2.603 -3.163 746 HA MET 96 HA MET 96 -19.142 -2.697 -1.024 747 HB2 MET 96 HB2 MET 96 -18.506 -1.173 -2.842 748 HB3 MET 96 HB1 MET 96 -20.015 -0.293 -2.632 749 HG2 MET 96 HG2 MET 96 -19.364 0.465 -0.472 750 HG3 MET 96 HG1 MET 96 -17.955 -0.591 -0.466 751 HE1 MET 96 HE1 MET 96 -19.656 2.524 -2.061 752 HE2 MET 96 HE2 MET 96 -19.255 1.600 -3.509 753 HE3 MET 96 HE3 MET 96 -18.421 3.117 -3.172 754 H GLU 97 HN GLU 97 -21.997 -0.765 -1.921 755 HA GLU 97 HA GLU 97 -23.790 -0.033 -0.750 756 HB2 GLU 97 HB2 GLU 97 -24.151 -2.382 -0.169 757 HB3 GLU 97 HB1 GLU 97 -23.048 -2.231 1.190 758 HG2 GLU 97 HG2 GLU 97 -24.582 -0.537 2.169 759 HG3 GLU 97 HG1 GLU 97 -25.713 -0.878 0.861 760 H THR 98 HN THR 98 -23.437 1.992 -0.061 761 HA THR 98 HA THR 98 -22.699 2.459 2.641 762 HB THR 98 HB THR 98 -20.457 2.056 1.448 763 HG1 THR 98 HG1 THR 98 -19.861 3.047 3.199 764 HG21 THR 98 HG21 THR 98 -19.496 3.911 0.237 765 HG22 THR 98 HG22 THR 98 -20.963 4.866 0.459 766 HG23 THR 98 HG23 THR 98 -20.992 3.422 -0.555 767 H LEU 99 HN LEU 99 -22.344 4.955 2.945 768 HA LEU 99 HA LEU 99 -23.260 7.025 2.899 769 HB2 LEU 99 HB2 LEU 99 -23.317 6.331 -0.021 770 HB3 LEU 99 HB1 LEU 99 -23.953 7.858 0.559 771 HG LEU 99 HG LEU 99 -21.136 6.979 1.155 772 HD11 LEU 99 HD11 LEU 99 -21.344 7.004 -1.245 773 HD12 LEU 99 HD12 LEU 99 -20.452 8.432 -0.721 774 HD13 LEU 99 HD13 LEU 99 -22.143 8.573 -1.194 775 HD21 LEU 99 HD21 LEU 99 -22.035 8.746 2.564 776 HD22 LEU 99 HD22 LEU 99 -22.503 9.670 1.134 777 HD23 LEU 99 HD23 LEU 99 -20.796 9.385 1.486 778 H ILE 100 HN ILE 100 -24.942 5.062 3.762 779 HA ILE 100 HA ILE 100 -27.556 5.846 2.653 780 HB ILE 100 HB ILE 100 -28.389 3.713 3.741 781 HG12 ILE 100 HG12 ILE 100 -25.438 3.026 3.776 782 HG13 ILE 100 HG11 ILE 100 -26.387 3.412 5.208 783 HG21 ILE 100 HG21 ILE 100 -26.430 3.579 1.453 784 HG22 ILE 100 HG22 ILE 100 -28.174 3.842 1.363 785 HG23 ILE 100 HG23 ILE 100 -27.543 2.276 1.881 786 HD11 ILE 100 HD11 ILE 100 -26.143 1.034 5.018 787 HD12 ILE 100 HD12 ILE 100 -26.774 1.063 3.370 788 HD13 ILE 100 HD13 ILE 100 -27.829 1.468 4.724 789 H THR 101 HN THR 101 -25.838 7.099 4.786 790 HA THR 101 HA THR 101 -27.940 7.316 6.797 791 HB THR 101 HB THR 101 -25.069 7.061 7.679 792 HG1 THR 101 HG1 THR 101 -26.875 4.907 7.933 793 HG21 THR 101 HG21 THR 101 -26.065 6.565 9.838 794 HG22 THR 101 HG22 THR 101 -27.680 6.619 9.134 795 HG23 THR 101 HG23 THR 101 -26.708 8.088 9.219 796 H THR 102 HN THR 102 -28.052 9.345 7.767 797 HA THR 102 HA THR 102 -26.915 11.501 6.305 798 HB THR 102 HB THR 102 -27.978 12.243 8.912 799 HG1 THR 102 HG1 THR 102 -29.766 10.852 7.185 800 HG21 THR 102 HG21 THR 102 -27.821 13.750 6.977 801 HG22 THR 102 HG22 THR 102 -29.488 13.584 7.534 802 HG23 THR 102 HG23 THR 102 -28.950 12.723 6.091 803 H VAL 103 HN VAL 103 -24.813 11.966 6.466 804 HA VAL 103 HA VAL 103 -23.565 11.943 9.133 805 HB VAL 103 HB VAL 103 -21.380 11.831 7.882 806 HG11 VAL 103 HG11 VAL 103 -23.323 9.549 7.562 807 HG12 VAL 103 HG12 VAL 103 -22.277 9.863 8.943 808 HG13 VAL 103 HG13 VAL 103 -21.574 9.416 7.393 809 HG21 VAL 103 HG21 VAL 103 -21.463 10.993 5.558 810 HG22 VAL 103 HG22 VAL 103 -22.118 12.621 5.716 811 HG23 VAL 103 HG23 VAL 103 -23.209 11.246 5.551 812 H ASP 104 HN ASP 104 -25.071 14.047 7.412 813 HA ASP 104 HA ASP 104 -23.062 16.176 7.720 814 HB2 ASP 104 HB2 ASP 104 -23.933 17.313 5.847 815 HB3 ASP 104 HB1 ASP 104 -23.864 15.629 5.341 816 HHB HEM 400 HB HEM 400 11.637 4.890 -1.967 817 HHC HEM 400 HC HEM 400 5.328 4.745 -2.464 818 HHD HEM 400 HD HEM 400 5.365 10.719 -4.555 819 HMA HEM 400 HMA1 HEM 400 13.931 5.500 -3.000 820 HMAA HEM 400 HMA2 HEM 400 13.751 6.142 -1.365 821 HMAB HEM 400 HMA3 HEM 400 14.761 6.986 -2.537 822 HAA HEM 400 HAA1 HEM 400 14.434 9.536 -2.909 823 HAAA HEM 400 HAA2 HEM 400 13.603 10.097 -4.351 824 HBA HEM 400 HBA1 HEM 400 14.626 7.366 -4.639 825 HBAA HEM 400 HBA2 HEM 400 15.893 8.549 -4.327 826 HMB HEM 400 HMB1 HEM 400 10.321 2.145 -2.130 827 HMBA HEM 400 HMB2 HEM 400 9.517 2.204 -0.558 828 HMBB HEM 400 HMB3 HEM 400 10.937 3.205 -0.876 829 HAB HEM 400 HAB HEM 400 6.419 2.230 -2.340 830 HBB HEM 400 HBB1 HEM 400 7.300 2.711 0.618 831 HBBA HEM 400 HBB2 HEM 400 6.100 1.383 -0.080 832 HMC HEM 400 HMC1 HEM 400 2.260 6.659 -3.636 833 HMCA HEM 400 HMC2 HEM 400 2.951 6.051 -2.128 834 HMCB HEM 400 HMC3 HEM 400 3.294 5.247 -3.665 835 HAC HEM 400 HAC HEM 400 3.240 9.785 -5.034 836 HBC HEM 400 HBC1 HEM 400 1.792 8.511 -2.574 837 HBCA HEM 400 HBC2 HEM 400 1.123 9.797 -3.835 838 HMD HEM 400 HMD1 HEM 400 5.991 12.479 -5.442 839 HMDA HEM 400 HMD2 HEM 400 7.399 13.339 -6.074 840 HMDB HEM 400 HMD3 HEM 400 6.902 13.548 -4.392 841 HAD HEM 400 HAD1 HEM 400 9.513 13.707 -5.342 842 HADA HEM 400 HAD2 HEM 400 10.794 13.024 -4.354 843 HBD HEM 400 HBD1 HEM 400 10.333 11.893 -7.086 844 HBDA HEM 400 HBD2 HEM 400 11.832 12.017 -6.163 845 HHA HEM 400 HA HEM 400 11.691 10.744 -4.360 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 20.189 -14.401 17.233 2 H2 MET 1 HT2 MET 1 21.541 -14.170 18.222 3 H3 MET 1 HT3 MET 1 21.585 -13.676 16.609 4 HA MET 1 HA MET 1 20.046 -12.517 18.834 5 HB2 MET 1 HB2 MET 1 22.456 -11.829 17.360 6 HB3 MET 1 HB1 MET 1 21.280 -10.524 17.333 7 HG2 MET 1 HG2 MET 1 22.769 -10.226 19.192 8 HG3 MET 1 HG1 MET 1 21.158 -10.617 19.789 9 HE1 MET 1 HE1 MET 1 24.954 -13.159 20.130 10 HE2 MET 1 HE2 MET 1 24.852 -11.432 19.776 11 HE3 MET 1 HE3 MET 1 24.394 -12.613 18.550 12 H ALA 2 HN ALA 2 19.522 -10.100 17.450 13 HA ALA 2 HA ALA 2 17.140 -10.843 16.081 14 HB1 ALA 2 HB1 ALA 2 17.432 -8.789 17.478 15 HB2 ALA 2 HB2 ALA 2 16.702 -8.509 15.898 16 HB3 ALA 2 HB3 ALA 2 18.399 -8.109 16.169 17 H ALA 3 HN ALA 3 17.501 -11.933 14.208 18 HA ALA 3 HA ALA 3 18.367 -10.360 11.947 19 HB1 ALA 3 HB1 ALA 3 20.494 -11.265 12.745 20 HB2 ALA 3 HB2 ALA 3 20.055 -11.949 11.180 21 HB3 ALA 3 HB3 ALA 3 19.840 -12.898 12.653 22 H GLN 4 HN GLN 4 16.749 -10.682 10.566 23 HA GLN 4 HA GLN 4 16.039 -13.366 9.776 24 HB2 GLN 4 HB2 GLN 4 13.616 -13.058 10.154 25 HB3 GLN 4 HB1 GLN 4 14.529 -13.105 11.653 26 HG2 GLN 4 HG2 GLN 4 14.087 -10.935 12.158 27 HG3 GLN 4 HG1 GLN 4 13.991 -10.448 10.465 28 HE21 GLN 4 HE21 GLN 4 12.062 -9.350 10.777 29 HE22 GLN 4 HE22 GLN 4 10.562 -10.171 11.029 30 H SER 5 HN SER 5 15.544 -13.438 7.683 31 HA SER 5 HA SER 5 14.795 -10.930 6.333 32 HB2 SER 5 HB2 SER 5 16.563 -13.070 5.123 33 HB3 SER 5 HB1 SER 5 16.225 -11.463 4.476 34 HG SER 5 HG SER 5 17.295 -11.534 7.031 35 H ASP 6 HN ASP 6 13.206 -13.111 7.407 36 HA ASP 6 HA ASP 6 12.319 -14.859 5.374 37 HB2 ASP 6 HB2 ASP 6 10.896 -13.896 7.869 38 HB3 ASP 6 HB1 ASP 6 10.381 -15.252 6.870 39 H LYS 7 HN LYS 7 11.397 -14.237 3.543 40 HA LYS 7 HA LYS 7 9.477 -12.005 3.640 41 HB2 LYS 7 HB2 LYS 7 11.248 -12.863 1.341 42 HB3 LYS 7 HB1 LYS 7 10.016 -11.614 1.246 43 HG2 LYS 7 HG2 LYS 7 12.377 -11.504 3.109 44 HG3 LYS 7 HG1 LYS 7 12.349 -10.770 1.506 45 HD2 LYS 7 HD2 LYS 7 10.297 -9.491 2.270 46 HD3 LYS 7 HD1 LYS 7 10.653 -10.069 3.899 47 HE2 LYS 7 HE2 LYS 7 12.950 -9.066 3.635 48 HE3 LYS 7 HE1 LYS 7 12.374 -8.320 2.147 49 HZ1 LYS 7 HZ1 LYS 7 12.198 -6.756 3.936 50 HZ2 LYS 7 HZ2 LYS 7 11.332 -7.851 4.890 51 HZ3 LYS 7 HZ3 LYS 7 10.632 -7.216 3.487 52 H ASP 8 HN ASP 8 7.466 -12.356 2.899 53 HA ASP 8 HA ASP 8 6.885 -14.707 1.272 54 HB2 ASP 8 HB2 ASP 8 6.594 -15.053 3.905 55 HB3 ASP 8 HB1 ASP 8 5.070 -14.227 3.595 56 H VAL 9 HN VAL 9 4.210 -14.590 1.094 57 HA VAL 9 HA VAL 9 3.580 -11.780 0.494 58 HB VAL 9 HB VAL 9 4.150 -12.684 -1.637 59 HG11 VAL 9 HG11 VAL 9 2.325 -15.001 -1.015 60 HG12 VAL 9 HG12 VAL 9 4.083 -15.049 -1.156 61 HG13 VAL 9 HG13 VAL 9 3.093 -14.704 -2.576 62 HG21 VAL 9 HG21 VAL 9 2.224 -11.279 -1.759 63 HG22 VAL 9 HG22 VAL 9 1.159 -12.603 -1.286 64 HG23 VAL 9 HG23 VAL 9 1.966 -12.638 -2.853 65 H LYS 10 HN LYS 10 2.095 -11.355 2.000 66 HA LYS 10 HA LYS 10 0.095 -13.329 2.721 67 HB2 LYS 10 HB2 LYS 10 0.876 -10.635 3.767 68 HB3 LYS 10 HB1 LYS 10 -0.680 -11.324 4.205 69 HG2 LYS 10 HG2 LYS 10 0.444 -13.289 5.112 70 HG3 LYS 10 HG1 LYS 10 2.007 -12.593 4.680 71 HD2 LYS 10 HD2 LYS 10 1.875 -10.957 6.314 72 HD3 LYS 10 HD1 LYS 10 0.113 -11.040 6.395 73 HE2 LYS 10 HE2 LYS 10 1.867 -13.321 7.268 74 HE3 LYS 10 HE1 LYS 10 1.421 -12.010 8.361 75 HZ1 LYS 10 HZ1 LYS 10 -0.552 -13.676 6.894 76 HZ2 LYS 10 HZ2 LYS 10 -0.870 -12.555 8.124 77 HZ3 LYS 10 HZ3 LYS 10 -0.050 -13.988 8.477 78 H TYR 11 HN TYR 11 -1.754 -13.526 1.692 79 HA TYR 11 HA TYR 11 -2.649 -11.477 -0.138 80 HB2 TYR 11 HB2 TYR 11 -3.298 -14.315 0.375 81 HB3 TYR 11 HB1 TYR 11 -4.639 -13.323 -0.185 82 HD1 TYR 11 HD2 TYR 11 -1.002 -13.614 -1.050 83 HD2 TYR 11 HD1 TYR 11 -5.023 -13.522 -2.437 84 HE1 TYR 11 HE2 TYR 11 -0.202 -13.846 -3.366 85 HE2 TYR 11 HE1 TYR 11 -4.238 -13.754 -4.752 86 HH TYR 11 HH TYR 11 -1.015 -14.581 -5.525 87 H TYR 12 HN TYR 12 -3.256 -9.771 1.112 88 HA TYR 12 HA TYR 12 -5.108 -10.111 3.306 89 HB2 TYR 12 HB2 TYR 12 -3.607 -7.810 2.127 90 HB3 TYR 12 HB1 TYR 12 -5.014 -7.484 3.132 91 HD1 TYR 12 HD2 TYR 12 -5.037 -8.342 5.503 92 HD2 TYR 12 HD1 TYR 12 -1.533 -8.395 3.090 93 HE1 TYR 12 HE2 TYR 12 -3.655 -8.578 7.521 94 HE2 TYR 12 HE1 TYR 12 -0.145 -8.634 5.104 95 HH TYR 12 HH TYR 12 -1.386 -9.494 8.091 96 H THR 13 HN THR 13 -7.078 -8.773 3.434 97 HA THR 13 HA THR 13 -8.629 -9.060 1.001 98 HB THR 13 HB THR 13 -10.244 -7.952 3.019 99 HG1 THR 13 HG1 THR 13 -9.685 -9.712 4.649 100 HG21 THR 13 HG21 THR 13 -11.359 -10.050 2.966 101 HG22 THR 13 HG22 THR 13 -9.901 -10.888 2.440 102 HG23 THR 13 HG23 THR 13 -10.728 -9.784 1.341 103 H LEU 14 HN LEU 14 -9.894 -7.342 0.116 104 HA LEU 14 HA LEU 14 -8.495 -4.914 -0.171 105 HB2 LEU 14 HB2 LEU 14 -9.999 -5.922 -1.872 106 HB3 LEU 14 HB1 LEU 14 -11.373 -5.510 -0.865 107 HG LEU 14 HG LEU 14 -10.776 -3.109 -1.104 108 HD11 LEU 14 HD11 LEU 14 -9.216 -2.490 -2.912 109 HD12 LEU 14 HD12 LEU 14 -8.738 -4.184 -3.045 110 HD13 LEU 14 HD13 LEU 14 -8.419 -3.290 -1.557 111 HD21 LEU 14 HD21 LEU 14 -11.546 -2.906 -3.419 112 HD22 LEU 14 HD22 LEU 14 -12.471 -4.114 -2.527 113 HD23 LEU 14 HD23 LEU 14 -11.228 -4.623 -3.670 114 H GLU 15 HN GLU 15 -11.271 -5.826 1.824 115 HA GLU 15 HA GLU 15 -11.731 -3.115 2.681 116 HB2 GLU 15 HB2 GLU 15 -13.506 -3.972 3.986 117 HB3 GLU 15 HB1 GLU 15 -13.498 -4.935 2.515 118 HG2 GLU 15 HG2 GLU 15 -11.987 -5.935 4.867 119 HG3 GLU 15 HG1 GLU 15 -13.744 -6.033 4.890 120 H GLU 16 HN GLU 16 -9.634 -5.638 3.580 121 HA GLU 16 HA GLU 16 -9.350 -4.881 6.340 122 HB2 GLU 16 HB2 GLU 16 -8.974 -7.204 5.387 123 HB3 GLU 16 HB1 GLU 16 -7.463 -6.591 4.734 124 HG2 GLU 16 HG2 GLU 16 -7.190 -7.797 6.864 125 HG3 GLU 16 HG1 GLU 16 -6.630 -6.127 6.933 126 H ILE 17 HN ILE 17 -7.446 -4.464 3.372 127 HA ILE 17 HA ILE 17 -5.284 -3.149 4.626 128 HB ILE 17 HB ILE 17 -4.708 -2.318 2.333 129 HG12 ILE 17 HG12 ILE 17 -6.173 -3.783 0.597 130 HG13 ILE 17 HG11 ILE 17 -7.409 -3.409 1.792 131 HG21 ILE 17 HG21 ILE 17 -4.166 -4.540 1.456 132 HG22 ILE 17 HG22 ILE 17 -5.292 -5.262 2.606 133 HG23 ILE 17 HG23 ILE 17 -3.852 -4.426 3.187 134 HD11 ILE 17 HD11 ILE 17 -7.276 -1.816 -0.118 135 HD12 ILE 17 HD12 ILE 17 -5.687 -1.328 0.472 136 HD13 ILE 17 HD13 ILE 17 -7.117 -1.069 1.472 137 H LYS 18 HN LYS 18 -8.381 -2.009 3.522 138 HA LYS 18 HA LYS 18 -7.570 0.776 3.845 139 HB2 LYS 18 HB2 LYS 18 -9.762 1.356 2.978 140 HB3 LYS 18 HB1 LYS 18 -8.982 0.192 1.919 141 HG2 LYS 18 HG2 LYS 18 -10.822 -1.024 2.016 142 HG3 LYS 18 HG1 LYS 18 -10.472 -1.334 3.716 143 HD2 LYS 18 HD2 LYS 18 -12.649 -0.491 3.739 144 HD3 LYS 18 HD1 LYS 18 -11.652 0.901 4.165 145 HE2 LYS 18 HE2 LYS 18 -12.349 0.414 1.301 146 HE3 LYS 18 HE1 LYS 18 -13.558 1.113 2.374 147 HZ1 LYS 18 HZ1 LYS 18 -10.856 2.217 1.834 148 HZ2 LYS 18 HZ2 LYS 18 -11.982 2.883 2.908 149 HZ3 LYS 18 HZ3 LYS 18 -12.319 2.829 1.251 150 H LYS 19 HN LYS 19 -8.326 -1.563 5.892 151 HA LYS 19 HA LYS 19 -9.984 0.130 7.638 152 HB2 LYS 19 HB2 LYS 19 -10.283 -2.533 6.968 153 HB3 LYS 19 HB1 LYS 19 -9.492 -2.608 8.537 154 HG2 LYS 19 HG2 LYS 19 -11.587 -2.486 9.324 155 HG3 LYS 19 HG1 LYS 19 -11.389 -0.755 9.037 156 HD2 LYS 19 HD2 LYS 19 -13.272 -0.989 7.833 157 HD3 LYS 19 HD1 LYS 19 -12.181 -1.596 6.588 158 HE2 LYS 19 HE2 LYS 19 -14.039 -3.121 6.844 159 HE3 LYS 19 HE1 LYS 19 -12.558 -3.886 7.417 160 HZ1 LYS 19 HZ1 LYS 19 -13.481 -2.781 9.666 161 HZ2 LYS 19 HZ2 LYS 19 -13.814 -4.366 9.192 162 HZ3 LYS 19 HZ3 LYS 19 -14.940 -3.138 8.885 163 H HIS 20 HN HIS 20 -7.011 -1.701 7.406 164 HA HIS 20 HA HIS 20 -6.232 -0.962 10.112 165 HB2 HIS 20 HB2 HIS 20 -5.302 -2.900 8.078 166 HB3 HIS 20 HB1 HIS 20 -4.054 -2.215 9.112 167 HD1 HIS 20 HD1 HIS 20 -6.990 -4.541 9.161 168 HD2 HIS 20 HD2 HIS 20 -4.222 -2.936 11.830 169 HE1 HIS 20 HE1 HIS 20 -7.180 -5.916 11.251 170 HE2 HIS 20 HE2 HIS 20 -5.624 -4.825 12.900 171 H ASN 21 HN ASN 21 -6.447 0.835 7.582 172 HA ASN 21 HA ASN 21 -3.766 1.768 7.185 173 HB2 ASN 21 HB2 ASN 21 -4.810 3.534 5.815 174 HB3 ASN 21 HB1 ASN 21 -5.379 1.931 5.374 175 HD21 ASN 21 HD21 ASN 21 -6.652 4.367 4.747 176 HD22 ASN 21 HD22 ASN 21 -8.195 4.372 5.532 177 H HIS 22 HN HIS 22 -3.345 2.029 9.495 178 HA HIS 22 HA HIS 22 -4.306 4.626 10.506 179 HB2 HIS 22 HB2 HIS 22 -3.377 2.166 11.988 180 HB3 HIS 22 HB1 HIS 22 -3.607 3.727 12.768 181 HD1 HIS 22 HD1 HIS 22 -6.031 4.537 13.113 182 HD2 HIS 22 HD2 HIS 22 -5.739 0.797 11.327 183 HE1 HIS 22 HE1 HIS 22 -8.344 3.562 13.204 184 HE2 HIS 22 HE2 HIS 22 -8.176 1.366 11.986 185 H SER 23 HN SER 23 -2.564 5.461 12.236 186 HA SER 23 HA SER 23 -0.278 6.147 10.704 187 HB2 SER 23 HB2 SER 23 0.412 7.065 13.097 188 HB3 SER 23 HB1 SER 23 -0.867 7.838 12.158 189 HG SER 23 HG SER 23 -1.008 6.499 14.534 190 H LYS 24 HN LYS 24 -0.979 3.500 12.706 191 HA LYS 24 HA LYS 24 1.866 2.895 13.105 192 HB2 LYS 24 HB2 LYS 24 1.087 1.206 14.730 193 HB3 LYS 24 HB1 LYS 24 0.537 2.823 15.142 194 HG2 LYS 24 HG2 LYS 24 -1.362 1.349 13.482 195 HG3 LYS 24 HG1 LYS 24 -1.033 0.577 15.034 196 HD2 LYS 24 HD2 LYS 24 -1.545 3.504 15.018 197 HD3 LYS 24 HD1 LYS 24 -2.916 2.427 14.746 198 HE2 LYS 24 HE2 LYS 24 -2.405 1.251 16.825 199 HE3 LYS 24 HE1 LYS 24 -1.025 2.311 17.096 200 HZ1 LYS 24 HZ1 LYS 24 -2.456 4.158 17.377 201 HZ2 LYS 24 HZ2 LYS 24 -3.083 2.916 18.335 202 HZ3 LYS 24 HZ3 LYS 24 -3.813 3.294 16.859 203 H SER 25 HN SER 25 -0.272 2.465 10.800 204 HA SER 25 HA SER 25 0.955 0.076 9.779 205 HB2 SER 25 HB2 SER 25 -2.055 0.007 10.098 206 HB3 SER 25 HB1 SER 25 -0.986 -1.296 9.576 207 HG SER 25 HG SER 25 -0.097 -0.625 11.924 208 H THR 26 HN THR 26 1.268 2.447 8.710 209 HA THR 26 HA THR 26 -0.785 3.137 6.822 210 HB THR 26 HB THR 26 2.069 4.102 6.780 211 HG1 THR 26 HG1 THR 26 0.068 4.519 8.644 212 HG21 THR 26 HG21 THR 26 1.130 6.084 5.774 213 HG22 THR 26 HG22 THR 26 -0.507 5.470 5.991 214 HG23 THR 26 HG23 THR 26 0.589 4.677 4.861 215 H TRP 27 HN TRP 27 -1.125 1.374 5.510 216 HA TRP 27 HA TRP 27 1.114 0.355 3.922 217 HB2 TRP 27 HB2 TRP 27 -1.755 -0.614 4.072 218 HB3 TRP 27 HB1 TRP 27 -0.439 -1.409 3.219 219 HD1 TRP 27 HD1 TRP 27 1.580 -0.844 5.875 220 HE1 TRP 27 HE1 TRP 27 1.373 -2.527 7.807 221 HE3 TRP 27 HE3 TRP 27 -3.015 -2.786 4.767 222 HZ2 TRP 27 HZ2 TRP 27 -0.491 -4.432 8.739 223 HZ3 TRP 27 HZ3 TRP 27 -3.937 -4.540 6.224 224 HH2 TRP 27 HH2 TRP 27 -2.701 -5.347 8.170 225 H LEU 28 HN LEU 28 1.236 0.592 1.732 226 HA LEU 28 HA LEU 28 -0.869 2.210 0.442 227 HB2 LEU 28 HB2 LEU 28 2.089 2.509 0.416 228 HB3 LEU 28 HB1 LEU 28 1.240 2.817 -1.084 229 HG LEU 28 HG LEU 28 -0.215 4.309 0.699 230 HD11 LEU 28 HD11 LEU 28 1.481 3.803 2.454 231 HD12 LEU 28 HD12 LEU 28 1.304 5.524 2.101 232 HD13 LEU 28 HD13 LEU 28 2.685 4.629 1.459 233 HD21 LEU 28 HD21 LEU 28 0.992 6.238 -0.288 234 HD22 LEU 28 HD22 LEU 28 0.468 5.057 -1.488 235 HD23 LEU 28 HD23 LEU 28 2.158 5.111 -0.983 236 H ILE 29 HN ILE 29 -1.527 1.573 -1.581 237 HA ILE 29 HA ILE 29 -0.491 -1.018 -2.470 238 HB ILE 29 HB ILE 29 -3.030 0.435 -3.234 239 HG12 ILE 29 HG12 ILE 29 -2.538 -2.084 -1.624 240 HG13 ILE 29 HG11 ILE 29 -3.117 -0.544 -0.998 241 HG21 ILE 29 HG21 ILE 29 -3.607 -1.562 -4.521 242 HG22 ILE 29 HG22 ILE 29 -2.037 -2.269 -4.137 243 HG23 ILE 29 HG23 ILE 29 -2.129 -0.817 -5.132 244 HD11 ILE 29 HD11 ILE 29 -4.582 -2.287 -2.963 245 HD12 ILE 29 HD12 ILE 29 -5.167 -0.774 -2.269 246 HD13 ILE 29 HD13 ILE 29 -4.912 -2.181 -1.235 247 H LEU 30 HN LEU 30 1.029 -0.954 -3.958 248 HA LEU 30 HA LEU 30 0.871 1.105 -6.066 249 HB2 LEU 30 HB2 LEU 30 3.450 -0.082 -5.074 250 HB3 LEU 30 HB1 LEU 30 3.232 1.326 -6.092 251 HG LEU 30 HG LEU 30 2.314 1.259 -3.224 252 HD11 LEU 30 HD11 LEU 30 4.415 2.472 -2.719 253 HD12 LEU 30 HD12 LEU 30 4.985 2.084 -4.341 254 HD13 LEU 30 HD13 LEU 30 4.664 0.791 -3.186 255 HD21 LEU 30 HD21 LEU 30 3.051 3.591 -4.988 256 HD22 LEU 30 HD22 LEU 30 2.285 3.640 -3.401 257 HD23 LEU 30 HD23 LEU 30 1.403 2.996 -4.785 258 H HIS 31 HN HIS 31 0.491 0.207 -7.949 259 HA HIS 31 HA HIS 31 0.497 -1.203 -9.713 260 HB2 HIS 31 HB2 HIS 31 3.090 -1.785 -8.425 261 HB3 HIS 31 HB1 HIS 31 2.480 -3.048 -9.491 262 HD1 HIS 31 HD1 HIS 31 3.883 -2.750 -11.536 263 HD2 HIS 31 HD2 HIS 31 2.319 0.841 -10.163 264 HE1 HIS 31 HE1 HIS 31 4.435 -1.052 -13.306 265 HE2 HIS 31 HE2 HIS 31 3.238 1.051 -12.570 266 H HIS 32 HN HIS 32 -1.119 -1.714 -7.516 267 HA HIS 32 HA HIS 32 -2.658 -3.226 -6.831 268 HB2 HIS 32 HB2 HIS 32 -1.422 -5.005 -8.940 269 HB3 HIS 32 HB1 HIS 32 -2.924 -5.343 -8.086 270 HD1 HIS 32 HD1 HIS 32 -1.563 -3.549 -10.977 271 HD2 HIS 32 HD2 HIS 32 -5.043 -3.478 -8.708 272 HE1 HIS 32 HE1 HIS 32 -3.222 -2.238 -12.331 273 HE2 HIS 32 HE2 HIS 32 -5.236 -2.017 -10.831 274 H LYS 33 HN LYS 33 0.068 -3.130 -5.630 275 HA LYS 33 HA LYS 33 -0.102 -5.705 -4.220 276 HB2 LYS 33 HB2 LYS 33 2.454 -4.256 -4.953 277 HB3 LYS 33 HB1 LYS 33 2.349 -5.720 -3.983 278 HG2 LYS 33 HG2 LYS 33 1.214 -6.767 -6.017 279 HG3 LYS 33 HG1 LYS 33 1.812 -5.368 -6.912 280 HD2 LYS 33 HD2 LYS 33 4.096 -5.909 -6.223 281 HD3 LYS 33 HD1 LYS 33 3.494 -7.310 -5.334 282 HE2 LYS 33 HE2 LYS 33 2.581 -8.201 -7.463 283 HE3 LYS 33 HE1 LYS 33 3.346 -6.854 -8.310 284 HZ1 LYS 33 HZ1 LYS 33 4.731 -8.956 -6.736 285 HZ2 LYS 33 HZ2 LYS 33 5.491 -7.634 -7.472 286 HZ3 LYS 33 HZ3 LYS 33 4.728 -8.803 -8.419 287 H VAL 34 HN VAL 34 0.596 -5.607 -1.975 288 HA VAL 34 HA VAL 34 0.076 -2.940 -0.853 289 HB VAL 34 HB VAL 34 0.050 -5.552 0.658 290 HG11 VAL 34 HG11 VAL 34 -1.320 -4.296 2.252 291 HG12 VAL 34 HG12 VAL 34 -1.162 -2.856 1.248 292 HG13 VAL 34 HG13 VAL 34 0.261 -3.549 2.024 293 HG21 VAL 34 HG21 VAL 34 -1.570 -5.668 -1.178 294 HG22 VAL 34 HG22 VAL 34 -2.289 -4.150 -0.637 295 HG23 VAL 34 HG23 VAL 34 -2.372 -5.580 0.392 296 H TYR 35 HN TYR 35 1.669 -1.812 -0.008 297 HA TYR 35 HA TYR 35 4.071 -3.224 0.966 298 HB2 TYR 35 HB2 TYR 35 3.940 -0.443 -0.227 299 HB3 TYR 35 HB1 TYR 35 5.391 -1.276 0.310 300 HD1 TYR 35 HD1 TYR 35 2.747 -1.221 -2.261 301 HD2 TYR 35 HD2 TYR 35 6.508 -2.841 -1.104 302 HE1 TYR 35 HE1 TYR 35 3.060 -2.107 -4.530 303 HE2 TYR 35 HE2 TYR 35 6.824 -3.729 -3.371 304 HH TYR 35 HH TYR 35 4.679 -2.889 -5.985 305 H ASP 36 HN ASP 36 4.805 -2.694 2.974 306 HA ASP 36 HA ASP 36 3.211 -0.737 4.485 307 HB2 ASP 36 HB2 ASP 36 3.100 -2.843 5.582 308 HB3 ASP 36 HB1 ASP 36 4.824 -3.131 5.369 309 H LEU 37 HN LEU 37 4.106 1.098 5.019 310 HA LEU 37 HA LEU 37 6.985 1.276 5.432 311 HB2 LEU 37 HB2 LEU 37 7.133 3.314 4.047 312 HB3 LEU 37 HB1 LEU 37 6.747 1.889 3.102 313 HG LEU 37 HG LEU 37 4.492 3.593 4.040 314 HD11 LEU 37 HD11 LEU 37 6.268 4.298 1.708 315 HD12 LEU 37 HD12 LEU 37 6.127 5.212 3.210 316 HD13 LEU 37 HD13 LEU 37 4.742 5.077 2.126 317 HD21 LEU 37 HD21 LEU 37 3.536 2.888 1.918 318 HD22 LEU 37 HD22 LEU 37 4.105 1.490 2.831 319 HD23 LEU 37 HD23 LEU 37 5.053 2.106 1.476 320 H THR 38 HN THR 38 4.686 1.266 7.150 321 HA THR 38 HA THR 38 3.865 3.823 7.933 322 HB THR 38 HB THR 38 2.992 1.460 8.607 323 HG1 THR 38 HG1 THR 38 3.013 3.824 10.154 324 HG21 THR 38 HG21 THR 38 4.823 2.019 10.940 325 HG22 THR 38 HG22 THR 38 5.077 0.756 9.739 326 HG23 THR 38 HG23 THR 38 3.667 0.692 10.795 327 H LYS 39 HN LYS 39 6.875 2.237 8.381 328 HA LYS 39 HA LYS 39 7.661 4.240 10.384 329 HB2 LYS 39 HB2 LYS 39 8.522 1.415 9.919 330 HB3 LYS 39 HB1 LYS 39 9.675 2.550 10.609 331 HG2 LYS 39 HG2 LYS 39 6.942 2.052 11.760 332 HG3 LYS 39 HG1 LYS 39 8.400 1.198 12.274 333 HD2 LYS 39 HD2 LYS 39 9.428 3.336 12.884 334 HD3 LYS 39 HD1 LYS 39 7.966 4.184 12.379 335 HE2 LYS 39 HE2 LYS 39 6.679 3.029 14.086 336 HE3 LYS 39 HE1 LYS 39 8.109 2.115 14.567 337 HZ1 LYS 39 HZ1 LYS 39 9.165 4.175 15.238 338 HZ2 LYS 39 HZ2 LYS 39 7.686 3.991 16.039 339 HZ3 LYS 39 HZ3 LYS 39 7.818 5.064 14.742 340 H PHE 40 HN PHE 40 7.538 4.430 7.384 341 HA PHE 40 HA PHE 40 10.311 5.347 7.012 342 HB2 PHE 40 HB2 PHE 40 9.581 3.126 5.787 343 HB3 PHE 40 HB1 PHE 40 8.782 4.239 4.684 344 HD1 PHE 40 HD1 PHE 40 12.063 3.387 6.164 345 HD2 PHE 40 HD2 PHE 40 9.987 5.329 3.007 346 HE1 PHE 40 HE1 PHE 40 14.190 3.705 4.971 347 HE2 PHE 40 HE2 PHE 40 12.106 5.654 1.802 348 HZ PHE 40 HZ PHE 40 14.214 4.840 2.783 349 H LEU 41 HN LEU 41 7.289 6.308 7.390 350 HA LEU 41 HA LEU 41 6.731 7.949 5.152 351 HB2 LEU 41 HB2 LEU 41 5.799 8.411 7.982 352 HB3 LEU 41 HB1 LEU 41 5.031 8.957 6.506 353 HG LEU 41 HG LEU 41 5.321 6.039 7.197 354 HD11 LEU 41 HD11 LEU 41 4.042 7.105 8.959 355 HD12 LEU 41 HD12 LEU 41 2.987 6.126 7.937 356 HD13 LEU 41 HD13 LEU 41 3.003 7.883 7.761 357 HD21 LEU 41 HD21 LEU 41 3.518 7.505 5.273 358 HD22 LEU 41 HD22 LEU 41 3.528 5.767 5.563 359 HD23 LEU 41 HD23 LEU 41 4.934 6.546 4.841 360 H GLU 42 HN GLU 42 8.259 8.609 8.283 361 HA GLU 42 HA GLU 42 8.702 11.380 7.665 362 HB2 GLU 42 HB2 GLU 42 9.986 11.409 9.780 363 HB3 GLU 42 HB1 GLU 42 8.377 10.727 9.971 364 HG2 GLU 42 HG2 GLU 42 9.818 8.492 9.478 365 HG3 GLU 42 HG1 GLU 42 11.013 9.484 10.314 366 H GLU 43 HN GLU 43 10.193 8.570 6.692 367 HA GLU 43 HA GLU 43 12.805 9.870 6.326 368 HB2 GLU 43 HB2 GLU 43 11.964 6.971 6.287 369 HB3 GLU 43 HB1 GLU 43 13.529 7.504 5.692 370 HG2 GLU 43 HG2 GLU 43 13.942 8.501 7.955 371 HG3 GLU 43 HG1 GLU 43 12.467 7.700 8.496 372 H HIS 44 HN HIS 44 10.035 9.734 4.766 373 HA HIS 44 HA HIS 44 11.056 8.964 2.149 374 HB2 HIS 44 HB2 HIS 44 8.833 8.160 2.803 375 HB3 HIS 44 HB1 HIS 44 8.290 9.820 3.027 376 HD1 HIS 44 HD1 HIS 44 7.363 10.987 0.988 377 HD2 HIS 44 HD2 HIS 44 9.361 7.457 0.074 378 HE1 HIS 44 HE1 HIS 44 7.001 10.585 -1.478 379 HA PRO 45 HA PRO 45 11.906 13.261 1.320 380 HB2 PRO 45 HB2 PRO 45 12.963 12.916 -1.136 381 HB3 PRO 45 HB1 PRO 45 13.846 12.479 0.334 382 HG2 PRO 45 HG2 PRO 45 12.374 10.721 -1.566 383 HG3 PRO 45 HG1 PRO 45 13.914 10.435 -0.732 384 HD2 PRO 45 HD2 PRO 45 11.514 9.386 0.083 385 HD3 PRO 45 HD1 PRO 45 12.893 9.672 1.160 386 H GLY 46 HN GLY 46 10.216 14.535 0.875 387 HA2 GLY 46 HA2 GLY 46 9.111 15.521 -1.170 388 HA3 GLY 46 HA1 GLY 46 8.556 13.879 -1.477 389 H GLY 47 HN GLY 47 8.491 13.923 1.702 390 HA2 GLY 47 HA2 GLY 47 6.943 15.124 3.190 391 HA3 GLY 47 HA1 GLY 47 5.820 15.168 1.841 392 H GLU 48 HN GLU 48 5.170 14.209 4.367 393 HA GLU 48 HA GLU 48 5.011 11.298 4.004 394 HB2 GLU 48 HB2 GLU 48 4.269 11.325 6.420 395 HB3 GLU 48 HB1 GLU 48 5.924 11.847 6.134 396 HG2 GLU 48 HG2 GLU 48 5.320 14.145 6.396 397 HG3 GLU 48 HG1 GLU 48 3.606 13.735 6.459 398 H GLU 49 HN GLU 49 3.161 14.225 4.072 399 HA GLU 49 HA GLU 49 0.615 13.224 4.652 400 HB2 GLU 49 HB2 GLU 49 0.967 15.592 4.636 401 HB3 GLU 49 HB1 GLU 49 1.482 15.558 2.953 402 HG2 GLU 49 HG2 GLU 49 -0.743 14.986 2.235 403 HG3 GLU 49 HG1 GLU 49 -1.284 14.861 3.908 404 H VAL 50 HN VAL 50 2.360 13.474 1.601 405 HA VAL 50 HA VAL 50 0.283 12.702 -0.106 406 HB VAL 50 HB VAL 50 2.085 12.082 -1.712 407 HG11 VAL 50 HG11 VAL 50 3.021 14.365 -1.877 408 HG12 VAL 50 HG12 VAL 50 2.360 14.722 -0.282 409 HG13 VAL 50 HG13 VAL 50 1.277 14.350 -1.624 410 HG21 VAL 50 HG21 VAL 50 4.420 12.547 -1.087 411 HG22 VAL 50 HG22 VAL 50 3.740 11.216 -0.153 412 HG23 VAL 50 HG23 VAL 50 3.912 12.809 0.580 413 H LEU 51 HN LEU 51 2.076 10.863 2.136 414 HA LEU 51 HA LEU 51 1.502 8.335 0.789 415 HB2 LEU 51 HB2 LEU 51 2.935 8.811 3.405 416 HB3 LEU 51 HB1 LEU 51 2.867 7.308 2.505 417 HG LEU 51 HG LEU 51 4.162 9.816 1.445 418 HD11 LEU 51 HD11 LEU 51 5.436 7.455 2.822 419 HD12 LEU 51 HD12 LEU 51 5.303 9.090 3.474 420 HD13 LEU 51 HD13 LEU 51 6.293 8.789 2.045 421 HD21 LEU 51 HD21 LEU 51 4.343 6.928 0.587 422 HD22 LEU 51 HD22 LEU 51 5.219 8.280 -0.133 423 HD23 LEU 51 HD23 LEU 51 3.460 8.202 -0.255 424 H ARG 52 HN ARG 52 0.761 10.061 3.803 425 HA ARG 52 HA ARG 52 -0.877 8.003 4.862 426 HB2 ARG 52 HB2 ARG 52 -1.667 9.706 6.468 427 HB3 ARG 52 HB1 ARG 52 0.086 9.647 6.346 428 HG2 ARG 52 HG2 ARG 52 0.042 11.842 6.066 429 HG3 ARG 52 HG1 ARG 52 -0.684 11.562 4.484 430 HD2 ARG 52 HD2 ARG 52 -2.085 13.094 5.621 431 HD3 ARG 52 HD1 ARG 52 -2.917 11.541 5.635 432 HE ARG 52 HE ARG 52 -1.450 11.678 7.982 433 HH11 ARG 52 HH11 ARG 52 -4.095 13.418 6.453 434 HH12 ARG 52 HH12 ARG 52 -4.804 13.945 8.024 435 HH21 ARG 52 HH21 ARG 52 -2.323 12.316 9.994 436 HH22 ARG 52 HH22 ARG 52 -3.820 13.325 10.003 437 H GLU 53 HN GLU 53 -1.509 10.637 2.651 438 HA GLU 53 HA GLU 53 -4.371 10.411 2.903 439 HB2 GLU 53 HB2 GLU 53 -4.519 12.079 1.208 440 HB3 GLU 53 HB1 GLU 53 -3.184 12.531 2.255 441 HG2 GLU 53 HG2 GLU 53 -1.605 11.625 0.616 442 HG3 GLU 53 HG1 GLU 53 -2.957 11.209 -0.435 443 H GLN 54 HN GLN 54 -2.149 8.420 1.677 444 HA GLN 54 HA GLN 54 -3.994 7.328 -0.345 445 HB2 GLN 54 HB2 GLN 54 -0.967 7.274 -0.349 446 HB3 GLN 54 HB1 GLN 54 -1.986 6.414 -1.495 447 HG2 GLN 54 HG2 GLN 54 -2.083 9.397 -1.151 448 HG3 GLN 54 HG1 GLN 54 -0.992 8.597 -2.276 449 HE21 GLN 54 HE21 GLN 54 -4.306 9.355 -1.549 450 HE22 GLN 54 HE22 GLN 54 -4.939 8.955 -3.109 451 H ALA 55 HN ALA 55 -3.262 6.958 2.645 452 HA ALA 55 HA ALA 55 -2.195 4.352 2.935 453 HB1 ALA 55 HB1 ALA 55 -3.947 5.849 4.873 454 HB2 ALA 55 HB2 ALA 55 -2.208 6.075 4.717 455 HB3 ALA 55 HB3 ALA 55 -2.849 4.519 5.240 456 H GLY 56 HN GLY 56 -3.114 2.517 2.377 457 HA2 GLY 56 HA2 GLY 56 -4.722 0.855 2.276 458 HA3 GLY 56 HA1 GLY 56 -5.857 1.949 3.057 459 H GLY 57 HN GLY 57 -4.217 3.156 0.306 460 HA2 GLY 57 HA2 GLY 57 -6.554 2.566 -1.390 461 HA3 GLY 57 HA1 GLY 57 -5.894 4.192 -1.283 462 H ASP 58 HN ASP 58 -6.091 3.121 -3.717 463 HA ASP 58 HA ASP 58 -3.590 1.844 -4.437 464 HB2 ASP 58 HB2 ASP 58 -5.691 1.158 -5.539 465 HB3 ASP 58 HB1 ASP 58 -5.873 2.779 -6.193 466 H ALA 59 HN ALA 59 -1.834 3.012 -4.657 467 HA ALA 59 HA ALA 59 -2.080 5.770 -5.671 468 HB1 ALA 59 HB1 ALA 59 0.074 6.198 -4.528 469 HB2 ALA 59 HB2 ALA 59 0.019 4.560 -3.876 470 HB3 ALA 59 HB3 ALA 59 -1.216 5.734 -3.420 471 H THR 60 HN THR 60 -1.811 3.127 -7.096 472 HA THR 60 HA THR 60 0.662 2.667 -8.206 473 HB THR 60 HB THR 60 -2.073 2.487 -9.471 474 HG1 THR 60 HG1 THR 60 -1.945 1.003 -7.880 475 HG21 THR 60 HG21 THR 60 0.500 1.273 -10.495 476 HG22 THR 60 HG22 THR 60 -0.328 2.648 -11.221 477 HG23 THR 60 HG23 THR 60 -1.107 1.068 -11.188 478 H GLU 61 HN GLU 61 -1.809 4.939 -9.373 479 HA GLU 61 HA GLU 61 -0.434 5.896 -11.599 480 HB2 GLU 61 HB2 GLU 61 -1.901 7.969 -11.262 481 HB3 GLU 61 HB1 GLU 61 -2.712 6.430 -11.502 482 HG2 GLU 61 HG2 GLU 61 -3.040 6.250 -9.069 483 HG3 GLU 61 HG1 GLU 61 -2.276 7.822 -8.865 484 H ASN 62 HN ASN 62 -0.561 7.263 -8.317 485 HA ASN 62 HA ASN 62 1.078 9.479 -8.784 486 HB2 ASN 62 HB2 ASN 62 0.185 7.978 -6.377 487 HB3 ASN 62 HB1 ASN 62 1.549 9.074 -6.188 488 HD21 ASN 62 HD21 ASN 62 -1.262 9.152 -5.188 489 HD22 ASN 62 HD22 ASN 62 -1.856 10.698 -5.677 490 H PHE 63 HN PHE 63 1.902 6.179 -7.874 491 HA PHE 63 HA PHE 63 4.579 6.583 -7.165 492 HB2 PHE 63 HB2 PHE 63 3.166 4.514 -6.802 493 HB3 PHE 63 HB1 PHE 63 3.477 4.101 -8.482 494 HD1 PHE 63 HD2 PHE 63 5.279 4.955 -5.339 495 HD2 PHE 63 HD1 PHE 63 5.298 2.784 -8.994 496 HE1 PHE 63 HE2 PHE 63 7.376 3.855 -4.670 497 HE2 PHE 63 HE1 PHE 63 7.393 1.679 -8.331 498 HZ PHE 63 HZ PHE 63 8.436 2.214 -6.168 499 H GLU 64 HN GLU 64 3.252 5.578 -10.331 500 HA GLU 64 HA GLU 64 5.891 5.798 -11.496 501 HB2 GLU 64 HB2 GLU 64 4.502 5.249 -13.643 502 HB3 GLU 64 HB1 GLU 64 4.856 4.004 -12.457 503 HG2 GLU 64 HG2 GLU 64 2.639 4.287 -11.489 504 HG3 GLU 64 HG1 GLU 64 2.286 5.554 -12.665 505 H ASP 65 HN ASP 65 3.176 7.840 -11.098 506 HA ASP 65 HA ASP 65 3.550 9.481 -13.394 507 HB2 ASP 65 HB2 ASP 65 1.504 9.422 -11.856 508 HB3 ASP 65 HB1 ASP 65 2.439 10.426 -10.752 509 H VAL 66 HN VAL 66 4.904 9.362 -10.199 510 HA VAL 66 HA VAL 66 6.361 11.834 -10.432 511 HB VAL 66 HB VAL 66 6.545 9.575 -8.431 512 HG11 VAL 66 HG11 VAL 66 8.701 10.770 -8.689 513 HG12 VAL 66 HG12 VAL 66 7.977 10.963 -7.094 514 HG13 VAL 66 HG13 VAL 66 7.877 12.272 -8.271 515 HG21 VAL 66 HG21 VAL 66 4.467 10.862 -8.354 516 HG22 VAL 66 HG22 VAL 66 5.397 12.348 -8.188 517 HG23 VAL 66 HG23 VAL 66 5.448 11.132 -6.916 518 H GLY 67 HN GLY 67 7.067 8.386 -10.703 519 HA2 GLY 67 HA2 GLY 67 8.703 7.415 -12.071 520 HA3 GLY 67 HA1 GLY 67 9.425 9.009 -12.293 521 H HIS 68 HN HIS 68 9.563 6.082 -10.570 522 HA HIS 68 HA HIS 68 11.353 7.226 -8.544 523 HB2 HIS 68 HB2 HIS 68 9.712 4.715 -8.664 524 HB3 HIS 68 HB1 HIS 68 11.088 4.826 -7.568 525 HD1 HIS 68 HD1 HIS 68 7.825 6.690 -8.278 526 HD2 HIS 68 HD2 HIS 68 10.539 5.982 -5.205 527 HE1 HIS 68 HE1 HIS 68 6.855 7.771 -6.209 528 H SER 69 HN SER 69 13.420 6.541 -8.302 529 HA SER 69 HA SER 69 14.880 5.737 -10.514 530 HB2 SER 69 HB2 SER 69 16.030 5.049 -7.892 531 HB3 SER 69 HB1 SER 69 16.658 6.105 -9.159 532 HG SER 69 HG SER 69 15.553 6.843 -6.905 533 H THR 70 HN THR 70 16.088 3.788 -10.928 534 HA THR 70 HA THR 70 14.559 1.452 -10.820 535 HB THR 70 HB THR 70 17.154 0.565 -11.182 536 HG1 THR 70 HG1 THR 70 18.139 2.523 -11.229 537 HG21 THR 70 HG21 THR 70 15.380 1.751 -13.316 538 HG22 THR 70 HG22 THR 70 15.107 0.176 -12.581 539 HG23 THR 70 HG23 THR 70 16.574 0.470 -13.507 540 H ASP 71 HN ASP 71 17.160 2.605 -8.730 541 HA ASP 71 HA ASP 71 17.305 0.163 -7.237 542 HB2 ASP 71 HB2 ASP 71 19.082 2.079 -7.505 543 HB3 ASP 71 HB1 ASP 71 18.244 2.780 -6.124 544 H ALA 72 HN ALA 72 15.460 3.084 -7.076 545 HA ALA 72 HA ALA 72 14.583 2.915 -4.395 546 HB1 ALA 72 HB1 ALA 72 13.180 4.214 -6.728 547 HB2 ALA 72 HB2 ALA 72 14.427 4.974 -5.733 548 HB3 ALA 72 HB3 ALA 72 12.880 4.520 -5.016 549 H ARG 73 HN ARG 73 13.114 1.830 -7.452 550 HA ARG 73 HA ARG 73 10.794 0.757 -6.242 551 HB2 ARG 73 HB2 ARG 73 10.508 -0.511 -8.373 552 HB3 ARG 73 HB1 ARG 73 10.737 1.217 -8.597 553 HG2 ARG 73 HG2 ARG 73 12.257 0.664 -10.119 554 HG3 ARG 73 HG1 ARG 73 13.299 0.218 -8.768 555 HD2 ARG 73 HD2 ARG 73 13.220 -1.587 -10.370 556 HD3 ARG 73 HD1 ARG 73 12.408 -2.081 -8.884 557 HE ARG 73 HE ARG 73 10.668 -0.989 -10.917 558 HH11 ARG 73 HH11 ARG 73 12.198 -3.880 -9.598 559 HH12 ARG 73 HH12 ARG 73 10.933 -4.979 -10.284 560 HH21 ARG 73 HH21 ARG 73 9.069 -2.357 -11.806 561 HH22 ARG 73 HH22 ARG 73 9.201 -4.135 -11.520 562 H GLU 74 HN GLU 74 13.998 -0.533 -6.839 563 HA GLU 74 HA GLU 74 13.344 -3.232 -6.201 564 HB2 GLU 74 HB2 GLU 74 15.974 -1.748 -6.271 565 HB3 GLU 74 HB1 GLU 74 15.849 -3.462 -5.912 566 HG2 GLU 74 HG2 GLU 74 14.944 -2.148 -8.463 567 HG3 GLU 74 HG1 GLU 74 16.456 -3.026 -8.242 568 H LEU 75 HN LEU 75 14.274 -0.408 -4.381 569 HA LEU 75 HA LEU 75 14.906 -1.743 -1.950 570 HB2 LEU 75 HB2 LEU 75 15.698 0.521 -2.495 571 HB3 LEU 75 HB1 LEU 75 14.048 1.110 -2.441 572 HG LEU 75 HG LEU 75 13.982 0.414 -0.020 573 HD11 LEU 75 HD11 LEU 75 16.129 0.112 1.113 574 HD12 LEU 75 HD12 LEU 75 16.950 0.114 -0.447 575 HD13 LEU 75 HD13 LEU 75 15.817 -1.177 -0.048 576 HD21 LEU 75 HD21 LEU 75 15.216 2.374 0.751 577 HD22 LEU 75 HD22 LEU 75 14.292 2.738 -0.706 578 HD23 LEU 75 HD23 LEU 75 16.033 2.482 -0.808 579 H SER 76 HN SER 76 11.984 -0.658 -3.451 580 HA SER 76 HA SER 76 10.337 -0.624 -1.136 581 HB2 SER 76 HB2 SER 76 9.429 -1.068 -3.984 582 HB3 SER 76 HB1 SER 76 8.500 -0.383 -2.652 583 HG SER 76 HG SER 76 10.892 0.867 -3.429 584 H LYS 77 HN LYS 77 11.741 -3.117 -2.893 585 HA LYS 77 HA LYS 77 9.769 -5.126 -2.778 586 HB2 LYS 77 HB2 LYS 77 11.781 -5.199 -4.210 587 HB3 LYS 77 HB1 LYS 77 12.774 -5.410 -2.779 588 HG2 LYS 77 HG2 LYS 77 11.607 -7.532 -2.320 589 HG3 LYS 77 HG1 LYS 77 10.701 -7.321 -3.821 590 HD2 LYS 77 HD2 LYS 77 12.847 -7.249 -5.053 591 HD3 LYS 77 HD1 LYS 77 13.693 -7.590 -3.542 592 HE2 LYS 77 HE2 LYS 77 12.626 -9.725 -3.356 593 HE3 LYS 77 HE1 LYS 77 11.570 -9.368 -4.723 594 HZ1 LYS 77 HZ1 LYS 77 13.324 -10.767 -5.467 595 HZ2 LYS 77 HZ2 LYS 77 14.507 -9.767 -4.797 596 HZ3 LYS 77 HZ3 LYS 77 13.595 -9.230 -6.116 597 H THR 78 HN THR 78 11.838 -3.803 -0.342 598 HA THR 78 HA THR 78 11.556 -6.130 1.362 599 HB THR 78 HB THR 78 13.576 -4.424 1.207 600 HG1 THR 78 HG1 THR 78 14.271 -5.433 2.978 601 HG21 THR 78 HG21 THR 78 12.275 -2.453 1.887 602 HG22 THR 78 HG22 THR 78 13.566 -2.807 3.032 603 HG23 THR 78 HG23 THR 78 11.902 -3.235 3.423 604 H PHE 79 HN PHE 79 9.705 -3.424 0.612 605 HA PHE 79 HA PHE 79 8.465 -3.279 3.251 606 HB2 PHE 79 HB2 PHE 79 8.066 -1.598 0.776 607 HB3 PHE 79 HB1 PHE 79 7.192 -1.365 2.285 608 HD1 PHE 79 HD2 PHE 79 9.172 -1.578 4.339 609 HD2 PHE 79 HD1 PHE 79 9.512 0.148 0.471 610 HE1 PHE 79 HE2 PHE 79 10.973 -0.115 5.156 611 HE2 PHE 79 HE1 PHE 79 11.315 1.613 1.275 612 HZ PHE 79 HZ PHE 79 12.049 1.485 3.623 613 H ILE 80 HN ILE 80 7.990 -4.881 0.293 614 HA ILE 80 HA ILE 80 5.147 -4.864 0.262 615 HB ILE 80 HB ILE 80 6.450 -5.403 -1.758 616 HG12 ILE 80 HG12 ILE 80 4.589 -7.598 -0.830 617 HG13 ILE 80 HG11 ILE 80 4.113 -6.093 -1.607 618 HG21 ILE 80 HG21 ILE 80 8.224 -6.724 -0.712 619 HG22 ILE 80 HG22 ILE 80 7.471 -7.586 -2.055 620 HG23 ILE 80 HG23 ILE 80 7.067 -8.015 -0.392 621 HD11 ILE 80 HD11 ILE 80 4.021 -7.884 -3.192 622 HD12 ILE 80 HD12 ILE 80 5.688 -8.337 -2.842 623 HD13 ILE 80 HD13 ILE 80 5.338 -6.797 -3.629 624 H ILE 81 HN ILE 81 3.749 -5.940 1.460 625 HA ILE 81 HA ILE 81 4.777 -8.103 3.166 626 HB ILE 81 HB ILE 81 2.677 -7.722 4.517 627 HG12 ILE 81 HG12 ILE 81 2.546 -5.113 2.997 628 HG13 ILE 81 HG11 ILE 81 1.498 -6.485 2.656 629 HG21 ILE 81 HG21 ILE 81 4.620 -5.429 4.295 630 HG22 ILE 81 HG22 ILE 81 4.862 -6.908 5.221 631 HG23 ILE 81 HG23 ILE 81 3.589 -5.779 5.682 632 HD11 ILE 81 HD11 ILE 81 0.568 -6.365 4.886 633 HD12 ILE 81 HD12 ILE 81 0.413 -4.809 4.066 634 HD13 ILE 81 HD13 ILE 81 1.662 -5.041 5.291 635 H GLY 82 HN GLY 82 2.629 -7.391 0.581 636 HA2 GLY 82 HA2 GLY 82 2.170 -10.008 -0.133 637 HA3 GLY 82 HA1 GLY 82 0.856 -9.591 0.955 638 H GLU 83 HN GLU 83 -0.386 -10.109 -1.007 639 HA GLU 83 HA GLU 83 -0.780 -7.690 -2.615 640 HB2 GLU 83 HB2 GLU 83 -0.696 -10.511 -3.701 641 HB3 GLU 83 HB1 GLU 83 -1.155 -9.084 -4.617 642 HG2 GLU 83 HG2 GLU 83 1.077 -8.176 -4.368 643 HG3 GLU 83 HG1 GLU 83 1.546 -9.563 -3.386 644 H LEU 84 HN LEU 84 -2.888 -8.150 -4.006 645 HA LEU 84 HA LEU 84 -4.952 -8.887 -2.075 646 HB2 LEU 84 HB2 LEU 84 -5.031 -7.399 -4.700 647 HB3 LEU 84 HB1 LEU 84 -6.484 -7.893 -3.860 648 HG LEU 84 HG LEU 84 -6.234 -5.657 -3.268 649 HD11 LEU 84 HD11 LEU 84 -5.767 -5.609 -0.921 650 HD12 LEU 84 HD12 LEU 84 -4.812 -7.087 -1.034 651 HD13 LEU 84 HD13 LEU 84 -6.554 -7.139 -1.310 652 HD21 LEU 84 HD21 LEU 84 -4.034 -5.272 -4.189 653 HD22 LEU 84 HD22 LEU 84 -3.291 -6.180 -2.871 654 HD23 LEU 84 HD23 LEU 84 -4.105 -4.649 -2.540 655 H HIS 85 HN HIS 85 -6.945 -9.963 -3.159 656 HA HIS 85 HA HIS 85 -6.032 -12.461 -4.251 657 HB2 HIS 85 HB2 HIS 85 -8.903 -11.532 -4.062 658 HB3 HIS 85 HB1 HIS 85 -8.311 -13.187 -4.113 659 HD1 HIS 85 HD1 HIS 85 -9.302 -10.536 -1.849 660 HD2 HIS 85 HD2 HIS 85 -6.922 -13.947 -1.649 661 HE1 HIS 85 HE1 HIS 85 -9.020 -11.037 0.608 662 HE2 HIS 85 HE2 HIS 85 -7.648 -13.148 0.701 663 HA PRO 86 HA PRO 86 -6.440 -11.688 -8.589 664 HB2 PRO 86 HB2 PRO 86 -7.866 -13.912 -9.412 665 HB3 PRO 86 HB1 PRO 86 -6.116 -13.880 -9.158 666 HG2 PRO 86 HG2 PRO 86 -8.258 -14.879 -7.345 667 HG3 PRO 86 HG1 PRO 86 -6.641 -15.542 -7.653 668 HD2 PRO 86 HD2 PRO 86 -7.169 -14.155 -5.425 669 HD3 PRO 86 HD1 PRO 86 -5.601 -14.030 -6.248 670 H ASP 87 HN ASP 87 -9.256 -12.540 -6.712 671 HA ASP 87 HA ASP 87 -11.241 -11.763 -8.582 672 HB2 ASP 87 HB2 ASP 87 -11.541 -11.699 -5.578 673 HB3 ASP 87 HB1 ASP 87 -12.798 -11.949 -6.782 674 H ASP 88 HN ASP 88 -9.501 -10.099 -6.032 675 HA ASP 88 HA ASP 88 -11.020 -7.655 -6.341 676 HB2 ASP 88 HB2 ASP 88 -8.516 -8.153 -4.719 677 HB3 ASP 88 HB1 ASP 88 -9.590 -6.768 -4.580 678 H ARG 89 HN ARG 89 -8.838 -8.987 -8.297 679 HA ARG 89 HA ARG 89 -7.675 -6.375 -8.966 680 HB2 ARG 89 HB2 ARG 89 -6.246 -9.030 -8.914 681 HB3 ARG 89 HB1 ARG 89 -5.596 -7.594 -9.690 682 HG2 ARG 89 HG2 ARG 89 -5.879 -6.449 -7.425 683 HG3 ARG 89 HG1 ARG 89 -6.104 -8.073 -6.774 684 HD2 ARG 89 HD2 ARG 89 -3.730 -7.399 -8.474 685 HD3 ARG 89 HD1 ARG 89 -3.741 -7.040 -6.748 686 HE ARG 89 HE ARG 89 -4.481 -9.734 -7.207 687 HH11 ARG 89 HH11 ARG 89 -1.727 -7.553 -7.158 688 HH12 ARG 89 HH12 ARG 89 -0.532 -8.876 -6.842 689 HH21 ARG 89 HH21 ARG 89 -2.985 -11.448 -6.794 690 HH22 ARG 89 HH22 ARG 89 -1.238 -11.029 -6.634 691 H SER 90 HN SER 90 -8.433 -9.606 -10.260 692 HA SER 90 HA SER 90 -8.554 -8.374 -12.930 693 HB2 SER 90 HB2 SER 90 -8.311 -11.330 -12.441 694 HB3 SER 90 HB1 SER 90 -7.856 -10.404 -13.870 695 HG SER 90 HG SER 90 -6.205 -9.423 -12.563 696 H LYS 91 HN LYS 91 -10.683 -9.018 -10.614 697 HA LYS 91 HA LYS 91 -12.687 -10.000 -12.538 698 HB2 LYS 91 HB2 LYS 91 -12.498 -10.614 -9.593 699 HB3 LYS 91 HB1 LYS 91 -13.931 -10.933 -10.556 700 HG2 LYS 91 HG2 LYS 91 -12.471 -12.347 -12.046 701 HG3 LYS 91 HG1 LYS 91 -11.214 -12.185 -10.819 702 HD2 LYS 91 HD2 LYS 91 -12.858 -13.093 -9.151 703 HD3 LYS 91 HD1 LYS 91 -13.939 -13.435 -10.503 704 HE2 LYS 91 HE2 LYS 91 -11.132 -14.504 -10.247 705 HE3 LYS 91 HE1 LYS 91 -12.581 -15.387 -9.772 706 HZ1 LYS 91 HZ1 LYS 91 -11.779 -15.979 -11.998 707 HZ2 LYS 91 HZ2 LYS 91 -12.040 -14.390 -12.515 708 HZ3 LYS 91 HZ3 LYS 91 -13.346 -15.347 -12.032 709 H LEU 92 HN LEU 92 -12.565 -8.408 -9.348 710 HA LEU 92 HA LEU 92 -13.614 -6.583 -8.506 711 HB2 LEU 92 HB2 LEU 92 -13.410 -5.913 -11.395 712 HB3 LEU 92 HB1 LEU 92 -14.486 -4.933 -10.418 713 HG LEU 92 HG LEU 92 -12.329 -3.860 -10.593 714 HD11 LEU 92 HD11 LEU 92 -11.861 -3.472 -8.284 715 HD12 LEU 92 HD12 LEU 92 -12.590 -5.009 -7.826 716 HD13 LEU 92 HD13 LEU 92 -13.598 -3.711 -8.461 717 HD21 LEU 92 HD21 LEU 92 -11.183 -6.365 -9.374 718 HD22 LEU 92 HD22 LEU 92 -10.297 -4.879 -9.713 719 HD23 LEU 92 HD23 LEU 92 -10.965 -5.829 -11.041 720 H SER 93 HN SER 93 -15.130 -9.014 -9.351 721 HA SER 93 HA SER 93 -17.787 -7.925 -9.877 722 HB2 SER 93 HB2 SER 93 -17.180 -10.840 -9.477 723 HB3 SER 93 HB1 SER 93 -18.444 -10.095 -10.453 724 HG SER 93 HG SER 93 -16.382 -9.183 -11.578 725 H LYS 94 HN LYS 94 -17.382 -6.890 -7.628 726 HA LYS 94 HA LYS 94 -18.781 -8.554 -5.671 727 HB2 LYS 94 HB2 LYS 94 -16.187 -7.085 -5.163 728 HB3 LYS 94 HB1 LYS 94 -17.241 -7.658 -3.877 729 HG2 LYS 94 HG2 LYS 94 -16.834 -9.909 -4.392 730 HG3 LYS 94 HG1 LYS 94 -16.155 -9.517 -5.970 731 HD2 LYS 94 HD2 LYS 94 -14.349 -10.110 -4.531 732 HD3 LYS 94 HD1 LYS 94 -14.281 -8.362 -4.771 733 HE2 LYS 94 HE2 LYS 94 -15.277 -7.979 -2.617 734 HE3 LYS 94 HE1 LYS 94 -15.564 -9.702 -2.397 735 HZ1 LYS 94 HZ1 LYS 94 -13.336 -10.116 -2.063 736 HZ2 LYS 94 HZ2 LYS 94 -13.540 -8.631 -1.281 737 HZ3 LYS 94 HZ3 LYS 94 -12.828 -8.685 -2.818 738 HA PRO 95 HA PRO 95 -21.056 -4.760 -5.233 739 HB2 PRO 95 HB2 PRO 95 -22.398 -5.350 -2.947 740 HB3 PRO 95 HB1 PRO 95 -22.818 -6.056 -4.515 741 HG2 PRO 95 HG2 PRO 95 -21.254 -7.254 -2.277 742 HG3 PRO 95 HG1 PRO 95 -22.470 -8.001 -3.333 743 HD2 PRO 95 HD2 PRO 95 -19.799 -8.341 -3.686 744 HD3 PRO 95 HD1 PRO 95 -20.967 -8.379 -5.019 745 H MET 96 HN MET 96 -20.996 -2.842 -4.029 746 HA MET 96 HA MET 96 -18.971 -2.818 -1.887 747 HB2 MET 96 HB2 MET 96 -18.271 -1.617 -3.906 748 HB3 MET 96 HB1 MET 96 -19.707 -0.604 -3.811 749 HG2 MET 96 HG2 MET 96 -18.942 0.367 -1.748 750 HG3 MET 96 HG1 MET 96 -17.568 -0.733 -1.699 751 HE1 MET 96 HE1 MET 96 -19.068 1.214 -4.798 752 HE2 MET 96 HE2 MET 96 -18.091 2.683 -4.756 753 HE3 MET 96 HE3 MET 96 -19.218 2.333 -3.443 754 H GLU 97 HN GLU 97 -21.663 -0.766 -2.989 755 HA GLU 97 HA GLU 97 -23.400 0.220 -1.928 756 HB2 GLU 97 HB2 GLU 97 -23.552 -2.163 -0.889 757 HB3 GLU 97 HB1 GLU 97 -22.904 -1.393 0.551 758 HG2 GLU 97 HG2 GLU 97 -24.986 -0.894 1.095 759 HG3 GLU 97 HG1 GLU 97 -24.973 0.268 -0.233 760 H THR 98 HN THR 98 -22.840 2.275 -1.606 761 HA THR 98 HA THR 98 -21.690 2.988 0.976 762 HB THR 98 HB THR 98 -19.810 2.796 -0.704 763 HG1 THR 98 HG1 THR 98 -19.278 4.073 0.966 764 HG21 THR 98 HG21 THR 98 -21.058 5.279 -1.873 765 HG22 THR 98 HG22 THR 98 -21.076 3.690 -2.634 766 HG23 THR 98 HG23 THR 98 -19.546 4.522 -2.368 767 H LEU 99 HN LEU 99 -21.728 5.408 1.276 768 HA LEU 99 HA LEU 99 -22.942 7.291 1.553 769 HB2 LEU 99 HB2 LEU 99 -23.366 6.829 -1.395 770 HB3 LEU 99 HB1 LEU 99 -23.918 8.272 -0.568 771 HG LEU 99 HG LEU 99 -21.041 7.376 -0.776 772 HD11 LEU 99 HD11 LEU 99 -21.897 8.117 -2.914 773 HD12 LEU 99 HD12 LEU 99 -20.782 9.311 -2.252 774 HD13 LEU 99 HD13 LEU 99 -22.521 9.594 -2.175 775 HD21 LEU 99 HD21 LEU 99 -21.344 8.581 1.264 776 HD22 LEU 99 HD22 LEU 99 -22.310 9.814 0.452 777 HD23 LEU 99 HD23 LEU 99 -20.588 9.669 0.099 778 H ILE 100 HN ILE 100 -24.271 5.220 2.551 779 HA ILE 100 HA ILE 100 -27.044 5.505 1.605 780 HB ILE 100 HB ILE 100 -27.442 3.474 3.109 781 HG12 ILE 100 HG12 ILE 100 -24.450 3.167 2.785 782 HG13 ILE 100 HG11 ILE 100 -25.215 3.697 4.277 783 HG21 ILE 100 HG21 ILE 100 -25.752 3.254 0.627 784 HG22 ILE 100 HG22 ILE 100 -27.511 3.320 0.713 785 HG23 ILE 100 HG23 ILE 100 -26.649 1.921 1.351 786 HD11 ILE 100 HD11 ILE 100 -24.621 1.316 4.292 787 HD12 ILE 100 HD12 ILE 100 -25.711 1.052 2.932 788 HD13 ILE 100 HD13 ILE 100 -26.353 1.581 4.487 789 H THR 101 HN THR 101 -25.434 7.301 3.442 790 HA THR 101 HA THR 101 -27.547 7.699 5.382 791 HB THR 101 HB THR 101 -24.717 7.376 6.401 792 HG1 THR 101 HG1 THR 101 -26.694 5.489 5.927 793 HG21 THR 101 HG21 THR 101 -25.790 7.356 8.605 794 HG22 THR 101 HG22 THR 101 -27.369 7.553 7.844 795 HG23 THR 101 HG23 THR 101 -26.171 8.840 7.732 796 H THR 102 HN THR 102 -27.838 9.844 5.725 797 HA THR 102 HA THR 102 -26.172 11.705 4.324 798 HB THR 102 HB THR 102 -27.936 13.048 6.132 799 HG1 THR 102 HG1 THR 102 -29.883 12.049 5.625 800 HG21 THR 102 HG21 THR 102 -27.225 13.854 3.929 801 HG22 THR 102 HG22 THR 102 -28.984 13.800 4.057 802 HG23 THR 102 HG23 THR 102 -28.124 12.546 3.161 803 H VAL 103 HN VAL 103 -24.222 12.152 5.134 804 HA VAL 103 HA VAL 103 -23.989 12.641 8.033 805 HB VAL 103 HB VAL 103 -21.547 12.218 7.726 806 HG11 VAL 103 HG11 VAL 103 -23.357 9.953 6.897 807 HG12 VAL 103 HG12 VAL 103 -23.061 10.482 8.551 808 HG13 VAL 103 HG13 VAL 103 -21.748 9.793 7.599 809 HG21 VAL 103 HG21 VAL 103 -20.787 11.080 5.701 810 HG22 VAL 103 HG22 VAL 103 -21.388 12.700 5.342 811 HG23 VAL 103 HG23 VAL 103 -22.384 11.289 4.981 812 H ASP 104 HN ASP 104 -24.705 14.439 5.670 813 HA ASP 104 HA ASP 104 -22.735 16.541 6.259 814 HB2 ASP 104 HB2 ASP 104 -22.730 17.284 4.031 815 HB3 ASP 104 HB1 ASP 104 -22.675 15.532 3.881 816 HHB HEM 400 HB HEM 400 11.321 4.839 -1.749 817 HHC HEM 400 HC HEM 400 5.055 5.377 -2.403 818 HHD HEM 400 HD HEM 400 5.778 11.288 -4.558 819 HMA HEM 400 HMA1 HEM 400 13.616 5.133 -2.769 820 HMAA HEM 400 HMA2 HEM 400 13.616 5.864 -1.166 821 HMAB HEM 400 HMA3 HEM 400 14.678 6.504 -2.417 822 HAA HEM 400 HAA1 HEM 400 14.864 8.515 -2.850 823 HAAA HEM 400 HAA2 HEM 400 13.997 9.962 -3.342 824 HBA HEM 400 HBA1 HEM 400 14.679 9.620 -5.449 825 HBAA HEM 400 HBA2 HEM 400 13.783 8.102 -5.481 826 HMB HEM 400 HMB1 HEM 400 9.749 2.296 -1.835 827 HMBA HEM 400 HMB2 HEM 400 8.845 2.439 -0.323 828 HMBB HEM 400 HMB3 HEM 400 10.372 3.301 -0.538 829 HAB HEM 400 HAB HEM 400 6.567 2.241 -1.529 830 HBB HEM 400 HBB1 HEM 400 4.884 4.667 -0.510 831 HBBA HEM 400 HBB2 HEM 400 4.424 2.802 -0.520 832 HMC HEM 400 HMC1 HEM 400 2.424 7.508 -2.459 833 HMCA HEM 400 HMC2 HEM 400 3.238 6.007 -2.906 834 HMCB HEM 400 HMC3 HEM 400 2.494 7.024 -4.143 835 HAC HEM 400 HAC HEM 400 3.506 10.525 -5.063 836 HBC HEM 400 HBC1 HEM 400 2.034 9.522 -2.491 837 HBCA HEM 400 HBC2 HEM 400 1.438 10.792 -3.800 838 HMD HEM 400 HMD1 HEM 400 6.645 12.923 -5.549 839 HMDA HEM 400 HMD2 HEM 400 8.170 13.684 -6.012 840 HMDB HEM 400 HMD3 HEM 400 7.525 13.892 -4.382 841 HAD HEM 400 HAD1 HEM 400 10.505 13.809 -4.535 842 HADA HEM 400 HAD2 HEM 400 11.712 12.545 -4.708 843 HBD HEM 400 HBD1 HEM 400 10.897 14.212 -6.723 844 HBDA HEM 400 HBD2 HEM 400 9.920 12.777 -7.021 845 HHA HEM 400 HA HEM 400 12.072 10.628 -4.201 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 22.029 -13.543 16.623 2 H2 MET 1 HT2 MET 1 22.960 -12.962 17.908 3 H3 MET 1 HT3 MET 1 22.283 -11.883 16.797 4 HA MET 1 HA MET 1 20.771 -13.626 18.647 5 HB2 MET 1 HB2 MET 1 21.640 -10.770 18.785 6 HB3 MET 1 HB1 MET 1 20.078 -11.207 19.461 7 HG2 MET 1 HG2 MET 1 21.792 -11.207 21.168 8 HG3 MET 1 HG1 MET 1 21.153 -12.831 20.923 9 HE1 MET 1 HE1 MET 1 23.871 -12.042 22.453 10 HE2 MET 1 HE2 MET 1 24.962 -13.308 21.884 11 HE3 MET 1 HE3 MET 1 23.303 -13.707 22.331 12 H ALA 2 HN ALA 2 20.267 -10.506 17.002 13 HA ALA 2 HA ALA 2 17.667 -11.521 16.086 14 HB1 ALA 2 HB1 ALA 2 17.591 -9.520 17.495 15 HB2 ALA 2 HB2 ALA 2 16.996 -9.193 15.869 16 HB3 ALA 2 HB3 ALA 2 18.611 -8.668 16.336 17 H ALA 3 HN ALA 3 18.017 -12.468 14.162 18 HA ALA 3 HA ALA 3 18.709 -10.763 11.933 19 HB1 ALA 3 HB1 ALA 3 20.912 -11.589 12.603 20 HB2 ALA 3 HB2 ALA 3 20.435 -12.229 11.030 21 HB3 ALA 3 HB3 ALA 3 20.332 -13.249 12.465 22 H GLN 4 HN GLN 4 16.844 -11.063 10.907 23 HA GLN 4 HA GLN 4 16.247 -13.759 9.960 24 HB2 GLN 4 HB2 GLN 4 13.820 -13.419 10.443 25 HB3 GLN 4 HB1 GLN 4 14.814 -13.572 11.886 26 HG2 GLN 4 HG2 GLN 4 14.828 -10.902 11.596 27 HG3 GLN 4 HG1 GLN 4 13.259 -11.279 10.886 28 HE21 GLN 4 HE21 GLN 4 12.145 -10.298 12.547 29 HE22 GLN 4 HE22 GLN 4 12.038 -10.989 14.127 30 H SER 5 HN SER 5 15.447 -13.818 7.912 31 HA SER 5 HA SER 5 14.451 -11.385 6.675 32 HB2 SER 5 HB2 SER 5 16.793 -12.856 5.450 33 HB3 SER 5 HB1 SER 5 16.048 -11.365 4.873 34 HG SER 5 HG SER 5 16.682 -10.787 7.286 35 H ASP 6 HN ASP 6 12.495 -12.363 6.337 36 HA ASP 6 HA ASP 6 12.417 -14.336 4.198 37 HB2 ASP 6 HB2 ASP 6 12.421 -15.706 6.236 38 HB3 ASP 6 HB1 ASP 6 11.056 -14.790 6.863 39 H LYS 7 HN LYS 7 10.741 -13.999 2.843 40 HA LYS 7 HA LYS 7 8.651 -12.129 3.738 41 HB2 LYS 7 HB2 LYS 7 9.962 -12.217 1.014 42 HB3 LYS 7 HB1 LYS 7 8.624 -11.171 1.466 43 HG2 LYS 7 HG2 LYS 7 11.363 -11.109 2.718 44 HG3 LYS 7 HG1 LYS 7 10.797 -10.016 1.455 45 HD2 LYS 7 HD2 LYS 7 9.124 -9.106 2.902 46 HD3 LYS 7 HD1 LYS 7 9.451 -10.329 4.129 47 HE2 LYS 7 HE2 LYS 7 11.813 -9.389 4.218 48 HE3 LYS 7 HE1 LYS 7 11.197 -8.028 3.283 49 HZ1 LYS 7 HZ1 LYS 7 10.102 -8.904 5.897 50 HZ2 LYS 7 HZ2 LYS 7 9.655 -7.520 5.034 51 HZ3 LYS 7 HZ3 LYS 7 11.202 -7.642 5.699 52 H ASP 8 HN ASP 8 6.810 -13.191 3.839 53 HA ASP 8 HA ASP 8 6.197 -15.187 1.764 54 HB2 ASP 8 HB2 ASP 8 6.258 -16.123 4.041 55 HB3 ASP 8 HB1 ASP 8 5.070 -14.936 4.563 56 H VAL 9 HN VAL 9 4.543 -14.766 0.432 57 HA VAL 9 HA VAL 9 3.323 -12.197 0.519 58 HB VAL 9 HB VAL 9 3.875 -13.195 -1.621 59 HG11 VAL 9 HG11 VAL 9 1.915 -15.336 -0.836 60 HG12 VAL 9 HG12 VAL 9 3.609 -15.517 -1.293 61 HG13 VAL 9 HG13 VAL 9 2.415 -15.056 -2.504 62 HG21 VAL 9 HG21 VAL 9 2.105 -11.583 -1.647 63 HG22 VAL 9 HG22 VAL 9 0.918 -12.811 -1.204 64 HG23 VAL 9 HG23 VAL 9 1.704 -12.873 -2.781 65 H LYS 10 HN LYS 10 1.666 -11.626 1.693 66 HA LYS 10 HA LYS 10 -0.333 -13.656 2.431 67 HB2 LYS 10 HB2 LYS 10 0.930 -11.434 3.861 68 HB3 LYS 10 HB1 LYS 10 -0.823 -11.460 4.018 69 HG2 LYS 10 HG2 LYS 10 0.650 -14.004 4.447 70 HG3 LYS 10 HG1 LYS 10 0.755 -12.758 5.690 71 HD2 LYS 10 HD2 LYS 10 -1.622 -12.717 5.953 72 HD3 LYS 10 HD1 LYS 10 -1.844 -13.771 4.557 73 HE2 LYS 10 HE2 LYS 10 -0.256 -14.656 6.941 74 HE3 LYS 10 HE1 LYS 10 -2.013 -14.791 6.913 75 HZ1 LYS 10 HZ1 LYS 10 -1.816 -16.121 4.883 76 HZ2 LYS 10 HZ2 LYS 10 -1.009 -16.835 6.184 77 HZ3 LYS 10 HZ3 LYS 10 -0.128 -16.032 4.986 78 H TYR 11 HN TYR 11 -2.158 -13.557 1.319 79 HA TYR 11 HA TYR 11 -2.844 -11.171 -0.172 80 HB2 TYR 11 HB2 TYR 11 -3.973 -13.960 -0.067 81 HB3 TYR 11 HB1 TYR 11 -4.815 -12.663 -0.906 82 HD1 TYR 11 HD2 TYR 11 -1.635 -14.577 -0.822 83 HD2 TYR 11 HD1 TYR 11 -4.164 -12.005 -3.079 84 HE1 TYR 11 HE2 TYR 11 -0.261 -14.989 -2.820 85 HE2 TYR 11 HE1 TYR 11 -2.798 -12.409 -5.083 86 HH TYR 11 HH TYR 11 -0.365 -13.090 -5.544 87 H TYR 12 HN TYR 12 -3.385 -9.705 1.454 88 HA TYR 12 HA TYR 12 -5.435 -10.294 3.374 89 HB2 TYR 12 HB2 TYR 12 -4.204 -7.647 2.574 90 HB3 TYR 12 HB1 TYR 12 -5.251 -7.903 3.964 91 HD1 TYR 12 HD2 TYR 12 -4.426 -9.610 5.738 92 HD2 TYR 12 HD1 TYR 12 -1.901 -7.842 2.802 93 HE1 TYR 12 HE2 TYR 12 -2.461 -10.132 7.122 94 HE2 TYR 12 HE1 TYR 12 0.069 -8.358 4.179 95 HH TYR 12 HH TYR 12 -0.031 -10.476 6.810 96 H THR 13 HN THR 13 -7.485 -9.070 3.502 97 HA THR 13 HA THR 13 -8.720 -8.967 0.878 98 HB THR 13 HB THR 13 -10.712 -8.232 2.579 99 HG1 THR 13 HG1 THR 13 -10.119 -8.645 4.561 100 HG21 THR 13 HG21 THR 13 -11.384 -10.590 2.546 101 HG22 THR 13 HG22 THR 13 -9.760 -11.050 2.038 102 HG23 THR 13 HG23 THR 13 -10.776 -10.080 0.973 103 H LEU 14 HN LEU 14 -10.138 -7.146 0.274 104 HA LEU 14 HA LEU 14 -8.743 -4.712 0.235 105 HB2 LEU 14 HB2 LEU 14 -11.486 -5.573 -0.555 106 HB3 LEU 14 HB1 LEU 14 -11.140 -3.856 -0.479 107 HG LEU 14 HG LEU 14 -9.205 -4.283 -2.045 108 HD11 LEU 14 HD11 LEU 14 -9.313 -6.333 -3.388 109 HD12 LEU 14 HD12 LEU 14 -10.575 -6.951 -2.319 110 HD13 LEU 14 HD13 LEU 14 -8.950 -6.662 -1.691 111 HD21 LEU 14 HD21 LEU 14 -10.598 -4.306 -4.012 112 HD22 LEU 14 HD22 LEU 14 -11.366 -3.336 -2.756 113 HD23 LEU 14 HD23 LEU 14 -11.947 -4.968 -3.089 114 H GLU 15 HN GLU 15 -11.606 -5.699 2.071 115 HA GLU 15 HA GLU 15 -11.916 -3.207 3.420 116 HB2 GLU 15 HB2 GLU 15 -13.437 -4.537 4.925 117 HB3 GLU 15 HB1 GLU 15 -13.838 -4.591 3.215 118 HG2 GLU 15 HG2 GLU 15 -12.111 -6.743 4.317 119 HG3 GLU 15 HG1 GLU 15 -13.827 -6.758 4.720 120 H GLU 16 HN GLU 16 -9.610 -5.558 3.723 121 HA GLU 16 HA GLU 16 -9.217 -5.206 6.592 122 HB2 GLU 16 HB2 GLU 16 -9.086 -7.467 5.752 123 HB3 GLU 16 HB1 GLU 16 -7.897 -6.994 4.550 124 HG2 GLU 16 HG2 GLU 16 -6.253 -6.601 6.249 125 HG3 GLU 16 HG1 GLU 16 -7.445 -6.866 7.520 126 H ILE 17 HN ILE 17 -7.576 -4.663 3.502 127 HA ILE 17 HA ILE 17 -5.289 -3.463 4.734 128 HB ILE 17 HB ILE 17 -4.672 -2.785 2.406 129 HG12 ILE 17 HG12 ILE 17 -7.129 -4.387 1.659 130 HG13 ILE 17 HG11 ILE 17 -6.989 -2.637 1.516 131 HG21 ILE 17 HG21 ILE 17 -4.271 -5.114 1.640 132 HG22 ILE 17 HG22 ILE 17 -5.318 -5.677 2.941 133 HG23 ILE 17 HG23 ILE 17 -3.818 -4.831 3.320 134 HD11 ILE 17 HD11 ILE 17 -6.661 -3.713 -0.627 135 HD12 ILE 17 HD12 ILE 17 -5.346 -4.681 0.040 136 HD13 ILE 17 HD13 ILE 17 -5.172 -2.932 -0.096 137 H LYS 18 HN LYS 18 -8.187 -2.188 3.096 138 HA LYS 18 HA LYS 18 -7.255 0.518 3.231 139 HB2 LYS 18 HB2 LYS 18 -9.324 1.163 2.291 140 HB3 LYS 18 HB1 LYS 18 -8.902 -0.369 1.540 141 HG2 LYS 18 HG2 LYS 18 -10.612 -1.498 2.557 142 HG3 LYS 18 HG1 LYS 18 -10.659 -0.401 3.940 143 HD2 LYS 18 HD2 LYS 18 -12.624 -0.227 2.391 144 HD3 LYS 18 HD1 LYS 18 -11.758 1.286 2.660 145 HE2 LYS 18 HE2 LYS 18 -10.495 0.821 0.539 146 HE3 LYS 18 HE1 LYS 18 -11.607 -0.518 0.255 147 HZ1 LYS 18 HZ1 LYS 18 -12.569 2.238 0.708 148 HZ2 LYS 18 HZ2 LYS 18 -13.397 0.937 0.014 149 HZ3 LYS 18 HZ3 LYS 18 -12.142 1.688 -0.833 150 H LYS 19 HN LYS 19 -8.327 -1.513 5.594 151 HA LYS 19 HA LYS 19 -9.394 0.717 7.190 152 HB2 LYS 19 HB2 LYS 19 -10.861 -1.329 6.824 153 HB3 LYS 19 HB1 LYS 19 -9.705 -2.223 7.800 154 HG2 LYS 19 HG2 LYS 19 -11.544 -1.592 9.184 155 HG3 LYS 19 HG1 LYS 19 -10.131 -0.652 9.666 156 HD2 LYS 19 HD2 LYS 19 -11.921 0.876 9.646 157 HD3 LYS 19 HD1 LYS 19 -11.035 1.190 8.155 158 HE2 LYS 19 HE2 LYS 19 -13.390 1.191 7.675 159 HE3 LYS 19 HE1 LYS 19 -12.668 -0.244 6.950 160 HZ1 LYS 19 HZ1 LYS 19 -14.772 -0.709 8.079 161 HZ2 LYS 19 HZ2 LYS 19 -14.104 -0.199 9.546 162 HZ3 LYS 19 HZ3 LYS 19 -13.486 -1.564 8.766 163 H HIS 20 HN HIS 20 -6.635 -0.783 6.558 164 HA HIS 20 HA HIS 20 -5.715 -1.070 9.312 165 HB2 HIS 20 HB2 HIS 20 -4.963 -2.225 6.773 166 HB3 HIS 20 HB1 HIS 20 -3.561 -1.520 7.567 167 HD1 HIS 20 HD1 HIS 20 -6.106 -4.245 7.940 168 HD2 HIS 20 HD2 HIS 20 -2.707 -2.837 9.884 169 HE1 HIS 20 HE1 HIS 20 -5.472 -6.040 9.584 170 HE2 HIS 20 HE2 HIS 20 -3.388 -5.193 10.716 171 H ASN 21 HN ASN 21 -5.847 1.266 6.910 172 HA ASN 21 HA ASN 21 -3.391 2.553 7.060 173 HB2 ASN 21 HB2 ASN 21 -4.786 4.670 6.525 174 HB3 ASN 21 HB1 ASN 21 -4.734 3.360 5.355 175 HD21 ASN 21 HD21 ASN 21 -6.636 4.167 4.447 176 HD22 ASN 21 HD22 ASN 21 -8.177 3.891 5.189 177 H HIS 22 HN HIS 22 -2.436 2.912 8.898 178 HA HIS 22 HA HIS 22 -3.604 4.848 10.731 179 HB2 HIS 22 HB2 HIS 22 -2.719 2.066 11.493 180 HB3 HIS 22 HB1 HIS 22 -2.689 3.383 12.658 181 HD1 HIS 22 HD1 HIS 22 -4.816 0.776 11.426 182 HD2 HIS 22 HD2 HIS 22 -5.420 4.600 12.934 183 HE1 HIS 22 HE1 HIS 22 -7.241 0.863 12.088 184 HE2 HIS 22 HE2 HIS 22 -7.563 3.157 13.082 185 H SER 23 HN SER 23 -1.847 5.531 12.368 186 HA SER 23 HA SER 23 0.421 6.388 10.924 187 HB2 SER 23 HB2 SER 23 1.064 6.679 13.610 188 HB3 SER 23 HB1 SER 23 0.223 7.865 12.611 189 HG SER 23 HG SER 23 -0.833 7.167 14.645 190 H LYS 24 HN LYS 24 -0.240 3.544 12.722 191 HA LYS 24 HA LYS 24 2.603 2.784 12.669 192 HB2 LYS 24 HB2 LYS 24 1.905 1.049 14.377 193 HB3 LYS 24 HB1 LYS 24 1.836 2.721 14.914 194 HG2 LYS 24 HG2 LYS 24 -0.673 2.497 14.102 195 HG3 LYS 24 HG1 LYS 24 -0.361 0.791 14.426 196 HD2 LYS 24 HD2 LYS 24 0.325 1.333 16.696 197 HD3 LYS 24 HD1 LYS 24 0.080 3.049 16.378 198 HE2 LYS 24 HE2 LYS 24 -2.326 2.499 15.867 199 HE3 LYS 24 HE1 LYS 24 -2.004 0.876 16.476 200 HZ1 LYS 24 HZ1 LYS 24 -1.341 1.887 18.599 201 HZ2 LYS 24 HZ2 LYS 24 -2.948 2.217 18.207 202 HZ3 LYS 24 HZ3 LYS 24 -1.772 3.410 18.004 203 H SER 25 HN SER 25 0.267 2.596 10.648 204 HA SER 25 HA SER 25 1.046 0.042 9.574 205 HB2 SER 25 HB2 SER 25 -1.882 0.463 10.227 206 HB3 SER 25 HB1 SER 25 -1.162 -0.955 9.468 207 HG SER 25 HG SER 25 0.160 -0.671 11.677 208 H THR 26 HN THR 26 1.632 2.322 8.412 209 HA THR 26 HA THR 26 -0.459 3.237 6.639 210 HB THR 26 HB THR 26 2.483 3.884 6.441 211 HG1 THR 26 HG1 THR 26 0.898 4.370 8.488 212 HG21 THR 26 HG21 THR 26 1.651 5.976 5.439 213 HG22 THR 26 HG22 THR 26 -0.004 5.383 5.589 214 HG23 THR 26 HG23 THR 26 1.135 4.562 4.520 215 H TRP 27 HN TRP 27 -1.059 1.512 5.382 216 HA TRP 27 HA TRP 27 0.977 0.227 3.717 217 HB2 TRP 27 HB2 TRP 27 -1.913 -0.467 4.276 218 HB3 TRP 27 HB1 TRP 27 -0.929 -1.311 3.087 219 HD1 TRP 27 HD1 TRP 27 1.420 -0.693 5.714 220 HE1 TRP 27 HE1 TRP 27 1.619 -2.676 7.339 221 HE3 TRP 27 HE3 TRP 27 -2.838 -3.203 4.418 222 HZ2 TRP 27 HZ2 TRP 27 0.137 -5.010 7.988 223 HZ3 TRP 27 HZ3 TRP 27 -3.378 -5.301 5.582 224 HH2 TRP 27 HH2 TRP 27 -1.922 -6.187 7.330 225 H LEU 28 HN LEU 28 1.067 0.508 1.549 226 HA LEU 28 HA LEU 28 -1.083 2.082 0.293 227 HB2 LEU 28 HB2 LEU 28 1.879 2.474 0.151 228 HB3 LEU 28 HB1 LEU 28 0.891 2.893 -1.236 229 HG LEU 28 HG LEU 28 -0.465 4.207 0.686 230 HD11 LEU 28 HD11 LEU 28 1.029 3.561 2.467 231 HD12 LEU 28 HD12 LEU 28 1.175 5.292 2.160 232 HD13 LEU 28 HD13 LEU 28 2.413 4.183 1.566 233 HD21 LEU 28 HD21 LEU 28 0.643 6.210 -0.078 234 HD22 LEU 28 HD22 LEU 28 0.418 5.109 -1.438 235 HD23 LEU 28 HD23 LEU 28 2.003 5.263 -0.681 236 H ILE 29 HN ILE 29 -1.682 1.488 -1.760 237 HA ILE 29 HA ILE 29 -0.684 -1.127 -2.618 238 HB ILE 29 HB ILE 29 -3.102 0.387 -3.609 239 HG12 ILE 29 HG12 ILE 29 -3.123 -2.019 -1.800 240 HG13 ILE 29 HG11 ILE 29 -3.079 -0.382 -1.153 241 HG21 ILE 29 HG21 ILE 29 -3.762 -1.759 -4.575 242 HG22 ILE 29 HG22 ILE 29 -2.252 -2.473 -4.011 243 HG23 ILE 29 HG23 ILE 29 -2.224 -1.198 -5.229 244 HD11 ILE 29 HD11 ILE 29 -5.221 -1.559 -2.905 245 HD12 ILE 29 HD12 ILE 29 -5.170 0.114 -2.356 246 HD13 ILE 29 HD13 ILE 29 -5.344 -1.191 -1.185 247 H LEU 30 HN LEU 30 0.945 -1.073 -3.992 248 HA LEU 30 HA LEU 30 0.865 0.892 -6.197 249 HB2 LEU 30 HB2 LEU 30 3.337 -0.296 -4.928 250 HB3 LEU 30 HB1 LEU 30 3.300 0.884 -6.222 251 HG LEU 30 HG LEU 30 2.273 1.400 -3.433 252 HD11 LEU 30 HD11 LEU 30 4.312 2.706 -3.124 253 HD12 LEU 30 HD12 LEU 30 4.889 2.183 -4.707 254 HD13 LEU 30 HD13 LEU 30 4.677 1.004 -3.413 255 HD21 LEU 30 HD21 LEU 30 2.769 3.207 -5.797 256 HD22 LEU 30 HD22 LEU 30 2.400 3.763 -4.165 257 HD23 LEU 30 HD23 LEU 30 1.211 2.819 -5.061 258 H HIS 31 HN HIS 31 0.377 -0.129 -8.026 259 HA HIS 31 HA HIS 31 0.329 -1.653 -9.717 260 HB2 HIS 31 HB2 HIS 31 2.956 -2.244 -8.441 261 HB3 HIS 31 HB1 HIS 31 2.318 -3.445 -9.556 262 HD1 HIS 31 HD1 HIS 31 2.891 -3.070 -11.944 263 HD2 HIS 31 HD2 HIS 31 3.111 0.433 -9.723 264 HE1 HIS 31 HE1 HIS 31 3.710 -1.315 -13.537 265 HE2 HIS 31 HE2 HIS 31 3.553 0.840 -12.242 266 H HIS 32 HN HIS 32 -1.111 -2.061 -7.306 267 HA HIS 32 HA HIS 32 -2.589 -3.547 -6.452 268 HB2 HIS 32 HB2 HIS 32 -1.425 -5.486 -8.455 269 HB3 HIS 32 HB1 HIS 32 -2.839 -5.803 -7.457 270 HD1 HIS 32 HD1 HIS 32 -2.551 -5.470 -10.722 271 HD2 HIS 32 HD2 HIS 32 -4.351 -2.891 -7.997 272 HE1 HIS 32 HE1 HIS 32 -4.206 -4.117 -12.053 273 HE2 HIS 32 HE2 HIS 32 -5.393 -2.686 -10.355 274 H LYS 33 HN LYS 33 0.402 -3.347 -5.776 275 HA LYS 33 HA LYS 33 0.607 -5.777 -4.130 276 HB2 LYS 33 HB2 LYS 33 2.746 -3.764 -4.869 277 HB3 LYS 33 HB1 LYS 33 2.996 -5.233 -3.934 278 HG2 LYS 33 HG2 LYS 33 1.876 -5.378 -6.702 279 HG3 LYS 33 HG1 LYS 33 3.611 -5.179 -6.446 280 HD2 LYS 33 HD2 LYS 33 3.454 -7.185 -4.892 281 HD3 LYS 33 HD1 LYS 33 1.845 -7.441 -5.565 282 HE2 LYS 33 HE2 LYS 33 2.689 -7.850 -7.717 283 HE3 LYS 33 HE1 LYS 33 4.268 -7.175 -7.316 284 HZ1 LYS 33 HZ1 LYS 33 3.142 -9.661 -6.140 285 HZ2 LYS 33 HZ2 LYS 33 4.694 -9.030 -5.877 286 HZ3 LYS 33 HZ3 LYS 33 4.269 -9.611 -7.405 287 H VAL 34 HN VAL 34 0.901 -5.569 -1.897 288 HA VAL 34 HA VAL 34 0.189 -2.933 -0.826 289 HB VAL 34 HB VAL 34 0.286 -5.523 0.722 290 HG11 VAL 34 HG11 VAL 34 -1.197 -4.387 2.257 291 HG12 VAL 34 HG12 VAL 34 -1.251 -2.974 1.204 292 HG13 VAL 34 HG13 VAL 34 0.255 -3.418 2.005 293 HG21 VAL 34 HG21 VAL 34 -1.231 -5.810 -1.180 294 HG22 VAL 34 HG22 VAL 34 -2.099 -4.349 -0.709 295 HG23 VAL 34 HG23 VAL 34 -2.108 -5.760 0.349 296 H TYR 35 HN TYR 35 1.778 -1.690 -0.131 297 HA TYR 35 HA TYR 35 4.207 -2.989 0.913 298 HB2 TYR 35 HB2 TYR 35 3.849 -0.371 -0.543 299 HB3 TYR 35 HB1 TYR 35 5.316 -0.771 0.343 300 HD1 TYR 35 HD2 TYR 35 6.557 -2.906 -0.336 301 HD2 TYR 35 HD1 TYR 35 3.572 -1.084 -2.756 302 HE1 TYR 35 HE2 TYR 35 7.426 -4.105 -2.300 303 HE2 TYR 35 HE1 TYR 35 4.429 -2.279 -4.726 304 HH TYR 35 HH TYR 35 6.642 -3.300 -5.442 305 H ASP 36 HN ASP 36 4.937 -2.487 2.887 306 HA ASP 36 HA ASP 36 3.375 -0.557 4.479 307 HB2 ASP 36 HB2 ASP 36 3.331 -2.913 5.274 308 HB3 ASP 36 HB1 ASP 36 5.083 -2.880 5.417 309 H LEU 37 HN LEU 37 4.395 1.326 4.579 310 HA LEU 37 HA LEU 37 7.253 1.293 5.242 311 HB2 LEU 37 HB2 LEU 37 7.832 2.883 3.670 312 HB3 LEU 37 HB1 LEU 37 6.666 1.918 2.792 313 HG LEU 37 HG LEU 37 5.923 4.492 4.166 314 HD11 LEU 37 HD11 LEU 37 6.877 4.053 1.342 315 HD12 LEU 37 HD12 LEU 37 7.634 5.054 2.582 316 HD13 LEU 37 HD13 LEU 37 6.070 5.516 1.910 317 HD21 LEU 37 HD21 LEU 37 4.068 4.424 2.524 318 HD22 LEU 37 HD22 LEU 37 4.041 3.087 3.672 319 HD23 LEU 37 HD23 LEU 37 4.613 2.825 2.024 320 H THR 38 HN THR 38 5.026 1.388 6.942 321 HA THR 38 HA THR 38 4.219 3.939 7.724 322 HB THR 38 HB THR 38 3.440 1.516 8.434 323 HG1 THR 38 HG1 THR 38 3.295 3.880 10.020 324 HG21 THR 38 HG21 THR 38 5.141 2.354 10.785 325 HG22 THR 38 HG22 THR 38 5.476 0.990 9.720 326 HG23 THR 38 HG23 THR 38 4.034 0.981 10.736 327 H LYS 39 HN LYS 39 7.295 2.498 8.075 328 HA LYS 39 HA LYS 39 8.011 4.470 10.135 329 HB2 LYS 39 HB2 LYS 39 9.082 1.742 9.511 330 HB3 LYS 39 HB1 LYS 39 10.114 2.921 10.312 331 HG2 LYS 39 HG2 LYS 39 7.527 1.750 11.299 332 HG3 LYS 39 HG1 LYS 39 9.135 1.612 12.015 333 HD2 LYS 39 HD2 LYS 39 9.086 4.121 12.307 334 HD3 LYS 39 HD1 LYS 39 7.379 4.055 11.872 335 HE2 LYS 39 HE2 LYS 39 6.913 2.631 13.765 336 HE3 LYS 39 HE1 LYS 39 8.629 2.550 14.165 337 HZ1 LYS 39 HZ1 LYS 39 7.521 4.150 15.566 338 HZ2 LYS 39 HZ2 LYS 39 6.938 4.992 14.223 339 HZ3 LYS 39 HZ3 LYS 39 8.596 4.953 14.539 340 H PHE 40 HN PHE 40 8.008 4.220 6.944 341 HA PHE 40 HA PHE 40 10.662 5.458 6.588 342 HB2 PHE 40 HB2 PHE 40 10.003 3.314 5.299 343 HB3 PHE 40 HB1 PHE 40 8.948 4.364 4.364 344 HD1 PHE 40 HD1 PHE 40 12.493 3.984 5.412 345 HD2 PHE 40 HD2 PHE 40 9.767 5.453 2.497 346 HE1 PHE 40 HE1 PHE 40 14.382 4.553 3.938 347 HE2 PHE 40 HE2 PHE 40 11.647 6.027 1.021 348 HZ PHE 40 HZ PHE 40 13.958 5.577 1.738 349 H LEU 41 HN LEU 41 7.606 6.273 7.130 350 HA LEU 41 HA LEU 41 6.809 8.028 5.127 351 HB2 LEU 41 HB2 LEU 41 6.330 8.354 8.089 352 HB3 LEU 41 HB1 LEU 41 5.384 9.063 6.797 353 HG LEU 41 HG LEU 41 5.601 6.105 7.349 354 HD11 LEU 41 HD11 LEU 41 4.407 7.314 9.121 355 HD12 LEU 41 HD12 LEU 41 3.334 6.271 8.187 356 HD13 LEU 41 HD13 LEU 41 3.334 8.012 7.905 357 HD21 LEU 41 HD21 LEU 41 3.795 7.624 5.473 358 HD22 LEU 41 HD22 LEU 41 3.777 5.885 5.759 359 HD23 LEU 41 HD23 LEU 41 5.175 6.637 4.993 360 H GLU 42 HN GLU 42 8.685 8.728 8.058 361 HA GLU 42 HA GLU 42 9.071 11.476 7.374 362 HB2 GLU 42 HB2 GLU 42 10.724 11.377 9.292 363 HB3 GLU 42 HB1 GLU 42 9.056 10.974 9.674 364 HG2 GLU 42 HG2 GLU 42 10.054 8.521 9.090 365 HG3 GLU 42 HG1 GLU 42 11.471 9.312 9.778 366 H GLU 43 HN GLU 43 10.654 8.564 6.549 367 HA GLU 43 HA GLU 43 13.166 9.872 5.868 368 HB2 GLU 43 HB2 GLU 43 12.359 6.993 5.427 369 HB3 GLU 43 HB1 GLU 43 13.983 7.658 5.328 370 HG2 GLU 43 HG2 GLU 43 13.545 8.332 7.811 371 HG3 GLU 43 HG1 GLU 43 12.317 7.070 7.725 372 H HIS 44 HN HIS 44 10.253 9.743 4.507 373 HA HIS 44 HA HIS 44 11.056 9.176 1.777 374 HB2 HIS 44 HB2 HIS 44 8.827 8.500 2.743 375 HB3 HIS 44 HB1 HIS 44 8.399 10.204 2.804 376 HD1 HIS 44 HD1 HIS 44 7.206 11.058 0.788 377 HD2 HIS 44 HD2 HIS 44 9.433 7.633 -0.016 378 HE1 HIS 44 HE1 HIS 44 6.664 10.401 -1.599 379 HA PRO 45 HA PRO 45 12.204 13.514 1.383 380 HB2 PRO 45 HB2 PRO 45 13.113 13.318 -1.179 381 HB3 PRO 45 HB1 PRO 45 14.071 12.839 0.228 382 HG2 PRO 45 HG2 PRO 45 12.518 11.136 -1.654 383 HG3 PRO 45 HG1 PRO 45 14.103 10.842 -0.912 384 HD2 PRO 45 HD2 PRO 45 11.828 9.684 -0.013 385 HD3 PRO 45 HD1 PRO 45 13.198 10.077 1.047 386 H GLY 46 HN GLY 46 10.352 14.653 1.310 387 HA2 GLY 46 HA2 GLY 46 9.247 15.983 -0.601 388 HA3 GLY 46 HA1 GLY 46 8.625 14.403 -1.061 389 H GLY 47 HN GLY 47 8.722 14.041 2.081 390 HA2 GLY 47 HA2 GLY 47 7.341 14.890 3.862 391 HA3 GLY 47 HA1 GLY 47 6.216 15.480 2.645 392 H GLU 48 HN GLU 48 5.639 13.802 4.936 393 HA GLU 48 HA GLU 48 5.087 11.179 3.791 394 HB2 GLU 48 HB2 GLU 48 4.343 10.548 6.004 395 HB3 GLU 48 HB1 GLU 48 5.898 11.357 6.120 396 HG2 GLU 48 HG2 GLU 48 3.422 12.964 6.474 397 HG3 GLU 48 HG1 GLU 48 3.945 11.902 7.780 398 H GLU 49 HN GLU 49 3.596 14.162 3.915 399 HA GLU 49 HA GLU 49 0.916 13.637 4.404 400 HB2 GLU 49 HB2 GLU 49 2.044 15.882 4.004 401 HB3 GLU 49 HB1 GLU 49 1.891 15.541 2.285 402 HG2 GLU 49 HG2 GLU 49 0.042 16.856 2.751 403 HG3 GLU 49 HG1 GLU 49 -0.601 15.215 2.766 404 H VAL 50 HN VAL 50 2.712 13.395 1.362 405 HA VAL 50 HA VAL 50 0.519 12.692 -0.260 406 HB VAL 50 HB VAL 50 2.208 11.866 -1.881 407 HG11 VAL 50 HG11 VAL 50 3.407 14.053 -2.134 408 HG12 VAL 50 HG12 VAL 50 2.691 14.549 -0.601 409 HG13 VAL 50 HG13 VAL 50 1.657 14.173 -1.978 410 HG21 VAL 50 HG21 VAL 50 4.604 12.169 -1.345 411 HG22 VAL 50 HG22 VAL 50 3.834 10.915 -0.377 412 HG23 VAL 50 HG23 VAL 50 4.163 12.494 0.331 413 H LEU 51 HN LEU 51 2.316 10.862 2.018 414 HA LEU 51 HA LEU 51 1.594 8.308 0.828 415 HB2 LEU 51 HB2 LEU 51 3.041 8.906 3.410 416 HB3 LEU 51 HB1 LEU 51 2.878 7.328 2.665 417 HG LEU 51 HG LEU 51 4.306 9.628 1.334 418 HD11 LEU 51 HD11 LEU 51 5.511 7.388 2.952 419 HD12 LEU 51 HD12 LEU 51 5.383 9.068 3.474 420 HD13 LEU 51 HD13 LEU 51 6.387 8.650 2.084 421 HD21 LEU 51 HD21 LEU 51 4.296 6.653 0.833 422 HD22 LEU 51 HD22 LEU 51 5.293 7.832 -0.020 423 HD23 LEU 51 HD23 LEU 51 3.537 7.887 -0.171 424 H ARG 52 HN ARG 52 0.896 10.229 3.715 425 HA ARG 52 HA ARG 52 -0.842 8.305 4.871 426 HB2 ARG 52 HB2 ARG 52 -1.530 10.148 6.388 427 HB3 ARG 52 HB1 ARG 52 0.209 9.904 6.309 428 HG2 ARG 52 HG2 ARG 52 0.241 12.137 6.111 429 HG3 ARG 52 HG1 ARG 52 -0.098 11.793 4.415 430 HD2 ARG 52 HD2 ARG 52 -1.577 13.534 5.349 431 HD3 ARG 52 HD1 ARG 52 -2.460 12.123 4.771 432 HE ARG 52 HE ARG 52 -2.945 11.527 6.985 433 HH11 ARG 52 HH11 ARG 52 -1.094 14.535 6.753 434 HH12 ARG 52 HH12 ARG 52 -1.494 15.020 8.452 435 HH21 ARG 52 HH21 ARG 52 -3.460 12.129 9.119 436 HH22 ARG 52 HH22 ARG 52 -2.818 13.687 9.765 437 H GLU 53 HN GLU 53 -1.307 10.726 2.443 438 HA GLU 53 HA GLU 53 -4.177 10.823 2.773 439 HB2 GLU 53 HB2 GLU 53 -4.175 12.240 0.797 440 HB3 GLU 53 HB1 GLU 53 -2.940 12.774 1.927 441 HG2 GLU 53 HG2 GLU 53 -1.212 11.769 0.595 442 HG3 GLU 53 HG1 GLU 53 -2.409 11.063 -0.490 443 H GLN 54 HN GLN 54 -2.012 8.664 1.404 444 HA GLN 54 HA GLN 54 -4.136 7.526 -0.294 445 HB2 GLN 54 HB2 GLN 54 -1.170 7.686 -0.736 446 HB3 GLN 54 HB1 GLN 54 -2.120 6.413 -1.493 447 HG2 GLN 54 HG2 GLN 54 -2.541 9.375 -1.822 448 HG3 GLN 54 HG1 GLN 54 -1.795 8.294 -2.995 449 HE21 GLN 54 HE21 GLN 54 -4.756 9.338 -1.538 450 HE22 GLN 54 HE22 GLN 54 -5.824 8.531 -2.635 451 H ALA 55 HN ALA 55 -3.038 7.192 2.585 452 HA ALA 55 HA ALA 55 -2.044 4.560 2.797 453 HB1 ALA 55 HB1 ALA 55 -3.554 6.163 4.864 454 HB2 ALA 55 HB2 ALA 55 -1.813 6.236 4.583 455 HB3 ALA 55 HB3 ALA 55 -2.550 4.743 5.165 456 H GLY 56 HN GLY 56 -3.053 2.747 2.333 457 HA2 GLY 56 HA2 GLY 56 -4.748 1.135 2.554 458 HA3 GLY 56 HA1 GLY 56 -5.854 2.396 3.084 459 H GLY 57 HN GLY 57 -4.265 3.563 0.453 460 HA2 GLY 57 HA2 GLY 57 -6.360 2.585 -1.384 461 HA3 GLY 57 HA1 GLY 57 -5.822 4.258 -1.359 462 H ASP 58 HN ASP 58 -5.712 3.284 -3.723 463 HA ASP 58 HA ASP 58 -3.050 2.150 -4.162 464 HB2 ASP 58 HB2 ASP 58 -3.836 1.595 -6.422 465 HB3 ASP 58 HB1 ASP 58 -4.890 0.914 -5.191 466 H ALA 59 HN ALA 59 -1.465 3.386 -4.772 467 HA ALA 59 HA ALA 59 -2.078 5.930 -6.135 468 HB1 ALA 59 HB1 ALA 59 -0.099 6.886 -5.070 469 HB2 ALA 59 HB2 ALA 59 0.207 5.357 -4.249 470 HB3 ALA 59 HB3 ALA 59 -1.237 6.290 -3.861 471 H THR 60 HN THR 60 -1.539 3.240 -7.188 472 HA THR 60 HA THR 60 0.980 2.786 -8.166 473 HB THR 60 HB THR 60 -1.614 2.331 -9.640 474 HG1 THR 60 HG1 THR 60 -1.979 0.940 -8.112 475 HG21 THR 60 HG21 THR 60 1.006 0.867 -9.882 476 HG22 THR 60 HG22 THR 60 0.416 2.072 -11.028 477 HG23 THR 60 HG23 THR 60 -0.466 0.560 -10.803 478 H GLU 61 HN GLU 61 -1.582 4.685 -9.751 479 HA GLU 61 HA GLU 61 -0.167 5.376 -12.046 480 HB2 GLU 61 HB2 GLU 61 -1.792 7.378 -12.069 481 HB3 GLU 61 HB1 GLU 61 -2.451 5.756 -12.163 482 HG2 GLU 61 HG2 GLU 61 -2.542 6.094 -9.512 483 HG3 GLU 61 HG1 GLU 61 -2.686 7.773 -10.027 484 H ASN 62 HN ASN 62 -0.204 6.944 -8.883 485 HA ASN 62 HA ASN 62 1.216 9.272 -9.757 486 HB2 ASN 62 HB2 ASN 62 -0.256 8.945 -7.622 487 HB3 ASN 62 HB1 ASN 62 1.228 8.319 -6.908 488 HD21 ASN 62 HD21 ASN 62 -0.454 11.112 -8.012 489 HD22 ASN 62 HD22 ASN 62 0.696 12.280 -7.460 490 H PHE 63 HN PHE 63 2.102 6.176 -8.383 491 HA PHE 63 HA PHE 63 4.750 6.637 -7.681 492 HB2 PHE 63 HB2 PHE 63 3.377 4.573 -7.233 493 HB3 PHE 63 HB1 PHE 63 3.667 4.092 -8.899 494 HD1 PHE 63 HD2 PHE 63 5.254 4.684 -5.629 495 HD2 PHE 63 HD1 PHE 63 5.734 3.109 -9.553 496 HE1 PHE 63 HE2 PHE 63 7.336 3.576 -4.925 497 HE2 PHE 63 HE1 PHE 63 7.818 1.999 -8.857 498 HZ PHE 63 HZ PHE 63 8.622 2.231 -6.539 499 H GLU 64 HN GLU 64 3.430 5.565 -10.800 500 HA GLU 64 HA GLU 64 6.029 5.655 -12.050 501 HB2 GLU 64 HB2 GLU 64 4.446 5.293 -14.164 502 HB3 GLU 64 HB1 GLU 64 4.894 3.978 -13.089 503 HG2 GLU 64 HG2 GLU 64 2.703 4.648 -11.834 504 HG3 GLU 64 HG1 GLU 64 2.288 5.393 -13.375 505 H ASP 65 HN ASP 65 3.278 7.751 -11.722 506 HA ASP 65 HA ASP 65 3.727 9.488 -13.877 507 HB2 ASP 65 HB2 ASP 65 1.707 9.526 -12.391 508 HB3 ASP 65 HB1 ASP 65 2.696 10.276 -11.144 509 H VAL 66 HN VAL 66 4.965 9.530 -10.563 510 HA VAL 66 HA VAL 66 6.594 11.845 -10.945 511 HB VAL 66 HB VAL 66 6.801 9.682 -8.837 512 HG11 VAL 66 HG11 VAL 66 8.871 11.013 -9.115 513 HG12 VAL 66 HG12 VAL 66 8.099 11.266 -7.551 514 HG13 VAL 66 HG13 VAL 66 7.935 12.478 -8.819 515 HG21 VAL 66 HG21 VAL 66 4.633 10.796 -8.795 516 HG22 VAL 66 HG22 VAL 66 5.428 12.367 -8.762 517 HG23 VAL 66 HG23 VAL 66 5.600 11.266 -7.398 518 H GLY 67 HN GLY 67 7.185 8.349 -10.944 519 HA2 GLY 67 HA2 GLY 67 8.748 7.237 -12.299 520 HA3 GLY 67 HA1 GLY 67 9.516 8.784 -12.643 521 H HIS 68 HN HIS 68 9.231 6.161 -10.375 522 HA HIS 68 HA HIS 68 11.163 7.262 -8.541 523 HB2 HIS 68 HB2 HIS 68 9.621 4.690 -8.689 524 HB3 HIS 68 HB1 HIS 68 10.964 4.861 -7.564 525 HD1 HIS 68 HD1 HIS 68 7.804 6.873 -8.395 526 HD2 HIS 68 HD2 HIS 68 10.146 5.698 -5.164 527 HE1 HIS 68 HE1 HIS 68 6.686 7.803 -6.328 528 H SER 69 HN SER 69 13.216 6.402 -8.111 529 HA SER 69 HA SER 69 14.658 5.620 -10.446 530 HB2 SER 69 HB2 SER 69 16.567 5.440 -8.728 531 HB3 SER 69 HB1 SER 69 15.830 7.026 -8.959 532 HG SER 69 HG SER 69 15.256 7.003 -6.948 533 H THR 70 HN THR 70 16.116 3.742 -10.518 534 HA THR 70 HA THR 70 14.733 1.334 -10.154 535 HB THR 70 HB THR 70 17.725 1.431 -10.412 536 HG1 THR 70 HG1 THR 70 15.743 2.171 -12.324 537 HG21 THR 70 HG21 THR 70 15.647 -0.307 -11.751 538 HG22 THR 70 HG22 THR 70 16.516 -0.754 -10.283 539 HG23 THR 70 HG23 THR 70 17.396 -0.520 -11.795 540 H ASP 71 HN ASP 71 17.227 2.896 -8.195 541 HA ASP 71 HA ASP 71 17.645 0.740 -6.417 542 HB2 ASP 71 HB2 ASP 71 18.266 3.644 -6.423 543 HB3 ASP 71 HB1 ASP 71 18.267 2.836 -4.859 544 H ALA 72 HN ALA 72 15.336 3.380 -6.464 545 HA ALA 72 HA ALA 72 14.342 3.055 -3.844 546 HB1 ALA 72 HB1 ALA 72 12.881 4.169 -6.235 547 HB2 ALA 72 HB2 ALA 72 13.997 5.081 -5.215 548 HB3 ALA 72 HB3 ALA 72 12.496 4.447 -4.536 549 H ARG 73 HN ARG 73 13.130 1.826 -6.970 550 HA ARG 73 HA ARG 73 10.919 0.477 -5.854 551 HB2 ARG 73 HB2 ARG 73 10.992 -0.870 -8.024 552 HB3 ARG 73 HB1 ARG 73 10.760 0.865 -8.153 553 HG2 ARG 73 HG2 ARG 73 12.452 0.944 -9.570 554 HG3 ARG 73 HG1 ARG 73 13.534 0.441 -8.272 555 HD2 ARG 73 HD2 ARG 73 13.825 -1.062 -10.108 556 HD3 ARG 73 HD1 ARG 73 12.982 -1.926 -8.822 557 HE ARG 73 HE ARG 73 11.450 -0.721 -11.016 558 HH11 ARG 73 HH11 ARG 73 12.614 -3.573 -9.305 559 HH12 ARG 73 HH12 ARG 73 11.404 -4.661 -10.103 560 HH21 ARG 73 HH21 ARG 73 9.928 -2.065 -12.046 561 HH22 ARG 73 HH22 ARG 73 9.908 -3.823 -11.631 562 H GLU 74 HN GLU 74 14.250 -0.533 -6.371 563 HA GLU 74 HA GLU 74 13.788 -3.281 -5.790 564 HB2 GLU 74 HB2 GLU 74 16.314 -1.625 -5.716 565 HB3 GLU 74 HB1 GLU 74 16.276 -3.367 -5.479 566 HG2 GLU 74 HG2 GLU 74 15.448 -1.874 -7.955 567 HG3 GLU 74 HG1 GLU 74 16.904 -2.845 -7.748 568 H LEU 75 HN LEU 75 14.824 -0.496 -3.865 569 HA LEU 75 HA LEU 75 15.319 -1.879 -1.460 570 HB2 LEU 75 HB2 LEU 75 16.119 0.386 -1.839 571 HB3 LEU 75 HB1 LEU 75 14.472 0.979 -1.949 572 HG LEU 75 HG LEU 75 14.171 0.267 0.459 573 HD11 LEU 75 HD11 LEU 75 16.148 -0.068 1.802 574 HD12 LEU 75 HD12 LEU 75 17.175 0.083 0.379 575 HD13 LEU 75 HD13 LEU 75 16.081 -1.291 0.533 576 HD21 LEU 75 HD21 LEU 75 15.302 2.245 1.333 577 HD22 LEU 75 HD22 LEU 75 14.514 2.594 -0.207 578 HD23 LEU 75 HD23 LEU 75 16.261 2.354 -0.141 579 H SER 76 HN SER 76 12.401 -0.631 -2.913 580 HA SER 76 HA SER 76 10.743 -0.767 -0.622 581 HB2 SER 76 HB2 SER 76 9.956 -0.902 -3.542 582 HB3 SER 76 HB1 SER 76 8.890 -0.506 -2.192 583 HG SER 76 HG SER 76 11.130 0.977 -3.117 584 H LYS 77 HN LYS 77 12.090 -3.223 -2.514 585 HA LYS 77 HA LYS 77 9.972 -5.105 -2.488 586 HB2 LYS 77 HB2 LYS 77 12.290 -5.004 -3.801 587 HB3 LYS 77 HB1 LYS 77 12.790 -6.055 -2.482 588 HG2 LYS 77 HG2 LYS 77 10.983 -7.604 -3.028 589 HG3 LYS 77 HG1 LYS 77 10.479 -6.546 -4.347 590 HD2 LYS 77 HD2 LYS 77 12.702 -6.845 -5.389 591 HD3 LYS 77 HD1 LYS 77 13.126 -7.979 -4.103 592 HE2 LYS 77 HE2 LYS 77 11.239 -9.410 -4.770 593 HE3 LYS 77 HE1 LYS 77 10.863 -8.284 -6.073 594 HZ1 LYS 77 HZ1 LYS 77 12.129 -10.158 -6.881 595 HZ2 LYS 77 HZ2 LYS 77 13.381 -9.835 -5.793 596 HZ3 LYS 77 HZ3 LYS 77 13.035 -8.739 -7.038 597 H THR 78 HN THR 78 11.860 -3.919 0.039 598 HA THR 78 HA THR 78 11.677 -6.396 1.578 599 HB THR 78 HB THR 78 13.762 -4.926 1.621 600 HG1 THR 78 HG1 THR 78 14.002 -6.145 3.324 601 HG21 THR 78 HG21 THR 78 12.664 -2.753 1.826 602 HG22 THR 78 HG22 THR 78 13.749 -3.039 3.185 603 HG23 THR 78 HG23 THR 78 12.007 -3.220 3.394 604 H PHE 79 HN PHE 79 9.814 -3.702 0.932 605 HA PHE 79 HA PHE 79 8.510 -3.696 3.559 606 HB2 PHE 79 HB2 PHE 79 8.253 -1.814 1.202 607 HB3 PHE 79 HB1 PHE 79 7.334 -1.669 2.696 608 HD1 PHE 79 HD2 PHE 79 9.267 -2.101 4.785 609 HD2 PHE 79 HD1 PHE 79 9.733 -0.070 1.074 610 HE1 PHE 79 HE2 PHE 79 11.076 -0.747 5.757 611 HE2 PHE 79 HE1 PHE 79 11.544 1.287 2.041 612 HZ PHE 79 HZ PHE 79 12.219 0.948 4.384 613 H ILE 80 HN ILE 80 8.249 -5.578 1.023 614 HA ILE 80 HA ILE 80 5.403 -5.325 0.524 615 HB ILE 80 HB ILE 80 6.851 -5.898 -1.358 616 HG12 ILE 80 HG12 ILE 80 5.649 -8.103 -2.010 617 HG13 ILE 80 HG11 ILE 80 4.810 -7.912 -0.473 618 HG21 ILE 80 HG21 ILE 80 8.602 -7.115 -0.251 619 HG22 ILE 80 HG22 ILE 80 7.894 -8.132 -1.505 620 HG23 ILE 80 HG23 ILE 80 7.484 -8.405 0.187 621 HD11 ILE 80 HD11 ILE 80 3.534 -7.021 -2.352 622 HD12 ILE 80 HD12 ILE 80 4.845 -5.894 -2.702 623 HD13 ILE 80 HD13 ILE 80 3.950 -5.765 -1.186 624 H ILE 81 HN ILE 81 3.863 -6.380 1.585 625 HA ILE 81 HA ILE 81 4.658 -8.702 3.219 626 HB ILE 81 HB ILE 81 2.912 -8.185 4.816 627 HG12 ILE 81 HG12 ILE 81 1.537 -6.932 2.941 628 HG13 ILE 81 HG11 ILE 81 1.341 -6.508 4.635 629 HG21 ILE 81 HG21 ILE 81 4.684 -5.813 4.260 630 HG22 ILE 81 HG22 ILE 81 5.099 -7.243 5.206 631 HG23 ILE 81 HG23 ILE 81 3.851 -6.137 5.781 632 HD11 ILE 81 HD11 ILE 81 3.021 -4.672 4.240 633 HD12 ILE 81 HD12 ILE 81 1.461 -4.488 3.442 634 HD13 ILE 81 HD13 ILE 81 2.864 -5.025 2.519 635 H GLY 82 HN GLY 82 2.681 -7.582 0.701 636 HA2 GLY 82 HA2 GLY 82 1.777 -10.098 -0.039 637 HA3 GLY 82 HA1 GLY 82 0.516 -9.385 0.957 638 H GLU 83 HN GLU 83 -0.562 -9.768 -1.230 639 HA GLU 83 HA GLU 83 -0.549 -7.225 -2.645 640 HB2 GLU 83 HB2 GLU 83 -0.779 -8.600 -4.827 641 HB3 GLU 83 HB1 GLU 83 0.821 -8.340 -4.150 642 HG2 GLU 83 HG2 GLU 83 0.743 -10.568 -3.135 643 HG3 GLU 83 HG1 GLU 83 -0.844 -10.828 -3.860 644 H LEU 84 HN LEU 84 -2.412 -7.243 -4.298 645 HA LEU 84 HA LEU 84 -4.807 -7.719 -2.834 646 HB2 LEU 84 HB2 LEU 84 -4.111 -6.600 -5.500 647 HB3 LEU 84 HB1 LEU 84 -5.764 -7.123 -5.242 648 HG LEU 84 HG LEU 84 -5.545 -4.736 -4.844 649 HD11 LEU 84 HD11 LEU 84 -6.617 -4.609 -2.722 650 HD12 LEU 84 HD12 LEU 84 -5.909 -6.142 -2.213 651 HD13 LEU 84 HD13 LEU 84 -7.124 -6.113 -3.494 652 HD21 LEU 84 HD21 LEU 84 -3.192 -4.665 -4.204 653 HD22 LEU 84 HD22 LEU 84 -3.575 -5.487 -2.692 654 HD23 LEU 84 HD23 LEU 84 -4.205 -3.870 -2.999 655 H HIS 85 HN HIS 85 -6.563 -9.052 -3.379 656 HA HIS 85 HA HIS 85 -5.881 -11.686 -4.172 657 HB2 HIS 85 HB2 HIS 85 -8.458 -10.278 -3.550 658 HB3 HIS 85 HB1 HIS 85 -8.500 -11.884 -4.261 659 HD1 HIS 85 HD1 HIS 85 -8.386 -13.782 -2.661 660 HD2 HIS 85 HD2 HIS 85 -6.950 -10.253 -1.000 661 HE1 HIS 85 HE1 HIS 85 -7.942 -14.306 -0.251 662 HE2 HIS 85 HE2 HIS 85 -6.886 -12.219 0.682 663 HA PRO 86 HA PRO 86 -6.236 -11.481 -8.585 664 HB2 PRO 86 HB2 PRO 86 -7.308 -13.969 -9.080 665 HB3 PRO 86 HB1 PRO 86 -5.593 -13.672 -8.764 666 HG2 PRO 86 HG2 PRO 86 -7.703 -14.636 -6.888 667 HG3 PRO 86 HG1 PRO 86 -6.015 -15.162 -7.047 668 HD2 PRO 86 HD2 PRO 86 -6.785 -13.513 -5.080 669 HD3 PRO 86 HD1 PRO 86 -5.197 -13.354 -5.859 670 H ASP 87 HN ASP 87 -8.948 -12.562 -6.659 671 HA ASP 87 HA ASP 87 -10.967 -12.326 -8.616 672 HB2 ASP 87 HB2 ASP 87 -11.259 -12.080 -5.613 673 HB3 ASP 87 HB1 ASP 87 -12.524 -12.506 -6.763 674 H ASP 88 HN ASP 88 -9.257 -10.015 -6.770 675 HA ASP 88 HA ASP 88 -11.182 -7.920 -7.542 676 HB2 ASP 88 HB2 ASP 88 -9.198 -7.932 -5.253 677 HB3 ASP 88 HB1 ASP 88 -10.227 -6.572 -5.691 678 H ARG 89 HN ARG 89 -8.684 -9.281 -8.753 679 HA ARG 89 HA ARG 89 -7.207 -6.811 -9.366 680 HB2 ARG 89 HB2 ARG 89 -5.977 -8.758 -8.273 681 HB3 ARG 89 HB1 ARG 89 -6.206 -9.623 -9.785 682 HG2 ARG 89 HG2 ARG 89 -5.031 -7.730 -10.933 683 HG3 ARG 89 HG1 ARG 89 -4.626 -7.107 -9.332 684 HD2 ARG 89 HD2 ARG 89 -3.866 -9.799 -10.462 685 HD3 ARG 89 HD1 ARG 89 -2.788 -8.427 -10.211 686 HE ARG 89 HE ARG 89 -4.093 -9.246 -7.799 687 HH11 ARG 89 HH11 ARG 89 -1.411 -9.909 -9.960 688 HH12 ARG 89 HH12 ARG 89 -0.435 -10.735 -8.691 689 HH21 ARG 89 HH21 ARG 89 -2.887 -10.260 -6.143 690 HH22 ARG 89 HH22 ARG 89 -1.249 -10.927 -6.551 691 H SER 90 HN SER 90 -8.335 -9.868 -10.801 692 HA SER 90 HA SER 90 -8.627 -8.440 -13.363 693 HB2 SER 90 HB2 SER 90 -8.183 -10.961 -14.211 694 HB3 SER 90 HB1 SER 90 -6.886 -9.788 -13.979 695 HG SER 90 HG SER 90 -7.418 -12.091 -12.621 696 H LYS 91 HN LYS 91 -10.621 -8.842 -11.327 697 HA LYS 91 HA LYS 91 -12.580 -10.285 -12.935 698 HB2 LYS 91 HB2 LYS 91 -11.617 -11.834 -11.182 699 HB3 LYS 91 HB1 LYS 91 -12.329 -10.785 -9.966 700 HG2 LYS 91 HG2 LYS 91 -14.551 -11.209 -11.134 701 HG3 LYS 91 HG1 LYS 91 -13.714 -12.500 -12.000 702 HD2 LYS 91 HD2 LYS 91 -13.851 -12.275 -8.994 703 HD3 LYS 91 HD1 LYS 91 -14.924 -13.277 -9.970 704 HE2 LYS 91 HE2 LYS 91 -11.981 -13.591 -10.301 705 HE3 LYS 91 HE1 LYS 91 -12.743 -14.264 -8.862 706 HZ1 LYS 91 HZ1 LYS 91 -13.785 -14.843 -11.559 707 HZ2 LYS 91 HZ2 LYS 91 -14.029 -15.701 -10.122 708 HZ3 LYS 91 HZ3 LYS 91 -12.524 -15.750 -10.891 709 H LEU 92 HN LEU 92 -12.402 -8.821 -9.695 710 HA LEU 92 HA LEU 92 -13.521 -7.139 -8.686 711 HB2 LEU 92 HB2 LEU 92 -13.553 -6.212 -11.530 712 HB3 LEU 92 HB1 LEU 92 -14.461 -5.328 -10.322 713 HG LEU 92 HG LEU 92 -12.418 -4.188 -10.493 714 HD11 LEU 92 HD11 LEU 92 -11.455 -4.340 -8.342 715 HD12 LEU 92 HD12 LEU 92 -11.931 -6.027 -8.169 716 HD13 LEU 92 HD13 LEU 92 -13.159 -4.762 -8.161 717 HD21 LEU 92 HD21 LEU 92 -11.061 -6.876 -10.399 718 HD22 LEU 92 HD22 LEU 92 -10.221 -5.327 -10.341 719 HD23 LEU 92 HD23 LEU 92 -11.149 -5.773 -11.772 720 H SER 93 HN SER 93 -15.020 -9.205 -8.549 721 HA SER 93 HA SER 93 -17.688 -8.386 -9.492 722 HB2 SER 93 HB2 SER 93 -16.769 -11.174 -8.746 723 HB3 SER 93 HB1 SER 93 -18.345 -10.732 -9.403 724 HG SER 93 HG SER 93 -16.527 -9.752 -11.045 725 H LYS 94 HN LYS 94 -17.462 -6.947 -7.563 726 HA LYS 94 HA LYS 94 -18.531 -8.296 -5.184 727 HB2 LYS 94 HB2 LYS 94 -16.003 -6.851 -5.402 728 HB3 LYS 94 HB1 LYS 94 -17.050 -6.181 -4.162 729 HG2 LYS 94 HG2 LYS 94 -15.789 -7.723 -2.998 730 HG3 LYS 94 HG1 LYS 94 -17.269 -8.616 -3.345 731 HD2 LYS 94 HD2 LYS 94 -16.249 -9.962 -4.913 732 HD3 LYS 94 HD1 LYS 94 -14.986 -8.780 -5.261 733 HE2 LYS 94 HE2 LYS 94 -15.230 -10.340 -2.693 734 HE3 LYS 94 HE1 LYS 94 -14.161 -10.761 -4.030 735 HZ1 LYS 94 HZ1 LYS 94 -12.891 -9.564 -2.452 736 HZ2 LYS 94 HZ2 LYS 94 -14.040 -8.334 -2.327 737 HZ3 LYS 94 HZ3 LYS 94 -13.143 -8.512 -3.756 738 HA PRO 95 HA PRO 95 -21.439 -4.940 -5.313 739 HB2 PRO 95 HB2 PRO 95 -22.338 -4.998 -2.759 740 HB3 PRO 95 HB1 PRO 95 -22.765 -6.243 -3.939 741 HG2 PRO 95 HG2 PRO 95 -20.707 -6.330 -1.783 742 HG3 PRO 95 HG1 PRO 95 -21.846 -7.587 -2.304 743 HD2 PRO 95 HD2 PRO 95 -19.239 -7.561 -3.060 744 HD3 PRO 95 HD1 PRO 95 -20.533 -8.246 -4.062 745 H MET 96 HN MET 96 -21.964 -2.888 -4.036 746 HA MET 96 HA MET 96 -19.460 -1.795 -2.941 747 HB2 MET 96 HB2 MET 96 -19.994 -0.859 -5.142 748 HB3 MET 96 HB1 MET 96 -21.569 -0.352 -4.551 749 HG2 MET 96 HG2 MET 96 -20.473 1.146 -2.950 750 HG3 MET 96 HG1 MET 96 -18.903 0.647 -3.582 751 HE1 MET 96 HE1 MET 96 -22.324 2.240 -4.403 752 HE2 MET 96 HE2 MET 96 -22.161 1.243 -5.850 753 HE3 MET 96 HE3 MET 96 -22.068 2.997 -5.972 754 H GLU 97 HN GLU 97 -22.783 -0.571 -3.066 755 HA GLU 97 HA GLU 97 -24.228 0.173 -1.506 756 HB2 GLU 97 HB2 GLU 97 -22.975 -2.078 -0.259 757 HB3 GLU 97 HB1 GLU 97 -23.265 -0.836 0.954 758 HG2 GLU 97 HG2 GLU 97 -25.113 -2.482 0.680 759 HG3 GLU 97 HG1 GLU 97 -25.593 -0.798 0.473 760 H THR 98 HN THR 98 -24.039 2.295 -1.261 761 HA THR 98 HA THR 98 -22.468 3.335 0.908 762 HB THR 98 HB THR 98 -20.790 3.187 -0.940 763 HG1 THR 98 HG1 THR 98 -20.193 4.763 0.381 764 HG21 THR 98 HG21 THR 98 -22.512 5.279 -2.272 765 HG22 THR 98 HG22 THR 98 -22.342 3.609 -2.814 766 HG23 THR 98 HG23 THR 98 -20.948 4.693 -2.840 767 H LEU 99 HN LEU 99 -22.668 5.824 0.928 768 HA LEU 99 HA LEU 99 -24.034 7.619 1.185 769 HB2 LEU 99 HB2 LEU 99 -25.080 6.694 -1.492 770 HB3 LEU 99 HB1 LEU 99 -25.386 8.268 -0.780 771 HG LEU 99 HG LEU 99 -22.590 7.309 -1.351 772 HD11 LEU 99 HD11 LEU 99 -23.814 7.215 -3.447 773 HD12 LEU 99 HD12 LEU 99 -22.697 8.579 -3.445 774 HD13 LEU 99 HD13 LEU 99 -24.419 8.849 -3.186 775 HD21 LEU 99 HD21 LEU 99 -22.921 9.203 0.204 776 HD22 LEU 99 HD22 LEU 99 -23.758 10.073 -1.081 777 HD23 LEU 99 HD23 LEU 99 -22.056 9.656 -1.264 778 H ILE 100 HN ILE 100 -24.904 5.143 2.332 779 HA ILE 100 HA ILE 100 -27.820 5.258 2.110 780 HB ILE 100 HB ILE 100 -27.703 3.216 3.620 781 HG12 ILE 100 HG12 ILE 100 -24.791 3.236 2.789 782 HG13 ILE 100 HG11 ILE 100 -25.352 3.681 4.397 783 HG21 ILE 100 HG21 ILE 100 -26.393 3.054 0.907 784 HG22 ILE 100 HG22 ILE 100 -28.131 3.079 1.221 785 HG23 ILE 100 HG23 ILE 100 -27.152 1.718 1.772 786 HD11 ILE 100 HD11 ILE 100 -24.505 1.386 4.284 787 HD12 ILE 100 HD12 ILE 100 -25.755 0.994 3.104 788 HD13 ILE 100 HD13 ILE 100 -26.207 1.449 4.748 789 H THR 101 HN THR 101 -25.881 7.140 3.606 790 HA THR 101 HA THR 101 -27.585 7.481 5.920 791 HB THR 101 HB THR 101 -24.621 7.302 6.445 792 HG1 THR 101 HG1 THR 101 -26.488 5.232 6.201 793 HG21 THR 101 HG21 THR 101 -25.319 7.069 8.755 794 HG22 THR 101 HG22 THR 101 -27.014 7.027 8.269 795 HG23 THR 101 HG23 THR 101 -26.070 8.504 8.055 796 H THR 102 HN THR 102 -27.628 9.593 6.597 797 HA THR 102 HA THR 102 -26.484 11.545 4.833 798 HB THR 102 HB THR 102 -27.818 12.343 7.374 799 HG1 THR 102 HG1 THR 102 -29.147 11.058 5.187 800 HG21 THR 102 HG21 THR 102 -27.159 14.019 5.710 801 HG22 THR 102 HG22 THR 102 -28.913 13.952 5.886 802 HG23 THR 102 HG23 THR 102 -28.137 13.198 4.491 803 H VAL 103 HN VAL 103 -24.747 12.850 5.201 804 HA VAL 103 HA VAL 103 -23.404 12.596 7.814 805 HB VAL 103 HB VAL 103 -21.260 12.963 6.606 806 HG11 VAL 103 HG11 VAL 103 -22.860 10.547 5.777 807 HG12 VAL 103 HG12 VAL 103 -21.879 10.720 7.235 808 HG13 VAL 103 HG13 VAL 103 -21.105 10.692 5.647 809 HG21 VAL 103 HG21 VAL 103 -21.953 14.048 4.612 810 HG22 VAL 103 HG22 VAL 103 -23.030 12.718 4.181 811 HG23 VAL 103 HG23 VAL 103 -21.283 12.488 4.136 812 H ASP 104 HN ASP 104 -25.210 14.667 6.181 813 HA ASP 104 HA ASP 104 -23.620 17.000 7.009 814 HB2 ASP 104 HB2 ASP 104 -24.625 18.283 5.193 815 HB3 ASP 104 HB1 ASP 104 -23.803 16.866 4.552 816 HHB HEM 400 HB HEM 400 11.031 4.917 -1.607 817 HHC HEM 400 HC HEM 400 4.758 5.171 -2.374 818 HHD HEM 400 HD HEM 400 5.281 11.019 -4.711 819 HMA HEM 400 HMA1 HEM 400 12.982 5.755 -1.068 820 HMAA HEM 400 HMA2 HEM 400 14.163 6.905 -1.639 821 HMAB HEM 400 HMA3 HEM 400 13.719 5.585 -2.695 822 HAA HEM 400 HAA1 HEM 400 14.020 9.499 -2.384 823 HAAA HEM 400 HAA2 HEM 400 13.459 9.923 -3.991 824 HBA HEM 400 HBA1 HEM 400 14.356 7.277 -4.231 825 HBAA HEM 400 HBA2 HEM 400 15.557 8.084 -3.220 826 HMB HEM 400 HMB1 HEM 400 9.441 2.222 -1.565 827 HMBA HEM 400 HMB2 HEM 400 8.703 2.597 0.000 828 HMBB HEM 400 HMB3 HEM 400 10.207 3.376 -0.489 829 HAB HEM 400 HAB HEM 400 6.397 2.113 -1.420 830 HBB HEM 400 HBB1 HEM 400 4.606 4.471 -0.418 831 HBBA HEM 400 HBB2 HEM 400 4.248 2.584 -0.373 832 HMC HEM 400 HMC1 HEM 400 1.858 7.410 -3.100 833 HMCA HEM 400 HMC2 HEM 400 2.781 6.106 -2.352 834 HMCB HEM 400 HMC3 HEM 400 2.516 6.128 -4.098 835 HAC HEM 400 HAC HEM 400 3.038 10.171 -5.175 836 HBC HEM 400 HBC1 HEM 400 1.692 9.354 -2.473 837 HBCA HEM 400 HBC2 HEM 400 1.047 10.559 -3.824 838 HMD HEM 400 HMD1 HEM 400 7.226 13.866 -4.750 839 HMDA HEM 400 HMD2 HEM 400 6.002 12.762 -5.386 840 HMDB HEM 400 HMD3 HEM 400 7.369 13.251 -6.387 841 HAD HEM 400 HAD1 HEM 400 9.636 13.760 -5.268 842 HADA HEM 400 HAD2 HEM 400 10.820 12.978 -4.234 843 HBD HEM 400 HBD1 HEM 400 10.588 12.967 -7.183 844 HBDA HEM 400 HBD2 HEM 400 11.085 11.448 -6.436 845 HHA HEM 400 HA HEM 400 11.580 10.672 -4.189 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 21.318 -13.813 15.863 2 H2 MET 1 HT2 MET 1 22.582 -13.728 16.981 3 H3 MET 1 HT3 MET 1 22.129 -12.349 16.117 4 HA MET 1 HA MET 1 20.549 -13.772 18.176 5 HB2 MET 1 HB2 MET 1 21.916 -11.087 18.071 6 HB3 MET 1 HB1 MET 1 20.631 -11.427 19.221 7 HG2 MET 1 HG2 MET 1 23.299 -12.790 19.006 8 HG3 MET 1 HG1 MET 1 22.724 -11.747 20.307 9 HE1 MET 1 HE1 MET 1 23.993 -14.431 21.181 10 HE2 MET 1 HE2 MET 1 22.772 -15.014 22.316 11 HE3 MET 1 HE3 MET 1 23.181 -13.300 22.263 12 H ALA 2 HN ALA 2 20.559 -10.713 16.333 13 HA ALA 2 HA ALA 2 17.638 -11.001 16.074 14 HB1 ALA 2 HB1 ALA 2 18.367 -9.065 17.413 15 HB2 ALA 2 HB2 ALA 2 17.514 -8.581 15.946 16 HB3 ALA 2 HB3 ALA 2 19.271 -8.465 16.022 17 H ALA 3 HN ALA 3 19.088 -12.399 14.261 18 HA ALA 3 HA ALA 3 18.961 -10.729 11.834 19 HB1 ALA 3 HB1 ALA 3 21.239 -11.540 12.397 20 HB2 ALA 3 HB2 ALA 3 20.653 -12.110 10.833 21 HB3 ALA 3 HB3 ALA 3 20.652 -13.194 12.225 22 H GLN 4 HN GLN 4 17.263 -11.173 10.626 23 HA GLN 4 HA GLN 4 16.602 -13.864 9.915 24 HB2 GLN 4 HB2 GLN 4 14.144 -13.536 10.625 25 HB3 GLN 4 HB1 GLN 4 15.311 -14.020 11.846 26 HG2 GLN 4 HG2 GLN 4 15.416 -11.786 12.712 27 HG3 GLN 4 HG1 GLN 4 14.399 -11.185 11.402 28 HE21 GLN 4 HE21 GLN 4 12.193 -11.647 11.422 29 HE22 GLN 4 HE22 GLN 4 11.381 -12.210 12.839 30 H SER 5 HN SER 5 16.723 -13.428 7.809 31 HA SER 5 HA SER 5 15.138 -11.195 6.753 32 HB2 SER 5 HB2 SER 5 17.266 -12.752 5.273 33 HB3 SER 5 HB1 SER 5 16.591 -11.173 4.862 34 HG SER 5 HG SER 5 17.731 -10.245 6.464 35 H ASP 6 HN ASP 6 13.129 -11.989 6.397 36 HA ASP 6 HA ASP 6 12.928 -14.340 4.630 37 HB2 ASP 6 HB2 ASP 6 12.283 -14.968 6.936 38 HB3 ASP 6 HB1 ASP 6 11.069 -13.694 6.934 39 H LYS 7 HN LYS 7 11.045 -14.356 3.262 40 HA LYS 7 HA LYS 7 9.637 -11.805 3.026 41 HB2 LYS 7 HB2 LYS 7 11.242 -13.115 0.836 42 HB3 LYS 7 HB1 LYS 7 9.964 -11.957 0.497 43 HG2 LYS 7 HG2 LYS 7 12.278 -11.323 2.306 44 HG3 LYS 7 HG1 LYS 7 12.333 -11.067 0.559 45 HD2 LYS 7 HD2 LYS 7 10.798 -9.358 0.629 46 HD3 LYS 7 HD1 LYS 7 10.027 -9.962 2.095 47 HE2 LYS 7 HE2 LYS 7 12.841 -9.016 2.255 48 HE3 LYS 7 HE1 LYS 7 11.557 -7.816 2.128 49 HZ1 LYS 7 HZ1 LYS 7 11.598 -9.964 4.178 50 HZ2 LYS 7 HZ2 LYS 7 10.562 -8.627 4.107 51 HZ3 LYS 7 HZ3 LYS 7 12.203 -8.403 4.441 52 H ASP 8 HN ASP 8 7.684 -12.572 3.527 53 HA ASP 8 HA ASP 8 6.597 -14.703 1.807 54 HB2 ASP 8 HB2 ASP 8 6.816 -15.475 4.144 55 HB3 ASP 8 HB1 ASP 8 5.839 -14.110 4.678 56 H VAL 9 HN VAL 9 4.781 -14.216 0.707 57 HA VAL 9 HA VAL 9 3.673 -11.532 1.102 58 HB VAL 9 HB VAL 9 4.462 -11.818 -1.126 59 HG11 VAL 9 HG11 VAL 9 2.838 -14.350 -1.266 60 HG12 VAL 9 HG12 VAL 9 4.595 -14.237 -1.201 61 HG13 VAL 9 HG13 VAL 9 3.724 -13.624 -2.605 62 HG21 VAL 9 HG21 VAL 9 2.454 -10.590 -1.134 63 HG22 VAL 9 HG22 VAL 9 1.472 -12.044 -0.952 64 HG23 VAL 9 HG23 VAL 9 2.320 -11.735 -2.467 65 H LYS 10 HN LYS 10 1.904 -11.427 2.282 66 HA LYS 10 HA LYS 10 0.050 -13.702 2.309 67 HB2 LYS 10 HB2 LYS 10 0.887 -12.942 4.492 68 HB3 LYS 10 HB1 LYS 10 0.259 -11.329 4.177 69 HG2 LYS 10 HG2 LYS 10 -1.967 -12.041 4.360 70 HG3 LYS 10 HG1 LYS 10 -1.518 -13.740 4.213 71 HD2 LYS 10 HD2 LYS 10 -0.464 -12.118 6.489 72 HD3 LYS 10 HD1 LYS 10 -2.112 -12.744 6.551 73 HE2 LYS 10 HE2 LYS 10 0.327 -14.436 6.033 74 HE3 LYS 10 HE1 LYS 10 -0.407 -14.219 7.620 75 HZ1 LYS 10 HZ1 LYS 10 -1.781 -15.357 5.248 76 HZ2 LYS 10 HZ2 LYS 10 -2.436 -15.203 6.796 77 HZ3 LYS 10 HZ3 LYS 10 -1.144 -16.257 6.528 78 H TYR 11 HN TYR 11 -1.795 -13.576 1.225 79 HA TYR 11 HA TYR 11 -2.472 -11.102 -0.095 80 HB2 TYR 11 HB2 TYR 11 -3.463 -13.925 -0.281 81 HB3 TYR 11 HB1 TYR 11 -4.375 -12.610 -1.018 82 HD1 TYR 11 HD2 TYR 11 -0.930 -14.033 -0.903 83 HD2 TYR 11 HD1 TYR 11 -3.852 -11.928 -3.173 84 HE1 TYR 11 HE2 TYR 11 0.561 -14.082 -2.854 85 HE2 TYR 11 HE1 TYR 11 -2.365 -11.973 -5.132 86 HH TYR 11 HH TYR 11 0.190 -12.144 -5.505 87 H TYR 12 HN TYR 12 -3.266 -9.675 1.363 88 HA TYR 12 HA TYR 12 -5.390 -10.429 3.192 89 HB2 TYR 12 HB2 TYR 12 -4.206 -7.702 2.628 90 HB3 TYR 12 HB1 TYR 12 -5.287 -8.104 3.953 91 HD1 TYR 12 HD2 TYR 12 -4.461 -9.500 5.830 92 HD2 TYR 12 HD1 TYR 12 -1.863 -8.128 2.752 93 HE1 TYR 12 HE2 TYR 12 -2.524 -9.942 7.276 94 HE2 TYR 12 HE1 TYR 12 0.081 -8.560 4.193 95 HH TYR 12 HH TYR 12 -0.170 -10.324 7.135 96 H THR 13 HN THR 13 -7.436 -9.196 3.239 97 HA THR 13 HA THR 13 -8.533 -8.913 0.579 98 HB THR 13 HB THR 13 -10.321 -8.093 2.708 99 HG1 THR 13 HG1 THR 13 -10.298 -10.036 3.873 100 HG21 THR 13 HG21 THR 13 -11.644 -9.995 1.824 101 HG22 THR 13 HG22 THR 13 -10.275 -10.434 0.805 102 HG23 THR 13 HG23 THR 13 -11.095 -8.893 0.560 103 H LEU 14 HN LEU 14 -9.470 -7.009 -0.252 104 HA LEU 14 HA LEU 14 -8.050 -4.644 0.220 105 HB2 LEU 14 HB2 LEU 14 -10.540 -5.316 -1.288 106 HB3 LEU 14 HB1 LEU 14 -10.100 -3.634 -1.065 107 HG LEU 14 HG LEU 14 -7.867 -4.188 -2.114 108 HD11 LEU 14 HD11 LEU 14 -7.817 -6.210 -3.533 109 HD12 LEU 14 HD12 LEU 14 -9.310 -6.749 -2.766 110 HD13 LEU 14 HD13 LEU 14 -7.841 -6.572 -1.806 111 HD21 LEU 14 HD21 LEU 14 -8.765 -4.174 -4.401 112 HD22 LEU 14 HD22 LEU 14 -9.595 -3.027 -3.349 113 HD23 LEU 14 HD23 LEU 14 -10.364 -4.560 -3.761 114 H GLU 15 HN GLU 15 -11.264 -5.664 1.229 115 HA GLU 15 HA GLU 15 -11.987 -3.272 2.531 116 HB2 GLU 15 HB2 GLU 15 -13.616 -4.878 3.758 117 HB3 GLU 15 HB1 GLU 15 -13.792 -4.646 2.026 118 HG2 GLU 15 HG2 GLU 15 -12.074 -6.880 2.937 119 HG3 GLU 15 HG1 GLU 15 -13.814 -7.044 3.162 120 H GLU 16 HN GLU 16 -9.798 -5.734 3.451 121 HA GLU 16 HA GLU 16 -10.047 -5.103 6.291 122 HB2 GLU 16 HB2 GLU 16 -9.803 -7.475 5.504 123 HB3 GLU 16 HB1 GLU 16 -8.170 -7.075 4.990 124 HG2 GLU 16 HG2 GLU 16 -7.559 -6.534 7.275 125 HG3 GLU 16 HG1 GLU 16 -9.204 -6.872 7.808 126 H ILE 17 HN ILE 17 -7.734 -4.787 3.628 127 HA ILE 17 HA ILE 17 -5.649 -3.722 5.252 128 HB ILE 17 HB ILE 17 -4.601 -2.998 3.126 129 HG12 ILE 17 HG12 ILE 17 -7.120 -4.135 1.896 130 HG13 ILE 17 HG11 ILE 17 -6.573 -2.465 1.814 131 HG21 ILE 17 HG21 ILE 17 -4.180 -5.241 2.277 132 HG22 ILE 17 HG22 ILE 17 -5.601 -5.843 3.134 133 HG23 ILE 17 HG23 ILE 17 -4.217 -5.228 4.041 134 HD11 ILE 17 HD11 ILE 17 -6.127 -3.559 -0.273 135 HD12 ILE 17 HD12 ILE 17 -5.256 -4.853 0.548 136 HD13 ILE 17 HD13 ILE 17 -4.599 -3.217 0.539 137 H LYS 18 HN LYS 18 -8.268 -2.297 3.380 138 HA LYS 18 HA LYS 18 -7.394 0.403 3.696 139 HB2 LYS 18 HB2 LYS 18 -9.482 1.023 2.727 140 HB3 LYS 18 HB1 LYS 18 -8.961 -0.441 1.908 141 HG2 LYS 18 HG2 LYS 18 -10.875 -1.427 2.420 142 HG3 LYS 18 HG1 LYS 18 -10.552 -1.198 4.138 143 HD2 LYS 18 HD2 LYS 18 -12.592 -0.118 3.818 144 HD3 LYS 18 HD1 LYS 18 -11.415 1.196 3.768 145 HE2 LYS 18 HE2 LYS 18 -11.435 1.060 1.295 146 HE3 LYS 18 HE1 LYS 18 -12.689 -0.171 1.402 147 HZ1 LYS 18 HZ1 LYS 18 -12.874 2.680 2.171 148 HZ2 LYS 18 HZ2 LYS 18 -14.014 1.537 2.665 149 HZ3 LYS 18 HZ3 LYS 18 -13.788 1.846 1.019 150 H LYS 19 HN LYS 19 -8.585 -1.806 5.858 151 HA LYS 19 HA LYS 19 -9.833 0.242 7.554 152 HB2 LYS 19 HB2 LYS 19 -10.685 -2.303 6.873 153 HB3 LYS 19 HB1 LYS 19 -10.007 -2.519 8.481 154 HG2 LYS 19 HG2 LYS 19 -12.224 -2.045 8.908 155 HG3 LYS 19 HG1 LYS 19 -11.443 -0.479 9.117 156 HD2 LYS 19 HD2 LYS 19 -13.320 0.024 7.830 157 HD3 LYS 19 HD1 LYS 19 -12.031 -0.103 6.632 158 HE2 LYS 19 HE2 LYS 19 -13.992 -1.268 5.837 159 HE3 LYS 19 HE1 LYS 19 -12.711 -2.430 6.180 160 HZ1 LYS 19 HZ1 LYS 19 -14.533 -3.408 7.144 161 HZ2 LYS 19 HZ2 LYS 19 -15.215 -1.946 7.643 162 HZ3 LYS 19 HZ3 LYS 19 -13.884 -2.582 8.467 163 H HIS 20 HN HIS 20 -6.872 -0.845 7.057 164 HA HIS 20 HA HIS 20 -6.239 -1.032 9.932 165 HB2 HIS 20 HB2 HIS 20 -5.198 -2.508 7.582 166 HB3 HIS 20 HB1 HIS 20 -4.025 -2.063 8.816 167 HD1 HIS 20 HD1 HIS 20 -6.879 -4.352 8.145 168 HD2 HIS 20 HD2 HIS 20 -4.387 -3.327 11.316 169 HE1 HIS 20 HE1 HIS 20 -7.198 -6.152 9.871 170 HE2 HIS 20 HE2 HIS 20 -5.576 -5.589 11.718 171 H ASN 21 HN ASN 21 -6.223 1.134 7.556 172 HA ASN 21 HA ASN 21 -3.556 2.118 7.593 173 HB2 ASN 21 HB2 ASN 21 -4.838 4.310 6.832 174 HB3 ASN 21 HB1 ASN 21 -4.620 2.947 5.743 175 HD21 ASN 21 HD21 ASN 21 -6.406 3.644 4.536 176 HD22 ASN 21 HD22 ASN 21 -8.025 3.362 5.089 177 H HIS 22 HN HIS 22 -2.680 2.595 9.498 178 HA HIS 22 HA HIS 22 -3.922 4.731 11.075 179 HB2 HIS 22 HB2 HIS 22 -2.915 2.113 12.228 180 HB3 HIS 22 HB1 HIS 22 -3.326 3.531 13.188 181 HD1 HIS 22 HD1 HIS 22 -5.976 4.371 12.526 182 HD2 HIS 22 HD2 HIS 22 -4.945 0.359 12.206 183 HE1 HIS 22 HE1 HIS 22 -8.148 3.111 12.598 184 HE2 HIS 22 HE2 HIS 22 -7.476 0.680 12.636 185 H SER 23 HN SER 23 -2.229 5.416 12.849 186 HA SER 23 HA SER 23 0.084 6.287 11.495 187 HB2 SER 23 HB2 SER 23 0.254 6.338 14.417 188 HB3 SER 23 HB1 SER 23 0.274 7.672 13.263 189 HG SER 23 HG SER 23 -1.684 8.044 13.912 190 H LYS 24 HN LYS 24 -0.581 3.357 13.086 191 HA LYS 24 HA LYS 24 2.286 2.764 13.338 192 HB2 LYS 24 HB2 LYS 24 1.543 0.909 14.870 193 HB3 LYS 24 HB1 LYS 24 1.254 2.535 15.472 194 HG2 LYS 24 HG2 LYS 24 -1.112 2.280 14.558 195 HG3 LYS 24 HG1 LYS 24 -0.741 0.560 14.410 196 HD2 LYS 24 HD2 LYS 24 -0.244 0.449 16.793 197 HD3 LYS 24 HD1 LYS 24 -0.544 2.179 16.948 198 HE2 LYS 24 HE2 LYS 24 -2.874 1.695 16.053 199 HE3 LYS 24 HE1 LYS 24 -2.513 -0.007 16.340 200 HZ1 LYS 24 HZ1 LYS 24 -3.689 1.009 18.205 201 HZ2 LYS 24 HZ2 LYS 24 -2.439 2.130 18.403 202 HZ3 LYS 24 HZ3 LYS 24 -2.147 0.484 18.667 203 H SER 25 HN SER 25 0.117 2.512 11.097 204 HA SER 25 HA SER 25 1.246 0.187 9.886 205 HB2 SER 25 HB2 SER 25 -1.695 0.108 10.635 206 HB3 SER 25 HB1 SER 25 -0.895 -1.035 9.552 207 HG SER 25 HG SER 25 0.487 -0.870 11.840 208 H THR 26 HN THR 26 1.769 1.464 8.138 209 HA THR 26 HA THR 26 -0.467 2.837 6.807 210 HB THR 26 HB THR 26 2.411 3.400 6.155 211 HG1 THR 26 HG1 THR 26 1.514 3.679 8.560 212 HG21 THR 26 HG21 THR 26 1.457 5.627 5.601 213 HG22 THR 26 HG22 THR 26 -0.141 5.022 6.032 214 HG23 THR 26 HG23 THR 26 0.724 4.327 4.661 215 H TRP 27 HN TRP 27 -1.200 0.990 5.765 216 HA TRP 27 HA TRP 27 0.576 -0.433 3.973 217 HB2 TRP 27 HB2 TRP 27 -2.377 -0.795 4.534 218 HB3 TRP 27 HB1 TRP 27 -1.400 -1.855 3.522 219 HD1 TRP 27 HD1 TRP 27 0.844 -1.068 6.204 220 HE1 TRP 27 HE1 TRP 27 0.800 -2.813 8.078 221 HE3 TRP 27 HE3 TRP 27 -3.497 -3.457 4.954 222 HZ2 TRP 27 HZ2 TRP 27 -0.871 -4.938 8.922 223 HZ3 TRP 27 HZ3 TRP 27 -4.248 -5.343 6.348 224 HH2 TRP 27 HH2 TRP 27 -2.960 -6.067 8.289 225 H LEU 28 HN LEU 28 1.045 0.512 2.129 226 HA LEU 28 HA LEU 28 -1.040 2.047 0.724 227 HB2 LEU 28 HB2 LEU 28 1.641 2.607 1.294 228 HB3 LEU 28 HB1 LEU 28 1.622 2.212 -0.412 229 HG LEU 28 HG LEU 28 -0.294 4.228 0.723 230 HD11 LEU 28 HD11 LEU 28 1.918 4.954 1.414 231 HD12 LEU 28 HD12 LEU 28 1.313 5.979 0.113 232 HD13 LEU 28 HD13 LEU 28 2.520 4.741 -0.229 233 HD21 LEU 28 HD21 LEU 28 -0.047 5.111 -1.625 234 HD22 LEU 28 HD22 LEU 28 -0.840 3.543 -1.476 235 HD23 LEU 28 HD23 LEU 28 0.841 3.636 -1.999 236 H ILE 29 HN ILE 29 -1.634 1.503 -1.358 237 HA ILE 29 HA ILE 29 -0.698 -1.121 -2.260 238 HB ILE 29 HB ILE 29 -3.128 0.465 -3.096 239 HG12 ILE 29 HG12 ILE 29 -2.972 -2.118 -1.539 240 HG13 ILE 29 HG11 ILE 29 -3.139 -0.535 -0.785 241 HG21 ILE 29 HG21 ILE 29 -3.792 -1.564 -4.309 242 HG22 ILE 29 HG22 ILE 29 -2.244 -2.303 -3.897 243 HG23 ILE 29 HG23 ILE 29 -2.293 -0.881 -4.937 244 HD11 ILE 29 HD11 ILE 29 -5.091 -1.865 -2.650 245 HD12 ILE 29 HD12 ILE 29 -5.253 -0.222 -2.029 246 HD13 ILE 29 HD13 ILE 29 -5.287 -1.593 -0.918 247 H LEU 30 HN LEU 30 0.863 -1.115 -3.683 248 HA LEU 30 HA LEU 30 0.811 0.868 -5.856 249 HB2 LEU 30 HB2 LEU 30 3.276 -0.178 -4.453 250 HB3 LEU 30 HB1 LEU 30 3.267 0.915 -5.824 251 HG LEU 30 HG LEU 30 2.028 1.611 -3.165 252 HD11 LEU 30 HD11 LEU 30 4.044 2.923 -2.732 253 HD12 LEU 30 HD12 LEU 30 4.786 2.268 -4.192 254 HD13 LEU 30 HD13 LEU 30 4.403 1.201 -2.840 255 HD21 LEU 30 HD21 LEU 30 2.927 3.359 -5.448 256 HD22 LEU 30 HD22 LEU 30 2.076 3.862 -3.986 257 HD23 LEU 30 HD23 LEU 30 1.260 2.848 -5.177 258 H HIS 31 HN HIS 31 0.641 -0.102 -7.768 259 HA HIS 31 HA HIS 31 0.777 -1.639 -9.442 260 HB2 HIS 31 HB2 HIS 31 3.126 -2.484 -7.769 261 HB3 HIS 31 HB1 HIS 31 2.619 -3.479 -9.128 262 HD1 HIS 31 HD1 HIS 31 4.228 -3.038 -10.954 263 HD2 HIS 31 HD2 HIS 31 3.103 0.458 -9.000 264 HE1 HIS 31 HE1 HIS 31 5.337 -1.168 -12.214 265 HE2 HIS 31 HE2 HIS 31 4.490 0.949 -11.134 266 H HIS 32 HN HIS 32 -0.979 -1.941 -7.206 267 HA HIS 32 HA HIS 32 -2.578 -3.348 -6.448 268 HB2 HIS 32 HB2 HIS 32 -1.498 -5.026 -8.699 269 HB3 HIS 32 HB1 HIS 32 -2.746 -5.647 -7.626 270 HD1 HIS 32 HD1 HIS 32 -3.144 -5.039 -10.715 271 HD2 HIS 32 HD2 HIS 32 -4.297 -2.576 -7.570 272 HE1 HIS 32 HE1 HIS 32 -4.992 -3.594 -11.625 273 HE2 HIS 32 HE2 HIS 32 -5.812 -2.277 -9.637 274 H LYS 33 HN LYS 33 0.123 -3.277 -5.324 275 HA LYS 33 HA LYS 33 0.034 -5.831 -3.866 276 HB2 LYS 33 HB2 LYS 33 2.593 -4.300 -4.216 277 HB3 LYS 33 HB1 LYS 33 2.371 -5.996 -3.815 278 HG2 LYS 33 HG2 LYS 33 1.368 -6.185 -6.188 279 HG3 LYS 33 HG1 LYS 33 2.179 -4.646 -6.475 280 HD2 LYS 33 HD2 LYS 33 4.298 -5.729 -5.668 281 HD3 LYS 33 HD1 LYS 33 3.432 -7.268 -5.679 282 HE2 LYS 33 HE2 LYS 33 4.118 -5.485 -7.995 283 HE3 LYS 33 HE1 LYS 33 4.559 -7.172 -7.741 284 HZ1 LYS 33 HZ1 LYS 33 2.105 -7.659 -7.887 285 HZ2 LYS 33 HZ2 LYS 33 2.854 -7.174 -9.331 286 HZ3 LYS 33 HZ3 LYS 33 1.907 -6.071 -8.463 287 H VAL 34 HN VAL 34 0.710 -5.678 -1.614 288 HA VAL 34 HA VAL 34 0.039 -3.042 -0.505 289 HB VAL 34 HB VAL 34 0.154 -5.645 1.013 290 HG11 VAL 34 HG11 VAL 34 -1.212 -4.518 2.630 291 HG12 VAL 34 HG12 VAL 34 -1.369 -3.108 1.582 292 HG13 VAL 34 HG13 VAL 34 0.195 -3.511 2.289 293 HG21 VAL 34 HG21 VAL 34 -1.430 -5.868 -0.852 294 HG22 VAL 34 HG22 VAL 34 -2.261 -4.408 -0.313 295 HG23 VAL 34 HG23 VAL 34 -2.251 -5.847 0.709 296 H TYR 35 HN TYR 35 1.561 -1.826 0.353 297 HA TYR 35 HA TYR 35 4.008 -3.102 1.400 298 HB2 TYR 35 HB2 TYR 35 3.804 -0.408 0.031 299 HB3 TYR 35 HB1 TYR 35 5.270 -1.130 0.676 300 HD1 TYR 35 HD1 TYR 35 2.783 -1.272 -2.021 301 HD2 TYR 35 HD2 TYR 35 6.455 -2.841 -0.544 302 HE1 TYR 35 HE1 TYR 35 3.221 -2.302 -4.206 303 HE2 TYR 35 HE2 TYR 35 6.896 -3.876 -2.731 304 HH TYR 35 HH TYR 35 5.070 -3.114 -5.518 305 H ASP 36 HN ASP 36 4.562 -2.558 3.446 306 HA ASP 36 HA ASP 36 2.952 -0.477 4.771 307 HB2 ASP 36 HB2 ASP 36 2.958 -2.815 5.727 308 HB3 ASP 36 HB1 ASP 36 4.660 -2.586 6.105 309 H LEU 37 HN LEU 37 3.920 1.413 4.773 310 HA LEU 37 HA LEU 37 6.814 1.500 5.307 311 HB2 LEU 37 HB2 LEU 37 6.930 3.552 3.987 312 HB3 LEU 37 HB1 LEU 37 6.355 2.208 3.026 313 HG LEU 37 HG LEU 37 4.320 3.997 4.261 314 HD11 LEU 37 HD11 LEU 37 5.925 4.730 1.815 315 HD12 LEU 37 HD12 LEU 37 5.962 5.567 3.365 316 HD13 LEU 37 HD13 LEU 37 4.489 5.568 2.399 317 HD21 LEU 37 HD21 LEU 37 3.990 1.870 2.788 318 HD22 LEU 37 HD22 LEU 37 4.351 2.973 1.456 319 HD23 LEU 37 HD23 LEU 37 2.986 3.295 2.526 320 H THR 38 HN THR 38 4.694 1.468 7.256 321 HA THR 38 HA THR 38 3.997 3.999 8.195 322 HB THR 38 HB THR 38 3.255 1.576 8.924 323 HG1 THR 38 HG1 THR 38 3.280 3.973 10.423 324 HG21 THR 38 HG21 THR 38 5.280 2.289 11.045 325 HG22 THR 38 HG22 THR 38 5.348 0.901 9.959 326 HG23 THR 38 HG23 THR 38 4.075 1.010 11.174 327 H LYS 39 HN LYS 39 7.055 2.430 8.291 328 HA LYS 39 HA LYS 39 8.012 4.350 10.304 329 HB2 LYS 39 HB2 LYS 39 9.080 1.679 9.411 330 HB3 LYS 39 HB1 LYS 39 10.060 2.812 10.328 331 HG2 LYS 39 HG2 LYS 39 7.403 1.754 11.267 332 HG3 LYS 39 HG1 LYS 39 8.962 1.048 11.697 333 HD2 LYS 39 HD2 LYS 39 9.639 3.085 12.787 334 HD3 LYS 39 HD1 LYS 39 8.183 3.913 12.236 335 HE2 LYS 39 HE2 LYS 39 6.823 2.331 13.563 336 HE3 LYS 39 HE1 LYS 39 8.310 1.593 14.162 337 HZ1 LYS 39 HZ1 LYS 39 8.915 3.819 15.047 338 HZ2 LYS 39 HZ2 LYS 39 7.554 3.140 15.776 339 HZ3 LYS 39 HZ3 LYS 39 7.371 4.369 14.626 340 H PHE 40 HN PHE 40 7.708 4.219 7.100 341 HA PHE 40 HA PHE 40 10.345 5.435 6.577 342 HB2 PHE 40 HB2 PHE 40 9.564 3.334 5.273 343 HB3 PHE 40 HB1 PHE 40 8.494 4.443 4.426 344 HD1 PHE 40 HD1 PHE 40 12.065 3.815 5.223 345 HD2 PHE 40 HD2 PHE 40 9.273 5.719 2.634 346 HE1 PHE 40 HE1 PHE 40 13.894 4.402 3.686 347 HE2 PHE 40 HE2 PHE 40 11.099 6.309 1.093 348 HZ PHE 40 HZ PHE 40 13.413 5.649 1.617 349 H LEU 41 HN LEU 41 7.213 6.201 7.180 350 HA LEU 41 HA LEU 41 6.458 8.091 5.293 351 HB2 LEU 41 HB2 LEU 41 5.966 8.220 8.271 352 HB3 LEU 41 HB1 LEU 41 5.054 9.064 7.036 353 HG LEU 41 HG LEU 41 5.177 6.059 7.287 354 HD11 LEU 41 HD11 LEU 41 4.085 7.000 9.230 355 HD12 LEU 41 HD12 LEU 41 2.893 6.249 8.169 356 HD13 LEU 41 HD13 LEU 41 3.067 8.004 8.199 357 HD21 LEU 41 HD21 LEU 41 3.290 7.800 5.711 358 HD22 LEU 41 HD22 LEU 41 3.383 6.039 5.706 359 HD23 LEU 41 HD23 LEU 41 4.700 6.992 5.026 360 H GLU 42 HN GLU 42 8.575 8.437 8.080 361 HA GLU 42 HA GLU 42 8.977 11.266 7.505 362 HB2 GLU 42 HB2 GLU 42 10.352 11.198 9.602 363 HB3 GLU 42 HB1 GLU 42 8.660 10.772 9.815 364 HG2 GLU 42 HG2 GLU 42 9.330 8.375 9.711 365 HG3 GLU 42 HG1 GLU 42 11.011 8.906 9.717 366 H GLU 43 HN GLU 43 10.176 8.510 6.302 367 HA GLU 43 HA GLU 43 12.939 9.511 6.103 368 HB2 GLU 43 HB2 GLU 43 11.932 6.754 5.389 369 HB3 GLU 43 HB1 GLU 43 13.607 7.274 5.502 370 HG2 GLU 43 HG2 GLU 43 11.709 7.210 7.828 371 HG3 GLU 43 HG1 GLU 43 12.801 5.893 7.410 372 H HIS 44 HN HIS 44 10.075 9.530 4.534 373 HA HIS 44 HA HIS 44 10.967 9.025 1.852 374 HB2 HIS 44 HB2 HIS 44 8.598 8.696 2.740 375 HB3 HIS 44 HB1 HIS 44 8.440 10.449 2.703 376 HD1 HIS 44 HD1 HIS 44 7.296 11.235 0.641 377 HD2 HIS 44 HD2 HIS 44 9.483 7.753 -0.012 378 HE1 HIS 44 HE1 HIS 44 6.970 10.636 -1.796 379 HA PRO 45 HA PRO 45 12.675 13.128 1.362 380 HB2 PRO 45 HB2 PRO 45 13.356 12.933 -1.239 381 HB3 PRO 45 HB1 PRO 45 14.250 12.074 0.026 382 HG2 PRO 45 HG2 PRO 45 12.125 11.033 -1.798 383 HG3 PRO 45 HG1 PRO 45 13.676 10.294 -1.350 384 HD2 PRO 45 HD2 PRO 45 11.344 9.569 -0.189 385 HD3 PRO 45 HD1 PRO 45 12.893 9.547 0.682 386 H GLY 46 HN GLY 46 10.347 13.812 1.682 387 HA2 GLY 46 HA2 GLY 46 9.581 15.758 -0.067 388 HA3 GLY 46 HA1 GLY 46 8.742 14.320 -0.639 389 H GLY 47 HN GLY 47 6.711 14.361 0.014 390 HA2 GLY 47 HA2 GLY 47 6.077 15.539 2.618 391 HA3 GLY 47 HA1 GLY 47 4.928 15.195 1.333 392 H GLU 48 HN GLU 48 4.645 14.481 4.067 393 HA GLU 48 HA GLU 48 4.874 11.553 3.938 394 HB2 GLU 48 HB2 GLU 48 4.459 11.695 6.443 395 HB3 GLU 48 HB1 GLU 48 6.006 12.302 5.874 396 HG2 GLU 48 HG2 GLU 48 5.081 14.598 5.949 397 HG3 GLU 48 HG1 GLU 48 3.600 13.937 6.643 398 H GLU 49 HN GLU 49 2.696 14.243 4.284 399 HA GLU 49 HA GLU 49 0.413 12.797 5.113 400 HB2 GLU 49 HB2 GLU 49 0.761 15.325 5.152 401 HB3 GLU 49 HB1 GLU 49 0.371 15.299 3.439 402 HG2 GLU 49 HG2 GLU 49 -1.787 14.155 4.079 403 HG3 GLU 49 HG1 GLU 49 -1.393 14.564 5.749 404 H VAL 50 HN VAL 50 1.880 13.472 2.020 405 HA VAL 50 HA VAL 50 -0.248 12.646 0.364 406 HB VAL 50 HB VAL 50 1.408 12.427 -1.422 407 HG11 VAL 50 HG11 VAL 50 2.203 14.720 -1.431 408 HG12 VAL 50 HG12 VAL 50 1.905 14.851 0.300 409 HG13 VAL 50 HG13 VAL 50 0.555 14.642 -0.812 410 HG21 VAL 50 HG21 VAL 50 3.783 12.851 -0.989 411 HG22 VAL 50 HG22 VAL 50 3.221 11.394 -0.170 412 HG23 VAL 50 HG23 VAL 50 3.461 12.883 0.745 413 H LEU 51 HN LEU 51 1.883 10.872 2.343 414 HA LEU 51 HA LEU 51 1.576 8.404 0.832 415 HB2 LEU 51 HB2 LEU 51 2.895 8.826 3.512 416 HB3 LEU 51 HB1 LEU 51 3.038 7.413 2.485 417 HG LEU 51 HG LEU 51 4.042 10.155 1.717 418 HD11 LEU 51 HD11 LEU 51 5.571 7.816 2.844 419 HD12 LEU 51 HD12 LEU 51 5.231 9.331 3.682 420 HD13 LEU 51 HD13 LEU 51 6.266 9.326 2.253 421 HD21 LEU 51 HD21 LEU 51 4.542 7.424 0.539 422 HD22 LEU 51 HD22 LEU 51 5.295 8.929 0.014 423 HD23 LEU 51 HD23 LEU 51 3.556 8.700 -0.177 424 H ARG 52 HN ARG 52 0.679 9.750 3.990 425 HA ARG 52 HA ARG 52 -0.773 7.476 4.848 426 HB2 ARG 52 HB2 ARG 52 -1.748 9.029 6.552 427 HB3 ARG 52 HB1 ARG 52 0.009 8.994 6.509 428 HG2 ARG 52 HG2 ARG 52 0.084 11.178 6.199 429 HG3 ARG 52 HG1 ARG 52 -0.925 11.043 4.758 430 HD2 ARG 52 HD2 ARG 52 -1.995 12.524 6.314 431 HD3 ARG 52 HD1 ARG 52 -2.925 11.029 6.225 432 HE ARG 52 HE ARG 52 -1.658 10.406 8.331 433 HH11 ARG 52 HH11 ARG 52 -2.441 13.739 7.470 434 HH12 ARG 52 HH12 ARG 52 -2.469 14.283 9.188 435 HH21 ARG 52 HH21 ARG 52 -1.688 11.071 10.500 436 HH22 ARG 52 HH22 ARG 52 -2.058 12.801 10.873 437 H GLU 53 HN GLU 53 -1.673 10.275 2.920 438 HA GLU 53 HA GLU 53 -4.488 9.858 3.177 439 HB2 GLU 53 HB2 GLU 53 -4.731 11.477 1.393 440 HB3 GLU 53 HB1 GLU 53 -3.518 12.041 2.534 441 HG2 GLU 53 HG2 GLU 53 -1.749 11.398 1.037 442 HG3 GLU 53 HG1 GLU 53 -2.907 10.680 -0.077 443 H GLN 54 HN GLN 54 -2.058 8.218 1.520 444 HA GLN 54 HA GLN 54 -3.948 7.106 -0.437 445 HB2 GLN 54 HB2 GLN 54 -0.927 6.923 -0.337 446 HB3 GLN 54 HB1 GLN 54 -1.945 6.205 -1.577 447 HG2 GLN 54 HG2 GLN 54 -1.786 9.155 -1.005 448 HG3 GLN 54 HG1 GLN 54 -0.854 8.329 -2.246 449 HE21 GLN 54 HE21 GLN 54 -3.997 9.435 -1.271 450 HE22 GLN 54 HE22 GLN 54 -4.765 9.232 -2.806 451 H ALA 55 HN ALA 55 -2.948 6.531 2.600 452 HA ALA 55 HA ALA 55 -2.214 3.790 2.540 453 HB1 ALA 55 HB1 ALA 55 -3.427 5.371 4.804 454 HB2 ALA 55 HB2 ALA 55 -1.705 5.246 4.443 455 HB3 ALA 55 HB3 ALA 55 -2.608 3.813 4.942 456 H GLY 56 HN GLY 56 -3.433 2.076 2.146 457 HA2 GLY 56 HA2 GLY 56 -5.299 0.676 2.345 458 HA3 GLY 56 HA1 GLY 56 -6.235 2.041 2.944 459 H GLY 57 HN GLY 57 -4.497 2.934 0.239 460 HA2 GLY 57 HA2 GLY 57 -6.677 2.191 -1.593 461 HA3 GLY 57 HA1 GLY 57 -6.172 3.870 -1.460 462 H ASP 58 HN ASP 58 -6.090 2.725 -3.892 463 HA ASP 58 HA ASP 58 -3.422 1.702 -4.422 464 HB2 ASP 58 HB2 ASP 58 -5.312 0.726 -5.625 465 HB3 ASP 58 HB1 ASP 58 -5.741 2.306 -6.267 466 H ALA 59 HN ALA 59 -1.746 2.991 -4.788 467 HA ALA 59 HA ALA 59 -2.290 5.703 -5.821 468 HB1 ALA 59 HB1 ALA 59 -0.325 6.484 -4.635 469 HB2 ALA 59 HB2 ALA 59 -0.010 4.851 -4.045 470 HB3 ALA 59 HB3 ALA 59 -1.454 5.716 -3.520 471 H THR 60 HN THR 60 -1.634 3.069 -7.182 472 HA THR 60 HA THR 60 0.940 3.135 -8.256 473 HB THR 60 HB THR 60 -1.568 2.177 -9.657 474 HG1 THR 60 HG1 THR 60 -1.478 1.045 -7.776 475 HG21 THR 60 HG21 THR 60 1.319 1.349 -10.006 476 HG22 THR 60 HG22 THR 60 0.406 2.361 -11.125 477 HG23 THR 60 HG23 THR 60 -0.067 0.680 -10.867 478 H GLU 61 HN GLU 61 -1.955 4.885 -9.140 479 HA GLU 61 HA GLU 61 -1.200 5.892 -11.629 480 HB2 GLU 61 HB2 GLU 61 -2.829 7.719 -11.133 481 HB3 GLU 61 HB1 GLU 61 -3.465 6.103 -10.871 482 HG2 GLU 61 HG2 GLU 61 -3.079 6.355 -8.459 483 HG3 GLU 61 HG1 GLU 61 -2.474 7.986 -8.742 484 H ASN 62 HN ASN 62 -0.476 7.034 -8.381 485 HA ASN 62 HA ASN 62 0.816 9.446 -9.305 486 HB2 ASN 62 HB2 ASN 62 0.622 8.153 -6.575 487 HB3 ASN 62 HB1 ASN 62 1.490 9.656 -6.872 488 HD21 ASN 62 HD21 ASN 62 -0.953 8.956 -5.280 489 HD22 ASN 62 HD22 ASN 62 -2.150 10.085 -5.805 490 H PHE 63 HN PHE 63 1.761 6.261 -8.181 491 HA PHE 63 HA PHE 63 4.499 6.643 -7.851 492 HB2 PHE 63 HB2 PHE 63 3.037 4.604 -7.295 493 HB3 PHE 63 HB1 PHE 63 3.292 4.117 -8.964 494 HD1 PHE 63 HD2 PHE 63 4.939 4.725 -5.730 495 HD2 PHE 63 HD1 PHE 63 5.340 3.167 -9.675 496 HE1 PHE 63 HE2 PHE 63 7.050 3.643 -5.083 497 HE2 PHE 63 HE1 PHE 63 7.452 2.083 -9.034 498 HZ PHE 63 HZ PHE 63 8.309 2.320 -6.735 499 H GLU 64 HN GLU 64 2.714 5.579 -10.734 500 HA GLU 64 HA GLU 64 5.029 5.463 -12.401 501 HB2 GLU 64 HB2 GLU 64 2.143 5.671 -13.263 502 HB3 GLU 64 HB1 GLU 64 3.487 5.038 -14.202 503 HG2 GLU 64 HG2 GLU 64 2.551 3.793 -11.633 504 HG3 GLU 64 HG1 GLU 64 1.917 3.337 -13.213 505 H ASP 65 HN ASP 65 2.669 7.903 -11.616 506 HA ASP 65 HA ASP 65 3.075 9.654 -13.773 507 HB2 ASP 65 HB2 ASP 65 1.162 9.965 -12.364 508 HB3 ASP 65 HB1 ASP 65 2.171 10.162 -10.935 509 H VAL 66 HN VAL 66 4.567 9.581 -10.552 510 HA VAL 66 HA VAL 66 6.295 11.788 -11.124 511 HB VAL 66 HB VAL 66 6.558 9.746 -8.912 512 HG11 VAL 66 HG11 VAL 66 8.542 11.197 -9.442 513 HG12 VAL 66 HG12 VAL 66 7.926 11.317 -7.796 514 HG13 VAL 66 HG13 VAL 66 7.560 12.583 -8.968 515 HG21 VAL 66 HG21 VAL 66 4.350 10.831 -8.891 516 HG22 VAL 66 HG22 VAL 66 5.136 12.407 -8.857 517 HG23 VAL 66 HG23 VAL 66 5.335 11.296 -7.505 518 H GLY 67 HN GLY 67 6.845 8.283 -10.718 519 HA2 GLY 67 HA2 GLY 67 8.325 6.984 -12.016 520 HA3 GLY 67 HA1 GLY 67 9.071 8.464 -12.603 521 H HIS 68 HN HIS 68 9.382 5.872 -10.503 522 HA HIS 68 HA HIS 68 11.161 7.287 -8.668 523 HB2 HIS 68 HB2 HIS 68 9.881 4.573 -8.649 524 HB3 HIS 68 HB1 HIS 68 11.246 4.928 -7.598 525 HD1 HIS 68 HD1 HIS 68 7.853 6.537 -8.350 526 HD2 HIS 68 HD2 HIS 68 10.476 5.821 -5.203 527 HE1 HIS 68 HE1 HIS 68 6.746 7.468 -6.276 528 H SER 69 HN SER 69 13.185 6.003 -8.030 529 HA SER 69 HA SER 69 14.727 5.626 -10.441 530 HB2 SER 69 HB2 SER 69 16.639 5.475 -8.845 531 HB3 SER 69 HB1 SER 69 15.684 6.943 -8.639 532 HG SER 69 HG SER 69 15.832 6.233 -6.616 533 H THR 70 HN THR 70 16.303 3.804 -10.554 534 HA THR 70 HA THR 70 14.991 1.313 -10.466 535 HB THR 70 HB THR 70 17.922 1.193 -10.520 536 HG1 THR 70 HG1 THR 70 18.148 2.958 -11.667 537 HG21 THR 70 HG21 THR 70 15.777 0.452 -12.515 538 HG22 THR 70 HG22 THR 70 16.494 -0.625 -11.319 539 HG23 THR 70 HG23 THR 70 17.480 0.017 -12.631 540 H ASP 71 HN ASP 71 16.747 3.063 -8.115 541 HA ASP 71 HA ASP 71 17.444 0.756 -6.513 542 HB2 ASP 71 HB2 ASP 71 18.733 3.009 -6.668 543 HB3 ASP 71 HB1 ASP 71 17.503 3.613 -5.563 544 H ALA 72 HN ALA 72 15.167 3.463 -6.405 545 HA ALA 72 HA ALA 72 13.962 2.950 -3.956 546 HB1 ALA 72 HB1 ALA 72 12.625 4.071 -6.408 547 HB2 ALA 72 HB2 ALA 72 13.635 4.991 -5.295 548 HB3 ALA 72 HB3 ALA 72 12.117 4.290 -4.733 549 H ARG 73 HN ARG 73 13.154 1.629 -7.157 550 HA ARG 73 HA ARG 73 10.816 0.284 -6.354 551 HB2 ARG 73 HB2 ARG 73 11.130 -1.096 -8.407 552 HB3 ARG 73 HB1 ARG 73 11.202 0.635 -8.696 553 HG2 ARG 73 HG2 ARG 73 13.071 0.240 -9.817 554 HG3 ARG 73 HG1 ARG 73 13.835 -0.049 -8.252 555 HD2 ARG 73 HD2 ARG 73 14.326 -1.917 -9.655 556 HD3 ARG 73 HD1 ARG 73 13.154 -2.444 -8.448 557 HE ARG 73 HE ARG 73 11.868 -1.583 -10.837 558 HH11 ARG 73 HH11 ARG 73 13.587 -4.266 -9.330 559 HH12 ARG 73 HH12 ARG 73 12.897 -5.486 -10.476 560 HH21 ARG 73 HH21 ARG 73 10.966 -3.093 -12.288 561 HH22 ARG 73 HH22 ARG 73 11.421 -4.833 -12.120 562 H GLU 74 HN GLU 74 14.194 -0.584 -6.110 563 HA GLU 74 HA GLU 74 13.662 -3.330 -5.419 564 HB2 GLU 74 HB2 GLU 74 16.158 -1.641 -5.256 565 HB3 GLU 74 HB1 GLU 74 16.104 -3.338 -4.804 566 HG2 GLU 74 HG2 GLU 74 15.496 -2.222 -7.530 567 HG3 GLU 74 HG1 GLU 74 16.992 -3.021 -7.049 568 H LEU 75 HN LEU 75 14.441 -0.333 -3.747 569 HA LEU 75 HA LEU 75 14.709 -1.354 -1.144 570 HB2 LEU 75 HB2 LEU 75 15.435 0.876 -1.670 571 HB3 LEU 75 HB1 LEU 75 13.821 1.345 -2.163 572 HG LEU 75 HG LEU 75 13.091 1.016 0.227 573 HD11 LEU 75 HD11 LEU 75 14.865 1.054 1.940 574 HD12 LEU 75 HD12 LEU 75 16.068 0.820 0.671 575 HD13 LEU 75 HD13 LEU 75 14.871 -0.437 0.994 576 HD21 LEU 75 HD21 LEU 75 13.955 3.153 0.960 577 HD22 LEU 75 HD22 LEU 75 13.585 3.222 -0.763 578 HD23 LEU 75 HD23 LEU 75 15.257 3.064 -0.227 579 H SER 76 HN SER 76 11.916 -0.610 -3.079 580 HA SER 76 HA SER 76 9.999 -0.544 -0.990 581 HB2 SER 76 HB2 SER 76 9.591 -1.203 -3.920 582 HB3 SER 76 HB1 SER 76 8.340 -0.708 -2.779 583 HG SER 76 HG SER 76 10.570 0.840 -3.631 584 H LYS 77 HN LYS 77 11.714 -3.105 -2.457 585 HA LYS 77 HA LYS 77 9.753 -5.154 -2.154 586 HB2 LYS 77 HB2 LYS 77 12.300 -4.924 -3.316 587 HB3 LYS 77 HB1 LYS 77 12.439 -6.181 -2.094 588 HG2 LYS 77 HG2 LYS 77 10.567 -7.375 -3.091 589 HG3 LYS 77 HG1 LYS 77 10.396 -6.106 -4.308 590 HD2 LYS 77 HD2 LYS 77 12.645 -6.591 -5.132 591 HD3 LYS 77 HD1 LYS 77 12.830 -7.842 -3.903 592 HE2 LYS 77 HE2 LYS 77 10.912 -9.046 -4.882 593 HE3 LYS 77 HE1 LYS 77 10.815 -7.821 -6.147 594 HZ1 LYS 77 HZ1 LYS 77 13.019 -8.434 -6.878 595 HZ2 LYS 77 HZ2 LYS 77 12.021 -9.796 -6.870 596 HZ3 LYS 77 HZ3 LYS 77 13.155 -9.573 -5.638 597 H THR 78 HN THR 78 11.341 -3.445 0.179 598 HA THR 78 HA THR 78 11.514 -5.755 1.978 599 HB THR 78 HB THR 78 13.439 -4.047 1.753 600 HG1 THR 78 HG1 THR 78 13.899 -4.308 3.990 601 HG21 THR 78 HG21 THR 78 12.192 -1.987 1.948 602 HG22 THR 78 HG22 THR 78 13.269 -2.141 3.336 603 HG23 THR 78 HG23 THR 78 11.549 -2.482 3.513 604 H PHE 79 HN PHE 79 9.395 -3.347 1.081 605 HA PHE 79 HA PHE 79 8.120 -3.212 3.726 606 HB2 PHE 79 HB2 PHE 79 7.624 -1.543 1.248 607 HB3 PHE 79 HB1 PHE 79 6.820 -1.330 2.798 608 HD1 PHE 79 HD2 PHE 79 8.647 -1.188 4.822 609 HD2 PHE 79 HD1 PHE 79 9.257 -0.021 0.778 610 HE1 PHE 79 HE2 PHE 79 10.440 0.334 5.538 611 HE2 PHE 79 HE1 PHE 79 11.055 1.503 1.486 612 HZ PHE 79 HZ PHE 79 11.646 1.683 3.868 613 H ILE 80 HN ILE 80 7.965 -4.907 0.876 614 HA ILE 80 HA ILE 80 5.143 -5.087 0.525 615 HB ILE 80 HB ILE 80 6.598 -5.571 -1.338 616 HG12 ILE 80 HG12 ILE 80 5.802 -8.039 -1.787 617 HG13 ILE 80 HG11 ILE 80 4.871 -7.788 -0.314 618 HG21 ILE 80 HG21 ILE 80 8.537 -6.416 -0.196 619 HG22 ILE 80 HG22 ILE 80 8.006 -7.598 -1.393 620 HG23 ILE 80 HG23 ILE 80 7.655 -7.852 0.316 621 HD11 ILE 80 HD11 ILE 80 3.519 -7.303 -2.240 622 HD12 ILE 80 HD12 ILE 80 4.720 -6.153 -2.834 623 HD13 ILE 80 HD13 ILE 80 3.831 -5.812 -1.349 624 H ILE 81 HN ILE 81 3.722 -6.179 1.694 625 HA ILE 81 HA ILE 81 4.685 -8.489 3.250 626 HB ILE 81 HB ILE 81 3.095 -8.021 5.013 627 HG12 ILE 81 HG12 ILE 81 1.537 -6.747 3.324 628 HG13 ILE 81 HG11 ILE 81 1.522 -6.325 5.031 629 HG21 ILE 81 HG21 ILE 81 4.857 -5.675 4.350 630 HG22 ILE 81 HG22 ILE 81 5.278 -7.093 5.310 631 HG23 ILE 81 HG23 ILE 81 4.093 -5.935 5.916 632 HD11 ILE 81 HD11 ILE 81 3.125 -4.479 4.486 633 HD12 ILE 81 HD12 ILE 81 1.514 -4.310 3.791 634 HD13 ILE 81 HD13 ILE 81 2.857 -4.846 2.782 635 H GLY 82 HN GLY 82 2.561 -7.379 0.877 636 HA2 GLY 82 HA2 GLY 82 1.455 -9.954 0.496 637 HA3 GLY 82 HA1 GLY 82 0.284 -8.918 1.291 638 H GLU 83 HN GLU 83 -0.607 -9.797 -0.929 639 HA GLU 83 HA GLU 83 -0.357 -7.572 -2.828 640 HB2 GLU 83 HB2 GLU 83 0.159 -10.414 -3.295 641 HB3 GLU 83 HB1 GLU 83 -1.018 -9.740 -4.410 642 HG2 GLU 83 HG2 GLU 83 0.796 -7.850 -4.659 643 HG3 GLU 83 HG1 GLU 83 1.871 -9.129 -4.095 644 H LEU 84 HN LEU 84 -2.268 -7.530 -4.345 645 HA LEU 84 HA LEU 84 -4.677 -7.695 -2.792 646 HB2 LEU 84 HB2 LEU 84 -3.843 -6.539 -5.363 647 HB3 LEU 84 HB1 LEU 84 -5.505 -7.097 -5.322 648 HG LEU 84 HG LEU 84 -5.853 -5.675 -3.283 649 HD11 LEU 84 HD11 LEU 84 -4.270 -3.986 -2.713 650 HD12 LEU 84 HD12 LEU 84 -3.217 -4.444 -4.050 651 HD13 LEU 84 HD13 LEU 84 -3.438 -5.540 -2.686 652 HD21 LEU 84 HD21 LEU 84 -6.583 -4.943 -5.479 653 HD22 LEU 84 HD22 LEU 84 -4.981 -4.281 -5.807 654 HD23 LEU 84 HD23 LEU 84 -5.985 -3.576 -4.538 655 H HIS 85 HN HIS 85 -6.526 -8.913 -3.271 656 HA HIS 85 HA HIS 85 -6.051 -11.581 -4.091 657 HB2 HIS 85 HB2 HIS 85 -8.543 -10.010 -3.454 658 HB3 HIS 85 HB1 HIS 85 -8.643 -11.667 -4.031 659 HD1 HIS 85 HD1 HIS 85 -9.772 -12.107 -1.634 660 HD2 HIS 85 HD2 HIS 85 -5.728 -11.143 -1.599 661 HE1 HIS 85 HE1 HIS 85 -8.939 -12.777 0.641 662 HE2 HIS 85 HE2 HIS 85 -6.487 -12.191 0.649 663 HA PRO 86 HA PRO 86 -6.393 -11.399 -8.491 664 HB2 PRO 86 HB2 PRO 86 -7.836 -13.733 -8.909 665 HB3 PRO 86 HB1 PRO 86 -6.082 -13.640 -8.721 666 HG2 PRO 86 HG2 PRO 86 -8.151 -14.357 -6.702 667 HG3 PRO 86 HG1 PRO 86 -6.529 -15.034 -6.948 668 HD2 PRO 86 HD2 PRO 86 -7.016 -13.320 -4.963 669 HD3 PRO 86 HD1 PRO 86 -5.479 -13.288 -5.854 670 H ASP 87 HN ASP 87 -9.334 -12.254 -6.712 671 HA ASP 87 HA ASP 87 -11.188 -11.682 -8.733 672 HB2 ASP 87 HB2 ASP 87 -11.430 -11.630 -5.726 673 HB3 ASP 87 HB1 ASP 87 -12.801 -11.387 -6.806 674 H ASP 88 HN ASP 88 -9.795 -9.633 -6.215 675 HA ASP 88 HA ASP 88 -11.280 -7.319 -7.176 676 HB2 ASP 88 HB2 ASP 88 -9.416 -7.791 -4.857 677 HB3 ASP 88 HB1 ASP 88 -9.916 -6.170 -5.321 678 H ARG 89 HN ARG 89 -8.922 -8.806 -8.552 679 HA ARG 89 HA ARG 89 -7.192 -6.463 -8.925 680 HB2 ARG 89 HB2 ARG 89 -6.164 -8.621 -8.123 681 HB3 ARG 89 HB1 ARG 89 -6.583 -9.321 -9.681 682 HG2 ARG 89 HG2 ARG 89 -5.212 -7.565 -10.774 683 HG3 ARG 89 HG1 ARG 89 -4.695 -7.036 -9.170 684 HD2 ARG 89 HD2 ARG 89 -4.322 -9.808 -10.293 685 HD3 ARG 89 HD1 ARG 89 -3.080 -8.559 -10.253 686 HE ARG 89 HE ARG 89 -4.304 -9.438 -7.738 687 HH11 ARG 89 HH11 ARG 89 -1.503 -9.265 -9.873 688 HH12 ARG 89 HH12 ARG 89 -0.362 -9.815 -8.590 689 HH21 ARG 89 HH21 ARG 89 -2.883 -10.129 -6.093 690 HH22 ARG 89 HH22 ARG 89 -1.120 -10.302 -6.491 691 H SER 90 HN SER 90 -8.466 -9.211 -10.847 692 HA SER 90 HA SER 90 -8.528 -7.369 -13.147 693 HB2 SER 90 HB2 SER 90 -8.551 -9.881 -14.243 694 HB3 SER 90 HB1 SER 90 -7.114 -8.883 -14.021 695 HG SER 90 HG SER 90 -6.627 -10.763 -13.030 696 H LYS 91 HN LYS 91 -10.543 -9.101 -11.074 697 HA LYS 91 HA LYS 91 -12.588 -9.486 -13.137 698 HB2 LYS 91 HB2 LYS 91 -12.534 -10.393 -10.256 699 HB3 LYS 91 HB1 LYS 91 -13.818 -10.746 -11.404 700 HG2 LYS 91 HG2 LYS 91 -12.150 -11.924 -12.820 701 HG3 LYS 91 HG1 LYS 91 -10.957 -11.671 -11.545 702 HD2 LYS 91 HD2 LYS 91 -12.434 -12.899 -9.983 703 HD3 LYS 91 HD1 LYS 91 -13.533 -13.223 -11.323 704 HE2 LYS 91 HE2 LYS 91 -10.649 -14.089 -11.165 705 HE3 LYS 91 HE1 LYS 91 -12.045 -15.123 -10.870 706 HZ1 LYS 91 HZ1 LYS 91 -11.212 -15.442 -13.094 707 HZ2 LYS 91 HZ2 LYS 91 -11.361 -13.794 -13.439 708 HZ3 LYS 91 HZ3 LYS 91 -12.746 -14.727 -13.169 709 H LEU 92 HN LEU 92 -12.398 -8.158 -9.832 710 HA LEU 92 HA LEU 92 -13.372 -6.358 -8.844 711 HB2 LEU 92 HB2 LEU 92 -13.566 -5.603 -11.718 712 HB3 LEU 92 HB1 LEU 92 -14.528 -4.694 -10.571 713 HG LEU 92 HG LEU 92 -12.485 -3.506 -10.959 714 HD11 LEU 92 HD11 LEU 92 -11.681 -3.231 -8.749 715 HD12 LEU 92 HD12 LEU 92 -12.164 -4.862 -8.297 716 HD13 LEU 92 HD13 LEU 92 -13.392 -3.641 -8.624 717 HD21 LEU 92 HD21 LEU 92 -11.062 -6.053 -10.196 718 HD22 LEU 92 HD22 LEU 92 -10.285 -4.495 -10.470 719 HD23 LEU 92 HD23 LEU 92 -11.108 -5.316 -11.796 720 H SER 93 HN SER 93 -14.853 -8.836 -9.563 721 HA SER 93 HA SER 93 -17.584 -8.015 -9.969 722 HB2 SER 93 HB2 SER 93 -17.696 -10.642 -9.217 723 HB3 SER 93 HB1 SER 93 -17.440 -10.088 -10.872 724 HG SER 93 HG SER 93 -15.761 -11.441 -9.264 725 H LYS 94 HN LYS 94 -17.081 -6.571 -7.914 726 HA LYS 94 HA LYS 94 -18.438 -7.887 -5.692 727 HB2 LYS 94 HB2 LYS 94 -15.666 -6.808 -5.611 728 HB3 LYS 94 HB1 LYS 94 -16.696 -6.473 -4.226 729 HG2 LYS 94 HG2 LYS 94 -16.991 -8.789 -3.778 730 HG3 LYS 94 HG1 LYS 94 -16.244 -9.245 -5.311 731 HD2 LYS 94 HD2 LYS 94 -14.623 -9.612 -3.613 732 HD3 LYS 94 HD1 LYS 94 -14.130 -8.159 -4.485 733 HE2 LYS 94 HE2 LYS 94 -15.437 -6.901 -2.643 734 HE3 LYS 94 HE1 LYS 94 -15.314 -8.413 -1.744 735 HZ1 LYS 94 HZ1 LYS 94 -13.377 -7.534 -1.063 736 HZ2 LYS 94 HZ2 LYS 94 -13.279 -6.459 -2.367 737 HZ3 LYS 94 HZ3 LYS 94 -12.786 -8.062 -2.567 738 HA PRO 95 HA PRO 95 -20.600 -4.034 -5.653 739 HB2 PRO 95 HB2 PRO 95 -21.736 -4.162 -3.203 740 HB3 PRO 95 HB1 PRO 95 -22.251 -5.197 -4.543 741 HG2 PRO 95 HG2 PRO 95 -20.451 -5.852 -2.255 742 HG3 PRO 95 HG1 PRO 95 -21.745 -6.825 -2.982 743 HD2 PRO 95 HD2 PRO 95 -19.117 -7.216 -3.539 744 HD3 PRO 95 HD1 PRO 95 -20.417 -7.555 -4.699 745 H MET 96 HN MET 96 -21.095 -2.264 -3.784 746 HA MET 96 HA MET 96 -18.573 -1.596 -2.444 747 HB2 MET 96 HB2 MET 96 -18.711 -0.420 -4.654 748 HB3 MET 96 HB1 MET 96 -20.167 0.382 -4.083 749 HG2 MET 96 HG2 MET 96 -19.027 1.711 -2.607 750 HG3 MET 96 HG1 MET 96 -17.678 0.585 -2.464 751 HE1 MET 96 HE1 MET 96 -19.483 3.163 -4.813 752 HE2 MET 96 HE2 MET 96 -19.296 1.754 -5.859 753 HE3 MET 96 HE3 MET 96 -18.380 3.222 -6.189 754 H GLU 97 HN GLU 97 -21.934 -0.506 -2.928 755 HA GLU 97 HA GLU 97 -23.534 0.244 -1.517 756 HB2 GLU 97 HB2 GLU 97 -23.106 -2.037 -0.540 757 HB3 GLU 97 HB1 GLU 97 -22.077 -1.258 0.655 758 HG2 GLU 97 HG2 GLU 97 -23.978 0.061 1.434 759 HG3 GLU 97 HG1 GLU 97 -25.009 -0.717 0.233 760 H THR 98 HN THR 98 -22.994 2.418 -1.630 761 HA THR 98 HA THR 98 -22.068 3.543 0.878 762 HB THR 98 HB THR 98 -20.008 3.292 -0.530 763 HG1 THR 98 HG1 THR 98 -19.993 4.914 1.007 764 HG21 THR 98 HG21 THR 98 -21.457 5.244 -2.317 765 HG22 THR 98 HG22 THR 98 -20.881 3.638 -2.741 766 HG23 THR 98 HG23 THR 98 -19.729 4.924 -2.402 767 H LEU 99 HN LEU 99 -22.342 5.975 0.859 768 HA LEU 99 HA LEU 99 -23.629 7.827 0.629 769 HB2 LEU 99 HB2 LEU 99 -24.197 6.727 -2.129 770 HB3 LEU 99 HB1 LEU 99 -24.593 8.346 -1.584 771 HG LEU 99 HG LEU 99 -21.792 7.241 -1.777 772 HD11 LEU 99 HD11 LEU 99 -22.782 7.468 -3.980 773 HD12 LEU 99 HD12 LEU 99 -21.565 8.715 -3.716 774 HD13 LEU 99 HD13 LEU 99 -23.278 9.119 -3.607 775 HD21 LEU 99 HD21 LEU 99 -22.000 8.966 -0.086 776 HD22 LEU 99 HD22 LEU 99 -22.817 10.024 -1.235 777 HD23 LEU 99 HD23 LEU 99 -21.129 9.585 -1.487 778 H ILE 100 HN ILE 100 -24.715 5.719 1.988 779 HA ILE 100 HA ILE 100 -27.571 5.864 1.253 780 HB ILE 100 HB ILE 100 -27.808 3.722 2.575 781 HG12 ILE 100 HG12 ILE 100 -24.816 3.539 2.166 782 HG13 ILE 100 HG11 ILE 100 -25.563 3.965 3.702 783 HG21 ILE 100 HG21 ILE 100 -26.115 3.611 0.082 784 HG22 ILE 100 HG22 ILE 100 -27.868 3.793 0.127 785 HG23 ILE 100 HG23 ILE 100 -27.120 2.308 0.715 786 HD11 ILE 100 HD11 ILE 100 -24.896 1.606 3.571 787 HD12 ILE 100 HD12 ILE 100 -26.013 1.382 2.228 788 HD13 ILE 100 HD13 ILE 100 -26.627 1.807 3.822 789 H THR 101 HN THR 101 -25.552 7.315 3.222 790 HA THR 101 HA THR 101 -27.522 7.483 5.379 791 HB THR 101 HB THR 101 -25.160 7.743 6.768 792 HG1 THR 101 HG1 THR 101 -24.588 5.314 5.714 793 HG21 THR 101 HG21 THR 101 -25.738 5.604 7.782 794 HG22 THR 101 HG22 THR 101 -26.791 5.226 6.418 795 HG23 THR 101 HG23 THR 101 -27.192 6.564 7.495 796 H THR 102 HN THR 102 -28.066 9.536 5.695 797 HA THR 102 HA THR 102 -26.660 11.701 4.512 798 HB THR 102 HB THR 102 -28.387 12.735 6.476 799 HG1 THR 102 HG1 THR 102 -29.770 10.697 5.083 800 HG21 THR 102 HG21 THR 102 -28.073 13.571 4.178 801 HG22 THR 102 HG22 THR 102 -29.778 13.345 4.569 802 HG23 THR 102 HG23 THR 102 -28.939 12.165 3.560 803 H VAL 103 HN VAL 103 -24.893 12.634 5.260 804 HA VAL 103 HA VAL 103 -24.570 13.025 8.143 805 HB VAL 103 HB VAL 103 -22.111 12.467 7.877 806 HG11 VAL 103 HG11 VAL 103 -24.128 10.246 7.575 807 HG12 VAL 103 HG12 VAL 103 -23.618 11.006 9.082 808 HG13 VAL 103 HG13 VAL 103 -22.472 10.048 8.147 809 HG21 VAL 103 HG21 VAL 103 -21.604 10.820 6.061 810 HG22 VAL 103 HG22 VAL 103 -21.885 12.467 5.498 811 HG23 VAL 103 HG23 VAL 103 -23.146 11.247 5.322 812 H ASP 104 HN ASP 104 -25.329 14.782 5.993 813 HA ASP 104 HA ASP 104 -23.143 16.726 6.199 814 HB2 ASP 104 HB2 ASP 104 -23.265 17.352 3.935 815 HB3 ASP 104 HB1 ASP 104 -23.306 15.594 3.894 816 HHB HEM 400 HB HEM 400 11.677 5.025 -1.913 817 HHC HEM 400 HC HEM 400 5.357 4.965 -2.144 818 HHD HEM 400 HD HEM 400 5.405 10.765 -4.700 819 HMA HEM 400 HMA1 HEM 400 13.846 5.468 -3.081 820 HMAA HEM 400 HMA2 HEM 400 13.923 6.288 -1.526 821 HMAB HEM 400 HMA3 HEM 400 14.814 6.938 -2.899 822 HAA HEM 400 HAA1 HEM 400 14.677 9.203 -3.183 823 HAAA HEM 400 HAA2 HEM 400 13.677 10.266 -4.160 824 HBA HEM 400 HBA1 HEM 400 14.710 9.456 -5.979 825 HBAA HEM 400 HBA2 HEM 400 13.960 7.896 -5.659 826 HMB HEM 400 HMB1 HEM 400 10.094 2.160 -1.740 827 HMBA HEM 400 HMB2 HEM 400 9.721 2.677 -0.087 828 HMBB HEM 400 HMB3 HEM 400 11.093 3.371 -0.952 829 HAB HEM 400 HAB HEM 400 6.355 2.511 -1.950 830 HBB HEM 400 HBB1 HEM 400 7.602 2.858 0.892 831 HBBA HEM 400 HBB2 HEM 400 6.275 1.597 0.306 832 HMC HEM 400 HMC1 HEM 400 2.262 6.870 -3.261 833 HMCA HEM 400 HMC2 HEM 400 3.059 6.279 -1.797 834 HMCB HEM 400 HMC3 HEM 400 3.258 5.428 -3.332 835 HAC HEM 400 HAC HEM 400 3.189 9.796 -4.995 836 HBC HEM 400 HBC1 HEM 400 1.953 8.833 -2.284 837 HBCA HEM 400 HBC2 HEM 400 1.187 9.987 -3.614 838 HMD HEM 400 HMD1 HEM 400 5.998 12.536 -5.457 839 HMDA HEM 400 HMD2 HEM 400 7.215 12.947 -6.668 840 HMDB HEM 400 HMD3 HEM 400 7.252 13.701 -5.069 841 HAD HEM 400 HAD1 HEM 400 9.615 13.662 -5.709 842 HADA HEM 400 HAD2 HEM 400 10.987 12.864 -4.955 843 HBD HEM 400 HBD1 HEM 400 9.944 12.481 -7.764 844 HBDA HEM 400 HBD2 HEM 400 11.097 11.372 -7.020 845 HHA HEM 400 HA HEM 400 11.737 10.725 -4.661 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 21.069 -14.277 17.191 2 H2 MET 1 HT2 MET 1 22.098 -13.674 18.387 3 H3 MET 1 HT3 MET 1 21.454 -12.635 17.218 4 HA MET 1 HA MET 1 19.784 -14.152 19.114 5 HB2 MET 1 HB2 MET 1 21.153 -11.510 19.416 6 HB3 MET 1 HB1 MET 1 19.562 -11.731 20.128 7 HG2 MET 1 HG2 MET 1 21.334 -12.166 21.739 8 HG3 MET 1 HG1 MET 1 20.373 -13.611 21.427 9 HE1 MET 1 HE1 MET 1 23.860 -15.207 22.054 10 HE2 MET 1 HE2 MET 1 22.154 -15.187 22.492 11 HE3 MET 1 HE3 MET 1 23.182 -13.813 22.891 12 H ALA 2 HN ALA 2 19.928 -10.971 17.512 13 HA ALA 2 HA ALA 2 17.161 -11.416 16.616 14 HB1 ALA 2 HB1 ALA 2 17.493 -9.495 18.130 15 HB2 ALA 2 HB2 ALA 2 16.926 -9.005 16.534 16 HB3 ALA 2 HB3 ALA 2 18.623 -8.800 16.968 17 H ALA 3 HN ALA 3 17.627 -12.498 14.701 18 HA ALA 3 HA ALA 3 18.545 -10.778 12.550 19 HB1 ALA 3 HB1 ALA 3 20.612 -11.841 13.270 20 HB2 ALA 3 HB2 ALA 3 20.134 -12.433 11.680 21 HB3 ALA 3 HB3 ALA 3 19.868 -13.431 13.108 22 H GLN 4 HN GLN 4 16.459 -10.873 11.739 23 HA GLN 4 HA GLN 4 15.664 -13.505 10.697 24 HB2 GLN 4 HB2 GLN 4 13.311 -12.741 10.850 25 HB3 GLN 4 HB1 GLN 4 14.099 -12.862 12.414 26 HG2 GLN 4 HG2 GLN 4 14.471 -10.403 12.346 27 HG3 GLN 4 HG1 GLN 4 13.512 -10.347 10.868 28 HE21 GLN 4 HE21 GLN 4 11.912 -9.087 11.736 29 HE22 GLN 4 HE22 GLN 4 10.798 -9.673 12.921 30 H SER 5 HN SER 5 15.149 -13.633 8.584 31 HA SER 5 HA SER 5 14.647 -11.285 6.992 32 HB2 SER 5 HB2 SER 5 17.118 -12.945 6.414 33 HB3 SER 5 HB1 SER 5 16.534 -11.580 5.466 34 HG SER 5 HG SER 5 16.762 -10.737 7.957 35 H ASP 6 HN ASP 6 12.797 -12.110 6.160 36 HA ASP 6 HA ASP 6 13.059 -14.405 4.388 37 HB2 ASP 6 HB2 ASP 6 12.089 -14.921 6.857 38 HB3 ASP 6 HB1 ASP 6 10.598 -14.456 6.042 39 H LYS 7 HN LYS 7 10.777 -14.733 3.286 40 HA LYS 7 HA LYS 7 9.491 -12.148 2.819 41 HB2 LYS 7 HB2 LYS 7 10.893 -13.787 0.714 42 HB3 LYS 7 HB1 LYS 7 9.599 -12.667 0.303 43 HG2 LYS 7 HG2 LYS 7 12.046 -11.834 1.834 44 HG3 LYS 7 HG1 LYS 7 11.953 -11.790 0.072 45 HD2 LYS 7 HD2 LYS 7 10.345 -10.114 0.071 46 HD3 LYS 7 HD1 LYS 7 9.838 -10.462 1.723 47 HE2 LYS 7 HE2 LYS 7 12.599 -9.458 1.141 48 HE3 LYS 7 HE1 LYS 7 11.240 -8.343 1.257 49 HZ1 LYS 7 HZ1 LYS 7 10.883 -8.912 3.488 50 HZ2 LYS 7 HZ2 LYS 7 12.564 -8.761 3.357 51 HZ3 LYS 7 HZ3 LYS 7 11.854 -10.296 3.400 52 H ASP 8 HN ASP 8 7.424 -12.504 3.158 53 HA ASP 8 HA ASP 8 6.215 -14.980 2.121 54 HB2 ASP 8 HB2 ASP 8 6.385 -15.048 4.582 55 HB3 ASP 8 HB1 ASP 8 5.508 -13.527 4.684 56 H VAL 9 HN VAL 9 4.507 -14.673 0.805 57 HA VAL 9 HA VAL 9 3.527 -11.918 0.552 58 HB VAL 9 HB VAL 9 4.419 -12.634 -1.522 59 HG11 VAL 9 HG11 VAL 9 2.782 -15.145 -1.205 60 HG12 VAL 9 HG12 VAL 9 4.540 -15.005 -1.228 61 HG13 VAL 9 HG13 VAL 9 3.611 -14.682 -2.691 62 HG21 VAL 9 HG21 VAL 9 2.354 -11.400 -1.761 63 HG22 VAL 9 HG22 VAL 9 1.415 -12.886 -1.632 64 HG23 VAL 9 HG23 VAL 9 2.464 -12.625 -3.026 65 H LYS 10 HN LYS 10 1.813 -11.621 1.784 66 HA LYS 10 HA LYS 10 -0.217 -13.721 1.979 67 HB2 LYS 10 HB2 LYS 10 0.706 -12.656 4.053 68 HB3 LYS 10 HB1 LYS 10 -0.008 -11.137 3.535 69 HG2 LYS 10 HG2 LYS 10 -2.158 -11.853 3.936 70 HG3 LYS 10 HG1 LYS 10 -1.729 -13.557 3.802 71 HD2 LYS 10 HD2 LYS 10 -0.750 -11.789 6.034 72 HD3 LYS 10 HD1 LYS 10 -2.241 -12.726 6.133 73 HE2 LYS 10 HE2 LYS 10 0.530 -13.834 5.686 74 HE3 LYS 10 HE1 LYS 10 -0.384 -13.910 7.191 75 HZ1 LYS 10 HZ1 LYS 10 -1.089 -15.222 4.624 76 HZ2 LYS 10 HZ2 LYS 10 -2.081 -15.213 5.989 77 HZ3 LYS 10 HZ3 LYS 10 -0.573 -15.983 6.043 78 H TYR 11 HN TYR 11 -2.132 -13.556 1.002 79 HA TYR 11 HA TYR 11 -2.585 -11.289 -0.734 80 HB2 TYR 11 HB2 TYR 11 -3.862 -13.985 -0.413 81 HB3 TYR 11 HB1 TYR 11 -4.679 -12.723 -1.330 82 HD1 TYR 11 HD2 TYR 11 -1.792 -14.990 -1.240 83 HD2 TYR 11 HD1 TYR 11 -3.808 -11.973 -3.460 84 HE1 TYR 11 HE2 TYR 11 -0.451 -15.562 -3.223 85 HE2 TYR 11 HE1 TYR 11 -2.472 -12.532 -5.447 86 HH TYR 11 HH TYR 11 -0.730 -15.328 -5.768 87 H TYR 12 HN TYR 12 -3.434 -9.537 0.131 88 HA TYR 12 HA TYR 12 -5.450 -9.784 2.242 89 HB2 TYR 12 HB2 TYR 12 -3.681 -7.541 1.305 90 HB3 TYR 12 HB1 TYR 12 -5.099 -7.213 2.296 91 HD1 TYR 12 HD2 TYR 12 -5.269 -8.426 4.544 92 HD2 TYR 12 HD1 TYR 12 -1.657 -8.176 2.311 93 HE1 TYR 12 HE2 TYR 12 -3.984 -8.926 6.577 94 HE2 TYR 12 HE1 TYR 12 -0.365 -8.681 4.340 95 HH TYR 12 HH TYR 12 -1.757 -9.893 7.139 96 H THR 13 HN THR 13 -7.400 -8.511 2.118 97 HA THR 13 HA THR 13 -8.432 -8.396 -0.605 98 HB THR 13 HB THR 13 -10.498 -7.750 1.156 99 HG1 THR 13 HG1 THR 13 -10.271 -9.095 2.885 100 HG21 THR 13 HG21 THR 13 -11.275 -10.050 0.667 101 HG22 THR 13 HG22 THR 13 -9.688 -10.419 -0.004 102 HG23 THR 13 HG23 THR 13 -10.711 -9.209 -0.776 103 H LEU 14 HN LEU 14 -9.716 -6.581 -1.307 104 HA LEU 14 HA LEU 14 -8.464 -4.110 -1.017 105 HB2 LEU 14 HB2 LEU 14 -9.822 -4.687 -2.937 106 HB3 LEU 14 HB1 LEU 14 -11.258 -4.769 -1.936 107 HG LEU 14 HG LEU 14 -10.838 -2.281 -1.445 108 HD11 LEU 14 HD11 LEU 14 -9.606 -1.069 -3.157 109 HD12 LEU 14 HD12 LEU 14 -9.152 -2.588 -3.926 110 HD13 LEU 14 HD13 LEU 14 -8.550 -2.202 -2.316 111 HD21 LEU 14 HD21 LEU 14 -12.015 -1.615 -3.468 112 HD22 LEU 14 HD22 LEU 14 -12.666 -3.124 -2.831 113 HD23 LEU 14 HD23 LEU 14 -11.595 -3.149 -4.232 114 H GLU 15 HN GLU 15 -11.365 -5.378 0.548 115 HA GLU 15 HA GLU 15 -11.964 -2.970 1.962 116 HB2 GLU 15 HB2 GLU 15 -13.554 -4.404 3.231 117 HB3 GLU 15 HB1 GLU 15 -13.745 -4.512 1.488 118 HG2 GLU 15 HG2 GLU 15 -11.980 -6.497 2.793 119 HG3 GLU 15 HG1 GLU 15 -13.716 -6.645 3.068 120 H GLU 16 HN GLU 16 -9.496 -5.162 2.404 121 HA GLU 16 HA GLU 16 -9.467 -4.859 5.313 122 HB2 GLU 16 HB2 GLU 16 -9.082 -7.110 4.422 123 HB3 GLU 16 HB1 GLU 16 -7.708 -6.519 3.498 124 HG2 GLU 16 HG2 GLU 16 -7.027 -7.697 5.530 125 HG3 GLU 16 HG1 GLU 16 -6.510 -6.013 5.527 126 H ILE 17 HN ILE 17 -7.456 -4.220 2.459 127 HA ILE 17 HA ILE 17 -5.380 -2.959 3.920 128 HB ILE 17 HB ILE 17 -4.704 -2.008 1.664 129 HG12 ILE 17 HG12 ILE 17 -5.896 -3.562 -0.171 130 HG13 ILE 17 HG11 ILE 17 -7.244 -3.373 0.943 131 HG21 ILE 17 HG21 ILE 17 -3.956 -4.202 0.825 132 HG22 ILE 17 HG22 ILE 17 -5.046 -4.987 1.969 133 HG23 ILE 17 HG23 ILE 17 -3.697 -4.013 2.559 134 HD11 ILE 17 HD11 ILE 17 -7.105 -1.727 -0.963 135 HD12 ILE 17 HD12 ILE 17 -5.713 -1.029 -0.135 136 HD13 ILE 17 HD13 ILE 17 -7.291 -1.045 0.653 137 H LYS 18 HN LYS 18 -8.372 -1.762 2.542 138 HA LYS 18 HA LYS 18 -7.580 1.000 2.903 139 HB2 LYS 18 HB2 LYS 18 -9.695 1.605 1.981 140 HB3 LYS 18 HB1 LYS 18 -9.077 0.259 1.033 141 HG2 LYS 18 HG2 LYS 18 -10.756 -1.113 1.643 142 HG3 LYS 18 HG1 LYS 18 -10.828 -0.469 3.285 143 HD2 LYS 18 HD2 LYS 18 -12.876 0.057 2.073 144 HD3 LYS 18 HD1 LYS 18 -11.981 1.531 2.446 145 HE2 LYS 18 HE2 LYS 18 -11.081 1.557 0.167 146 HE3 LYS 18 HE1 LYS 18 -11.987 0.091 -0.206 147 HZ1 LYS 18 HZ1 LYS 18 -13.051 2.795 0.371 148 HZ2 LYS 18 HZ2 LYS 18 -14.029 1.415 0.419 149 HZ3 LYS 18 HZ3 LYS 18 -13.270 1.861 -1.022 150 H LYS 19 HN LYS 19 -8.352 -1.276 5.035 151 HA LYS 19 HA LYS 19 -9.741 0.625 6.810 152 HB2 LYS 19 HB2 LYS 19 -10.600 -1.917 6.002 153 HB3 LYS 19 HB1 LYS 19 -9.995 -2.139 7.637 154 HG2 LYS 19 HG2 LYS 19 -12.345 -1.679 7.716 155 HG3 LYS 19 HG1 LYS 19 -11.466 -0.307 8.393 156 HD2 LYS 19 HD2 LYS 19 -12.338 1.076 6.878 157 HD3 LYS 19 HD1 LYS 19 -11.840 0.019 5.554 158 HE2 LYS 19 HE2 LYS 19 -14.260 0.337 5.556 159 HE3 LYS 19 HE1 LYS 19 -13.840 -1.342 5.888 160 HZ1 LYS 19 HZ1 LYS 19 -14.175 -0.891 8.256 161 HZ2 LYS 19 HZ2 LYS 19 -15.580 -0.608 7.364 162 HZ3 LYS 19 HZ3 LYS 19 -14.644 0.690 7.898 163 H HIS 20 HN HIS 20 -7.023 -1.254 6.202 164 HA HIS 20 HA HIS 20 -6.166 -1.394 8.983 165 HB2 HIS 20 HB2 HIS 20 -5.805 -3.073 6.835 166 HB3 HIS 20 HB1 HIS 20 -4.265 -2.224 6.907 167 HD1 HIS 20 HD1 HIS 20 -6.005 -5.066 8.286 168 HD2 HIS 20 HD2 HIS 20 -3.082 -2.424 9.645 169 HE1 HIS 20 HE1 HIS 20 -4.875 -6.224 10.212 170 HE2 HIS 20 HE2 HIS 20 -3.106 -4.621 11.015 171 H ASN 21 HN ASN 21 -6.203 0.863 6.659 172 HA ASN 21 HA ASN 21 -3.525 1.846 6.697 173 HB2 ASN 21 HB2 ASN 21 -4.528 3.856 5.592 174 HB3 ASN 21 HB1 ASN 21 -4.889 2.337 4.784 175 HD21 ASN 21 HD21 ASN 21 -6.329 4.681 4.385 176 HD22 ASN 21 HD22 ASN 21 -7.934 4.457 4.992 177 H HIS 22 HN HIS 22 -3.144 1.894 8.971 178 HA HIS 22 HA HIS 22 -4.399 4.192 10.331 179 HB2 HIS 22 HB2 HIS 22 -3.077 1.751 11.543 180 HB3 HIS 22 HB1 HIS 22 -3.756 3.093 12.454 181 HD1 HIS 22 HD1 HIS 22 -4.859 0.351 13.024 182 HD2 HIS 22 HD2 HIS 22 -6.436 2.822 10.076 183 HE1 HIS 22 HE1 HIS 22 -7.192 -0.483 12.612 184 HE2 HIS 22 HE2 HIS 22 -8.021 0.866 10.659 185 H SER 23 HN SER 23 -2.828 5.093 12.099 186 HA SER 23 HA SER 23 -0.664 6.289 10.808 187 HB2 SER 23 HB2 SER 23 -0.329 6.144 13.700 188 HB3 SER 23 HB1 SER 23 -0.616 7.547 12.672 189 HG SER 23 HG SER 23 -2.370 7.305 14.041 190 H LYS 24 HN LYS 24 -0.755 3.521 13.016 191 HA LYS 24 HA LYS 24 2.096 3.069 12.530 192 HB2 LYS 24 HB2 LYS 24 1.618 1.207 14.335 193 HB3 LYS 24 HB1 LYS 24 1.861 2.882 14.806 194 HG2 LYS 24 HG2 LYS 24 -0.430 3.220 15.185 195 HG3 LYS 24 HG1 LYS 24 -0.873 1.741 14.326 196 HD2 LYS 24 HD2 LYS 24 -0.233 0.377 16.073 197 HD3 LYS 24 HD1 LYS 24 0.896 1.564 16.724 198 HE2 LYS 24 HE2 LYS 24 -2.051 2.094 16.718 199 HE3 LYS 24 HE1 LYS 24 -1.318 1.110 17.984 200 HZ1 LYS 24 HZ1 LYS 24 0.129 2.939 18.546 201 HZ2 LYS 24 HZ2 LYS 24 -1.480 3.447 18.613 202 HZ3 LYS 24 HZ3 LYS 24 -0.512 3.882 17.297 203 H SER 25 HN SER 25 -0.070 2.533 10.587 204 HA SER 25 HA SER 25 0.802 -0.085 9.767 205 HB2 SER 25 HB2 SER 25 -2.144 0.365 10.320 206 HB3 SER 25 HB1 SER 25 -1.432 -1.080 9.607 207 HG SER 25 HG SER 25 -0.201 -0.494 11.926 208 H THR 26 HN THR 26 1.252 2.349 8.638 209 HA THR 26 HA THR 26 -0.682 3.036 6.661 210 HB THR 26 HB THR 26 2.172 3.790 6.306 211 HG1 THR 26 HG1 THR 26 0.517 4.628 8.478 212 HG21 THR 26 HG21 THR 26 1.117 6.007 5.917 213 HG22 THR 26 HG22 THR 26 -0.456 5.280 6.224 214 HG23 THR 26 HG23 THR 26 0.500 4.756 4.840 215 H TRP 27 HN TRP 27 -1.161 1.699 5.056 216 HA TRP 27 HA TRP 27 1.020 0.279 3.685 217 HB2 TRP 27 HB2 TRP 27 -1.845 -0.491 4.190 218 HB3 TRP 27 HB1 TRP 27 -0.920 -1.231 2.891 219 HD1 TRP 27 HD1 TRP 27 1.620 -0.861 5.360 220 HE1 TRP 27 HE1 TRP 27 1.862 -2.945 6.847 221 HE3 TRP 27 HE3 TRP 27 -2.821 -3.147 4.270 222 HZ2 TRP 27 HZ2 TRP 27 0.361 -5.265 7.474 223 HZ3 TRP 27 HZ3 TRP 27 -3.346 -5.291 5.354 224 HH2 TRP 27 HH2 TRP 27 -1.788 -6.326 6.921 225 H LEU 28 HN LEU 28 0.957 0.181 1.415 226 HA LEU 28 HA LEU 28 -1.010 1.857 0.043 227 HB2 LEU 28 HB2 LEU 28 1.682 2.626 0.564 228 HB3 LEU 28 HB1 LEU 28 1.535 2.318 -1.153 229 HG LEU 28 HG LEU 28 -0.497 4.058 0.180 230 HD11 LEU 28 HD11 LEU 28 2.285 4.890 -0.609 231 HD12 LEU 28 HD12 LEU 28 1.545 5.008 0.985 232 HD13 LEU 28 HD13 LEU 28 0.950 6.009 -0.338 233 HD21 LEU 28 HD21 LEU 28 -0.375 5.162 -2.051 234 HD22 LEU 28 HD22 LEU 28 -0.908 3.482 -2.098 235 HD23 LEU 28 HD23 LEU 28 0.745 3.895 -2.556 236 H ILE 29 HN ILE 29 -1.427 1.225 -2.061 237 HA ILE 29 HA ILE 29 -0.272 -1.366 -2.795 238 HB ILE 29 HB ILE 29 -2.622 -0.022 -4.125 239 HG12 ILE 29 HG12 ILE 29 -2.723 -2.067 -1.901 240 HG13 ILE 29 HG11 ILE 29 -3.044 -0.348 -1.683 241 HG21 ILE 29 HG21 ILE 29 -3.139 -2.278 -4.878 242 HG22 ILE 29 HG22 ILE 29 -1.749 -2.903 -3.994 243 HG23 ILE 29 HG23 ILE 29 -1.507 -1.821 -5.366 244 HD11 ILE 29 HD11 ILE 29 -4.590 -2.127 -3.551 245 HD12 ILE 29 HD12 ILE 29 -4.965 -0.464 -3.095 246 HD13 ILE 29 HD13 ILE 29 -5.077 -1.754 -1.897 247 H LEU 30 HN LEU 30 1.274 -1.419 -4.227 248 HA LEU 30 HA LEU 30 1.319 0.575 -6.390 249 HB2 LEU 30 HB2 LEU 30 3.717 -0.481 -4.879 250 HB3 LEU 30 HB1 LEU 30 3.785 0.562 -6.285 251 HG LEU 30 HG LEU 30 2.517 1.350 -3.663 252 HD11 LEU 30 HD11 LEU 30 4.521 2.674 -3.279 253 HD12 LEU 30 HD12 LEU 30 5.240 2.035 -4.757 254 HD13 LEU 30 HD13 LEU 30 4.912 0.961 -3.398 255 HD21 LEU 30 HD21 LEU 30 3.261 2.931 -6.121 256 HD22 LEU 30 HD22 LEU 30 2.682 3.621 -4.605 257 HD23 LEU 30 HD23 LEU 30 1.630 2.572 -5.554 258 H HIS 31 HN HIS 31 0.969 -0.482 -8.213 259 HA HIS 31 HA HIS 31 1.086 -2.030 -9.877 260 HB2 HIS 31 HB2 HIS 31 3.561 -2.750 -8.338 261 HB3 HIS 31 HB1 HIS 31 3.004 -3.814 -9.623 262 HD1 HIS 31 HD1 HIS 31 3.573 -3.154 -11.991 263 HD2 HIS 31 HD2 HIS 31 4.283 -0.109 -9.246 264 HE1 HIS 31 HE1 HIS 31 4.828 -1.383 -13.252 265 HE2 HIS 31 HE2 HIS 31 5.324 0.412 -11.560 266 H HIS 32 HN HIS 32 -0.558 -2.359 -7.588 267 HA HIS 32 HA HIS 32 -2.081 -3.807 -6.764 268 HB2 HIS 32 HB2 HIS 32 -0.879 -5.702 -8.786 269 HB3 HIS 32 HB1 HIS 32 -2.276 -6.097 -7.789 270 HD1 HIS 32 HD1 HIS 32 -1.648 -5.102 -11.065 271 HD2 HIS 32 HD2 HIS 32 -4.222 -3.672 -8.139 272 HE1 HIS 32 HE1 HIS 32 -3.430 -3.826 -12.298 273 HE2 HIS 32 HE2 HIS 32 -4.826 -2.777 -10.480 274 H LYS 33 HN LYS 33 0.823 -3.650 -5.870 275 HA LYS 33 HA LYS 33 0.864 -6.084 -4.212 276 HB2 LYS 33 HB2 LYS 33 3.123 -4.228 -4.991 277 HB3 LYS 33 HB1 LYS 33 3.284 -5.603 -3.910 278 HG2 LYS 33 HG2 LYS 33 2.743 -7.125 -5.706 279 HG3 LYS 33 HG1 LYS 33 2.446 -5.768 -6.795 280 HD2 LYS 33 HD2 LYS 33 4.746 -5.112 -6.716 281 HD3 LYS 33 HD1 LYS 33 5.087 -6.279 -5.439 282 HE2 LYS 33 HE2 LYS 33 4.133 -7.046 -8.187 283 HE3 LYS 33 HE1 LYS 33 5.834 -6.941 -7.742 284 HZ1 LYS 33 HZ1 LYS 33 3.793 -8.767 -6.594 285 HZ2 LYS 33 HZ2 LYS 33 5.359 -8.582 -5.969 286 HZ3 LYS 33 HZ3 LYS 33 5.139 -9.187 -7.531 287 H VAL 34 HN VAL 34 1.187 -5.859 -1.974 288 HA VAL 34 HA VAL 34 0.455 -3.220 -0.943 289 HB VAL 34 HB VAL 34 0.629 -5.763 0.672 290 HG11 VAL 34 HG11 VAL 34 -0.961 -4.605 2.132 291 HG12 VAL 34 HG12 VAL 34 -0.921 -3.204 1.059 292 HG13 VAL 34 HG13 VAL 34 0.530 -3.684 1.936 293 HG21 VAL 34 HG21 VAL 34 -1.748 -6.102 0.296 294 HG22 VAL 34 HG22 VAL 34 -0.875 -6.141 -1.236 295 HG23 VAL 34 HG23 VAL 34 -1.796 -4.708 -0.782 296 H TYR 35 HN TYR 35 1.994 -1.924 -0.245 297 HA TYR 35 HA TYR 35 4.462 -3.127 0.827 298 HB2 TYR 35 HB2 TYR 35 4.026 -0.545 -0.673 299 HB3 TYR 35 HB1 TYR 35 5.506 -0.893 0.214 300 HD1 TYR 35 HD2 TYR 35 6.842 -2.955 -0.451 301 HD2 TYR 35 HD1 TYR 35 3.729 -1.349 -2.867 302 HE1 TYR 35 HE2 TYR 35 7.740 -4.154 -2.398 303 HE2 TYR 35 HE1 TYR 35 4.618 -2.550 -4.822 304 HH TYR 35 HH TYR 35 6.867 -3.476 -5.540 305 H ASP 36 HN ASP 36 5.238 -2.460 2.758 306 HA ASP 36 HA ASP 36 3.437 -0.876 4.421 307 HB2 ASP 36 HB2 ASP 36 4.088 -2.872 5.515 308 HB3 ASP 36 HB1 ASP 36 5.769 -2.691 5.024 309 H LEU 37 HN LEU 37 3.820 1.161 4.969 310 HA LEU 37 HA LEU 37 6.561 2.192 4.826 311 HB2 LEU 37 HB2 LEU 37 5.861 4.178 3.645 312 HB3 LEU 37 HB1 LEU 37 5.440 2.760 2.705 313 HG LEU 37 HG LEU 37 3.322 3.823 4.481 314 HD11 LEU 37 HD11 LEU 37 4.141 5.239 1.950 315 HD12 LEU 37 HD12 LEU 37 4.275 5.886 3.584 316 HD13 LEU 37 HD13 LEU 37 2.686 5.558 2.893 317 HD21 LEU 37 HD21 LEU 37 1.911 3.196 2.619 318 HD22 LEU 37 HD22 LEU 37 3.003 1.870 3.021 319 HD23 LEU 37 HD23 LEU 37 3.333 2.887 1.619 320 H THR 38 HN THR 38 4.594 1.441 6.956 321 HA THR 38 HA THR 38 3.502 3.736 8.135 322 HB THR 38 HB THR 38 2.878 1.425 8.782 323 HG1 THR 38 HG1 THR 38 3.143 3.561 10.318 324 HG21 THR 38 HG21 THR 38 5.411 1.420 10.416 325 HG22 THR 38 HG22 THR 38 5.219 0.532 8.907 326 HG23 THR 38 HG23 THR 38 4.211 0.136 10.299 327 H LYS 39 HN LYS 39 6.754 2.421 8.286 328 HA LYS 39 HA LYS 39 7.473 4.541 10.195 329 HB2 LYS 39 HB2 LYS 39 8.886 1.992 9.412 330 HB3 LYS 39 HB1 LYS 39 9.638 3.240 10.392 331 HG2 LYS 39 HG2 LYS 39 7.148 1.708 11.123 332 HG3 LYS 39 HG1 LYS 39 8.766 1.402 11.749 333 HD2 LYS 39 HD2 LYS 39 8.191 2.786 13.416 334 HD3 LYS 39 HD1 LYS 39 8.439 4.078 12.241 335 HE2 LYS 39 HE2 LYS 39 6.080 4.043 11.663 336 HE3 LYS 39 HE1 LYS 39 5.813 2.686 12.755 337 HZ1 LYS 39 HZ1 LYS 39 6.284 4.053 14.618 338 HZ2 LYS 39 HZ2 LYS 39 5.180 4.899 13.661 339 HZ3 LYS 39 HZ3 LYS 39 6.810 5.333 13.647 340 H PHE 40 HN PHE 40 7.183 4.267 7.039 341 HA PHE 40 HA PHE 40 9.758 5.519 6.397 342 HB2 PHE 40 HB2 PHE 40 8.697 3.491 5.101 343 HB3 PHE 40 HB1 PHE 40 7.763 4.755 4.305 344 HD1 PHE 40 HD1 PHE 40 11.303 4.046 5.249 345 HD2 PHE 40 HD2 PHE 40 8.613 5.605 2.343 346 HE1 PHE 40 HE1 PHE 40 13.194 4.475 3.739 347 HE2 PHE 40 HE2 PHE 40 10.502 6.037 0.823 348 HZ PHE 40 HZ PHE 40 12.798 5.472 1.521 349 H LEU 41 HN LEU 41 6.661 6.350 7.203 350 HA LEU 41 HA LEU 41 5.914 8.370 5.458 351 HB2 LEU 41 HB2 LEU 41 5.533 8.204 8.446 352 HB3 LEU 41 HB1 LEU 41 4.718 9.363 7.415 353 HG LEU 41 HG LEU 41 4.440 6.396 7.001 354 HD11 LEU 41 HD11 LEU 41 3.748 6.877 9.280 355 HD12 LEU 41 HD12 LEU 41 2.341 6.549 8.267 356 HD13 LEU 41 HD13 LEU 41 2.740 8.208 8.710 357 HD21 LEU 41 HD21 LEU 41 2.301 8.326 6.364 358 HD22 LEU 41 HD22 LEU 41 2.860 6.913 5.471 359 HD23 LEU 41 HD23 LEU 41 3.757 8.425 5.375 360 H GLU 42 HN GLU 42 7.836 8.662 8.435 361 HA GLU 42 HA GLU 42 8.486 11.419 7.826 362 HB2 GLU 42 HB2 GLU 42 9.760 11.289 9.983 363 HB3 GLU 42 HB1 GLU 42 8.045 10.932 10.124 364 HG2 GLU 42 HG2 GLU 42 8.462 8.599 10.315 365 HG3 GLU 42 HG1 GLU 42 10.154 8.806 9.872 366 H GLU 43 HN GLU 43 9.479 9.010 6.245 367 HA GLU 43 HA GLU 43 12.301 9.832 6.197 368 HB2 GLU 43 HB2 GLU 43 11.206 7.023 6.229 369 HB3 GLU 43 HB1 GLU 43 12.807 7.392 5.610 370 HG2 GLU 43 HG2 GLU 43 12.733 8.634 8.082 371 HG3 GLU 43 HG1 GLU 43 11.900 7.098 8.332 372 H HIS 44 HN HIS 44 9.642 10.116 4.646 373 HA HIS 44 HA HIS 44 10.552 9.178 2.025 374 HB2 HIS 44 HB2 HIS 44 8.268 8.539 2.847 375 HB3 HIS 44 HB1 HIS 44 7.831 10.242 2.813 376 HD1 HIS 44 HD1 HIS 44 7.035 11.161 0.589 377 HD2 HIS 44 HD2 HIS 44 8.814 7.414 0.268 378 HE1 HIS 44 HE1 HIS 44 6.638 10.388 -1.784 379 HA PRO 45 HA PRO 45 11.753 13.401 1.243 380 HB2 PRO 45 HB2 PRO 45 12.265 13.092 -1.419 381 HB3 PRO 45 HB1 PRO 45 13.388 12.599 -0.143 382 HG2 PRO 45 HG2 PRO 45 11.491 10.931 -1.719 383 HG3 PRO 45 HG1 PRO 45 13.149 10.571 -1.203 384 HD2 PRO 45 HD2 PRO 45 10.989 9.561 0.065 385 HD3 PRO 45 HD1 PRO 45 12.504 9.940 0.907 386 H GLY 46 HN GLY 46 10.096 14.781 1.315 387 HA2 GLY 46 HA2 GLY 46 8.835 16.173 -0.382 388 HA3 GLY 46 HA1 GLY 46 8.078 14.654 -0.842 389 H GLY 47 HN GLY 47 8.248 13.943 2.138 390 HA2 GLY 47 HA2 GLY 47 7.122 14.816 4.112 391 HA3 GLY 47 HA1 GLY 47 5.979 15.608 3.037 392 H GLU 48 HN GLU 48 4.997 14.109 5.066 393 HA GLU 48 HA GLU 48 4.376 11.471 3.990 394 HB2 GLU 48 HB2 GLU 48 3.403 10.980 6.146 395 HB3 GLU 48 HB1 GLU 48 4.985 11.709 6.385 396 HG2 GLU 48 HG2 GLU 48 3.956 13.835 6.920 397 HG3 GLU 48 HG1 GLU 48 2.359 13.164 6.604 398 H GLU 49 HN GLU 49 3.168 14.512 3.650 399 HA GLU 49 HA GLU 49 0.400 14.184 3.993 400 HB2 GLU 49 HB2 GLU 49 1.513 16.376 3.722 401 HB3 GLU 49 HB1 GLU 49 1.828 15.992 2.038 402 HG2 GLU 49 HG2 GLU 49 -0.055 17.388 2.041 403 HG3 GLU 49 HG1 GLU 49 -0.657 15.759 1.741 404 H VAL 50 HN VAL 50 2.463 13.698 1.140 405 HA VAL 50 HA VAL 50 0.322 12.969 -0.585 406 HB VAL 50 HB VAL 50 2.107 12.044 -2.072 407 HG11 VAL 50 HG11 VAL 50 3.205 14.230 -2.487 408 HG12 VAL 50 HG12 VAL 50 2.499 14.821 -0.984 409 HG13 VAL 50 HG13 VAL 50 1.453 14.336 -2.316 410 HG21 VAL 50 HG21 VAL 50 4.469 12.503 -1.437 411 HG22 VAL 50 HG22 VAL 50 3.699 11.262 -0.447 412 HG23 VAL 50 HG23 VAL 50 3.913 12.891 0.192 413 H LEU 51 HN LEU 51 1.820 11.330 1.950 414 HA LEU 51 HA LEU 51 1.261 8.684 0.849 415 HB2 LEU 51 HB2 LEU 51 2.481 9.417 3.506 416 HB3 LEU 51 HB1 LEU 51 2.437 7.823 2.780 417 HG LEU 51 HG LEU 51 3.928 10.176 1.615 418 HD11 LEU 51 HD11 LEU 51 4.846 9.441 3.786 419 HD12 LEU 51 HD12 LEU 51 5.941 9.143 2.437 420 HD13 LEU 51 HD13 LEU 51 5.017 7.812 3.132 421 HD21 LEU 51 HD21 LEU 51 4.023 7.237 0.935 422 HD22 LEU 51 HD22 LEU 51 4.966 8.521 0.179 423 HD23 LEU 51 HD23 LEU 51 3.214 8.483 -0.018 424 H ARG 52 HN ARG 52 0.163 10.891 3.367 425 HA ARG 52 HA ARG 52 -1.553 8.992 4.623 426 HB2 ARG 52 HB2 ARG 52 -2.508 10.919 5.820 427 HB3 ARG 52 HB1 ARG 52 -0.752 10.914 5.869 428 HG2 ARG 52 HG2 ARG 52 -0.971 13.075 5.341 429 HG3 ARG 52 HG1 ARG 52 -1.180 12.468 3.699 430 HD2 ARG 52 HD2 ARG 52 -2.906 14.096 4.289 431 HD3 ARG 52 HD1 ARG 52 -3.595 12.505 3.973 432 HE ARG 52 HE ARG 52 -4.266 12.379 6.165 433 HH11 ARG 52 HH11 ARG 52 -2.042 15.092 5.741 434 HH12 ARG 52 HH12 ARG 52 -2.375 15.745 7.394 435 HH21 ARG 52 HH21 ARG 52 -4.681 13.182 8.261 436 HH22 ARG 52 HH22 ARG 52 -3.833 14.680 8.798 437 H GLU 53 HN GLU 53 -1.868 10.980 1.822 438 HA GLU 53 HA GLU 53 -4.762 10.858 1.815 439 HB2 GLU 53 HB2 GLU 53 -4.522 11.909 -0.458 440 HB3 GLU 53 HB1 GLU 53 -3.836 12.838 0.867 441 HG2 GLU 53 HG2 GLU 53 -1.665 12.423 0.208 442 HG3 GLU 53 HG1 GLU 53 -2.114 10.989 -0.712 443 H GLN 54 HN GLN 54 -2.158 8.930 0.694 444 HA GLN 54 HA GLN 54 -3.975 7.410 -1.058 445 HB2 GLN 54 HB2 GLN 54 -0.953 7.443 -1.015 446 HB3 GLN 54 HB1 GLN 54 -1.954 6.508 -2.116 447 HG2 GLN 54 HG2 GLN 54 -1.918 9.511 -1.954 448 HG3 GLN 54 HG1 GLN 54 -1.030 8.554 -3.133 449 HE21 GLN 54 HE21 GLN 54 -3.124 10.574 -3.482 450 HE22 GLN 54 HE22 GLN 54 -4.377 9.790 -4.391 451 H ALA 55 HN ALA 55 -3.053 7.387 1.995 452 HA ALA 55 HA ALA 55 -1.980 4.810 2.437 453 HB1 ALA 55 HB1 ALA 55 -3.590 6.539 4.311 454 HB2 ALA 55 HB2 ALA 55 -1.839 6.607 4.092 455 HB3 ALA 55 HB3 ALA 55 -2.591 5.160 4.770 456 H GLY 56 HN GLY 56 -2.945 2.958 1.978 457 HA2 GLY 56 HA2 GLY 56 -4.591 1.309 2.381 458 HA3 GLY 56 HA1 GLY 56 -5.736 2.583 2.769 459 H GLY 57 HN GLY 57 -4.006 3.321 -0.019 460 HA2 GLY 57 HA2 GLY 57 -6.030 2.053 -1.741 461 HA3 GLY 57 HA1 GLY 57 -5.718 3.779 -1.869 462 H ASP 58 HN ASP 58 -5.406 2.747 -4.136 463 HA ASP 58 HA ASP 58 -2.667 1.784 -4.502 464 HB2 ASP 58 HB2 ASP 58 -4.605 0.606 -5.610 465 HB3 ASP 58 HB1 ASP 58 -4.847 2.055 -6.580 466 H ALA 59 HN ALA 59 -1.116 3.131 -5.068 467 HA ALA 59 HA ALA 59 -1.887 5.654 -6.377 468 HB1 ALA 59 HB1 ALA 59 -0.004 6.738 -5.233 469 HB2 ALA 59 HB2 ALA 59 0.316 5.238 -4.365 470 HB3 ALA 59 HB3 ALA 59 -1.196 6.102 -4.101 471 H THR 60 HN THR 60 -1.031 3.036 -7.516 472 HA THR 60 HA THR 60 1.625 3.133 -8.418 473 HB THR 60 HB THR 60 -0.713 2.074 -10.024 474 HG1 THR 60 HG1 THR 60 -0.917 1.063 -8.078 475 HG21 THR 60 HG21 THR 60 2.190 1.246 -9.901 476 HG22 THR 60 HG22 THR 60 1.430 2.147 -11.211 477 HG23 THR 60 HG23 THR 60 0.943 0.485 -10.887 478 H GLU 61 HN GLU 61 -1.269 4.724 -9.452 479 HA GLU 61 HA GLU 61 -0.539 5.740 -11.934 480 HB2 GLU 61 HB2 GLU 61 -2.112 7.698 -11.080 481 HB3 GLU 61 HB1 GLU 61 -2.759 6.106 -11.465 482 HG2 GLU 61 HG2 GLU 61 -3.258 5.641 -9.313 483 HG3 GLU 61 HG1 GLU 61 -1.838 6.475 -8.690 484 H ASN 62 HN ASN 62 -0.204 7.222 -8.724 485 HA ASN 62 HA ASN 62 1.210 9.506 -9.670 486 HB2 ASN 62 HB2 ASN 62 0.246 8.469 -7.107 487 HB3 ASN 62 HB1 ASN 62 1.785 9.321 -6.975 488 HD21 ASN 62 HD21 ASN 62 -1.590 9.609 -7.920 489 HD22 ASN 62 HD22 ASN 62 -1.637 11.341 -7.872 490 H PHE 63 HN PHE 63 2.089 6.369 -8.462 491 HA PHE 63 HA PHE 63 4.780 6.740 -7.858 492 HB2 PHE 63 HB2 PHE 63 3.400 4.694 -7.416 493 HB3 PHE 63 HB1 PHE 63 3.528 4.294 -9.123 494 HD1 PHE 63 HD2 PHE 63 5.316 4.502 -5.938 495 HD2 PHE 63 HD1 PHE 63 5.577 3.412 -10.045 496 HE1 PHE 63 HE2 PHE 63 7.390 3.257 -5.474 497 HE2 PHE 63 HE1 PHE 63 7.650 2.166 -9.588 498 HZ PHE 63 HZ PHE 63 8.558 2.085 -7.300 499 H GLU 64 HN GLU 64 3.277 5.785 -10.941 500 HA GLU 64 HA GLU 64 5.799 5.899 -12.342 501 HB2 GLU 64 HB2 GLU 64 4.400 5.390 -14.349 502 HB3 GLU 64 HB1 GLU 64 4.234 4.223 -13.042 503 HG2 GLU 64 HG2 GLU 64 2.155 5.388 -12.348 504 HG3 GLU 64 HG1 GLU 64 2.303 6.408 -13.777 505 H ASP 65 HN ASP 65 3.200 8.055 -11.674 506 HA ASP 65 HA ASP 65 3.513 9.833 -13.853 507 HB2 ASP 65 HB2 ASP 65 1.544 9.758 -12.284 508 HB3 ASP 65 HB1 ASP 65 2.557 10.532 -11.071 509 H VAL 66 HN VAL 66 4.859 9.734 -10.598 510 HA VAL 66 HA VAL 66 6.485 12.081 -11.050 511 HB VAL 66 HB VAL 66 6.411 10.127 -8.743 512 HG11 VAL 66 HG11 VAL 66 8.602 11.380 -9.145 513 HG12 VAL 66 HG12 VAL 66 7.871 11.511 -7.548 514 HG13 VAL 66 HG13 VAL 66 7.706 12.832 -8.702 515 HG21 VAL 66 HG21 VAL 66 4.378 11.533 -9.128 516 HG22 VAL 66 HG22 VAL 66 5.389 12.955 -8.868 517 HG23 VAL 66 HG23 VAL 66 5.163 11.785 -7.569 518 H GLY 67 HN GLY 67 7.063 8.609 -10.525 519 HA2 GLY 67 HA2 GLY 67 8.671 7.398 -11.825 520 HA3 GLY 67 HA1 GLY 67 9.579 8.892 -12.021 521 H HIS 68 HN HIS 68 9.924 6.032 -10.722 522 HA HIS 68 HA HIS 68 11.321 7.056 -8.339 523 HB2 HIS 68 HB2 HIS 68 9.651 4.590 -8.678 524 HB3 HIS 68 HB1 HIS 68 10.970 4.601 -7.513 525 HD1 HIS 68 HD1 HIS 68 7.820 6.635 -8.267 526 HD2 HIS 68 HD2 HIS 68 10.310 5.596 -5.100 527 HE1 HIS 68 HE1 HIS 68 6.729 7.548 -6.176 528 H SER 69 HN SER 69 13.386 6.446 -8.054 529 HA SER 69 HA SER 69 14.883 5.524 -10.239 530 HB2 SER 69 HB2 SER 69 15.673 5.541 -7.316 531 HB3 SER 69 HB1 SER 69 16.768 5.536 -8.701 532 HG SER 69 HG SER 69 15.106 7.594 -7.720 533 H THR 70 HN THR 70 16.146 3.607 -10.465 534 HA THR 70 HA THR 70 14.741 1.222 -10.153 535 HB THR 70 HB THR 70 17.512 0.615 -10.324 536 HG1 THR 70 HG1 THR 70 18.028 2.704 -10.833 537 HG21 THR 70 HG21 THR 70 15.387 0.858 -12.458 538 HG22 THR 70 HG22 THR 70 15.729 -0.577 -11.487 539 HG23 THR 70 HG23 THR 70 16.928 0.021 -12.637 540 H ASP 71 HN ASP 71 17.283 2.662 -8.152 541 HA ASP 71 HA ASP 71 17.618 0.426 -6.444 542 HB2 ASP 71 HB2 ASP 71 19.322 2.155 -6.598 543 HB3 ASP 71 HB1 ASP 71 18.196 3.357 -5.978 544 H ALA 72 HN ALA 72 15.464 3.179 -6.421 545 HA ALA 72 HA ALA 72 14.510 2.957 -3.792 546 HB1 ALA 72 HB1 ALA 72 13.108 4.043 -6.232 547 HB2 ALA 72 HB2 ALA 72 14.140 4.951 -5.126 548 HB3 ALA 72 HB3 ALA 72 12.605 4.295 -4.560 549 H ARG 73 HN ARG 73 13.221 1.643 -6.844 550 HA ARG 73 HA ARG 73 11.046 0.313 -5.601 551 HB2 ARG 73 HB2 ARG 73 10.893 -0.968 -7.762 552 HB3 ARG 73 HB1 ARG 73 10.823 0.779 -7.922 553 HG2 ARG 73 HG2 ARG 73 12.423 0.644 -9.439 554 HG3 ARG 73 HG1 ARG 73 13.526 0.111 -8.169 555 HD2 ARG 73 HD2 ARG 73 13.476 -1.420 -10.098 556 HD3 ARG 73 HD1 ARG 73 12.970 -2.198 -8.596 557 HE ARG 73 HE ARG 73 10.942 -1.157 -10.448 558 HH11 ARG 73 HH11 ARG 73 12.559 -3.900 -8.917 559 HH12 ARG 73 HH12 ARG 73 11.203 -5.035 -9.295 560 HH21 ARG 73 HH21 ARG 73 9.236 -2.576 -10.968 561 HH22 ARG 73 HH22 ARG 73 9.349 -4.302 -10.443 562 H GLU 74 HN GLU 74 14.381 -0.572 -6.161 563 HA GLU 74 HA GLU 74 13.982 -3.357 -5.612 564 HB2 GLU 74 HB2 GLU 74 16.406 -1.600 -5.847 565 HB3 GLU 74 HB1 GLU 74 16.550 -3.257 -5.274 566 HG2 GLU 74 HG2 GLU 74 15.746 -2.248 -7.968 567 HG3 GLU 74 HG1 GLU 74 16.971 -3.444 -7.538 568 H LEU 75 HN LEU 75 14.778 -0.511 -3.751 569 HA LEU 75 HA LEU 75 15.457 -1.861 -1.342 570 HB2 LEU 75 HB2 LEU 75 16.169 0.413 -1.698 571 HB3 LEU 75 HB1 LEU 75 14.517 0.955 -1.899 572 HG LEU 75 HG LEU 75 14.095 0.377 0.497 573 HD11 LEU 75 HD11 LEU 75 16.070 0.097 1.954 574 HD12 LEU 75 HD12 LEU 75 17.076 -0.058 0.512 575 HD13 LEU 75 HD13 LEU 75 15.830 -1.260 0.850 576 HD21 LEU 75 HD21 LEU 75 15.187 2.337 1.378 577 HD22 LEU 75 HD22 LEU 75 14.643 2.661 -0.270 578 HD23 LEU 75 HD23 LEU 75 16.346 2.326 0.048 579 H SER 76 HN SER 76 12.506 -0.893 -2.864 580 HA SER 76 HA SER 76 10.821 -1.072 -0.581 581 HB2 SER 76 HB2 SER 76 10.081 -1.293 -3.508 582 HB3 SER 76 HB1 SER 76 8.978 -0.944 -2.175 583 HG SER 76 HG SER 76 11.200 0.675 -2.913 584 H LYS 77 HN LYS 77 12.444 -3.415 -2.317 585 HA LYS 77 HA LYS 77 10.541 -5.490 -2.453 586 HB2 LYS 77 HB2 LYS 77 12.865 -5.308 -3.567 587 HB3 LYS 77 HB1 LYS 77 13.482 -5.963 -2.058 588 HG2 LYS 77 HG2 LYS 77 11.918 -7.898 -2.371 589 HG3 LYS 77 HG1 LYS 77 11.569 -7.265 -3.981 590 HD2 LYS 77 HD2 LYS 77 14.027 -7.372 -4.457 591 HD3 LYS 77 HD1 LYS 77 14.225 -8.208 -2.916 592 HE2 LYS 77 HE2 LYS 77 12.541 -9.891 -3.753 593 HE3 LYS 77 HE1 LYS 77 12.694 -9.126 -5.334 594 HZ1 LYS 77 HZ1 LYS 77 14.155 -10.969 -5.270 595 HZ2 LYS 77 HZ2 LYS 77 14.820 -10.500 -3.790 596 HZ3 LYS 77 HZ3 LYS 77 15.121 -9.588 -5.182 597 H THR 78 HN THR 78 12.167 -4.097 0.211 598 HA THR 78 HA THR 78 11.744 -6.485 1.843 599 HB THR 78 HB THR 78 13.922 -5.205 1.975 600 HG1 THR 78 HG1 THR 78 12.502 -5.375 4.441 601 HG21 THR 78 HG21 THR 78 12.927 -2.933 1.952 602 HG22 THR 78 HG22 THR 78 14.002 -3.195 3.328 603 HG23 THR 78 HG23 THR 78 12.252 -3.240 3.550 604 H PHE 79 HN PHE 79 9.959 -3.944 0.864 605 HA PHE 79 HA PHE 79 8.586 -3.602 3.442 606 HB2 PHE 79 HB2 PHE 79 8.597 -1.941 0.923 607 HB3 PHE 79 HB1 PHE 79 7.422 -1.693 2.210 608 HD1 PHE 79 HD2 PHE 79 8.992 -1.971 4.625 609 HD2 PHE 79 HD1 PHE 79 10.013 -0.133 0.930 610 HE1 PHE 79 HE2 PHE 79 10.585 -0.513 5.796 611 HE2 PHE 79 HE1 PHE 79 11.613 1.327 2.095 612 HZ PHE 79 HZ PHE 79 11.901 1.140 4.533 613 H ILE 80 HN ILE 80 8.420 -5.543 0.848 614 HA ILE 80 HA ILE 80 5.579 -5.417 0.364 615 HB ILE 80 HB ILE 80 7.037 -6.009 -1.490 616 HG12 ILE 80 HG12 ILE 80 5.972 -8.311 -2.044 617 HG13 ILE 80 HG11 ILE 80 5.115 -8.098 -0.520 618 HG21 ILE 80 HG21 ILE 80 8.854 -7.074 -0.327 619 HG22 ILE 80 HG22 ILE 80 8.213 -8.169 -1.555 620 HG23 ILE 80 HG23 ILE 80 7.809 -8.414 0.145 621 HD11 ILE 80 HD11 ILE 80 3.845 -7.361 -2.509 622 HD12 ILE 80 HD12 ILE 80 5.066 -6.114 -2.775 623 HD13 ILE 80 HD13 ILE 80 4.088 -6.094 -1.306 624 H ILE 81 HN ILE 81 4.111 -6.330 1.612 625 HA ILE 81 HA ILE 81 4.930 -8.610 3.290 626 HB ILE 81 HB ILE 81 3.112 -8.027 4.836 627 HG12 ILE 81 HG12 ILE 81 1.914 -6.681 2.878 628 HG13 ILE 81 HG11 ILE 81 1.644 -6.284 4.568 629 HG21 ILE 81 HG21 ILE 81 5.062 -5.788 4.324 630 HG22 ILE 81 HG22 ILE 81 5.356 -7.241 5.282 631 HG23 ILE 81 HG23 ILE 81 4.171 -6.049 5.825 632 HD11 ILE 81 HD11 ILE 81 3.416 -4.530 4.333 633 HD12 ILE 81 HD12 ILE 81 1.950 -4.255 3.393 634 HD13 ILE 81 HD13 ILE 81 3.408 -4.855 2.601 635 H GLY 82 HN GLY 82 3.133 -7.796 0.612 636 HA2 GLY 82 HA2 GLY 82 2.159 -10.278 0.074 637 HA3 GLY 82 HA1 GLY 82 0.902 -9.545 1.058 638 H GLU 83 HN GLU 83 -0.230 -10.050 -1.036 639 HA GLU 83 HA GLU 83 -0.119 -7.675 -2.763 640 HB2 GLU 83 HB2 GLU 83 -0.261 -10.563 -3.599 641 HB3 GLU 83 HB1 GLU 83 -0.833 -9.273 -4.646 642 HG2 GLU 83 HG2 GLU 83 1.516 -8.263 -4.285 643 HG3 GLU 83 HG1 GLU 83 1.950 -9.890 -3.760 644 H LEU 84 HN LEU 84 -2.187 -7.756 -4.237 645 HA LEU 84 HA LEU 84 -4.428 -7.807 -2.407 646 HB2 LEU 84 HB2 LEU 84 -3.763 -6.499 -4.921 647 HB3 LEU 84 HB1 LEU 84 -5.392 -7.144 -4.930 648 HG LEU 84 HG LEU 84 -5.300 -4.778 -4.235 649 HD11 LEU 84 HD11 LEU 84 -6.705 -4.997 -2.260 650 HD12 LEU 84 HD12 LEU 84 -6.179 -6.668 -2.063 651 HD13 LEU 84 HD13 LEU 84 -7.123 -6.202 -3.478 652 HD21 LEU 84 HD21 LEU 84 -3.107 -4.857 -3.120 653 HD22 LEU 84 HD22 LEU 84 -3.819 -5.807 -1.817 654 HD23 LEU 84 HD23 LEU 84 -4.357 -4.152 -2.096 655 H HIS 85 HN HIS 85 -6.374 -8.900 -2.798 656 HA HIS 85 HA HIS 85 -6.127 -11.586 -3.548 657 HB2 HIS 85 HB2 HIS 85 -8.308 -9.801 -2.707 658 HB3 HIS 85 HB1 HIS 85 -8.831 -11.109 -3.763 659 HD1 HIS 85 HD1 HIS 85 -9.726 -12.937 -2.363 660 HD2 HIS 85 HD2 HIS 85 -6.394 -11.155 -0.630 661 HE1 HIS 85 HE1 HIS 85 -9.281 -14.240 -0.263 662 HE2 HIS 85 HE2 HIS 85 -7.349 -13.057 0.843 663 HA PRO 86 HA PRO 86 -6.391 -11.701 -7.952 664 HB2 PRO 86 HB2 PRO 86 -8.123 -13.869 -8.216 665 HB3 PRO 86 HB1 PRO 86 -6.368 -13.980 -8.037 666 HG2 PRO 86 HG2 PRO 86 -8.496 -14.314 -5.987 667 HG3 PRO 86 HG1 PRO 86 -6.951 -15.170 -6.165 668 HD2 PRO 86 HD2 PRO 86 -7.291 -13.271 -4.311 669 HD3 PRO 86 HD1 PRO 86 -5.745 -13.475 -5.163 670 H ASP 87 HN ASP 87 -9.395 -11.986 -6.126 671 HA ASP 87 HA ASP 87 -11.132 -11.285 -8.257 672 HB2 ASP 87 HB2 ASP 87 -11.766 -10.839 -5.345 673 HB3 ASP 87 HB1 ASP 87 -12.861 -11.263 -6.656 674 H ASP 88 HN ASP 88 -9.280 -9.457 -5.974 675 HA ASP 88 HA ASP 88 -10.646 -6.966 -6.628 676 HB2 ASP 88 HB2 ASP 88 -8.371 -7.592 -4.730 677 HB3 ASP 88 HB1 ASP 88 -9.028 -5.980 -4.976 678 H ARG 89 HN ARG 89 -8.364 -8.827 -8.019 679 HA ARG 89 HA ARG 89 -6.756 -6.565 -8.971 680 HB2 ARG 89 HB2 ARG 89 -5.607 -8.534 -7.886 681 HB3 ARG 89 HB1 ARG 89 -6.128 -9.502 -9.261 682 HG2 ARG 89 HG2 ARG 89 -4.902 -7.900 -10.738 683 HG3 ARG 89 HG1 ARG 89 -4.250 -7.147 -9.281 684 HD2 ARG 89 HD2 ARG 89 -3.816 -9.950 -10.278 685 HD3 ARG 89 HD1 ARG 89 -2.616 -8.685 -10.031 686 HE ARG 89 HE ARG 89 -4.095 -9.745 -7.731 687 HH11 ARG 89 HH11 ARG 89 -1.066 -9.290 -9.474 688 HH12 ARG 89 HH12 ARG 89 -0.063 -9.865 -8.086 689 HH21 ARG 89 HH21 ARG 89 -2.839 -10.463 -5.956 690 HH22 ARG 89 HH22 ARG 89 -1.037 -10.534 -6.154 691 H SER 90 HN SER 90 -8.285 -9.568 -10.140 692 HA SER 90 HA SER 90 -8.820 -8.197 -12.683 693 HB2 SER 90 HB2 SER 90 -8.188 -11.094 -12.828 694 HB3 SER 90 HB1 SER 90 -7.845 -9.805 -13.981 695 HG SER 90 HG SER 90 -5.967 -10.682 -12.909 696 H LYS 91 HN LYS 91 -10.896 -7.995 -11.456 697 HA LYS 91 HA LYS 91 -12.821 -9.779 -12.457 698 HB2 LYS 91 HB2 LYS 91 -11.846 -11.205 -10.615 699 HB3 LYS 91 HB1 LYS 91 -12.447 -10.022 -9.464 700 HG2 LYS 91 HG2 LYS 91 -14.694 -10.509 -9.985 701 HG3 LYS 91 HG1 LYS 91 -14.239 -11.422 -11.423 702 HD2 LYS 91 HD2 LYS 91 -13.454 -12.231 -8.630 703 HD3 LYS 91 HD1 LYS 91 -14.924 -12.797 -9.423 704 HE2 LYS 91 HE2 LYS 91 -12.087 -13.236 -10.353 705 HE3 LYS 91 HE1 LYS 91 -13.169 -14.444 -9.667 706 HZ1 LYS 91 HZ1 LYS 91 -14.656 -14.037 -11.595 707 HZ2 LYS 91 HZ2 LYS 91 -13.162 -14.693 -12.018 708 HZ3 LYS 91 HZ3 LYS 91 -13.464 -13.050 -12.271 709 H LEU 92 HN LEU 92 -12.370 -7.920 -9.447 710 HA LEU 92 HA LEU 92 -13.516 -6.201 -8.515 711 HB2 LEU 92 HB2 LEU 92 -13.001 -5.511 -11.256 712 HB3 LEU 92 HB1 LEU 92 -14.515 -4.791 -10.746 713 HG LEU 92 HG LEU 92 -12.624 -3.258 -10.435 714 HD11 LEU 92 HD11 LEU 92 -13.090 -2.625 -8.142 715 HD12 LEU 92 HD12 LEU 92 -13.788 -4.213 -7.824 716 HD13 LEU 92 HD13 LEU 92 -14.575 -3.116 -8.958 717 HD21 LEU 92 HD21 LEU 92 -11.611 -5.304 -8.468 718 HD22 LEU 92 HD22 LEU 92 -10.926 -3.703 -8.753 719 HD23 LEU 92 HD23 LEU 92 -10.883 -4.922 -10.029 720 H SER 93 HN SER 93 -15.026 -8.569 -8.900 721 HA SER 93 HA SER 93 -17.708 -7.492 -9.430 722 HB2 SER 93 HB2 SER 93 -16.994 -10.418 -9.233 723 HB3 SER 93 HB1 SER 93 -18.426 -9.690 -9.963 724 HG SER 93 HG SER 93 -16.316 -8.655 -11.180 725 H LYS 94 HN LYS 94 -17.046 -6.556 -7.181 726 HA LYS 94 HA LYS 94 -18.272 -8.282 -5.149 727 HB2 LYS 94 HB2 LYS 94 -15.689 -6.751 -4.935 728 HB3 LYS 94 HB1 LYS 94 -16.634 -7.156 -3.510 729 HG2 LYS 94 HG2 LYS 94 -16.313 -9.463 -3.818 730 HG3 LYS 94 HG1 LYS 94 -15.739 -9.243 -5.473 731 HD2 LYS 94 HD2 LYS 94 -13.891 -9.743 -3.945 732 HD3 LYS 94 HD1 LYS 94 -13.729 -8.131 -4.642 733 HE2 LYS 94 HE2 LYS 94 -14.722 -7.192 -2.567 734 HE3 LYS 94 HE1 LYS 94 -14.734 -8.816 -1.881 735 HZ1 LYS 94 HZ1 LYS 94 -12.794 -7.432 -1.224 736 HZ2 LYS 94 HZ2 LYS 94 -12.277 -7.450 -2.847 737 HZ3 LYS 94 HZ3 LYS 94 -12.377 -8.894 -1.969 738 HA PRO 95 HA PRO 95 -20.658 -4.591 -4.531 739 HB2 PRO 95 HB2 PRO 95 -21.892 -5.270 -2.223 740 HB3 PRO 95 HB1 PRO 95 -22.328 -5.997 -3.775 741 HG2 PRO 95 HG2 PRO 95 -20.654 -7.117 -1.585 742 HG3 PRO 95 HG1 PRO 95 -21.836 -7.931 -2.625 743 HD2 PRO 95 HD2 PRO 95 -19.130 -8.070 -3.009 744 HD3 PRO 95 HD1 PRO 95 -20.326 -8.267 -4.304 745 H MET 96 HN MET 96 -20.436 -2.672 -3.427 746 HA MET 96 HA MET 96 -18.361 -2.641 -1.350 747 HB2 MET 96 HB2 MET 96 -17.832 -1.328 -3.347 748 HB3 MET 96 HB1 MET 96 -19.321 -0.415 -3.158 749 HG2 MET 96 HG2 MET 96 -18.537 0.605 -1.156 750 HG3 MET 96 HG1 MET 96 -17.139 -0.463 -1.092 751 HE1 MET 96 HE1 MET 96 -18.863 2.515 -2.951 752 HE2 MET 96 HE2 MET 96 -18.625 1.371 -4.271 753 HE3 MET 96 HE3 MET 96 -17.702 2.875 -4.229 754 H GLU 97 HN GLU 97 -21.245 -0.723 -2.218 755 HA GLU 97 HA GLU 97 -22.933 0.157 -0.984 756 HB2 GLU 97 HB2 GLU 97 -23.192 -2.119 -0.040 757 HB3 GLU 97 HB1 GLU 97 -22.029 -1.715 1.217 758 HG2 GLU 97 HG2 GLU 97 -23.736 0.284 1.602 759 HG3 GLU 97 HG1 GLU 97 -24.853 -0.886 0.898 760 H THR 98 HN THR 98 -22.835 2.166 -0.319 761 HA THR 98 HA THR 98 -21.596 2.977 2.093 762 HB THR 98 HB THR 98 -19.579 2.703 0.601 763 HG1 THR 98 HG1 THR 98 -19.165 4.028 2.248 764 HG21 THR 98 HG21 THR 98 -20.744 5.110 -0.809 765 HG22 THR 98 HG22 THR 98 -20.574 3.495 -1.495 766 HG23 THR 98 HG23 THR 98 -19.140 4.429 -1.076 767 H LEU 99 HN LEU 99 -21.492 5.532 2.113 768 HA LEU 99 HA LEU 99 -22.723 7.445 2.141 769 HB2 LEU 99 HB2 LEU 99 -23.234 6.589 -0.707 770 HB3 LEU 99 HB1 LEU 99 -23.691 8.154 -0.064 771 HG LEU 99 HG LEU 99 -20.852 7.133 -0.174 772 HD11 LEU 99 HD11 LEU 99 -21.763 7.433 -2.427 773 HD12 LEU 99 HD12 LEU 99 -20.553 8.660 -2.052 774 HD13 LEU 99 HD13 LEU 99 -22.266 9.069 -2.004 775 HD21 LEU 99 HD21 LEU 99 -21.233 8.786 1.568 776 HD22 LEU 99 HD22 LEU 99 -22.000 9.861 0.398 777 HD23 LEU 99 HD23 LEU 99 -20.284 9.477 0.251 778 H ILE 100 HN ILE 100 -23.995 5.650 3.496 779 HA ILE 100 HA ILE 100 -26.806 5.802 2.614 780 HB ILE 100 HB ILE 100 -27.205 3.738 3.953 781 HG12 ILE 100 HG12 ILE 100 -24.200 3.412 3.933 782 HG13 ILE 100 HG11 ILE 100 -25.081 4.036 5.324 783 HG21 ILE 100 HG21 ILE 100 -25.305 3.592 1.625 784 HG22 ILE 100 HG22 ILE 100 -27.065 3.481 1.598 785 HG23 ILE 100 HG23 ILE 100 -26.111 2.183 2.309 786 HD11 ILE 100 HD11 ILE 100 -24.600 1.679 5.584 787 HD12 ILE 100 HD12 ILE 100 -25.438 1.324 4.072 788 HD13 ILE 100 HD13 ILE 100 -26.338 1.947 5.455 789 H THR 101 HN THR 101 -24.964 7.457 4.461 790 HA THR 101 HA THR 101 -26.922 7.638 6.623 791 HB THR 101 HB THR 101 -23.961 7.705 7.210 792 HG1 THR 101 HG1 THR 101 -25.772 5.555 7.064 793 HG21 THR 101 HG21 THR 101 -24.813 7.275 9.538 794 HG22 THR 101 HG22 THR 101 -26.444 7.539 8.920 795 HG23 THR 101 HG23 THR 101 -25.260 8.843 8.869 796 H THR 102 HN THR 102 -27.271 9.670 7.387 797 HA THR 102 HA THR 102 -26.454 11.878 5.798 798 HB THR 102 HB THR 102 -27.572 12.782 8.235 799 HG1 THR 102 HG1 THR 102 -29.188 11.352 8.652 800 HG21 THR 102 HG21 THR 102 -28.048 13.716 6.029 801 HG22 THR 102 HG22 THR 102 -29.546 13.238 6.829 802 HG23 THR 102 HG23 THR 102 -28.863 12.226 5.556 803 H VAL 103 HN VAL 103 -24.326 12.455 5.932 804 HA VAL 103 HA VAL 103 -23.186 12.837 8.623 805 HB VAL 103 HB VAL 103 -20.947 12.694 7.499 806 HG11 VAL 103 HG11 VAL 103 -22.731 10.274 7.267 807 HG12 VAL 103 HG12 VAL 103 -21.868 10.803 8.714 808 HG13 VAL 103 HG13 VAL 103 -20.968 10.251 7.299 809 HG21 VAL 103 HG21 VAL 103 -20.837 11.649 5.282 810 HG22 VAL 103 HG22 VAL 103 -21.634 13.222 5.231 811 HG23 VAL 103 HG23 VAL 103 -22.592 11.742 5.158 812 H ASP 104 HN ASP 104 -24.729 14.635 6.586 813 HA ASP 104 HA ASP 104 -22.820 16.761 6.123 814 HB2 ASP 104 HB2 ASP 104 -24.640 17.948 5.065 815 HB3 ASP 104 HB1 ASP 104 -24.659 16.282 4.501 816 HHB HEM 400 HB HEM 400 11.103 4.758 -1.560 817 HHC HEM 400 HC HEM 400 4.832 4.861 -2.296 818 HHD HEM 400 HD HEM 400 5.217 10.715 -4.692 819 HMA HEM 400 HMA1 HEM 400 13.391 5.152 -2.553 820 HMAA HEM 400 HMA2 HEM 400 13.299 5.935 -0.976 821 HMAB HEM 400 HMA3 HEM 400 14.350 6.596 -2.225 822 HAA HEM 400 HAA1 HEM 400 14.204 9.091 -2.578 823 HAAA HEM 400 HAA2 HEM 400 13.414 9.802 -3.978 824 HBA HEM 400 HBA1 HEM 400 14.207 7.010 -4.412 825 HBAA HEM 400 HBA2 HEM 400 15.570 8.072 -4.062 826 HMB HEM 400 HMB1 HEM 400 9.609 2.060 -1.551 827 HMBA HEM 400 HMB2 HEM 400 8.822 2.343 0.010 828 HMBB HEM 400 HMB3 HEM 400 10.307 3.200 -0.414 829 HAB HEM 400 HAB HEM 400 6.380 1.915 -1.702 830 HBB HEM 400 HBB1 HEM 400 5.166 3.933 0.351 831 HBBA HEM 400 HBB2 HEM 400 4.640 2.120 -0.013 832 HMC HEM 400 HMC1 HEM 400 1.921 7.012 -2.802 833 HMCA HEM 400 HMC2 HEM 400 2.902 5.580 -2.475 834 HMCB HEM 400 HMC3 HEM 400 2.415 5.973 -4.125 835 HAC HEM 400 HAC HEM 400 3.011 9.776 -5.221 836 HBC HEM 400 HBC1 HEM 400 1.600 8.977 -2.546 837 HBCA HEM 400 HBC2 HEM 400 0.950 10.102 -3.961 838 HMD HEM 400 HMD1 HEM 400 6.790 13.432 -4.557 839 HMDA HEM 400 HMD2 HEM 400 5.980 12.378 -5.715 840 HMDB HEM 400 HMD3 HEM 400 7.453 13.239 -6.168 841 HAD HEM 400 HAD1 HEM 400 9.557 13.553 -5.141 842 HADA HEM 400 HAD2 HEM 400 10.870 12.622 -4.442 843 HBD HEM 400 HBD1 HEM 400 10.009 11.807 -7.163 844 HBDA HEM 400 HBD2 HEM 400 11.630 11.913 -6.476 845 HHA HEM 400 HA HEM 400 11.527 10.477 -4.239 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 19.674 -14.282 16.769 2 H2 MET 1 HT2 MET 1 21.163 -14.273 17.572 3 H3 MET 1 HT3 MET 1 20.727 -12.975 16.586 4 HA MET 1 HA MET 1 19.359 -13.782 19.078 5 HB2 MET 1 HB2 MET 1 21.594 -12.824 19.465 6 HB3 MET 1 HB1 MET 1 21.155 -11.418 18.511 7 HG2 MET 1 HG2 MET 1 19.424 -10.852 20.137 8 HG3 MET 1 HG1 MET 1 19.867 -12.262 21.097 9 HE1 MET 1 HE1 MET 1 21.955 -12.518 22.500 10 HE2 MET 1 HE2 MET 1 23.307 -11.391 22.551 11 HE3 MET 1 HE3 MET 1 23.015 -12.351 21.104 12 H ALA 2 HN ALA 2 19.770 -11.031 16.808 13 HA ALA 2 HA ALA 2 16.857 -10.686 16.830 14 HB1 ALA 2 HB1 ALA 2 17.735 -9.129 18.488 15 HB2 ALA 2 HB2 ALA 2 17.096 -8.261 17.092 16 HB3 ALA 2 HB3 ALA 2 18.838 -8.455 17.288 17 H ALA 3 HN ALA 3 18.366 -11.881 14.819 18 HA ALA 3 HA ALA 3 17.994 -9.943 12.652 19 HB1 ALA 3 HB1 ALA 3 20.393 -10.021 13.125 20 HB2 ALA 3 HB2 ALA 3 20.030 -10.704 11.540 21 HB3 ALA 3 HB3 ALA 3 20.384 -11.772 12.900 22 H GLN 4 HN GLN 4 16.478 -10.731 11.367 23 HA GLN 4 HA GLN 4 16.662 -13.489 10.462 24 HB2 GLN 4 HB2 GLN 4 14.233 -13.877 10.864 25 HB3 GLN 4 HB1 GLN 4 15.170 -13.730 12.341 26 HG2 GLN 4 HG2 GLN 4 14.393 -11.491 12.684 27 HG3 GLN 4 HG1 GLN 4 13.570 -11.499 11.127 28 HE21 GLN 4 HE21 GLN 4 11.597 -11.037 12.110 29 HE22 GLN 4 HE22 GLN 4 10.718 -12.231 12.998 30 H SER 5 HN SER 5 15.886 -13.797 8.407 31 HA SER 5 HA SER 5 14.672 -11.455 7.109 32 HB2 SER 5 HB2 SER 5 16.704 -13.316 5.857 33 HB3 SER 5 HB1 SER 5 15.978 -11.897 5.103 34 HG SER 5 HG SER 5 16.928 -10.680 6.887 35 H ASP 6 HN ASP 6 12.605 -12.123 7.017 36 HA ASP 6 HA ASP 6 12.077 -14.665 5.622 37 HB2 ASP 6 HB2 ASP 6 10.887 -13.496 8.054 38 HB3 ASP 6 HB1 ASP 6 9.725 -14.138 6.899 39 H LYS 7 HN LYS 7 10.570 -14.665 3.988 40 HA LYS 7 HA LYS 7 9.531 -12.020 3.217 41 HB2 LYS 7 HB2 LYS 7 10.559 -14.269 1.488 42 HB3 LYS 7 HB1 LYS 7 9.570 -12.963 0.849 43 HG2 LYS 7 HG2 LYS 7 12.293 -12.731 2.113 44 HG3 LYS 7 HG1 LYS 7 11.873 -12.461 0.422 45 HD2 LYS 7 HD2 LYS 7 10.435 -10.562 1.131 46 HD3 LYS 7 HD1 LYS 7 10.985 -10.806 2.789 47 HE2 LYS 7 HE2 LYS 7 13.347 -10.532 1.865 48 HE3 LYS 7 HE1 LYS 7 12.578 -9.916 0.402 49 HZ1 LYS 7 HZ1 LYS 7 13.174 -8.109 1.850 50 HZ2 LYS 7 HZ2 LYS 7 12.312 -8.786 3.136 51 HZ3 LYS 7 HZ3 LYS 7 11.484 -8.217 1.772 52 H ASP 8 HN ASP 8 7.451 -11.960 3.677 53 HA ASP 8 HA ASP 8 5.846 -14.373 3.169 54 HB2 ASP 8 HB2 ASP 8 5.896 -13.864 5.534 55 HB3 ASP 8 HB1 ASP 8 5.449 -12.191 5.224 56 H VAL 9 HN VAL 9 4.166 -14.226 1.813 57 HA VAL 9 HA VAL 9 3.382 -11.536 0.918 58 HB VAL 9 HB VAL 9 4.552 -12.542 -0.904 59 HG11 VAL 9 HG11 VAL 9 2.793 -14.967 -0.581 60 HG12 VAL 9 HG12 VAL 9 4.508 -14.864 -0.192 61 HG13 VAL 9 HG13 VAL 9 3.974 -14.717 -1.865 62 HG21 VAL 9 HG21 VAL 9 2.635 -11.336 -1.636 63 HG22 VAL 9 HG22 VAL 9 1.572 -12.702 -1.304 64 HG23 VAL 9 HG23 VAL 9 2.744 -12.797 -2.618 65 H LYS 10 HN LYS 10 1.502 -11.138 1.894 66 HA LYS 10 HA LYS 10 -0.501 -13.289 1.973 67 HB2 LYS 10 HB2 LYS 10 0.221 -11.124 3.836 68 HB3 LYS 10 HB1 LYS 10 -1.507 -11.378 3.626 69 HG2 LYS 10 HG2 LYS 10 -1.070 -13.818 4.113 70 HG3 LYS 10 HG1 LYS 10 0.551 -13.327 4.608 71 HD2 LYS 10 HD2 LYS 10 -1.974 -12.151 5.760 72 HD3 LYS 10 HD1 LYS 10 -1.121 -13.520 6.472 73 HE2 LYS 10 HE2 LYS 10 0.106 -10.810 5.973 74 HE3 LYS 10 HE1 LYS 10 -0.558 -11.333 7.518 75 HZ1 LYS 10 HZ1 LYS 10 1.771 -12.495 6.081 76 HZ2 LYS 10 HZ2 LYS 10 1.069 -13.183 7.462 77 HZ3 LYS 10 HZ3 LYS 10 1.785 -11.656 7.552 78 H TYR 11 HN TYR 11 -2.262 -13.120 0.772 79 HA TYR 11 HA TYR 11 -2.690 -10.712 -0.788 80 HB2 TYR 11 HB2 TYR 11 -3.813 -13.497 -0.834 81 HB3 TYR 11 HB1 TYR 11 -4.678 -12.200 -1.650 82 HD1 TYR 11 HD2 TYR 11 -1.230 -13.639 -1.425 83 HD2 TYR 11 HD1 TYR 11 -4.183 -11.781 -3.856 84 HE1 TYR 11 HE2 TYR 11 0.243 -13.874 -3.383 85 HE2 TYR 11 HE1 TYR 11 -2.723 -12.008 -5.819 86 HH TYR 11 HH TYR 11 -0.193 -12.195 -6.218 87 H TYR 12 HN TYR 12 -3.509 -9.143 0.472 88 HA TYR 12 HA TYR 12 -5.540 -9.675 2.452 89 HB2 TYR 12 HB2 TYR 12 -4.134 -7.170 1.537 90 HB3 TYR 12 HB1 TYR 12 -5.466 -7.123 2.685 91 HD1 TYR 12 HD2 TYR 12 -5.207 -8.561 4.816 92 HD2 TYR 12 HD1 TYR 12 -1.953 -7.486 2.297 93 HE1 TYR 12 HE2 TYR 12 -3.645 -8.985 6.664 94 HE2 TYR 12 HE1 TYR 12 -0.379 -7.908 4.141 95 HH TYR 12 HH TYR 12 -0.426 -7.980 6.633 96 H THR 13 HN THR 13 -7.607 -8.781 2.486 97 HA THR 13 HA THR 13 -8.931 -8.746 -0.049 98 HB THR 13 HB THR 13 -10.722 -7.858 1.916 99 HG1 THR 13 HG1 THR 13 -10.152 -9.723 3.470 100 HG21 THR 13 HG21 THR 13 -11.605 -10.148 1.773 101 HG22 THR 13 HG22 THR 13 -10.114 -10.673 0.992 102 HG23 THR 13 HG23 THR 13 -11.180 -9.526 0.180 103 H LEU 14 HN LEU 14 -10.290 -6.981 -0.791 104 HA LEU 14 HA LEU 14 -8.958 -4.519 -0.914 105 HB2 LEU 14 HB2 LEU 14 -10.552 -5.367 -2.606 106 HB3 LEU 14 HB1 LEU 14 -11.866 -5.093 -1.481 107 HG LEU 14 HG LEU 14 -11.220 -2.644 -1.498 108 HD11 LEU 14 HD11 LEU 14 -9.924 -1.854 -3.392 109 HD12 LEU 14 HD12 LEU 14 -9.638 -3.515 -3.910 110 HD13 LEU 14 HD13 LEU 14 -8.956 -2.936 -2.391 111 HD21 LEU 14 HD21 LEU 14 -12.326 -2.232 -3.660 112 HD22 LEU 14 HD22 LEU 14 -13.160 -3.450 -2.694 113 HD23 LEU 14 HD23 LEU 14 -12.150 -3.942 -4.055 114 H GLU 15 HN GLU 15 -11.732 -5.560 0.995 115 HA GLU 15 HA GLU 15 -12.194 -3.005 2.177 116 HB2 GLU 15 HB2 GLU 15 -13.602 -4.381 3.800 117 HB3 GLU 15 HB1 GLU 15 -14.061 -4.421 2.104 118 HG2 GLU 15 HG2 GLU 15 -12.219 -6.520 3.109 119 HG3 GLU 15 HG1 GLU 15 -13.918 -6.608 3.569 120 H GLU 16 HN GLU 16 -9.756 -5.236 2.700 121 HA GLU 16 HA GLU 16 -9.497 -4.660 5.547 122 HB2 GLU 16 HB2 GLU 16 -9.119 -6.961 4.734 123 HB3 GLU 16 HB1 GLU 16 -7.790 -6.388 3.740 124 HG2 GLU 16 HG2 GLU 16 -7.007 -7.464 5.785 125 HG3 GLU 16 HG1 GLU 16 -6.540 -5.766 5.722 126 H ILE 17 HN ILE 17 -7.621 -4.253 2.549 127 HA ILE 17 HA ILE 17 -5.501 -2.840 3.757 128 HB ILE 17 HB ILE 17 -5.006 -2.039 1.399 129 HG12 ILE 17 HG12 ILE 17 -6.274 -3.743 -0.237 130 HG13 ILE 17 HG11 ILE 17 -7.556 -3.504 0.945 131 HG21 ILE 17 HG21 ILE 17 -4.274 -4.285 0.674 132 HG22 ILE 17 HG22 ILE 17 -5.248 -4.986 1.966 133 HG23 ILE 17 HG23 ILE 17 -3.886 -3.938 2.359 134 HD11 ILE 17 HD11 ILE 17 -7.556 -1.995 -1.089 135 HD12 ILE 17 HD12 ILE 17 -6.159 -1.201 -0.364 136 HD13 ILE 17 HD13 ILE 17 -7.703 -1.214 0.484 137 H LYS 18 HN LYS 18 -8.603 -1.749 2.535 138 HA LYS 18 HA LYS 18 -7.771 1.039 2.718 139 HB2 LYS 18 HB2 LYS 18 -9.875 1.603 1.714 140 HB3 LYS 18 HB1 LYS 18 -9.170 0.277 0.811 141 HG2 LYS 18 HG2 LYS 18 -11.092 -0.795 1.017 142 HG3 LYS 18 HG1 LYS 18 -10.779 -0.929 2.749 143 HD2 LYS 18 HD2 LYS 18 -12.981 0.057 2.286 144 HD3 LYS 18 HD1 LYS 18 -11.923 1.180 3.141 145 HE2 LYS 18 HE2 LYS 18 -11.579 1.507 0.316 146 HE3 LYS 18 HE1 LYS 18 -13.295 1.588 0.711 147 HZ1 LYS 18 HZ1 LYS 18 -11.241 3.156 2.159 148 HZ2 LYS 18 HZ2 LYS 18 -12.922 3.359 2.196 149 HZ3 LYS 18 HZ3 LYS 18 -12.054 3.744 0.798 150 H LYS 19 HN LYS 19 -8.471 -1.052 4.984 151 HA LYS 19 HA LYS 19 -10.127 0.836 6.528 152 HB2 LYS 19 HB2 LYS 19 -11.041 -1.510 5.959 153 HB3 LYS 19 HB1 LYS 19 -9.887 -2.096 7.146 154 HG2 LYS 19 HG2 LYS 19 -11.194 -1.509 8.843 155 HG3 LYS 19 HG1 LYS 19 -11.459 0.104 8.176 156 HD2 LYS 19 HD2 LYS 19 -13.567 -1.107 8.363 157 HD3 LYS 19 HD1 LYS 19 -13.172 -0.801 6.673 158 HE2 LYS 19 HE2 LYS 19 -13.970 -3.044 6.846 159 HE3 LYS 19 HE1 LYS 19 -12.234 -3.109 6.550 160 HZ1 LYS 19 HZ1 LYS 19 -12.905 -4.674 8.264 161 HZ2 LYS 19 HZ2 LYS 19 -13.541 -3.420 9.195 162 HZ3 LYS 19 HZ3 LYS 19 -11.880 -3.492 8.903 163 H HIS 20 HN HIS 20 -7.272 -1.120 6.404 164 HA HIS 20 HA HIS 20 -6.552 -0.793 9.151 165 HB2 HIS 20 HB2 HIS 20 -5.625 -2.271 6.889 166 HB3 HIS 20 HB1 HIS 20 -4.268 -1.396 7.591 167 HD1 HIS 20 HD1 HIS 20 -6.658 -4.197 8.259 168 HD2 HIS 20 HD2 HIS 20 -3.553 -2.206 10.203 169 HE1 HIS 20 HE1 HIS 20 -6.045 -5.637 10.227 170 HE2 HIS 20 HE2 HIS 20 -4.256 -4.360 11.449 171 H ASN 21 HN ASN 21 -6.176 1.092 6.300 172 HA ASN 21 HA ASN 21 -3.818 2.492 6.849 173 HB2 ASN 21 HB2 ASN 21 -4.720 4.230 5.316 174 HB3 ASN 21 HB1 ASN 21 -4.832 2.604 4.659 175 HD21 ASN 21 HD21 ASN 21 -6.326 4.994 3.941 176 HD22 ASN 21 HD22 ASN 21 -7.995 4.605 4.167 177 H HIS 22 HN HIS 22 -3.429 3.433 8.747 178 HA HIS 22 HA HIS 22 -5.297 5.506 9.647 179 HB2 HIS 22 HB2 HIS 22 -4.227 3.230 11.298 180 HB3 HIS 22 HB1 HIS 22 -4.659 4.760 12.056 181 HD1 HIS 22 HD1 HIS 22 -6.088 1.824 12.274 182 HD2 HIS 22 HD2 HIS 22 -7.461 5.220 10.312 183 HE1 HIS 22 HE1 HIS 22 -8.579 1.530 12.067 184 HE2 HIS 22 HE2 HIS 22 -9.344 3.499 10.702 185 H SER 23 HN SER 23 -2.490 4.356 11.403 186 HA SER 23 HA SER 23 -0.888 6.607 10.440 187 HB2 SER 23 HB2 SER 23 -0.272 6.998 12.934 188 HB3 SER 23 HB1 SER 23 -1.812 7.632 12.347 189 HG SER 23 HG SER 23 -2.373 6.573 14.152 190 H LYS 24 HN LYS 24 -1.046 3.749 12.506 191 HA LYS 24 HA LYS 24 1.785 3.215 11.932 192 HB2 LYS 24 HB2 LYS 24 1.585 1.586 13.860 193 HB3 LYS 24 HB1 LYS 24 1.450 3.287 14.280 194 HG2 LYS 24 HG2 LYS 24 -1.160 2.301 13.737 195 HG3 LYS 24 HG1 LYS 24 -0.353 1.185 14.843 196 HD2 LYS 24 HD2 LYS 24 -0.519 4.173 15.232 197 HD3 LYS 24 HD1 LYS 24 -1.590 3.000 15.999 198 HE2 LYS 24 HE2 LYS 24 0.304 1.973 17.123 199 HE3 LYS 24 HE1 LYS 24 1.410 3.079 16.310 200 HZ1 LYS 24 HZ1 LYS 24 0.404 4.920 17.465 201 HZ2 LYS 24 HZ2 LYS 24 0.902 3.760 18.588 202 HZ3 LYS 24 HZ3 LYS 24 -0.733 3.900 18.189 203 H SER 25 HN SER 25 -0.555 2.724 10.212 204 HA SER 25 HA SER 25 0.089 0.028 9.435 205 HB2 SER 25 HB2 SER 25 -2.511 -0.421 9.331 206 HB3 SER 25 HB1 SER 25 -1.627 -0.704 10.831 207 HG SER 25 HG SER 25 -3.621 1.055 10.315 208 H THR 26 HN THR 26 0.530 2.549 8.332 209 HA THR 26 HA THR 26 -1.430 3.138 6.318 210 HB THR 26 HB THR 26 1.402 4.140 6.356 211 HG1 THR 26 HG1 THR 26 0.862 4.628 8.392 212 HG21 THR 26 HG21 THR 26 0.376 6.180 5.482 213 HG22 THR 26 HG22 THR 26 -1.217 5.431 5.586 214 HG23 THR 26 HG23 THR 26 -0.015 4.794 4.463 215 H TRP 27 HN TRP 27 -1.670 1.417 4.934 216 HA TRP 27 HA TRP 27 0.708 0.328 3.622 217 HB2 TRP 27 HB2 TRP 27 -2.163 -0.623 3.613 218 HB3 TRP 27 HB1 TRP 27 -0.847 -1.408 2.752 219 HD1 TRP 27 HD1 TRP 27 1.072 -0.777 5.533 220 HE1 TRP 27 HE1 TRP 27 0.887 -2.545 7.392 221 HE3 TRP 27 HE3 TRP 27 -3.319 -2.986 4.116 222 HZ2 TRP 27 HZ2 TRP 27 -0.884 -4.599 8.157 223 HZ3 TRP 27 HZ3 TRP 27 -4.186 -4.852 5.468 224 HH2 TRP 27 HH2 TRP 27 -2.991 -5.639 7.445 225 H LEU 28 HN LEU 28 1.040 0.449 1.446 226 HA LEU 28 HA LEU 28 -0.834 2.140 -0.080 227 HB2 LEU 28 HB2 LEU 28 2.179 2.093 -0.085 228 HB3 LEU 28 HB1 LEU 28 1.266 2.746 -1.432 229 HG LEU 28 HG LEU 28 1.160 3.780 1.407 230 HD11 LEU 28 HD11 LEU 28 3.292 4.167 0.084 231 HD12 LEU 28 HD12 LEU 28 2.461 5.605 0.679 232 HD13 LEU 28 HD13 LEU 28 2.310 5.136 -1.013 233 HD21 LEU 28 HD21 LEU 28 -0.104 5.632 0.427 234 HD22 LEU 28 HD22 LEU 28 -0.945 4.095 0.228 235 HD23 LEU 28 HD23 LEU 28 -0.086 4.812 -1.135 236 H ILE 29 HN ILE 29 -1.385 1.480 -2.123 237 HA ILE 29 HA ILE 29 -0.484 -1.207 -2.870 238 HB ILE 29 HB ILE 29 -2.826 0.391 -3.914 239 HG12 ILE 29 HG12 ILE 29 -2.803 -2.046 -2.128 240 HG13 ILE 29 HG11 ILE 29 -3.048 -0.396 -1.563 241 HG21 ILE 29 HG21 ILE 29 -3.499 -1.635 -5.067 242 HG22 ILE 29 HG22 ILE 29 -2.074 -2.476 -4.458 243 HG23 ILE 29 HG23 ILE 29 -1.890 -1.137 -5.591 244 HD11 ILE 29 HD11 ILE 29 -4.812 -1.640 -3.641 245 HD12 ILE 29 HD12 ILE 29 -5.120 -0.221 -2.642 246 HD13 ILE 29 HD13 ILE 29 -5.113 -1.826 -1.916 247 H LEU 30 HN LEU 30 1.081 -1.346 -4.296 248 HA LEU 30 HA LEU 30 1.193 0.644 -6.464 249 HB2 LEU 30 HB2 LEU 30 3.509 -0.561 -4.948 250 HB3 LEU 30 HB1 LEU 30 3.678 0.359 -6.430 251 HG LEU 30 HG LEU 30 2.487 1.458 -3.882 252 HD11 LEU 30 HD11 LEU 30 4.600 2.679 -3.655 253 HD12 LEU 30 HD12 LEU 30 5.252 1.788 -5.029 254 HD13 LEU 30 HD13 LEU 30 4.827 0.935 -3.546 255 HD21 LEU 30 HD21 LEU 30 3.304 2.750 -6.480 256 HD22 LEU 30 HD22 LEU 30 2.837 3.627 -5.021 257 HD23 LEU 30 HD23 LEU 30 1.669 2.592 -5.843 258 H HIS 31 HN HIS 31 0.700 -0.341 -8.294 259 HA HIS 31 HA HIS 31 0.610 -1.846 -9.981 260 HB2 HIS 31 HB2 HIS 31 3.219 -2.491 -8.704 261 HB3 HIS 31 HB1 HIS 31 2.563 -3.666 -9.837 262 HD1 HIS 31 HD1 HIS 31 4.119 -3.291 -11.784 263 HD2 HIS 31 HD2 HIS 31 2.420 0.235 -10.389 264 HE1 HIS 31 HE1 HIS 31 4.751 -1.527 -13.458 265 HE2 HIS 31 HE2 HIS 31 3.566 0.564 -12.688 266 H HIS 32 HN HIS 32 -0.966 -2.250 -7.761 267 HA HIS 32 HA HIS 32 -2.462 -3.720 -6.934 268 HB2 HIS 32 HB2 HIS 32 -1.246 -5.594 -8.968 269 HB3 HIS 32 HB1 HIS 32 -2.664 -5.976 -8.000 270 HD1 HIS 32 HD1 HIS 32 -1.858 -4.868 -11.237 271 HD2 HIS 32 HD2 HIS 32 -4.692 -3.698 -8.423 272 HE1 HIS 32 HE1 HIS 32 -3.647 -3.657 -12.531 273 HE2 HIS 32 HE2 HIS 32 -5.428 -3.110 -10.829 274 H LYS 33 HN LYS 33 0.503 -3.618 -6.087 275 HA LYS 33 HA LYS 33 0.463 -6.053 -4.430 276 HB2 LYS 33 HB2 LYS 33 2.865 -4.323 -5.031 277 HB3 LYS 33 HB1 LYS 33 2.854 -5.913 -4.280 278 HG2 LYS 33 HG2 LYS 33 2.143 -6.929 -6.363 279 HG3 LYS 33 HG1 LYS 33 2.039 -5.342 -7.127 280 HD2 LYS 33 HD2 LYS 33 4.097 -6.153 -7.844 281 HD3 LYS 33 HD1 LYS 33 4.521 -5.109 -6.486 282 HE2 LYS 33 HE2 LYS 33 5.781 -7.031 -6.111 283 HE3 LYS 33 HE1 LYS 33 4.378 -7.251 -5.069 284 HZ1 LYS 33 HZ1 LYS 33 4.914 -9.264 -6.296 285 HZ2 LYS 33 HZ2 LYS 33 4.720 -8.451 -7.763 286 HZ3 LYS 33 HZ3 LYS 33 3.387 -8.684 -6.746 287 H VAL 34 HN VAL 34 0.994 -5.829 -2.178 288 HA VAL 34 HA VAL 34 0.249 -3.182 -1.156 289 HB VAL 34 HB VAL 34 0.399 -5.741 0.436 290 HG11 VAL 34 HG11 VAL 34 -1.075 -4.575 1.977 291 HG12 VAL 34 HG12 VAL 34 -1.107 -3.170 0.912 292 HG13 VAL 34 HG13 VAL 34 0.395 -3.637 1.709 293 HG21 VAL 34 HG21 VAL 34 -1.162 -6.065 -1.415 294 HG22 VAL 34 HG22 VAL 34 -2.003 -4.579 -0.969 295 HG23 VAL 34 HG23 VAL 34 -2.012 -5.962 0.127 296 H TYR 35 HN TYR 35 1.715 -1.907 -0.279 297 HA TYR 35 HA TYR 35 4.204 -3.104 0.761 298 HB2 TYR 35 HB2 TYR 35 3.807 -0.481 -0.693 299 HB3 TYR 35 HB1 TYR 35 5.292 -0.922 0.142 300 HD1 TYR 35 HD2 TYR 35 6.732 -2.680 -0.739 301 HD2 TYR 35 HD1 TYR 35 3.223 -1.482 -2.814 302 HE1 TYR 35 HE2 TYR 35 7.556 -3.801 -2.764 303 HE2 TYR 35 HE1 TYR 35 4.034 -2.606 -4.846 304 HH TYR 35 HH TYR 35 6.239 -3.289 -5.810 305 H ASP 36 HN ASP 36 4.742 -2.612 2.808 306 HA ASP 36 HA ASP 36 3.106 -0.598 4.198 307 HB2 ASP 36 HB2 ASP 36 2.835 -2.757 5.229 308 HB3 ASP 36 HB1 ASP 36 4.575 -3.017 5.268 309 H LEU 37 HN LEU 37 4.054 1.233 4.509 310 HA LEU 37 HA LEU 37 6.870 1.309 5.311 311 HB2 LEU 37 HB2 LEU 37 7.382 3.110 3.838 312 HB3 LEU 37 HB1 LEU 37 6.653 1.850 2.863 313 HG LEU 37 HG LEU 37 4.969 4.099 3.905 314 HD11 LEU 37 HD11 LEU 37 6.866 4.169 1.579 315 HD12 LEU 37 HD12 LEU 37 6.684 5.334 2.891 316 HD13 LEU 37 HD13 LEU 37 5.432 5.193 1.656 317 HD21 LEU 37 HD21 LEU 37 3.999 2.050 2.809 318 HD22 LEU 37 HD22 LEU 37 4.806 2.556 1.326 319 HD23 LEU 37 HD23 LEU 37 3.577 3.585 2.054 320 H THR 38 HN THR 38 4.346 1.404 6.700 321 HA THR 38 HA THR 38 3.479 3.974 7.325 322 HB THR 38 HB THR 38 2.416 1.713 7.907 323 HG1 THR 38 HG1 THR 38 2.457 3.909 9.727 324 HG21 THR 38 HG21 THR 38 4.085 2.103 10.399 325 HG22 THR 38 HG22 THR 38 4.296 0.812 9.214 326 HG23 THR 38 HG23 THR 38 2.817 0.897 10.173 327 H LYS 39 HN LYS 39 6.371 2.369 8.376 328 HA LYS 39 HA LYS 39 6.769 4.460 10.403 329 HB2 LYS 39 HB2 LYS 39 7.516 1.638 10.253 330 HB3 LYS 39 HB1 LYS 39 8.860 2.680 10.706 331 HG2 LYS 39 HG2 LYS 39 6.176 2.674 12.083 332 HG3 LYS 39 HG1 LYS 39 7.590 1.773 12.639 333 HD2 LYS 39 HD2 LYS 39 8.807 3.774 13.049 334 HD3 LYS 39 HD1 LYS 39 7.614 4.754 12.198 335 HE2 LYS 39 HE2 LYS 39 5.961 4.260 13.922 336 HE3 LYS 39 HE1 LYS 39 7.134 3.247 14.766 337 HZ1 LYS 39 HZ1 LYS 39 7.423 6.161 14.274 338 HZ2 LYS 39 HZ2 LYS 39 8.519 5.185 15.111 339 HZ3 LYS 39 HZ3 LYS 39 6.977 5.458 15.745 340 H PHE 40 HN PHE 40 7.237 4.235 7.317 341 HA PHE 40 HA PHE 40 9.962 5.362 7.372 342 HB2 PHE 40 HB2 PHE 40 9.581 3.206 6.056 343 HB3 PHE 40 HB1 PHE 40 8.600 4.165 4.956 344 HD1 PHE 40 HD1 PHE 40 12.007 3.999 6.441 345 HD2 PHE 40 HD2 PHE 40 9.592 5.243 3.160 346 HE1 PHE 40 HE1 PHE 40 14.031 4.624 5.189 347 HE2 PHE 40 HE2 PHE 40 11.611 5.870 1.904 348 HZ PHE 40 HZ PHE 40 13.833 5.559 2.917 349 H LEU 41 HN LEU 41 6.778 6.150 7.176 350 HA LEU 41 HA LEU 41 6.515 7.927 5.054 351 HB2 LEU 41 HB2 LEU 41 5.313 8.298 7.799 352 HB3 LEU 41 HB1 LEU 41 4.697 8.924 6.284 353 HG LEU 41 HG LEU 41 4.856 5.986 6.949 354 HD11 LEU 41 HD11 LEU 41 3.335 7.131 8.471 355 HD12 LEU 41 HD12 LEU 41 2.452 6.114 7.332 356 HD13 LEU 41 HD13 LEU 41 2.500 7.861 7.099 357 HD21 LEU 41 HD21 LEU 41 3.436 7.488 4.750 358 HD22 LEU 41 HD22 LEU 41 3.312 5.754 5.056 359 HD23 LEU 41 HD23 LEU 41 4.853 6.454 4.561 360 H GLU 42 HN GLU 42 7.865 8.429 8.262 361 HA GLU 42 HA GLU 42 8.268 11.248 7.878 362 HB2 GLU 42 HB2 GLU 42 9.539 11.015 10.046 363 HB3 GLU 42 HB1 GLU 42 7.843 10.553 10.091 364 HG2 GLU 42 HG2 GLU 42 8.340 8.278 10.186 365 HG3 GLU 42 HG1 GLU 42 9.997 8.523 9.635 366 H GLU 43 HN GLU 43 9.855 8.611 6.675 367 HA GLU 43 HA GLU 43 12.447 10.021 6.625 368 HB2 GLU 43 HB2 GLU 43 12.097 7.074 6.099 369 HB3 GLU 43 HB1 GLU 43 13.571 7.942 6.507 370 HG2 GLU 43 HG2 GLU 43 12.022 8.442 8.683 371 HG3 GLU 43 HG1 GLU 43 11.500 6.819 8.237 372 H HIS 44 HN HIS 44 9.796 9.494 4.862 373 HA HIS 44 HA HIS 44 11.011 8.828 2.332 374 HB2 HIS 44 HB2 HIS 44 8.735 8.044 2.949 375 HB3 HIS 44 HB1 HIS 44 8.187 9.718 2.958 376 HD1 HIS 44 HD1 HIS 44 7.383 10.638 0.762 377 HD2 HIS 44 HD2 HIS 44 9.570 7.126 0.324 378 HE1 HIS 44 HE1 HIS 44 7.193 9.982 -1.669 379 HA PRO 45 HA PRO 45 12.017 13.107 1.517 380 HB2 PRO 45 HB2 PRO 45 12.872 12.721 -1.045 381 HB3 PRO 45 HB1 PRO 45 13.863 12.346 0.373 382 HG2 PRO 45 HG2 PRO 45 12.265 10.507 -1.341 383 HG3 PRO 45 HG1 PRO 45 13.868 10.267 -0.620 384 HD2 PRO 45 HD2 PRO 45 11.618 9.184 0.423 385 HD3 PRO 45 HD1 PRO 45 13.010 9.658 1.417 386 H GLY 46 HN GLY 46 10.334 14.429 1.245 387 HA2 GLY 46 HA2 GLY 46 9.176 15.546 -0.706 388 HA3 GLY 46 HA1 GLY 46 8.518 13.946 -1.026 389 H GLY 47 HN GLY 47 8.416 13.483 1.954 390 HA2 GLY 47 HA2 GLY 47 7.152 14.627 3.741 391 HA3 GLY 47 HA1 GLY 47 6.045 15.157 2.485 392 H GLU 48 HN GLU 48 4.882 13.977 4.532 393 HA GLU 48 HA GLU 48 4.456 11.185 3.719 394 HB2 GLU 48 HB2 GLU 48 3.844 10.653 5.929 395 HB3 GLU 48 HB1 GLU 48 5.259 11.679 6.077 396 HG2 GLU 48 HG2 GLU 48 2.452 12.702 6.344 397 HG3 GLU 48 HG1 GLU 48 3.405 12.117 7.704 398 H GLU 49 HN GLU 49 3.032 14.258 3.775 399 HA GLU 49 HA GLU 49 0.317 13.644 4.156 400 HB2 GLU 49 HB2 GLU 49 1.458 15.956 4.001 401 HB3 GLU 49 HB1 GLU 49 1.269 15.780 2.262 402 HG2 GLU 49 HG2 GLU 49 -0.588 17.013 2.905 403 HG3 GLU 49 HG1 GLU 49 -1.206 15.367 2.763 404 H VAL 50 HN VAL 50 2.296 13.787 1.240 405 HA VAL 50 HA VAL 50 0.245 13.119 -0.575 406 HB VAL 50 HB VAL 50 2.081 12.558 -2.153 407 HG11 VAL 50 HG11 VAL 50 3.137 14.833 -2.118 408 HG12 VAL 50 HG12 VAL 50 2.303 15.127 -0.592 409 HG13 VAL 50 HG13 VAL 50 1.374 14.832 -2.062 410 HG21 VAL 50 HG21 VAL 50 4.406 12.894 -1.463 411 HG22 VAL 50 HG22 VAL 50 3.654 11.579 -0.559 412 HG23 VAL 50 HG23 VAL 50 3.879 13.155 0.201 413 H LEU 51 HN LEU 51 1.862 11.237 1.724 414 HA LEU 51 HA LEU 51 1.451 8.731 0.289 415 HB2 LEU 51 HB2 LEU 51 2.620 9.215 3.029 416 HB3 LEU 51 HB1 LEU 51 2.614 7.691 2.165 417 HG LEU 51 HG LEU 51 4.104 10.181 1.328 418 HD11 LEU 51 HD11 LEU 51 5.072 7.565 2.474 419 HD12 LEU 51 HD12 LEU 51 5.084 9.131 3.285 420 HD13 LEU 51 HD13 LEU 51 6.101 8.863 1.869 421 HD21 LEU 51 HD21 LEU 51 3.990 7.421 0.107 422 HD22 LEU 51 HD22 LEU 51 5.142 8.675 -0.347 423 HD23 LEU 51 HD23 LEU 51 3.417 8.922 -0.617 424 H ARG 52 HN ARG 52 0.394 10.341 3.287 425 HA ARG 52 HA ARG 52 -1.310 8.228 4.086 426 HB2 ARG 52 HB2 ARG 52 -2.371 9.970 5.584 427 HB3 ARG 52 HB1 ARG 52 -0.654 9.688 5.803 428 HG2 ARG 52 HG2 ARG 52 -0.769 11.974 5.902 429 HG3 ARG 52 HG1 ARG 52 -0.390 11.720 4.200 430 HD2 ARG 52 HD2 ARG 52 -2.166 13.403 4.547 431 HD3 ARG 52 HD1 ARG 52 -2.703 12.026 3.587 432 HE ARG 52 HE ARG 52 -3.934 11.244 5.483 433 HH11 ARG 52 HH11 ARG 52 -2.519 14.455 5.882 434 HH12 ARG 52 HH12 ARG 52 -3.742 14.945 7.124 435 HH21 ARG 52 HH21 ARG 52 -5.477 11.828 7.043 436 HH22 ARG 52 HH22 ARG 52 -5.398 13.478 7.769 437 H GLU 53 HN GLU 53 -1.747 10.784 1.794 438 HA GLU 53 HA GLU 53 -4.613 10.645 1.826 439 HB2 GLU 53 HB2 GLU 53 -4.547 12.112 -0.090 440 HB3 GLU 53 HB1 GLU 53 -3.401 12.682 1.114 441 HG2 GLU 53 HG2 GLU 53 -1.673 12.457 -0.266 442 HG3 GLU 53 HG1 GLU 53 -2.204 10.867 -0.813 443 H GLN 54 HN GLN 54 -2.063 8.908 0.310 444 HA GLN 54 HA GLN 54 -3.879 7.681 -1.631 445 HB2 GLN 54 HB2 GLN 54 -0.888 7.432 -1.244 446 HB3 GLN 54 HB1 GLN 54 -1.801 6.581 -2.479 447 HG2 GLN 54 HG2 GLN 54 -1.841 9.573 -2.301 448 HG3 GLN 54 HG1 GLN 54 -0.546 8.716 -3.133 449 HE21 GLN 54 HE21 GLN 54 -3.836 9.704 -3.227 450 HE22 GLN 54 HE22 GLN 54 -4.189 9.133 -4.821 451 H ALA 55 HN ALA 55 -2.900 7.275 1.485 452 HA ALA 55 HA ALA 55 -2.401 4.531 1.748 453 HB1 ALA 55 HB1 ALA 55 -3.698 6.379 3.743 454 HB2 ALA 55 HB2 ALA 55 -1.963 6.170 3.515 455 HB3 ALA 55 HB3 ALA 55 -2.944 4.824 4.094 456 H GLY 56 HN GLY 56 -3.666 2.781 1.745 457 HA2 GLY 56 HA2 GLY 56 -5.617 1.515 1.960 458 HA3 GLY 56 HA1 GLY 56 -6.523 2.999 2.232 459 H GLY 57 HN GLY 57 -4.509 3.317 -0.399 460 HA2 GLY 57 HA2 GLY 57 -6.440 2.263 -2.333 461 HA3 GLY 57 HA1 GLY 57 -6.055 3.980 -2.384 462 H ASP 58 HN ASP 58 -5.360 3.250 -4.628 463 HA ASP 58 HA ASP 58 -2.655 2.123 -4.509 464 HB2 ASP 58 HB2 ASP 58 -2.891 1.345 -6.736 465 HB3 ASP 58 HB1 ASP 58 -4.388 0.921 -5.917 466 H ALA 59 HN ALA 59 -0.964 3.145 -5.414 467 HA ALA 59 HA ALA 59 -1.434 5.932 -6.260 468 HB1 ALA 59 HB1 ALA 59 0.860 6.383 -5.454 469 HB2 ALA 59 HB2 ALA 59 0.960 4.717 -4.884 470 HB3 ALA 59 HB3 ALA 59 -0.214 5.824 -4.173 471 H THR 60 HN THR 60 -1.552 3.614 -7.956 472 HA THR 60 HA THR 60 0.767 3.084 -9.406 473 HB THR 60 HB THR 60 -1.899 3.213 -10.771 474 HG1 THR 60 HG1 THR 60 -2.657 2.182 -9.047 475 HG21 THR 60 HG21 THR 60 0.329 1.168 -10.764 476 HG22 THR 60 HG22 THR 60 0.053 2.385 -12.009 477 HG23 THR 60 HG23 THR 60 -1.129 1.101 -11.755 478 H GLU 61 HN GLU 61 -1.708 5.560 -9.892 479 HA GLU 61 HA GLU 61 -0.527 6.655 -12.245 480 HB2 GLU 61 HB2 GLU 61 -2.153 8.555 -11.770 481 HB3 GLU 61 HB1 GLU 61 -2.855 6.964 -12.024 482 HG2 GLU 61 HG2 GLU 61 -2.940 6.704 -9.532 483 HG3 GLU 61 HG1 GLU 61 -2.459 8.394 -9.406 484 H ASN 62 HN ASN 62 0.502 6.787 -9.102 485 HA ASN 62 HA ASN 62 1.618 9.492 -9.426 486 HB2 ASN 62 HB2 ASN 62 0.167 8.808 -7.373 487 HB3 ASN 62 HB1 ASN 62 1.622 7.979 -6.832 488 HD21 ASN 62 HD21 ASN 62 0.132 10.337 -5.779 489 HD22 ASN 62 HD22 ASN 62 1.332 11.576 -5.625 490 H PHE 63 HN PHE 63 2.422 6.166 -8.549 491 HA PHE 63 HA PHE 63 5.122 6.466 -7.969 492 HB2 PHE 63 HB2 PHE 63 4.037 4.403 -7.477 493 HB3 PHE 63 HB1 PHE 63 3.596 4.152 -9.161 494 HD1 PHE 63 HD2 PHE 63 6.594 4.489 -6.966 495 HD2 PHE 63 HD1 PHE 63 4.902 2.781 -10.482 496 HE1 PHE 63 HE2 PHE 63 8.637 3.158 -7.304 497 HE2 PHE 63 HE1 PHE 63 6.940 1.448 -10.823 498 HZ PHE 63 HZ PHE 63 8.812 1.635 -9.234 499 H GLU 64 HN GLU 64 3.670 5.648 -11.133 500 HA GLU 64 HA GLU 64 6.258 5.906 -12.420 501 HB2 GLU 64 HB2 GLU 64 4.158 5.685 -14.341 502 HB3 GLU 64 HB1 GLU 64 5.382 4.500 -13.911 503 HG2 GLU 64 HG2 GLU 64 3.882 3.813 -12.009 504 HG3 GLU 64 HG1 GLU 64 2.637 4.825 -12.740 505 H ASP 65 HN ASP 65 4.093 8.078 -11.362 506 HA ASP 65 HA ASP 65 4.041 9.831 -13.664 507 HB2 ASP 65 HB2 ASP 65 2.103 9.919 -12.256 508 HB3 ASP 65 HB1 ASP 65 3.087 10.155 -10.816 509 H VAL 66 HN VAL 66 5.425 9.922 -10.392 510 HA VAL 66 HA VAL 66 7.033 12.224 -10.991 511 HB VAL 66 HB VAL 66 7.354 10.367 -8.635 512 HG11 VAL 66 HG11 VAL 66 8.244 12.356 -7.527 513 HG12 VAL 66 HG12 VAL 66 8.008 13.290 -9.005 514 HG13 VAL 66 HG13 VAL 66 9.171 11.962 -8.975 515 HG21 VAL 66 HG21 VAL 66 5.005 11.107 -8.853 516 HG22 VAL 66 HG22 VAL 66 5.556 12.780 -8.831 517 HG23 VAL 66 HG23 VAL 66 5.794 11.757 -7.419 518 H GLY 67 HN GLY 67 7.631 8.752 -10.580 519 HA2 GLY 67 HA2 GLY 67 9.267 7.562 -11.814 520 HA3 GLY 67 HA1 GLY 67 10.101 9.080 -12.111 521 H HIS 68 HN HIS 68 10.515 6.271 -10.652 522 HA HIS 68 HA HIS 68 11.911 7.416 -8.323 523 HB2 HIS 68 HB2 HIS 68 10.541 4.785 -8.759 524 HB3 HIS 68 HB1 HIS 68 11.831 4.916 -7.568 525 HD1 HIS 68 HD1 HIS 68 8.621 6.848 -8.357 526 HD2 HIS 68 HD2 HIS 68 10.888 5.499 -5.142 527 HE1 HIS 68 HE1 HIS 68 7.374 7.539 -6.273 528 H SER 69 HN SER 69 14.000 6.701 -7.840 529 HA SER 69 HA SER 69 15.680 6.232 -10.047 530 HB2 SER 69 HB2 SER 69 17.436 5.858 -8.250 531 HB3 SER 69 HB1 SER 69 16.587 7.399 -8.176 532 HG SER 69 HG SER 69 16.158 6.852 -6.198 533 H THR 70 HN THR 70 17.227 4.443 -10.258 534 HA THR 70 HA THR 70 15.917 1.977 -10.505 535 HB THR 70 HB THR 70 18.891 2.034 -10.384 536 HG1 THR 70 HG1 THR 70 18.790 3.057 -12.539 537 HG21 THR 70 HG21 THR 70 16.867 0.949 -12.354 538 HG22 THR 70 HG22 THR 70 17.736 0.019 -11.133 539 HG23 THR 70 HG23 THR 70 18.614 0.745 -12.481 540 H ASP 71 HN ASP 71 17.562 3.384 -7.827 541 HA ASP 71 HA ASP 71 17.964 0.827 -6.504 542 HB2 ASP 71 HB2 ASP 71 19.659 2.568 -6.198 543 HB3 ASP 71 HB1 ASP 71 18.442 3.650 -5.525 544 H ALA 72 HN ALA 72 15.866 3.651 -6.272 545 HA ALA 72 HA ALA 72 14.564 3.061 -3.875 546 HB1 ALA 72 HB1 ALA 72 13.445 4.447 -6.301 547 HB2 ALA 72 HB2 ALA 72 14.397 5.208 -5.027 548 HB3 ALA 72 HB3 ALA 72 12.805 4.543 -4.661 549 H ARG 73 HN ARG 73 13.800 2.045 -7.184 550 HA ARG 73 HA ARG 73 11.372 0.757 -6.568 551 HB2 ARG 73 HB2 ARG 73 11.849 -0.521 -8.736 552 HB3 ARG 73 HB1 ARG 73 11.694 1.227 -8.832 553 HG2 ARG 73 HG2 ARG 73 13.684 1.356 -9.784 554 HG3 ARG 73 HG1 ARG 73 14.423 0.618 -8.361 555 HD2 ARG 73 HD2 ARG 73 14.967 -0.662 -10.343 556 HD3 ARG 73 HD1 ARG 73 13.925 -1.603 -9.278 557 HE ARG 73 HE ARG 73 12.840 -0.157 -11.607 558 HH11 ARG 73 HH11 ARG 73 13.302 -3.124 -9.748 559 HH12 ARG 73 HH12 ARG 73 12.139 -4.054 -10.777 560 HH21 ARG 73 HH21 ARG 73 11.376 -1.317 -12.909 561 HH22 ARG 73 HH22 ARG 73 11.071 -3.056 -12.533 562 H GLU 74 HN GLU 74 14.673 -0.271 -6.215 563 HA GLU 74 HA GLU 74 13.918 -3.045 -5.815 564 HB2 GLU 74 HB2 GLU 74 16.593 -1.661 -5.518 565 HB3 GLU 74 HB1 GLU 74 16.330 -3.395 -5.379 566 HG2 GLU 74 HG2 GLU 74 15.922 -1.705 -7.836 567 HG3 GLU 74 HG1 GLU 74 17.221 -2.866 -7.553 568 H LEU 75 HN LEU 75 14.541 -0.169 -4.008 569 HA LEU 75 HA LEU 75 15.013 -1.354 -1.475 570 HB2 LEU 75 HB2 LEU 75 15.633 0.951 -1.935 571 HB3 LEU 75 HB1 LEU 75 13.958 1.376 -2.228 572 HG LEU 75 HG LEU 75 13.459 0.864 0.157 573 HD11 LEU 75 HD11 LEU 75 15.394 0.745 1.708 574 HD12 LEU 75 HD12 LEU 75 16.449 0.542 0.309 575 HD13 LEU 75 HD13 LEU 75 15.224 -0.673 0.673 576 HD21 LEU 75 HD21 LEU 75 14.446 2.894 1.041 577 HD22 LEU 75 HD22 LEU 75 13.904 3.151 -0.619 578 HD23 LEU 75 HD23 LEU 75 15.620 2.920 -0.276 579 H SER 76 HN SER 76 12.208 -0.882 -3.376 580 HA SER 76 HA SER 76 10.249 -0.818 -1.327 581 HB2 SER 76 HB2 SER 76 9.877 -1.853 -4.142 582 HB3 SER 76 HB1 SER 76 8.653 -1.156 -3.084 583 HG SER 76 HG SER 76 10.784 0.511 -3.494 584 H LYS 77 HN LYS 77 12.268 -3.291 -2.441 585 HA LYS 77 HA LYS 77 10.547 -5.528 -2.118 586 HB2 LYS 77 HB2 LYS 77 13.179 -5.079 -3.013 587 HB3 LYS 77 HB1 LYS 77 13.305 -6.208 -1.671 588 HG2 LYS 77 HG2 LYS 77 11.685 -7.679 -2.758 589 HG3 LYS 77 HG1 LYS 77 11.570 -6.551 -4.111 590 HD2 LYS 77 HD2 LYS 77 13.995 -6.845 -4.503 591 HD3 LYS 77 HD1 LYS 77 14.025 -8.054 -3.217 592 HE2 LYS 77 HE2 LYS 77 12.375 -9.391 -4.476 593 HE3 LYS 77 HE1 LYS 77 12.435 -8.202 -5.775 594 HZ1 LYS 77 HZ1 LYS 77 13.859 -10.034 -6.306 595 HZ2 LYS 77 HZ2 LYS 77 14.674 -9.907 -4.832 596 HZ3 LYS 77 HZ3 LYS 77 14.829 -8.687 -5.988 597 H THR 78 HN THR 78 11.838 -3.439 0.158 598 HA THR 78 HA THR 78 11.850 -5.526 2.225 599 HB THR 78 HB THR 78 13.862 -3.985 1.994 600 HG1 THR 78 HG1 THR 78 12.400 -4.397 4.371 601 HG21 THR 78 HG21 THR 78 12.736 -1.874 1.610 602 HG22 THR 78 HG22 THR 78 13.669 -1.778 3.105 603 HG23 THR 78 HG23 THR 78 11.918 -1.991 3.168 604 H PHE 79 HN PHE 79 9.699 -3.619 0.833 605 HA PHE 79 HA PHE 79 8.271 -3.035 3.346 606 HB2 PHE 79 HB2 PHE 79 8.158 -1.562 0.707 607 HB3 PHE 79 HB1 PHE 79 7.068 -1.258 2.053 608 HD1 PHE 79 HD2 PHE 79 8.595 -1.075 4.383 609 HD2 PHE 79 HD1 PHE 79 9.709 0.089 0.447 610 HE1 PHE 79 HE2 PHE 79 10.203 0.535 5.317 611 HE2 PHE 79 HE1 PHE 79 11.321 1.702 1.375 612 HZ PHE 79 HZ PHE 79 11.569 1.923 3.814 613 H ILE 80 HN ILE 80 8.342 -4.981 0.653 614 HA ILE 80 HA ILE 80 5.526 -5.136 0.141 615 HB ILE 80 HB ILE 80 7.075 -5.620 -1.652 616 HG12 ILE 80 HG12 ILE 80 6.256 -7.999 -2.234 617 HG13 ILE 80 HG11 ILE 80 5.356 -7.904 -0.724 618 HG21 ILE 80 HG21 ILE 80 8.956 -6.482 -0.439 619 HG22 ILE 80 HG22 ILE 80 8.457 -7.667 -1.646 620 HG23 ILE 80 HG23 ILE 80 8.040 -7.908 0.052 621 HD11 ILE 80 HD11 ILE 80 3.973 -7.302 -2.630 622 HD12 ILE 80 HD12 ILE 80 5.101 -6.013 -3.051 623 HD13 ILE 80 HD13 ILE 80 4.189 -5.928 -1.544 624 H ILE 81 HN ILE 81 4.057 -6.264 1.246 625 HA ILE 81 HA ILE 81 4.977 -8.552 2.852 626 HB ILE 81 HB ILE 81 3.540 -8.007 4.675 627 HG12 ILE 81 HG12 ILE 81 1.755 -6.932 3.151 628 HG13 ILE 81 HG11 ILE 81 1.967 -6.266 4.764 629 HG21 ILE 81 HG21 ILE 81 5.123 -5.589 3.832 630 HG22 ILE 81 HG22 ILE 81 5.699 -6.965 4.775 631 HG23 ILE 81 HG23 ILE 81 4.495 -5.871 5.456 632 HD11 ILE 81 HD11 ILE 81 1.682 -4.493 3.162 633 HD12 ILE 81 HD12 ILE 81 3.022 -5.110 2.198 634 HD13 ILE 81 HD13 ILE 81 3.323 -4.455 3.805 635 H GLY 82 HN GLY 82 3.153 -7.720 0.289 636 HA2 GLY 82 HA2 GLY 82 1.877 -10.130 -0.011 637 HA3 GLY 82 HA1 GLY 82 0.736 -9.136 0.879 638 H GLU 83 HN GLU 83 -0.511 -9.675 -1.123 639 HA GLU 83 HA GLU 83 -0.168 -7.510 -3.057 640 HB2 GLU 83 HB2 GLU 83 0.428 -10.204 -3.644 641 HB3 GLU 83 HB1 GLU 83 -1.109 -9.859 -4.427 642 HG2 GLU 83 HG2 GLU 83 -0.107 -7.913 -5.521 643 HG3 GLU 83 HG1 GLU 83 1.438 -8.291 -4.762 644 H LEU 84 HN LEU 84 -2.192 -7.490 -4.561 645 HA LEU 84 HA LEU 84 -4.463 -7.314 -2.809 646 HB2 LEU 84 HB2 LEU 84 -3.716 -6.330 -5.454 647 HB3 LEU 84 HB1 LEU 84 -5.398 -6.820 -5.354 648 HG LEU 84 HG LEU 84 -5.094 -4.424 -4.904 649 HD11 LEU 84 HD11 LEU 84 -6.453 -4.297 -2.933 650 HD12 LEU 84 HD12 LEU 84 -5.944 -5.907 -2.428 651 HD13 LEU 84 HD13 LEU 84 -6.944 -5.712 -3.866 652 HD21 LEU 84 HD21 LEU 84 -4.002 -3.700 -2.832 653 HD22 LEU 84 HD22 LEU 84 -2.872 -4.486 -3.935 654 HD23 LEU 84 HD23 LEU 84 -3.489 -5.360 -2.535 655 H HIS 85 HN HIS 85 -6.312 -8.393 -2.859 656 HA HIS 85 HA HIS 85 -6.420 -11.094 -3.447 657 HB2 HIS 85 HB2 HIS 85 -7.888 -9.655 -1.919 658 HB3 HIS 85 HB1 HIS 85 -8.804 -9.245 -3.358 659 HD1 HIS 85 HD1 HIS 85 -10.954 -10.411 -3.074 660 HD2 HIS 85 HD2 HIS 85 -7.709 -12.859 -2.168 661 HE1 HIS 85 HE1 HIS 85 -11.922 -12.686 -2.587 662 HE2 HIS 85 HE2 HIS 85 -9.966 -14.075 -1.838 663 HA PRO 86 HA PRO 86 -6.778 -11.128 -7.901 664 HB2 PRO 86 HB2 PRO 86 -8.011 -13.604 -8.089 665 HB3 PRO 86 HB1 PRO 86 -6.267 -13.335 -8.004 666 HG2 PRO 86 HG2 PRO 86 -8.160 -14.090 -5.834 667 HG3 PRO 86 HG1 PRO 86 -6.498 -14.640 -6.123 668 HD2 PRO 86 HD2 PRO 86 -7.045 -12.839 -4.227 669 HD3 PRO 86 HD1 PRO 86 -5.564 -12.726 -5.201 670 H ASP 87 HN ASP 87 -9.573 -12.254 -6.017 671 HA ASP 87 HA ASP 87 -11.501 -11.835 -8.022 672 HB2 ASP 87 HB2 ASP 87 -11.801 -11.886 -5.015 673 HB3 ASP 87 HB1 ASP 87 -13.144 -11.925 -6.153 674 H ASP 88 HN ASP 88 -9.864 -9.654 -5.953 675 HA ASP 88 HA ASP 88 -11.799 -7.522 -6.554 676 HB2 ASP 88 HB2 ASP 88 -9.655 -7.683 -4.421 677 HB3 ASP 88 HB1 ASP 88 -10.618 -6.247 -4.744 678 H ARG 89 HN ARG 89 -9.441 -8.773 -8.109 679 HA ARG 89 HA ARG 89 -8.099 -6.229 -8.731 680 HB2 ARG 89 HB2 ARG 89 -6.617 -7.969 -7.704 681 HB3 ARG 89 HB1 ARG 89 -6.944 -8.998 -9.091 682 HG2 ARG 89 HG2 ARG 89 -6.076 -7.025 -10.488 683 HG3 ARG 89 HG1 ARG 89 -5.401 -6.440 -8.966 684 HD2 ARG 89 HD2 ARG 89 -4.832 -9.072 -10.318 685 HD3 ARG 89 HD1 ARG 89 -3.729 -7.712 -10.134 686 HE ARG 89 HE ARG 89 -4.731 -8.880 -7.671 687 HH11 ARG 89 HH11 ARG 89 -2.164 -8.728 -10.068 688 HH12 ARG 89 HH12 ARG 89 -0.943 -9.485 -8.980 689 HH21 ARG 89 HH21 ARG 89 -3.208 -9.822 -6.247 690 HH22 ARG 89 HH22 ARG 89 -1.513 -10.087 -6.841 691 H SER 90 HN SER 90 -8.708 -9.416 -10.237 692 HA SER 90 HA SER 90 -9.226 -7.986 -12.756 693 HB2 SER 90 HB2 SER 90 -8.482 -10.894 -12.495 694 HB3 SER 90 HB1 SER 90 -8.415 -9.881 -13.938 695 HG SER 90 HG SER 90 -6.755 -8.663 -12.883 696 H LYS 91 HN LYS 91 -11.191 -8.460 -10.642 697 HA LYS 91 HA LYS 91 -13.183 -9.788 -12.300 698 HB2 LYS 91 HB2 LYS 91 -12.226 -10.782 -9.691 699 HB3 LYS 91 HB1 LYS 91 -13.973 -10.728 -9.881 700 HG2 LYS 91 HG2 LYS 91 -13.791 -12.091 -11.907 701 HG3 LYS 91 HG1 LYS 91 -12.038 -12.147 -11.702 702 HD2 LYS 91 HD2 LYS 91 -13.582 -12.958 -9.343 703 HD3 LYS 91 HD1 LYS 91 -13.778 -14.008 -10.746 704 HE2 LYS 91 HE2 LYS 91 -11.103 -13.176 -9.640 705 HE3 LYS 91 HE1 LYS 91 -11.933 -14.658 -9.172 706 HZ1 LYS 91 HZ1 LYS 91 -10.695 -13.953 -11.739 707 HZ2 LYS 91 HZ2 LYS 91 -11.990 -15.038 -11.724 708 HZ3 LYS 91 HZ3 LYS 91 -10.591 -15.391 -10.851 709 H LEU 92 HN LEU 92 -12.906 -8.428 -9.013 710 HA LEU 92 HA LEU 92 -14.030 -6.785 -7.931 711 HB2 LEU 92 HB2 LEU 92 -14.228 -5.852 -10.767 712 HB3 LEU 92 HB1 LEU 92 -15.172 -5.035 -9.542 713 HG LEU 92 HG LEU 92 -13.205 -3.762 -9.815 714 HD11 LEU 92 HD11 LEU 92 -12.257 -3.742 -7.653 715 HD12 LEU 92 HD12 LEU 92 -12.607 -5.450 -7.404 716 HD13 LEU 92 HD13 LEU 92 -13.925 -4.282 -7.458 717 HD21 LEU 92 HD21 LEU 92 -11.852 -5.368 -11.005 718 HD22 LEU 92 HD22 LEU 92 -11.661 -6.333 -9.540 719 HD23 LEU 92 HD23 LEU 92 -10.950 -4.721 -9.633 720 H SER 93 HN SER 93 -15.328 -9.215 -8.395 721 HA SER 93 HA SER 93 -18.092 -8.547 -9.031 722 HB2 SER 93 HB2 SER 93 -17.070 -11.271 -8.251 723 HB3 SER 93 HB1 SER 93 -18.470 -10.860 -9.246 724 HG SER 93 HG SER 93 -16.876 -9.953 -10.759 725 H LYS 94 HN LYS 94 -17.492 -7.193 -6.848 726 HA LYS 94 HA LYS 94 -18.907 -8.629 -4.727 727 HB2 LYS 94 HB2 LYS 94 -16.235 -7.264 -4.483 728 HB3 LYS 94 HB1 LYS 94 -17.306 -7.394 -3.096 729 HG2 LYS 94 HG2 LYS 94 -17.187 -9.751 -3.094 730 HG3 LYS 94 HG1 LYS 94 -16.449 -9.787 -4.696 731 HD2 LYS 94 HD2 LYS 94 -14.743 -10.225 -3.065 732 HD3 LYS 94 HD1 LYS 94 -14.467 -8.619 -3.737 733 HE2 LYS 94 HE2 LYS 94 -16.175 -8.323 -1.502 734 HE3 LYS 94 HE1 LYS 94 -14.849 -9.378 -1.017 735 HZ1 LYS 94 HZ1 LYS 94 -13.816 -7.427 -0.656 736 HZ2 LYS 94 HZ2 LYS 94 -14.819 -6.568 -1.714 737 HZ3 LYS 94 HZ3 LYS 94 -13.525 -7.470 -2.333 738 HA PRO 95 HA PRO 95 -21.168 -4.817 -4.725 739 HB2 PRO 95 HB2 PRO 95 -22.665 -5.235 -2.523 740 HB3 PRO 95 HB1 PRO 95 -22.941 -6.118 -4.031 741 HG2 PRO 95 HG2 PRO 95 -21.497 -7.009 -1.575 742 HG3 PRO 95 HG1 PRO 95 -22.643 -7.904 -2.591 743 HD2 PRO 95 HD2 PRO 95 -19.952 -8.216 -2.783 744 HD3 PRO 95 HD1 PRO 95 -21.058 -8.436 -4.155 745 H MET 96 HN MET 96 -21.133 -2.820 -3.723 746 HA MET 96 HA MET 96 -19.061 -2.467 -1.710 747 HB2 MET 96 HB2 MET 96 -19.050 -0.990 -3.653 748 HB3 MET 96 HB1 MET 96 -20.679 -0.451 -3.280 749 HG2 MET 96 HG2 MET 96 -19.909 0.580 -1.237 750 HG3 MET 96 HG1 MET 96 -18.278 -0.030 -1.521 751 HE1 MET 96 HE1 MET 96 -21.123 2.302 -2.867 752 HE2 MET 96 HE2 MET 96 -20.706 1.389 -4.317 753 HE3 MET 96 HE3 MET 96 -20.331 3.108 -4.222 754 H GLU 97 HN GLU 97 -22.306 -1.069 -2.145 755 HA GLU 97 HA GLU 97 -23.956 -0.525 -0.697 756 HB2 GLU 97 HB2 GLU 97 -23.914 -2.993 -0.340 757 HB3 GLU 97 HB1 GLU 97 -22.840 -2.740 1.029 758 HG2 GLU 97 HG2 GLU 97 -24.508 -1.729 2.302 759 HG3 GLU 97 HG1 GLU 97 -25.515 -1.405 0.891 760 H THR 98 HN THR 98 -23.245 1.520 -0.172 761 HA THR 98 HA THR 98 -22.546 1.881 2.602 762 HB THR 98 HB THR 98 -20.325 1.591 1.495 763 HG1 THR 98 HG1 THR 98 -19.904 2.824 3.173 764 HG21 THR 98 HG21 THR 98 -20.989 4.190 0.109 765 HG22 THR 98 HG22 THR 98 -20.947 2.614 -0.679 766 HG23 THR 98 HG23 THR 98 -19.471 3.294 0.006 767 H LEU 99 HN LEU 99 -22.048 4.467 2.796 768 HA LEU 99 HA LEU 99 -23.057 6.496 2.911 769 HB2 LEU 99 HB2 LEU 99 -23.502 5.895 -0.010 770 HB3 LEU 99 HB1 LEU 99 -23.816 7.457 0.720 771 HG LEU 99 HG LEU 99 -21.102 6.137 0.715 772 HD11 LEU 99 HD11 LEU 99 -21.867 6.625 -1.573 773 HD12 LEU 99 HD12 LEU 99 -20.504 7.630 -1.082 774 HD13 LEU 99 HD13 LEU 99 -22.135 8.306 -1.105 775 HD21 LEU 99 HD21 LEU 99 -21.425 7.765 2.497 776 HD22 LEU 99 HD22 LEU 99 -21.984 8.956 1.323 777 HD23 LEU 99 HD23 LEU 99 -20.315 8.388 1.276 778 H ILE 100 HN ILE 100 -24.658 4.804 4.078 779 HA ILE 100 HA ILE 100 -27.345 5.393 3.015 780 HB ILE 100 HB ILE 100 -28.130 3.415 4.345 781 HG12 ILE 100 HG12 ILE 100 -25.195 2.693 4.454 782 HG13 ILE 100 HG11 ILE 100 -26.086 3.351 5.822 783 HG21 ILE 100 HG21 ILE 100 -26.123 2.884 2.159 784 HG22 ILE 100 HG22 ILE 100 -27.828 3.285 1.942 785 HG23 ILE 100 HG23 ILE 100 -27.370 1.759 2.702 786 HD11 ILE 100 HD11 ILE 100 -25.884 0.943 5.974 787 HD12 ILE 100 HD12 ILE 100 -26.675 0.762 4.408 788 HD13 ILE 100 HD13 ILE 100 -27.572 1.419 5.780 789 H THR 101 HN THR 101 -25.306 6.593 5.109 790 HA THR 101 HA THR 101 -27.348 7.044 7.181 791 HB THR 101 HB THR 101 -24.536 7.444 7.984 792 HG1 THR 101 HG1 THR 101 -25.548 4.785 7.722 793 HG21 THR 101 HG21 THR 101 -25.349 6.349 10.033 794 HG22 THR 101 HG22 THR 101 -26.888 6.015 9.238 795 HG23 THR 101 HG23 THR 101 -26.398 7.680 9.548 796 H THR 102 HN THR 102 -27.935 9.094 7.438 797 HA THR 102 HA THR 102 -26.587 11.185 5.962 798 HB THR 102 HB THR 102 -28.747 12.051 7.721 799 HG1 THR 102 HG1 THR 102 -29.521 10.194 5.719 800 HG21 THR 102 HG21 THR 102 -27.948 13.277 5.742 801 HG22 THR 102 HG22 THR 102 -29.663 12.889 5.626 802 HG23 THR 102 HG23 THR 102 -28.484 11.946 4.714 803 H VAL 103 HN VAL 103 -24.603 11.087 7.239 804 HA VAL 103 HA VAL 103 -24.680 11.856 10.011 805 HB VAL 103 HB VAL 103 -22.211 11.929 9.845 806 HG11 VAL 103 HG11 VAL 103 -23.537 9.470 8.718 807 HG12 VAL 103 HG12 VAL 103 -23.282 9.848 10.422 808 HG13 VAL 103 HG13 VAL 103 -21.902 9.524 9.373 809 HG21 VAL 103 HG21 VAL 103 -21.076 11.291 7.812 810 HG22 VAL 103 HG22 VAL 103 -22.094 12.695 7.490 811 HG23 VAL 103 HG23 VAL 103 -22.615 11.090 6.975 812 H ASP 104 HN ASP 104 -24.930 13.564 7.136 813 HA ASP 104 HA ASP 104 -23.549 15.932 8.066 814 HB2 ASP 104 HB2 ASP 104 -24.299 16.958 5.952 815 HB3 ASP 104 HB1 ASP 104 -23.468 15.433 5.676 816 HHB HEM 400 HB HEM 400 11.955 4.580 -1.926 817 HHC HEM 400 HC HEM 400 5.666 4.408 -2.633 818 HHD HEM 400 HD HEM 400 5.712 10.462 -4.494 819 HMA HEM 400 HMA1 HEM 400 14.143 5.183 -2.845 820 HMAA HEM 400 HMA2 HEM 400 14.159 5.892 -1.236 821 HMAB HEM 400 HMA3 HEM 400 15.087 6.645 -2.526 822 HAA HEM 400 HAA1 HEM 400 15.078 8.605 -2.885 823 HAAA HEM 400 HAA2 HEM 400 14.059 10.037 -2.837 824 HBA HEM 400 HBA1 HEM 400 14.075 10.280 -5.096 825 HBAA HEM 400 HBA2 HEM 400 14.008 8.542 -5.387 826 HMB HEM 400 HMB1 HEM 400 10.160 1.537 -2.080 827 HMBA HEM 400 HMB2 HEM 400 10.149 2.179 -0.430 828 HMBB HEM 400 HMB3 HEM 400 11.390 2.682 -1.582 829 HAB HEM 400 HAB HEM 400 7.142 1.652 -2.678 830 HBB HEM 400 HBB1 HEM 400 6.693 2.713 0.226 831 HBBA HEM 400 HBB2 HEM 400 5.962 1.145 -0.609 832 HMC HEM 400 HMC1 HEM 400 2.600 6.442 -3.101 833 HMCA HEM 400 HMC2 HEM 400 3.652 5.110 -2.614 834 HMCB HEM 400 HMC3 HEM 400 3.295 5.396 -4.318 835 HAC HEM 400 HAC HEM 400 3.526 9.445 -5.067 836 HBC HEM 400 HBC1 HEM 400 2.274 8.349 -2.415 837 HBCA HEM 400 HBC2 HEM 400 1.512 9.565 -3.692 838 HMD HEM 400 HMD1 HEM 400 6.983 13.130 -4.193 839 HMDA HEM 400 HMD2 HEM 400 6.490 12.212 -5.615 840 HMDB HEM 400 HMD3 HEM 400 7.894 13.282 -5.682 841 HAD HEM 400 HAD1 HEM 400 9.896 13.486 -5.098 842 HADA HEM 400 HAD2 HEM 400 11.143 12.790 -4.078 843 HBD HEM 400 HBD1 HEM 400 10.670 12.129 -6.998 844 HBDA HEM 400 HBD2 HEM 400 11.907 11.394 -5.978 845 HHA HEM 400 HA HEM 400 12.020 10.549 -3.994 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 19.064 -15.429 16.843 2 H2 MET 1 HT2 MET 1 20.293 -15.411 17.999 3 H3 MET 1 HT3 MET 1 20.294 -14.274 16.754 4 HA MET 1 HA MET 1 18.327 -14.499 18.946 5 HB2 MET 1 HB2 MET 1 20.388 -12.374 18.297 6 HB3 MET 1 HB1 MET 1 19.180 -12.244 19.567 7 HG2 MET 1 HG2 MET 1 20.180 -14.364 20.534 8 HG3 MET 1 HG1 MET 1 21.513 -14.123 19.409 9 HE1 MET 1 HE1 MET 1 19.324 -11.689 21.612 10 HE2 MET 1 HE2 MET 1 20.442 -11.343 22.933 11 HE3 MET 1 HE3 MET 1 19.800 -12.974 22.723 12 H ALA 2 HN ALA 2 18.244 -11.417 18.325 13 HA ALA 2 HA ALA 2 15.939 -11.639 16.608 14 HB1 ALA 2 HB1 ALA 2 15.885 -10.126 18.514 15 HB2 ALA 2 HB2 ALA 2 15.661 -9.243 17.006 16 HB3 ALA 2 HB3 ALA 2 17.220 -9.199 17.833 17 H ALA 3 HN ALA 3 17.124 -12.445 14.751 18 HA ALA 3 HA ALA 3 17.847 -10.280 12.965 19 HB1 ALA 3 HB1 ALA 3 20.009 -10.789 13.980 20 HB2 ALA 3 HB2 ALA 3 19.987 -11.288 12.290 21 HB3 ALA 3 HB3 ALA 3 19.820 -12.492 13.565 22 H GLN 4 HN GLN 4 15.608 -11.630 12.758 23 HA GLN 4 HA GLN 4 15.982 -13.951 11.028 24 HB2 GLN 4 HB2 GLN 4 13.535 -14.184 11.170 25 HB3 GLN 4 HB1 GLN 4 14.283 -14.126 12.761 26 HG2 GLN 4 HG2 GLN 4 13.517 -11.945 13.164 27 HG3 GLN 4 HG1 GLN 4 13.114 -11.687 11.467 28 HE21 GLN 4 HE21 GLN 4 11.016 -11.091 12.022 29 HE22 GLN 4 HE22 GLN 4 9.829 -12.251 12.509 30 H SER 5 HN SER 5 14.746 -14.086 9.011 31 HA SER 5 HA SER 5 14.044 -11.557 7.761 32 HB2 SER 5 HB2 SER 5 16.070 -13.429 6.511 33 HB3 SER 5 HB1 SER 5 15.492 -11.900 5.844 34 HG SER 5 HG SER 5 16.371 -11.383 8.275 35 H ASP 6 HN ASP 6 12.073 -11.912 7.026 36 HA ASP 6 HA ASP 6 11.467 -14.524 5.796 37 HB2 ASP 6 HB2 ASP 6 10.255 -14.190 7.920 38 HB3 ASP 6 HB1 ASP 6 9.588 -12.683 7.302 39 H LYS 7 HN LYS 7 10.062 -14.503 3.981 40 HA LYS 7 HA LYS 7 9.443 -11.913 2.783 41 HB2 LYS 7 HB2 LYS 7 11.228 -14.006 1.552 42 HB3 LYS 7 HB1 LYS 7 10.351 -12.850 0.563 43 HG2 LYS 7 HG2 LYS 7 12.181 -11.980 2.776 44 HG3 LYS 7 HG1 LYS 7 12.762 -12.301 1.142 45 HD2 LYS 7 HD2 LYS 7 11.640 -10.499 0.245 46 HD3 LYS 7 HD1 LYS 7 10.431 -10.474 1.531 47 HE2 LYS 7 HE2 LYS 7 13.314 -9.836 2.068 48 HE3 LYS 7 HE1 LYS 7 12.196 -8.606 1.485 49 HZ1 LYS 7 HZ1 LYS 7 11.717 -10.231 3.926 50 HZ2 LYS 7 HZ2 LYS 7 10.857 -8.867 3.413 51 HZ3 LYS 7 HZ3 LYS 7 12.456 -8.706 3.945 52 H ASP 8 HN ASP 8 7.689 -13.789 3.944 53 HA ASP 8 HA ASP 8 6.571 -15.400 1.823 54 HB2 ASP 8 HB2 ASP 8 6.529 -16.008 4.303 55 HB3 ASP 8 HB1 ASP 8 5.251 -14.806 4.467 56 H VAL 9 HN VAL 9 4.504 -15.150 0.916 57 HA VAL 9 HA VAL 9 3.656 -12.344 0.768 58 HB VAL 9 HB VAL 9 4.236 -13.073 -1.390 59 HG11 VAL 9 HG11 VAL 9 2.660 -15.584 -0.868 60 HG12 VAL 9 HG12 VAL 9 4.407 -15.442 -1.033 61 HG13 VAL 9 HG13 VAL 9 3.365 -15.143 -2.421 62 HG21 VAL 9 HG21 VAL 9 2.200 -11.871 -1.504 63 HG22 VAL 9 HG22 VAL 9 1.259 -13.290 -1.051 64 HG23 VAL 9 HG23 VAL 9 2.061 -13.227 -2.620 65 H LYS 10 HN LYS 10 1.958 -11.853 1.967 66 HA LYS 10 HA LYS 10 -0.055 -13.932 2.476 67 HB2 LYS 10 HB2 LYS 10 1.117 -12.676 4.383 68 HB3 LYS 10 HB1 LYS 10 0.166 -11.281 3.892 69 HG2 LYS 10 HG2 LYS 10 -1.884 -12.704 4.211 70 HG3 LYS 10 HG1 LYS 10 -0.833 -13.907 4.954 71 HD2 LYS 10 HD2 LYS 10 -0.054 -11.927 6.446 72 HD3 LYS 10 HD1 LYS 10 -1.555 -11.167 5.916 73 HE2 LYS 10 HE2 LYS 10 -1.233 -13.756 7.418 74 HE3 LYS 10 HE1 LYS 10 -1.977 -12.266 7.990 75 HZ1 LYS 10 HZ1 LYS 10 -3.014 -14.064 5.871 76 HZ2 LYS 10 HZ2 LYS 10 -3.692 -12.567 6.263 77 HZ3 LYS 10 HZ3 LYS 10 -3.676 -13.810 7.405 78 H TYR 11 HN TYR 11 -1.925 -13.824 1.399 79 HA TYR 11 HA TYR 11 -2.505 -11.557 -0.263 80 HB2 TYR 11 HB2 TYR 11 -3.838 -14.202 0.234 81 HB3 TYR 11 HB1 TYR 11 -4.689 -12.933 -0.644 82 HD1 TYR 11 HD1 TYR 11 -3.104 -11.781 -2.522 83 HD2 TYR 11 HD2 TYR 11 -2.756 -15.760 -1.070 84 HE1 TYR 11 HE1 TYR 11 -1.954 -12.429 -4.597 85 HE2 TYR 11 HE2 TYR 11 -1.603 -16.421 -3.136 86 HH TYR 11 HH TYR 11 -0.332 -14.224 -5.319 87 H TYR 12 HN TYR 12 -3.733 -9.873 0.176 88 HA TYR 12 HA TYR 12 -5.370 -9.947 2.627 89 HB2 TYR 12 HB2 TYR 12 -3.681 -7.784 1.415 90 HB3 TYR 12 HB1 TYR 12 -5.060 -7.356 2.418 91 HD1 TYR 12 HD2 TYR 12 -5.118 -8.110 4.794 92 HD2 TYR 12 HD1 TYR 12 -1.652 -8.546 2.375 93 HE1 TYR 12 HE2 TYR 12 -3.758 -8.405 6.817 94 HE2 TYR 12 HE1 TYR 12 -0.276 -8.835 4.393 95 HH TYR 12 HH TYR 12 -1.670 -9.299 7.514 96 H THR 13 HN THR 13 -7.375 -8.858 2.613 97 HA THR 13 HA THR 13 -8.708 -8.884 0.054 98 HB THR 13 HB THR 13 -10.364 -7.805 2.122 99 HG1 THR 13 HG1 THR 13 -9.814 -8.922 3.836 100 HG21 THR 13 HG21 THR 13 -10.324 -10.590 0.944 101 HG22 THR 13 HG22 THR 13 -11.073 -9.188 0.182 102 HG23 THR 13 HG23 THR 13 -11.692 -9.787 1.720 103 H LEU 14 HN LEU 14 -9.875 -7.070 -0.806 104 HA LEU 14 HA LEU 14 -8.419 -4.680 -0.874 105 HB2 LEU 14 HB2 LEU 14 -10.052 -5.575 -2.594 106 HB3 LEU 14 HB1 LEU 14 -11.340 -4.969 -1.571 107 HG LEU 14 HG LEU 14 -10.472 -2.677 -1.841 108 HD11 LEU 14 HD11 LEU 14 -8.467 -3.992 -3.669 109 HD12 LEU 14 HD12 LEU 14 -8.131 -3.127 -2.171 110 HD13 LEU 14 HD13 LEU 14 -8.753 -2.256 -3.570 111 HD21 LEU 14 HD21 LEU 14 -12.196 -3.471 -3.349 112 HD22 LEU 14 HD22 LEU 14 -10.974 -4.149 -4.423 113 HD23 LEU 14 HD23 LEU 14 -11.083 -2.402 -4.205 114 H GLU 15 HN GLU 15 -11.422 -5.486 0.837 115 HA GLU 15 HA GLU 15 -11.727 -2.896 1.998 116 HB2 GLU 15 HB2 GLU 15 -13.398 -4.040 3.469 117 HB3 GLU 15 HB1 GLU 15 -13.674 -4.260 1.748 118 HG2 GLU 15 HG2 GLU 15 -12.096 -6.325 3.174 119 HG3 GLU 15 HG1 GLU 15 -13.832 -6.256 3.468 120 H GLU 16 HN GLU 16 -9.663 -5.475 2.696 121 HA GLU 16 HA GLU 16 -9.445 -5.006 5.532 122 HB2 GLU 16 HB2 GLU 16 -9.047 -7.230 4.664 123 HB3 GLU 16 HB1 GLU 16 -7.778 -6.636 3.609 124 HG2 GLU 16 HG2 GLU 16 -6.900 -7.805 5.564 125 HG3 GLU 16 HG1 GLU 16 -6.381 -6.123 5.505 126 H ILE 17 HN ILE 17 -7.401 -4.424 2.683 127 HA ILE 17 HA ILE 17 -5.444 -2.984 4.191 128 HB ILE 17 HB ILE 17 -4.503 -2.361 1.956 129 HG12 ILE 17 HG12 ILE 17 -5.601 -4.098 0.181 130 HG13 ILE 17 HG11 ILE 17 -7.036 -3.613 1.078 131 HG21 ILE 17 HG21 ILE 17 -3.672 -4.578 1.483 132 HG22 ILE 17 HG22 ILE 17 -5.010 -5.298 2.371 133 HG23 ILE 17 HG23 ILE 17 -3.801 -4.347 3.225 134 HD11 ILE 17 HD11 ILE 17 -6.649 -2.256 -0.931 135 HD12 ILE 17 HD12 ILE 17 -5.113 -1.716 -0.250 136 HD13 ILE 17 HD13 ILE 17 -6.627 -1.297 0.551 137 H LYS 18 HN LYS 18 -8.280 -2.113 2.330 138 HA LYS 18 HA LYS 18 -7.661 0.658 2.146 139 HB2 LYS 18 HB2 LYS 18 -9.467 0.744 0.826 140 HB3 LYS 18 HB1 LYS 18 -9.527 -1.002 0.994 141 HG2 LYS 18 HG2 LYS 18 -11.589 -0.754 1.767 142 HG3 LYS 18 HG1 LYS 18 -10.882 -0.051 3.225 143 HD2 LYS 18 HD2 LYS 18 -12.543 1.464 2.380 144 HD3 LYS 18 HD1 LYS 18 -10.952 2.173 2.102 145 HE2 LYS 18 HE2 LYS 18 -11.100 1.103 -0.226 146 HE3 LYS 18 HE1 LYS 18 -12.815 0.906 0.121 147 HZ1 LYS 18 HZ1 LYS 18 -11.315 3.465 0.068 148 HZ2 LYS 18 HZ2 LYS 18 -12.941 3.314 0.500 149 HZ3 LYS 18 HZ3 LYS 18 -12.446 2.941 -1.074 150 H LYS 19 HN LYS 19 -8.677 -1.283 4.711 151 HA LYS 19 HA LYS 19 -9.668 1.059 6.194 152 HB2 LYS 19 HB2 LYS 19 -11.139 -1.044 5.893 153 HB3 LYS 19 HB1 LYS 19 -10.054 -1.805 7.040 154 HG2 LYS 19 HG2 LYS 19 -12.100 -0.945 8.091 155 HG3 LYS 19 HG1 LYS 19 -10.638 -0.209 8.743 156 HD2 LYS 19 HD2 LYS 19 -12.432 1.435 8.387 157 HD3 LYS 19 HD1 LYS 19 -11.005 1.786 7.413 158 HE2 LYS 19 HE2 LYS 19 -12.957 2.112 6.054 159 HE3 LYS 19 HE1 LYS 19 -12.128 0.662 5.492 160 HZ1 LYS 19 HZ1 LYS 19 -14.543 0.386 5.647 161 HZ2 LYS 19 HZ2 LYS 19 -14.473 0.669 7.313 162 HZ3 LYS 19 HZ3 LYS 19 -13.716 -0.693 6.655 163 H HIS 20 HN HIS 20 -6.945 -0.493 5.642 164 HA HIS 20 HA HIS 20 -6.008 -0.860 8.364 165 HB2 HIS 20 HB2 HIS 20 -5.344 -1.963 5.882 166 HB3 HIS 20 HB1 HIS 20 -3.957 -0.966 6.309 167 HD1 HIS 20 HD1 HIS 20 -5.942 -3.941 7.528 168 HD2 HIS 20 HD2 HIS 20 -2.353 -1.983 8.295 169 HE1 HIS 20 HE1 HIS 20 -4.668 -5.444 9.085 170 HE2 HIS 20 HE2 HIS 20 -2.596 -4.146 9.694 171 H ASN 21 HN ASN 21 -6.169 1.587 6.025 172 HA ASN 21 HA ASN 21 -3.815 3.043 6.623 173 HB2 ASN 21 HB2 ASN 21 -5.217 4.992 5.613 174 HB3 ASN 21 HB1 ASN 21 -4.746 3.651 4.578 175 HD21 ASN 21 HD21 ASN 21 -6.438 4.147 3.161 176 HD22 ASN 21 HD22 ASN 21 -8.077 3.723 3.534 177 H HIS 22 HN HIS 22 -3.417 3.629 8.693 178 HA HIS 22 HA HIS 22 -5.366 5.419 9.934 179 HB2 HIS 22 HB2 HIS 22 -4.181 2.994 11.286 180 HB3 HIS 22 HB1 HIS 22 -4.937 4.312 12.171 181 HD1 HIS 22 HD1 HIS 22 -7.533 4.802 11.172 182 HD2 HIS 22 HD2 HIS 22 -5.894 1.002 10.785 183 HE1 HIS 22 HE1 HIS 22 -9.483 3.259 10.793 184 HE2 HIS 22 HE2 HIS 22 -8.439 1.010 10.327 185 H SER 23 HN SER 23 -2.506 4.031 11.470 186 HA SER 23 HA SER 23 -1.046 6.513 10.951 187 HB2 SER 23 HB2 SER 23 -0.393 6.212 13.536 188 HB3 SER 23 HB1 SER 23 -1.757 7.198 13.007 189 HG SER 23 HG SER 23 -3.114 5.775 13.799 190 H LYS 24 HN LYS 24 -0.786 3.422 12.729 191 HA LYS 24 HA LYS 24 1.966 3.185 11.699 192 HB2 LYS 24 HB2 LYS 24 2.259 1.564 13.647 193 HB3 LYS 24 HB1 LYS 24 2.111 3.268 14.049 194 HG2 LYS 24 HG2 LYS 24 -0.383 1.685 14.028 195 HG3 LYS 24 HG1 LYS 24 0.770 1.349 15.320 196 HD2 LYS 24 HD2 LYS 24 0.729 3.628 16.044 197 HD3 LYS 24 HD1 LYS 24 -0.212 4.114 14.634 198 HE2 LYS 24 HE2 LYS 24 -2.098 2.793 15.417 199 HE3 LYS 24 HE1 LYS 24 -1.154 2.238 16.795 200 HZ1 LYS 24 HZ1 LYS 24 -0.989 4.559 17.522 201 HZ2 LYS 24 HZ2 LYS 24 -2.590 4.016 17.466 202 HZ3 LYS 24 HZ3 LYS 24 -1.997 5.027 16.248 203 H SER 25 HN SER 25 -0.400 2.442 10.267 204 HA SER 25 HA SER 25 0.339 -0.286 9.633 205 HB2 SER 25 HB2 SER 25 -2.585 0.300 10.097 206 HB3 SER 25 HB1 SER 25 -1.785 -1.263 9.946 207 HG SER 25 HG SER 25 -0.612 -0.425 11.962 208 H THR 26 HN THR 26 0.419 2.431 8.497 209 HA THR 26 HA THR 26 -1.500 2.635 6.396 210 HB THR 26 HB THR 26 1.158 4.044 6.544 211 HG1 THR 26 HG1 THR 26 0.461 4.842 8.379 212 HG21 THR 26 HG21 THR 26 -0.025 5.846 5.416 213 HG22 THR 26 HG22 THR 26 -1.535 4.938 5.503 214 HG23 THR 26 HG23 THR 26 -0.210 4.350 4.498 215 H TRP 27 HN TRP 27 -1.522 1.294 4.709 216 HA TRP 27 HA TRP 27 1.053 0.478 3.536 217 HB2 TRP 27 HB2 TRP 27 -1.565 -1.044 3.603 218 HB3 TRP 27 HB1 TRP 27 -0.138 -1.552 2.710 219 HD1 TRP 27 HD1 TRP 27 1.581 -0.430 5.519 220 HE1 TRP 27 HE1 TRP 27 1.854 -2.198 7.364 221 HE3 TRP 27 HE3 TRP 27 -2.051 -3.704 4.038 222 HZ2 TRP 27 HZ2 TRP 27 0.681 -4.658 8.098 223 HZ3 TRP 27 HZ3 TRP 27 -2.413 -5.742 5.367 224 HH2 TRP 27 HH2 TRP 27 -1.073 -6.209 7.354 225 H LEU 28 HN LEU 28 1.163 0.365 1.242 226 HA LEU 28 HA LEU 28 -0.997 1.784 -0.178 227 HB2 LEU 28 HB2 LEU 28 1.985 2.150 -0.500 228 HB3 LEU 28 HB1 LEU 28 0.805 2.759 -1.643 229 HG LEU 28 HG LEU 28 -0.096 3.819 0.721 230 HD11 LEU 28 HD11 LEU 28 1.877 3.041 1.914 231 HD12 LEU 28 HD12 LEU 28 1.845 4.803 1.820 232 HD13 LEU 28 HD13 LEU 28 2.916 3.881 0.760 233 HD21 LEU 28 HD21 LEU 28 0.794 5.925 -0.124 234 HD22 LEU 28 HD22 LEU 28 0.097 4.965 -1.427 235 HD23 LEU 28 HD23 LEU 28 1.847 5.046 -1.233 236 H ILE 29 HN ILE 29 -1.293 1.198 -2.382 237 HA ILE 29 HA ILE 29 -0.254 -1.478 -3.004 238 HB ILE 29 HB ILE 29 -2.650 -0.017 -4.131 239 HG12 ILE 29 HG12 ILE 29 -2.470 -2.492 -2.403 240 HG13 ILE 29 HG11 ILE 29 -2.944 -0.893 -1.839 241 HG21 ILE 29 HG21 ILE 29 -3.141 -2.136 -5.311 242 HG22 ILE 29 HG22 ILE 29 -1.579 -2.761 -4.786 243 HG23 ILE 29 HG23 ILE 29 -1.653 -1.373 -5.869 244 HD11 ILE 29 HD11 ILE 29 -4.417 -2.472 -3.933 245 HD12 ILE 29 HD12 ILE 29 -4.920 -0.947 -3.205 246 HD13 ILE 29 HD13 ILE 29 -4.848 -2.410 -2.225 247 H LEU 30 HN LEU 30 1.309 -1.633 -4.428 248 HA LEU 30 HA LEU 30 1.440 0.310 -6.639 249 HB2 LEU 30 HB2 LEU 30 3.786 -0.758 -5.061 250 HB3 LEU 30 HB1 LEU 30 3.904 0.239 -6.496 251 HG LEU 30 HG LEU 30 2.551 1.179 -3.973 252 HD11 LEU 30 HD11 LEU 30 4.629 2.381 -3.483 253 HD12 LEU 30 HD12 LEU 30 5.413 1.566 -4.835 254 HD13 LEU 30 HD13 LEU 30 4.855 0.633 -3.449 255 HD21 LEU 30 HD21 LEU 30 3.660 2.642 -6.369 256 HD22 LEU 30 HD22 LEU 30 2.932 3.387 -4.944 257 HD23 LEU 30 HD23 LEU 30 1.952 2.379 -6.007 258 H HIS 31 HN HIS 31 1.140 -0.768 -8.458 259 HA HIS 31 HA HIS 31 1.293 -2.337 -10.097 260 HB2 HIS 31 HB2 HIS 31 3.605 -3.465 -8.493 261 HB3 HIS 31 HB1 HIS 31 3.211 -3.866 -10.161 262 HD1 HIS 31 HD1 HIS 31 3.356 -1.713 -11.853 263 HD2 HIS 31 HD2 HIS 31 5.372 -1.433 -8.232 264 HE1 HIS 31 HE1 HIS 31 5.026 0.137 -12.151 265 HE2 HIS 31 HE2 HIS 31 6.389 0.118 -10.035 266 H HIS 32 HN HIS 32 -0.502 -2.679 -7.995 267 HA HIS 32 HA HIS 32 -2.039 -4.163 -7.238 268 HB2 HIS 32 HB2 HIS 32 -0.600 -6.054 -9.102 269 HB3 HIS 32 HB1 HIS 32 -2.059 -6.484 -8.216 270 HD1 HIS 32 HD1 HIS 32 -1.090 -5.437 -11.431 271 HD2 HIS 32 HD2 HIS 32 -4.187 -4.360 -8.875 272 HE1 HIS 32 HE1 HIS 32 -2.843 -4.386 -12.897 273 HE2 HIS 32 HE2 HIS 32 -4.708 -3.744 -11.332 274 H LYS 33 HN LYS 33 0.838 -3.947 -6.160 275 HA LYS 33 HA LYS 33 0.707 -6.312 -4.411 276 HB2 LYS 33 HB2 LYS 33 3.141 -4.707 -5.228 277 HB3 LYS 33 HB1 LYS 33 3.146 -6.080 -4.132 278 HG2 LYS 33 HG2 LYS 33 2.619 -7.593 -5.860 279 HG3 LYS 33 HG1 LYS 33 2.178 -6.292 -6.965 280 HD2 LYS 33 HD2 LYS 33 4.327 -7.135 -7.616 281 HD3 LYS 33 HD1 LYS 33 4.552 -5.530 -6.914 282 HE2 LYS 33 HE2 LYS 33 5.488 -6.383 -4.961 283 HE3 LYS 33 HE1 LYS 33 4.817 -7.993 -5.228 284 HZ1 LYS 33 HZ1 LYS 33 6.871 -6.801 -7.003 285 HZ2 LYS 33 HZ2 LYS 33 6.383 -8.418 -6.919 286 HZ3 LYS 33 HZ3 LYS 33 7.270 -7.735 -5.653 287 H VAL 34 HN VAL 34 0.861 -5.996 -2.210 288 HA VAL 34 HA VAL 34 0.395 -3.247 -1.325 289 HB VAL 34 HB VAL 34 0.181 -5.788 0.307 290 HG11 VAL 34 HG11 VAL 34 -1.161 -4.412 1.822 291 HG12 VAL 34 HG12 VAL 34 -0.883 -3.005 0.792 292 HG13 VAL 34 HG13 VAL 34 0.468 -3.765 1.635 293 HG21 VAL 34 HG21 VAL 34 -2.012 -4.259 -1.091 294 HG22 VAL 34 HG22 VAL 34 -2.217 -5.678 -0.065 295 HG23 VAL 34 HG23 VAL 34 -1.366 -5.816 -1.603 296 H TYR 35 HN TYR 35 1.933 -2.080 -0.399 297 HA TYR 35 HA TYR 35 4.291 -3.485 0.671 298 HB2 TYR 35 HB2 TYR 35 4.064 -0.776 -0.642 299 HB3 TYR 35 HB1 TYR 35 5.513 -1.337 0.185 300 HD1 TYR 35 HD2 TYR 35 6.867 -3.130 -0.767 301 HD2 TYR 35 HD1 TYR 35 3.439 -1.661 -2.803 302 HE1 TYR 35 HE2 TYR 35 7.636 -4.218 -2.831 303 HE2 TYR 35 HE1 TYR 35 4.197 -2.749 -4.874 304 HH TYR 35 HH TYR 35 6.466 -3.517 -5.835 305 H ASP 36 HN ASP 36 4.804 -3.217 2.714 306 HA ASP 36 HA ASP 36 3.235 -1.365 4.342 307 HB2 ASP 36 HB2 ASP 36 3.199 -3.501 5.319 308 HB3 ASP 36 HB1 ASP 36 4.895 -3.796 4.955 309 H LEU 37 HN LEU 37 4.074 0.588 4.402 310 HA LEU 37 HA LEU 37 6.855 0.880 5.253 311 HB2 LEU 37 HB2 LEU 37 7.227 2.693 3.651 312 HB3 LEU 37 HB1 LEU 37 6.916 1.167 2.846 313 HG LEU 37 HG LEU 37 4.522 2.820 3.237 314 HD11 LEU 37 HD11 LEU 37 5.067 4.406 1.472 315 HD12 LEU 37 HD12 LEU 37 6.705 3.757 1.377 316 HD13 LEU 37 HD13 LEU 37 6.167 4.589 2.836 317 HD21 LEU 37 HD21 LEU 37 4.135 2.152 0.920 318 HD22 LEU 37 HD22 LEU 37 4.551 0.763 1.923 319 HD23 LEU 37 HD23 LEU 37 5.756 1.463 0.844 320 H THR 38 HN THR 38 4.400 1.047 6.674 321 HA THR 38 HA THR 38 3.465 3.678 6.973 322 HB THR 38 HB THR 38 2.356 1.552 7.807 323 HG1 THR 38 HG1 THR 38 2.598 3.843 9.488 324 HG21 THR 38 HG21 THR 38 4.324 1.960 10.055 325 HG22 THR 38 HG22 THR 38 4.128 0.530 9.047 326 HG23 THR 38 HG23 THR 38 2.865 0.979 10.190 327 H LYS 39 HN LYS 39 6.361 2.171 8.052 328 HA LYS 39 HA LYS 39 6.855 4.295 10.005 329 HB2 LYS 39 HB2 LYS 39 8.400 1.771 9.381 330 HB3 LYS 39 HB1 LYS 39 8.859 2.944 10.608 331 HG2 LYS 39 HG2 LYS 39 6.309 1.343 10.579 332 HG3 LYS 39 HG1 LYS 39 7.724 1.013 11.576 333 HD2 LYS 39 HD2 LYS 39 7.448 3.116 12.736 334 HD3 LYS 39 HD1 LYS 39 6.122 3.569 11.667 335 HE2 LYS 39 HE2 LYS 39 4.796 1.703 12.512 336 HE3 LYS 39 HE1 LYS 39 6.123 1.226 13.565 337 HZ1 LYS 39 HZ1 LYS 39 4.432 2.502 14.744 338 HZ2 LYS 39 HZ2 LYS 39 4.680 3.815 13.710 339 HZ3 LYS 39 HZ3 LYS 39 5.916 3.306 14.742 340 H PHE 40 HN PHE 40 7.023 4.140 6.848 341 HA PHE 40 HA PHE 40 9.627 5.513 6.670 342 HB2 PHE 40 HB2 PHE 40 9.229 3.324 5.345 343 HB3 PHE 40 HB1 PHE 40 8.186 4.303 4.321 344 HD1 PHE 40 HD1 PHE 40 11.633 4.315 5.740 345 HD2 PHE 40 HD2 PHE 40 9.103 5.316 2.467 346 HE1 PHE 40 HE1 PHE 40 13.598 5.039 4.447 347 HE2 PHE 40 HE2 PHE 40 11.061 6.040 1.167 348 HZ PHE 40 HZ PHE 40 13.311 5.904 2.157 349 H LEU 41 HN LEU 41 6.400 6.067 6.832 350 HA LEU 41 HA LEU 41 5.793 7.825 4.747 351 HB2 LEU 41 HB2 LEU 41 4.844 8.075 7.600 352 HB3 LEU 41 HB1 LEU 41 4.050 8.707 6.173 353 HG LEU 41 HG LEU 41 4.391 5.778 6.831 354 HD11 LEU 41 HD11 LEU 41 2.825 6.949 8.319 355 HD12 LEU 41 HD12 LEU 41 2.005 5.801 7.260 356 HD13 LEU 41 HD13 LEU 41 1.938 7.529 6.909 357 HD21 LEU 41 HD21 LEU 41 2.989 7.185 4.565 358 HD22 LEU 41 HD22 LEU 41 2.776 5.480 4.958 359 HD23 LEU 41 HD23 LEU 41 4.355 6.077 4.451 360 H GLU 42 HN GLU 42 6.979 8.599 8.008 361 HA GLU 42 HA GLU 42 7.366 11.369 7.428 362 HB2 GLU 42 HB2 GLU 42 8.576 11.340 9.640 363 HB3 GLU 42 HB1 GLU 42 6.918 10.754 9.688 364 HG2 GLU 42 HG2 GLU 42 7.525 8.666 10.237 365 HG3 GLU 42 HG1 GLU 42 8.960 8.699 9.217 366 H GLU 43 HN GLU 43 9.192 8.549 6.850 367 HA GLU 43 HA GLU 43 11.717 10.010 6.678 368 HB2 GLU 43 HB2 GLU 43 11.446 7.088 6.067 369 HB3 GLU 43 HB1 GLU 43 12.811 7.959 6.754 370 HG2 GLU 43 HG2 GLU 43 10.968 8.336 8.686 371 HG3 GLU 43 HG1 GLU 43 10.472 6.761 8.071 372 H HIS 44 HN HIS 44 9.264 10.037 4.818 373 HA HIS 44 HA HIS 44 10.497 9.198 2.315 374 HB2 HIS 44 HB2 HIS 44 8.137 8.591 2.766 375 HB3 HIS 44 HB1 HIS 44 7.729 10.301 2.855 376 HD1 HIS 44 HD1 HIS 44 6.861 11.257 0.727 377 HD2 HIS 44 HD2 HIS 44 9.231 7.896 0.093 378 HE1 HIS 44 HE1 HIS 44 6.778 10.786 -1.757 379 HA PRO 45 HA PRO 45 11.935 13.420 1.844 380 HB2 PRO 45 HB2 PRO 45 13.071 13.054 -0.605 381 HB3 PRO 45 HB1 PRO 45 13.841 12.548 0.905 382 HG2 PRO 45 HG2 PRO 45 12.313 10.911 -1.066 383 HG3 PRO 45 HG1 PRO 45 13.810 10.518 -0.199 384 HD2 PRO 45 HD2 PRO 45 11.403 9.565 0.559 385 HD3 PRO 45 HD1 PRO 45 12.700 9.923 1.720 386 H GLY 46 HN GLY 46 9.937 14.445 1.647 387 HA2 GLY 46 HA2 GLY 46 9.243 15.910 -0.426 388 HA3 GLY 46 HA1 GLY 46 8.573 14.365 -0.937 389 H GLY 47 HN GLY 47 8.082 13.709 1.967 390 HA2 GLY 47 HA2 GLY 47 6.642 14.802 3.660 391 HA3 GLY 47 HA1 GLY 47 5.711 15.429 2.311 392 H GLU 48 HN GLU 48 4.710 13.897 4.492 393 HA GLU 48 HA GLU 48 4.161 11.260 3.385 394 HB2 GLU 48 HB2 GLU 48 2.929 10.924 5.537 395 HB3 GLU 48 HB1 GLU 48 4.633 11.319 5.739 396 HG2 GLU 48 HG2 GLU 48 4.196 13.385 6.615 397 HG3 GLU 48 HG1 GLU 48 2.651 13.533 5.779 398 H GLU 49 HN GLU 49 2.893 14.324 3.161 399 HA GLU 49 HA GLU 49 0.140 14.026 3.342 400 HB2 GLU 49 HB2 GLU 49 1.485 16.152 2.981 401 HB3 GLU 49 HB1 GLU 49 1.515 15.732 1.274 402 HG2 GLU 49 HG2 GLU 49 -0.311 17.059 1.259 403 HG3 GLU 49 HG1 GLU 49 -1.102 15.541 1.685 404 H VAL 50 HN VAL 50 2.294 13.352 0.617 405 HA VAL 50 HA VAL 50 0.145 12.693 -1.165 406 HB VAL 50 HB VAL 50 1.936 11.872 -2.678 407 HG11 VAL 50 HG11 VAL 50 2.911 14.049 -3.119 408 HG12 VAL 50 HG12 VAL 50 2.474 14.600 -1.502 409 HG13 VAL 50 HG13 VAL 50 1.213 14.226 -2.676 410 HG21 VAL 50 HG21 VAL 50 4.280 12.232 -2.062 411 HG22 VAL 50 HG22 VAL 50 3.506 11.057 -1.001 412 HG23 VAL 50 HG23 VAL 50 3.780 12.704 -0.440 413 H LEU 51 HN LEU 51 1.808 10.991 1.282 414 HA LEU 51 HA LEU 51 1.289 8.382 0.107 415 HB2 LEU 51 HB2 LEU 51 2.515 9.152 2.751 416 HB3 LEU 51 HB1 LEU 51 2.349 7.507 2.165 417 HG LEU 51 HG LEU 51 3.993 9.661 0.835 418 HD11 LEU 51 HD11 LEU 51 4.783 7.316 2.548 419 HD12 LEU 51 HD12 LEU 51 5.012 9.024 2.911 420 HD13 LEU 51 HD13 LEU 51 5.905 8.277 1.590 421 HD21 LEU 51 HD21 LEU 51 3.661 6.726 0.231 422 HD22 LEU 51 HD22 LEU 51 4.875 7.776 -0.498 423 HD23 LEU 51 HD23 LEU 51 3.161 8.078 -0.785 424 H ARG 52 HN ARG 52 0.134 10.378 2.784 425 HA ARG 52 HA ARG 52 -1.515 8.427 3.970 426 HB2 ARG 52 HB2 ARG 52 -2.650 10.306 5.086 427 HB3 ARG 52 HB1 ARG 52 -0.900 10.437 5.180 428 HG2 ARG 52 HG2 ARG 52 -0.860 12.141 3.520 429 HG3 ARG 52 HG1 ARG 52 -2.568 11.898 3.146 430 HD2 ARG 52 HD2 ARG 52 -2.232 13.887 4.527 431 HD3 ARG 52 HD1 ARG 52 -3.180 12.666 5.373 432 HE ARG 52 HE ARG 52 -0.533 12.261 6.104 433 HH11 ARG 52 HH11 ARG 52 -2.915 14.842 6.361 434 HH12 ARG 52 HH12 ARG 52 -2.251 15.441 7.924 435 HH21 ARG 52 HH21 ARG 52 0.338 12.996 8.058 436 HH22 ARG 52 HH22 ARG 52 -0.435 14.415 8.877 437 H GLU 53 HN GLU 53 -2.045 10.536 1.225 438 HA GLU 53 HA GLU 53 -4.883 10.123 1.187 439 HB2 GLU 53 HB2 GLU 53 -4.777 11.201 -1.054 440 HB3 GLU 53 HB1 GLU 53 -4.062 12.157 0.234 441 HG2 GLU 53 HG2 GLU 53 -1.898 11.786 -0.522 442 HG3 GLU 53 HG1 GLU 53 -2.377 10.396 -1.495 443 H GLN 54 HN GLN 54 -2.111 8.584 -0.279 444 HA GLN 54 HA GLN 54 -3.813 6.948 -1.980 445 HB2 GLN 54 HB2 GLN 54 -0.812 7.064 -1.661 446 HB3 GLN 54 HB1 GLN 54 -1.649 5.998 -2.780 447 HG2 GLN 54 HG2 GLN 54 -1.677 9.004 -2.816 448 HG3 GLN 54 HG1 GLN 54 -0.824 7.948 -3.939 449 HE21 GLN 54 HE21 GLN 54 -2.950 9.994 -4.318 450 HE22 GLN 54 HE22 GLN 54 -4.193 9.174 -5.199 451 H ALA 55 HN ALA 55 -3.040 6.889 1.152 452 HA ALA 55 HA ALA 55 -2.173 4.259 1.650 453 HB1 ALA 55 HB1 ALA 55 -3.832 6.084 3.389 454 HB2 ALA 55 HB2 ALA 55 -2.069 6.036 3.324 455 HB3 ALA 55 HB3 ALA 55 -2.968 4.644 3.928 456 H GLY 56 HN GLY 56 -3.212 2.426 1.234 457 HA2 GLY 56 HA2 GLY 56 -4.965 0.889 1.314 458 HA3 GLY 56 HA1 GLY 56 -6.046 2.185 1.806 459 H GLY 57 HN GLY 57 -4.118 2.899 -0.896 460 HA2 GLY 57 HA2 GLY 57 -6.215 2.055 -2.778 461 HA3 GLY 57 HA1 GLY 57 -5.689 3.732 -2.748 462 H ASP 58 HN ASP 58 -5.391 2.802 -5.098 463 HA ASP 58 HA ASP 58 -2.798 1.494 -5.409 464 HB2 ASP 58 HB2 ASP 58 -4.934 0.898 -6.741 465 HB3 ASP 58 HB1 ASP 58 -4.608 2.368 -7.650 466 H ALA 59 HN ALA 59 -1.047 2.712 -5.525 467 HA ALA 59 HA ALA 59 -1.316 5.451 -6.577 468 HB1 ALA 59 HB1 ALA 59 0.370 6.176 -5.133 469 HB2 ALA 59 HB2 ALA 59 0.931 4.535 -4.818 470 HB3 ALA 59 HB3 ALA 59 -0.603 5.083 -4.149 471 H THR 60 HN THR 60 -0.670 2.754 -7.935 472 HA THR 60 HA THR 60 1.996 2.684 -8.732 473 HB THR 60 HB THR 60 -0.381 1.946 -10.444 474 HG1 THR 60 HG1 THR 60 -0.642 0.787 -8.600 475 HG21 THR 60 HG21 THR 60 2.479 0.974 -10.437 476 HG22 THR 60 HG22 THR 60 1.711 1.958 -11.684 477 HG23 THR 60 HG23 THR 60 1.179 0.297 -11.417 478 H GLU 61 HN GLU 61 -0.717 4.451 -10.189 479 HA GLU 61 HA GLU 61 0.670 5.442 -12.416 480 HB2 GLU 61 HB2 GLU 61 -1.151 7.187 -12.456 481 HB3 GLU 61 HB1 GLU 61 -1.699 5.519 -12.454 482 HG2 GLU 61 HG2 GLU 61 -2.418 5.633 -10.233 483 HG3 GLU 61 HG1 GLU 61 -1.497 7.105 -9.924 484 H ASN 62 HN ASN 62 0.233 6.780 -9.171 485 HA ASN 62 HA ASN 62 1.481 9.273 -9.744 486 HB2 ASN 62 HB2 ASN 62 -0.085 8.475 -7.746 487 HB3 ASN 62 HB1 ASN 62 1.465 8.170 -6.974 488 HD21 ASN 62 HD21 ASN 62 2.855 10.358 -8.227 489 HD22 ASN 62 HD22 ASN 62 2.246 11.813 -7.511 490 H PHE 63 HN PHE 63 2.592 6.146 -8.702 491 HA PHE 63 HA PHE 63 5.141 6.858 -7.735 492 HB2 PHE 63 HB2 PHE 63 3.925 4.661 -7.422 493 HB3 PHE 63 HB1 PHE 63 4.394 4.251 -9.067 494 HD1 PHE 63 HD2 PHE 63 5.643 4.913 -5.663 495 HD2 PHE 63 HD1 PHE 63 6.600 3.532 -9.575 496 HE1 PHE 63 HE2 PHE 63 7.780 4.020 -4.826 497 HE2 PHE 63 HE1 PHE 63 8.733 2.636 -8.743 498 HZ PHE 63 HZ PHE 63 9.327 2.876 -6.369 499 H GLU 64 HN GLU 64 4.125 5.668 -10.941 500 HA GLU 64 HA GLU 64 6.772 6.032 -12.002 501 HB2 GLU 64 HB2 GLU 64 5.624 5.477 -14.207 502 HB3 GLU 64 HB1 GLU 64 5.645 4.232 -12.970 503 HG2 GLU 64 HG2 GLU 64 3.352 4.671 -12.410 504 HG3 GLU 64 HG1 GLU 64 3.316 6.059 -13.499 505 H ASP 65 HN ASP 65 3.959 8.004 -11.712 506 HA ASP 65 HA ASP 65 4.412 9.735 -13.898 507 HB2 ASP 65 HB2 ASP 65 2.284 9.803 -12.726 508 HB3 ASP 65 HB1 ASP 65 3.084 10.288 -11.233 509 H VAL 66 HN VAL 66 5.455 9.853 -10.521 510 HA VAL 66 HA VAL 66 6.937 12.275 -10.832 511 HB VAL 66 HB VAL 66 7.062 10.160 -8.672 512 HG11 VAL 66 HG11 VAL 66 9.146 11.467 -8.813 513 HG12 VAL 66 HG12 VAL 66 8.249 11.791 -7.328 514 HG13 VAL 66 HG13 VAL 66 8.205 12.954 -8.653 515 HG21 VAL 66 HG21 VAL 66 4.896 11.301 -8.865 516 HG22 VAL 66 HG22 VAL 66 5.711 12.860 -8.717 517 HG23 VAL 66 HG23 VAL 66 5.727 11.724 -7.366 518 H GLY 67 HN GLY 67 7.771 8.833 -10.750 519 HA2 GLY 67 HA2 GLY 67 9.520 7.854 -11.989 520 HA3 GLY 67 HA1 GLY 67 10.251 9.446 -12.173 521 H HIS 68 HN HIS 68 10.485 6.533 -10.609 522 HA HIS 68 HA HIS 68 11.984 7.719 -8.372 523 HB2 HIS 68 HB2 HIS 68 10.448 5.143 -8.600 524 HB3 HIS 68 HB1 HIS 68 11.678 5.367 -7.361 525 HD1 HIS 68 HD1 HIS 68 8.399 6.962 -8.488 526 HD2 HIS 68 HD2 HIS 68 10.840 6.632 -5.141 527 HE1 HIS 68 HE1 HIS 68 7.146 8.055 -6.587 528 H SER 69 HN SER 69 13.796 6.301 -7.591 529 HA SER 69 HA SER 69 15.523 5.735 -9.830 530 HB2 SER 69 HB2 SER 69 17.156 5.234 -7.896 531 HB3 SER 69 HB1 SER 69 16.585 6.894 -8.073 532 HG SER 69 HG SER 69 15.936 6.701 -6.080 533 H THR 70 HN THR 70 16.859 3.732 -9.858 534 HA THR 70 HA THR 70 15.217 1.424 -9.827 535 HB THR 70 HB THR 70 17.824 0.492 -9.918 536 HG1 THR 70 HG1 THR 70 18.029 2.633 -11.635 537 HG21 THR 70 HG21 THR 70 16.172 1.518 -12.225 538 HG22 THR 70 HG22 THR 70 15.957 -0.049 -11.447 539 HG23 THR 70 HG23 THR 70 17.455 0.310 -12.306 540 H ASP 71 HN ASP 71 17.224 2.931 -7.469 541 HA ASP 71 HA ASP 71 17.648 0.591 -5.869 542 HB2 ASP 71 HB2 ASP 71 19.160 2.570 -5.815 543 HB3 ASP 71 HB1 ASP 71 17.872 3.498 -5.056 544 H ALA 72 HN ALA 72 15.328 3.225 -5.940 545 HA ALA 72 HA ALA 72 14.090 2.786 -3.470 546 HB1 ALA 72 HB1 ALA 72 12.850 3.844 -6.010 547 HB2 ALA 72 HB2 ALA 72 13.742 4.795 -4.823 548 HB3 ALA 72 HB3 ALA 72 12.212 4.042 -4.378 549 H ARG 73 HN ARG 73 13.329 1.462 -6.685 550 HA ARG 73 HA ARG 73 11.099 -0.050 -5.805 551 HB2 ARG 73 HB2 ARG 73 11.445 -1.304 -7.989 552 HB3 ARG 73 HB1 ARG 73 11.181 0.428 -8.116 553 HG2 ARG 73 HG2 ARG 73 12.980 0.482 -9.407 554 HG3 ARG 73 HG1 ARG 73 13.925 0.203 -7.944 555 HD2 ARG 73 HD2 ARG 73 14.689 -1.494 -9.285 556 HD3 ARG 73 HD1 ARG 73 13.373 -2.312 -8.441 557 HE ARG 73 HE ARG 73 12.562 -1.082 -10.905 558 HH11 ARG 73 HH11 ARG 73 14.021 -3.938 -9.437 559 HH12 ARG 73 HH12 ARG 73 13.537 -5.020 -10.806 560 HH21 ARG 73 HH21 ARG 73 11.936 -2.418 -12.655 561 HH22 ARG 73 HH22 ARG 73 12.364 -4.169 -12.600 562 H GLU 74 HN GLU 74 14.534 -0.695 -5.916 563 HA GLU 74 HA GLU 74 14.288 -3.512 -5.467 564 HB2 GLU 74 HB2 GLU 74 16.607 -1.603 -5.173 565 HB3 GLU 74 HB1 GLU 74 16.737 -3.329 -4.866 566 HG2 GLU 74 HG2 GLU 74 15.953 -2.062 -7.487 567 HG3 GLU 74 HG1 GLU 74 17.528 -2.749 -7.097 568 H LEU 75 HN LEU 75 14.687 -0.668 -3.449 569 HA LEU 75 HA LEU 75 15.116 -2.031 -0.999 570 HB2 LEU 75 HB2 LEU 75 15.677 0.340 -1.335 571 HB3 LEU 75 HB1 LEU 75 13.974 0.719 -1.517 572 HG LEU 75 HG LEU 75 13.674 -0.154 0.856 573 HD11 LEU 75 HD11 LEU 75 15.659 -0.121 2.273 574 HD12 LEU 75 HD12 LEU 75 16.671 0.148 0.854 575 HD13 LEU 75 HD13 LEU 75 15.776 -1.361 1.025 576 HD21 LEU 75 HD21 LEU 75 14.381 1.963 1.842 577 HD22 LEU 75 HD22 LEU 75 13.617 2.217 0.272 578 HD23 LEU 75 HD23 LEU 75 15.373 2.302 0.420 579 H SER 76 HN SER 76 12.313 -1.254 -2.862 580 HA SER 76 HA SER 76 10.378 -1.506 -0.808 581 HB2 SER 76 HB2 SER 76 10.092 -1.847 -3.799 582 HB3 SER 76 HB1 SER 76 8.754 -1.674 -2.662 583 HG SER 76 HG SER 76 10.800 0.238 -3.176 584 H LYS 77 HN LYS 77 12.337 -3.819 -2.265 585 HA LYS 77 HA LYS 77 10.557 -6.018 -2.401 586 HB2 LYS 77 HB2 LYS 77 13.542 -5.760 -2.276 587 HB3 LYS 77 HB1 LYS 77 12.773 -7.341 -2.221 588 HG2 LYS 77 HG2 LYS 77 11.791 -7.007 -4.376 589 HG3 LYS 77 HG1 LYS 77 12.322 -5.325 -4.407 590 HD2 LYS 77 HD2 LYS 77 14.618 -5.984 -4.534 591 HD3 LYS 77 HD1 LYS 77 14.198 -7.678 -4.271 592 HE2 LYS 77 HE2 LYS 77 13.011 -7.730 -6.389 593 HE3 LYS 77 HE1 LYS 77 13.354 -6.022 -6.645 594 HZ1 LYS 77 HZ1 LYS 77 15.532 -7.977 -6.280 595 HZ2 LYS 77 HZ2 LYS 77 15.603 -6.443 -6.986 596 HZ3 LYS 77 HZ3 LYS 77 14.833 -7.719 -7.797 597 H THR 78 HN THR 78 11.876 -4.385 0.273 598 HA THR 78 HA THR 78 11.452 -6.740 1.973 599 HB THR 78 HB THR 78 13.640 -5.456 2.151 600 HG1 THR 78 HG1 THR 78 12.210 -5.513 4.602 601 HG21 THR 78 HG21 THR 78 12.706 -3.184 2.049 602 HG22 THR 78 HG22 THR 78 13.641 -3.433 3.523 603 HG23 THR 78 HG23 THR 78 11.879 -3.462 3.582 604 H PHE 79 HN PHE 79 9.857 -4.077 0.853 605 HA PHE 79 HA PHE 79 8.360 -3.590 3.311 606 HB2 PHE 79 HB2 PHE 79 8.322 -2.238 0.609 607 HB3 PHE 79 HB1 PHE 79 7.186 -1.847 1.893 608 HD1 PHE 79 HD1 PHE 79 9.075 -1.987 4.235 609 HD2 PHE 79 HD2 PHE 79 9.475 -0.226 0.384 610 HE1 PHE 79 HE1 PHE 79 10.681 -0.366 5.150 611 HE2 PHE 79 HE2 PHE 79 11.088 1.397 1.292 612 HZ PHE 79 HZ PHE 79 11.695 1.329 3.673 613 H ILE 80 HN ILE 80 8.168 -5.329 0.367 614 HA ILE 80 HA ILE 80 5.351 -5.526 0.170 615 HB ILE 80 HB ILE 80 6.642 -6.002 -1.775 616 HG12 ILE 80 HG12 ILE 80 5.948 -8.470 -2.209 617 HG13 ILE 80 HG11 ILE 80 5.195 -8.363 -0.620 618 HG21 ILE 80 HG21 ILE 80 8.710 -6.707 -0.797 619 HG22 ILE 80 HG22 ILE 80 8.157 -7.953 -1.917 620 HG23 ILE 80 HG23 ILE 80 7.964 -8.180 -0.179 621 HD11 ILE 80 HD11 ILE 80 3.637 -7.915 -2.463 622 HD12 ILE 80 HD12 ILE 80 4.618 -6.526 -2.926 623 HD13 ILE 80 HD13 ILE 80 3.802 -6.546 -1.364 624 H ILE 81 HN ILE 81 3.967 -6.634 1.362 625 HA ILE 81 HA ILE 81 4.998 -8.898 2.943 626 HB ILE 81 HB ILE 81 3.429 -8.467 4.681 627 HG12 ILE 81 HG12 ILE 81 1.651 -7.596 3.004 628 HG13 ILE 81 HG11 ILE 81 1.659 -6.950 4.637 629 HG21 ILE 81 HG21 ILE 81 4.811 -5.928 3.837 630 HG22 ILE 81 HG22 ILE 81 5.454 -7.205 4.872 631 HG23 ILE 81 HG23 ILE 81 4.112 -6.206 5.434 632 HD11 ILE 81 HD11 ILE 81 1.309 -5.142 3.160 633 HD12 ILE 81 HD12 ILE 81 2.655 -5.633 2.130 634 HD13 ILE 81 HD13 ILE 81 2.964 -5.003 3.749 635 H GLY 82 HN GLY 82 2.935 -7.976 0.464 636 HA2 GLY 82 HA2 GLY 82 2.100 -10.484 -0.210 637 HA3 GLY 82 HA1 GLY 82 0.876 -9.908 0.908 638 H GLU 83 HN GLU 83 -0.251 -10.412 -1.265 639 HA GLU 83 HA GLU 83 -0.495 -7.879 -2.732 640 HB2 GLU 83 HB2 GLU 83 -0.527 -10.678 -3.871 641 HB3 GLU 83 HB1 GLU 83 -1.044 -9.254 -4.758 642 HG2 GLU 83 HG2 GLU 83 1.232 -8.317 -4.486 643 HG3 GLU 83 HG1 GLU 83 1.719 -9.830 -3.725 644 H LEU 84 HN LEU 84 -2.625 -8.260 -4.218 645 HA LEU 84 HA LEU 84 -4.765 -8.775 -2.293 646 HB2 LEU 84 HB2 LEU 84 -4.795 -7.450 -5.011 647 HB3 LEU 84 HB1 LEU 84 -6.217 -7.694 -4.021 648 HG LEU 84 HG LEU 84 -5.696 -5.474 -3.624 649 HD11 LEU 84 HD11 LEU 84 -4.874 -5.303 -1.360 650 HD12 LEU 84 HD12 LEU 84 -4.188 -6.922 -1.462 651 HD13 LEU 84 HD13 LEU 84 -5.937 -6.704 -1.521 652 HD21 LEU 84 HD21 LEU 84 -3.587 -5.411 -4.821 653 HD22 LEU 84 HD22 LEU 84 -2.786 -6.242 -3.485 654 HD23 LEU 84 HD23 LEU 84 -3.433 -4.616 -3.253 655 H HIS 85 HN HIS 85 -6.605 -10.074 -2.908 656 HA HIS 85 HA HIS 85 -5.896 -12.498 -4.220 657 HB2 HIS 85 HB2 HIS 85 -8.718 -11.543 -3.678 658 HB3 HIS 85 HB1 HIS 85 -8.175 -13.201 -3.861 659 HD1 HIS 85 HD1 HIS 85 -8.957 -10.705 -1.393 660 HD2 HIS 85 HD2 HIS 85 -6.479 -14.046 -1.587 661 HE1 HIS 85 HE1 HIS 85 -8.431 -11.312 1.000 662 HE2 HIS 85 HE2 HIS 85 -7.021 -13.394 0.862 663 HA PRO 86 HA PRO 86 -6.796 -11.584 -8.471 664 HB2 PRO 86 HB2 PRO 86 -8.372 -13.770 -9.159 665 HB3 PRO 86 HB1 PRO 86 -6.606 -13.747 -9.182 666 HG2 PRO 86 HG2 PRO 86 -8.444 -14.844 -7.123 667 HG3 PRO 86 HG1 PRO 86 -6.870 -15.451 -7.670 668 HD2 PRO 86 HD2 PRO 86 -7.145 -14.156 -5.334 669 HD3 PRO 86 HD1 PRO 86 -5.685 -13.989 -6.331 670 H ASP 87 HN ASP 87 -9.348 -12.584 -6.323 671 HA ASP 87 HA ASP 87 -11.576 -11.684 -7.795 672 HB2 ASP 87 HB2 ASP 87 -11.410 -11.766 -4.780 673 HB3 ASP 87 HB1 ASP 87 -12.829 -12.003 -5.795 674 H ASP 88 HN ASP 88 -9.365 -10.151 -5.578 675 HA ASP 88 HA ASP 88 -10.850 -7.635 -5.611 676 HB2 ASP 88 HB2 ASP 88 -8.285 -8.390 -4.181 677 HB3 ASP 88 HB1 ASP 88 -9.144 -6.870 -3.992 678 H ARG 89 HN ARG 89 -9.029 -9.052 -7.770 679 HA ARG 89 HA ARG 89 -7.443 -6.657 -8.394 680 HB2 ARG 89 HB2 ARG 89 -6.259 -8.877 -7.860 681 HB3 ARG 89 HB1 ARG 89 -6.841 -9.411 -9.428 682 HG2 ARG 89 HG2 ARG 89 -5.650 -7.569 -10.504 683 HG3 ARG 89 HG1 ARG 89 -5.065 -7.034 -8.927 684 HD2 ARG 89 HD2 ARG 89 -4.477 -9.675 -10.259 685 HD3 ARG 89 HD1 ARG 89 -3.361 -8.325 -10.074 686 HE ARG 89 HE ARG 89 -4.485 -9.708 -7.728 687 HH11 ARG 89 HH11 ARG 89 -1.701 -8.621 -9.622 688 HH12 ARG 89 HH12 ARG 89 -0.525 -9.045 -8.316 689 HH21 ARG 89 HH21 ARG 89 -3.001 -10.275 -6.085 690 HH22 ARG 89 HH22 ARG 89 -1.232 -9.972 -6.382 691 H SER 90 HN SER 90 -8.504 -9.484 -10.296 692 HA SER 90 HA SER 90 -9.266 -7.604 -12.416 693 HB2 SER 90 HB2 SER 90 -8.846 -10.579 -12.699 694 HB3 SER 90 HB1 SER 90 -8.893 -9.365 -13.980 695 HG SER 90 HG SER 90 -6.994 -8.438 -12.825 696 H LYS 91 HN LYS 91 -10.733 -9.490 -10.060 697 HA LYS 91 HA LYS 91 -13.056 -10.160 -11.665 698 HB2 LYS 91 HB2 LYS 91 -12.159 -11.621 -9.799 699 HB3 LYS 91 HB1 LYS 91 -12.767 -10.415 -8.676 700 HG2 LYS 91 HG2 LYS 91 -15.036 -10.768 -9.535 701 HG3 LYS 91 HG1 LYS 91 -14.413 -12.005 -10.625 702 HD2 LYS 91 HD2 LYS 91 -14.004 -12.163 -7.652 703 HD3 LYS 91 HD1 LYS 91 -15.471 -12.775 -8.418 704 HE2 LYS 91 HE2 LYS 91 -12.745 -13.615 -9.349 705 HE3 LYS 91 HE1 LYS 91 -13.542 -14.418 -7.998 706 HZ1 LYS 91 HZ1 LYS 91 -15.295 -15.115 -9.386 707 HZ2 LYS 91 HZ2 LYS 91 -13.874 -15.459 -10.234 708 HZ3 LYS 91 HZ3 LYS 91 -14.805 -14.116 -10.660 709 H LEU 92 HN LEU 92 -12.776 -8.484 -8.531 710 HA LEU 92 HA LEU 92 -13.739 -6.619 -7.685 711 HB2 LEU 92 HB2 LEU 92 -13.516 -6.025 -10.540 712 HB3 LEU 92 HB1 LEU 92 -14.788 -5.127 -9.738 713 HG LEU 92 HG LEU 92 -12.627 -3.908 -9.850 714 HD11 LEU 92 HD11 LEU 92 -12.600 -3.196 -7.514 715 HD12 LEU 92 HD12 LEU 92 -13.565 -4.605 -7.073 716 HD13 LEU 92 HD13 LEU 92 -14.246 -3.364 -8.124 717 HD21 LEU 92 HD21 LEU 92 -11.669 -6.071 -7.983 718 HD22 LEU 92 HD22 LEU 92 -10.793 -4.595 -8.388 719 HD23 LEU 92 HD23 LEU 92 -11.112 -5.802 -9.635 720 H SER 93 HN SER 93 -15.373 -9.070 -8.557 721 HA SER 93 HA SER 93 -18.018 -7.944 -8.886 722 HB2 SER 93 HB2 SER 93 -17.349 -10.837 -8.320 723 HB3 SER 93 HB1 SER 93 -18.772 -10.187 -9.140 724 HG SER 93 HG SER 93 -17.306 -9.447 -10.799 725 H LYS 94 HN LYS 94 -17.362 -6.762 -6.721 726 HA LYS 94 HA LYS 94 -18.664 -8.253 -4.555 727 HB2 LYS 94 HB2 LYS 94 -16.033 -6.791 -4.406 728 HB3 LYS 94 HB1 LYS 94 -17.005 -7.089 -2.974 729 HG2 LYS 94 HG2 LYS 94 -16.725 -9.407 -3.126 730 HG3 LYS 94 HG1 LYS 94 -16.164 -9.315 -4.797 731 HD2 LYS 94 HD2 LYS 94 -14.287 -9.755 -3.340 732 HD3 LYS 94 HD1 LYS 94 -14.141 -8.131 -4.009 733 HE2 LYS 94 HE2 LYS 94 -14.768 -7.126 -1.978 734 HE3 LYS 94 HE1 LYS 94 -15.383 -8.643 -1.326 735 HZ1 LYS 94 HZ1 LYS 94 -13.164 -7.879 -0.456 736 HZ2 LYS 94 HZ2 LYS 94 -12.517 -8.243 -1.986 737 HZ3 LYS 94 HZ3 LYS 94 -13.216 -9.466 -1.048 738 HA PRO 95 HA PRO 95 -20.966 -4.433 -4.471 739 HB2 PRO 95 HB2 PRO 95 -22.501 -4.991 -2.309 740 HB3 PRO 95 HB1 PRO 95 -22.785 -5.719 -3.897 741 HG2 PRO 95 HG2 PRO 95 -21.422 -6.886 -1.517 742 HG3 PRO 95 HG1 PRO 95 -22.552 -7.644 -2.656 743 HD2 PRO 95 HD2 PRO 95 -19.862 -8.001 -2.789 744 HD3 PRO 95 HD1 PRO 95 -20.924 -8.061 -4.208 745 H MET 96 HN MET 96 -21.004 -2.509 -3.272 746 HA MET 96 HA MET 96 -18.963 -2.385 -1.174 747 HB2 MET 96 HB2 MET 96 -18.731 -0.913 -3.152 748 HB3 MET 96 HB1 MET 96 -20.247 -0.134 -2.727 749 HG2 MET 96 HG2 MET 96 -19.328 0.811 -0.776 750 HG3 MET 96 HG1 MET 96 -17.898 -0.215 -0.863 751 HE1 MET 96 HE1 MET 96 -19.867 2.715 -2.545 752 HE2 MET 96 HE2 MET 96 -19.565 1.674 -3.937 753 HE3 MET 96 HE3 MET 96 -18.757 3.236 -3.813 754 H GLU 97 HN GLU 97 -21.915 -0.481 -1.760 755 HA GLU 97 HA GLU 97 -23.597 0.216 -0.417 756 HB2 GLU 97 HB2 GLU 97 -24.024 -2.148 0.000 757 HB3 GLU 97 HB1 GLU 97 -22.817 -2.163 1.276 758 HG2 GLU 97 HG2 GLU 97 -24.308 -0.286 2.307 759 HG3 GLU 97 HG1 GLU 97 -25.549 -0.983 1.266 760 H THR 98 HN THR 98 -22.926 2.175 0.253 761 HA THR 98 HA THR 98 -21.990 2.401 2.974 762 HB THR 98 HB THR 98 -19.887 2.131 1.652 763 HG1 THR 98 HG1 THR 98 -18.879 3.640 2.856 764 HG21 THR 98 HG21 THR 98 -20.702 4.773 0.428 765 HG22 THR 98 HG22 THR 98 -20.588 3.230 -0.418 766 HG23 THR 98 HG23 THR 98 -19.131 3.988 0.227 767 H LEU 99 HN LEU 99 -21.552 4.893 3.385 768 HA LEU 99 HA LEU 99 -22.557 6.907 3.710 769 HB2 LEU 99 HB2 LEU 99 -22.934 6.645 0.729 770 HB3 LEU 99 HB1 LEU 99 -23.199 8.125 1.627 771 HG LEU 99 HG LEU 99 -20.546 6.699 1.553 772 HD11 LEU 99 HD11 LEU 99 -21.178 7.379 -0.711 773 HD12 LEU 99 HD12 LEU 99 -19.842 8.346 -0.090 774 HD13 LEU 99 HD13 LEU 99 -21.470 9.021 -0.135 775 HD21 LEU 99 HD21 LEU 99 -20.848 8.177 3.455 776 HD22 LEU 99 HD22 LEU 99 -21.346 9.487 2.384 777 HD23 LEU 99 HD23 LEU 99 -19.694 8.872 2.318 778 H ILE 100 HN ILE 100 -24.226 5.011 4.547 779 HA ILE 100 HA ILE 100 -26.833 5.461 3.312 780 HB ILE 100 HB ILE 100 -27.622 3.784 5.036 781 HG12 ILE 100 HG12 ILE 100 -24.677 3.211 5.387 782 HG13 ILE 100 HG11 ILE 100 -25.594 4.189 6.527 783 HG21 ILE 100 HG21 ILE 100 -25.485 2.909 3.099 784 HG22 ILE 100 HG22 ILE 100 -27.188 3.175 2.724 785 HG23 ILE 100 HG23 ILE 100 -26.718 1.870 3.812 786 HD11 ILE 100 HD11 ILE 100 -25.351 1.867 7.265 787 HD12 ILE 100 HD12 ILE 100 -26.199 1.327 5.816 788 HD13 ILE 100 HD13 ILE 100 -27.041 2.309 7.015 789 H THR 101 HN THR 101 -24.978 6.542 5.984 790 HA THR 101 HA THR 101 -27.362 7.831 7.125 791 HB THR 101 HB THR 101 -25.074 7.672 8.929 792 HG1 THR 101 HG1 THR 101 -26.113 5.218 9.028 793 HG21 THR 101 HG21 THR 101 -26.803 6.859 10.475 794 HG22 THR 101 HG22 THR 101 -27.943 6.743 9.132 795 HG23 THR 101 HG23 THR 101 -27.325 8.320 9.629 796 H THR 102 HN THR 102 -27.241 9.991 7.627 797 HA THR 102 HA THR 102 -25.158 11.487 6.297 798 HB THR 102 HB THR 102 -26.765 13.331 7.578 799 HG1 THR 102 HG1 THR 102 -28.765 12.534 7.725 800 HG21 THR 102 HG21 THR 102 -26.078 13.373 5.220 801 HG22 THR 102 HG22 THR 102 -27.814 13.635 5.384 802 HG23 THR 102 HG23 THR 102 -27.204 12.062 4.869 803 H VAL 103 HN VAL 103 -23.465 12.424 7.246 804 HA VAL 103 HA VAL 103 -23.300 12.324 10.173 805 HB VAL 103 HB VAL 103 -20.840 12.741 9.794 806 HG11 VAL 103 HG11 VAL 103 -20.374 10.413 9.123 807 HG12 VAL 103 HG12 VAL 103 -22.056 10.242 8.622 808 HG13 VAL 103 HG13 VAL 103 -21.667 10.528 10.319 809 HG21 VAL 103 HG21 VAL 103 -19.896 12.403 7.618 810 HG22 VAL 103 HG22 VAL 103 -21.124 13.664 7.485 811 HG23 VAL 103 HG23 VAL 103 -21.476 12.025 6.933 812 H ASP 104 HN ASP 104 -24.176 14.445 7.882 813 HA ASP 104 HA ASP 104 -23.108 16.755 9.361 814 HB2 ASP 104 HB2 ASP 104 -23.247 18.065 7.300 815 HB3 ASP 104 HB1 ASP 104 -22.222 16.657 7.051 816 HHB HEM 400 HB HEM 400 11.605 5.514 -1.852 817 HHC HEM 400 HC HEM 400 5.367 5.292 -2.876 818 HHD HEM 400 HD HEM 400 5.456 11.312 -4.818 819 HMA HEM 400 HMA1 HEM 400 13.959 6.188 -2.743 820 HMAA HEM 400 HMA2 HEM 400 13.678 6.735 -1.092 821 HMAB HEM 400 HMA3 HEM 400 14.748 7.649 -2.153 822 HAA HEM 400 HAA1 HEM 400 14.685 9.687 -2.552 823 HAAA HEM 400 HAA2 HEM 400 13.679 11.009 -3.122 824 HBA HEM 400 HBA1 HEM 400 14.589 10.769 -5.155 825 HBAA HEM 400 HBA2 HEM 400 13.863 9.167 -5.266 826 HMB HEM 400 HMB1 HEM 400 10.180 2.652 -2.119 827 HMBA HEM 400 HMB2 HEM 400 9.459 2.886 -0.521 828 HMBB HEM 400 HMB3 HEM 400 10.910 3.775 -0.990 829 HAB HEM 400 HAB HEM 400 7.235 2.320 -2.085 830 HBB HEM 400 HBB1 HEM 400 5.163 4.430 -1.075 831 HBBA HEM 400 HBB2 HEM 400 4.980 2.523 -1.212 832 HMC HEM 400 HMC1 HEM 400 2.349 7.197 -4.161 833 HMCA HEM 400 HMC2 HEM 400 3.011 6.442 -2.707 834 HMCB HEM 400 HMC3 HEM 400 3.411 5.807 -4.306 835 HAC HEM 400 HAC HEM 400 3.351 10.354 -5.417 836 HBC HEM 400 HBC1 HEM 400 1.826 8.946 -3.081 837 HBCA HEM 400 HBC2 HEM 400 1.166 10.239 -4.337 838 HMD HEM 400 HMD1 HEM 400 6.108 13.104 -5.535 839 HMDA HEM 400 HMD2 HEM 400 7.538 13.914 -6.177 840 HMDB HEM 400 HMD3 HEM 400 7.002 14.221 -4.524 841 HAD HEM 400 HAD1 HEM 400 9.631 14.455 -4.814 842 HADA HEM 400 HAD2 HEM 400 10.979 13.543 -4.153 843 HBD HEM 400 HBD1 HEM 400 10.235 14.036 -6.992 844 HBDA HEM 400 HBD2 HEM 400 10.928 12.460 -6.607 845 HHA HEM 400 HA HEM 400 11.742 11.462 -4.032 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 20.822 -14.581 17.033 2 H2 MET 1 HT2 MET 1 22.058 -14.278 18.142 3 H3 MET 1 HT3 MET 1 21.271 -12.992 17.383 4 HA MET 1 HA MET 1 20.135 -14.884 19.343 5 HB2 MET 1 HB2 MET 1 21.607 -12.967 20.135 6 HB3 MET 1 HB1 MET 1 20.355 -11.882 19.544 7 HG2 MET 1 HG2 MET 1 18.760 -12.798 21.081 8 HG3 MET 1 HG1 MET 1 19.901 -14.042 21.586 9 HE1 MET 1 HE1 MET 1 18.504 -12.282 23.884 10 HE2 MET 1 HE2 MET 1 19.960 -12.093 24.860 11 HE3 MET 1 HE3 MET 1 19.653 -13.615 24.016 12 H ALA 2 HN ALA 2 19.268 -11.706 17.929 13 HA ALA 2 HA ALA 2 16.582 -12.822 17.451 14 HB1 ALA 2 HB1 ALA 2 16.681 -11.054 19.203 15 HB2 ALA 2 HB2 ALA 2 15.643 -10.649 17.836 16 HB3 ALA 2 HB3 ALA 2 17.245 -9.928 17.968 17 H ALA 3 HN ALA 3 17.900 -13.489 15.437 18 HA ALA 3 HA ALA 3 17.674 -11.340 13.431 19 HB1 ALA 3 HB1 ALA 3 19.988 -12.144 13.787 20 HB2 ALA 3 HB2 ALA 3 19.405 -12.433 12.148 21 HB3 ALA 3 HB3 ALA 3 19.473 -13.761 13.308 22 H GLN 4 HN GLN 4 16.382 -11.696 11.690 23 HA GLN 4 HA GLN 4 15.531 -14.386 11.024 24 HB2 GLN 4 HB2 GLN 4 13.099 -13.751 11.144 25 HB3 GLN 4 HB1 GLN 4 13.895 -13.923 12.702 26 HG2 GLN 4 HG2 GLN 4 14.080 -11.521 12.909 27 HG3 GLN 4 HG1 GLN 4 13.373 -11.307 11.308 28 HE21 GLN 4 HE21 GLN 4 11.665 -10.086 12.117 29 HE22 GLN 4 HE22 GLN 4 10.373 -10.792 13.025 30 H SER 5 HN SER 5 14.687 -14.575 8.962 31 HA SER 5 HA SER 5 14.269 -12.199 7.345 32 HB2 SER 5 HB2 SER 5 16.357 -14.264 6.585 33 HB3 SER 5 HB1 SER 5 15.882 -12.864 5.628 34 HG SER 5 HG SER 5 16.548 -12.016 8.062 35 H ASP 6 HN ASP 6 12.278 -12.679 6.633 36 HA ASP 6 HA ASP 6 11.874 -15.277 5.324 37 HB2 ASP 6 HB2 ASP 6 10.759 -14.660 7.764 38 HB3 ASP 6 HB1 ASP 6 9.479 -14.211 6.641 39 H LYS 7 HN LYS 7 10.804 -15.210 3.450 40 HA LYS 7 HA LYS 7 9.648 -12.634 2.608 41 HB2 LYS 7 HB2 LYS 7 11.103 -14.727 0.969 42 HB3 LYS 7 HB1 LYS 7 10.214 -13.384 0.267 43 HG2 LYS 7 HG2 LYS 7 12.487 -13.010 2.194 44 HG3 LYS 7 HG1 LYS 7 12.701 -13.088 0.444 45 HD2 LYS 7 HD2 LYS 7 11.343 -11.146 0.125 46 HD3 LYS 7 HD1 LYS 7 10.870 -11.133 1.825 47 HE2 LYS 7 HE2 LYS 7 13.295 -10.808 2.393 48 HE3 LYS 7 HE1 LYS 7 13.601 -10.585 0.673 49 HZ1 LYS 7 HZ1 LYS 7 11.805 -8.921 2.353 50 HZ2 LYS 7 HZ2 LYS 7 12.060 -8.712 0.696 51 HZ3 LYS 7 HZ3 LYS 7 13.334 -8.471 1.783 52 H ASP 8 HN ASP 8 7.505 -12.870 2.796 53 HA ASP 8 HA ASP 8 6.286 -15.238 1.565 54 HB2 ASP 8 HB2 ASP 8 6.341 -15.011 4.238 55 HB3 ASP 8 HB1 ASP 8 4.914 -14.032 3.917 56 H VAL 9 HN VAL 9 3.734 -14.714 1.544 57 HA VAL 9 HA VAL 9 3.194 -11.948 0.903 58 HB VAL 9 HB VAL 9 4.109 -12.550 -1.214 59 HG11 VAL 9 HG11 VAL 9 2.307 -14.974 -1.199 60 HG12 VAL 9 HG12 VAL 9 4.061 -14.976 -1.003 61 HG13 VAL 9 HG13 VAL 9 3.345 -14.468 -2.533 62 HG21 VAL 9 HG21 VAL 9 2.215 -11.194 -1.530 63 HG22 VAL 9 HG22 VAL 9 1.104 -12.526 -1.212 64 HG23 VAL 9 HG23 VAL 9 2.046 -12.499 -2.703 65 H LYS 10 HN LYS 10 1.433 -11.700 2.100 66 HA LYS 10 HA LYS 10 -0.578 -13.824 2.182 67 HB2 LYS 10 HB2 LYS 10 0.248 -12.746 4.299 68 HB3 LYS 10 HB1 LYS 10 -0.508 -11.253 3.769 69 HG2 LYS 10 HG2 LYS 10 -2.689 -12.286 3.828 70 HG3 LYS 10 HG1 LYS 10 -1.965 -13.844 4.234 71 HD2 LYS 10 HD2 LYS 10 -1.589 -11.396 5.944 72 HD3 LYS 10 HD1 LYS 10 -2.956 -12.490 6.156 73 HE2 LYS 10 HE2 LYS 10 -1.458 -14.340 6.598 74 HE3 LYS 10 HE1 LYS 10 -0.058 -13.320 6.270 75 HZ1 LYS 10 HZ1 LYS 10 -1.969 -12.558 8.372 76 HZ2 LYS 10 HZ2 LYS 10 -0.326 -12.176 8.232 77 HZ3 LYS 10 HZ3 LYS 10 -0.797 -13.735 8.689 78 H TYR 11 HN TYR 11 -2.466 -13.677 1.129 79 HA TYR 11 HA TYR 11 -2.902 -11.318 -0.504 80 HB2 TYR 11 HB2 TYR 11 -4.114 -14.078 -0.483 81 HB3 TYR 11 HB1 TYR 11 -4.796 -12.771 -1.451 82 HD1 TYR 11 HD2 TYR 11 -1.649 -14.664 -0.855 83 HD2 TYR 11 HD1 TYR 11 -3.898 -12.256 -3.546 84 HE1 TYR 11 HE2 TYR 11 0.017 -15.081 -2.610 85 HE2 TYR 11 HE1 TYR 11 -2.234 -12.666 -5.306 86 HH TYR 11 HH TYR 11 0.403 -13.275 -5.216 87 H TYR 12 HN TYR 12 -3.760 -9.721 0.570 88 HA TYR 12 HA TYR 12 -5.772 -10.110 2.613 89 HB2 TYR 12 HB2 TYR 12 -4.348 -7.700 1.499 90 HB3 TYR 12 HB1 TYR 12 -5.683 -7.550 2.634 91 HD1 TYR 12 HD1 TYR 12 -2.232 -8.825 2.230 92 HD2 TYR 12 HD2 TYR 12 -5.376 -7.930 4.954 93 HE1 TYR 12 HE1 TYR 12 -0.665 -9.073 4.110 94 HE2 TYR 12 HE2 TYR 12 -3.819 -8.179 6.841 95 HH TYR 12 HH TYR 12 -1.657 -9.359 7.313 96 H THR 13 HN THR 13 -7.672 -8.585 2.576 97 HA THR 13 HA THR 13 -9.036 -8.855 0.004 98 HB THR 13 HB THR 13 -10.438 -7.809 2.417 99 HG1 THR 13 HG1 THR 13 -9.083 -9.551 3.193 100 HG21 THR 13 HG21 THR 13 -12.234 -9.269 1.587 101 HG22 THR 13 HG22 THR 13 -11.161 -9.863 0.318 102 HG23 THR 13 HG23 THR 13 -11.664 -8.172 0.329 103 H LEU 14 HN LEU 14 -10.121 -7.091 -0.974 104 HA LEU 14 HA LEU 14 -8.724 -4.704 -1.130 105 HB2 LEU 14 HB2 LEU 14 -10.461 -5.692 -2.726 106 HB3 LEU 14 HB1 LEU 14 -11.667 -4.925 -1.709 107 HG LEU 14 HG LEU 14 -10.054 -2.814 -2.187 108 HD11 LEU 14 HD11 LEU 14 -9.332 -2.805 -4.474 109 HD12 LEU 14 HD12 LEU 14 -9.984 -4.424 -4.731 110 HD13 LEU 14 HD13 LEU 14 -8.606 -4.188 -3.655 111 HD21 LEU 14 HD21 LEU 14 -11.698 -2.116 -3.835 112 HD22 LEU 14 HD22 LEU 14 -12.482 -2.906 -2.466 113 HD23 LEU 14 HD23 LEU 14 -12.274 -3.778 -3.985 114 H GLU 15 HN GLU 15 -11.865 -5.211 0.503 115 HA GLU 15 HA GLU 15 -11.777 -2.594 1.703 116 HB2 GLU 15 HB2 GLU 15 -13.843 -3.405 2.907 117 HB3 GLU 15 HB1 GLU 15 -13.934 -3.422 1.152 118 HG2 GLU 15 HG2 GLU 15 -13.052 -5.904 2.507 119 HG3 GLU 15 HG1 GLU 15 -14.752 -5.456 2.634 120 H GLU 16 HN GLU 16 -9.938 -5.104 2.366 121 HA GLU 16 HA GLU 16 -10.198 -5.022 5.279 122 HB2 GLU 16 HB2 GLU 16 -10.085 -7.220 4.338 123 HB3 GLU 16 HB1 GLU 16 -8.658 -6.809 3.402 124 HG2 GLU 16 HG2 GLU 16 -7.324 -6.696 5.398 125 HG3 GLU 16 HG1 GLU 16 -8.755 -6.934 6.406 126 H ILE 17 HN ILE 17 -7.869 -4.360 2.690 127 HA ILE 17 HA ILE 17 -5.784 -3.582 4.478 128 HB ILE 17 HB ILE 17 -4.767 -2.524 2.386 129 HG12 ILE 17 HG12 ILE 17 -6.015 -3.954 0.387 130 HG13 ILE 17 HG11 ILE 17 -7.374 -3.379 1.346 131 HG21 ILE 17 HG21 ILE 17 -4.149 -4.730 1.464 132 HG22 ILE 17 HG22 ILE 17 -5.421 -5.464 2.443 133 HG23 ILE 17 HG23 ILE 17 -4.056 -4.667 3.225 134 HD11 ILE 17 HD11 ILE 17 -6.817 -1.860 -0.484 135 HD12 ILE 17 HD12 ILE 17 -5.202 -1.646 0.192 136 HD13 ILE 17 HD13 ILE 17 -6.615 -1.096 1.092 137 H LYS 18 HN LYS 18 -8.240 -1.810 2.645 138 HA LYS 18 HA LYS 18 -7.228 0.759 3.333 139 HB2 LYS 18 HB2 LYS 18 -9.381 1.618 2.482 140 HB3 LYS 18 HB1 LYS 18 -8.589 0.520 1.362 141 HG2 LYS 18 HG2 LYS 18 -10.159 -1.143 1.670 142 HG3 LYS 18 HG1 LYS 18 -10.666 -0.516 3.240 143 HD2 LYS 18 HD2 LYS 18 -12.366 -0.128 1.503 144 HD3 LYS 18 HD1 LYS 18 -11.739 1.383 2.158 145 HE2 LYS 18 HE2 LYS 18 -10.048 0.995 0.079 146 HE3 LYS 18 HE1 LYS 18 -11.516 0.250 -0.551 147 HZ1 LYS 18 HZ1 LYS 18 -11.324 2.624 -1.096 148 HZ2 LYS 18 HZ2 LYS 18 -11.361 3.003 0.552 149 HZ3 LYS 18 HZ3 LYS 18 -12.706 2.290 -0.179 150 H LYS 19 HN LYS 19 -8.817 -1.540 5.157 151 HA LYS 19 HA LYS 19 -10.192 0.365 6.874 152 HB2 LYS 19 HB2 LYS 19 -11.161 -1.891 6.331 153 HB3 LYS 19 HB1 LYS 19 -9.846 -2.621 7.240 154 HG2 LYS 19 HG2 LYS 19 -11.790 -2.559 8.625 155 HG3 LYS 19 HG1 LYS 19 -10.623 -1.399 9.255 156 HD2 LYS 19 HD2 LYS 19 -12.712 -0.309 9.336 157 HD3 LYS 19 HD1 LYS 19 -11.879 0.369 7.938 158 HE2 LYS 19 HE2 LYS 19 -14.162 -0.075 7.334 159 HE3 LYS 19 HE1 LYS 19 -13.122 -1.220 6.491 160 HZ1 LYS 19 HZ1 LYS 19 -14.979 -2.399 7.334 161 HZ2 LYS 19 HZ2 LYS 19 -14.799 -1.742 8.881 162 HZ3 LYS 19 HZ3 LYS 19 -13.654 -2.834 8.290 163 H HIS 20 HN HIS 20 -7.106 -0.586 6.435 164 HA HIS 20 HA HIS 20 -6.420 -0.377 9.292 165 HB2 HIS 20 HB2 HIS 20 -5.158 -1.869 7.023 166 HB3 HIS 20 HB1 HIS 20 -4.164 -1.354 8.380 167 HD1 HIS 20 HD1 HIS 20 -6.733 -3.836 7.377 168 HD2 HIS 20 HD2 HIS 20 -4.739 -2.659 10.831 169 HE1 HIS 20 HE1 HIS 20 -7.130 -5.671 9.045 170 HE2 HIS 20 HE2 HIS 20 -5.716 -5.044 11.031 171 H ASN 21 HN ASN 21 -6.785 1.681 6.967 172 HA ASN 21 HA ASN 21 -4.181 2.782 6.573 173 HB2 ASN 21 HB2 ASN 21 -5.310 4.641 5.467 174 HB3 ASN 21 HB1 ASN 21 -5.960 3.104 4.920 175 HD21 ASN 21 HD21 ASN 21 -7.110 5.738 4.800 176 HD22 ASN 21 HD22 ASN 21 -8.612 5.671 5.652 177 H HIS 22 HN HIS 22 -3.729 2.684 8.949 178 HA HIS 22 HA HIS 22 -4.505 5.223 10.232 179 HB2 HIS 22 HB2 HIS 22 -3.908 2.521 11.429 180 HB3 HIS 22 HB1 HIS 22 -3.836 3.993 12.388 181 HD1 HIS 22 HD1 HIS 22 -5.930 4.370 13.653 182 HD2 HIS 22 HD2 HIS 22 -6.633 2.434 10.040 183 HE1 HIS 22 HE1 HIS 22 -8.413 3.978 13.564 184 HE2 HIS 22 HE2 HIS 22 -8.823 2.840 11.355 185 H SER 23 HN SER 23 -2.744 5.921 11.870 186 HA SER 23 HA SER 23 -0.425 6.516 10.412 187 HB2 SER 23 HB2 SER 23 -0.691 6.704 13.408 188 HB3 SER 23 HB1 SER 23 0.279 7.716 12.336 189 HG SER 23 HG SER 23 -1.459 8.817 11.759 190 H LYS 24 HN LYS 24 -1.121 3.843 12.537 191 HA LYS 24 HA LYS 24 1.726 3.095 12.494 192 HB2 LYS 24 HB2 LYS 24 1.256 1.629 14.372 193 HB3 LYS 24 HB1 LYS 24 0.720 3.265 14.727 194 HG2 LYS 24 HG2 LYS 24 -1.588 2.590 14.177 195 HG3 LYS 24 HG1 LYS 24 -1.015 0.937 13.938 196 HD2 LYS 24 HD2 LYS 24 -0.137 1.008 16.287 197 HD3 LYS 24 HD1 LYS 24 -0.969 2.550 16.484 198 HE2 LYS 24 HE2 LYS 24 -3.097 1.469 15.974 199 HE3 LYS 24 HE1 LYS 24 -2.268 -0.074 15.767 200 HZ1 LYS 24 HZ1 LYS 24 -1.501 0.194 18.115 201 HZ2 LYS 24 HZ2 LYS 24 -3.163 -0.048 17.933 202 HZ3 LYS 24 HZ3 LYS 24 -2.569 1.501 18.255 203 H SER 25 HN SER 25 -0.542 2.668 10.432 204 HA SER 25 HA SER 25 0.330 0.028 9.669 205 HB2 SER 25 HB2 SER 25 -2.602 0.528 10.254 206 HB3 SER 25 HB1 SER 25 -1.951 -0.920 9.482 207 HG SER 25 HG SER 25 -0.625 -0.454 11.764 208 H THR 26 HN THR 26 0.603 2.645 8.578 209 HA THR 26 HA THR 26 -1.277 3.116 6.503 210 HB THR 26 HB THR 26 1.589 4.065 6.587 211 HG1 THR 26 HG1 THR 26 -0.435 4.577 8.292 212 HG21 THR 26 HG21 THR 26 0.677 5.983 5.326 213 HG22 THR 26 HG22 THR 26 -0.897 5.189 5.287 214 HG23 THR 26 HG23 THR 26 0.479 4.459 4.458 215 H TRP 27 HN TRP 27 -1.603 1.387 5.196 216 HA TRP 27 HA TRP 27 0.690 0.185 3.839 217 HB2 TRP 27 HB2 TRP 27 -2.211 -0.652 4.031 218 HB3 TRP 27 HB1 TRP 27 -1.021 -1.482 3.032 219 HD1 TRP 27 HD1 TRP 27 1.210 -0.972 5.572 220 HE1 TRP 27 HE1 TRP 27 1.154 -2.719 7.453 221 HE3 TRP 27 HE3 TRP 27 -3.424 -2.946 4.681 222 HZ2 TRP 27 HZ2 TRP 27 -0.632 -4.683 8.427 223 HZ3 TRP 27 HZ3 TRP 27 -4.228 -4.760 6.135 224 HH2 TRP 27 HH2 TRP 27 -2.858 -5.610 7.967 225 H LEU 28 HN LEU 28 1.024 0.394 1.698 226 HA LEU 28 HA LEU 28 -0.930 1.986 0.169 227 HB2 LEU 28 HB2 LEU 28 1.702 2.698 0.888 228 HB3 LEU 28 HB1 LEU 28 1.753 2.312 -0.819 229 HG LEU 28 HG LEU 28 -0.344 4.180 0.218 230 HD11 LEU 28 HD11 LEU 28 1.726 5.040 1.137 231 HD12 LEU 28 HD12 LEU 28 1.187 6.054 -0.204 232 HD13 LEU 28 HD13 LEU 28 2.506 4.905 -0.440 233 HD21 LEU 28 HD21 LEU 28 -0.002 5.149 -2.053 234 HD22 LEU 28 HD22 LEU 28 -0.590 3.487 -2.056 235 HD23 LEU 28 HD23 LEU 28 1.107 3.823 -2.397 236 H ILE 29 HN ILE 29 -1.356 1.288 -1.882 237 HA ILE 29 HA ILE 29 -0.156 -1.281 -2.602 238 HB ILE 29 HB ILE 29 -2.614 0.064 -3.739 239 HG12 ILE 29 HG12 ILE 29 -2.373 -2.303 -1.871 240 HG13 ILE 29 HG11 ILE 29 -2.893 -0.688 -1.401 241 HG21 ILE 29 HG21 ILE 29 -3.040 -2.113 -4.803 242 HG22 ILE 29 HG22 ILE 29 -1.475 -2.684 -4.222 243 HG23 ILE 29 HG23 ILE 29 -1.554 -1.359 -5.385 244 HD11 ILE 29 HD11 ILE 29 -4.317 -2.324 -3.474 245 HD12 ILE 29 HD12 ILE 29 -4.887 -0.873 -2.649 246 HD13 ILE 29 HD13 ILE 29 -4.709 -2.383 -1.757 247 H LEU 30 HN LEU 30 1.458 -1.254 -3.972 248 HA LEU 30 HA LEU 30 1.469 0.767 -6.114 249 HB2 LEU 30 HB2 LEU 30 3.859 -0.300 -4.604 250 HB3 LEU 30 HB1 LEU 30 3.936 0.777 -5.985 251 HG LEU 30 HG LEU 30 2.620 1.476 -3.360 252 HD11 LEU 30 HD11 LEU 30 4.569 2.870 -2.954 253 HD12 LEU 30 HD12 LEU 30 5.313 2.281 -4.437 254 HD13 LEU 30 HD13 LEU 30 5.028 1.175 -3.097 255 HD21 LEU 30 HD21 LEU 30 3.352 3.174 -5.742 256 HD22 LEU 30 HD22 LEU 30 2.633 3.745 -4.235 257 HD23 LEU 30 HD23 LEU 30 1.723 2.673 -5.296 258 H HIS 31 HN HIS 31 1.337 -0.135 -8.033 259 HA HIS 31 HA HIS 31 1.498 -1.593 -9.758 260 HB2 HIS 31 HB2 HIS 31 3.705 -2.785 -8.063 261 HB3 HIS 31 HB1 HIS 31 3.289 -3.383 -9.665 262 HD1 HIS 31 HD1 HIS 31 5.798 -2.710 -10.300 263 HD2 HIS 31 HD2 HIS 31 3.259 0.459 -9.407 264 HE1 HIS 31 HE1 HIS 31 6.929 -0.657 -11.207 265 HE2 HIS 31 HE2 HIS 31 5.292 1.222 -10.819 266 H HIS 32 HN HIS 32 -0.327 -1.882 -7.610 267 HA HIS 32 HA HIS 32 -1.998 -3.228 -6.927 268 HB2 HIS 32 HB2 HIS 32 -0.930 -5.047 -9.092 269 HB3 HIS 32 HB1 HIS 32 -2.413 -5.351 -8.191 270 HD1 HIS 32 HD1 HIS 32 -1.286 -3.890 -11.238 271 HD2 HIS 32 HD2 HIS 32 -4.261 -2.972 -8.480 272 HE1 HIS 32 HE1 HIS 32 -2.884 -2.376 -12.448 273 HE2 HIS 32 HE2 HIS 32 -4.735 -1.913 -10.796 274 H LYS 33 HN LYS 33 0.674 -3.356 -5.719 275 HA LYS 33 HA LYS 33 0.435 -5.967 -4.364 276 HB2 LYS 33 HB2 LYS 33 3.000 -4.391 -4.599 277 HB3 LYS 33 HB1 LYS 33 2.801 -6.057 -4.077 278 HG2 LYS 33 HG2 LYS 33 2.090 -5.218 -6.861 279 HG3 LYS 33 HG1 LYS 33 3.754 -5.602 -6.414 280 HD2 LYS 33 HD2 LYS 33 3.032 -7.813 -5.644 281 HD3 LYS 33 HD1 LYS 33 1.372 -7.424 -6.103 282 HE2 LYS 33 HE2 LYS 33 1.930 -7.339 -8.399 283 HE3 LYS 33 HE1 LYS 33 3.657 -7.363 -8.054 284 HZ1 LYS 33 HZ1 LYS 33 1.833 -9.603 -7.375 285 HZ2 LYS 33 HZ2 LYS 33 3.528 -9.609 -7.367 286 HZ3 LYS 33 HZ3 LYS 33 2.690 -9.511 -8.834 287 H VAL 34 HN VAL 34 0.783 -5.925 -2.069 288 HA VAL 34 HA VAL 34 0.156 -3.313 -0.913 289 HB VAL 34 HB VAL 34 0.240 -5.942 0.561 290 HG11 VAL 34 HG11 VAL 34 -1.149 -4.839 2.172 291 HG12 VAL 34 HG12 VAL 34 -1.313 -3.424 1.135 292 HG13 VAL 34 HG13 VAL 34 0.249 -3.810 1.857 293 HG21 VAL 34 HG21 VAL 34 -1.292 -6.211 -1.293 294 HG22 VAL 34 HG22 VAL 34 -2.086 -4.687 -0.896 295 HG23 VAL 34 HG23 VAL 34 -2.202 -6.057 0.207 296 H TYR 35 HN TYR 35 1.727 -2.092 -0.132 297 HA TYR 35 HA TYR 35 4.124 -3.409 0.962 298 HB2 TYR 35 HB2 TYR 35 3.867 -0.763 -0.478 299 HB3 TYR 35 HB1 TYR 35 5.327 -1.285 0.361 300 HD1 TYR 35 HD2 TYR 35 6.466 -3.413 -0.438 301 HD2 TYR 35 HD1 TYR 35 3.443 -1.436 -2.684 302 HE1 TYR 35 HE2 TYR 35 7.213 -4.588 -2.463 303 HE2 TYR 35 HE1 TYR 35 4.184 -2.603 -4.718 304 HH TYR 35 HH TYR 35 6.094 -3.734 -5.600 305 H ASP 36 HN ASP 36 4.837 -2.815 2.941 306 HA ASP 36 HA ASP 36 3.129 -0.959 4.457 307 HB2 ASP 36 HB2 ASP 36 3.395 -3.344 5.260 308 HB3 ASP 36 HB1 ASP 36 5.089 -2.983 5.564 309 H LEU 37 HN LEU 37 3.923 1.004 4.689 310 HA LEU 37 HA LEU 37 6.772 1.314 5.279 311 HB2 LEU 37 HB2 LEU 37 6.994 3.211 3.805 312 HB3 LEU 37 HB1 LEU 37 6.453 1.823 2.881 313 HG LEU 37 HG LEU 37 4.390 3.725 3.883 314 HD11 LEU 37 HD11 LEU 37 6.198 4.262 1.536 315 HD12 LEU 37 HD12 LEU 37 6.069 5.226 3.008 316 HD13 LEU 37 HD13 LEU 37 4.705 5.133 1.891 317 HD21 LEU 37 HD21 LEU 37 4.692 2.261 1.267 318 HD22 LEU 37 HD22 LEU 37 3.258 3.093 1.869 319 HD23 LEU 37 HD23 LEU 37 3.828 1.628 2.671 320 H THR 38 HN THR 38 4.335 1.285 6.871 321 HA THR 38 HA THR 38 3.486 3.877 7.553 322 HB THR 38 HB THR 38 2.439 1.588 8.144 323 HG1 THR 38 HG1 THR 38 2.530 3.852 9.866 324 HG21 THR 38 HG21 THR 38 4.149 1.986 10.598 325 HG22 THR 38 HG22 THR 38 4.388 0.721 9.395 326 HG23 THR 38 HG23 THR 38 2.917 0.749 10.364 327 H LYS 39 HN LYS 39 6.403 2.234 8.302 328 HA LYS 39 HA LYS 39 6.996 4.182 10.424 329 HB2 LYS 39 HB2 LYS 39 8.141 1.465 9.814 330 HB3 LYS 39 HB1 LYS 39 8.946 2.590 10.897 331 HG2 LYS 39 HG2 LYS 39 6.111 1.682 11.306 332 HG3 LYS 39 HG1 LYS 39 7.502 0.831 11.982 333 HD2 LYS 39 HD2 LYS 39 7.156 2.192 13.744 334 HD3 LYS 39 HD1 LYS 39 8.025 3.370 12.763 335 HE2 LYS 39 HE2 LYS 39 5.824 4.146 11.872 336 HE3 LYS 39 HE1 LYS 39 5.036 3.058 13.010 337 HZ1 LYS 39 HZ1 LYS 39 5.934 4.271 14.827 338 HZ2 LYS 39 HZ2 LYS 39 5.223 5.391 13.780 339 HZ3 LYS 39 HZ3 LYS 39 6.901 5.215 13.812 340 H PHE 40 HN PHE 40 7.173 4.138 7.311 341 HA PHE 40 HA PHE 40 9.862 5.320 7.221 342 HB2 PHE 40 HB2 PHE 40 8.530 3.569 5.155 343 HB3 PHE 40 HB1 PHE 40 9.966 4.537 4.823 344 HD1 PHE 40 HD1 PHE 40 8.641 1.623 6.601 345 HD2 PHE 40 HD2 PHE 40 12.110 3.944 5.760 346 HE1 PHE 40 HE1 PHE 40 10.060 -0.183 7.485 347 HE2 PHE 40 HE2 PHE 40 13.534 2.138 6.638 348 HZ PHE 40 HZ PHE 40 12.508 0.073 7.504 349 H LEU 41 HN LEU 41 6.759 6.084 7.236 350 HA LEU 41 HA LEU 41 6.316 7.667 4.963 351 HB2 LEU 41 HB2 LEU 41 5.272 8.159 7.752 352 HB3 LEU 41 HB1 LEU 41 4.574 8.753 6.260 353 HG LEU 41 HG LEU 41 4.767 5.818 6.921 354 HD11 LEU 41 HD11 LEU 41 3.418 6.956 8.615 355 HD12 LEU 41 HD12 LEU 41 2.413 5.958 7.562 356 HD13 LEU 41 HD13 LEU 41 2.453 7.707 7.343 357 HD21 LEU 41 HD21 LEU 41 4.518 6.337 4.555 358 HD22 LEU 41 HD22 LEU 41 3.136 7.371 4.913 359 HD23 LEU 41 HD23 LEU 41 3.032 5.633 5.192 360 H GLU 42 HN GLU 42 7.863 8.334 8.030 361 HA GLU 42 HA GLU 42 8.337 11.108 7.364 362 HB2 GLU 42 HB2 GLU 42 9.428 11.205 9.561 363 HB3 GLU 42 HB1 GLU 42 7.824 10.496 9.673 364 HG2 GLU 42 HG2 GLU 42 9.267 8.267 9.358 365 HG3 GLU 42 HG1 GLU 42 10.467 9.288 10.146 366 H GLU 43 HN GLU 43 9.709 8.261 6.470 367 HA GLU 43 HA GLU 43 12.438 9.346 6.354 368 HB2 GLU 43 HB2 GLU 43 11.616 6.504 5.759 369 HB3 GLU 43 HB1 GLU 43 13.227 7.110 6.116 370 HG2 GLU 43 HG2 GLU 43 11.171 7.473 8.208 371 HG3 GLU 43 HG1 GLU 43 11.721 5.828 7.897 372 H HIS 44 HN HIS 44 9.830 9.583 4.608 373 HA HIS 44 HA HIS 44 11.080 8.898 2.049 374 HB2 HIS 44 HB2 HIS 44 8.880 7.888 2.442 375 HB3 HIS 44 HB1 HIS 44 8.189 9.482 2.711 376 HD1 HIS 44 HD1 HIS 44 7.112 10.496 0.713 377 HD2 HIS 44 HD2 HIS 44 9.949 7.634 -0.311 378 HE1 HIS 44 HE1 HIS 44 7.026 10.280 -1.806 379 HA PRO 45 HA PRO 45 11.779 13.279 1.553 380 HB2 PRO 45 HB2 PRO 45 12.683 13.151 -1.018 381 HB3 PRO 45 HB1 PRO 45 13.683 12.752 0.387 382 HG2 PRO 45 HG2 PRO 45 12.267 10.927 -1.490 383 HG3 PRO 45 HG1 PRO 45 13.865 10.756 -0.738 384 HD2 PRO 45 HD2 PRO 45 11.671 9.436 0.155 385 HD3 PRO 45 HD1 PRO 45 13.010 9.919 1.215 386 H GLY 46 HN GLY 46 10.064 14.555 1.324 387 HA2 GLY 46 HA2 GLY 46 8.883 15.623 -0.714 388 HA3 GLY 46 HA1 GLY 46 8.165 14.022 -0.850 389 H GLY 47 HN GLY 47 8.004 13.572 1.993 390 HA2 GLY 47 HA2 GLY 47 6.964 14.925 3.844 391 HA3 GLY 47 HA1 GLY 47 5.821 15.458 2.619 392 H GLU 48 HN GLU 48 4.946 14.285 4.941 393 HA GLU 48 HA GLU 48 4.383 11.488 4.334 394 HB2 GLU 48 HB2 GLU 48 3.431 11.363 6.543 395 HB3 GLU 48 HB1 GLU 48 4.973 12.201 6.650 396 HG2 GLU 48 HG2 GLU 48 3.786 14.347 6.699 397 HG3 GLU 48 HG1 GLU 48 2.251 13.485 6.642 398 H GLU 49 HN GLU 49 2.907 14.594 4.151 399 HA GLU 49 HA GLU 49 0.194 13.989 4.241 400 HB2 GLU 49 HB2 GLU 49 1.214 16.269 4.193 401 HB3 GLU 49 HB1 GLU 49 1.525 16.054 2.477 402 HG2 GLU 49 HG2 GLU 49 -0.443 17.368 2.733 403 HG3 GLU 49 HG1 GLU 49 -0.911 15.782 2.124 404 H VAL 50 HN VAL 50 2.376 14.021 1.442 405 HA VAL 50 HA VAL 50 0.404 13.311 -0.454 406 HB VAL 50 HB VAL 50 2.304 12.765 -1.952 407 HG11 VAL 50 HG11 VAL 50 3.160 15.030 -2.106 408 HG12 VAL 50 HG12 VAL 50 2.618 15.371 -0.463 409 HG13 VAL 50 HG13 VAL 50 1.437 15.058 -1.734 410 HG21 VAL 50 HG21 VAL 50 4.602 13.290 -1.127 411 HG22 VAL 50 HG22 VAL 50 3.886 11.849 -0.401 412 HG23 VAL 50 HG23 VAL 50 3.946 13.361 0.510 413 H LEU 51 HN LEU 51 1.916 11.455 1.938 414 HA LEU 51 HA LEU 51 1.633 8.964 0.437 415 HB2 LEU 51 HB2 LEU 51 2.738 9.511 3.188 416 HB3 LEU 51 HB1 LEU 51 2.652 7.922 2.453 417 HG LEU 51 HG LEU 51 4.237 10.240 1.340 418 HD11 LEU 51 HD11 LEU 51 5.142 7.826 2.898 419 HD12 LEU 51 HD12 LEU 51 5.163 9.500 3.453 420 HD13 LEU 51 HD13 LEU 51 6.199 9.000 2.115 421 HD21 LEU 51 HD21 LEU 51 4.106 7.326 0.563 422 HD22 LEU 51 HD22 LEU 51 5.267 8.494 -0.068 423 HD23 LEU 51 HD23 LEU 51 3.547 8.699 -0.394 424 H ARG 52 HN ARG 52 0.349 10.580 3.317 425 HA ARG 52 HA ARG 52 -1.336 8.419 4.052 426 HB2 ARG 52 HB2 ARG 52 -2.516 10.142 5.472 427 HB3 ARG 52 HB1 ARG 52 -0.808 9.924 5.789 428 HG2 ARG 52 HG2 ARG 52 -0.963 12.199 5.840 429 HG3 ARG 52 HG1 ARG 52 -0.550 11.944 4.146 430 HD2 ARG 52 HD2 ARG 52 -2.374 13.575 4.448 431 HD3 ARG 52 HD1 ARG 52 -2.861 12.173 3.496 432 HE ARG 52 HE ARG 52 -3.757 11.375 5.802 433 HH11 ARG 52 HH11 ARG 52 -3.729 14.702 4.618 434 HH12 ARG 52 HH12 ARG 52 -5.267 15.122 5.473 435 HH21 ARG 52 HH21 ARG 52 -5.698 11.886 6.894 436 HH22 ARG 52 HH22 ARG 52 -6.369 13.557 6.731 437 H GLU 53 HN GLU 53 -1.669 10.930 1.687 438 HA GLU 53 HA GLU 53 -4.546 10.659 1.552 439 HB2 GLU 53 HB2 GLU 53 -4.418 12.200 -0.354 440 HB3 GLU 53 HB1 GLU 53 -3.564 12.823 1.048 441 HG2 GLU 53 HG2 GLU 53 -1.434 12.078 0.036 442 HG3 GLU 53 HG1 GLU 53 -2.333 11.568 -1.393 443 H GLN 54 HN GLN 54 -2.130 8.688 0.687 444 HA GLN 54 HA GLN 54 -3.670 7.544 -1.552 445 HB2 GLN 54 HB2 GLN 54 -0.676 7.329 -1.181 446 HB3 GLN 54 HB1 GLN 54 -1.613 6.772 -2.557 447 HG2 GLN 54 HG2 GLN 54 -1.592 9.663 -1.812 448 HG3 GLN 54 HG1 GLN 54 -0.265 8.967 -2.731 449 HE21 GLN 54 HE21 GLN 54 -3.690 9.672 -2.736 450 HE22 GLN 54 HE22 GLN 54 -3.897 9.584 -4.451 451 H ALA 55 HN ALA 55 -3.162 7.214 1.544 452 HA ALA 55 HA ALA 55 -2.225 4.549 1.865 453 HB1 ALA 55 HB1 ALA 55 -3.839 6.256 3.752 454 HB2 ALA 55 HB2 ALA 55 -2.078 6.214 3.653 455 HB3 ALA 55 HB3 ALA 55 -2.969 4.782 4.175 456 H GLY 56 HN GLY 56 -3.275 2.683 1.702 457 HA2 GLY 56 HA2 GLY 56 -5.073 1.198 1.850 458 HA3 GLY 56 HA1 GLY 56 -6.157 2.564 2.066 459 H GLY 57 HN GLY 57 -4.120 3.113 -0.537 460 HA2 GLY 57 HA2 GLY 57 -5.958 1.831 -2.437 461 HA3 GLY 57 HA1 GLY 57 -5.683 3.564 -2.545 462 H ASP 58 HN ASP 58 -5.120 2.407 -4.773 463 HA ASP 58 HA ASP 58 -2.304 1.609 -4.794 464 HB2 ASP 58 HB2 ASP 58 -3.886 0.210 -6.059 465 HB3 ASP 58 HB1 ASP 58 -4.347 1.603 -7.029 466 H ALA 59 HN ALA 59 -0.743 2.911 -5.422 467 HA ALA 59 HA ALA 59 -1.493 5.451 -6.721 468 HB1 ALA 59 HB1 ALA 59 0.305 6.547 -5.542 469 HB2 ALA 59 HB2 ALA 59 0.795 5.024 -4.801 470 HB3 ALA 59 HB3 ALA 59 -0.757 5.748 -4.383 471 H THR 60 HN THR 60 -0.791 2.970 -8.030 472 HA THR 60 HA THR 60 1.863 2.832 -8.868 473 HB THR 60 HB THR 60 -0.630 2.115 -10.428 474 HG1 THR 60 HG1 THR 60 -0.635 0.786 -8.735 475 HG21 THR 60 HG21 THR 60 0.934 0.551 -11.630 476 HG22 THR 60 HG22 THR 60 2.272 1.424 -10.888 477 HG23 THR 60 HG23 THR 60 1.181 2.261 -11.988 478 H GLU 61 HN GLU 61 -0.854 4.614 -10.327 479 HA GLU 61 HA GLU 61 0.554 5.627 -12.523 480 HB2 GLU 61 HB2 GLU 61 -1.203 7.373 -12.614 481 HB3 GLU 61 HB1 GLU 61 -1.851 5.749 -12.456 482 HG2 GLU 61 HG2 GLU 61 -2.237 6.133 -10.079 483 HG3 GLU 61 HG1 GLU 61 -1.573 7.759 -10.235 484 H ASN 62 HN ASN 62 0.311 6.778 -9.220 485 HA ASN 62 HA ASN 62 1.553 9.300 -9.662 486 HB2 ASN 62 HB2 ASN 62 0.131 8.296 -7.624 487 HB3 ASN 62 HB1 ASN 62 1.743 7.969 -7.002 488 HD21 ASN 62 HD21 ASN 62 -0.266 9.779 -5.968 489 HD22 ASN 62 HD22 ASN 62 0.455 11.353 -5.974 490 H PHE 63 HN PHE 63 2.664 6.107 -8.769 491 HA PHE 63 HA PHE 63 5.323 6.739 -8.077 492 HB2 PHE 63 HB2 PHE 63 3.965 4.584 -7.664 493 HB3 PHE 63 HB1 PHE 63 4.452 4.120 -9.288 494 HD1 PHE 63 HD2 PHE 63 5.632 4.842 -5.887 495 HD2 PHE 63 HD1 PHE 63 6.665 3.360 -9.740 496 HE1 PHE 63 HE2 PHE 63 7.728 3.940 -4.974 497 HE2 PHE 63 HE1 PHE 63 8.764 2.453 -8.834 498 HZ PHE 63 HZ PHE 63 9.300 2.744 -6.448 499 H GLU 64 HN GLU 64 3.891 5.625 -11.135 500 HA GLU 64 HA GLU 64 6.388 5.660 -12.540 501 HB2 GLU 64 HB2 GLU 64 3.794 5.801 -14.012 502 HB3 GLU 64 HB1 GLU 64 5.242 4.881 -14.386 503 HG2 GLU 64 HG2 GLU 64 3.456 4.216 -12.071 504 HG3 GLU 64 HG1 GLU 64 3.200 3.574 -13.689 505 H ASP 65 HN ASP 65 3.667 7.877 -12.230 506 HA ASP 65 HA ASP 65 4.246 9.670 -14.277 507 HB2 ASP 65 HB2 ASP 65 2.166 9.689 -12.952 508 HB3 ASP 65 HB1 ASP 65 3.062 10.290 -11.562 509 H VAL 66 HN VAL 66 5.136 9.977 -10.848 510 HA VAL 66 HA VAL 66 6.755 12.260 -11.210 511 HB VAL 66 HB VAL 66 6.734 10.214 -8.984 512 HG11 VAL 66 HG11 VAL 66 7.961 11.824 -7.650 513 HG12 VAL 66 HG12 VAL 66 8.019 12.944 -9.010 514 HG13 VAL 66 HG13 VAL 66 8.887 11.409 -9.091 515 HG21 VAL 66 HG21 VAL 66 4.637 11.457 -9.286 516 HG22 VAL 66 HG22 VAL 66 5.525 12.975 -9.154 517 HG23 VAL 66 HG23 VAL 66 5.438 11.882 -7.774 518 H GLY 67 HN GLY 67 7.525 8.799 -11.057 519 HA2 GLY 67 HA2 GLY 67 9.313 7.779 -12.210 520 HA3 GLY 67 HA1 GLY 67 10.049 9.364 -12.417 521 H HIS 68 HN HIS 68 10.558 6.533 -11.006 522 HA HIS 68 HA HIS 68 11.873 7.734 -8.659 523 HB2 HIS 68 HB2 HIS 68 10.434 5.113 -8.958 524 HB3 HIS 68 HB1 HIS 68 11.673 5.321 -7.725 525 HD1 HIS 68 HD1 HIS 68 8.353 6.902 -8.766 526 HD2 HIS 68 HD2 HIS 68 10.809 6.425 -5.445 527 HE1 HIS 68 HE1 HIS 68 7.084 7.852 -6.795 528 H SER 69 HN SER 69 13.792 6.563 -7.909 529 HA SER 69 HA SER 69 15.492 5.934 -10.153 530 HB2 SER 69 HB2 SER 69 17.179 5.704 -8.145 531 HB3 SER 69 HB1 SER 69 16.615 7.296 -8.644 532 HG SER 69 HG SER 69 15.476 7.487 -6.853 533 H THR 70 HN THR 70 16.994 4.038 -10.008 534 HA THR 70 HA THR 70 15.565 1.636 -9.792 535 HB THR 70 HB THR 70 18.564 1.746 -9.608 536 HG1 THR 70 HG1 THR 70 16.987 2.139 -11.965 537 HG21 THR 70 HG21 THR 70 16.621 -0.098 -11.006 538 HG22 THR 70 HG22 THR 70 17.530 -0.451 -9.534 539 HG23 THR 70 HG23 THR 70 18.378 -0.239 -11.067 540 H ASP 71 HN ASP 71 17.770 3.268 -7.570 541 HA ASP 71 HA ASP 71 17.931 1.192 -5.657 542 HB2 ASP 71 HB2 ASP 71 19.510 3.102 -5.742 543 HB3 ASP 71 HB1 ASP 71 18.217 4.178 -5.218 544 H ALA 72 HN ALA 72 15.716 3.880 -6.103 545 HA ALA 72 HA ALA 72 14.339 3.691 -3.657 546 HB1 ALA 72 HB1 ALA 72 13.348 4.714 -6.314 547 HB2 ALA 72 HB2 ALA 72 14.202 5.656 -5.094 548 HB3 ALA 72 HB3 ALA 72 12.597 5.015 -4.750 549 H ARG 73 HN ARG 73 13.548 2.334 -6.871 550 HA ARG 73 HA ARG 73 11.178 1.066 -6.007 551 HB2 ARG 73 HB2 ARG 73 11.394 -0.300 -8.105 552 HB3 ARG 73 HB1 ARG 73 11.422 1.440 -8.343 553 HG2 ARG 73 HG2 ARG 73 13.239 1.130 -9.565 554 HG3 ARG 73 HG1 ARG 73 14.088 0.753 -8.065 555 HD2 ARG 73 HD2 ARG 73 14.481 -1.011 -9.645 556 HD3 ARG 73 HD1 ARG 73 13.444 -1.621 -8.355 557 HE ARG 73 HE ARG 73 12.046 -0.640 -10.687 558 HH11 ARG 73 HH11 ARG 73 13.492 -3.416 -9.058 559 HH12 ARG 73 HH12 ARG 73 12.522 -4.611 -10.016 560 HH21 ARG 73 HH21 ARG 73 10.793 -2.132 -11.899 561 HH22 ARG 73 HH22 ARG 73 11.020 -3.895 -11.590 562 H GLU 74 HN GLU 74 14.526 0.101 -5.871 563 HA GLU 74 HA GLU 74 13.932 -2.646 -5.250 564 HB2 GLU 74 HB2 GLU 74 16.474 -1.024 -5.088 565 HB3 GLU 74 HB1 GLU 74 16.387 -2.717 -4.612 566 HG2 GLU 74 HG2 GLU 74 15.938 -1.548 -7.350 567 HG3 GLU 74 HG1 GLU 74 17.242 -2.616 -6.829 568 H LEU 75 HN LEU 75 14.260 0.317 -3.496 569 HA LEU 75 HA LEU 75 14.769 -0.798 -0.938 570 HB2 LEU 75 HB2 LEU 75 15.234 1.532 -1.389 571 HB3 LEU 75 HB1 LEU 75 13.553 1.833 -1.783 572 HG LEU 75 HG LEU 75 12.924 1.443 0.552 573 HD11 LEU 75 HD11 LEU 75 14.685 1.249 2.266 574 HD12 LEU 75 HD12 LEU 75 15.876 1.042 0.983 575 HD13 LEU 75 HD13 LEU 75 14.601 -0.155 1.205 576 HD21 LEU 75 HD21 LEU 75 13.878 3.449 1.494 577 HD22 LEU 75 HD22 LEU 75 13.542 3.711 -0.219 578 HD23 LEU 75 HD23 LEU 75 15.194 3.412 0.322 579 H SER 76 HN SER 76 11.846 0.029 -2.723 580 HA SER 76 HA SER 76 10.038 -0.498 -0.614 581 HB2 SER 76 HB2 SER 76 8.559 -0.906 -2.867 582 HB3 SER 76 HB1 SER 76 8.912 0.683 -2.186 583 HG SER 76 HG SER 76 10.367 -0.660 -4.228 584 H LYS 77 HN LYS 77 11.942 -2.577 -2.447 585 HA LYS 77 HA LYS 77 10.220 -4.796 -2.770 586 HB2 LYS 77 HB2 LYS 77 12.438 -4.342 -3.925 587 HB3 LYS 77 HB1 LYS 77 13.216 -4.907 -2.454 588 HG2 LYS 77 HG2 LYS 77 12.093 -7.078 -2.718 589 HG3 LYS 77 HG1 LYS 77 11.363 -6.497 -4.217 590 HD2 LYS 77 HD2 LYS 77 13.673 -6.081 -5.085 591 HD3 LYS 77 HD1 LYS 77 14.297 -6.888 -3.646 592 HE2 LYS 77 HE2 LYS 77 13.158 -8.937 -4.256 593 HE3 LYS 77 HE1 LYS 77 12.406 -8.137 -5.639 594 HZ1 LYS 77 HZ1 LYS 77 15.324 -8.551 -5.266 595 HZ2 LYS 77 HZ2 LYS 77 14.593 -7.812 -6.600 596 HZ3 LYS 77 HZ3 LYS 77 14.329 -9.453 -6.295 597 H THR 78 HN THR 78 11.901 -3.551 -0.010 598 HA THR 78 HA THR 78 11.618 -6.106 1.379 599 HB THR 78 HB THR 78 13.763 -4.903 1.640 600 HG1 THR 78 HG1 THR 78 12.105 -5.310 3.914 601 HG21 THR 78 HG21 THR 78 13.004 -2.602 1.557 602 HG22 THR 78 HG22 THR 78 13.831 -2.892 3.090 603 HG23 THR 78 HG23 THR 78 12.068 -2.827 3.037 604 H PHE 79 HN PHE 79 9.566 -3.753 0.679 605 HA PHE 79 HA PHE 79 8.351 -3.640 3.356 606 HB2 PHE 79 HB2 PHE 79 7.746 -1.940 0.927 607 HB3 PHE 79 HB1 PHE 79 7.028 -1.753 2.520 608 HD1 PHE 79 HD2 PHE 79 9.615 -2.202 4.094 609 HD2 PHE 79 HD1 PHE 79 8.683 0.215 0.726 610 HE1 PHE 79 HE2 PHE 79 11.409 -0.646 4.721 611 HE2 PHE 79 HE1 PHE 79 10.480 1.778 1.349 612 HZ PHE 79 HZ PHE 79 11.847 1.348 3.349 613 H ILE 80 HN ILE 80 8.241 -5.569 0.798 614 HA ILE 80 HA ILE 80 5.447 -5.660 0.220 615 HB ILE 80 HB ILE 80 7.057 -6.432 -1.436 616 HG12 ILE 80 HG12 ILE 80 6.024 -8.688 -1.929 617 HG13 ILE 80 HG11 ILE 80 5.188 -8.560 -0.385 618 HG21 ILE 80 HG21 ILE 80 8.343 -8.459 -1.187 619 HG22 ILE 80 HG22 ILE 80 7.674 -8.721 0.425 620 HG23 ILE 80 HG23 ILE 80 8.735 -7.343 0.124 621 HD11 ILE 80 HD11 ILE 80 3.784 -7.910 -2.285 622 HD12 ILE 80 HD12 ILE 80 4.921 -6.615 -2.664 623 HD13 ILE 80 HD13 ILE 80 4.025 -6.585 -1.145 624 H ILE 81 HN ILE 81 3.908 -6.476 1.427 625 HA ILE 81 HA ILE 81 4.629 -8.541 3.398 626 HB ILE 81 HB ILE 81 2.528 -7.772 4.619 627 HG12 ILE 81 HG12 ILE 81 2.959 -5.265 2.980 628 HG13 ILE 81 HG11 ILE 81 1.668 -6.421 2.673 629 HG21 ILE 81 HG21 ILE 81 4.908 -5.932 4.415 630 HG22 ILE 81 HG22 ILE 81 4.751 -7.342 5.464 631 HG23 ILE 81 HG23 ILE 81 3.731 -5.928 5.729 632 HD11 ILE 81 HD11 ILE 81 0.681 -5.974 4.809 633 HD12 ILE 81 HD12 ILE 81 0.951 -4.448 3.969 634 HD13 ILE 81 HD13 ILE 81 2.037 -4.944 5.265 635 H GLY 82 HN GLY 82 2.556 -7.707 0.749 636 HA2 GLY 82 HA2 GLY 82 1.812 -10.323 0.226 637 HA3 GLY 82 HA1 GLY 82 0.539 -9.637 1.220 638 H GLU 83 HN GLU 83 -0.669 -10.212 -0.742 639 HA GLU 83 HA GLU 83 -0.725 -7.956 -2.625 640 HB2 GLU 83 HB2 GLU 83 -1.024 -10.893 -3.303 641 HB3 GLU 83 HB1 GLU 83 -1.420 -9.585 -4.406 642 HG2 GLU 83 HG2 GLU 83 0.979 -8.842 -4.185 643 HG3 GLU 83 HG1 GLU 83 1.277 -10.373 -3.360 644 H LEU 84 HN LEU 84 -2.940 -8.645 -4.042 645 HA LEU 84 HA LEU 84 -5.044 -8.778 -1.985 646 HB2 LEU 84 HB2 LEU 84 -5.028 -7.444 -4.698 647 HB3 LEU 84 HB1 LEU 84 -6.476 -7.650 -3.735 648 HG LEU 84 HG LEU 84 -5.864 -5.448 -3.318 649 HD11 LEU 84 HD11 LEU 84 -5.152 -5.330 -1.022 650 HD12 LEU 84 HD12 LEU 84 -4.502 -6.967 -1.108 651 HD13 LEU 84 HD13 LEU 84 -6.241 -6.700 -1.240 652 HD21 LEU 84 HD21 LEU 84 -3.704 -5.488 -4.437 653 HD22 LEU 84 HD22 LEU 84 -2.996 -6.339 -3.062 654 HD23 LEU 84 HD23 LEU 84 -3.586 -4.687 -2.869 655 H HIS 85 HN HIS 85 -7.033 -9.889 -2.637 656 HA HIS 85 HA HIS 85 -6.569 -12.449 -3.666 657 HB2 HIS 85 HB2 HIS 85 -9.181 -10.926 -3.487 658 HB3 HIS 85 HB1 HIS 85 -9.046 -12.650 -3.799 659 HD1 HIS 85 HD1 HIS 85 -9.641 -10.367 -1.162 660 HD2 HIS 85 HD2 HIS 85 -7.570 -13.959 -1.495 661 HE1 HIS 85 HE1 HIS 85 -9.469 -11.277 1.184 662 HE2 HIS 85 HE2 HIS 85 -8.351 -13.518 0.933 663 HA PRO 86 HA PRO 86 -6.638 -12.040 -8.071 664 HB2 PRO 86 HB2 PRO 86 -8.191 -14.237 -8.728 665 HB3 PRO 86 HB1 PRO 86 -6.455 -14.292 -8.400 666 HG2 PRO 86 HG2 PRO 86 -8.728 -14.964 -6.596 667 HG3 PRO 86 HG1 PRO 86 -7.143 -15.745 -6.754 668 HD2 PRO 86 HD2 PRO 86 -7.690 -14.098 -4.714 669 HD3 PRO 86 HD1 PRO 86 -6.077 -14.167 -5.454 670 H ASP 87 HN ASP 87 -9.664 -12.681 -6.392 671 HA ASP 87 HA ASP 87 -11.332 -11.714 -8.509 672 HB2 ASP 87 HB2 ASP 87 -12.100 -12.011 -5.602 673 HB3 ASP 87 HB1 ASP 87 -13.158 -12.055 -7.010 674 H ASP 88 HN ASP 88 -9.553 -10.299 -5.959 675 HA ASP 88 HA ASP 88 -11.115 -7.853 -5.855 676 HB2 ASP 88 HB2 ASP 88 -8.564 -8.726 -4.485 677 HB3 ASP 88 HB1 ASP 88 -9.196 -7.091 -4.346 678 H ARG 89 HN ARG 89 -8.809 -9.135 -7.897 679 HA ARG 89 HA ARG 89 -7.966 -6.435 -8.716 680 HB2 ARG 89 HB2 ARG 89 -6.311 -8.960 -8.710 681 HB3 ARG 89 HB1 ARG 89 -5.823 -7.465 -9.497 682 HG2 ARG 89 HG2 ARG 89 -6.025 -6.341 -7.258 683 HG3 ARG 89 HG1 ARG 89 -6.237 -7.946 -6.558 684 HD2 ARG 89 HD2 ARG 89 -3.862 -7.092 -8.205 685 HD3 ARG 89 HD1 ARG 89 -3.904 -7.108 -6.444 686 HE ARG 89 HE ARG 89 -4.608 -9.640 -7.531 687 HH11 ARG 89 HH11 ARG 89 -1.870 -7.541 -6.769 688 HH12 ARG 89 HH12 ARG 89 -0.708 -8.928 -6.665 689 HH21 ARG 89 HH21 ARG 89 -3.142 -11.405 -7.393 690 HH22 ARG 89 HH22 ARG 89 -1.411 -11.055 -7.019 691 H SER 90 HN SER 90 -8.964 -9.639 -9.789 692 HA SER 90 HA SER 90 -9.191 -8.516 -12.504 693 HB2 SER 90 HB2 SER 90 -8.969 -11.184 -13.005 694 HB3 SER 90 HB1 SER 90 -7.625 -10.047 -13.066 695 HG SER 90 HG SER 90 -8.327 -11.284 -10.633 696 H LYS 91 HN LYS 91 -11.282 -8.303 -10.737 697 HA LYS 91 HA LYS 91 -13.352 -9.632 -12.176 698 HB2 LYS 91 HB2 LYS 91 -12.548 -11.404 -10.540 699 HB3 LYS 91 HB1 LYS 91 -13.166 -10.375 -9.256 700 HG2 LYS 91 HG2 LYS 91 -15.410 -10.532 -10.175 701 HG3 LYS 91 HG1 LYS 91 -14.808 -11.513 -11.511 702 HD2 LYS 91 HD2 LYS 91 -14.553 -12.298 -8.615 703 HD3 LYS 91 HD1 LYS 91 -15.891 -12.802 -9.647 704 HE2 LYS 91 HE2 LYS 91 -12.987 -13.340 -10.251 705 HE3 LYS 91 HE1 LYS 91 -14.051 -14.478 -9.430 706 HZ1 LYS 91 HZ1 LYS 91 -13.871 -14.939 -11.797 707 HZ2 LYS 91 HZ2 LYS 91 -14.470 -13.409 -12.168 708 HZ3 LYS 91 HZ3 LYS 91 -15.457 -14.535 -11.383 709 H LEU 92 HN LEU 92 -12.952 -8.401 -8.850 710 HA LEU 92 HA LEU 92 -13.909 -6.692 -7.718 711 HB2 LEU 92 HB2 LEU 92 -13.992 -5.600 -10.511 712 HB3 LEU 92 HB1 LEU 92 -14.707 -4.705 -9.188 713 HG LEU 92 HG LEU 92 -12.570 -3.776 -9.452 714 HD11 LEU 92 HD11 LEU 92 -11.443 -4.213 -7.410 715 HD12 LEU 92 HD12 LEU 92 -12.141 -5.828 -7.298 716 HD13 LEU 92 HD13 LEU 92 -13.171 -4.407 -7.109 717 HD21 LEU 92 HD21 LEU 92 -11.458 -6.574 -9.566 718 HD22 LEU 92 HD22 LEU 92 -10.514 -5.087 -9.621 719 HD23 LEU 92 HD23 LEU 92 -11.634 -5.467 -10.927 720 H SER 93 HN SER 93 -15.560 -8.935 -8.633 721 HA SER 93 HA SER 93 -18.183 -7.700 -8.969 722 HB2 SER 93 HB2 SER 93 -17.463 -10.636 -8.963 723 HB3 SER 93 HB1 SER 93 -18.983 -9.916 -9.494 724 HG SER 93 HG SER 93 -17.637 -8.734 -11.061 725 H LYS 94 HN LYS 94 -17.745 -6.845 -6.721 726 HA LYS 94 HA LYS 94 -18.970 -8.665 -4.779 727 HB2 LYS 94 HB2 LYS 94 -16.487 -7.005 -4.366 728 HB3 LYS 94 HB1 LYS 94 -17.438 -7.643 -3.036 729 HG2 LYS 94 HG2 LYS 94 -16.785 -9.801 -3.415 730 HG3 LYS 94 HG1 LYS 94 -16.471 -9.520 -5.129 731 HD2 LYS 94 HD2 LYS 94 -14.393 -9.852 -3.861 732 HD3 LYS 94 HD1 LYS 94 -14.474 -8.242 -4.574 733 HE2 LYS 94 HE2 LYS 94 -15.599 -7.772 -2.167 734 HE3 LYS 94 HE1 LYS 94 -14.486 -9.074 -1.751 735 HZ1 LYS 94 HZ1 LYS 94 -13.393 -6.964 -1.475 736 HZ2 LYS 94 HZ2 LYS 94 -13.783 -6.504 -3.061 737 HZ3 LYS 94 HZ3 LYS 94 -12.693 -7.774 -2.797 738 HA PRO 95 HA PRO 95 -21.453 -5.113 -3.889 739 HB2 PRO 95 HB2 PRO 95 -22.245 -5.628 -1.361 740 HB3 PRO 95 HB1 PRO 95 -22.820 -6.578 -2.737 741 HG2 PRO 95 HG2 PRO 95 -20.689 -7.241 -0.760 742 HG3 PRO 95 HG1 PRO 95 -21.949 -8.285 -1.446 743 HD2 PRO 95 HD2 PRO 95 -19.377 -8.287 -2.330 744 HD3 PRO 95 HD1 PRO 95 -20.765 -8.690 -3.359 745 H MET 96 HN MET 96 -21.263 -3.075 -3.055 746 HA MET 96 HA MET 96 -18.908 -2.595 -1.375 747 HB2 MET 96 HB2 MET 96 -18.986 -1.417 -3.555 748 HB3 MET 96 HB1 MET 96 -20.474 -0.624 -3.058 749 HG2 MET 96 HG2 MET 96 -19.331 0.541 -1.299 750 HG3 MET 96 HG1 MET 96 -17.848 -0.351 -1.618 751 HE1 MET 96 HE1 MET 96 -20.463 2.088 -2.979 752 HE2 MET 96 HE2 MET 96 -20.244 1.201 -4.486 753 HE3 MET 96 HE3 MET 96 -19.676 2.867 -4.350 754 H GLU 97 HN GLU 97 -22.123 -1.150 -1.844 755 HA GLU 97 HA GLU 97 -23.696 -0.375 -0.416 756 HB2 GLU 97 HB2 GLU 97 -23.678 -2.598 0.542 757 HB3 GLU 97 HB1 GLU 97 -22.285 -2.199 1.532 758 HG2 GLU 97 HG2 GLU 97 -23.907 -0.330 2.443 759 HG3 GLU 97 HG1 GLU 97 -25.134 -1.468 1.879 760 H THR 98 HN THR 98 -23.302 1.763 -0.275 761 HA THR 98 HA THR 98 -21.988 2.699 2.130 762 HB THR 98 HB THR 98 -20.192 2.529 0.345 763 HG1 THR 98 HG1 THR 98 -19.263 4.138 1.379 764 HG21 THR 98 HG21 THR 98 -21.712 4.858 -0.843 765 HG22 THR 98 HG22 THR 98 -21.556 3.258 -1.566 766 HG23 THR 98 HG23 THR 98 -20.131 4.277 -1.366 767 H LEU 99 HN LEU 99 -22.119 5.187 2.192 768 HA LEU 99 HA LEU 99 -23.481 6.987 2.440 769 HB2 LEU 99 HB2 LEU 99 -24.112 6.280 -0.422 770 HB3 LEU 99 HB1 LEU 99 -24.588 7.781 0.346 771 HG LEU 99 HG LEU 99 -21.731 6.879 -0.017 772 HD11 LEU 99 HD11 LEU 99 -22.725 7.336 -2.165 773 HD12 LEU 99 HD12 LEU 99 -21.641 8.655 -1.726 774 HD13 LEU 99 HD13 LEU 99 -23.385 8.860 -1.572 775 HD21 LEU 99 HD21 LEU 99 -21.946 8.336 1.877 776 HD22 LEU 99 HD22 LEU 99 -22.955 9.456 0.960 777 HD23 LEU 99 HD23 LEU 99 -21.253 9.255 0.541 778 H ILE 100 HN ILE 100 -24.672 5.262 3.859 779 HA ILE 100 HA ILE 100 -27.494 5.284 3.009 780 HB ILE 100 HB ILE 100 -27.805 3.235 4.430 781 HG12 ILE 100 HG12 ILE 100 -24.781 3.162 4.316 782 HG13 ILE 100 HG11 ILE 100 -25.743 3.457 5.760 783 HG21 ILE 100 HG21 ILE 100 -25.958 2.987 2.058 784 HG22 ILE 100 HG22 ILE 100 -27.718 3.107 2.005 785 HG23 ILE 100 HG23 ILE 100 -26.952 1.689 2.727 786 HD11 ILE 100 HD11 ILE 100 -25.017 1.199 5.810 787 HD12 ILE 100 HD12 ILE 100 -25.575 0.922 4.159 788 HD13 ILE 100 HD13 ILE 100 -26.746 1.194 5.451 789 H THR 101 HN THR 101 -25.596 6.955 4.830 790 HA THR 101 HA THR 101 -27.578 7.336 6.927 791 HB THR 101 HB THR 101 -24.661 7.038 7.659 792 HG1 THR 101 HG1 THR 101 -26.705 5.119 7.433 793 HG21 THR 101 HG21 THR 101 -25.472 6.942 9.929 794 HG22 THR 101 HG22 THR 101 -27.146 6.983 9.374 795 HG23 THR 101 HG23 THR 101 -26.109 8.392 9.156 796 H THR 102 HN THR 102 -27.691 9.438 7.664 797 HA THR 102 HA THR 102 -26.404 11.435 6.062 798 HB THR 102 HB THR 102 -27.690 12.571 8.349 799 HG1 THR 102 HG1 THR 102 -29.134 11.064 8.741 800 HG21 THR 102 HG21 THR 102 -27.603 13.696 6.235 801 HG22 THR 102 HG22 THR 102 -29.297 13.357 6.590 802 HG23 THR 102 HG23 THR 102 -28.422 12.359 5.429 803 H VAL 103 HN VAL 103 -24.322 11.873 6.432 804 HA VAL 103 HA VAL 103 -23.353 11.921 9.200 805 HB VAL 103 HB VAL 103 -21.091 11.834 8.255 806 HG11 VAL 103 HG11 VAL 103 -22.898 9.705 7.122 807 HG12 VAL 103 HG12 VAL 103 -22.276 9.757 8.771 808 HG13 VAL 103 HG13 VAL 103 -21.164 9.555 7.417 809 HG21 VAL 103 HG21 VAL 103 -20.749 11.446 5.852 810 HG22 VAL 103 HG22 VAL 103 -21.476 13.021 6.158 811 HG23 VAL 103 HG23 VAL 103 -22.470 11.691 5.570 812 H ASP 104 HN ASP 104 -24.847 14.025 7.501 813 HA ASP 104 HA ASP 104 -23.237 16.257 8.431 814 HB2 ASP 104 HB2 ASP 104 -23.109 17.391 6.390 815 HB3 ASP 104 HB1 ASP 104 -22.751 15.729 5.939 816 HHB HEM 400 HB HEM 400 12.011 5.320 -2.083 817 HHC HEM 400 HC HEM 400 5.727 5.003 -2.725 818 HHD HEM 400 HD HEM 400 5.647 10.966 -4.853 819 HMA HEM 400 HMA1 HEM 400 13.837 6.124 -1.717 820 HMAA HEM 400 HMA2 HEM 400 14.789 7.578 -1.788 821 HMAB HEM 400 HMA3 HEM 400 14.799 6.527 -3.183 822 HAA HEM 400 HAA1 HEM 400 14.648 10.063 -2.764 823 HAAA HEM 400 HAA2 HEM 400 13.895 10.656 -4.235 824 HBA HEM 400 HBA1 HEM 400 15.045 8.003 -4.617 825 HBAA HEM 400 HBA2 HEM 400 16.246 9.176 -4.080 826 HMB HEM 400 HMB1 HEM 400 10.796 2.541 -2.235 827 HMBA HEM 400 HMB2 HEM 400 9.912 2.587 -0.705 828 HMBB HEM 400 HMB3 HEM 400 11.315 3.631 -0.960 829 HAB HEM 400 HAB HEM 400 6.817 2.565 -2.554 830 HBB HEM 400 HBB1 HEM 400 7.791 2.945 0.391 831 HBBA HEM 400 HBB2 HEM 400 6.568 1.642 -0.316 832 HMC HEM 400 HMC1 HEM 400 2.608 6.878 -3.827 833 HMCA HEM 400 HMC2 HEM 400 3.396 6.171 -2.414 834 HMCB HEM 400 HMC3 HEM 400 3.650 5.483 -4.019 835 HAC HEM 400 HAC HEM 400 3.469 9.891 -5.351 836 HBC HEM 400 HBC1 HEM 400 2.262 8.868 -2.654 837 HBCA HEM 400 HBC2 HEM 400 1.462 10.020 -3.967 838 HMD HEM 400 HMD1 HEM 400 6.975 13.746 -4.609 839 HMDA HEM 400 HMD2 HEM 400 6.311 12.719 -5.884 840 HMDB HEM 400 HMD3 HEM 400 7.717 13.744 -6.198 841 HAD HEM 400 HAD1 HEM 400 9.830 14.138 -5.068 842 HADA HEM 400 HAD2 HEM 400 11.251 13.168 -4.723 843 HBD HEM 400 HBD1 HEM 400 10.166 12.500 -7.329 844 HBDA HEM 400 HBD2 HEM 400 11.783 13.064 -6.905 845 HHA HEM 400 HA HEM 400 11.964 11.190 -4.454 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 20.868 -12.481 17.583 2 H2 MET 1 HT2 MET 1 21.478 -12.686 19.143 3 H3 MET 1 HT3 MET 1 20.818 -11.199 18.682 4 HA MET 1 HA MET 1 19.387 -13.760 19.032 5 HB2 MET 1 HB2 MET 1 19.198 -11.110 20.484 6 HB3 MET 1 HB1 MET 1 18.107 -12.464 20.735 7 HG2 MET 1 HG2 MET 1 19.602 -12.635 22.490 8 HG3 MET 1 HG1 MET 1 20.207 -13.806 21.320 9 HE1 MET 1 HE1 MET 1 23.554 -12.565 22.846 10 HE2 MET 1 HE2 MET 1 22.532 -13.948 22.459 11 HE3 MET 1 HE3 MET 1 22.038 -12.815 23.717 12 H ALA 2 HN ALA 2 18.935 -10.288 18.337 13 HA ALA 2 HA ALA 2 16.391 -10.857 17.063 14 HB1 ALA 2 HB1 ALA 2 16.694 -8.859 18.503 15 HB2 ALA 2 HB2 ALA 2 16.134 -8.473 16.875 16 HB3 ALA 2 HB3 ALA 2 17.824 -8.216 17.309 17 H ALA 3 HN ALA 3 17.318 -12.199 15.389 18 HA ALA 3 HA ALA 3 18.126 -10.598 13.075 19 HB1 ALA 3 HB1 ALA 3 20.184 -11.517 14.107 20 HB2 ALA 3 HB2 ALA 3 19.895 -12.121 12.474 21 HB3 ALA 3 HB3 ALA 3 19.537 -13.142 13.866 22 H GLN 4 HN GLN 4 16.322 -10.912 11.885 23 HA GLN 4 HA GLN 4 15.842 -13.568 10.846 24 HB2 GLN 4 HB2 GLN 4 13.346 -13.351 11.337 25 HB3 GLN 4 HB1 GLN 4 14.385 -13.797 12.681 26 HG2 GLN 4 HG2 GLN 4 14.048 -11.844 13.776 27 HG3 GLN 4 HG1 GLN 4 13.824 -10.918 12.294 28 HE21 GLN 4 HE21 GLN 4 11.993 -9.928 13.161 29 HE22 GLN 4 HE22 GLN 4 10.480 -10.766 13.274 30 H SER 5 HN SER 5 14.793 -13.563 8.880 31 HA SER 5 HA SER 5 13.753 -11.046 7.828 32 HB2 SER 5 HB2 SER 5 15.918 -12.673 6.456 33 HB3 SER 5 HB1 SER 5 15.095 -11.278 5.757 34 HG SER 5 HG SER 5 16.099 -10.718 8.221 35 H ASP 6 HN ASP 6 11.701 -11.766 7.559 36 HA ASP 6 HA ASP 6 11.291 -14.347 6.226 37 HB2 ASP 6 HB2 ASP 6 9.727 -12.727 8.139 38 HB3 ASP 6 HB1 ASP 6 8.793 -13.567 6.906 39 H LYS 7 HN LYS 7 10.672 -14.455 4.191 40 HA LYS 7 HA LYS 7 9.525 -12.045 2.934 41 HB2 LYS 7 HB2 LYS 7 11.335 -14.091 1.629 42 HB3 LYS 7 HB1 LYS 7 10.640 -12.681 0.844 43 HG2 LYS 7 HG2 LYS 7 12.635 -12.650 3.099 44 HG3 LYS 7 HG1 LYS 7 12.971 -12.307 1.400 45 HD2 LYS 7 HD2 LYS 7 11.571 -10.351 1.467 46 HD3 LYS 7 HD1 LYS 7 11.041 -10.739 3.104 47 HE2 LYS 7 HE2 LYS 7 13.312 -10.413 3.929 48 HE3 LYS 7 HE1 LYS 7 13.869 -10.067 2.293 49 HZ1 LYS 7 HZ1 LYS 7 12.439 -8.126 2.257 50 HZ2 LYS 7 HZ2 LYS 7 13.515 -8.043 3.558 51 HZ3 LYS 7 HZ3 LYS 7 11.898 -8.460 3.825 52 H ASP 8 HN ASP 8 7.408 -12.547 2.895 53 HA ASP 8 HA ASP 8 6.607 -14.914 1.373 54 HB2 ASP 8 HB2 ASP 8 6.491 -15.549 3.758 55 HB3 ASP 8 HB1 ASP 8 5.445 -14.171 4.072 56 H VAL 9 HN VAL 9 4.475 -14.722 0.462 57 HA VAL 9 HA VAL 9 3.605 -11.918 0.277 58 HB VAL 9 HB VAL 9 4.354 -12.584 -1.871 59 HG11 VAL 9 HG11 VAL 9 2.720 -15.083 -1.511 60 HG12 VAL 9 HG12 VAL 9 4.473 -14.953 -1.644 61 HG13 VAL 9 HG13 VAL 9 3.451 -14.593 -3.037 62 HG21 VAL 9 HG21 VAL 9 2.352 -11.314 -2.039 63 HG22 VAL 9 HG22 VAL 9 1.350 -12.727 -1.711 64 HG23 VAL 9 HG23 VAL 9 2.244 -12.610 -3.227 65 H LYS 10 HN LYS 10 2.036 -11.722 1.745 66 HA LYS 10 HA LYS 10 0.024 -13.815 2.021 67 HB2 LYS 10 HB2 LYS 10 0.962 -12.838 4.059 68 HB3 LYS 10 HB1 LYS 10 0.434 -11.239 3.552 69 HG2 LYS 10 HG2 LYS 10 -1.821 -11.743 3.905 70 HG3 LYS 10 HG1 LYS 10 -1.514 -13.482 3.944 71 HD2 LYS 10 HD2 LYS 10 -0.284 -11.654 5.978 72 HD3 LYS 10 HD1 LYS 10 -1.937 -12.241 6.171 73 HE2 LYS 10 HE2 LYS 10 0.473 -14.008 5.777 74 HE3 LYS 10 HE1 LYS 10 -0.233 -13.623 7.344 75 HZ1 LYS 10 HZ1 LYS 10 -1.065 -15.721 6.633 76 HZ2 LYS 10 HZ2 LYS 10 -1.521 -15.114 5.123 77 HZ3 LYS 10 HZ3 LYS 10 -2.336 -14.612 6.517 78 H TYR 11 HN TYR 11 -1.896 -13.733 1.047 79 HA TYR 11 HA TYR 11 -2.550 -11.466 -0.602 80 HB2 TYR 11 HB2 TYR 11 -3.975 -14.085 -0.108 81 HB3 TYR 11 HB1 TYR 11 -4.539 -12.857 -1.236 82 HD1 TYR 11 HD1 TYR 11 -3.219 -12.335 -3.265 83 HD2 TYR 11 HD2 TYR 11 -2.147 -15.528 -0.655 84 HE1 TYR 11 HE1 TYR 11 -1.770 -13.273 -5.018 85 HE2 TYR 11 HE2 TYR 11 -0.695 -16.471 -2.402 86 HH TYR 11 HH TYR 11 0.516 -14.999 -4.782 87 H TYR 12 HN TYR 12 -3.597 -9.758 0.091 88 HA TYR 12 HA TYR 12 -5.275 -9.982 2.485 89 HB2 TYR 12 HB2 TYR 12 -3.925 -7.635 1.158 90 HB3 TYR 12 HB1 TYR 12 -5.134 -7.435 2.421 91 HD1 TYR 12 HD2 TYR 12 -4.683 -8.347 4.702 92 HD2 TYR 12 HD1 TYR 12 -1.683 -8.220 1.687 93 HE1 TYR 12 HE2 TYR 12 -2.950 -8.620 6.423 94 HE2 TYR 12 HE1 TYR 12 0.058 -8.495 3.403 95 HH TYR 12 HH TYR 12 -0.758 -9.179 6.739 96 H THR 13 HN THR 13 -7.196 -8.509 2.513 97 HA THR 13 HA THR 13 -8.710 -8.872 0.035 98 HB THR 13 HB THR 13 -10.000 -7.927 2.554 99 HG1 THR 13 HG1 THR 13 -9.695 -9.791 3.600 100 HG21 THR 13 HG21 THR 13 -11.768 -9.466 1.821 101 HG22 THR 13 HG22 THR 13 -10.755 -9.986 0.475 102 HG23 THR 13 HG23 THR 13 -11.339 -8.325 0.545 103 H LEU 14 HN LEU 14 -9.980 -7.150 -0.836 104 HA LEU 14 HA LEU 14 -8.754 -4.661 -1.004 105 HB2 LEU 14 HB2 LEU 14 -10.383 -5.573 -2.630 106 HB3 LEU 14 HB1 LEU 14 -11.669 -5.289 -1.474 107 HG LEU 14 HG LEU 14 -11.132 -2.850 -1.566 108 HD11 LEU 14 HD11 LEU 14 -9.808 -2.075 -3.514 109 HD12 LEU 14 HD12 LEU 14 -9.320 -3.745 -3.804 110 HD13 LEU 14 HD13 LEU 14 -8.847 -2.935 -2.311 111 HD21 LEU 14 HD21 LEU 14 -11.832 -4.118 -4.210 112 HD22 LEU 14 HD22 LEU 14 -12.218 -2.475 -3.698 113 HD23 LEU 14 HD23 LEU 14 -12.954 -3.848 -2.875 114 H GLU 15 HN GLU 15 -11.577 -5.612 0.937 115 HA GLU 15 HA GLU 15 -11.794 -3.019 2.160 116 HB2 GLU 15 HB2 GLU 15 -13.446 -4.240 3.666 117 HB3 GLU 15 HB1 GLU 15 -13.827 -4.190 1.949 118 HG2 GLU 15 HG2 GLU 15 -12.282 -6.527 2.863 119 HG3 GLU 15 HG1 GLU 15 -13.944 -6.413 3.444 120 H GLU 16 HN GLU 16 -9.511 -5.284 2.553 121 HA GLU 16 HA GLU 16 -9.352 -5.084 5.469 122 HB2 GLU 16 HB2 GLU 16 -9.057 -7.302 4.437 123 HB3 GLU 16 HB1 GLU 16 -7.687 -6.693 3.522 124 HG2 GLU 16 HG2 GLU 16 -6.839 -7.927 5.362 125 HG3 GLU 16 HG1 GLU 16 -6.540 -6.219 5.680 126 H ILE 17 HN ILE 17 -7.608 -4.211 2.536 127 HA ILE 17 HA ILE 17 -5.385 -3.087 3.934 128 HB ILE 17 HB ILE 17 -4.856 -2.035 1.667 129 HG12 ILE 17 HG12 ILE 17 -6.165 -3.702 -0.066 130 HG13 ILE 17 HG11 ILE 17 -7.440 -3.329 1.088 131 HG21 ILE 17 HG21 ILE 17 -4.135 -4.222 0.736 132 HG22 ILE 17 HG22 ILE 17 -5.093 -5.020 1.984 133 HG23 ILE 17 HG23 ILE 17 -3.727 -4.002 2.437 134 HD11 ILE 17 HD11 ILE 17 -7.303 -1.839 -0.927 135 HD12 ILE 17 HD12 ILE 17 -5.793 -1.214 -0.261 136 HD13 ILE 17 HD13 ILE 17 -7.299 -1.018 0.633 137 H LYS 18 HN LYS 18 -8.295 -1.709 2.431 138 HA LYS 18 HA LYS 18 -7.476 0.976 3.077 139 HB2 LYS 18 HB2 LYS 18 -9.588 1.681 2.130 140 HB3 LYS 18 HB1 LYS 18 -8.823 0.513 1.067 141 HG2 LYS 18 HG2 LYS 18 -10.340 -1.191 1.698 142 HG3 LYS 18 HG1 LYS 18 -10.966 -0.229 3.040 143 HD2 LYS 18 HD2 LYS 18 -12.538 -0.188 1.194 144 HD3 LYS 18 HD1 LYS 18 -11.834 1.415 1.414 145 HE2 LYS 18 HE2 LYS 18 -10.117 0.211 -0.374 146 HE3 LYS 18 HE1 LYS 18 -11.695 -0.398 -0.863 147 HZ1 LYS 18 HZ1 LYS 18 -11.260 2.484 -0.383 148 HZ2 LYS 18 HZ2 LYS 18 -12.471 1.734 -1.294 149 HZ3 LYS 18 HZ3 LYS 18 -10.881 1.778 -1.873 150 H LYS 19 HN LYS 19 -8.250 -1.326 5.064 151 HA LYS 19 HA LYS 19 -9.864 0.393 6.826 152 HB2 LYS 19 HB2 LYS 19 -10.802 -1.896 5.999 153 HB3 LYS 19 HB1 LYS 19 -9.664 -2.592 7.143 154 HG2 LYS 19 HG2 LYS 19 -11.781 -2.449 8.209 155 HG3 LYS 19 HG1 LYS 19 -10.734 -1.226 8.931 156 HD2 LYS 19 HD2 LYS 19 -12.341 0.262 8.504 157 HD3 LYS 19 HD1 LYS 19 -11.967 0.065 6.791 158 HE2 LYS 19 HE2 LYS 19 -13.615 -1.705 6.609 159 HE3 LYS 19 HE1 LYS 19 -13.952 -1.599 8.337 160 HZ1 LYS 19 HZ1 LYS 19 -15.622 -0.430 7.049 161 HZ2 LYS 19 HZ2 LYS 19 -14.442 0.546 6.339 162 HZ3 LYS 19 HZ3 LYS 19 -14.748 0.664 7.996 163 H HIS 20 HN HIS 20 -6.837 -0.423 6.232 164 HA HIS 20 HA HIS 20 -6.074 -0.775 9.055 165 HB2 HIS 20 HB2 HIS 20 -4.947 -1.779 6.508 166 HB3 HIS 20 HB1 HIS 20 -3.769 -1.249 7.701 167 HD1 HIS 20 HD1 HIS 20 -6.454 -3.827 7.149 168 HD2 HIS 20 HD2 HIS 20 -3.431 -2.942 9.861 169 HE1 HIS 20 HE1 HIS 20 -6.266 -5.844 8.640 170 HE2 HIS 20 HE2 HIS 20 -4.291 -5.366 10.118 171 H ASN 21 HN ASN 21 -6.230 1.461 6.579 172 HA ASN 21 HA ASN 21 -3.834 2.913 7.037 173 HB2 ASN 21 HB2 ASN 21 -4.937 4.703 5.704 174 HB3 ASN 21 HB1 ASN 21 -4.935 3.135 4.912 175 HD21 ASN 21 HD21 ASN 21 -6.628 5.276 4.248 176 HD22 ASN 21 HD22 ASN 21 -8.257 4.799 4.577 177 H HIS 22 HN HIS 22 -3.793 3.080 9.326 178 HA HIS 22 HA HIS 22 -5.552 5.207 10.363 179 HB2 HIS 22 HB2 HIS 22 -4.319 2.924 11.918 180 HB3 HIS 22 HB1 HIS 22 -5.300 4.209 12.604 181 HD1 HIS 22 HD1 HIS 22 -5.871 1.017 12.512 182 HD2 HIS 22 HD2 HIS 22 -7.710 4.003 10.280 183 HE1 HIS 22 HE1 HIS 22 -8.101 0.074 11.828 184 HE2 HIS 22 HE2 HIS 22 -9.155 1.861 10.396 185 H SER 23 HN SER 23 -2.623 3.701 11.675 186 HA SER 23 HA SER 23 -1.077 6.110 11.205 187 HB2 SER 23 HB2 SER 23 -0.474 6.007 13.773 188 HB3 SER 23 HB1 SER 23 -1.896 6.891 13.220 189 HG SER 23 HG SER 23 -3.109 5.547 14.281 190 H LYS 24 HN LYS 24 -1.160 2.984 12.914 191 HA LYS 24 HA LYS 24 1.666 2.618 12.193 192 HB2 LYS 24 HB2 LYS 24 1.617 0.836 13.983 193 HB3 LYS 24 HB1 LYS 24 1.439 2.491 14.545 194 HG2 LYS 24 HG2 LYS 24 -1.008 2.136 14.664 195 HG3 LYS 24 HG1 LYS 24 -0.749 0.448 14.221 196 HD2 LYS 24 HD2 LYS 24 0.544 0.064 16.209 197 HD3 LYS 24 HD1 LYS 24 0.496 1.780 16.619 198 HE2 LYS 24 HE2 LYS 24 -1.989 1.589 16.769 199 HE3 LYS 24 HE1 LYS 24 -1.812 -0.152 16.561 200 HZ1 LYS 24 HZ1 LYS 24 -0.417 -0.178 18.563 201 HZ2 LYS 24 HZ2 LYS 24 -1.985 0.372 18.882 202 HZ3 LYS 24 HZ3 LYS 24 -0.708 1.472 18.781 203 H SER 25 HN SER 25 -0.666 2.135 10.462 204 HA SER 25 HA SER 25 0.125 -0.471 9.511 205 HB2 SER 25 HB2 SER 25 -2.784 0.023 10.211 206 HB3 SER 25 HB1 SER 25 -2.120 -1.432 9.475 207 HG SER 25 HG SER 25 -0.726 -1.080 11.646 208 H THR 26 HN THR 26 0.174 2.349 8.710 209 HA THR 26 HA THR 26 -1.758 2.765 6.653 210 HB THR 26 HB THR 26 0.893 4.163 6.752 211 HG1 THR 26 HG1 THR 26 0.432 4.516 8.810 212 HG21 THR 26 HG21 THR 26 -0.459 6.092 6.087 213 HG22 THR 26 HG22 THR 26 -1.926 5.120 6.196 214 HG23 THR 26 HG23 THR 26 -0.709 4.746 4.978 215 H TRP 27 HN TRP 27 -1.736 1.149 5.167 216 HA TRP 27 HA TRP 27 0.783 0.436 3.882 217 HB2 TRP 27 HB2 TRP 27 -1.972 -0.801 3.713 218 HB3 TRP 27 HB1 TRP 27 -0.570 -1.375 2.816 219 HD1 TRP 27 HD1 TRP 27 1.332 -0.823 5.565 220 HE1 TRP 27 HE1 TRP 27 1.299 -2.691 7.333 221 HE3 TRP 27 HE3 TRP 27 -2.976 -3.178 4.164 222 HZ2 TRP 27 HZ2 TRP 27 -0.343 -4.880 8.038 223 HZ3 TRP 27 HZ3 TRP 27 -3.710 -5.154 5.435 224 HH2 TRP 27 HH2 TRP 27 -2.418 -5.985 7.333 225 H LEU 28 HN LEU 28 1.152 0.626 1.719 226 HA LEU 28 HA LEU 28 -0.738 2.318 0.217 227 HB2 LEU 28 HB2 LEU 28 2.167 2.512 0.642 228 HB3 LEU 28 HB1 LEU 28 1.662 2.701 -1.025 229 HG LEU 28 HG LEU 28 0.169 4.303 0.964 230 HD11 LEU 28 HD11 LEU 28 2.372 4.553 1.882 231 HD12 LEU 28 HD12 LEU 28 1.954 6.023 1.002 232 HD13 LEU 28 HD13 LEU 28 3.053 4.845 0.280 233 HD21 LEU 28 HD21 LEU 28 0.377 5.992 -0.814 234 HD22 LEU 28 HD22 LEU 28 -0.308 4.480 -1.404 235 HD23 LEU 28 HD23 LEU 28 1.375 4.872 -1.740 236 H ILE 29 HN ILE 29 -1.095 1.777 -1.940 237 HA ILE 29 HA ILE 29 -0.136 -0.901 -2.659 238 HB ILE 29 HB ILE 29 -2.621 0.567 -3.536 239 HG12 ILE 29 HG12 ILE 29 -2.201 -1.972 -1.948 240 HG13 ILE 29 HG11 ILE 29 -2.773 -0.433 -1.314 241 HG21 ILE 29 HG21 ILE 29 -3.178 -1.444 -4.835 242 HG22 ILE 29 HG22 ILE 29 -1.592 -2.115 -4.456 243 HG23 ILE 29 HG23 ILE 29 -1.717 -0.654 -5.435 244 HD11 ILE 29 HD11 ILE 29 -4.218 -2.094 -3.365 245 HD12 ILE 29 HD12 ILE 29 -4.802 -0.617 -2.601 246 HD13 ILE 29 HD13 ILE 29 -4.571 -2.076 -1.638 247 H LEU 30 HN LEU 30 1.290 -1.071 -4.205 248 HA LEU 30 HA LEU 30 1.343 0.920 -6.369 249 HB2 LEU 30 HB2 LEU 30 3.778 -0.301 -5.065 250 HB3 LEU 30 HB1 LEU 30 3.780 0.840 -6.394 251 HG LEU 30 HG LEU 30 2.729 1.500 -3.645 252 HD11 LEU 30 HD11 LEU 30 4.856 2.687 -3.324 253 HD12 LEU 30 HD12 LEU 30 5.446 2.011 -4.844 254 HD13 LEU 30 HD13 LEU 30 5.081 0.946 -3.488 255 HD21 LEU 30 HD21 LEU 30 3.565 3.282 -5.932 256 HD22 LEU 30 HD22 LEU 30 2.855 3.783 -4.396 257 HD23 LEU 30 HD23 LEU 30 1.898 2.856 -5.550 258 H HIS 31 HN HIS 31 1.210 -0.008 -8.314 259 HA HIS 31 HA HIS 31 1.175 -1.579 -9.959 260 HB2 HIS 31 HB2 HIS 31 3.334 -2.718 -8.200 261 HB3 HIS 31 HB1 HIS 31 2.743 -3.630 -9.583 262 HD1 HIS 31 HD1 HIS 31 4.272 -3.372 -11.484 263 HD2 HIS 31 HD2 HIS 31 4.006 0.131 -9.263 264 HE1 HIS 31 HE1 HIS 31 5.791 -1.733 -12.630 265 HE2 HIS 31 HE2 HIS 31 5.763 0.312 -11.161 266 H HIS 32 HN HIS 32 -0.568 -1.588 -7.642 267 HA HIS 32 HA HIS 32 -2.314 -2.734 -6.801 268 HB2 HIS 32 HB2 HIS 32 -1.646 -4.634 -9.046 269 HB3 HIS 32 HB1 HIS 32 -3.054 -4.818 -8.006 270 HD1 HIS 32 HD1 HIS 32 -2.632 -3.900 -11.223 271 HD2 HIS 32 HD2 HIS 32 -4.165 -1.766 -8.002 272 HE1 HIS 32 HE1 HIS 32 -4.049 -2.080 -12.229 273 HE2 HIS 32 HE2 HIS 32 -4.864 -0.728 -10.265 274 H LYS 33 HN LYS 33 0.372 -3.129 -5.765 275 HA LYS 33 HA LYS 33 -0.043 -5.720 -4.424 276 HB2 LYS 33 HB2 LYS 33 2.609 -4.351 -4.934 277 HB3 LYS 33 HB1 LYS 33 2.377 -5.908 -4.152 278 HG2 LYS 33 HG2 LYS 33 1.268 -6.617 -6.353 279 HG3 LYS 33 HG1 LYS 33 2.027 -5.175 -7.031 280 HD2 LYS 33 HD2 LYS 33 4.216 -5.979 -6.393 281 HD3 LYS 33 HD1 LYS 33 3.503 -7.371 -5.575 282 HE2 LYS 33 HE2 LYS 33 2.451 -7.846 -7.903 283 HE3 LYS 33 HE1 LYS 33 3.734 -6.794 -8.495 284 HZ1 LYS 33 HZ1 LYS 33 5.342 -8.250 -7.358 285 HZ2 LYS 33 HZ2 LYS 33 4.469 -9.057 -8.558 286 HZ3 LYS 33 HZ3 LYS 33 4.076 -9.291 -6.932 287 H VAL 34 HN VAL 34 0.701 -5.762 -2.149 288 HA VAL 34 HA VAL 34 0.074 -3.196 -0.883 289 HB VAL 34 HB VAL 34 0.297 -5.896 0.454 290 HG11 VAL 34 HG11 VAL 34 -1.053 -4.834 2.218 291 HG12 VAL 34 HG12 VAL 34 -0.994 -3.310 1.333 292 HG13 VAL 34 HG13 VAL 34 0.489 -4.011 1.983 293 HG21 VAL 34 HG21 VAL 34 -1.422 -6.000 -1.262 294 HG22 VAL 34 HG22 VAL 34 -2.153 -4.519 -0.646 295 HG23 VAL 34 HG23 VAL 34 -2.159 -5.980 0.341 296 H TYR 35 HN TYR 35 1.649 -1.952 -0.157 297 HA TYR 35 HA TYR 35 4.168 -3.210 0.732 298 HB2 TYR 35 HB2 TYR 35 3.748 -0.474 -0.498 299 HB3 TYR 35 HB1 TYR 35 5.276 -1.060 0.142 300 HD1 TYR 35 HD1 TYR 35 2.790 -1.485 -2.537 301 HD2 TYR 35 HD2 TYR 35 6.657 -2.539 -1.119 302 HE1 TYR 35 HE1 TYR 35 3.329 -2.431 -4.737 303 HE2 TYR 35 HE2 TYR 35 7.212 -3.486 -3.320 304 HH TYR 35 HH TYR 35 5.132 -3.042 -6.081 305 H ASP 36 HN ASP 36 4.668 -2.941 2.815 306 HA ASP 36 HA ASP 36 3.112 -1.011 4.375 307 HB2 ASP 36 HB2 ASP 36 3.039 -3.214 5.315 308 HB3 ASP 36 HB1 ASP 36 4.789 -3.380 5.213 309 H LEU 37 HN LEU 37 3.959 0.861 4.698 310 HA LEU 37 HA LEU 37 6.747 1.092 5.492 311 HB2 LEU 37 HB2 LEU 37 7.226 2.884 3.961 312 HB3 LEU 37 HB1 LEU 37 6.679 1.499 3.039 313 HG LEU 37 HG LEU 37 4.666 3.566 3.778 314 HD11 LEU 37 HD11 LEU 37 6.698 3.888 1.577 315 HD12 LEU 37 HD12 LEU 37 6.541 4.903 3.008 316 HD13 LEU 37 HD13 LEU 37 5.261 4.885 1.796 317 HD21 LEU 37 HD21 LEU 37 3.927 2.969 1.434 318 HD22 LEU 37 HD22 LEU 37 3.817 1.683 2.635 319 HD23 LEU 37 HD23 LEU 37 5.146 1.696 1.475 320 H THR 38 HN THR 38 4.182 1.173 6.795 321 HA THR 38 HA THR 38 3.213 3.745 7.272 322 HB THR 38 HB THR 38 2.120 1.568 7.913 323 HG1 THR 38 HG1 THR 38 2.314 3.591 9.924 324 HG21 THR 38 HG21 THR 38 3.953 1.796 10.303 325 HG22 THR 38 HG22 THR 38 4.012 0.537 9.067 326 HG23 THR 38 HG23 THR 38 2.612 0.661 10.134 327 H LYS 39 HN LYS 39 6.108 2.263 8.402 328 HA LYS 39 HA LYS 39 6.440 4.347 10.441 329 HB2 LYS 39 HB2 LYS 39 7.497 1.603 10.095 330 HB3 LYS 39 HB1 LYS 39 8.591 2.777 10.813 331 HG2 LYS 39 HG2 LYS 39 5.812 2.223 11.834 332 HG3 LYS 39 HG1 LYS 39 7.272 1.451 12.452 333 HD2 LYS 39 HD2 LYS 39 8.182 3.632 13.065 334 HD3 LYS 39 HD1 LYS 39 6.739 4.418 12.424 335 HE2 LYS 39 HE2 LYS 39 5.386 3.158 14.074 336 HE3 LYS 39 HE1 LYS 39 6.879 2.514 14.755 337 HZ1 LYS 39 HZ1 LYS 39 6.176 5.388 14.589 338 HZ2 LYS 39 HZ2 LYS 39 7.580 4.754 15.278 339 HZ3 LYS 39 HZ3 LYS 39 6.075 4.443 15.986 340 H PHE 40 HN PHE 40 7.082 3.908 7.280 341 HA PHE 40 HA PHE 40 9.682 5.288 7.406 342 HB2 PHE 40 HB2 PHE 40 8.470 3.720 5.126 343 HB3 PHE 40 HB1 PHE 40 10.041 4.507 5.101 344 HD1 PHE 40 HD1 PHE 40 8.090 1.865 6.833 345 HD2 PHE 40 HD2 PHE 40 11.940 3.367 5.821 346 HE1 PHE 40 HE1 PHE 40 9.116 -0.202 7.684 347 HE2 PHE 40 HE2 PHE 40 12.972 1.303 6.674 348 HZ PHE 40 HZ PHE 40 11.566 -0.485 7.605 349 H LEU 41 HN LEU 41 6.533 5.979 7.154 350 HA LEU 41 HA LEU 41 6.203 7.534 4.864 351 HB2 LEU 41 HB2 LEU 41 5.000 8.055 7.584 352 HB3 LEU 41 HB1 LEU 41 4.391 8.644 6.051 353 HG LEU 41 HG LEU 41 4.523 5.724 6.809 354 HD11 LEU 41 HD11 LEU 41 2.975 6.875 8.271 355 HD12 LEU 41 HD12 LEU 41 2.084 5.910 7.094 356 HD13 LEU 41 HD13 LEU 41 2.211 7.656 6.886 357 HD21 LEU 41 HD21 LEU 41 3.151 7.155 4.536 358 HD22 LEU 41 HD22 LEU 41 3.000 5.437 4.911 359 HD23 LEU 41 HD23 LEU 41 4.558 6.097 4.405 360 H GLU 42 HN GLU 42 7.453 8.401 8.049 361 HA GLU 42 HA GLU 42 7.819 11.161 7.453 362 HB2 GLU 42 HB2 GLU 42 9.206 11.119 9.552 363 HB3 GLU 42 HB1 GLU 42 7.556 10.543 9.735 364 HG2 GLU 42 HG2 GLU 42 8.318 8.248 9.700 365 HG3 GLU 42 HG1 GLU 42 9.972 8.783 9.406 366 H GLU 43 HN GLU 43 9.700 8.311 6.938 367 HA GLU 43 HA GLU 43 12.220 9.669 6.614 368 HB2 GLU 43 HB2 GLU 43 11.421 6.852 5.861 369 HB3 GLU 43 HB1 GLU 43 13.065 7.472 5.921 370 HG2 GLU 43 HG2 GLU 43 12.544 7.979 8.389 371 HG3 GLU 43 HG1 GLU 43 11.188 6.874 8.170 372 H HIS 44 HN HIS 44 9.496 9.133 4.671 373 HA HIS 44 HA HIS 44 10.789 8.957 2.139 374 HB2 HIS 44 HB2 HIS 44 8.435 8.212 2.617 375 HB3 HIS 44 HB1 HIS 44 7.974 9.909 2.708 376 HD1 HIS 44 HD1 HIS 44 7.433 11.054 0.498 377 HD2 HIS 44 HD2 HIS 44 9.345 7.391 0.026 378 HE1 HIS 44 HE1 HIS 44 7.367 10.531 -1.974 379 HA PRO 45 HA PRO 45 11.938 13.251 1.767 380 HB2 PRO 45 HB2 PRO 45 12.510 13.216 -0.904 381 HB3 PRO 45 HB1 PRO 45 13.609 12.595 0.333 382 HG2 PRO 45 HG2 PRO 45 11.737 11.094 -1.435 383 HG3 PRO 45 HG1 PRO 45 13.393 10.685 -0.946 384 HD2 PRO 45 HD2 PRO 45 11.240 9.535 0.198 385 HD3 PRO 45 HD1 PRO 45 12.736 9.856 1.099 386 H GLY 46 HN GLY 46 10.852 15.097 1.251 387 HA2 GLY 46 HA2 GLY 46 9.412 16.421 -0.101 388 HA3 GLY 46 HA1 GLY 46 8.713 14.945 -0.749 389 H GLY 47 HN GLY 47 8.677 13.985 2.182 390 HA2 GLY 47 HA2 GLY 47 7.401 14.677 4.133 391 HA3 GLY 47 HA1 GLY 47 6.339 15.560 3.047 392 H GLU 48 HN GLU 48 5.569 13.654 5.009 393 HA GLU 48 HA GLU 48 4.885 11.195 3.668 394 HB2 GLU 48 HB2 GLU 48 3.779 10.607 5.745 395 HB3 GLU 48 HB1 GLU 48 5.359 11.293 6.097 396 HG2 GLU 48 HG2 GLU 48 3.899 13.517 6.263 397 HG3 GLU 48 HG1 GLU 48 2.659 12.337 6.687 398 H GLU 49 HN GLU 49 3.648 14.272 3.567 399 HA GLU 49 HA GLU 49 0.899 14.032 3.773 400 HB2 GLU 49 HB2 GLU 49 2.314 16.126 3.400 401 HB3 GLU 49 HB1 GLU 49 2.243 15.734 1.687 402 HG2 GLU 49 HG2 GLU 49 0.523 17.271 2.010 403 HG3 GLU 49 HG1 GLU 49 -0.289 15.707 1.967 404 H VAL 50 HN VAL 50 2.912 13.570 0.873 405 HA VAL 50 HA VAL 50 0.745 12.967 -0.850 406 HB VAL 50 HB VAL 50 2.484 12.076 -2.392 407 HG11 VAL 50 HG11 VAL 50 3.595 14.221 -2.765 408 HG12 VAL 50 HG12 VAL 50 3.097 14.760 -1.163 409 HG13 VAL 50 HG13 VAL 50 1.884 14.441 -2.401 410 HG21 VAL 50 HG21 VAL 50 4.855 12.361 -1.771 411 HG22 VAL 50 HG22 VAL 50 4.037 11.145 -0.790 412 HG23 VAL 50 HG23 VAL 50 4.355 12.747 -0.122 413 H LEU 51 HN LEU 51 2.306 11.121 1.545 414 HA LEU 51 HA LEU 51 1.631 8.572 0.313 415 HB2 LEU 51 HB2 LEU 51 2.878 9.160 3.000 416 HB3 LEU 51 HB1 LEU 51 2.708 7.573 2.276 417 HG LEU 51 HG LEU 51 4.439 9.823 1.239 418 HD11 LEU 51 HD11 LEU 51 5.119 7.182 2.518 419 HD12 LEU 51 HD12 LEU 51 5.345 8.782 3.226 420 HD13 LEU 51 HD13 LEU 51 6.280 8.305 1.809 421 HD21 LEU 51 HD21 LEU 51 3.972 7.041 0.174 422 HD22 LEU 51 HD22 LEU 51 5.262 8.118 -0.359 423 HD23 LEU 51 HD23 LEU 51 3.577 8.563 -0.626 424 H ARG 52 HN ARG 52 0.737 10.498 3.156 425 HA ARG 52 HA ARG 52 -1.140 8.611 4.139 426 HB2 ARG 52 HB2 ARG 52 -1.960 10.482 5.571 427 HB3 ARG 52 HB1 ARG 52 -0.228 10.200 5.677 428 HG2 ARG 52 HG2 ARG 52 -0.160 12.440 5.508 429 HG3 ARG 52 HG1 ARG 52 -0.244 12.090 3.782 430 HD2 ARG 52 HD2 ARG 52 -1.816 13.847 4.400 431 HD3 ARG 52 HD1 ARG 52 -2.666 12.414 3.830 432 HE ARG 52 HE ARG 52 -3.223 11.919 6.129 433 HH11 ARG 52 HH11 ARG 52 -1.910 15.140 5.509 434 HH12 ARG 52 HH12 ARG 52 -2.703 15.848 6.971 435 HH21 ARG 52 HH21 ARG 52 -4.202 12.782 7.990 436 HH22 ARG 52 HH22 ARG 52 -3.959 14.529 8.373 437 H GLU 53 HN GLU 53 -1.329 10.986 1.643 438 HA GLU 53 HA GLU 53 -4.211 11.154 1.727 439 HB2 GLU 53 HB2 GLU 53 -4.040 12.628 -0.143 440 HB3 GLU 53 HB1 GLU 53 -2.752 13.041 0.978 441 HG2 GLU 53 HG2 GLU 53 -1.106 12.119 -0.391 442 HG3 GLU 53 HG1 GLU 53 -2.287 11.214 -1.334 443 H GLN 54 HN GLN 54 -1.977 8.957 0.477 444 HA GLN 54 HA GLN 54 -3.983 7.894 -1.407 445 HB2 GLN 54 HB2 GLN 54 -0.970 7.616 -1.475 446 HB3 GLN 54 HB1 GLN 54 -2.071 6.780 -2.560 447 HG2 GLN 54 HG2 GLN 54 -1.883 9.772 -2.349 448 HG3 GLN 54 HG1 GLN 54 -0.988 8.811 -3.519 449 HE21 GLN 54 HE21 GLN 54 -4.177 9.819 -2.494 450 HE22 GLN 54 HE22 GLN 54 -4.972 9.491 -3.992 451 H ALA 55 HN ALA 55 -3.318 7.526 1.565 452 HA ALA 55 HA ALA 55 -2.389 4.891 1.948 453 HB1 ALA 55 HB1 ALA 55 -4.119 6.575 3.749 454 HB2 ALA 55 HB2 ALA 55 -2.357 6.590 3.704 455 HB3 ALA 55 HB3 ALA 55 -3.215 5.139 4.222 456 H GLY 56 HN GLY 56 -3.359 3.031 1.526 457 HA2 GLY 56 HA2 GLY 56 -5.083 1.447 1.672 458 HA3 GLY 56 HA1 GLY 56 -6.228 2.746 1.957 459 H GLY 57 HN GLY 57 -4.208 3.441 -0.659 460 HA2 GLY 57 HA2 GLY 57 -6.041 2.177 -2.579 461 HA3 GLY 57 HA1 GLY 57 -5.812 3.918 -2.633 462 H ASP 58 HN ASP 58 -5.272 2.520 -4.872 463 HA ASP 58 HA ASP 58 -2.477 1.828 -4.987 464 HB2 ASP 58 HB2 ASP 58 -4.172 0.671 -6.379 465 HB3 ASP 58 HB1 ASP 58 -4.454 2.177 -7.248 466 H ALA 59 HN ALA 59 -0.887 3.195 -5.245 467 HA ALA 59 HA ALA 59 -1.489 5.875 -6.306 468 HB1 ALA 59 HB1 ALA 59 0.298 6.740 -4.966 469 HB2 ALA 59 HB2 ALA 59 0.808 5.115 -4.508 470 HB3 ALA 59 HB3 ALA 59 -0.733 5.751 -3.929 471 H THR 60 HN THR 60 -0.672 3.318 -7.749 472 HA THR 60 HA THR 60 1.982 3.509 -8.644 473 HB THR 60 HB THR 60 -0.341 2.558 -10.322 474 HG1 THR 60 HG1 THR 60 -0.627 1.339 -8.571 475 HG21 THR 60 HG21 THR 60 2.551 1.687 -10.204 476 HG22 THR 60 HG22 THR 60 1.842 2.713 -11.450 477 HG23 THR 60 HG23 THR 60 1.310 1.041 -11.278 478 H GLU 61 HN GLU 61 -0.935 5.138 -9.614 479 HA GLU 61 HA GLU 61 -0.123 6.242 -12.044 480 HB2 GLU 61 HB2 GLU 61 -1.874 8.013 -11.480 481 HB3 GLU 61 HB1 GLU 61 -2.415 6.340 -11.531 482 HG2 GLU 61 HG2 GLU 61 -2.517 6.196 -9.180 483 HG3 GLU 61 HG1 GLU 61 -1.620 7.698 -8.976 484 H ASN 62 HN ASN 62 0.713 7.112 -8.791 485 HA ASN 62 HA ASN 62 1.846 9.662 -9.690 486 HB2 ASN 62 HB2 ASN 62 0.466 9.203 -7.458 487 HB3 ASN 62 HB1 ASN 62 2.055 8.748 -6.857 488 HD21 ASN 62 HD21 ASN 62 -0.020 11.307 -7.762 489 HD22 ASN 62 HD22 ASN 62 1.046 12.607 -7.356 490 H PHE 63 HN PHE 63 2.697 6.535 -8.378 491 HA PHE 63 HA PHE 63 5.388 6.903 -7.789 492 HB2 PHE 63 HB2 PHE 63 3.920 4.890 -7.310 493 HB3 PHE 63 HB1 PHE 63 4.205 4.387 -8.969 494 HD1 PHE 63 HD2 PHE 63 5.708 4.831 -5.657 495 HD2 PHE 63 HD1 PHE 63 6.335 3.490 -9.649 496 HE1 PHE 63 HE2 PHE 63 7.761 3.680 -4.945 497 HE2 PHE 63 HE1 PHE 63 8.388 2.331 -8.940 498 HZ PHE 63 HZ PHE 63 9.104 2.427 -6.584 499 H GLU 64 HN GLU 64 3.871 5.917 -10.842 500 HA GLU 64 HA GLU 64 6.386 5.816 -12.243 501 HB2 GLU 64 HB2 GLU 64 5.016 5.359 -14.230 502 HB3 GLU 64 HB1 GLU 64 4.569 4.312 -12.890 503 HG2 GLU 64 HG2 GLU 64 2.605 5.606 -12.453 504 HG3 GLU 64 HG1 GLU 64 3.094 6.828 -13.624 505 H ASP 65 HN ASP 65 3.894 8.163 -11.684 506 HA ASP 65 HA ASP 65 4.378 9.874 -13.870 507 HB2 ASP 65 HB2 ASP 65 2.367 9.963 -12.373 508 HB3 ASP 65 HB1 ASP 65 3.391 10.678 -11.131 509 H VAL 66 HN VAL 66 5.603 9.917 -10.547 510 HA VAL 66 HA VAL 66 7.315 12.163 -11.002 511 HB VAL 66 HB VAL 66 7.374 10.111 -8.780 512 HG11 VAL 66 HG11 VAL 66 9.494 11.442 -9.170 513 HG12 VAL 66 HG12 VAL 66 8.777 11.575 -7.562 514 HG13 VAL 66 HG13 VAL 66 8.563 12.874 -8.737 515 HG21 VAL 66 HG21 VAL 66 5.262 11.467 -9.060 516 HG22 VAL 66 HG22 VAL 66 6.234 12.897 -8.701 517 HG23 VAL 66 HG23 VAL 66 6.064 11.617 -7.496 518 H GLY 67 HN GLY 67 7.797 8.659 -10.846 519 HA2 GLY 67 HA2 GLY 67 9.402 7.476 -12.112 520 HA3 GLY 67 HA1 GLY 67 10.279 8.984 -12.360 521 H HIS 68 HN HIS 68 10.574 6.101 -10.936 522 HA HIS 68 HA HIS 68 12.057 7.210 -8.649 523 HB2 HIS 68 HB2 HIS 68 10.449 4.693 -8.914 524 HB3 HIS 68 HB1 HIS 68 11.737 4.805 -7.719 525 HD1 HIS 68 HD1 HIS 68 8.487 6.573 -8.639 526 HD2 HIS 68 HD2 HIS 68 11.056 6.042 -5.413 527 HE1 HIS 68 HE1 HIS 68 7.363 7.653 -6.650 528 H SER 69 HN SER 69 14.053 6.374 -8.141 529 HA SER 69 HA SER 69 15.714 5.685 -10.301 530 HB2 SER 69 HB2 SER 69 17.053 5.040 -7.921 531 HB3 SER 69 HB1 SER 69 17.104 6.584 -8.779 532 HG SER 69 HG SER 69 16.390 7.078 -6.748 533 H THR 70 HN THR 70 17.135 3.769 -10.392 534 HA THR 70 HA THR 70 15.711 1.392 -10.621 535 HB THR 70 HB THR 70 18.582 1.033 -10.152 536 HG1 THR 70 HG1 THR 70 19.069 2.915 -11.023 537 HG21 THR 70 HG21 THR 70 16.825 0.624 -12.571 538 HG22 THR 70 HG22 THR 70 17.164 -0.586 -11.333 539 HG23 THR 70 HG23 THR 70 18.466 0.011 -12.362 540 H ASP 71 HN ASP 71 17.901 2.477 -8.039 541 HA ASP 71 HA ASP 71 17.632 0.044 -6.552 542 HB2 ASP 71 HB2 ASP 71 19.644 1.496 -6.418 543 HB3 ASP 71 HB1 ASP 71 18.671 2.726 -5.616 544 H ALA 72 HN ALA 72 15.963 3.100 -6.616 545 HA ALA 72 HA ALA 72 14.741 2.995 -4.086 546 HB1 ALA 72 HB1 ALA 72 13.710 4.257 -6.619 547 HB2 ALA 72 HB2 ALA 72 14.780 5.017 -5.440 548 HB3 ALA 72 HB3 ALA 72 13.131 4.589 -4.987 549 H ARG 73 HN ARG 73 13.802 1.647 -7.212 550 HA ARG 73 HA ARG 73 11.275 0.671 -6.219 551 HB2 ARG 73 HB2 ARG 73 11.031 -0.373 -8.429 552 HB3 ARG 73 HB1 ARG 73 11.460 1.324 -8.559 553 HG2 ARG 73 HG2 ARG 73 12.916 0.553 -10.084 554 HG3 ARG 73 HG1 ARG 73 13.910 0.230 -8.662 555 HD2 ARG 73 HD2 ARG 73 13.894 -1.725 -10.064 556 HD3 ARG 73 HD1 ARG 73 12.988 -2.069 -8.589 557 HE ARG 73 HE ARG 73 11.171 -1.185 -10.502 558 HH11 ARG 73 HH11 ARG 73 13.365 -3.891 -9.966 559 HH12 ARG 73 HH12 ARG 73 12.383 -5.018 -10.988 560 HH21 ARG 73 HH21 ARG 73 9.891 -2.574 -11.750 561 HH22 ARG 73 HH22 ARG 73 10.417 -4.288 -11.965 562 H GLU 74 HN GLU 74 14.447 -0.354 -5.955 563 HA GLU 74 HA GLU 74 13.761 -3.185 -5.796 564 HB2 GLU 74 HB2 GLU 74 16.385 -1.710 -5.615 565 HB3 GLU 74 HB1 GLU 74 16.234 -3.431 -5.289 566 HG2 GLU 74 HG2 GLU 74 15.662 -2.022 -7.884 567 HG3 GLU 74 HG1 GLU 74 16.999 -3.116 -7.535 568 H LEU 75 HN LEU 75 14.546 -0.450 -3.793 569 HA LEU 75 HA LEU 75 14.974 -1.881 -1.371 570 HB2 LEU 75 HB2 LEU 75 15.800 0.392 -1.703 571 HB3 LEU 75 HB1 LEU 75 14.160 0.985 -1.876 572 HG LEU 75 HG LEU 75 13.739 0.266 0.495 573 HD11 LEU 75 HD11 LEU 75 16.730 -0.092 0.504 574 HD12 LEU 75 HD12 LEU 75 15.524 -1.354 0.733 575 HD13 LEU 75 HD13 LEU 75 15.699 -0.076 1.932 576 HD21 LEU 75 HD21 LEU 75 14.889 2.187 1.481 577 HD22 LEU 75 HD22 LEU 75 14.167 2.595 -0.075 578 HD23 LEU 75 HD23 LEU 75 15.906 2.317 0.046 579 H SER 76 HN SER 76 12.164 -0.775 -3.086 580 HA SER 76 HA SER 76 10.344 -0.833 -0.912 581 HB2 SER 76 HB2 SER 76 8.994 -1.376 -3.360 582 HB3 SER 76 HB1 SER 76 9.067 0.144 -2.466 583 HG SER 76 HG SER 76 10.687 0.828 -3.721 584 H LYS 77 HN LYS 77 11.950 -3.315 -2.509 585 HA LYS 77 HA LYS 77 9.937 -5.302 -2.575 586 HB2 LYS 77 HB2 LYS 77 12.174 -5.323 -3.785 587 HB3 LYS 77 HB1 LYS 77 12.886 -5.821 -2.257 588 HG2 LYS 77 HG2 LYS 77 11.356 -7.771 -2.241 589 HG3 LYS 77 HG1 LYS 77 10.804 -7.295 -3.846 590 HD2 LYS 77 HD2 LYS 77 13.046 -7.570 -4.730 591 HD3 LYS 77 HD1 LYS 77 13.658 -7.956 -3.121 592 HE2 LYS 77 HE2 LYS 77 12.297 -9.958 -3.050 593 HE3 LYS 77 HE1 LYS 77 11.580 -9.554 -4.612 594 HZ1 LYS 77 HZ1 LYS 77 13.850 -9.698 -5.564 595 HZ2 LYS 77 HZ2 LYS 77 13.280 -11.165 -4.958 596 HZ3 LYS 77 HZ3 LYS 77 14.411 -10.271 -4.076 597 H THR 78 HN THR 78 11.690 -3.919 0.029 598 HA THR 78 HA THR 78 11.219 -6.252 1.722 599 HB THR 78 HB THR 78 13.393 -4.996 1.893 600 HG1 THR 78 HG1 THR 78 11.677 -5.353 4.130 601 HG21 THR 78 HG21 THR 78 12.497 -2.711 1.688 602 HG22 THR 78 HG22 THR 78 13.433 -2.914 3.169 603 HG23 THR 78 HG23 THR 78 11.672 -2.905 3.236 604 H PHE 79 HN PHE 79 9.402 -3.787 0.639 605 HA PHE 79 HA PHE 79 8.020 -3.351 3.190 606 HB2 PHE 79 HB2 PHE 79 7.748 -1.901 0.549 607 HB3 PHE 79 HB1 PHE 79 6.821 -1.534 1.997 608 HD1 PHE 79 HD1 PHE 79 9.077 -1.861 4.003 609 HD2 PHE 79 HD2 PHE 79 8.857 0.141 0.256 610 HE1 PHE 79 HE1 PHE 79 10.836 -0.309 4.735 611 HE2 PHE 79 HE2 PHE 79 10.618 1.697 0.982 612 HZ PHE 79 HZ PHE 79 11.611 1.472 3.220 613 H ILE 80 HN ILE 80 7.734 -4.867 0.092 614 HA ILE 80 HA ILE 80 4.899 -5.164 0.136 615 HB ILE 80 HB ILE 80 5.902 -5.300 -2.009 616 HG12 ILE 80 HG12 ILE 80 5.091 -8.093 -1.170 617 HG13 ILE 80 HG11 ILE 80 3.994 -6.808 -1.664 618 HG21 ILE 80 HG21 ILE 80 8.142 -5.889 -1.514 619 HG22 ILE 80 HG22 ILE 80 7.510 -7.134 -2.593 620 HG23 ILE 80 HG23 ILE 80 7.658 -7.456 -0.864 621 HD11 ILE 80 HD11 ILE 80 4.313 -8.368 -3.465 622 HD12 ILE 80 HD12 ILE 80 6.061 -8.156 -3.384 623 HD13 ILE 80 HD13 ILE 80 5.033 -6.816 -3.891 624 H ILE 81 HN ILE 81 3.850 -6.331 1.555 625 HA ILE 81 HA ILE 81 5.131 -8.750 2.629 626 HB ILE 81 HB ILE 81 3.636 -8.613 4.537 627 HG12 ILE 81 HG12 ILE 81 1.817 -7.396 3.105 628 HG13 ILE 81 HG11 ILE 81 1.927 -7.069 4.828 629 HG21 ILE 81 HG21 ILE 81 5.075 -6.019 3.982 630 HG22 ILE 81 HG22 ILE 81 5.744 -7.471 4.729 631 HG23 ILE 81 HG23 ILE 81 4.503 -6.540 5.568 632 HD11 ILE 81 HD11 ILE 81 3.338 -5.052 4.191 633 HD12 ILE 81 HD12 ILE 81 1.621 -4.988 3.804 634 HD13 ILE 81 HD13 ILE 81 2.794 -5.339 2.538 635 H GLY 82 HN GLY 82 2.987 -7.836 0.329 636 HA2 GLY 82 HA2 GLY 82 2.103 -10.340 -0.315 637 HA3 GLY 82 HA1 GLY 82 0.893 -9.720 0.794 638 H GLU 83 HN GLU 83 -0.345 -10.168 -1.243 639 HA GLU 83 HA GLU 83 -0.531 -7.691 -2.804 640 HB2 GLU 83 HB2 GLU 83 -0.497 -10.515 -3.872 641 HB3 GLU 83 HB1 GLU 83 -1.161 -9.169 -4.785 642 HG2 GLU 83 HG2 GLU 83 1.021 -8.051 -4.700 643 HG3 GLU 83 HG1 GLU 83 1.680 -9.433 -3.826 644 H LEU 84 HN LEU 84 -2.712 -8.104 -4.258 645 HA LEU 84 HA LEU 84 -4.782 -8.494 -2.232 646 HB2 LEU 84 HB2 LEU 84 -4.756 -7.180 -4.938 647 HB3 LEU 84 HB1 LEU 84 -6.258 -7.539 -4.114 648 HG LEU 84 HG LEU 84 -5.854 -5.288 -3.639 649 HD11 LEU 84 HD11 LEU 84 -5.524 -5.181 -1.279 650 HD12 LEU 84 HD12 LEU 84 -4.664 -6.718 -1.277 651 HD13 LEU 84 HD13 LEU 84 -6.388 -6.671 -1.650 652 HD21 LEU 84 HD21 LEU 84 -3.569 -5.144 -4.445 653 HD22 LEU 84 HD22 LEU 84 -2.993 -6.012 -3.024 654 HD23 LEU 84 HD23 LEU 84 -3.706 -4.411 -2.848 655 H HIS 85 HN HIS 85 -6.826 -9.545 -2.935 656 HA HIS 85 HA HIS 85 -6.309 -12.160 -3.922 657 HB2 HIS 85 HB2 HIS 85 -8.942 -10.729 -3.477 658 HB3 HIS 85 HB1 HIS 85 -8.785 -12.440 -3.835 659 HD1 HIS 85 HD1 HIS 85 -9.745 -10.695 -1.149 660 HD2 HIS 85 HD2 HIS 85 -6.531 -13.284 -1.659 661 HE1 HIS 85 HE1 HIS 85 -9.162 -11.522 1.159 662 HE2 HIS 85 HE2 HIS 85 -7.144 -12.989 0.839 663 HA PRO 86 HA PRO 86 -6.813 -11.664 -8.300 664 HB2 PRO 86 HB2 PRO 86 -8.345 -13.899 -8.876 665 HB3 PRO 86 HB1 PRO 86 -6.587 -13.904 -8.697 666 HG2 PRO 86 HG2 PRO 86 -8.672 -14.708 -6.734 667 HG3 PRO 86 HG1 PRO 86 -7.075 -15.420 -7.041 668 HD2 PRO 86 HD2 PRO 86 -7.536 -13.839 -4.917 669 HD3 PRO 86 HD1 PRO 86 -5.976 -13.850 -5.763 670 H ASP 87 HN ASP 87 -9.614 -12.430 -6.337 671 HA ASP 87 HA ASP 87 -11.596 -11.588 -8.189 672 HB2 ASP 87 HB2 ASP 87 -11.843 -11.664 -5.178 673 HB3 ASP 87 HB1 ASP 87 -13.143 -11.774 -6.356 674 H ASP 88 HN ASP 88 -9.698 -10.001 -5.737 675 HA ASP 88 HA ASP 88 -11.246 -7.556 -5.801 676 HB2 ASP 88 HB2 ASP 88 -8.623 -8.233 -4.438 677 HB3 ASP 88 HB1 ASP 88 -9.467 -6.700 -4.263 678 H ARG 89 HN ARG 89 -9.176 -8.879 -7.932 679 HA ARG 89 HA ARG 89 -8.161 -6.249 -8.767 680 HB2 ARG 89 HB2 ARG 89 -6.749 -8.902 -8.748 681 HB3 ARG 89 HB1 ARG 89 -6.235 -7.594 -9.805 682 HG2 ARG 89 HG2 ARG 89 -6.095 -6.159 -7.710 683 HG3 ARG 89 HG1 ARG 89 -6.242 -7.667 -6.805 684 HD2 ARG 89 HD2 ARG 89 -4.217 -7.556 -8.972 685 HD3 ARG 89 HD1 ARG 89 -3.888 -6.635 -7.505 686 HE ARG 89 HE ARG 89 -4.683 -9.238 -6.796 687 HH11 ARG 89 HH11 ARG 89 -1.997 -7.534 -8.309 688 HH12 ARG 89 HH12 ARG 89 -0.774 -8.743 -7.748 689 HH21 ARG 89 HH21 ARG 89 -3.135 -10.772 -6.064 690 HH22 ARG 89 HH22 ARG 89 -1.397 -10.521 -6.519 691 H SER 90 HN SER 90 -8.429 -9.538 -10.135 692 HA SER 90 HA SER 90 -9.308 -8.319 -12.654 693 HB2 SER 90 HB2 SER 90 -8.812 -10.875 -13.329 694 HB3 SER 90 HB1 SER 90 -7.556 -9.638 -13.293 695 HG SER 90 HG SER 90 -8.110 -11.678 -11.428 696 H LYS 91 HN LYS 91 -11.345 -8.201 -11.045 697 HA LYS 91 HA LYS 91 -13.282 -9.938 -12.190 698 HB2 LYS 91 HB2 LYS 91 -12.213 -11.349 -10.338 699 HB3 LYS 91 HB1 LYS 91 -12.974 -10.237 -9.209 700 HG2 LYS 91 HG2 LYS 91 -15.156 -10.844 -9.969 701 HG3 LYS 91 HG1 LYS 91 -14.482 -11.803 -11.287 702 HD2 LYS 91 HD2 LYS 91 -13.924 -12.390 -8.389 703 HD3 LYS 91 HD1 LYS 91 -15.283 -13.096 -9.263 704 HE2 LYS 91 HE2 LYS 91 -12.386 -13.352 -10.068 705 HE3 LYS 91 HE1 LYS 91 -13.305 -14.575 -9.194 706 HZ1 LYS 91 HZ1 LYS 91 -13.206 -15.033 -11.570 707 HZ2 LYS 91 HZ2 LYS 91 -13.957 -13.561 -11.906 708 HZ3 LYS 91 HZ3 LYS 91 -14.796 -14.764 -11.068 709 H LEU 92 HN LEU 92 -12.967 -8.307 -9.038 710 HA LEU 92 HA LEU 92 -14.000 -6.514 -8.110 711 HB2 LEU 92 HB2 LEU 92 -14.037 -5.873 -10.986 712 HB3 LEU 92 HB1 LEU 92 -15.212 -5.009 -10.016 713 HG LEU 92 HG LEU 92 -13.163 -3.712 -10.295 714 HD11 LEU 92 HD11 LEU 92 -12.777 -3.153 -7.983 715 HD12 LEU 92 HD12 LEU 92 -13.466 -4.687 -7.464 716 HD13 LEU 92 HD13 LEU 92 -14.489 -3.480 -8.240 717 HD21 LEU 92 HD21 LEU 92 -11.814 -6.006 -8.873 718 HD22 LEU 92 HD22 LEU 92 -11.066 -4.454 -9.255 719 HD23 LEU 92 HD23 LEU 92 -11.573 -5.534 -10.555 720 H SER 93 HN SER 93 -15.528 -9.044 -8.950 721 HA SER 93 HA SER 93 -18.245 -8.036 -9.103 722 HB2 SER 93 HB2 SER 93 -17.439 -10.924 -8.785 723 HB3 SER 93 HB1 SER 93 -18.906 -10.271 -9.511 724 HG SER 93 HG SER 93 -17.666 -10.766 -11.216 725 H LYS 94 HN LYS 94 -17.917 -6.923 -6.981 726 HA LYS 94 HA LYS 94 -18.855 -8.672 -4.837 727 HB2 LYS 94 HB2 LYS 94 -16.428 -6.894 -4.720 728 HB3 LYS 94 HB1 LYS 94 -17.308 -7.339 -3.265 729 HG2 LYS 94 HG2 LYS 94 -16.800 -9.632 -3.543 730 HG3 LYS 94 HG1 LYS 94 -16.230 -9.373 -5.193 731 HD2 LYS 94 HD2 LYS 94 -14.329 -9.674 -3.738 732 HD3 LYS 94 HD1 LYS 94 -14.376 -8.000 -4.286 733 HE2 LYS 94 HE2 LYS 94 -15.177 -7.238 -2.196 734 HE3 LYS 94 HE1 LYS 94 -15.557 -8.873 -1.665 735 HZ1 LYS 94 HZ1 LYS 94 -13.401 -7.680 -0.845 736 HZ2 LYS 94 HZ2 LYS 94 -12.771 -8.220 -2.329 737 HZ3 LYS 94 HZ3 LYS 94 -13.384 -9.335 -1.210 738 HA PRO 95 HA PRO 95 -21.750 -5.393 -4.213 739 HB2 PRO 95 HB2 PRO 95 -22.312 -5.772 -1.566 740 HB3 PRO 95 HB1 PRO 95 -22.954 -6.796 -2.859 741 HG2 PRO 95 HG2 PRO 95 -20.637 -7.290 -1.045 742 HG3 PRO 95 HG1 PRO 95 -21.898 -8.414 -1.590 743 HD2 PRO 95 HD2 PRO 95 -19.439 -8.405 -2.680 744 HD3 PRO 95 HD1 PRO 95 -20.893 -8.766 -3.634 745 H MET 96 HN MET 96 -22.057 -3.384 -3.085 746 HA MET 96 HA MET 96 -19.541 -2.354 -1.962 747 HB2 MET 96 HB2 MET 96 -20.361 -1.288 -4.056 748 HB3 MET 96 HB1 MET 96 -21.821 -0.807 -3.207 749 HG2 MET 96 HG2 MET 96 -20.239 1.030 -3.381 750 HG3 MET 96 HG1 MET 96 -20.525 0.578 -1.703 751 HE1 MET 96 HE1 MET 96 -18.075 0.272 -4.747 752 HE2 MET 96 HE2 MET 96 -18.274 -1.411 -4.261 753 HE3 MET 96 HE3 MET 96 -16.720 -0.605 -4.036 754 H GLU 97 HN GLU 97 -22.918 -1.287 -1.732 755 HA GLU 97 HA GLU 97 -24.229 -0.652 -0.004 756 HB2 GLU 97 HB2 GLU 97 -23.879 -3.039 0.679 757 HB3 GLU 97 HB1 GLU 97 -22.563 -2.497 1.710 758 HG2 GLU 97 HG2 GLU 97 -24.224 -1.001 2.860 759 HG3 GLU 97 HG1 GLU 97 -25.485 -1.835 1.956 760 H THR 98 HN THR 98 -23.557 1.485 0.017 761 HA THR 98 HA THR 98 -22.086 2.245 2.398 762 HB THR 98 HB THR 98 -20.418 2.000 0.489 763 HG1 THR 98 HG1 THR 98 -19.805 3.230 2.231 764 HG21 THR 98 HG21 THR 98 -21.911 4.428 -0.505 765 HG22 THR 98 HG22 THR 98 -21.704 2.887 -1.339 766 HG23 THR 98 HG23 THR 98 -20.314 3.942 -1.071 767 H LEU 99 HN LEU 99 -22.118 4.668 2.667 768 HA LEU 99 HA LEU 99 -23.346 6.538 3.037 769 HB2 LEU 99 HB2 LEU 99 -24.092 6.095 0.149 770 HB3 LEU 99 HB1 LEU 99 -24.360 7.582 1.040 771 HG LEU 99 HG LEU 99 -21.622 6.397 0.603 772 HD11 LEU 99 HD11 LEU 99 -22.645 6.921 -1.549 773 HD12 LEU 99 HD12 LEU 99 -21.345 8.046 -1.167 774 HD13 LEU 99 HD13 LEU 99 -23.024 8.546 -0.976 775 HD21 LEU 99 HD21 LEU 99 -21.741 7.912 2.482 776 HD22 LEU 99 HD22 LEU 99 -22.576 9.113 1.499 777 HD23 LEU 99 HD23 LEU 99 -20.900 8.698 1.144 778 H ILE 100 HN ILE 100 -24.634 4.821 4.347 779 HA ILE 100 HA ILE 100 -27.455 5.039 3.532 780 HB ILE 100 HB ILE 100 -27.819 2.921 4.884 781 HG12 ILE 100 HG12 ILE 100 -24.828 2.642 4.490 782 HG13 ILE 100 HG11 ILE 100 -25.610 2.972 6.032 783 HG21 ILE 100 HG21 ILE 100 -26.205 2.797 2.342 784 HG22 ILE 100 HG22 ILE 100 -27.960 2.923 2.478 785 HG23 ILE 100 HG23 ILE 100 -27.139 1.455 3.012 786 HD11 ILE 100 HD11 ILE 100 -25.012 0.632 5.835 787 HD12 ILE 100 HD12 ILE 100 -25.968 0.497 4.359 788 HD13 ILE 100 HD13 ILE 100 -26.767 0.823 5.898 789 H THR 101 HN THR 101 -25.523 6.563 5.393 790 HA THR 101 HA THR 101 -27.405 6.698 7.634 791 HB THR 101 HB THR 101 -24.747 7.266 8.579 792 HG1 THR 101 HG1 THR 101 -24.955 4.544 7.951 793 HG21 THR 101 HG21 THR 101 -25.335 5.569 10.244 794 HG22 THR 101 HG22 THR 101 -26.708 5.074 9.259 795 HG23 THR 101 HG23 THR 101 -26.677 6.680 9.980 796 H THR 102 HN THR 102 -27.976 8.723 8.174 797 HA THR 102 HA THR 102 -26.924 10.914 6.622 798 HB THR 102 HB THR 102 -28.638 12.068 8.405 799 HG1 THR 102 HG1 THR 102 -30.166 9.862 7.889 800 HG21 THR 102 HG21 THR 102 -28.712 12.218 5.940 801 HG22 THR 102 HG22 THR 102 -30.307 11.935 6.640 802 HG23 THR 102 HG23 THR 102 -29.429 10.607 5.881 803 H VAL 103 HN VAL 103 -24.781 11.060 7.411 804 HA VAL 103 HA VAL 103 -24.484 11.944 10.201 805 HB VAL 103 HB VAL 103 -22.022 11.625 9.787 806 HG11 VAL 103 HG11 VAL 103 -23.785 9.201 9.415 807 HG12 VAL 103 HG12 VAL 103 -23.322 9.931 10.952 808 HG13 VAL 103 HG13 VAL 103 -22.098 9.171 9.935 809 HG21 VAL 103 HG21 VAL 103 -21.324 10.300 7.849 810 HG22 VAL 103 HG22 VAL 103 -22.057 11.824 7.349 811 HG23 VAL 103 HG23 VAL 103 -22.977 10.325 7.233 812 H ASP 104 HN ASP 104 -25.403 13.467 7.727 813 HA ASP 104 HA ASP 104 -23.427 15.646 7.833 814 HB2 ASP 104 HB2 ASP 104 -24.212 16.322 5.627 815 HB3 ASP 104 HB1 ASP 104 -23.725 14.630 5.587 816 HHB HEM 400 HB HEM 400 11.711 4.971 -1.975 817 HHC HEM 400 HC HEM 400 5.428 5.163 -2.739 818 HHD HEM 400 HD HEM 400 5.867 11.103 -4.874 819 HMA HEM 400 HMA1 HEM 400 14.082 5.468 -2.978 820 HMAA HEM 400 HMA2 HEM 400 13.865 6.061 -1.333 821 HMAB HEM 400 HMA3 HEM 400 14.969 6.890 -2.432 822 HAA HEM 400 HAA1 HEM 400 15.021 8.928 -2.889 823 HAAA HEM 400 HAA2 HEM 400 14.081 10.274 -3.510 824 HBA HEM 400 HBA1 HEM 400 14.438 9.699 -5.702 825 HBAA HEM 400 HBA2 HEM 400 14.511 7.973 -5.348 826 HMB HEM 400 HMB1 HEM 400 10.308 2.339 -2.122 827 HMBA HEM 400 HMB2 HEM 400 9.348 2.400 -0.641 828 HMBB HEM 400 HMB3 HEM 400 10.818 3.361 -0.794 829 HAB HEM 400 HAB HEM 400 7.075 2.099 -1.983 830 HBB HEM 400 HBB1 HEM 400 5.385 4.371 -0.662 831 HBBA HEM 400 HBB2 HEM 400 4.997 2.491 -0.779 832 HMC HEM 400 HMC1 HEM 400 2.485 7.297 -3.872 833 HMCA HEM 400 HMC2 HEM 400 3.214 6.434 -2.512 834 HMCB HEM 400 HMC3 HEM 400 3.403 5.831 -4.160 835 HAC HEM 400 HAC HEM 400 3.661 10.267 -5.370 836 HBC HEM 400 HBC1 HEM 400 2.208 9.151 -2.837 837 HBCA HEM 400 HBC2 HEM 400 1.578 10.435 -4.117 838 HMD HEM 400 HMD1 HEM 400 6.635 12.821 -5.744 839 HMDA HEM 400 HMD2 HEM 400 8.111 13.592 -6.332 840 HMDB HEM 400 HMD3 HEM 400 7.562 13.854 -4.675 841 HAD HEM 400 HAD1 HEM 400 10.261 13.912 -5.232 842 HADA HEM 400 HAD2 HEM 400 11.569 12.937 -4.583 843 HBD HEM 400 HBD1 HEM 400 10.924 13.542 -7.347 844 HBDA HEM 400 HBD2 HEM 400 11.033 11.803 -7.085 845 HHA HEM 400 HA HEM 400 12.174 10.808 -4.375 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 21.812 -13.698 15.876 2 H2 MET 1 HT2 MET 1 22.904 -13.227 17.083 3 H3 MET 1 HT3 MET 1 22.106 -12.060 16.161 4 HA MET 1 HA MET 1 20.732 -13.980 17.928 5 HB2 MET 1 HB2 MET 1 22.229 -12.429 19.195 6 HB3 MET 1 HB1 MET 1 21.344 -11.076 18.506 7 HG2 MET 1 HG2 MET 1 19.266 -12.209 19.518 8 HG3 MET 1 HG1 MET 1 20.427 -13.111 20.492 9 HE1 MET 1 HE1 MET 1 22.189 -10.329 22.562 10 HE2 MET 1 HE2 MET 1 22.746 -11.086 21.070 11 HE3 MET 1 HE3 MET 1 21.983 -12.061 22.324 12 H ALA 2 HN ALA 2 20.331 -10.579 16.936 13 HA ALA 2 HA ALA 2 17.544 -11.210 16.290 14 HB1 ALA 2 HB1 ALA 2 17.915 -9.421 17.913 15 HB2 ALA 2 HB2 ALA 2 17.138 -8.813 16.448 16 HB3 ALA 2 HB3 ALA 2 18.861 -8.530 16.717 17 H ALA 3 HN ALA 3 18.431 -12.253 14.298 18 HA ALA 3 HA ALA 3 18.472 -10.276 12.136 19 HB1 ALA 3 HB1 ALA 3 20.809 -10.928 12.594 20 HB2 ALA 3 HB2 ALA 3 20.272 -11.407 10.983 21 HB3 ALA 3 HB3 ALA 3 20.382 -12.609 12.270 22 H GLN 4 HN GLN 4 17.082 -10.770 10.566 23 HA GLN 4 HA GLN 4 16.481 -13.509 9.894 24 HB2 GLN 4 HB2 GLN 4 13.975 -13.083 10.174 25 HB3 GLN 4 HB1 GLN 4 14.899 -13.394 11.636 26 HG2 GLN 4 HG2 GLN 4 14.976 -10.993 12.091 27 HG3 GLN 4 HG1 GLN 4 14.034 -10.692 10.632 28 HE21 GLN 4 HE21 GLN 4 12.406 -9.704 11.844 29 HE22 GLN 4 HE22 GLN 4 11.301 -10.626 12.804 30 H SER 5 HN SER 5 15.292 -13.694 7.927 31 HA SER 5 HA SER 5 14.705 -11.259 6.464 32 HB2 SER 5 HB2 SER 5 16.718 -13.264 5.410 33 HB3 SER 5 HB1 SER 5 16.139 -11.824 4.566 34 HG SER 5 HG SER 5 16.990 -10.989 6.895 35 H ASP 6 HN ASP 6 12.582 -12.170 6.720 36 HA ASP 6 HA ASP 6 12.071 -14.456 4.940 37 HB2 ASP 6 HB2 ASP 6 10.542 -13.476 7.355 38 HB3 ASP 6 HB1 ASP 6 9.878 -14.639 6.214 39 H LYS 7 HN LYS 7 11.213 -13.899 3.050 40 HA LYS 7 HA LYS 7 9.579 -11.460 2.951 41 HB2 LYS 7 HB2 LYS 7 11.554 -12.618 1.104 42 HB3 LYS 7 HB1 LYS 7 10.086 -12.041 0.328 43 HG2 LYS 7 HG2 LYS 7 11.932 -10.436 2.086 44 HG3 LYS 7 HG1 LYS 7 11.749 -10.297 0.336 45 HD2 LYS 7 HD2 LYS 7 10.093 -8.841 0.620 46 HD3 LYS 7 HD1 LYS 7 9.175 -10.053 1.517 47 HE2 LYS 7 HE2 LYS 7 10.536 -9.395 3.544 48 HE3 LYS 7 HE1 LYS 7 11.127 -8.031 2.601 49 HZ1 LYS 7 HZ1 LYS 7 8.566 -8.423 3.859 50 HZ2 LYS 7 HZ2 LYS 7 8.456 -7.850 2.273 51 HZ3 LYS 7 HZ3 LYS 7 9.350 -6.988 3.427 52 H ASP 8 HN ASP 8 7.748 -12.554 3.696 53 HA ASP 8 HA ASP 8 6.616 -14.606 1.946 54 HB2 ASP 8 HB2 ASP 8 6.457 -15.350 4.148 55 HB3 ASP 8 HB1 ASP 8 6.120 -13.741 4.775 56 H VAL 9 HN VAL 9 4.831 -14.269 0.744 57 HA VAL 9 HA VAL 9 3.700 -11.560 0.799 58 HB VAL 9 HB VAL 9 4.686 -11.932 -1.334 59 HG11 VAL 9 HG11 VAL 9 3.171 -14.534 -1.475 60 HG12 VAL 9 HG12 VAL 9 4.911 -14.350 -1.259 61 HG13 VAL 9 HG13 VAL 9 4.151 -13.845 -2.769 62 HG21 VAL 9 HG21 VAL 9 2.653 -10.787 -1.603 63 HG22 VAL 9 HG22 VAL 9 1.702 -12.255 -1.385 64 HG23 VAL 9 HG23 VAL 9 2.654 -12.029 -2.854 65 H LYS 10 HN LYS 10 1.862 -11.485 1.865 66 HA LYS 10 HA LYS 10 0.064 -13.803 1.801 67 HB2 LYS 10 HB2 LYS 10 0.901 -12.817 3.991 68 HB3 LYS 10 HB1 LYS 10 -0.110 -11.425 3.636 69 HG2 LYS 10 HG2 LYS 10 -2.074 -12.928 3.551 70 HG3 LYS 10 HG1 LYS 10 -1.024 -14.260 4.038 71 HD2 LYS 10 HD2 LYS 10 -1.421 -11.727 5.626 72 HD3 LYS 10 HD1 LYS 10 -2.287 -13.234 5.921 73 HE2 LYS 10 HE2 LYS 10 0.704 -12.856 6.064 74 HE3 LYS 10 HE1 LYS 10 -0.386 -12.968 7.443 75 HZ1 LYS 10 HZ1 LYS 10 0.042 -15.115 5.439 76 HZ2 LYS 10 HZ2 LYS 10 -0.928 -15.217 6.817 77 HZ3 LYS 10 HZ3 LYS 10 0.750 -15.064 6.974 78 H TYR 11 HN TYR 11 -1.919 -13.687 0.916 79 HA TYR 11 HA TYR 11 -2.570 -11.354 -0.648 80 HB2 TYR 11 HB2 TYR 11 -3.800 -14.080 -0.320 81 HB3 TYR 11 HB1 TYR 11 -4.643 -12.809 -1.198 82 HD1 TYR 11 HD2 TYR 11 -1.126 -14.103 -1.097 83 HD2 TYR 11 HD1 TYR 11 -4.482 -13.039 -3.484 84 HE1 TYR 11 HE2 TYR 11 0.135 -14.695 -3.122 85 HE2 TYR 11 HE1 TYR 11 -3.230 -13.627 -5.514 86 HH TYR 11 HH TYR 11 0.079 -14.921 -5.326 87 H TYR 12 HN TYR 12 -3.145 -9.700 0.676 88 HA TYR 12 HA TYR 12 -5.035 -10.085 2.825 89 HB2 TYR 12 HB2 TYR 12 -3.651 -7.649 1.708 90 HB3 TYR 12 HB1 TYR 12 -4.841 -7.553 2.996 91 HD1 TYR 12 HD2 TYR 12 -4.345 -8.577 5.206 92 HD2 TYR 12 HD1 TYR 12 -1.411 -8.345 2.131 93 HE1 TYR 12 HE2 TYR 12 -2.579 -8.948 6.874 94 HE2 TYR 12 HE1 TYR 12 0.364 -8.717 3.794 95 HH TYR 12 HH TYR 12 -0.326 -9.693 7.029 96 H THR 13 HN THR 13 -7.059 -8.950 2.967 97 HA THR 13 HA THR 13 -8.486 -8.941 0.453 98 HB THR 13 HB THR 13 -10.218 -8.094 2.495 99 HG1 THR 13 HG1 THR 13 -9.621 -9.122 4.277 100 HG21 THR 13 HG21 THR 13 -11.212 -10.289 2.208 101 HG22 THR 13 HG22 THR 13 -9.726 -10.897 1.478 102 HG23 THR 13 HG23 THR 13 -10.684 -9.674 0.642 103 H LEU 14 HN LEU 14 -9.628 -7.173 -0.383 104 HA LEU 14 HA LEU 14 -8.352 -4.684 -0.285 105 HB2 LEU 14 HB2 LEU 14 -9.652 -5.367 -2.200 106 HB3 LEU 14 HB1 LEU 14 -11.111 -5.460 -1.234 107 HG LEU 14 HG LEU 14 -10.813 -2.936 -0.851 108 HD11 LEU 14 HD11 LEU 14 -9.576 -1.757 -2.588 109 HD12 LEU 14 HD12 LEU 14 -9.012 -3.299 -3.236 110 HD13 LEU 14 HD13 LEU 14 -8.510 -2.783 -1.625 111 HD21 LEU 14 HD21 LEU 14 -11.926 -2.408 -2.956 112 HD22 LEU 14 HD22 LEU 14 -12.558 -3.900 -2.264 113 HD23 LEU 14 HD23 LEU 14 -11.432 -3.964 -3.619 114 H GLU 15 HN GLU 15 -11.218 -5.901 1.350 115 HA GLU 15 HA GLU 15 -11.885 -3.386 2.554 116 HB2 GLU 15 HB2 GLU 15 -13.454 -4.872 3.926 117 HB3 GLU 15 HB1 GLU 15 -13.710 -4.817 2.187 118 HG2 GLU 15 HG2 GLU 15 -11.971 -6.966 3.275 119 HG3 GLU 15 HG1 GLU 15 -13.709 -7.089 3.532 120 H GLU 16 HN GLU 16 -9.308 -5.277 3.153 121 HA GLU 16 HA GLU 16 -9.422 -4.811 6.061 122 HB2 GLU 16 HB2 GLU 16 -9.138 -7.203 5.241 123 HB3 GLU 16 HB1 GLU 16 -7.548 -6.724 4.668 124 HG2 GLU 16 HG2 GLU 16 -7.509 -7.843 6.865 125 HG3 GLU 16 HG1 GLU 16 -6.826 -6.218 6.891 126 H ILE 17 HN ILE 17 -7.354 -4.557 3.195 127 HA ILE 17 HA ILE 17 -5.130 -3.410 4.486 128 HB ILE 17 HB ILE 17 -4.621 -2.450 2.173 129 HG12 ILE 17 HG12 ILE 17 -6.914 -4.251 1.372 130 HG13 ILE 17 HG11 ILE 17 -7.026 -2.495 1.435 131 HG21 ILE 17 HG21 ILE 17 -4.029 -4.685 1.291 132 HG22 ILE 17 HG22 ILE 17 -5.015 -5.412 2.557 133 HG23 ILE 17 HG23 ILE 17 -3.590 -4.470 2.985 134 HD11 ILE 17 HD11 ILE 17 -6.650 -3.308 -0.829 135 HD12 ILE 17 HD12 ILE 17 -5.143 -4.062 -0.309 136 HD13 ILE 17 HD13 ILE 17 -5.313 -2.307 -0.267 137 H LYS 18 HN LYS 18 -7.995 -1.929 3.018 138 HA LYS 18 HA LYS 18 -7.035 0.737 3.500 139 HB2 LYS 18 HB2 LYS 18 -9.222 1.471 2.680 140 HB3 LYS 18 HB1 LYS 18 -8.482 0.305 1.592 141 HG2 LYS 18 HG2 LYS 18 -10.021 -1.331 2.076 142 HG3 LYS 18 HG1 LYS 18 -10.405 -0.653 3.659 143 HD2 LYS 18 HD2 LYS 18 -12.238 -0.352 2.042 144 HD3 LYS 18 HD1 LYS 18 -11.598 1.186 2.619 145 HE2 LYS 18 HE2 LYS 18 -10.063 0.927 0.473 146 HE3 LYS 18 HE1 LYS 18 -11.409 -0.071 -0.072 147 HZ1 LYS 18 HZ1 LYS 18 -11.685 2.712 0.916 148 HZ2 LYS 18 HZ2 LYS 18 -12.894 1.760 0.218 149 HZ3 LYS 18 HZ3 LYS 18 -11.590 2.288 -0.717 150 H LYS 19 HN LYS 19 -7.934 -1.468 5.628 151 HA LYS 19 HA LYS 19 -9.393 0.433 7.341 152 HB2 LYS 19 HB2 LYS 19 -10.419 -1.865 6.746 153 HB3 LYS 19 HB1 LYS 19 -9.203 -2.541 7.821 154 HG2 LYS 19 HG2 LYS 19 -11.099 -2.333 9.152 155 HG3 LYS 19 HG1 LYS 19 -10.118 -0.931 9.582 156 HD2 LYS 19 HD2 LYS 19 -12.182 0.049 9.323 157 HD3 LYS 19 HD1 LYS 19 -11.525 0.234 7.696 158 HE2 LYS 19 HE2 LYS 19 -13.718 -0.566 7.393 159 HE3 LYS 19 HE1 LYS 19 -12.676 -1.965 7.146 160 HZ1 LYS 19 HZ1 LYS 19 -14.518 -2.594 8.512 161 HZ2 LYS 19 HZ2 LYS 19 -14.240 -1.319 9.585 162 HZ3 LYS 19 HZ3 LYS 19 -13.130 -2.592 9.480 163 H HIS 20 HN HIS 20 -6.414 -0.222 6.699 164 HA HIS 20 HA HIS 20 -5.524 -0.516 9.492 165 HB2 HIS 20 HB2 HIS 20 -4.350 -1.375 6.886 166 HB3 HIS 20 HB1 HIS 20 -3.251 -0.944 8.189 167 HD1 HIS 20 HD1 HIS 20 -5.741 -3.536 7.157 168 HD2 HIS 20 HD2 HIS 20 -3.201 -2.730 10.351 169 HE1 HIS 20 HE1 HIS 20 -5.641 -5.657 8.497 170 HE2 HIS 20 HE2 HIS 20 -4.083 -5.158 10.413 171 H ASN 21 HN ASN 21 -5.823 1.675 6.948 172 HA ASN 21 HA ASN 21 -3.506 3.266 7.365 173 HB2 ASN 21 HB2 ASN 21 -4.957 5.034 6.143 174 HB3 ASN 21 HB1 ASN 21 -4.486 3.584 5.266 175 HD21 ASN 21 HD21 ASN 21 -6.241 4.002 3.854 176 HD22 ASN 21 HD22 ASN 21 -7.857 3.578 4.307 177 H HIS 22 HN HIS 22 -3.379 3.590 9.622 178 HA HIS 22 HA HIS 22 -5.171 5.708 10.563 179 HB2 HIS 22 HB2 HIS 22 -4.564 3.139 12.016 180 HB3 HIS 22 HB1 HIS 22 -5.142 4.579 12.852 181 HD1 HIS 22 HD1 HIS 22 -6.362 1.595 11.318 182 HD2 HIS 22 HD2 HIS 22 -7.707 5.516 11.588 183 HE1 HIS 22 HE1 HIS 22 -8.804 1.511 10.733 184 HE2 HIS 22 HE2 HIS 22 -9.625 3.873 11.040 185 H SER 23 HN SER 23 -2.374 3.838 11.813 186 HA SER 23 HA SER 23 -0.841 6.303 11.940 187 HB2 SER 23 HB2 SER 23 -0.271 5.707 14.401 188 HB3 SER 23 HB1 SER 23 -1.798 6.524 14.069 189 HG SER 23 HG SER 23 -2.266 4.812 15.397 190 H LYS 24 HN LYS 24 -0.612 3.122 13.505 191 HA LYS 24 HA LYS 24 2.073 2.820 12.349 192 HB2 LYS 24 HB2 LYS 24 2.015 0.866 14.169 193 HB3 LYS 24 HB1 LYS 24 2.431 2.524 14.582 194 HG2 LYS 24 HG2 LYS 24 0.050 2.896 15.213 195 HG3 LYS 24 HG1 LYS 24 -0.232 1.173 14.952 196 HD2 LYS 24 HD2 LYS 24 1.063 0.561 16.772 197 HD3 LYS 24 HD1 LYS 24 1.961 2.079 16.774 198 HE2 LYS 24 HE2 LYS 24 -0.143 3.235 17.458 199 HE3 LYS 24 HE1 LYS 24 -0.903 1.651 17.616 200 HZ1 LYS 24 HZ1 LYS 24 -0.072 2.538 19.732 201 HZ2 LYS 24 HZ2 LYS 24 1.503 2.535 19.121 202 HZ3 LYS 24 HZ3 LYS 24 0.670 1.077 19.321 203 H SER 25 HN SER 25 -0.136 2.332 10.709 204 HA SER 25 HA SER 25 0.445 -0.343 9.835 205 HB2 SER 25 HB2 SER 25 -2.375 0.341 10.715 206 HB3 SER 25 HB1 SER 25 -1.910 -1.117 9.839 207 HG SER 25 HG SER 25 -0.341 -0.825 11.989 208 H THR 26 HN THR 26 0.515 2.512 8.986 209 HA THR 26 HA THR 26 -1.443 2.858 6.928 210 HB THR 26 HB THR 26 1.173 4.334 7.122 211 HG1 THR 26 HG1 THR 26 0.563 5.021 9.028 212 HG21 THR 26 HG21 THR 26 -0.247 6.227 6.352 213 HG22 THR 26 HG22 THR 26 -1.604 5.107 6.223 214 HG23 THR 26 HG23 THR 26 -0.184 4.891 5.199 215 H TRP 27 HN TRP 27 -1.369 1.242 5.427 216 HA TRP 27 HA TRP 27 1.194 0.704 4.103 217 HB2 TRP 27 HB2 TRP 27 -1.371 -0.901 4.068 218 HB3 TRP 27 HB1 TRP 27 0.133 -1.356 3.275 219 HD1 TRP 27 HD1 TRP 27 1.789 -0.308 6.059 220 HE1 TRP 27 HE1 TRP 27 1.933 -2.022 7.963 221 HE3 TRP 27 HE3 TRP 27 -2.043 -3.396 4.657 222 HZ2 TRP 27 HZ2 TRP 27 0.599 -4.369 8.772 223 HZ3 TRP 27 HZ3 TRP 27 -2.539 -5.360 6.053 224 HH2 TRP 27 HH2 TRP 27 -1.245 -5.836 8.069 225 H LEU 28 HN LEU 28 1.364 0.737 1.867 226 HA LEU 28 HA LEU 28 -0.826 2.120 0.452 227 HB2 LEU 28 HB2 LEU 28 2.139 2.481 0.342 228 HB3 LEU 28 HB1 LEU 28 1.198 2.777 -1.106 229 HG LEU 28 HG LEU 28 -0.102 4.176 0.961 230 HD11 LEU 28 HD11 LEU 28 1.932 3.965 2.294 231 HD12 LEU 28 HD12 LEU 28 1.660 5.634 1.800 232 HD13 LEU 28 HD13 LEU 28 2.874 4.657 0.975 233 HD21 LEU 28 HD21 LEU 28 0.635 6.147 -0.351 234 HD22 LEU 28 HD22 LEU 28 -0.066 4.869 -1.344 235 HD23 LEU 28 HD23 LEU 28 1.683 5.086 -1.290 236 H ILE 29 HN ILE 29 -1.104 1.536 -1.799 237 HA ILE 29 HA ILE 29 -0.070 -1.163 -2.359 238 HB ILE 29 HB ILE 29 -2.767 0.021 -3.015 239 HG12 ILE 29 HG12 ILE 29 -3.352 -2.330 -1.968 240 HG13 ILE 29 HG11 ILE 29 -1.746 -2.184 -1.268 241 HG21 ILE 29 HG21 ILE 29 -1.945 -1.122 -5.010 242 HG22 ILE 29 HG22 ILE 29 -3.262 -2.027 -4.264 243 HG23 ILE 29 HG23 ILE 29 -1.597 -2.561 -4.050 244 HD11 ILE 29 HD11 ILE 29 -3.359 -1.400 0.308 245 HD12 ILE 29 HD12 ILE 29 -4.068 -0.310 -0.885 246 HD13 ILE 29 HD13 ILE 29 -2.436 -0.017 -0.278 247 H LEU 30 HN LEU 30 1.185 -1.349 -4.035 248 HA LEU 30 HA LEU 30 0.894 0.506 -6.302 249 HB2 LEU 30 HB2 LEU 30 3.520 -0.459 -5.151 250 HB3 LEU 30 HB1 LEU 30 3.329 0.568 -6.558 251 HG LEU 30 HG LEU 30 2.468 1.385 -3.788 252 HD11 LEU 30 HD11 LEU 30 4.512 2.700 -3.696 253 HD12 LEU 30 HD12 LEU 30 5.028 2.027 -5.241 254 HD13 LEU 30 HD13 LEU 30 4.877 0.980 -3.830 255 HD21 LEU 30 HD21 LEU 30 2.891 2.917 -6.351 256 HD22 LEU 30 HD22 LEU 30 2.531 3.642 -4.784 257 HD23 LEU 30 HD23 LEU 30 1.349 2.590 -5.562 258 H HIS 31 HN HIS 31 0.635 -0.542 -8.155 259 HA HIS 31 HA HIS 31 0.529 -2.191 -9.709 260 HB2 HIS 31 HB2 HIS 31 2.982 -3.108 -8.211 261 HB3 HIS 31 HB1 HIS 31 2.344 -4.010 -9.579 262 HD1 HIS 31 HD1 HIS 31 2.238 -2.591 -11.896 263 HD2 HIS 31 HD2 HIS 31 4.665 -1.087 -8.876 264 HE1 HIS 31 HE1 HIS 31 3.783 -0.962 -13.021 265 HE2 HIS 31 HE2 HIS 31 5.391 -0.247 -11.217 266 H HIS 32 HN HIS 32 -1.051 -2.300 -7.374 267 HA HIS 32 HA HIS 32 -2.585 -3.616 -6.368 268 HB2 HIS 32 HB2 HIS 32 -1.661 -5.660 -8.397 269 HB3 HIS 32 HB1 HIS 32 -3.039 -5.887 -7.326 270 HD1 HIS 32 HD1 HIS 32 -2.389 -4.996 -10.652 271 HD2 HIS 32 HD2 HIS 32 -4.869 -3.423 -7.714 272 HE1 HIS 32 HE1 HIS 32 -4.141 -3.680 -11.884 273 HE2 HIS 32 HE2 HIS 32 -5.486 -2.560 -10.071 274 H LYS 33 HN LYS 33 0.346 -3.634 -5.606 275 HA LYS 33 HA LYS 33 0.276 -6.058 -3.936 276 HB2 LYS 33 HB2 LYS 33 2.641 -4.449 -4.908 277 HB3 LYS 33 HB1 LYS 33 2.747 -5.771 -3.754 278 HG2 LYS 33 HG2 LYS 33 2.608 -7.335 -5.345 279 HG3 LYS 33 HG1 LYS 33 1.350 -6.469 -6.228 280 HD2 LYS 33 HD2 LYS 33 2.977 -5.048 -7.270 281 HD3 LYS 33 HD1 LYS 33 4.263 -5.701 -6.257 282 HE2 LYS 33 HE2 LYS 33 2.663 -7.325 -8.231 283 HE3 LYS 33 HE1 LYS 33 4.227 -6.595 -8.586 284 HZ1 LYS 33 HZ1 LYS 33 4.495 -8.892 -7.961 285 HZ2 LYS 33 HZ2 LYS 33 3.685 -8.637 -6.504 286 HZ3 LYS 33 HZ3 LYS 33 5.183 -7.904 -6.774 287 H VAL 34 HN VAL 34 0.838 -5.853 -1.731 288 HA VAL 34 HA VAL 34 0.238 -3.196 -0.663 289 HB VAL 34 HB VAL 34 0.445 -5.808 0.844 290 HG11 VAL 34 HG11 VAL 34 -0.843 -4.636 2.567 291 HG12 VAL 34 HG12 VAL 34 -0.827 -3.172 1.587 292 HG13 VAL 34 HG13 VAL 34 0.680 -3.809 2.240 293 HG21 VAL 34 HG21 VAL 34 -1.301 -5.960 -0.852 294 HG22 VAL 34 HG22 VAL 34 -2.002 -4.446 -0.279 295 HG23 VAL 34 HG23 VAL 34 -2.001 -5.868 0.764 296 H TYR 35 HN TYR 35 1.786 -1.912 0.043 297 HA TYR 35 HA TYR 35 4.346 -3.111 0.883 298 HB2 TYR 35 HB2 TYR 35 3.785 -0.461 -0.463 299 HB3 TYR 35 HB1 TYR 35 5.345 -0.890 0.229 300 HD1 TYR 35 HD2 TYR 35 6.712 -2.656 -0.798 301 HD2 TYR 35 HD1 TYR 35 3.056 -1.389 -2.569 302 HE1 TYR 35 HE2 TYR 35 7.363 -3.736 -2.906 303 HE2 TYR 35 HE1 TYR 35 3.703 -2.472 -4.681 304 HH TYR 35 HH TYR 35 6.576 -3.224 -5.557 305 H ASP 36 HN ASP 36 4.953 -2.767 2.936 306 HA ASP 36 HA ASP 36 3.391 -0.874 4.539 307 HB2 ASP 36 HB2 ASP 36 3.368 -2.995 5.569 308 HB3 ASP 36 HB1 ASP 36 5.080 -3.264 5.258 309 H LEU 37 HN LEU 37 4.198 1.019 4.893 310 HA LEU 37 HA LEU 37 7.019 1.304 5.538 311 HB2 LEU 37 HB2 LEU 37 7.303 3.238 4.085 312 HB3 LEU 37 HB1 LEU 37 6.910 1.813 3.149 313 HG LEU 37 HG LEU 37 4.733 3.723 3.907 314 HD11 LEU 37 HD11 LEU 37 6.610 4.042 1.564 315 HD12 LEU 37 HD12 LEU 37 6.517 5.110 2.965 316 HD13 LEU 37 HD13 LEU 37 5.149 4.985 1.859 317 HD21 LEU 37 HD21 LEU 37 3.837 2.943 1.732 318 HD22 LEU 37 HD22 LEU 37 4.072 1.640 2.898 319 HD23 LEU 37 HD23 LEU 37 5.226 1.867 1.583 320 H THR 38 HN THR 38 4.555 1.262 7.011 321 HA THR 38 HA THR 38 3.604 3.824 7.650 322 HB THR 38 HB THR 38 2.548 1.575 8.199 323 HG1 THR 38 HG1 THR 38 2.705 3.725 10.051 324 HG21 THR 38 HG21 THR 38 4.359 1.797 10.611 325 HG22 THR 38 HG22 THR 38 4.469 0.567 9.350 326 HG23 THR 38 HG23 THR 38 3.052 0.628 10.401 327 H LYS 39 HN LYS 39 6.547 2.298 8.485 328 HA LYS 39 HA LYS 39 7.011 4.250 10.635 329 HB2 LYS 39 HB2 LYS 39 8.150 1.534 10.066 330 HB3 LYS 39 HB1 LYS 39 9.094 2.692 10.989 331 HG2 LYS 39 HG2 LYS 39 6.306 1.824 11.725 332 HG3 LYS 39 HG1 LYS 39 7.781 1.111 12.382 333 HD2 LYS 39 HD2 LYS 39 8.425 3.226 13.353 334 HD3 LYS 39 HD1 LYS 39 7.057 4.035 12.587 335 HE2 LYS 39 HE2 LYS 39 5.573 2.445 13.879 336 HE3 LYS 39 HE1 LYS 39 7.012 1.987 14.790 337 HZ1 LYS 39 HZ1 LYS 39 7.267 4.278 15.487 338 HZ2 LYS 39 HZ2 LYS 39 5.737 3.707 15.920 339 HZ3 LYS 39 HZ3 LYS 39 5.909 4.739 14.589 340 H PHE 40 HN PHE 40 7.334 4.120 7.479 341 HA PHE 40 HA PHE 40 9.953 5.477 7.463 342 HB2 PHE 40 HB2 PHE 40 9.458 3.130 6.199 343 HB3 PHE 40 HB1 PHE 40 8.994 4.264 4.936 344 HD1 PHE 40 HD1 PHE 40 11.765 3.408 7.248 345 HD2 PHE 40 HD2 PHE 40 10.611 5.240 3.587 346 HE1 PHE 40 HE1 PHE 40 14.134 3.665 6.635 347 HE2 PHE 40 HE2 PHE 40 12.977 5.503 2.968 348 HZ PHE 40 HZ PHE 40 14.744 4.715 4.489 349 H LEU 41 HN LEU 41 6.817 6.081 7.409 350 HA LEU 41 HA LEU 41 6.295 7.570 5.097 351 HB2 LEU 41 HB2 LEU 41 5.253 8.056 7.888 352 HB3 LEU 41 HB1 LEU 41 4.554 8.691 6.411 353 HG LEU 41 HG LEU 41 4.735 5.752 7.076 354 HD11 LEU 41 HD11 LEU 41 3.257 6.799 8.648 355 HD12 LEU 41 HD12 LEU 41 2.290 5.942 7.448 356 HD13 LEU 41 HD13 LEU 41 2.451 7.696 7.360 357 HD21 LEU 41 HD21 LEU 41 3.330 7.266 4.880 358 HD22 LEU 41 HD22 LEU 41 3.075 5.560 5.241 359 HD23 LEU 41 HD23 LEU 41 4.658 6.118 4.701 360 H GLU 42 HN GLU 42 7.565 8.578 8.236 361 HA GLU 42 HA GLU 42 7.904 11.311 7.520 362 HB2 GLU 42 HB2 GLU 42 9.241 11.391 9.640 363 HB3 GLU 42 HB1 GLU 42 7.616 10.743 9.829 364 HG2 GLU 42 HG2 GLU 42 8.709 8.441 9.586 365 HG3 GLU 42 HG1 GLU 42 10.231 9.284 9.862 366 H GLU 43 HN GLU 43 9.667 8.497 6.882 367 HA GLU 43 HA GLU 43 12.205 9.893 6.494 368 HB2 GLU 43 HB2 GLU 43 11.601 6.962 6.087 369 HB3 GLU 43 HB1 GLU 43 13.185 7.713 6.231 370 HG2 GLU 43 HG2 GLU 43 11.483 8.230 8.525 371 HG3 GLU 43 HG1 GLU 43 11.768 6.512 8.249 372 H HIS 44 HN HIS 44 9.477 9.488 4.774 373 HA HIS 44 HA HIS 44 10.761 8.871 2.234 374 HB2 HIS 44 HB2 HIS 44 8.612 7.795 2.736 375 HB3 HIS 44 HB1 HIS 44 7.848 9.373 2.894 376 HD1 HIS 44 HD1 HIS 44 7.009 10.455 0.767 377 HD2 HIS 44 HD2 HIS 44 9.439 7.151 0.066 378 HE1 HIS 44 HE1 HIS 44 6.856 9.979 -1.705 379 HA PRO 45 HA PRO 45 11.338 13.196 1.403 380 HB2 PRO 45 HB2 PRO 45 11.969 12.912 -1.242 381 HB3 PRO 45 HB1 PRO 45 13.115 12.630 0.076 382 HG2 PRO 45 HG2 PRO 45 11.548 10.651 -1.506 383 HG3 PRO 45 HG1 PRO 45 13.224 10.560 -0.927 384 HD2 PRO 45 HD2 PRO 45 11.204 9.261 0.304 385 HD3 PRO 45 HD1 PRO 45 12.606 9.903 1.185 386 H GLY 46 HN GLY 46 9.868 14.707 0.920 387 HA2 GLY 46 HA2 GLY 46 8.384 15.681 -0.764 388 HA3 GLY 46 HA1 GLY 46 7.806 14.053 -1.093 389 H GLY 47 HN GLY 47 7.904 13.587 1.914 390 HA2 GLY 47 HA2 GLY 47 6.629 14.623 3.762 391 HA3 GLY 47 HA1 GLY 47 5.433 15.069 2.555 392 H GLU 48 HN GLU 48 4.640 13.733 4.774 393 HA GLU 48 HA GLU 48 4.239 10.958 3.884 394 HB2 GLU 48 HB2 GLU 48 3.443 10.657 6.306 395 HB3 GLU 48 HB1 GLU 48 5.165 10.888 6.036 396 HG2 GLU 48 HG2 GLU 48 4.941 13.245 6.635 397 HG3 GLU 48 HG1 GLU 48 3.218 13.009 6.916 398 H GLU 49 HN GLU 49 2.693 13.965 4.326 399 HA GLU 49 HA GLU 49 0.057 13.198 4.860 400 HB2 GLU 49 HB2 GLU 49 0.999 15.542 4.878 401 HB3 GLU 49 HB1 GLU 49 0.895 15.525 3.125 402 HG2 GLU 49 HG2 GLU 49 -1.026 16.638 3.836 403 HG3 GLU 49 HG1 GLU 49 -1.568 15.015 3.417 404 H VAL 50 HN VAL 50 1.817 13.479 1.818 405 HA VAL 50 HA VAL 50 -0.418 12.919 0.144 406 HB VAL 50 HB VAL 50 1.332 12.498 -1.622 407 HG11 VAL 50 HG11 VAL 50 2.003 14.846 -1.760 408 HG12 VAL 50 HG12 VAL 50 1.519 15.083 -0.081 409 HG13 VAL 50 HG13 VAL 50 0.307 14.685 -1.300 410 HG21 VAL 50 HG21 VAL 50 3.647 13.141 -1.093 411 HG22 VAL 50 HG22 VAL 50 3.138 11.715 -0.190 412 HG23 VAL 50 HG23 VAL 50 3.211 13.284 0.609 413 H LEU 51 HN LEU 51 1.472 10.973 2.138 414 HA LEU 51 HA LEU 51 1.130 8.571 0.525 415 HB2 LEU 51 HB2 LEU 51 2.410 8.918 3.237 416 HB3 LEU 51 HB1 LEU 51 2.445 7.461 2.264 417 HG LEU 51 HG LEU 51 3.738 10.087 1.515 418 HD11 LEU 51 HD11 LEU 51 5.838 8.902 1.921 419 HD12 LEU 51 HD12 LEU 51 4.934 7.491 2.472 420 HD13 LEU 51 HD13 LEU 51 4.858 8.997 3.385 421 HD21 LEU 51 HD21 LEU 51 3.765 7.385 0.171 422 HD22 LEU 51 HD22 LEU 51 4.791 8.749 -0.277 423 HD23 LEU 51 HD23 LEU 51 3.040 8.867 -0.455 424 H ARG 52 HN ARG 52 0.122 9.876 3.675 425 HA ARG 52 HA ARG 52 -1.393 7.605 4.403 426 HB2 ARG 52 HB2 ARG 52 -2.474 9.150 6.073 427 HB3 ARG 52 HB1 ARG 52 -0.726 9.032 6.161 428 HG2 ARG 52 HG2 ARG 52 -1.101 11.288 6.430 429 HG3 ARG 52 HG1 ARG 52 -0.736 11.167 4.710 430 HD2 ARG 52 HD2 ARG 52 -2.675 12.633 5.221 431 HD3 ARG 52 HD1 ARG 52 -3.068 11.292 4.147 432 HE ARG 52 HE ARG 52 -4.294 10.289 5.872 433 HH11 ARG 52 HH11 ARG 52 -2.874 13.378 6.823 434 HH12 ARG 52 HH12 ARG 52 -3.947 13.530 8.272 435 HH21 ARG 52 HH21 ARG 52 -5.657 10.461 7.670 436 HH22 ARG 52 HH22 ARG 52 -5.517 11.909 8.737 437 H GLU 53 HN GLU 53 -2.103 10.260 2.301 438 HA GLU 53 HA GLU 53 -4.959 9.891 2.450 439 HB2 GLU 53 HB2 GLU 53 -5.135 11.591 0.777 440 HB3 GLU 53 HB1 GLU 53 -3.896 12.094 1.915 441 HG2 GLU 53 HG2 GLU 53 -2.160 11.399 0.355 442 HG3 GLU 53 HG1 GLU 53 -3.391 10.854 -0.782 443 H GLN 54 HN GLN 54 -2.341 8.516 0.733 444 HA GLN 54 HA GLN 54 -4.127 7.310 -1.261 445 HB2 GLN 54 HB2 GLN 54 -1.115 7.446 -1.080 446 HB3 GLN 54 HB1 GLN 54 -1.984 6.559 -2.323 447 HG2 GLN 54 HG2 GLN 54 -2.258 9.517 -1.852 448 HG3 GLN 54 HG1 GLN 54 -1.175 8.793 -3.036 449 HE21 GLN 54 HE21 GLN 54 -4.487 9.429 -2.187 450 HE22 GLN 54 HE22 GLN 54 -5.157 9.082 -3.740 451 H ALA 55 HN ALA 55 -3.051 6.703 1.741 452 HA ALA 55 HA ALA 55 -2.174 4.015 1.619 453 HB1 ALA 55 HB1 ALA 55 -3.410 5.505 3.931 454 HB2 ALA 55 HB2 ALA 55 -1.698 5.500 3.513 455 HB3 ALA 55 HB3 ALA 55 -2.484 4.008 4.029 456 H GLY 56 HN GLY 56 -3.252 2.158 1.625 457 HA2 GLY 56 HA2 GLY 56 -5.066 0.720 2.017 458 HA3 GLY 56 HA1 GLY 56 -6.098 2.124 2.249 459 H GLY 57 HN GLY 57 -4.365 2.747 -0.470 460 HA2 GLY 57 HA2 GLY 57 -6.194 1.278 -2.239 461 HA3 GLY 57 HA1 GLY 57 -6.126 3.031 -2.347 462 H ASP 58 HN ASP 58 -5.611 1.692 -4.581 463 HA ASP 58 HA ASP 58 -2.786 1.176 -4.880 464 HB2 ASP 58 HB2 ASP 58 -4.532 -0.093 -6.154 465 HB3 ASP 58 HB1 ASP 58 -4.910 1.386 -7.032 466 H ALA 59 HN ALA 59 -1.331 2.710 -5.181 467 HA ALA 59 HA ALA 59 -2.198 5.253 -6.408 468 HB1 ALA 59 HB1 ALA 59 -0.470 6.362 -5.067 469 HB2 ALA 59 HB2 ALA 59 -0.071 4.816 -4.317 470 HB3 ALA 59 HB3 ALA 59 -1.659 5.537 -4.056 471 H THR 60 HN THR 60 -1.143 2.818 -7.679 472 HA THR 60 HA THR 60 1.544 3.016 -8.377 473 HB THR 60 HB THR 60 -0.608 2.062 -10.258 474 HG1 THR 60 HG1 THR 60 -1.127 0.860 -8.558 475 HG21 THR 60 HG21 THR 60 1.116 0.455 -10.946 476 HG22 THR 60 HG22 THR 60 2.245 1.172 -9.796 477 HG23 THR 60 HG23 THR 60 1.663 2.117 -11.169 478 H GLU 61 HN GLU 61 -1.287 4.630 -9.712 479 HA GLU 61 HA GLU 61 -0.228 5.666 -12.055 480 HB2 GLU 61 HB2 GLU 61 -1.909 7.604 -11.532 481 HB3 GLU 61 HB1 GLU 61 -2.505 5.984 -11.871 482 HG2 GLU 61 HG2 GLU 61 -3.639 6.093 -9.971 483 HG3 GLU 61 HG1 GLU 61 -2.097 6.030 -9.119 484 H ASN 62 HN ASN 62 -0.127 7.039 -8.782 485 HA ASN 62 HA ASN 62 1.239 9.420 -9.523 486 HB2 ASN 62 HB2 ASN 62 -0.104 8.725 -7.331 487 HB3 ASN 62 HB1 ASN 62 1.507 8.288 -6.772 488 HD21 ASN 62 HD21 ASN 62 -0.353 10.400 -5.915 489 HD22 ASN 62 HD22 ASN 62 0.533 11.879 -6.039 490 H PHE 63 HN PHE 63 2.246 6.246 -8.450 491 HA PHE 63 HA PHE 63 4.933 6.721 -7.863 492 HB2 PHE 63 HB2 PHE 63 3.591 4.628 -7.415 493 HB3 PHE 63 HB1 PHE 63 3.812 4.206 -9.107 494 HD1 PHE 63 HD2 PHE 63 5.462 4.591 -5.861 495 HD2 PHE 63 HD1 PHE 63 5.926 3.399 -9.919 496 HE1 PHE 63 HE2 PHE 63 7.590 3.490 -5.292 497 HE2 PHE 63 HE1 PHE 63 8.051 2.295 -9.358 498 HZ PHE 63 HZ PHE 63 8.887 2.338 -7.039 499 H GLU 64 HN GLU 64 3.469 5.659 -10.932 500 HA GLU 64 HA GLU 64 5.968 5.779 -12.344 501 HB2 GLU 64 HB2 GLU 64 4.394 5.480 -14.366 502 HB3 GLU 64 HB1 GLU 64 4.513 4.166 -13.201 503 HG2 GLU 64 HG2 GLU 64 2.429 4.686 -12.251 504 HG3 GLU 64 HG1 GLU 64 2.369 6.256 -13.046 505 H ASP 65 HN ASP 65 3.346 7.974 -11.731 506 HA ASP 65 HA ASP 65 3.838 9.759 -13.890 507 HB2 ASP 65 HB2 ASP 65 1.708 9.815 -12.734 508 HB3 ASP 65 HB1 ASP 65 2.500 10.201 -11.212 509 H VAL 66 HN VAL 66 4.911 9.626 -10.536 510 HA VAL 66 HA VAL 66 6.475 12.015 -10.681 511 HB VAL 66 HB VAL 66 6.340 9.760 -8.684 512 HG11 VAL 66 HG11 VAL 66 8.656 10.603 -8.765 513 HG12 VAL 66 HG12 VAL 66 7.856 10.979 -7.241 514 HG13 VAL 66 HG13 VAL 66 8.059 12.233 -8.466 515 HG21 VAL 66 HG21 VAL 66 4.464 11.289 -8.677 516 HG22 VAL 66 HG22 VAL 66 5.553 12.671 -8.568 517 HG23 VAL 66 HG23 VAL 66 5.435 11.531 -7.228 518 H GLY 67 HN GLY 67 7.224 8.538 -10.775 519 HA2 GLY 67 HA2 GLY 67 8.940 7.577 -12.084 520 HA3 GLY 67 HA1 GLY 67 9.688 9.163 -12.225 521 H HIS 68 HN HIS 68 10.002 6.197 -10.825 522 HA HIS 68 HA HIS 68 11.541 7.288 -8.569 523 HB2 HIS 68 HB2 HIS 68 9.958 4.749 -8.842 524 HB3 HIS 68 HB1 HIS 68 11.249 4.885 -7.654 525 HD1 HIS 68 HD1 HIS 68 8.118 6.905 -8.578 526 HD2 HIS 68 HD2 HIS 68 10.370 5.732 -5.286 527 HE1 HIS 68 HE1 HIS 68 6.911 7.788 -6.540 528 H SER 69 HN SER 69 13.591 6.536 -8.191 529 HA SER 69 HA SER 69 15.082 5.671 -10.440 530 HB2 SER 69 HB2 SER 69 16.903 5.444 -8.573 531 HB3 SER 69 HB1 SER 69 16.278 7.044 -8.973 532 HG SER 69 HG SER 69 15.665 7.186 -6.971 533 H THR 70 HN THR 70 16.628 3.783 -10.318 534 HA THR 70 HA THR 70 15.219 1.375 -10.131 535 HB THR 70 HB THR 70 18.147 1.186 -9.823 536 HG1 THR 70 HG1 THR 70 17.445 2.050 -12.352 537 HG21 THR 70 HG21 THR 70 16.332 0.222 -12.028 538 HG22 THR 70 HG22 THR 70 16.585 -0.658 -10.521 539 HG23 THR 70 HG23 THR 70 17.939 -0.374 -11.616 540 H ASP 71 HN ASP 71 17.543 2.882 -7.934 541 HA ASP 71 HA ASP 71 17.621 0.803 -6.038 542 HB2 ASP 71 HB2 ASP 71 19.299 2.612 -6.155 543 HB3 ASP 71 HB1 ASP 71 18.081 3.767 -5.624 544 H ALA 72 HN ALA 72 15.477 3.547 -6.465 545 HA ALA 72 HA ALA 72 14.179 3.403 -3.960 546 HB1 ALA 72 HB1 ALA 72 13.084 4.487 -6.548 547 HB2 ALA 72 HB2 ALA 72 14.129 5.374 -5.442 548 HB3 ALA 72 HB3 ALA 72 12.523 4.868 -4.920 549 H ARG 73 HN ARG 73 13.274 2.106 -7.164 550 HA ARG 73 HA ARG 73 10.882 0.914 -6.222 551 HB2 ARG 73 HB2 ARG 73 10.919 -0.363 -8.368 552 HB3 ARG 73 HB1 ARG 73 11.044 1.379 -8.555 553 HG2 ARG 73 HG2 ARG 73 12.787 1.006 -9.869 554 HG3 ARG 73 HG1 ARG 73 13.675 0.516 -8.427 555 HD2 ARG 73 HD2 ARG 73 13.880 -1.208 -10.082 556 HD3 ARG 73 HD1 ARG 73 12.860 -1.795 -8.770 557 HE ARG 73 HE ARG 73 11.534 -0.658 -11.110 558 HH11 ARG 73 HH11 ARG 73 12.498 -3.498 -9.258 559 HH12 ARG 73 HH12 ARG 73 11.317 -4.575 -10.108 560 HH21 ARG 73 HH21 ARG 73 10.047 -1.991 -12.209 561 HH22 ARG 73 HH22 ARG 73 9.951 -3.736 -11.760 562 H GLU 74 HN GLU 74 14.186 -0.102 -6.145 563 HA GLU 74 HA GLU 74 13.497 -2.861 -5.585 564 HB2 GLU 74 HB2 GLU 74 16.139 -1.397 -5.598 565 HB3 GLU 74 HB1 GLU 74 15.971 -3.100 -5.190 566 HG2 GLU 74 HG2 GLU 74 15.286 -1.815 -7.825 567 HG3 GLU 74 HG1 GLU 74 16.669 -2.854 -7.486 568 H LEU 75 HN LEU 75 13.677 0.019 -3.870 569 HA LEU 75 HA LEU 75 14.559 -1.042 -1.350 570 HB2 LEU 75 HB2 LEU 75 14.878 1.321 -1.892 571 HB3 LEU 75 HB1 LEU 75 13.145 1.538 -2.043 572 HG LEU 75 HG LEU 75 13.022 0.827 0.424 573 HD11 LEU 75 HD11 LEU 75 15.011 1.230 1.743 574 HD12 LEU 75 HD12 LEU 75 15.935 1.576 0.280 575 HD13 LEU 75 HD13 LEU 75 15.307 -0.048 0.563 576 HD21 LEU 75 HD21 LEU 75 13.490 3.110 1.168 577 HD22 LEU 75 HD22 LEU 75 12.594 3.090 -0.353 578 HD23 LEU 75 HD23 LEU 75 14.326 3.432 -0.353 579 H SER 76 HN SER 76 11.510 -0.429 -2.961 580 HA SER 76 HA SER 76 9.803 -0.848 -0.757 581 HB2 SER 76 HB2 SER 76 8.721 -1.620 -3.366 582 HB3 SER 76 HB1 SER 76 8.187 -0.358 -2.252 583 HG SER 76 HG SER 76 9.119 1.001 -3.545 584 H LYS 77 HN LYS 77 11.722 -2.984 -2.504 585 HA LYS 77 HA LYS 77 10.242 -5.338 -2.614 586 HB2 LYS 77 HB2 LYS 77 12.469 -4.879 -3.667 587 HB3 LYS 77 HB1 LYS 77 13.204 -5.090 -2.088 588 HG2 LYS 77 HG2 LYS 77 12.362 -7.397 -2.025 589 HG3 LYS 77 HG1 LYS 77 11.695 -7.176 -3.647 590 HD2 LYS 77 HD2 LYS 77 13.990 -6.632 -4.444 591 HD3 LYS 77 HD1 LYS 77 14.596 -7.024 -2.836 592 HE2 LYS 77 HE2 LYS 77 13.875 -9.301 -3.057 593 HE3 LYS 77 HE1 LYS 77 13.066 -8.944 -4.584 594 HZ1 LYS 77 HZ1 LYS 77 15.168 -9.986 -5.011 595 HZ2 LYS 77 HZ2 LYS 77 15.983 -8.850 -4.063 596 HZ3 LYS 77 HZ3 LYS 77 15.253 -8.372 -5.509 597 H THR 78 HN THR 78 11.931 -3.848 0.088 598 HA THR 78 HA THR 78 11.561 -6.213 1.729 599 HB THR 78 HB THR 78 13.621 -4.826 1.931 600 HG1 THR 78 HG1 THR 78 13.740 -5.392 3.974 601 HG21 THR 78 HG21 THR 78 12.671 -2.604 1.683 602 HG22 THR 78 HG22 THR 78 13.508 -2.740 3.229 603 HG23 THR 78 HG23 THR 78 11.747 -2.809 3.171 604 H PHE 79 HN PHE 79 9.869 -3.357 0.981 605 HA PHE 79 HA PHE 79 8.398 -3.236 3.464 606 HB2 PHE 79 HB2 PHE 79 8.070 -1.727 0.866 607 HB3 PHE 79 HB1 PHE 79 7.111 -1.433 2.313 608 HD1 PHE 79 HD2 PHE 79 9.333 -1.738 4.351 609 HD2 PHE 79 HD1 PHE 79 9.133 0.346 0.645 610 HE1 PHE 79 HE2 PHE 79 11.037 -0.161 5.152 611 HE2 PHE 79 HE1 PHE 79 10.841 1.930 1.442 612 HZ PHE 79 HZ PHE 79 11.797 1.674 3.700 613 H ILE 80 HN ILE 80 8.009 -4.720 0.342 614 HA ILE 80 HA ILE 80 5.186 -5.021 0.471 615 HB ILE 80 HB ILE 80 6.396 -5.217 -1.652 616 HG12 ILE 80 HG12 ILE 80 4.927 -7.755 -0.914 617 HG13 ILE 80 HG11 ILE 80 4.165 -6.239 -1.382 618 HG21 ILE 80 HG21 ILE 80 8.386 -6.389 -0.825 619 HG22 ILE 80 HG22 ILE 80 7.678 -7.187 -2.228 620 HG23 ILE 80 HG23 ILE 80 7.425 -7.851 -0.616 621 HD11 ILE 80 HD11 ILE 80 4.181 -7.768 -3.238 622 HD12 ILE 80 HD12 ILE 80 5.930 -7.963 -3.101 623 HD13 ILE 80 HD13 ILE 80 5.251 -6.405 -3.581 624 H ILE 81 HN ILE 81 3.988 -6.330 1.629 625 HA ILE 81 HA ILE 81 5.240 -8.720 2.819 626 HB ILE 81 HB ILE 81 3.888 -8.492 4.797 627 HG12 ILE 81 HG12 ILE 81 1.969 -7.314 3.523 628 HG13 ILE 81 HG11 ILE 81 2.258 -6.855 5.195 629 HG21 ILE 81 HG21 ILE 81 5.299 -5.910 4.153 630 HG22 ILE 81 HG22 ILE 81 6.025 -7.371 4.824 631 HG23 ILE 81 HG23 ILE 81 4.851 -6.455 5.771 632 HD11 ILE 81 HD11 ILE 81 3.502 -4.882 4.393 633 HD12 ILE 81 HD12 ILE 81 1.814 -4.899 3.886 634 HD13 ILE 81 HD13 ILE 81 3.083 -5.325 2.740 635 H GLY 82 HN GLY 82 3.014 -7.648 0.653 636 HA2 GLY 82 HA2 GLY 82 1.885 -10.147 0.169 637 HA3 GLY 82 HA1 GLY 82 0.761 -9.253 1.182 638 H GLU 83 HN GLU 83 -0.561 -9.630 -0.828 639 HA GLU 83 HA GLU 83 -0.484 -7.204 -2.394 640 HB2 GLU 83 HB2 GLU 83 -0.699 -8.474 -4.561 641 HB3 GLU 83 HB1 GLU 83 0.895 -8.490 -3.829 642 HG2 GLU 83 HG2 GLU 83 0.367 -10.741 -2.901 643 HG3 GLU 83 HG1 GLU 83 -1.129 -10.712 -3.836 644 H LEU 84 HN LEU 84 -2.390 -7.339 -4.082 645 HA LEU 84 HA LEU 84 -4.747 -7.710 -2.502 646 HB2 LEU 84 HB2 LEU 84 -4.055 -6.523 -5.102 647 HB3 LEU 84 HB1 LEU 84 -5.669 -7.196 -5.014 648 HG LEU 84 HG LEU 84 -5.674 -4.813 -4.513 649 HD11 LEU 84 HD11 LEU 84 -6.910 -4.876 -2.422 650 HD12 LEU 84 HD12 LEU 84 -6.251 -6.470 -2.057 651 HD13 LEU 84 HD13 LEU 84 -7.336 -6.257 -3.431 652 HD21 LEU 84 HD21 LEU 84 -3.416 -4.601 -3.628 653 HD22 LEU 84 HD22 LEU 84 -3.874 -5.527 -2.200 654 HD23 LEU 84 HD23 LEU 84 -4.598 -3.946 -2.495 655 H HIS 85 HN HIS 85 -6.636 -8.870 -3.219 656 HA HIS 85 HA HIS 85 -6.049 -11.589 -3.846 657 HB2 HIS 85 HB2 HIS 85 -8.444 -10.001 -3.115 658 HB3 HIS 85 HB1 HIS 85 -8.741 -11.470 -4.032 659 HD1 HIS 85 HD1 HIS 85 -9.567 -13.091 -2.347 660 HD2 HIS 85 HD2 HIS 85 -6.232 -11.009 -1.005 661 HE1 HIS 85 HE1 HIS 85 -8.974 -14.123 -0.132 662 HE2 HIS 85 HE2 HIS 85 -6.855 -12.956 0.580 663 HA PRO 86 HA PRO 86 -6.409 -11.662 -8.241 664 HB2 PRO 86 HB2 PRO 86 -7.967 -13.915 -8.604 665 HB3 PRO 86 HB1 PRO 86 -6.222 -13.933 -8.323 666 HG2 PRO 86 HG2 PRO 86 -8.441 -14.397 -6.393 667 HG3 PRO 86 HG1 PRO 86 -6.867 -15.206 -6.522 668 HD2 PRO 86 HD2 PRO 86 -7.333 -13.350 -4.646 669 HD3 PRO 86 HD1 PRO 86 -5.749 -13.509 -5.433 670 H ASP 87 HN ASP 87 -9.422 -12.210 -6.453 671 HA ASP 87 HA ASP 87 -11.160 -11.569 -8.595 672 HB2 ASP 87 HB2 ASP 87 -11.546 -11.673 -5.607 673 HB3 ASP 87 HB1 ASP 87 -12.845 -11.190 -6.693 674 H ASP 88 HN ASP 88 -9.647 -9.653 -6.068 675 HA ASP 88 HA ASP 88 -11.061 -7.242 -6.836 676 HB2 ASP 88 HB2 ASP 88 -8.753 -7.587 -4.901 677 HB3 ASP 88 HB1 ASP 88 -9.762 -6.154 -5.072 678 H ARG 89 HN ARG 89 -8.896 -8.852 -8.441 679 HA ARG 89 HA ARG 89 -7.304 -6.492 -9.192 680 HB2 ARG 89 HB2 ARG 89 -6.074 -8.438 -8.130 681 HB3 ARG 89 HB1 ARG 89 -6.472 -9.366 -9.568 682 HG2 ARG 89 HG2 ARG 89 -5.284 -7.662 -10.930 683 HG3 ARG 89 HG1 ARG 89 -4.793 -6.873 -9.427 684 HD2 ARG 89 HD2 ARG 89 -4.083 -9.648 -10.362 685 HD3 ARG 89 HD1 ARG 89 -2.997 -8.278 -10.153 686 HE ARG 89 HE ARG 89 -4.396 -9.190 -7.774 687 HH11 ARG 89 HH11 ARG 89 -1.463 -9.223 -9.706 688 HH12 ARG 89 HH12 ARG 89 -0.440 -9.824 -8.347 689 HH21 ARG 89 HH21 ARG 89 -3.133 -9.954 -6.018 690 HH22 ARG 89 HH22 ARG 89 -1.364 -10.246 -6.298 691 H SER 90 HN SER 90 -8.587 -9.559 -10.493 692 HA SER 90 HA SER 90 -8.935 -8.161 -13.064 693 HB2 SER 90 HB2 SER 90 -8.302 -11.092 -12.663 694 HB3 SER 90 HB1 SER 90 -8.466 -10.257 -14.209 695 HG SER 90 HG SER 90 -6.645 -9.044 -13.719 696 H LYS 91 HN LYS 91 -10.997 -8.004 -11.291 697 HA LYS 91 HA LYS 91 -13.098 -9.241 -12.761 698 HB2 LYS 91 HB2 LYS 91 -12.059 -10.764 -10.622 699 HB3 LYS 91 HB1 LYS 91 -13.598 -10.123 -10.065 700 HG2 LYS 91 HG2 LYS 91 -14.777 -11.165 -11.823 701 HG3 LYS 91 HG1 LYS 91 -13.294 -11.536 -12.700 702 HD2 LYS 91 HD2 LYS 91 -13.832 -12.656 -9.967 703 HD3 LYS 91 HD1 LYS 91 -14.430 -13.443 -11.428 704 HE2 LYS 91 HE2 LYS 91 -12.228 -13.771 -12.254 705 HE3 LYS 91 HE1 LYS 91 -11.536 -12.733 -11.010 706 HZ1 LYS 91 HZ1 LYS 91 -11.143 -14.963 -10.376 707 HZ2 LYS 91 HZ2 LYS 91 -12.750 -15.411 -10.646 708 HZ3 LYS 91 HZ3 LYS 91 -12.365 -14.383 -9.354 709 H LEU 92 HN LEU 92 -12.568 -8.113 -9.416 710 HA LEU 92 HA LEU 92 -13.464 -6.416 -8.205 711 HB2 LEU 92 HB2 LEU 92 -13.806 -5.348 -10.981 712 HB3 LEU 92 HB1 LEU 92 -14.557 -4.505 -9.642 713 HG LEU 92 HG LEU 92 -12.498 -3.414 -10.065 714 HD11 LEU 92 HD11 LEU 92 -11.384 -3.564 -7.979 715 HD12 LEU 92 HD12 LEU 92 -11.914 -5.227 -7.738 716 HD13 LEU 92 HD13 LEU 92 -13.086 -3.911 -7.672 717 HD21 LEU 92 HD21 LEU 92 -11.198 -6.133 -9.957 718 HD22 LEU 92 HD22 LEU 92 -10.335 -4.600 -10.062 719 HD23 LEU 92 HD23 LEU 92 -11.385 -5.114 -11.383 720 H SER 93 HN SER 93 -15.053 -8.748 -9.011 721 HA SER 93 HA SER 93 -17.768 -7.769 -9.250 722 HB2 SER 93 HB2 SER 93 -17.132 -10.634 -8.678 723 HB3 SER 93 HB1 SER 93 -18.349 -9.950 -9.755 724 HG SER 93 HG SER 93 -16.830 -9.588 -11.277 725 H LYS 94 HN LYS 94 -17.223 -6.579 -7.095 726 HA LYS 94 HA LYS 94 -18.420 -8.166 -4.946 727 HB2 LYS 94 HB2 LYS 94 -15.791 -6.712 -4.825 728 HB3 LYS 94 HB1 LYS 94 -16.764 -6.904 -3.375 729 HG2 LYS 94 HG2 LYS 94 -16.549 -9.240 -3.405 730 HG3 LYS 94 HG1 LYS 94 -15.983 -9.246 -5.076 731 HD2 LYS 94 HD2 LYS 94 -14.087 -9.648 -3.683 732 HD3 LYS 94 HD1 LYS 94 -13.948 -8.001 -4.298 733 HE2 LYS 94 HE2 LYS 94 -14.793 -7.124 -2.189 734 HE3 LYS 94 HE1 LYS 94 -15.007 -8.762 -1.579 735 HZ1 LYS 94 HZ1 LYS 94 -12.947 -7.672 -0.789 736 HZ2 LYS 94 HZ2 LYS 94 -12.387 -7.619 -2.396 737 HZ3 LYS 94 HZ3 LYS 94 -12.655 -9.109 -1.639 738 HA PRO 95 HA PRO 95 -20.794 -4.414 -4.615 739 HB2 PRO 95 HB2 PRO 95 -22.090 -4.953 -2.299 740 HB3 PRO 95 HB1 PRO 95 -22.498 -5.762 -3.819 741 HG2 PRO 95 HG2 PRO 95 -20.858 -6.763 -1.540 742 HG3 PRO 95 HG1 PRO 95 -22.053 -7.624 -2.530 743 HD2 PRO 95 HD2 PRO 95 -19.364 -7.856 -2.904 744 HD3 PRO 95 HD1 PRO 95 -20.554 -8.056 -4.204 745 H MET 96 HN MET 96 -20.423 -2.423 -3.711 746 HA MET 96 HA MET 96 -18.386 -2.320 -1.616 747 HB2 MET 96 HB2 MET 96 -18.135 -1.007 -3.769 748 HB3 MET 96 HB1 MET 96 -19.456 0.005 -3.205 749 HG2 MET 96 HG2 MET 96 -18.205 0.848 -1.413 750 HG3 MET 96 HG1 MET 96 -16.992 -0.422 -1.554 751 HE1 MET 96 HE1 MET 96 -18.417 2.900 -3.095 752 HE2 MET 96 HE2 MET 96 -18.646 1.726 -4.391 753 HE3 MET 96 HE3 MET 96 -17.473 3.028 -4.580 754 H GLU 97 HN GLU 97 -21.393 -0.547 -2.395 755 HA GLU 97 HA GLU 97 -23.075 0.265 -1.107 756 HB2 GLU 97 HB2 GLU 97 -22.980 -2.072 -0.120 757 HB3 GLU 97 HB1 GLU 97 -22.016 -1.390 1.183 758 HG2 GLU 97 HG2 GLU 97 -24.234 -1.478 1.967 759 HG3 GLU 97 HG1 GLU 97 -23.905 0.214 1.601 760 H THR 98 HN THR 98 -22.869 2.366 -0.686 761 HA THR 98 HA THR 98 -21.646 3.253 1.731 762 HB THR 98 HB THR 98 -19.622 2.980 0.333 763 HG1 THR 98 HG1 THR 98 -18.879 4.691 1.320 764 HG21 THR 98 HG21 THR 98 -20.499 3.361 -1.872 765 HG22 THR 98 HG22 THR 98 -19.276 4.591 -1.548 766 HG23 THR 98 HG23 THR 98 -20.989 5.001 -1.446 767 H LEU 99 HN LEU 99 -21.561 5.747 1.738 768 HA LEU 99 HA LEU 99 -22.709 7.694 1.761 769 HB2 LEU 99 HB2 LEU 99 -23.339 6.831 -1.059 770 HB3 LEU 99 HB1 LEU 99 -23.718 8.417 -0.415 771 HG LEU 99 HG LEU 99 -20.921 7.286 -0.595 772 HD11 LEU 99 HD11 LEU 99 -21.708 7.565 -2.825 773 HD12 LEU 99 HD12 LEU 99 -20.674 8.944 -2.451 774 HD13 LEU 99 HD13 LEU 99 -22.426 9.127 -2.436 775 HD21 LEU 99 HD21 LEU 99 -21.135 8.964 1.138 776 HD22 LEU 99 HD22 LEU 99 -21.955 10.052 0.020 777 HD23 LEU 99 HD23 LEU 99 -20.261 9.640 -0.237 778 H ILE 100 HN ILE 100 -24.070 5.401 2.809 779 HA ILE 100 HA ILE 100 -26.860 5.924 2.070 780 HB ILE 100 HB ILE 100 -27.414 3.929 3.424 781 HG12 ILE 100 HG12 ILE 100 -24.434 3.463 3.578 782 HG13 ILE 100 HG11 ILE 100 -25.376 4.118 4.911 783 HG21 ILE 100 HG21 ILE 100 -25.370 3.547 1.248 784 HG22 ILE 100 HG22 ILE 100 -27.116 3.682 1.057 785 HG23 ILE 100 HG23 ILE 100 -26.423 2.277 1.867 786 HD11 ILE 100 HD11 ILE 100 -24.979 1.729 5.169 787 HD12 ILE 100 HD12 ILE 100 -25.785 1.425 3.632 788 HD13 ILE 100 HD13 ILE 100 -26.697 2.079 4.990 789 H THR 101 HN THR 101 -24.642 7.014 4.235 790 HA THR 101 HA THR 101 -26.699 7.611 6.253 791 HB THR 101 HB THR 101 -23.718 7.492 6.746 792 HG1 THR 101 HG1 THR 101 -25.722 5.546 7.340 793 HG21 THR 101 HG21 THR 101 -24.386 7.462 9.112 794 HG22 THR 101 HG22 THR 101 -26.076 7.599 8.631 795 HG23 THR 101 HG23 THR 101 -24.954 8.919 8.298 796 H THR 102 HN THR 102 -27.245 9.692 6.364 797 HA THR 102 HA THR 102 -25.847 11.691 4.884 798 HB THR 102 HB THR 102 -27.847 12.511 6.915 799 HG1 THR 102 HG1 THR 102 -29.547 11.612 5.621 800 HG21 THR 102 HG21 THR 102 -27.011 14.082 5.234 801 HG22 THR 102 HG22 THR 102 -28.732 13.781 4.996 802 HG23 THR 102 HG23 THR 102 -27.549 13.003 3.945 803 H VAL 103 HN VAL 103 -24.066 12.676 5.563 804 HA VAL 103 HA VAL 103 -23.652 13.016 8.460 805 HB VAL 103 HB VAL 103 -21.237 13.047 8.018 806 HG11 VAL 103 HG11 VAL 103 -22.598 10.599 6.895 807 HG12 VAL 103 HG12 VAL 103 -22.333 10.939 8.605 808 HG13 VAL 103 HG13 VAL 103 -20.957 10.675 7.536 809 HG21 VAL 103 HG21 VAL 103 -20.370 12.388 5.815 810 HG22 VAL 103 HG22 VAL 103 -21.266 13.905 5.741 811 HG23 VAL 103 HG23 VAL 103 -22.011 12.414 5.172 812 H ASP 104 HN ASP 104 -24.757 14.744 6.055 813 HA ASP 104 HA ASP 104 -23.555 17.206 7.054 814 HB2 ASP 104 HB2 ASP 104 -23.035 18.111 4.946 815 HB3 ASP 104 HB1 ASP 104 -22.438 16.459 4.850 816 HHB HEM 400 HB HEM 400 11.211 4.591 -1.832 817 HHC HEM 400 HC HEM 400 4.959 5.038 -2.696 818 HHD HEM 400 HD HEM 400 5.660 10.995 -4.712 819 HMA HEM 400 HMA1 HEM 400 13.122 5.121 -1.488 820 HMAA HEM 400 HMA2 HEM 400 14.227 6.466 -1.429 821 HMAB HEM 400 HMA3 HEM 400 14.183 5.507 -2.889 822 HAA HEM 400 HAA1 HEM 400 14.358 9.093 -2.368 823 HAAA HEM 400 HAA2 HEM 400 13.798 9.654 -3.936 824 HBA HEM 400 HBA1 HEM 400 14.554 7.091 -4.527 825 HBAA HEM 400 HBA2 HEM 400 15.723 7.522 -3.281 826 HMB HEM 400 HMB1 HEM 400 9.637 1.974 -2.022 827 HMBA HEM 400 HMB2 HEM 400 8.765 2.166 -0.495 828 HMBB HEM 400 HMB3 HEM 400 10.290 3.005 -0.765 829 HAB HEM 400 HAB HEM 400 6.499 1.895 -1.915 830 HBB HEM 400 HBB1 HEM 400 4.772 4.234 -0.769 831 HBBA HEM 400 HBB2 HEM 400 4.353 2.362 -0.871 832 HMC HEM 400 HMC1 HEM 400 2.109 7.354 -3.683 833 HMCA HEM 400 HMC2 HEM 400 2.856 6.329 -2.454 834 HMCB HEM 400 HMC3 HEM 400 2.928 5.879 -4.161 835 HAC HEM 400 HAC HEM 400 3.337 10.174 -5.276 836 HBC HEM 400 HBC1 HEM 400 2.087 9.397 -2.512 837 HBCA HEM 400 HBC2 HEM 400 1.419 10.624 -3.831 838 HMD HEM 400 HMD1 HEM 400 6.467 12.861 -4.991 839 HMDA HEM 400 HMD2 HEM 400 7.581 13.052 -6.345 840 HMDB HEM 400 HMD3 HEM 400 7.916 13.825 -4.793 841 HAD HEM 400 HAD1 HEM 400 10.128 13.571 -5.289 842 HADA HEM 400 HAD2 HEM 400 11.307 12.748 -4.278 843 HBD HEM 400 HBD1 HEM 400 10.920 11.394 -6.839 844 HBDA HEM 400 HBD2 HEM 400 12.412 11.948 -6.080 845 HHA HEM 400 HA HEM 400 11.945 10.436 -4.159 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 21.255 -13.501 16.951 2 H2 MET 1 HT2 MET 1 21.917 -13.404 18.502 3 H3 MET 1 HT3 MET 1 21.195 -12.045 17.804 4 HA MET 1 HA MET 1 19.778 -14.553 18.466 5 HB2 MET 1 HB2 MET 1 20.528 -13.404 20.498 6 HB3 MET 1 HB1 MET 1 19.818 -11.903 19.924 7 HG2 MET 1 HG2 MET 1 17.595 -12.947 19.997 8 HG3 MET 1 HG1 MET 1 18.327 -14.417 20.639 9 HE1 MET 1 HE1 MET 1 19.295 -14.703 22.969 10 HE2 MET 1 HE2 MET 1 19.477 -13.425 24.172 11 HE3 MET 1 HE3 MET 1 20.480 -13.419 22.721 12 H ALA 2 HN ALA 2 19.178 -11.044 18.122 13 HA ALA 2 HA ALA 2 16.606 -11.587 16.925 14 HB1 ALA 2 HB1 ALA 2 17.043 -9.705 18.527 15 HB2 ALA 2 HB2 ALA 2 16.231 -9.245 17.032 16 HB3 ALA 2 HB3 ALA 2 17.950 -8.912 17.239 17 H ALA 3 HN ALA 3 17.174 -12.648 15.003 18 HA ALA 3 HA ALA 3 17.917 -10.822 12.852 19 HB1 ALA 3 HB1 ALA 3 20.029 -11.843 13.488 20 HB2 ALA 3 HB2 ALA 3 19.518 -12.420 11.902 21 HB3 ALA 3 HB3 ALA 3 19.320 -13.450 13.319 22 H GLN 4 HN GLN 4 16.335 -10.979 11.395 23 HA GLN 4 HA GLN 4 15.413 -13.585 10.532 24 HB2 GLN 4 HB2 GLN 4 12.983 -12.788 10.790 25 HB3 GLN 4 HB1 GLN 4 13.817 -13.365 12.229 26 HG2 GLN 4 HG2 GLN 4 14.218 -11.093 12.950 27 HG3 GLN 4 HG1 GLN 4 13.503 -10.469 11.465 28 HE21 GLN 4 HE21 GLN 4 11.924 -9.323 12.508 29 HE22 GLN 4 HE22 GLN 4 10.585 -10.076 13.301 30 H SER 5 HN SER 5 15.120 -13.598 8.421 31 HA SER 5 HA SER 5 14.433 -11.095 7.049 32 HB2 SER 5 HB2 SER 5 16.180 -12.817 5.472 33 HB3 SER 5 HB1 SER 5 16.313 -11.092 5.799 34 HG SER 5 HG SER 5 17.236 -13.252 7.383 35 H ASP 6 HN ASP 6 12.449 -12.643 7.604 36 HA ASP 6 HA ASP 6 12.039 -14.731 5.641 37 HB2 ASP 6 HB2 ASP 6 10.400 -13.648 7.924 38 HB3 ASP 6 HB1 ASP 6 9.712 -14.772 6.757 39 H LYS 7 HN LYS 7 11.168 -14.432 3.704 40 HA LYS 7 HA LYS 7 9.639 -11.956 3.238 41 HB2 LYS 7 HB2 LYS 7 11.517 -13.510 1.488 42 HB3 LYS 7 HB1 LYS 7 10.261 -12.521 0.761 43 HG2 LYS 7 HG2 LYS 7 12.286 -11.474 2.722 44 HG3 LYS 7 HG1 LYS 7 12.484 -11.410 0.970 45 HD2 LYS 7 HD2 LYS 7 10.299 -10.163 0.879 46 HD3 LYS 7 HD1 LYS 7 10.364 -10.067 2.639 47 HE2 LYS 7 HE2 LYS 7 12.495 -9.014 0.784 48 HE3 LYS 7 HE1 LYS 7 11.213 -8.036 1.492 49 HZ1 LYS 7 HZ1 LYS 7 13.349 -9.485 2.960 50 HZ2 LYS 7 HZ2 LYS 7 12.064 -8.674 3.702 51 HZ3 LYS 7 HZ3 LYS 7 13.196 -7.809 2.791 52 H ASP 8 HN ASP 8 7.535 -12.312 3.124 53 HA ASP 8 HA ASP 8 6.576 -14.660 1.660 54 HB2 ASP 8 HB2 ASP 8 6.556 -15.097 4.144 55 HB3 ASP 8 HB1 ASP 8 5.396 -13.782 4.302 56 H VAL 9 HN VAL 9 4.249 -14.459 1.099 57 HA VAL 9 HA VAL 9 3.393 -11.658 0.874 58 HB VAL 9 HB VAL 9 4.324 -12.133 -1.279 59 HG11 VAL 9 HG11 VAL 9 2.688 -14.663 -1.238 60 HG12 VAL 9 HG12 VAL 9 4.447 -14.529 -1.226 61 HG13 VAL 9 HG13 VAL 9 3.534 -14.047 -2.657 62 HG21 VAL 9 HG21 VAL 9 1.323 -12.269 -1.237 63 HG22 VAL 9 HG22 VAL 9 2.237 -12.151 -2.742 64 HG23 VAL 9 HG23 VAL 9 2.359 -10.871 -1.533 65 H LYS 10 HN LYS 10 1.563 -11.520 2.006 66 HA LYS 10 HA LYS 10 -0.289 -13.800 1.960 67 HB2 LYS 10 HB2 LYS 10 0.406 -13.012 4.190 68 HB3 LYS 10 HB1 LYS 10 -0.220 -11.411 3.819 69 HG2 LYS 10 HG2 LYS 10 -2.409 -12.071 3.996 70 HG3 LYS 10 HG1 LYS 10 -2.044 -13.753 3.611 71 HD2 LYS 10 HD2 LYS 10 -1.053 -12.499 6.148 72 HD3 LYS 10 HD1 LYS 10 -2.691 -13.140 6.032 73 HE2 LYS 10 HE2 LYS 10 -0.187 -14.711 5.443 74 HE3 LYS 10 HE1 LYS 10 -1.064 -14.763 6.969 75 HZ1 LYS 10 HZ1 LYS 10 -3.012 -15.559 5.726 76 HZ2 LYS 10 HZ2 LYS 10 -1.702 -16.614 5.608 77 HZ3 LYS 10 HZ3 LYS 10 -2.091 -15.601 4.311 78 H TYR 11 HN TYR 11 -1.954 -13.693 0.635 79 HA TYR 11 HA TYR 11 -2.631 -11.295 -0.745 80 HB2 TYR 11 HB2 TYR 11 -3.579 -14.118 -0.777 81 HB3 TYR 11 HB1 TYR 11 -4.646 -12.888 -1.448 82 HD1 TYR 11 HD2 TYR 11 -1.064 -13.949 -1.629 83 HD2 TYR 11 HD1 TYR 11 -4.428 -12.348 -3.683 84 HE1 TYR 11 HE2 TYR 11 0.219 -13.963 -3.725 85 HE2 TYR 11 HE1 TYR 11 -3.150 -12.358 -5.784 86 HH TYR 11 HH TYR 11 -0.399 -12.250 -6.263 87 H TYR 12 HN TYR 12 -3.675 -9.694 0.163 88 HA TYR 12 HA TYR 12 -5.696 -10.258 2.215 89 HB2 TYR 12 HB2 TYR 12 -4.100 -7.793 1.532 90 HB3 TYR 12 HB1 TYR 12 -5.502 -7.730 2.589 91 HD1 TYR 12 HD2 TYR 12 -5.400 -9.643 4.513 92 HD2 TYR 12 HD1 TYR 12 -2.048 -7.883 2.567 93 HE1 TYR 12 HE2 TYR 12 -3.985 -10.220 6.439 94 HE2 TYR 12 HE1 TYR 12 -0.626 -8.455 4.489 95 HH TYR 12 HH TYR 12 -1.707 -10.528 7.039 96 H THR 13 HN THR 13 -7.668 -9.005 2.193 97 HA THR 13 HA THR 13 -8.801 -8.800 -0.452 98 HB THR 13 HB THR 13 -10.553 -7.807 1.599 99 HG1 THR 13 HG1 THR 13 -10.077 -9.050 3.257 100 HG21 THR 13 HG21 THR 13 -11.876 -9.779 0.985 101 HG22 THR 13 HG22 THR 13 -10.491 -10.433 0.110 102 HG23 THR 13 HG23 THR 13 -11.265 -8.948 -0.444 103 H LEU 14 HN LEU 14 -9.832 -6.837 -1.264 104 HA LEU 14 HA LEU 14 -8.244 -4.542 -1.021 105 HB2 LEU 14 HB2 LEU 14 -9.824 -5.167 -2.900 106 HB3 LEU 14 HB1 LEU 14 -11.120 -4.555 -1.897 107 HG LEU 14 HG LEU 14 -9.951 -2.335 -1.864 108 HD11 LEU 14 HD11 LEU 14 -8.277 -1.914 -3.593 109 HD12 LEU 14 HD12 LEU 14 -8.275 -3.624 -4.015 110 HD13 LEU 14 HD13 LEU 14 -7.708 -3.106 -2.428 111 HD21 LEU 14 HD21 LEU 14 -11.850 -2.898 -3.371 112 HD22 LEU 14 HD22 LEU 14 -10.675 -3.330 -4.614 113 HD23 LEU 14 HD23 LEU 14 -10.760 -1.672 -4.018 114 H GLU 15 HN GLU 15 -11.346 -5.353 0.490 115 HA GLU 15 HA GLU 15 -11.591 -2.860 1.869 116 HB2 GLU 15 HB2 GLU 15 -13.378 -4.082 3.166 117 HB3 GLU 15 HB1 GLU 15 -13.606 -4.040 1.425 118 HG2 GLU 15 HG2 GLU 15 -12.194 -6.380 2.572 119 HG3 GLU 15 HG1 GLU 15 -13.931 -6.253 2.846 120 H GLU 16 HN GLU 16 -9.488 -5.364 2.340 121 HA GLU 16 HA GLU 16 -9.467 -5.236 5.253 122 HB2 GLU 16 HB2 GLU 16 -8.816 -7.219 3.432 123 HB3 GLU 16 HB1 GLU 16 -7.250 -6.639 3.980 124 HG2 GLU 16 HG2 GLU 16 -7.810 -8.418 5.402 125 HG3 GLU 16 HG1 GLU 16 -8.098 -6.947 6.333 126 H ILE 17 HN ILE 17 -7.434 -4.404 2.491 127 HA ILE 17 HA ILE 17 -5.361 -3.303 4.138 128 HB ILE 17 HB ILE 17 -4.384 -2.515 1.955 129 HG12 ILE 17 HG12 ILE 17 -5.614 -4.060 0.071 130 HG13 ILE 17 HG11 ILE 17 -6.995 -3.508 1.013 131 HG21 ILE 17 HG21 ILE 17 -3.784 -4.790 1.225 132 HG22 ILE 17 HG22 ILE 17 -5.064 -5.433 2.253 133 HG23 ILE 17 HG23 ILE 17 -3.694 -4.590 2.975 134 HD11 ILE 17 HD11 ILE 17 -6.538 -2.062 -0.892 135 HD12 ILE 17 HD12 ILE 17 -4.927 -1.728 -0.254 136 HD13 ILE 17 HD13 ILE 17 -6.357 -1.204 0.638 137 H LYS 18 HN LYS 18 -8.097 -1.987 2.335 138 HA LYS 18 HA LYS 18 -7.190 0.726 2.644 139 HB2 LYS 18 HB2 LYS 18 -9.186 1.393 1.541 140 HB3 LYS 18 HB1 LYS 18 -8.613 -0.061 0.734 141 HG2 LYS 18 HG2 LYS 18 -10.380 -1.316 1.441 142 HG3 LYS 18 HG1 LYS 18 -10.605 -0.375 2.918 143 HD2 LYS 18 HD2 LYS 18 -12.453 0.010 1.395 144 HD3 LYS 18 HD1 LYS 18 -11.499 1.483 1.569 145 HE2 LYS 18 HE2 LYS 18 -10.287 0.794 -0.539 146 HE3 LYS 18 HE1 LYS 18 -11.518 -0.452 -0.737 147 HZ1 LYS 18 HZ1 LYS 18 -12.091 1.495 -1.999 148 HZ2 LYS 18 HZ2 LYS 18 -11.991 2.477 -0.626 149 HZ3 LYS 18 HZ3 LYS 18 -13.204 1.302 -0.742 150 H LYS 19 HN LYS 19 -8.390 -1.380 4.850 151 HA LYS 19 HA LYS 19 -9.861 0.712 6.292 152 HB2 LYS 19 HB2 LYS 19 -10.913 -1.598 5.835 153 HB3 LYS 19 HB1 LYS 19 -9.807 -2.200 7.062 154 HG2 LYS 19 HG2 LYS 19 -11.972 -1.769 8.036 155 HG3 LYS 19 HG1 LYS 19 -10.786 -0.639 8.688 156 HD2 LYS 19 HD2 LYS 19 -12.633 0.711 8.252 157 HD3 LYS 19 HD1 LYS 19 -11.616 0.957 6.836 158 HE2 LYS 19 HE2 LYS 19 -13.681 0.621 5.871 159 HE3 LYS 19 HE1 LYS 19 -12.998 -1.004 5.833 160 HZ1 LYS 19 HZ1 LYS 19 -14.280 -1.642 7.688 161 HZ2 LYS 19 HZ2 LYS 19 -15.344 -0.833 6.649 162 HZ3 LYS 19 HZ3 LYS 19 -14.748 -0.051 8.024 163 H HIS 20 HN HIS 20 -6.857 -0.195 5.983 164 HA HIS 20 HA HIS 20 -6.231 -0.152 8.858 165 HB2 HIS 20 HB2 HIS 20 -4.892 -1.380 6.499 166 HB3 HIS 20 HB1 HIS 20 -3.861 -0.779 7.794 167 HD1 HIS 20 HD1 HIS 20 -6.402 -3.430 7.025 168 HD2 HIS 20 HD2 HIS 20 -3.953 -2.233 10.170 169 HE1 HIS 20 HE1 HIS 20 -6.479 -5.303 8.696 170 HE2 HIS 20 HE2 HIS 20 -4.865 -4.625 10.508 171 H ASN 21 HN ASN 21 -6.691 1.942 6.541 172 HA ASN 21 HA ASN 21 -4.283 3.478 6.501 173 HB2 ASN 21 HB2 ASN 21 -5.690 5.177 5.350 174 HB3 ASN 21 HB1 ASN 21 -5.784 3.585 4.607 175 HD21 ASN 21 HD21 ASN 21 -7.634 5.746 4.356 176 HD22 ASN 21 HD22 ASN 21 -9.157 5.201 4.971 177 H HIS 22 HN HIS 22 -3.948 3.607 8.821 178 HA HIS 22 HA HIS 22 -5.522 5.799 9.993 179 HB2 HIS 22 HB2 HIS 22 -4.563 3.269 11.320 180 HB3 HIS 22 HB1 HIS 22 -5.012 4.699 12.244 181 HD1 HIS 22 HD1 HIS 22 -7.506 5.269 12.417 182 HD2 HIS 22 HD2 HIS 22 -6.719 1.934 10.070 183 HE1 HIS 22 HE1 HIS 22 -9.738 4.203 11.991 184 HE2 HIS 22 HE2 HIS 22 -9.200 2.061 10.788 185 H SER 23 HN SER 23 -2.668 4.172 11.355 186 HA SER 23 HA SER 23 -0.996 6.441 10.655 187 HB2 SER 23 HB2 SER 23 -0.373 6.745 13.113 188 HB3 SER 23 HB1 SER 23 -1.958 7.349 12.624 189 HG SER 23 HG SER 23 -2.796 6.044 14.031 190 H LYS 24 HN LYS 24 -1.208 3.469 12.608 191 HA LYS 24 HA LYS 24 1.628 2.974 12.015 192 HB2 LYS 24 HB2 LYS 24 1.462 1.317 13.910 193 HB3 LYS 24 HB1 LYS 24 1.282 3.008 14.355 194 HG2 LYS 24 HG2 LYS 24 -1.284 2.451 14.055 195 HG3 LYS 24 HG1 LYS 24 -0.719 0.811 14.380 196 HD2 LYS 24 HD2 LYS 24 -1.295 1.690 16.486 197 HD3 LYS 24 HD1 LYS 24 0.464 1.796 16.411 198 HE2 LYS 24 HE2 LYS 24 0.395 4.126 15.976 199 HE3 LYS 24 HE1 LYS 24 -1.340 4.089 15.670 200 HZ1 LYS 24 HZ1 LYS 24 -1.572 3.385 18.058 201 HZ2 LYS 24 HZ2 LYS 24 -1.064 4.974 17.810 202 HZ3 LYS 24 HZ3 LYS 24 0.057 3.792 18.263 203 H SER 25 HN SER 25 -0.675 2.432 10.239 204 HA SER 25 HA SER 25 0.101 -0.231 9.456 205 HB2 SER 25 HB2 SER 25 -2.806 0.345 10.103 206 HB3 SER 25 HB1 SER 25 -2.167 -1.153 9.424 207 HG SER 25 HG SER 25 -0.762 -0.729 11.580 208 H THR 26 HN THR 26 0.268 2.482 8.478 209 HA THR 26 HA THR 26 -1.650 2.924 6.415 210 HB THR 26 HB THR 26 1.103 4.143 6.559 211 HG1 THR 26 HG1 THR 26 0.475 4.810 8.480 212 HG21 THR 26 HG21 THR 26 -0.007 6.070 5.562 213 HG22 THR 26 HG22 THR 26 -1.550 5.221 5.608 214 HG23 THR 26 HG23 THR 26 -0.254 4.635 4.568 215 H TRP 27 HN TRP 27 -1.794 1.475 4.815 216 HA TRP 27 HA TRP 27 0.665 0.510 3.532 217 HB2 TRP 27 HB2 TRP 27 -2.149 -0.595 3.501 218 HB3 TRP 27 HB1 TRP 27 -0.820 -1.248 2.548 219 HD1 TRP 27 HD1 TRP 27 1.264 -0.794 5.131 220 HE1 TRP 27 HE1 TRP 27 1.234 -2.601 6.951 221 HE3 TRP 27 HE3 TRP 27 -3.291 -2.867 4.112 222 HZ2 TRP 27 HZ2 TRP 27 -0.505 -4.659 7.835 223 HZ3 TRP 27 HZ3 TRP 27 -4.065 -4.757 5.486 224 HH2 TRP 27 HH2 TRP 27 -2.698 -5.633 7.307 225 H LEU 28 HN LEU 28 0.834 0.517 1.273 226 HA LEU 28 HA LEU 28 -1.069 2.256 -0.155 227 HB2 LEU 28 HB2 LEU 28 1.587 2.882 0.501 228 HB3 LEU 28 HB1 LEU 28 1.620 2.449 -1.195 229 HG LEU 28 HG LEU 28 -0.337 4.472 -0.134 230 HD11 LEU 28 HD11 LEU 28 1.865 5.245 0.521 231 HD12 LEU 28 HD12 LEU 28 1.258 6.208 -0.825 232 HD13 LEU 28 HD13 LEU 28 2.475 4.964 -1.110 233 HD21 LEU 28 HD21 LEU 28 -0.024 5.287 -2.532 234 HD22 LEU 28 HD22 LEU 28 -0.917 3.782 -2.300 235 HD23 LEU 28 HD23 LEU 28 0.765 3.737 -2.830 236 H ILE 29 HN ILE 29 -1.549 1.624 -2.245 237 HA ILE 29 HA ILE 29 -0.570 -1.035 -2.978 238 HB ILE 29 HB ILE 29 -2.766 0.536 -4.327 239 HG12 ILE 29 HG12 ILE 29 -3.130 -1.658 -2.286 240 HG13 ILE 29 HG11 ILE 29 -3.183 0.054 -1.870 241 HG21 ILE 29 HG21 ILE 29 -3.446 -1.644 -5.190 242 HG22 ILE 29 HG22 ILE 29 -2.089 -2.400 -4.360 243 HG23 ILE 29 HG23 ILE 29 -1.796 -1.253 -5.666 244 HD11 ILE 29 HD11 ILE 29 -5.055 0.345 -3.436 245 HD12 ILE 29 HD12 ILE 29 -5.415 -0.800 -2.149 246 HD13 ILE 29 HD13 ILE 29 -5.022 -1.386 -3.763 247 H LEU 30 HN LEU 30 1.013 -1.231 -4.380 248 HA LEU 30 HA LEU 30 1.287 0.772 -6.515 249 HB2 LEU 30 HB2 LEU 30 3.514 -0.405 -4.851 250 HB3 LEU 30 HB1 LEU 30 3.762 0.546 -6.303 251 HG LEU 30 HG LEU 30 2.325 1.616 -3.879 252 HD11 LEU 30 HD11 LEU 30 4.413 2.749 -3.312 253 HD12 LEU 30 HD12 LEU 30 5.238 1.874 -4.600 254 HD13 LEU 30 HD13 LEU 30 4.578 0.997 -3.220 255 HD21 LEU 30 HD21 LEU 30 3.606 2.949 -6.259 256 HD22 LEU 30 HD22 LEU 30 2.868 3.779 -4.889 257 HD23 LEU 30 HD23 LEU 30 1.875 2.789 -5.957 258 H HIS 31 HN HIS 31 0.975 -0.226 -8.369 259 HA HIS 31 HA HIS 31 1.053 -1.743 -10.050 260 HB2 HIS 31 HB2 HIS 31 3.420 -2.710 -8.459 261 HB3 HIS 31 HB1 HIS 31 2.886 -3.549 -9.911 262 HD1 HIS 31 HD1 HIS 31 3.001 -2.134 -12.178 263 HD2 HIS 31 HD2 HIS 31 4.962 -0.484 -8.905 264 HE1 HIS 31 HE1 HIS 31 4.548 -0.395 -13.123 265 HE2 HIS 31 HE2 HIS 31 5.919 0.359 -11.153 266 H HIS 32 HN HIS 32 -0.704 -2.069 -7.880 267 HA HIS 32 HA HIS 32 -2.336 -3.477 -7.203 268 HB2 HIS 32 HB2 HIS 32 -1.075 -5.353 -9.208 269 HB3 HIS 32 HB1 HIS 32 -2.532 -5.741 -8.304 270 HD1 HIS 32 HD1 HIS 32 -2.127 -5.204 -11.513 271 HD2 HIS 32 HD2 HIS 32 -3.994 -2.769 -8.704 272 HE1 HIS 32 HE1 HIS 32 -3.709 -3.753 -12.817 273 HE2 HIS 32 HE2 HIS 32 -4.671 -2.159 -11.123 274 H LYS 33 HN LYS 33 0.471 -3.447 -6.054 275 HA LYS 33 HA LYS 33 0.218 -5.907 -4.450 276 HB2 LYS 33 HB2 LYS 33 2.730 -4.359 -5.124 277 HB3 LYS 33 HB1 LYS 33 2.658 -5.740 -4.041 278 HG2 LYS 33 HG2 LYS 33 2.116 -7.214 -5.819 279 HG3 LYS 33 HG1 LYS 33 1.846 -5.872 -6.934 280 HD2 LYS 33 HD2 LYS 33 4.231 -5.261 -6.709 281 HD3 LYS 33 HD1 LYS 33 4.472 -6.677 -5.686 282 HE2 LYS 33 HE2 LYS 33 3.291 -6.946 -8.422 283 HE3 LYS 33 HE1 LYS 33 5.038 -6.835 -8.205 284 HZ1 LYS 33 HZ1 LYS 33 4.192 -9.132 -8.294 285 HZ2 LYS 33 HZ2 LYS 33 3.303 -8.859 -6.877 286 HZ3 LYS 33 HZ3 LYS 33 4.995 -8.790 -6.847 287 H VAL 34 HN VAL 34 0.729 -5.697 -2.183 288 HA VAL 34 HA VAL 34 0.051 -3.027 -1.182 289 HB VAL 34 HB VAL 34 0.186 -5.556 0.458 290 HG11 VAL 34 HG11 VAL 34 0.131 -3.290 1.569 291 HG12 VAL 34 HG12 VAL 34 -1.166 -4.394 2.025 292 HG13 VAL 34 HG13 VAL 34 -1.483 -3.084 0.888 293 HG21 VAL 34 HG21 VAL 34 -1.356 -5.890 -1.444 294 HG22 VAL 34 HG22 VAL 34 -2.246 -4.451 -0.947 295 HG23 VAL 34 HG23 VAL 34 -2.190 -5.862 0.111 296 H TYR 35 HN TYR 35 1.551 -1.764 -0.317 297 HA TYR 35 HA TYR 35 4.008 -3.014 0.728 298 HB2 TYR 35 HB2 TYR 35 3.690 -0.413 -0.777 299 HB3 TYR 35 HB1 TYR 35 5.164 -0.879 0.066 300 HD1 TYR 35 HD2 TYR 35 6.515 -2.772 -0.757 301 HD2 TYR 35 HD1 TYR 35 3.104 -1.378 -2.889 302 HE1 TYR 35 HE2 TYR 35 7.286 -3.973 -2.762 303 HE2 TYR 35 HE1 TYR 35 3.866 -2.575 -4.895 304 HH TYR 35 HH TYR 35 6.096 -3.392 -5.812 305 H ASP 36 HN ASP 36 4.693 -2.394 2.709 306 HA ASP 36 HA ASP 36 2.966 -0.557 4.203 307 HB2 ASP 36 HB2 ASP 36 3.508 -2.865 5.103 308 HB3 ASP 36 HB1 ASP 36 5.163 -2.312 5.315 309 H LEU 37 HN LEU 37 3.574 1.441 4.520 310 HA LEU 37 HA LEU 37 6.426 2.069 4.761 311 HB2 LEU 37 HB2 LEU 37 6.304 3.941 3.317 312 HB3 LEU 37 HB1 LEU 37 5.583 2.606 2.438 313 HG LEU 37 HG LEU 37 3.860 4.544 3.949 314 HD11 LEU 37 HD11 LEU 37 4.892 4.891 1.138 315 HD12 LEU 37 HD12 LEU 37 5.293 5.899 2.529 316 HD13 LEU 37 HD13 LEU 37 3.643 5.870 1.908 317 HD21 LEU 37 HD21 LEU 37 2.206 3.885 2.291 318 HD22 LEU 37 HD22 LEU 37 2.851 2.473 3.126 319 HD23 LEU 37 HD23 LEU 37 3.396 2.856 1.493 320 H THR 38 HN THR 38 4.137 1.681 6.572 321 HA THR 38 HA THR 38 3.180 4.167 7.502 322 HB THR 38 HB THR 38 2.410 1.670 7.965 323 HG1 THR 38 HG1 THR 38 2.150 3.808 9.842 324 HG21 THR 38 HG21 THR 38 4.043 2.336 10.424 325 HG22 THR 38 HG22 THR 38 4.352 1.015 9.296 326 HG23 THR 38 HG23 THR 38 2.893 1.005 10.288 327 H LYS 39 HN LYS 39 6.203 2.628 7.868 328 HA LYS 39 HA LYS 39 6.907 4.420 10.092 329 HB2 LYS 39 HB2 LYS 39 8.178 1.853 9.130 330 HB3 LYS 39 HB1 LYS 39 8.928 2.915 10.316 331 HG2 LYS 39 HG2 LYS 39 6.221 1.637 10.653 332 HG3 LYS 39 HG1 LYS 39 7.727 0.978 11.295 333 HD2 LYS 39 HD2 LYS 39 8.054 3.013 12.617 334 HD3 LYS 39 HD1 LYS 39 6.555 3.679 11.969 335 HE2 LYS 39 HE2 LYS 39 5.289 1.879 12.997 336 HE3 LYS 39 HE1 LYS 39 6.781 1.157 13.598 337 HZ1 LYS 39 HZ1 LYS 39 7.161 3.152 14.919 338 HZ2 LYS 39 HZ2 LYS 39 5.687 2.430 15.318 339 HZ3 LYS 39 HZ3 LYS 39 5.712 3.821 14.358 340 H PHE 40 HN PHE 40 6.863 4.557 6.922 341 HA PHE 40 HA PHE 40 9.524 5.798 6.712 342 HB2 PHE 40 HB2 PHE 40 8.531 3.675 5.215 343 HB3 PHE 40 HB1 PHE 40 8.349 5.071 4.158 344 HD1 PHE 40 HD1 PHE 40 10.853 3.477 6.401 345 HD2 PHE 40 HD2 PHE 40 10.128 5.695 2.850 346 HE1 PHE 40 HE1 PHE 40 13.240 3.331 5.829 347 HE2 PHE 40 HE2 PHE 40 12.514 5.556 2.269 348 HZ PHE 40 HZ PHE 40 14.072 4.372 3.761 349 H LEU 41 HN LEU 41 6.448 6.607 7.093 350 HA LEU 41 HA LEU 41 5.784 8.337 5.010 351 HB2 LEU 41 HB2 LEU 41 5.130 8.636 7.941 352 HB3 LEU 41 HB1 LEU 41 4.318 9.465 6.627 353 HG LEU 41 HG LEU 41 4.348 6.462 6.896 354 HD11 LEU 41 HD11 LEU 41 3.274 7.413 8.861 355 HD12 LEU 41 HD12 LEU 41 2.083 6.662 7.802 356 HD13 LEU 41 HD13 LEU 41 2.253 8.416 7.836 357 HD21 LEU 41 HD21 LEU 41 2.592 8.340 5.315 358 HD22 LEU 41 HD22 LEU 41 2.449 6.582 5.369 359 HD23 LEU 41 HD23 LEU 41 3.878 7.329 4.656 360 H GLU 42 HN GLU 42 7.500 9.019 8.031 361 HA GLU 42 HA GLU 42 8.118 11.722 7.175 362 HB2 GLU 42 HB2 GLU 42 9.260 11.815 9.423 363 HB3 GLU 42 HB1 GLU 42 7.531 11.494 9.472 364 HG2 GLU 42 HG2 GLU 42 7.799 9.398 10.268 365 HG3 GLU 42 HG1 GLU 42 9.316 9.143 9.404 366 H GLU 43 HN GLU 43 9.352 8.850 6.383 367 HA GLU 43 HA GLU 43 12.155 9.755 6.410 368 HB2 GLU 43 HB2 GLU 43 11.037 6.959 6.158 369 HB3 GLU 43 HB1 GLU 43 12.743 7.372 6.115 370 HG2 GLU 43 HG2 GLU 43 11.549 8.458 8.473 371 HG3 GLU 43 HG1 GLU 43 11.175 6.739 8.345 372 H HIS 44 HN HIS 44 9.727 10.129 4.570 373 HA HIS 44 HA HIS 44 10.941 9.177 2.072 374 HB2 HIS 44 HB2 HIS 44 8.626 8.392 2.654 375 HB3 HIS 44 HB1 HIS 44 8.095 10.069 2.555 376 HD1 HIS 44 HD1 HIS 44 7.689 11.028 0.231 377 HD2 HIS 44 HD2 HIS 44 9.295 7.193 0.189 378 HE1 HIS 44 HE1 HIS 44 7.492 10.208 -2.144 379 HA PRO 45 HA PRO 45 11.983 13.491 1.436 380 HB2 PRO 45 HB2 PRO 45 12.841 13.212 -1.149 381 HB3 PRO 45 HB1 PRO 45 13.828 12.798 0.259 382 HG2 PRO 45 HG2 PRO 45 12.251 10.999 -1.518 383 HG3 PRO 45 HG1 PRO 45 13.856 10.753 -0.801 384 HD2 PRO 45 HD2 PRO 45 11.642 9.598 0.214 385 HD3 PRO 45 HD1 PRO 45 13.006 10.106 1.232 386 H GLY 46 HN GLY 46 10.373 14.885 1.194 387 HA2 GLY 46 HA2 GLY 46 9.253 16.098 -0.730 388 HA3 GLY 46 HA1 GLY 46 8.536 14.532 -1.088 389 H GLY 47 HN GLY 47 8.528 14.177 1.988 390 HA2 GLY 47 HA2 GLY 47 7.263 15.201 3.774 391 HA3 GLY 47 HA1 GLY 47 6.220 15.921 2.557 392 H GLU 48 HN GLU 48 5.349 14.438 4.788 393 HA GLU 48 HA GLU 48 4.553 11.829 3.780 394 HB2 GLU 48 HB2 GLU 48 3.441 11.646 6.047 395 HB3 GLU 48 HB1 GLU 48 5.191 11.818 6.073 396 HG2 GLU 48 HG2 GLU 48 4.957 14.186 6.595 397 HG3 GLU 48 HG1 GLU 48 3.205 14.031 6.537 398 H GLU 49 HN GLU 49 3.395 14.999 3.771 399 HA GLU 49 HA GLU 49 0.631 14.680 4.054 400 HB2 GLU 49 HB2 GLU 49 1.930 16.838 3.929 401 HB3 GLU 49 HB1 GLU 49 2.011 16.611 2.189 402 HG2 GLU 49 HG2 GLU 49 0.239 18.161 2.864 403 HG3 GLU 49 HG1 GLU 49 -0.388 16.746 2.018 404 H VAL 50 HN VAL 50 2.715 14.305 1.233 405 HA VAL 50 HA VAL 50 0.525 13.804 -0.560 406 HB VAL 50 HB VAL 50 2.272 13.209 -2.208 407 HG11 VAL 50 HG11 VAL 50 3.277 15.436 -2.362 408 HG12 VAL 50 HG12 VAL 50 2.757 15.778 -0.709 409 HG13 VAL 50 HG13 VAL 50 1.557 15.512 -1.975 410 HG21 VAL 50 HG21 VAL 50 4.629 13.483 -1.647 411 HG22 VAL 50 HG22 VAL 50 3.893 12.205 -0.679 412 HG23 VAL 50 HG23 VAL 50 4.203 13.787 0.037 413 H LEU 51 HN LEU 51 1.873 11.947 1.817 414 HA LEU 51 HA LEU 51 1.515 9.435 0.342 415 HB2 LEU 51 HB2 LEU 51 2.753 9.923 3.052 416 HB3 LEU 51 HB1 LEU 51 2.645 8.370 2.247 417 HG LEU 51 HG LEU 51 4.203 10.739 1.210 418 HD11 LEU 51 HD11 LEU 51 5.141 8.225 2.586 419 HD12 LEU 51 HD12 LEU 51 5.194 9.860 3.248 420 HD13 LEU 51 HD13 LEU 51 6.183 9.443 1.847 421 HD21 LEU 51 HD21 LEU 51 3.953 7.892 0.254 422 HD22 LEU 51 HD22 LEU 51 5.193 9.014 -0.298 423 HD23 LEU 51 HD23 LEU 51 3.493 9.355 -0.611 424 H ARG 52 HN ARG 52 0.400 11.219 3.164 425 HA ARG 52 HA ARG 52 -1.241 9.170 4.204 426 HB2 ARG 52 HB2 ARG 52 -2.343 11.001 5.493 427 HB3 ARG 52 HB1 ARG 52 -0.595 10.972 5.645 428 HG2 ARG 52 HG2 ARG 52 -0.849 13.185 5.327 429 HG3 ARG 52 HG1 ARG 52 -0.799 12.706 3.633 430 HD2 ARG 52 HD2 ARG 52 -2.636 14.239 4.012 431 HD3 ARG 52 HD1 ARG 52 -3.251 12.642 3.589 432 HE ARG 52 HE ARG 52 -3.834 12.321 5.900 433 HH11 ARG 52 HH11 ARG 52 -2.895 15.601 4.995 434 HH12 ARG 52 HH12 ARG 52 -3.747 16.335 6.410 435 HH21 ARG 52 HH21 ARG 52 -4.907 13.216 7.684 436 HH22 ARG 52 HH22 ARG 52 -4.861 15.004 7.920 437 H GLU 53 HN GLU 53 -1.695 11.336 1.555 438 HA GLU 53 HA GLU 53 -4.581 11.028 1.564 439 HB2 GLU 53 HB2 GLU 53 -4.396 12.290 -0.638 440 HB3 GLU 53 HB1 GLU 53 -3.903 13.145 0.814 441 HG2 GLU 53 HG2 GLU 53 -1.564 12.694 0.286 442 HG3 GLU 53 HG1 GLU 53 -2.057 11.835 -1.172 443 H GLN 54 HN GLN 54 -2.200 8.984 0.819 444 HA GLN 54 HA GLN 54 -3.763 7.718 -1.338 445 HB2 GLN 54 HB2 GLN 54 -0.782 7.930 -0.981 446 HB3 GLN 54 HB1 GLN 54 -1.497 6.658 -1.960 447 HG2 GLN 54 HG2 GLN 54 -1.805 9.620 -2.405 448 HG3 GLN 54 HG1 GLN 54 -0.775 8.528 -3.331 449 HE21 GLN 54 HE21 GLN 54 -2.908 10.206 -4.299 450 HE22 GLN 54 HE22 GLN 54 -4.066 9.152 -5.029 451 H ALA 55 HN ALA 55 -3.461 7.506 1.743 452 HA ALA 55 HA ALA 55 -2.425 4.934 2.297 453 HB1 ALA 55 HB1 ALA 55 -4.422 6.555 3.871 454 HB2 ALA 55 HB2 ALA 55 -2.667 6.667 4.008 455 HB3 ALA 55 HB3 ALA 55 -3.495 5.181 4.470 456 H GLY 56 HN GLY 56 -3.232 3.062 1.671 457 HA2 GLY 56 HA2 GLY 56 -4.812 1.361 1.503 458 HA3 GLY 56 HA1 GLY 56 -6.065 2.509 1.947 459 H GLY 57 HN GLY 57 -4.260 3.903 -0.429 460 HA2 GLY 57 HA2 GLY 57 -6.171 2.997 -2.486 461 HA3 GLY 57 HA1 GLY 57 -5.495 4.618 -2.404 462 H ASP 58 HN ASP 58 -5.240 3.614 -4.755 463 HA ASP 58 HA ASP 58 -2.630 2.287 -4.950 464 HB2 ASP 58 HB2 ASP 58 -4.560 1.242 -6.150 465 HB3 ASP 58 HB1 ASP 58 -4.699 2.704 -7.121 466 H ALA 59 HN ALA 59 -0.942 3.490 -5.365 467 HA ALA 59 HA ALA 59 -1.349 6.039 -6.789 468 HB1 ALA 59 HB1 ALA 59 0.525 6.963 -5.532 469 HB2 ALA 59 HB2 ALA 59 0.704 5.438 -4.664 470 HB3 ALA 59 HB3 ALA 59 -0.752 6.408 -4.449 471 H THR 60 HN THR 60 -0.762 3.355 -7.839 472 HA THR 60 HA THR 60 1.921 3.009 -8.535 473 HB THR 60 HB THR 60 -0.462 2.315 -10.264 474 HG1 THR 60 HG1 THR 60 -0.907 1.318 -8.387 475 HG21 THR 60 HG21 THR 60 2.273 1.052 -10.041 476 HG22 THR 60 HG22 THR 60 1.726 2.080 -11.364 477 HG23 THR 60 HG23 THR 60 0.963 0.515 -11.090 478 H GLU 61 HN GLU 61 -0.627 4.887 -10.059 479 HA GLU 61 HA GLU 61 0.730 5.626 -12.390 480 HB2 GLU 61 HB2 GLU 61 -0.850 7.679 -12.246 481 HB3 GLU 61 HB1 GLU 61 -1.542 6.079 -12.461 482 HG2 GLU 61 HG2 GLU 61 -2.132 5.960 -10.139 483 HG3 GLU 61 HG1 GLU 61 -1.301 7.482 -9.814 484 H ASN 62 HN ASN 62 0.614 7.176 -9.200 485 HA ASN 62 HA ASN 62 2.158 9.431 -9.988 486 HB2 ASN 62 HB2 ASN 62 0.633 9.040 -7.866 487 HB3 ASN 62 HB1 ASN 62 2.139 8.475 -7.150 488 HD21 ASN 62 HD21 ASN 62 0.357 11.184 -8.308 489 HD22 ASN 62 HD22 ASN 62 1.457 12.410 -7.777 490 H PHE 63 HN PHE 63 2.893 6.288 -8.625 491 HA PHE 63 HA PHE 63 5.567 6.632 -7.928 492 HB2 PHE 63 HB2 PHE 63 4.260 4.657 -7.323 493 HB3 PHE 63 HB1 PHE 63 4.159 4.180 -9.012 494 HD1 PHE 63 HD2 PHE 63 6.350 4.436 -6.082 495 HD2 PHE 63 HD1 PHE 63 5.997 3.087 -10.102 496 HE1 PHE 63 HE2 PHE 63 8.398 3.097 -5.811 497 HE2 PHE 63 HE1 PHE 63 8.038 1.742 -9.837 498 HZ PHE 63 HZ PHE 63 9.243 1.746 -7.691 499 H GLU 64 HN GLU 64 4.156 5.648 -11.042 500 HA GLU 64 HA GLU 64 6.771 5.564 -12.287 501 HB2 GLU 64 HB2 GLU 64 5.418 5.032 -14.369 502 HB3 GLU 64 HB1 GLU 64 5.338 3.867 -13.057 503 HG2 GLU 64 HG2 GLU 64 3.189 4.957 -12.355 504 HG3 GLU 64 HG1 GLU 64 3.259 5.890 -13.849 505 H ASP 65 HN ASP 65 4.166 7.825 -11.977 506 HA ASP 65 HA ASP 65 4.777 9.419 -14.251 507 HB2 ASP 65 HB2 ASP 65 2.604 9.617 -13.202 508 HB3 ASP 65 HB1 ASP 65 3.339 10.092 -11.677 509 H VAL 66 HN VAL 66 5.885 9.385 -10.915 510 HA VAL 66 HA VAL 66 7.423 11.801 -11.203 511 HB VAL 66 HB VAL 66 7.388 9.701 -9.029 512 HG11 VAL 66 HG11 VAL 66 9.597 10.853 -9.247 513 HG12 VAL 66 HG12 VAL 66 8.783 11.116 -7.706 514 HG13 VAL 66 HG13 VAL 66 8.769 12.379 -8.937 515 HG21 VAL 66 HG21 VAL 66 5.341 11.034 -9.206 516 HG22 VAL 66 HG22 VAL 66 6.295 12.515 -9.104 517 HG23 VAL 66 HG23 VAL 66 6.227 11.414 -7.730 518 H GLY 67 HN GLY 67 8.255 8.360 -10.766 519 HA2 GLY 67 HA2 GLY 67 9.909 7.279 -12.124 520 HA3 GLY 67 HA1 GLY 67 10.692 8.838 -12.346 521 H HIS 68 HN HIS 68 10.630 5.972 -10.567 522 HA HIS 68 HA HIS 68 12.240 7.104 -8.390 523 HB2 HIS 68 HB2 HIS 68 10.731 4.523 -8.715 524 HB3 HIS 68 HB1 HIS 68 11.970 4.697 -7.479 525 HD1 HIS 68 HD1 HIS 68 8.731 6.475 -8.509 526 HD2 HIS 68 HD2 HIS 68 11.057 5.653 -5.152 527 HE1 HIS 68 HE1 HIS 68 7.444 7.355 -6.518 528 H SER 69 HN SER 69 14.339 6.465 -8.009 529 HA SER 69 HA SER 69 15.834 5.524 -10.233 530 HB2 SER 69 HB2 SER 69 16.782 5.673 -7.367 531 HB3 SER 69 HB1 SER 69 17.753 5.788 -8.834 532 HG SER 69 HG SER 69 16.006 7.679 -7.679 533 H THR 70 HN THR 70 17.439 3.673 -9.977 534 HA THR 70 HA THR 70 16.038 1.253 -9.722 535 HB THR 70 HB THR 70 19.026 1.358 -9.557 536 HG1 THR 70 HG1 THR 70 17.985 1.535 -12.105 537 HG21 THR 70 HG21 THR 70 17.127 -0.331 -11.198 538 HG22 THR 70 HG22 THR 70 17.821 -0.811 -9.650 539 HG23 THR 70 HG23 THR 70 18.869 -0.555 -11.043 540 H ASP 71 HN ASP 71 18.358 2.867 -7.578 541 HA ASP 71 HA ASP 71 18.461 0.800 -5.642 542 HB2 ASP 71 HB2 ASP 71 20.101 2.737 -5.933 543 HB3 ASP 71 HB1 ASP 71 18.921 3.733 -5.088 544 H ALA 72 HN ALA 72 16.246 3.370 -6.268 545 HA ALA 72 HA ALA 72 15.013 3.438 -3.698 546 HB1 ALA 72 HB1 ALA 72 13.829 4.350 -6.309 547 HB2 ALA 72 HB2 ALA 72 14.965 5.302 -5.360 548 HB3 ALA 72 HB3 ALA 72 13.392 4.880 -4.684 549 H ARG 73 HN ARG 73 14.063 2.006 -6.827 550 HA ARG 73 HA ARG 73 11.678 0.846 -5.852 551 HB2 ARG 73 HB2 ARG 73 11.733 -0.534 -7.920 552 HB3 ARG 73 HB1 ARG 73 11.939 1.185 -8.218 553 HG2 ARG 73 HG2 ARG 73 13.630 0.531 -9.522 554 HG3 ARG 73 HG1 ARG 73 14.520 0.376 -8.007 555 HD2 ARG 73 HD2 ARG 73 14.862 -1.647 -9.180 556 HD3 ARG 73 HD1 ARG 73 13.696 -2.011 -7.908 557 HE ARG 73 HE ARG 73 12.463 -1.309 -10.402 558 HH11 ARG 73 HH11 ARG 73 13.928 -3.925 -8.541 559 HH12 ARG 73 HH12 ARG 73 13.052 -5.205 -9.474 560 HH21 ARG 73 HH21 ARG 73 11.350 -2.903 -11.587 561 HH22 ARG 73 HH22 ARG 73 11.613 -4.636 -11.163 562 H GLU 74 HN GLU 74 14.983 -0.183 -5.709 563 HA GLU 74 HA GLU 74 14.405 -2.929 -5.138 564 HB2 GLU 74 HB2 GLU 74 16.888 -1.241 -4.893 565 HB3 GLU 74 HB1 GLU 74 16.844 -2.912 -4.351 566 HG2 GLU 74 HG2 GLU 74 16.342 -1.929 -7.151 567 HG3 GLU 74 HG1 GLU 74 17.783 -2.766 -6.573 568 H LEU 75 HN LEU 75 14.576 -0.005 -3.328 569 HA LEU 75 HA LEU 75 14.967 -1.204 -0.769 570 HB2 LEU 75 HB2 LEU 75 15.505 1.165 -1.298 571 HB3 LEU 75 HB1 LEU 75 13.791 1.487 -1.468 572 HG LEU 75 HG LEU 75 13.531 0.783 0.947 573 HD11 LEU 75 HD11 LEU 75 15.542 0.859 2.342 574 HD12 LEU 75 HD12 LEU 75 16.538 1.002 0.893 575 HD13 LEU 75 HD13 LEU 75 15.604 -0.468 1.181 576 HD21 LEU 75 HD21 LEU 75 14.319 2.934 1.817 577 HD22 LEU 75 HD22 LEU 75 13.510 3.124 0.264 578 HD23 LEU 75 HD23 LEU 75 15.269 3.180 0.352 579 H SER 76 HN SER 76 12.221 -0.421 -2.786 580 HA SER 76 HA SER 76 10.208 -0.678 -0.818 581 HB2 SER 76 HB2 SER 76 9.649 -1.378 -3.667 582 HB3 SER 76 HB1 SER 76 8.718 -0.370 -2.555 583 HG SER 76 HG SER 76 9.725 1.294 -3.333 584 H LYS 77 HN LYS 77 12.215 -2.997 -2.254 585 HA LYS 77 HA LYS 77 10.481 -5.212 -2.438 586 HB2 LYS 77 HB2 LYS 77 13.437 -4.851 -2.261 587 HB3 LYS 77 HB1 LYS 77 12.772 -6.463 -2.025 588 HG2 LYS 77 HG2 LYS 77 11.719 -6.375 -4.210 589 HG3 LYS 77 HG1 LYS 77 12.308 -4.728 -4.445 590 HD2 LYS 77 HD2 LYS 77 14.561 -5.448 -4.535 591 HD3 LYS 77 HD1 LYS 77 14.146 -7.053 -3.933 592 HE2 LYS 77 HE2 LYS 77 13.016 -7.601 -5.970 593 HE3 LYS 77 HE1 LYS 77 13.165 -5.947 -6.561 594 HZ1 LYS 77 HZ1 LYS 77 14.804 -7.347 -7.602 595 HZ2 LYS 77 HZ2 LYS 77 15.393 -7.857 -6.106 596 HZ3 LYS 77 HZ3 LYS 77 15.587 -6.244 -6.585 597 H THR 78 HN THR 78 11.820 -3.623 0.305 598 HA THR 78 HA THR 78 11.332 -5.977 1.981 599 HB THR 78 HB THR 78 13.482 -4.662 2.228 600 HG1 THR 78 HG1 THR 78 11.926 -4.745 4.617 601 HG21 THR 78 HG21 THR 78 12.710 -2.401 2.065 602 HG22 THR 78 HG22 THR 78 13.327 -2.638 3.698 603 HG23 THR 78 HG23 THR 78 11.589 -2.626 3.408 604 H PHE 79 HN PHE 79 9.461 -3.742 0.716 605 HA PHE 79 HA PHE 79 7.962 -3.158 3.182 606 HB2 PHE 79 HB2 PHE 79 8.061 -1.782 0.504 607 HB3 PHE 79 HB1 PHE 79 6.768 -1.472 1.652 608 HD1 PHE 79 HD2 PHE 79 9.411 -2.059 3.734 609 HD2 PHE 79 HD1 PHE 79 8.096 0.818 0.884 610 HE1 PHE 79 HE2 PHE 79 10.791 -0.350 4.831 611 HE2 PHE 79 HE1 PHE 79 9.477 2.533 1.984 612 HZ PHE 79 HZ PHE 79 10.825 1.949 3.961 613 H ILE 80 HN ILE 80 7.977 -5.232 0.575 614 HA ILE 80 HA ILE 80 5.149 -5.329 0.100 615 HB ILE 80 HB ILE 80 6.620 -5.952 -1.711 616 HG12 ILE 80 HG12 ILE 80 5.747 -8.343 -2.134 617 HG13 ILE 80 HG11 ILE 80 4.933 -8.177 -0.582 618 HG21 ILE 80 HG21 ILE 80 8.538 -6.762 -0.538 619 HG22 ILE 80 HG22 ILE 80 7.965 -8.037 -1.610 620 HG23 ILE 80 HG23 ILE 80 7.626 -8.120 0.117 621 HD11 ILE 80 HD11 ILE 80 3.460 -7.662 -2.458 622 HD12 ILE 80 HD12 ILE 80 4.544 -6.360 -2.950 623 HD13 ILE 80 HD13 ILE 80 3.697 -6.269 -1.406 624 H ILE 81 HN ILE 81 3.676 -6.322 1.284 625 HA ILE 81 HA ILE 81 4.565 -8.501 3.058 626 HB ILE 81 HB ILE 81 2.814 -7.914 4.645 627 HG12 ILE 81 HG12 ILE 81 1.461 -6.705 2.721 628 HG13 ILE 81 HG11 ILE 81 1.279 -6.218 4.400 629 HG21 ILE 81 HG21 ILE 81 4.690 -5.654 3.975 630 HG22 ILE 81 HG22 ILE 81 4.999 -7.025 5.043 631 HG23 ILE 81 HG23 ILE 81 3.803 -5.809 5.494 632 HD11 ILE 81 HD11 ILE 81 2.717 -4.331 4.060 633 HD12 ILE 81 HD12 ILE 81 1.457 -4.331 2.827 634 HD13 ILE 81 HD13 ILE 81 3.090 -4.860 2.420 635 H GLY 82 HN GLY 82 2.390 -7.519 0.589 636 HA2 GLY 82 HA2 GLY 82 1.493 -10.130 0.115 637 HA3 GLY 82 HA1 GLY 82 0.267 -9.289 1.048 638 H GLU 83 HN GLU 83 -0.727 -10.039 -1.144 639 HA GLU 83 HA GLU 83 -0.655 -7.711 -2.947 640 HB2 GLU 83 HB2 GLU 83 -0.802 -10.639 -3.676 641 HB3 GLU 83 HB1 GLU 83 -1.252 -9.355 -4.788 642 HG2 GLU 83 HG2 GLU 83 1.090 -8.425 -4.380 643 HG3 GLU 83 HG1 GLU 83 1.449 -9.998 -3.668 644 H LEU 84 HN LEU 84 -2.699 -7.758 -4.386 645 HA LEU 84 HA LEU 84 -4.972 -7.940 -2.599 646 HB2 LEU 84 HB2 LEU 84 -4.493 -6.754 -5.307 647 HB3 LEU 84 HB1 LEU 84 -6.133 -7.029 -4.761 648 HG LEU 84 HG LEU 84 -5.695 -4.785 -4.261 649 HD11 LEU 84 HD11 LEU 84 -5.978 -4.641 -1.947 650 HD12 LEU 84 HD12 LEU 84 -5.032 -6.098 -1.647 651 HD13 LEU 84 HD13 LEU 84 -6.629 -6.219 -2.388 652 HD21 LEU 84 HD21 LEU 84 -3.327 -4.711 -4.594 653 HD22 LEU 84 HD22 LEU 84 -3.044 -5.694 -3.155 654 HD23 LEU 84 HD23 LEU 84 -3.686 -4.056 -2.993 655 H HIS 85 HN HIS 85 -6.810 -9.153 -2.965 656 HA HIS 85 HA HIS 85 -6.468 -11.751 -3.958 657 HB2 HIS 85 HB2 HIS 85 -8.838 -10.122 -3.110 658 HB3 HIS 85 HB1 HIS 85 -9.102 -11.676 -3.891 659 HD1 HIS 85 HD1 HIS 85 -10.136 -12.535 -1.632 660 HD2 HIS 85 HD2 HIS 85 -6.119 -11.503 -1.444 661 HE1 HIS 85 HE1 HIS 85 -9.282 -13.528 0.514 662 HE2 HIS 85 HE2 HIS 85 -6.813 -13.035 0.519 663 HA PRO 86 HA PRO 86 -7.062 -11.476 -8.328 664 HB2 PRO 86 HB2 PRO 86 -8.606 -13.748 -8.711 665 HB3 PRO 86 HB1 PRO 86 -6.842 -13.727 -8.609 666 HG2 PRO 86 HG2 PRO 86 -8.836 -14.420 -6.509 667 HG3 PRO 86 HG1 PRO 86 -7.245 -15.135 -6.840 668 HD2 PRO 86 HD2 PRO 86 -7.621 -13.433 -4.801 669 HD3 PRO 86 HD1 PRO 86 -6.108 -13.462 -5.728 670 H ASP 87 HN ASP 87 -9.832 -12.016 -6.233 671 HA ASP 87 HA ASP 87 -11.848 -11.407 -8.143 672 HB2 ASP 87 HB2 ASP 87 -12.141 -10.982 -5.173 673 HB3 ASP 87 HB1 ASP 87 -13.378 -11.444 -6.337 674 H ASP 88 HN ASP 88 -9.971 -9.514 -5.874 675 HA ASP 88 HA ASP 88 -11.438 -7.074 -6.429 676 HB2 ASP 88 HB2 ASP 88 -8.946 -7.600 -4.786 677 HB3 ASP 88 HB1 ASP 88 -9.739 -6.034 -4.917 678 H ARG 89 HN ARG 89 -8.869 -8.808 -7.749 679 HA ARG 89 HA ARG 89 -7.415 -6.558 -8.808 680 HB2 ARG 89 HB2 ARG 89 -6.419 -8.792 -8.109 681 HB3 ARG 89 HB1 ARG 89 -7.102 -9.452 -9.589 682 HG2 ARG 89 HG2 ARG 89 -5.783 -7.927 -10.917 683 HG3 ARG 89 HG1 ARG 89 -5.144 -7.170 -9.456 684 HD2 ARG 89 HD2 ARG 89 -4.737 -10.033 -10.322 685 HD3 ARG 89 HD1 ARG 89 -3.536 -8.743 -10.374 686 HE ARG 89 HE ARG 89 -4.686 -9.417 -7.777 687 HH11 ARG 89 HH11 ARG 89 -1.982 -9.630 -10.034 688 HH12 ARG 89 HH12 ARG 89 -0.806 -10.097 -8.747 689 HH21 ARG 89 HH21 ARG 89 -3.223 -10.001 -6.124 690 HH22 ARG 89 HH22 ARG 89 -1.485 -10.299 -6.566 691 H SER 90 HN SER 90 -9.127 -9.315 -10.339 692 HA SER 90 HA SER 90 -9.958 -7.465 -12.455 693 HB2 SER 90 HB2 SER 90 -8.705 -10.175 -12.962 694 HB3 SER 90 HB1 SER 90 -9.382 -9.111 -14.195 695 HG SER 90 HG SER 90 -7.385 -8.409 -14.261 696 H LYS 91 HN LYS 91 -11.896 -7.696 -11.061 697 HA LYS 91 HA LYS 91 -13.797 -9.394 -12.303 698 HB2 LYS 91 HB2 LYS 91 -12.465 -10.452 -9.968 699 HB3 LYS 91 HB1 LYS 91 -14.174 -10.210 -9.635 700 HG2 LYS 91 HG2 LYS 91 -14.830 -11.689 -11.331 701 HG3 LYS 91 HG1 LYS 91 -13.237 -11.662 -12.088 702 HD2 LYS 91 HD2 LYS 91 -13.664 -12.719 -9.308 703 HD3 LYS 91 HD1 LYS 91 -13.852 -13.738 -10.736 704 HE2 LYS 91 HE2 LYS 91 -11.358 -12.129 -10.418 705 HE3 LYS 91 HE1 LYS 91 -11.555 -13.605 -9.474 706 HZ1 LYS 91 HZ1 LYS 91 -10.418 -13.796 -11.716 707 HZ2 LYS 91 HZ2 LYS 91 -11.949 -13.582 -12.404 708 HZ3 LYS 91 HZ3 LYS 91 -11.656 -14.903 -11.396 709 H LEU 92 HN LEU 92 -13.322 -8.035 -9.041 710 HA LEU 92 HA LEU 92 -14.428 -6.464 -7.851 711 HB2 LEU 92 HB2 LEU 92 -14.848 -5.469 -10.642 712 HB3 LEU 92 HB1 LEU 92 -15.691 -4.689 -9.319 713 HG LEU 92 HG LEU 92 -13.733 -3.417 -9.757 714 HD11 LEU 92 HD11 LEU 92 -12.641 -3.410 -7.657 715 HD12 LEU 92 HD12 LEU 92 -13.026 -5.107 -7.372 716 HD13 LEU 92 HD13 LEU 92 -14.310 -3.897 -7.364 717 HD21 LEU 92 HD21 LEU 92 -12.161 -5.981 -9.532 718 HD22 LEU 92 HD22 LEU 92 -11.480 -4.366 -9.739 719 HD23 LEU 92 HD23 LEU 92 -12.474 -5.074 -11.012 720 H SER 93 HN SER 93 -15.815 -8.952 -8.800 721 HA SER 93 HA SER 93 -18.604 -8.190 -8.922 722 HB2 SER 93 HB2 SER 93 -17.708 -11.021 -8.536 723 HB3 SER 93 HB1 SER 93 -19.003 -10.387 -9.555 724 HG SER 93 HG SER 93 -17.201 -9.416 -10.816 725 H LYS 94 HN LYS 94 -17.899 -7.084 -6.707 726 HA LYS 94 HA LYS 94 -18.877 -8.863 -4.585 727 HB2 LYS 94 HB2 LYS 94 -16.515 -6.983 -4.408 728 HB3 LYS 94 HB1 LYS 94 -17.257 -7.767 -3.019 729 HG2 LYS 94 HG2 LYS 94 -16.556 -9.902 -3.723 730 HG3 LYS 94 HG1 LYS 94 -16.151 -9.320 -5.338 731 HD2 LYS 94 HD2 LYS 94 -14.137 -9.684 -4.019 732 HD3 LYS 94 HD1 LYS 94 -14.340 -7.974 -4.399 733 HE2 LYS 94 HE2 LYS 94 -15.211 -7.551 -2.174 734 HE3 LYS 94 HE1 LYS 94 -15.121 -9.268 -1.787 735 HZ1 LYS 94 HZ1 LYS 94 -13.245 -7.750 -0.991 736 HZ2 LYS 94 HZ2 LYS 94 -12.715 -7.756 -2.604 737 HZ3 LYS 94 HZ3 LYS 94 -12.814 -9.206 -1.739 738 HA PRO 95 HA PRO 95 -21.558 -5.448 -3.714 739 HB2 PRO 95 HB2 PRO 95 -22.340 -6.080 -1.211 740 HB3 PRO 95 HB1 PRO 95 -22.842 -7.033 -2.614 741 HG2 PRO 95 HG2 PRO 95 -20.709 -7.614 -0.614 742 HG3 PRO 95 HG1 PRO 95 -21.881 -8.714 -1.368 743 HD2 PRO 95 HD2 PRO 95 -19.274 -8.475 -2.169 744 HD3 PRO 95 HD1 PRO 95 -20.594 -9.018 -3.220 745 H MET 96 HN MET 96 -21.555 -3.445 -2.696 746 HA MET 96 HA MET 96 -19.197 -2.918 -1.016 747 HB2 MET 96 HB2 MET 96 -19.255 -1.685 -3.159 748 HB3 MET 96 HB1 MET 96 -20.781 -0.956 -2.686 749 HG2 MET 96 HG2 MET 96 -19.781 0.306 -0.982 750 HG3 MET 96 HG1 MET 96 -18.301 -0.649 -1.034 751 HE1 MET 96 HE1 MET 96 -19.539 2.179 -4.466 752 HE2 MET 96 HE2 MET 96 -20.558 1.866 -3.061 753 HE3 MET 96 HE3 MET 96 -20.233 0.577 -4.219 754 H GLU 97 HN GLU 97 -22.445 -1.493 -1.466 755 HA GLU 97 HA GLU 97 -24.013 -0.744 -0.011 756 HB2 GLU 97 HB2 GLU 97 -23.874 -3.123 0.762 757 HB3 GLU 97 HB1 GLU 97 -22.747 -2.598 2.003 758 HG2 GLU 97 HG2 GLU 97 -24.382 -1.393 3.151 759 HG3 GLU 97 HG1 GLU 97 -25.470 -1.378 1.761 760 H THR 98 HN THR 98 -23.648 1.358 0.372 761 HA THR 98 HA THR 98 -22.419 2.099 2.860 762 HB THR 98 HB THR 98 -20.445 1.940 1.361 763 HG1 THR 98 HG1 THR 98 -19.613 3.660 2.323 764 HG21 THR 98 HG21 THR 98 -21.801 4.166 -0.165 765 HG22 THR 98 HG22 THR 98 -21.523 2.526 -0.752 766 HG23 THR 98 HG23 THR 98 -20.155 3.593 -0.433 767 H LEU 99 HN LEU 99 -22.404 4.592 3.032 768 HA LEU 99 HA LEU 99 -23.621 6.494 3.216 769 HB2 LEU 99 HB2 LEU 99 -24.322 5.845 0.347 770 HB3 LEU 99 HB1 LEU 99 -24.598 7.393 1.124 771 HG LEU 99 HG LEU 99 -21.876 6.147 0.739 772 HD11 LEU 99 HD11 LEU 99 -22.866 6.674 -1.410 773 HD12 LEU 99 HD12 LEU 99 -21.570 7.810 -1.030 774 HD13 LEU 99 HD13 LEU 99 -23.255 8.300 -0.852 775 HD21 LEU 99 HD21 LEU 99 -21.927 7.663 2.614 776 HD22 LEU 99 HD22 LEU 99 -22.746 8.889 1.645 777 HD23 LEU 99 HD23 LEU 99 -21.085 8.431 1.267 778 H ILE 100 HN ILE 100 -24.890 4.197 4.204 779 HA ILE 100 HA ILE 100 -27.712 4.585 3.472 780 HB ILE 100 HB ILE 100 -28.102 2.463 4.738 781 HG12 ILE 100 HG12 ILE 100 -25.079 2.257 4.684 782 HG13 ILE 100 HG11 ILE 100 -26.033 2.595 6.124 783 HG21 ILE 100 HG21 ILE 100 -26.210 2.350 2.393 784 HG22 ILE 100 HG22 ILE 100 -27.972 2.438 2.328 785 HG23 ILE 100 HG23 ILE 100 -27.182 0.998 2.975 786 HD11 ILE 100 HD11 ILE 100 -25.378 0.271 6.059 787 HD12 ILE 100 HD12 ILE 100 -26.130 0.080 4.475 788 HD13 ILE 100 HD13 ILE 100 -27.127 0.415 5.889 789 H THR 101 HN THR 101 -25.837 6.105 5.438 790 HA THR 101 HA THR 101 -27.835 6.246 7.576 791 HB THR 101 HB THR 101 -24.907 6.336 8.256 792 HG1 THR 101 HG1 THR 101 -26.594 4.030 8.345 793 HG21 THR 101 HG21 THR 101 -25.713 5.789 10.493 794 HG22 THR 101 HG22 THR 101 -27.368 5.686 9.890 795 HG23 THR 101 HG23 THR 101 -26.520 7.234 9.884 796 H THR 102 HN THR 102 -28.271 8.286 8.243 797 HA THR 102 HA THR 102 -26.987 10.455 6.822 798 HB THR 102 HB THR 102 -28.716 11.695 8.489 799 HG1 THR 102 HG1 THR 102 -29.660 10.044 9.515 800 HG21 THR 102 HG21 THR 102 -28.700 11.858 6.047 801 HG22 THR 102 HG22 THR 102 -30.337 11.614 6.655 802 HG23 THR 102 HG23 THR 102 -29.456 10.268 5.932 803 H VAL 103 HN VAL 103 -24.914 10.574 7.711 804 HA VAL 103 HA VAL 103 -24.684 11.014 10.590 805 HB VAL 103 HB VAL 103 -22.216 11.008 10.152 806 HG11 VAL 103 HG11 VAL 103 -23.782 8.583 9.288 807 HG12 VAL 103 HG12 VAL 103 -23.324 9.015 10.935 808 HG13 VAL 103 HG13 VAL 103 -22.082 8.579 9.761 809 HG21 VAL 103 HG21 VAL 103 -21.419 10.135 8.007 810 HG22 VAL 103 HG22 VAL 103 -22.240 11.683 7.813 811 HG23 VAL 103 HG23 VAL 103 -23.064 10.186 7.375 812 H ASP 104 HN ASP 104 -25.490 12.905 8.144 813 HA ASP 104 HA ASP 104 -23.766 15.160 8.857 814 HB2 ASP 104 HB2 ASP 104 -24.642 16.264 6.876 815 HB3 ASP 104 HB1 ASP 104 -24.108 14.642 6.444 816 HHB HEM 400 HB HEM 400 11.687 4.558 -1.675 817 HHC HEM 400 HC HEM 400 5.464 4.805 -2.695 818 HHD HEM 400 HD HEM 400 6.081 10.679 -5.012 819 HMA HEM 400 HMA1 HEM 400 14.071 4.965 -2.505 820 HMAA HEM 400 HMA2 HEM 400 13.807 5.660 -0.906 821 HMAB HEM 400 HMA3 HEM 400 14.976 6.391 -2.000 822 HAA HEM 400 HAA1 HEM 400 14.811 9.027 -2.353 823 HAAA HEM 400 HAA2 HEM 400 14.217 9.568 -3.913 824 HBA HEM 400 HBA1 HEM 400 15.087 6.798 -4.032 825 HBAA HEM 400 HBA2 HEM 400 16.374 7.855 -3.463 826 HMB HEM 400 HMB1 HEM 400 10.199 1.902 -1.825 827 HMBA HEM 400 HMB2 HEM 400 9.305 2.131 -0.315 828 HMBB HEM 400 HMB3 HEM 400 10.812 2.997 -0.605 829 HAB HEM 400 HAB HEM 400 6.482 2.136 -2.374 830 HBB HEM 400 HBB1 HEM 400 6.728 3.078 0.596 831 HBBA HEM 400 HBB2 HEM 400 5.639 1.674 -0.137 832 HMC HEM 400 HMC1 HEM 400 2.803 6.797 -2.890 833 HMCA HEM 400 HMC2 HEM 400 3.666 5.341 -3.403 834 HMCB HEM 400 HMC3 HEM 400 2.900 6.393 -4.593 835 HAC HEM 400 HAC HEM 400 3.838 9.812 -5.588 836 HBC HEM 400 HBC1 HEM 400 2.342 8.899 -2.995 837 HBCA HEM 400 HBC2 HEM 400 1.739 10.088 -4.374 838 HMD HEM 400 HMD1 HEM 400 6.886 12.655 -5.203 839 HMDA HEM 400 HMD2 HEM 400 7.877 12.618 -6.663 840 HMDB HEM 400 HMD3 HEM 400 8.368 13.589 -5.272 841 HAD HEM 400 HAD1 HEM 400 10.674 13.409 -4.623 842 HADA HEM 400 HAD2 HEM 400 11.951 12.211 -4.710 843 HBD HEM 400 HBD1 HEM 400 10.545 12.160 -7.193 844 HBDA HEM 400 HBD2 HEM 400 12.210 12.651 -6.885 845 HHA HEM 400 HA HEM 400 12.362 10.326 -4.172 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 21.907 -13.311 16.591 2 H2 MET 1 HT2 MET 1 22.699 -13.473 18.078 3 H3 MET 1 HT3 MET 1 21.865 -12.049 17.717 4 HA MET 1 HA MET 1 20.662 -14.729 18.080 5 HB2 MET 1 HB2 MET 1 21.448 -13.620 20.167 6 HB3 MET 1 HB1 MET 1 20.421 -12.244 19.792 7 HG2 MET 1 HG2 MET 1 18.449 -13.688 19.909 8 HG3 MET 1 HG1 MET 1 19.483 -15.058 20.304 9 HE1 MET 1 HE1 MET 1 21.602 -13.938 22.316 10 HE2 MET 1 HE2 MET 1 20.684 -15.417 22.590 11 HE3 MET 1 HE3 MET 1 20.787 -14.195 23.856 12 H ALA 2 HN ALA 2 19.903 -11.241 17.875 13 HA ALA 2 HA ALA 2 17.282 -11.884 16.793 14 HB1 ALA 2 HB1 ALA 2 17.402 -10.145 18.479 15 HB2 ALA 2 HB2 ALA 2 16.876 -9.459 16.940 16 HB3 ALA 2 HB3 ALA 2 18.538 -9.231 17.487 17 H ALA 3 HN ALA 3 17.672 -12.663 14.741 18 HA ALA 3 HA ALA 3 18.261 -10.655 12.739 19 HB1 ALA 3 HB1 ALA 3 20.486 -11.447 13.120 20 HB2 ALA 3 HB2 ALA 3 19.925 -12.136 11.598 21 HB3 ALA 3 HB3 ALA 3 19.955 -13.126 13.056 22 H GLN 4 HN GLN 4 17.014 -10.938 11.000 23 HA GLN 4 HA GLN 4 16.177 -13.527 10.094 24 HB2 GLN 4 HB2 GLN 4 13.745 -13.068 10.302 25 HB3 GLN 4 HB1 GLN 4 14.545 -13.277 11.851 26 HG2 GLN 4 HG2 GLN 4 14.601 -10.835 12.130 27 HG3 GLN 4 HG1 GLN 4 13.734 -10.662 10.602 28 HE21 GLN 4 HE21 GLN 4 11.556 -11.235 10.500 29 HE22 GLN 4 HE22 GLN 4 10.603 -11.479 11.923 30 H SER 5 HN SER 5 15.302 -13.464 8.011 31 HA SER 5 HA SER 5 14.813 -10.898 6.749 32 HB2 SER 5 HB2 SER 5 17.003 -12.735 5.739 33 HB3 SER 5 HB1 SER 5 16.467 -11.241 4.969 34 HG SER 5 HG SER 5 17.030 -10.624 7.463 35 H ASP 6 HN ASP 6 13.224 -13.168 7.399 36 HA ASP 6 HA ASP 6 12.832 -14.792 5.085 37 HB2 ASP 6 HB2 ASP 6 11.800 -14.654 7.764 38 HB3 ASP 6 HB1 ASP 6 10.471 -14.806 6.620 39 H LYS 7 HN LYS 7 11.406 -14.597 3.453 40 HA LYS 7 HA LYS 7 9.822 -12.114 3.342 41 HB2 LYS 7 HB2 LYS 7 10.834 -13.704 0.980 42 HB3 LYS 7 HB1 LYS 7 10.112 -12.106 0.955 43 HG2 LYS 7 HG2 LYS 7 12.702 -12.680 2.357 44 HG3 LYS 7 HG1 LYS 7 12.619 -12.227 0.653 45 HD2 LYS 7 HD2 LYS 7 11.481 -10.146 1.270 46 HD3 LYS 7 HD1 LYS 7 11.573 -10.607 2.973 47 HE2 LYS 7 HE2 LYS 7 13.721 -9.987 3.143 48 HE3 LYS 7 HE1 LYS 7 14.145 -10.719 1.594 49 HZ1 LYS 7 HZ1 LYS 7 12.857 -8.071 1.985 50 HZ2 LYS 7 HZ2 LYS 7 13.209 -8.771 0.485 51 HZ3 LYS 7 HZ3 LYS 7 14.465 -8.340 1.535 52 H ASP 8 HN ASP 8 7.655 -12.285 2.829 53 HA ASP 8 HA ASP 8 6.614 -14.838 1.920 54 HB2 ASP 8 HB2 ASP 8 6.604 -15.169 4.326 55 HB3 ASP 8 HB1 ASP 8 5.798 -13.620 4.568 56 H VAL 9 HN VAL 9 4.717 -14.667 0.811 57 HA VAL 9 HA VAL 9 3.660 -11.942 0.537 58 HB VAL 9 HB VAL 9 4.577 -12.636 -1.556 59 HG11 VAL 9 HG11 VAL 9 3.850 -14.667 -2.730 60 HG12 VAL 9 HG12 VAL 9 2.920 -15.141 -1.309 61 HG13 VAL 9 HG13 VAL 9 4.678 -15.029 -1.216 62 HG21 VAL 9 HG21 VAL 9 2.524 -11.412 -1.769 63 HG22 VAL 9 HG22 VAL 9 1.576 -12.886 -1.582 64 HG23 VAL 9 HG23 VAL 9 2.576 -12.657 -3.016 65 H LYS 10 HN LYS 10 1.853 -11.671 1.620 66 HA LYS 10 HA LYS 10 -0.030 -13.918 1.850 67 HB2 LYS 10 HB2 LYS 10 0.925 -12.823 3.930 68 HB3 LYS 10 HB1 LYS 10 0.023 -11.383 3.488 69 HG2 LYS 10 HG2 LYS 10 -2.066 -12.566 3.714 70 HG3 LYS 10 HG1 LYS 10 -1.210 -14.080 4.018 71 HD2 LYS 10 HD2 LYS 10 -1.022 -11.617 5.754 72 HD3 LYS 10 HD1 LYS 10 -2.066 -12.997 6.085 73 HE2 LYS 10 HE2 LYS 10 0.940 -13.096 5.864 74 HE3 LYS 10 HE1 LYS 10 0.030 -13.078 7.371 75 HZ1 LYS 10 HZ1 LYS 10 -0.158 -15.181 5.291 76 HZ2 LYS 10 HZ2 LYS 10 -0.977 -15.170 6.767 77 HZ3 LYS 10 HZ3 LYS 10 0.706 -15.315 6.736 78 H TYR 11 HN TYR 11 -1.993 -13.771 0.910 79 HA TYR 11 HA TYR 11 -2.541 -11.415 -0.691 80 HB2 TYR 11 HB2 TYR 11 -3.767 -14.149 -0.504 81 HB3 TYR 11 HB1 TYR 11 -4.609 -12.850 -1.337 82 HD1 TYR 11 HD2 TYR 11 -1.018 -13.885 -1.244 83 HD2 TYR 11 HD1 TYR 11 -4.476 -13.194 -3.625 84 HE1 TYR 11 HE2 TYR 11 0.288 -14.367 -3.264 85 HE2 TYR 11 HE1 TYR 11 -3.175 -13.679 -5.658 86 HH TYR 11 HH TYR 11 -0.077 -15.104 -5.544 87 H TYR 12 HN TYR 12 -3.245 -9.774 0.513 88 HA TYR 12 HA TYR 12 -5.150 -10.197 2.662 89 HB2 TYR 12 HB2 TYR 12 -3.960 -7.628 1.593 90 HB3 TYR 12 HB1 TYR 12 -4.928 -7.786 3.052 91 HD1 TYR 12 HD2 TYR 12 -4.009 -9.040 5.008 92 HD2 TYR 12 HD1 TYR 12 -1.638 -8.097 1.598 93 HE1 TYR 12 HE2 TYR 12 -1.969 -9.456 6.316 94 HE2 TYR 12 HE1 TYR 12 0.404 -8.508 2.898 95 HH TYR 12 HH TYR 12 1.183 -8.654 5.099 96 H THR 13 HN THR 13 -7.153 -8.996 2.774 97 HA THR 13 HA THR 13 -8.512 -8.948 0.212 98 HB THR 13 HB THR 13 -10.344 -8.203 2.161 99 HG1 THR 13 HG1 THR 13 -9.522 -10.308 3.517 100 HG21 THR 13 HG21 THR 13 -11.150 -10.524 1.954 101 HG22 THR 13 HG22 THR 13 -9.635 -10.972 1.174 102 HG23 THR 13 HG23 THR 13 -10.731 -9.836 0.386 103 H LEU 14 HN LEU 14 -9.712 -7.135 -0.518 104 HA LEU 14 HA LEU 14 -8.366 -4.673 -0.312 105 HB2 LEU 14 HB2 LEU 14 -9.757 -5.461 -2.238 106 HB3 LEU 14 HB1 LEU 14 -11.187 -5.139 -1.278 107 HG LEU 14 HG LEU 14 -10.206 -2.725 -1.108 108 HD11 LEU 14 HD11 LEU 14 -8.892 -2.028 -2.979 109 HD12 LEU 14 HD12 LEU 14 -8.933 -3.646 -3.677 110 HD13 LEU 14 HD13 LEU 14 -8.055 -3.355 -2.175 111 HD21 LEU 14 HD21 LEU 14 -11.398 -2.122 -3.177 112 HD22 LEU 14 HD22 LEU 14 -12.303 -3.261 -2.180 113 HD23 LEU 14 HD23 LEU 14 -11.457 -3.828 -3.619 114 H GLU 15 HN GLU 15 -11.213 -5.957 1.281 115 HA GLU 15 HA GLU 15 -11.931 -3.466 2.516 116 HB2 GLU 15 HB2 GLU 15 -13.403 -5.077 3.934 117 HB3 GLU 15 HB1 GLU 15 -13.778 -4.821 2.239 118 HG2 GLU 15 HG2 GLU 15 -12.061 -7.119 3.083 119 HG3 GLU 15 HG1 GLU 15 -13.819 -7.215 3.188 120 H GLU 16 HN GLU 16 -9.377 -5.428 3.090 121 HA GLU 16 HA GLU 16 -9.430 -4.892 5.983 122 HB2 GLU 16 HB2 GLU 16 -9.170 -7.295 5.186 123 HB3 GLU 16 HB1 GLU 16 -7.580 -6.827 4.595 124 HG2 GLU 16 HG2 GLU 16 -7.629 -7.927 6.852 125 HG3 GLU 16 HG1 GLU 16 -6.790 -6.378 6.770 126 H ILE 17 HN ILE 17 -7.423 -4.639 3.070 127 HA ILE 17 HA ILE 17 -5.177 -3.507 4.332 128 HB ILE 17 HB ILE 17 -4.717 -2.497 2.005 129 HG12 ILE 17 HG12 ILE 17 -6.039 -4.111 0.317 130 HG13 ILE 17 HG11 ILE 17 -7.287 -3.919 1.543 131 HG21 ILE 17 HG21 ILE 17 -4.039 -4.710 1.131 132 HG22 ILE 17 HG22 ILE 17 -4.958 -5.464 2.433 133 HG23 ILE 17 HG23 ILE 17 -3.572 -4.442 2.810 134 HD11 ILE 17 HD11 ILE 17 -7.290 -2.319 -0.437 135 HD12 ILE 17 HD12 ILE 17 -5.908 -1.551 0.343 136 HD13 ILE 17 HD13 ILE 17 -7.459 -1.630 1.175 137 H LYS 18 HN LYS 18 -8.123 -2.049 3.055 138 HA LYS 18 HA LYS 18 -7.130 0.617 3.672 139 HB2 LYS 18 HB2 LYS 18 -9.194 1.438 2.662 140 HB3 LYS 18 HB1 LYS 18 -8.385 0.304 1.590 141 HG2 LYS 18 HG2 LYS 18 -10.206 -0.945 1.479 142 HG3 LYS 18 HG1 LYS 18 -10.231 -1.127 3.234 143 HD2 LYS 18 HD2 LYS 18 -12.318 -0.163 2.429 144 HD3 LYS 18 HD1 LYS 18 -11.439 0.991 3.433 145 HE2 LYS 18 HE2 LYS 18 -10.526 1.984 1.306 146 HE3 LYS 18 HE1 LYS 18 -11.654 0.956 0.427 147 HZ1 LYS 18 HZ1 LYS 18 -12.518 2.860 2.519 148 HZ2 LYS 18 HZ2 LYS 18 -13.480 2.065 1.382 149 HZ3 LYS 18 HZ3 LYS 18 -12.416 3.281 0.885 150 H LYS 19 HN LYS 19 -7.931 -1.604 5.627 151 HA LYS 19 HA LYS 19 -9.721 0.047 7.290 152 HB2 LYS 19 HB2 LYS 19 -10.510 -2.279 6.490 153 HB3 LYS 19 HB1 LYS 19 -9.327 -2.923 7.615 154 HG2 LYS 19 HG2 LYS 19 -11.466 -2.935 8.672 155 HG3 LYS 19 HG1 LYS 19 -10.474 -1.696 9.442 156 HD2 LYS 19 HD2 LYS 19 -12.663 -0.790 9.122 157 HD3 LYS 19 HD1 LYS 19 -11.581 -0.003 7.974 158 HE2 LYS 19 HE2 LYS 19 -13.670 -0.572 6.893 159 HE3 LYS 19 HE1 LYS 19 -12.360 -1.536 6.214 160 HZ1 LYS 19 HZ1 LYS 19 -14.290 -2.898 6.594 161 HZ2 LYS 19 HZ2 LYS 19 -14.356 -2.444 8.217 162 HZ3 LYS 19 HZ3 LYS 19 -13.066 -3.378 7.653 163 H HIS 20 HN HIS 20 -6.632 -0.806 6.837 164 HA HIS 20 HA HIS 20 -5.984 -0.812 9.710 165 HB2 HIS 20 HB2 HIS 20 -4.876 -2.267 7.395 166 HB3 HIS 20 HB1 HIS 20 -3.675 -1.609 8.501 167 HD1 HIS 20 HD1 HIS 20 -6.611 -4.016 8.449 168 HD2 HIS 20 HD2 HIS 20 -3.379 -2.982 10.865 169 HE1 HIS 20 HE1 HIS 20 -6.523 -5.760 10.256 170 HE2 HIS 20 HE2 HIS 20 -4.637 -5.055 11.767 171 H ASN 21 HN ASN 21 -6.085 1.154 7.082 172 HA ASN 21 HA ASN 21 -3.569 2.492 7.308 173 HB2 ASN 21 HB2 ASN 21 -4.621 4.196 5.808 174 HB3 ASN 21 HB1 ASN 21 -4.686 2.556 5.179 175 HD21 ASN 21 HD21 ASN 21 -6.331 4.676 4.318 176 HD22 ASN 21 HD22 ASN 21 -7.966 4.291 4.729 177 H HIS 22 HN HIS 22 -3.488 2.918 9.570 178 HA HIS 22 HA HIS 22 -5.044 5.300 10.312 179 HB2 HIS 22 HB2 HIS 22 -4.417 2.892 12.008 180 HB3 HIS 22 HB1 HIS 22 -4.877 4.438 12.710 181 HD1 HIS 22 HD1 HIS 22 -7.335 5.115 12.566 182 HD2 HIS 22 HD2 HIS 22 -6.490 1.534 10.636 183 HE1 HIS 22 HE1 HIS 22 -9.564 4.100 12.025 184 HE2 HIS 22 HE2 HIS 22 -9.025 2.059 10.658 185 H SER 23 HN SER 23 -2.483 3.622 12.110 186 HA SER 23 HA SER 23 -0.682 5.864 11.568 187 HB2 SER 23 HB2 SER 23 -0.198 5.734 14.155 188 HB3 SER 23 HB1 SER 23 -1.550 6.693 13.548 189 HG SER 23 HG SER 23 -2.539 5.480 15.018 190 H LYS 24 HN LYS 24 -1.020 2.765 13.301 191 HA LYS 24 HA LYS 24 1.837 2.281 12.840 192 HB2 LYS 24 HB2 LYS 24 1.470 0.373 14.490 193 HB3 LYS 24 HB1 LYS 24 1.358 2.010 15.122 194 HG2 LYS 24 HG2 LYS 24 -1.237 1.359 14.350 195 HG3 LYS 24 HG1 LYS 24 -0.604 -0.095 15.121 196 HD2 LYS 24 HD2 LYS 24 -0.511 2.674 16.312 197 HD3 LYS 24 HD1 LYS 24 -1.718 1.450 16.706 198 HE2 LYS 24 HE2 LYS 24 -0.130 0.054 17.726 199 HE3 LYS 24 HE1 LYS 24 1.224 0.918 17.000 200 HZ1 LYS 24 HZ1 LYS 24 0.743 2.808 18.400 201 HZ2 LYS 24 HZ2 LYS 24 0.950 1.432 19.358 202 HZ3 LYS 24 HZ3 LYS 24 -0.601 2.029 19.062 203 H SER 25 HN SER 25 -0.705 1.782 11.050 204 HA SER 25 HA SER 25 0.373 -0.689 9.943 205 HB2 SER 25 HB2 SER 25 -2.578 -0.372 10.554 206 HB3 SER 25 HB1 SER 25 -1.820 -1.752 9.761 207 HG SER 25 HG SER 25 -0.482 -1.666 11.876 208 H THR 26 HN THR 26 0.381 2.115 9.215 209 HA THR 26 HA THR 26 -1.475 2.585 7.098 210 HB THR 26 HB THR 26 1.155 3.995 7.251 211 HG1 THR 26 HG1 THR 26 0.781 4.180 9.352 212 HG21 THR 26 HG21 THR 26 -0.239 5.951 6.790 213 HG22 THR 26 HG22 THR 26 -1.689 4.951 6.892 214 HG23 THR 26 HG23 THR 26 -0.521 4.684 5.596 215 H TRP 27 HN TRP 27 -1.389 0.957 5.592 216 HA TRP 27 HA TRP 27 1.184 0.417 4.293 217 HB2 TRP 27 HB2 TRP 27 -1.422 -1.117 4.238 218 HB3 TRP 27 HB1 TRP 27 0.012 -1.563 3.321 219 HD1 TRP 27 HD1 TRP 27 1.792 -0.661 6.139 220 HE1 TRP 27 HE1 TRP 27 2.032 -2.527 7.887 221 HE3 TRP 27 HE3 TRP 27 -2.007 -3.711 4.592 222 HZ2 TRP 27 HZ2 TRP 27 0.773 -4.968 8.531 223 HZ3 TRP 27 HZ3 TRP 27 -2.419 -5.799 5.828 224 HH2 TRP 27 HH2 TRP 27 -1.055 -6.413 7.758 225 H LEU 28 HN LEU 28 1.421 0.529 2.069 226 HA LEU 28 HA LEU 28 -0.720 1.961 0.632 227 HB2 LEU 28 HB2 LEU 28 2.252 2.345 0.596 228 HB3 LEU 28 HB1 LEU 28 1.302 2.755 -0.819 229 HG LEU 28 HG LEU 28 -0.025 4.006 1.296 230 HD11 LEU 28 HD11 LEU 28 1.714 5.323 2.386 231 HD12 LEU 28 HD12 LEU 28 2.954 4.382 1.555 232 HD13 LEU 28 HD13 LEU 28 1.901 3.605 2.735 233 HD21 LEU 28 HD21 LEU 28 0.764 6.057 0.225 234 HD22 LEU 28 HD22 LEU 28 0.242 4.868 -0.969 235 HD23 LEU 28 HD23 LEU 28 1.962 5.128 -0.676 236 H ILE 29 HN ILE 29 -1.044 1.374 -1.556 237 HA ILE 29 HA ILE 29 0.105 -1.254 -2.229 238 HB ILE 29 HB ILE 29 -2.524 -0.091 -3.161 239 HG12 ILE 29 HG12 ILE 29 -2.093 -2.362 -1.220 240 HG13 ILE 29 HG11 ILE 29 -2.371 -0.703 -0.705 241 HG21 ILE 29 HG21 ILE 29 -2.969 -2.349 -3.997 242 HG22 ILE 29 HG22 ILE 29 -1.349 -2.846 -3.506 243 HG23 ILE 29 HG23 ILE 29 -1.554 -1.633 -4.770 244 HD11 ILE 29 HD11 ILE 29 -4.272 -2.224 -2.458 245 HD12 ILE 29 HD12 ILE 29 -4.551 -0.696 -1.619 246 HD13 ILE 29 HD13 ILE 29 -4.373 -2.191 -0.699 247 H LEU 30 HN LEU 30 1.339 -1.383 -3.949 248 HA LEU 30 HA LEU 30 1.061 0.614 -6.091 249 HB2 LEU 30 HB2 LEU 30 3.701 -0.394 -5.023 250 HB3 LEU 30 HB1 LEU 30 3.472 0.780 -6.304 251 HG LEU 30 HG LEU 30 2.572 1.270 -3.473 252 HD11 LEU 30 HD11 LEU 30 4.615 2.535 -3.153 253 HD12 LEU 30 HD12 LEU 30 5.175 2.074 -4.761 254 HD13 LEU 30 HD13 LEU 30 4.983 0.847 -3.507 255 HD21 LEU 30 HD21 LEU 30 3.094 3.098 -5.815 256 HD22 LEU 30 HD22 LEU 30 2.660 3.620 -4.189 257 HD23 LEU 30 HD23 LEU 30 1.518 2.678 -5.144 258 H HIS 31 HN HIS 31 0.716 -0.377 -7.955 259 HA HIS 31 HA HIS 31 0.665 -1.932 -9.607 260 HB2 HIS 31 HB2 HIS 31 3.166 -2.881 -8.204 261 HB3 HIS 31 HB1 HIS 31 2.550 -3.652 -9.659 262 HD1 HIS 31 HD1 HIS 31 2.507 -2.113 -11.844 263 HD2 HIS 31 HD2 HIS 31 4.678 -0.639 -8.621 264 HE1 HIS 31 HE1 HIS 31 3.966 -0.295 -12.786 265 HE2 HIS 31 HE2 HIS 31 5.408 0.436 -10.860 266 H HIS 32 HN HIS 32 -0.812 -2.235 -7.193 267 HA HIS 32 HA HIS 32 -2.295 -3.665 -6.276 268 HB2 HIS 32 HB2 HIS 32 -1.334 -5.589 -8.406 269 HB3 HIS 32 HB1 HIS 32 -2.724 -5.861 -7.357 270 HD1 HIS 32 HD1 HIS 32 -2.463 -5.290 -10.631 271 HD2 HIS 32 HD2 HIS 32 -4.148 -2.928 -7.656 272 HE1 HIS 32 HE1 HIS 32 -4.080 -3.769 -11.807 273 HE2 HIS 32 HE2 HIS 32 -4.921 -2.215 -10.013 274 H LYS 33 HN LYS 33 0.679 -3.624 -5.624 275 HA LYS 33 HA LYS 33 0.795 -6.120 -4.060 276 HB2 LYS 33 HB2 LYS 33 3.140 -4.283 -4.504 277 HB3 LYS 33 HB1 LYS 33 3.145 -5.989 -4.082 278 HG2 LYS 33 HG2 LYS 33 1.905 -5.424 -6.665 279 HG3 LYS 33 HG1 LYS 33 3.605 -4.966 -6.569 280 HD2 LYS 33 HD2 LYS 33 4.197 -7.207 -5.851 281 HD3 LYS 33 HD1 LYS 33 2.496 -7.674 -5.845 282 HE2 LYS 33 HE2 LYS 33 2.367 -7.301 -8.243 283 HE3 LYS 33 HE1 LYS 33 4.050 -6.774 -8.267 284 HZ1 LYS 33 HZ1 LYS 33 3.282 -9.460 -7.285 285 HZ2 LYS 33 HZ2 LYS 33 4.796 -8.922 -7.817 286 HZ3 LYS 33 HZ3 LYS 33 3.551 -9.162 -8.932 287 H VAL 34 HN VAL 34 1.086 -5.978 -1.834 288 HA VAL 34 HA VAL 34 0.449 -3.365 -0.696 289 HB VAL 34 HB VAL 34 0.654 -5.974 0.804 290 HG11 VAL 34 HG11 VAL 34 -0.865 -4.867 2.375 291 HG12 VAL 34 HG12 VAL 34 -0.834 -3.412 1.376 292 HG13 VAL 34 HG13 VAL 34 0.638 -3.964 2.180 293 HG21 VAL 34 HG21 VAL 34 -0.927 -6.277 -1.022 294 HG22 VAL 34 HG22 VAL 34 -1.774 -4.805 -0.550 295 HG23 VAL 34 HG23 VAL 34 -1.770 -6.203 0.525 296 H TYR 35 HN TYR 35 1.940 -2.105 0.196 297 HA TYR 35 HA TYR 35 4.464 -3.341 1.082 298 HB2 TYR 35 HB2 TYR 35 4.022 -0.624 -0.172 299 HB3 TYR 35 HB1 TYR 35 5.551 -1.169 0.511 300 HD1 TYR 35 HD2 TYR 35 6.733 -3.113 -0.540 301 HD2 TYR 35 HD1 TYR 35 3.362 -1.263 -2.363 302 HE1 TYR 35 HE2 TYR 35 7.336 -4.143 -2.690 303 HE2 TYR 35 HE1 TYR 35 3.957 -2.295 -4.514 304 HH TYR 35 HH TYR 35 5.941 -3.204 -5.636 305 H ASP 36 HN ASP 36 5.098 -2.979 3.097 306 HA ASP 36 HA ASP 36 3.469 -1.198 4.759 307 HB2 ASP 36 HB2 ASP 36 3.540 -3.326 5.756 308 HB3 ASP 36 HB1 ASP 36 5.246 -3.544 5.382 309 H LEU 37 HN LEU 37 4.222 0.741 5.100 310 HA LEU 37 HA LEU 37 7.023 1.116 5.799 311 HB2 LEU 37 HB2 LEU 37 7.263 3.045 4.313 312 HB3 LEU 37 HB1 LEU 37 7.002 1.566 3.411 313 HG LEU 37 HG LEU 37 4.616 3.239 4.009 314 HD11 LEU 37 HD11 LEU 37 6.686 3.953 1.937 315 HD12 LEU 37 HD12 LEU 37 6.228 4.917 3.341 316 HD13 LEU 37 HD13 LEU 37 5.066 4.645 2.041 317 HD21 LEU 37 HD21 LEU 37 3.948 2.454 1.811 318 HD22 LEU 37 HD22 LEU 37 4.438 1.095 2.823 319 HD23 LEU 37 HD23 LEU 37 5.527 1.705 1.575 320 H THR 38 HN THR 38 4.579 1.039 7.236 321 HA THR 38 HA THR 38 3.498 3.573 7.768 322 HB THR 38 HB THR 38 2.553 1.298 8.410 323 HG1 THR 38 HG1 THR 38 2.561 3.177 10.546 324 HG21 THR 38 HG21 THR 38 4.357 1.688 10.809 325 HG22 THR 38 HG22 THR 38 4.523 0.426 9.585 326 HG23 THR 38 HG23 THR 38 3.110 0.454 10.640 327 H LYS 39 HN LYS 39 6.509 2.201 8.664 328 HA LYS 39 HA LYS 39 6.868 4.195 10.784 329 HB2 LYS 39 HB2 LYS 39 7.844 1.490 10.376 330 HB3 LYS 39 HB1 LYS 39 9.161 2.609 10.696 331 HG2 LYS 39 HG2 LYS 39 6.710 2.354 12.421 332 HG3 LYS 39 HG1 LYS 39 8.238 1.518 12.725 333 HD2 LYS 39 HD2 LYS 39 9.371 3.531 13.140 334 HD3 LYS 39 HD1 LYS 39 8.093 4.498 12.406 335 HE2 LYS 39 HE2 LYS 39 6.586 3.707 14.263 336 HE3 LYS 39 HE1 LYS 39 8.024 3.038 15.033 337 HZ1 LYS 39 HZ1 LYS 39 8.987 5.217 15.128 338 HZ2 LYS 39 HZ2 LYS 39 7.455 5.270 15.839 339 HZ3 LYS 39 HZ3 LYS 39 7.684 5.888 14.286 340 H PHE 40 HN PHE 40 7.179 4.162 7.592 341 HA PHE 40 HA PHE 40 9.659 5.764 7.655 342 HB2 PHE 40 HB2 PHE 40 8.703 3.818 5.555 343 HB3 PHE 40 HB1 PHE 40 9.939 5.025 5.229 344 HD1 PHE 40 HD2 PHE 40 12.138 4.852 6.240 345 HD2 PHE 40 HD1 PHE 40 9.149 1.909 6.943 346 HE1 PHE 40 HE2 PHE 40 13.856 3.321 7.112 347 HE2 PHE 40 HE1 PHE 40 10.858 0.373 7.814 348 HZ PHE 40 HZ PHE 40 13.215 1.078 7.903 349 H LEU 41 HN LEU 41 6.553 6.153 7.628 350 HA LEU 41 HA LEU 41 5.829 7.511 5.296 351 HB2 LEU 41 HB2 LEU 41 4.867 8.042 8.107 352 HB3 LEU 41 HB1 LEU 41 4.057 8.528 6.634 353 HG LEU 41 HG LEU 41 4.530 5.649 7.396 354 HD11 LEU 41 HD11 LEU 41 3.098 6.745 9.047 355 HD12 LEU 41 HD12 LEU 41 2.191 5.594 8.064 356 HD13 LEU 41 HD13 LEU 41 2.049 7.325 7.754 357 HD21 LEU 41 HD21 LEU 41 2.686 6.897 5.364 358 HD22 LEU 41 HD22 LEU 41 2.891 5.174 5.683 359 HD23 LEU 41 HD23 LEU 41 4.220 6.108 4.998 360 H GLU 42 HN GLU 42 7.069 8.800 8.370 361 HA GLU 42 HA GLU 42 7.271 11.467 7.312 362 HB2 GLU 42 HB2 GLU 42 8.251 12.018 9.502 363 HB3 GLU 42 HB1 GLU 42 6.724 11.166 9.653 364 HG2 GLU 42 HG2 GLU 42 7.877 9.110 10.180 365 HG3 GLU 42 HG1 GLU 42 9.436 9.895 9.921 366 H GLU 43 HN GLU 43 9.053 8.852 6.685 367 HA GLU 43 HA GLU 43 11.609 10.310 6.660 368 HB2 GLU 43 HB2 GLU 43 11.098 7.335 6.456 369 HB3 GLU 43 HB1 GLU 43 12.680 8.104 6.435 370 HG2 GLU 43 HG2 GLU 43 11.534 9.075 8.745 371 HG3 GLU 43 HG1 GLU 43 10.977 7.403 8.678 372 H HIS 44 HN HIS 44 9.101 9.900 4.770 373 HA HIS 44 HA HIS 44 10.468 9.125 2.322 374 HB2 HIS 44 HB2 HIS 44 8.213 8.258 2.743 375 HB3 HIS 44 HB1 HIS 44 7.591 9.900 2.851 376 HD1 HIS 44 HD1 HIS 44 6.930 11.025 0.671 377 HD2 HIS 44 HD2 HIS 44 9.025 7.476 0.111 378 HE1 HIS 44 HE1 HIS 44 6.804 10.509 -1.801 379 HA PRO 45 HA PRO 45 11.532 13.333 1.345 380 HB2 PRO 45 HB2 PRO 45 11.852 12.975 -1.362 381 HB3 PRO 45 HB1 PRO 45 13.077 12.556 -0.157 382 HG2 PRO 45 HG2 PRO 45 11.109 10.788 -1.526 383 HG3 PRO 45 HG1 PRO 45 12.813 10.482 -1.139 384 HD2 PRO 45 HD2 PRO 45 10.837 9.435 0.335 385 HD3 PRO 45 HD1 PRO 45 12.365 9.972 1.067 386 H GLY 46 HN GLY 46 9.872 14.712 1.497 387 HA2 GLY 46 HA2 GLY 46 8.486 16.117 -0.018 388 HA3 GLY 46 HA1 GLY 46 7.789 14.608 -0.594 389 H GLY 47 HN GLY 47 8.043 13.678 2.342 390 HA2 GLY 47 HA2 GLY 47 6.893 14.320 4.378 391 HA3 GLY 47 HA1 GLY 47 5.736 15.194 3.384 392 H GLU 48 HN GLU 48 4.624 13.630 5.171 393 HA GLU 48 HA GLU 48 4.104 11.036 3.920 394 HB2 GLU 48 HB2 GLU 48 3.333 10.266 5.972 395 HB3 GLU 48 HB1 GLU 48 4.612 11.373 6.441 396 HG2 GLU 48 HG2 GLU 48 1.968 12.605 6.245 397 HG3 GLU 48 HG1 GLU 48 2.096 11.346 7.471 398 H GLU 49 HN GLU 49 2.891 14.082 3.735 399 HA GLU 49 HA GLU 49 0.129 13.842 3.991 400 HB2 GLU 49 HB2 GLU 49 1.356 15.975 3.647 401 HB3 GLU 49 HB1 GLU 49 1.617 15.523 1.969 402 HG2 GLU 49 HG2 GLU 49 -0.206 17.030 2.018 403 HG3 GLU 49 HG1 GLU 49 -0.857 15.426 1.684 404 H VAL 50 HN VAL 50 2.122 13.384 1.073 405 HA VAL 50 HA VAL 50 -0.065 12.588 -0.558 406 HB VAL 50 HB VAL 50 1.660 11.789 -2.152 407 HG11 VAL 50 HG11 VAL 50 1.990 14.533 -0.962 408 HG12 VAL 50 HG12 VAL 50 0.996 14.057 -2.337 409 HG13 VAL 50 HG13 VAL 50 2.752 14.029 -2.470 410 HG21 VAL 50 HG21 VAL 50 4.045 12.282 -1.613 411 HG22 VAL 50 HG22 VAL 50 3.350 10.968 -0.665 412 HG23 VAL 50 HG23 VAL 50 3.560 12.562 0.060 413 H LEU 51 HN LEU 51 1.632 10.939 1.874 414 HA LEU 51 HA LEU 51 1.184 8.311 0.701 415 HB2 LEU 51 HB2 LEU 51 2.405 9.077 3.349 416 HB3 LEU 51 HB1 LEU 51 2.340 7.456 2.690 417 HG LEU 51 HG LEU 51 3.888 9.781 1.542 418 HD11 LEU 51 HD11 LEU 51 4.775 7.249 2.918 419 HD12 LEU 51 HD12 LEU 51 4.880 8.886 3.564 420 HD13 LEU 51 HD13 LEU 51 5.843 8.428 2.160 421 HD21 LEU 51 HD21 LEU 51 3.632 6.926 0.599 422 HD22 LEU 51 HD22 LEU 51 4.818 8.084 -0.001 423 HD23 LEU 51 HD23 LEU 51 3.098 8.375 -0.252 424 H ARG 52 HN ARG 52 0.168 10.152 3.589 425 HA ARG 52 HA ARG 52 -1.487 8.108 4.601 426 HB2 ARG 52 HB2 ARG 52 -2.616 9.999 5.894 427 HB3 ARG 52 HB1 ARG 52 -0.907 9.726 6.179 428 HG2 ARG 52 HG2 ARG 52 -1.074 12.026 6.066 429 HG3 ARG 52 HG1 ARG 52 -0.532 11.588 4.447 430 HD2 ARG 52 HD2 ARG 52 -2.308 13.282 4.421 431 HD3 ARG 52 HD1 ARG 52 -2.779 11.797 3.599 432 HE ARG 52 HE ARG 52 -3.969 11.261 5.767 433 HH11 ARG 52 HH11 ARG 52 -3.370 14.575 4.706 434 HH12 ARG 52 HH12 ARG 52 -4.859 15.204 5.517 435 HH21 ARG 52 HH21 ARG 52 -5.864 12.035 6.778 436 HH22 ARG 52 HH22 ARG 52 -6.247 13.793 6.659 437 H GLU 53 HN GLU 53 -2.041 10.397 2.069 438 HA GLU 53 HA GLU 53 -4.916 9.988 2.174 439 HB2 GLU 53 HB2 GLU 53 -5.043 11.556 0.325 440 HB3 GLU 53 HB1 GLU 53 -4.049 12.210 1.619 441 HG2 GLU 53 HG2 GLU 53 -2.042 11.717 0.394 442 HG3 GLU 53 HG1 GLU 53 -2.967 10.893 -0.863 443 H GLN 54 HN GLN 54 -2.338 8.298 1.007 444 HA GLN 54 HA GLN 54 -3.974 7.062 -1.110 445 HB2 GLN 54 HB2 GLN 54 -0.987 7.448 -0.937 446 HB3 GLN 54 HB1 GLN 54 -1.722 6.289 -2.033 447 HG2 GLN 54 HG2 GLN 54 -2.183 9.261 -2.022 448 HG3 GLN 54 HG1 GLN 54 -1.191 8.362 -3.169 449 HE21 GLN 54 HE21 GLN 54 -4.411 9.145 -2.163 450 HE22 GLN 54 HE22 GLN 54 -5.220 8.514 -3.553 451 H ALA 55 HN ALA 55 -3.063 6.676 1.941 452 HA ALA 55 HA ALA 55 -2.040 4.020 2.014 453 HB1 ALA 55 HB1 ALA 55 -3.443 5.616 4.160 454 HB2 ALA 55 HB2 ALA 55 -1.704 5.586 3.864 455 HB3 ALA 55 HB3 ALA 55 -2.534 4.127 4.411 456 H GLY 56 HN GLY 56 -3.098 2.173 1.777 457 HA2 GLY 56 HA2 GLY 56 -4.868 0.655 2.009 458 HA3 GLY 56 HA1 GLY 56 -5.932 1.993 2.429 459 H GLY 57 HN GLY 57 -3.975 2.476 -0.329 460 HA2 GLY 57 HA2 GLY 57 -5.993 1.442 -2.165 461 HA3 GLY 57 HA1 GLY 57 -5.727 3.181 -2.165 462 H ASP 58 HN ASP 58 -5.328 1.819 -4.462 463 HA ASP 58 HA ASP 58 -2.521 1.140 -4.739 464 HB2 ASP 58 HB2 ASP 58 -4.403 -0.052 -5.952 465 HB3 ASP 58 HB1 ASP 58 -4.611 1.406 -6.910 466 H ALA 59 HN ALA 59 -1.163 2.804 -4.700 467 HA ALA 59 HA ALA 59 -1.936 5.355 -5.926 468 HB1 ALA 59 HB1 ALA 59 -1.082 5.257 -3.569 469 HB2 ALA 59 HB2 ALA 59 -0.217 6.369 -4.630 470 HB3 ALA 59 HB3 ALA 59 0.489 4.804 -4.227 471 H THR 60 HN THR 60 -0.966 2.855 -7.357 472 HA THR 60 HA THR 60 1.591 3.177 -8.368 473 HB THR 60 HB THR 60 -0.721 2.214 -10.039 474 HG1 THR 60 HG1 THR 60 -1.042 0.839 -8.450 475 HG21 THR 60 HG21 THR 60 2.179 1.385 -9.860 476 HG22 THR 60 HG22 THR 60 1.458 2.339 -11.154 477 HG23 THR 60 HG23 THR 60 0.969 0.663 -10.917 478 H GLU 61 HN GLU 61 -1.406 4.738 -9.302 479 HA GLU 61 HA GLU 61 -0.767 5.903 -11.704 480 HB2 GLU 61 HB2 GLU 61 -2.328 7.771 -10.932 481 HB3 GLU 61 HB1 GLU 61 -2.981 6.138 -10.918 482 HG2 GLU 61 HG2 GLU 61 -2.578 5.993 -8.512 483 HG3 GLU 61 HG1 GLU 61 -1.911 7.625 -8.523 484 H ASN 62 HN ASN 62 -0.073 7.185 -8.458 485 HA ASN 62 HA ASN 62 1.272 9.505 -9.490 486 HB2 ASN 62 HB2 ASN 62 0.065 9.085 -7.160 487 HB3 ASN 62 HB1 ASN 62 1.685 8.587 -6.681 488 HD21 ASN 62 HD21 ASN 62 -0.368 11.200 -7.523 489 HD22 ASN 62 HD22 ASN 62 0.753 12.477 -7.216 490 H PHE 63 HN PHE 63 2.159 6.363 -8.291 491 HA PHE 63 HA PHE 63 4.909 6.712 -7.926 492 HB2 PHE 63 HB2 PHE 63 3.359 4.720 -7.327 493 HB3 PHE 63 HB1 PHE 63 3.696 4.155 -8.958 494 HD1 PHE 63 HD2 PHE 63 5.122 4.810 -5.644 495 HD2 PHE 63 HD1 PHE 63 5.847 3.249 -9.537 496 HE1 PHE 63 HE2 PHE 63 7.182 3.743 -4.828 497 HE2 PHE 63 HE1 PHE 63 7.910 2.177 -8.724 498 HZ PHE 63 HZ PHE 63 8.578 2.425 -6.367 499 H GLU 64 HN GLU 64 3.053 5.792 -10.806 500 HA GLU 64 HA GLU 64 5.458 5.641 -12.422 501 HB2 GLU 64 HB2 GLU 64 3.913 5.073 -14.263 502 HB3 GLU 64 HB1 GLU 64 3.706 4.025 -12.868 503 HG2 GLU 64 HG2 GLU 64 1.689 5.038 -12.263 504 HG3 GLU 64 HG1 GLU 64 1.981 6.434 -13.299 505 H ASP 65 HN ASP 65 3.029 7.977 -11.649 506 HA ASP 65 HA ASP 65 3.259 9.612 -13.957 507 HB2 ASP 65 HB2 ASP 65 1.372 9.835 -12.403 508 HB3 ASP 65 HB1 ASP 65 2.469 10.356 -11.129 509 H VAL 66 HN VAL 66 4.706 9.844 -10.722 510 HA VAL 66 HA VAL 66 6.470 11.976 -11.498 511 HB VAL 66 HB VAL 66 6.615 10.237 -9.027 512 HG11 VAL 66 HG11 VAL 66 8.663 11.490 -9.499 513 HG12 VAL 66 HG12 VAL 66 7.855 12.084 -8.049 514 HG13 VAL 66 HG13 VAL 66 7.733 12.985 -9.559 515 HG21 VAL 66 HG21 VAL 66 4.424 11.442 -9.406 516 HG22 VAL 66 HG22 VAL 66 5.329 12.946 -9.228 517 HG23 VAL 66 HG23 VAL 66 5.257 11.793 -7.895 518 H GLY 67 HN GLY 67 6.727 8.505 -10.969 519 HA2 GLY 67 HA2 GLY 67 8.204 7.056 -12.057 520 HA3 GLY 67 HA1 GLY 67 9.128 8.450 -12.608 521 H HIS 68 HN HIS 68 9.436 5.811 -10.791 522 HA HIS 68 HA HIS 68 11.089 7.162 -8.769 523 HB2 HIS 68 HB2 HIS 68 9.561 4.585 -8.724 524 HB3 HIS 68 HB1 HIS 68 10.957 4.790 -7.670 525 HD1 HIS 68 HD1 HIS 68 7.683 6.611 -8.416 526 HD2 HIS 68 HD2 HIS 68 10.355 5.920 -5.308 527 HE1 HIS 68 HE1 HIS 68 6.677 7.690 -6.366 528 H SER 69 HN SER 69 13.191 6.541 -8.465 529 HA SER 69 HA SER 69 14.570 5.564 -10.723 530 HB2 SER 69 HB2 SER 69 15.665 5.838 -7.923 531 HB3 SER 69 HB1 SER 69 16.552 5.948 -9.449 532 HG SER 69 HG SER 69 15.672 7.966 -8.177 533 H THR 70 HN THR 70 16.052 3.743 -10.754 534 HA THR 70 HA THR 70 14.830 1.304 -10.297 535 HB THR 70 HB THR 70 17.821 1.622 -10.410 536 HG1 THR 70 HG1 THR 70 16.202 1.560 -12.727 537 HG21 THR 70 HG21 THR 70 15.903 -0.419 -11.541 538 HG22 THR 70 HG22 THR 70 16.993 -0.655 -10.179 539 HG23 THR 70 HG23 THR 70 17.646 -0.417 -11.798 540 H ASP 71 HN ASP 71 17.369 2.892 -8.386 541 HA ASP 71 HA ASP 71 17.683 0.884 -6.464 542 HB2 ASP 71 HB2 ASP 71 19.150 2.920 -6.891 543 HB3 ASP 71 HB1 ASP 71 17.994 3.834 -5.928 544 H ALA 72 HN ALA 72 15.359 3.490 -6.719 545 HA ALA 72 HA ALA 72 14.345 3.358 -4.086 546 HB1 ALA 72 HB1 ALA 72 13.975 5.297 -5.484 547 HB2 ALA 72 HB2 ALA 72 12.431 4.615 -4.981 548 HB3 ALA 72 HB3 ALA 72 13.026 4.335 -6.616 549 H ARG 73 HN ARG 73 13.199 1.887 -7.139 550 HA ARG 73 HA ARG 73 11.024 0.560 -5.895 551 HB2 ARG 73 HB2 ARG 73 10.983 -0.845 -7.989 552 HB3 ARG 73 HB1 ARG 73 10.838 0.888 -8.231 553 HG2 ARG 73 HG2 ARG 73 12.406 0.640 -9.783 554 HG3 ARG 73 HG1 ARG 73 13.542 0.466 -8.443 555 HD2 ARG 73 HD2 ARG 73 13.838 -1.368 -9.991 556 HD3 ARG 73 HD1 ARG 73 13.170 -1.972 -8.478 557 HE ARG 73 HE ARG 73 11.135 -1.377 -10.390 558 HH11 ARG 73 HH11 ARG 73 13.544 -3.761 -9.425 559 HH12 ARG 73 HH12 ARG 73 12.627 -5.140 -10.157 560 HH21 ARG 73 HH21 ARG 73 9.940 -3.097 -11.321 561 HH22 ARG 73 HH22 ARG 73 10.609 -4.768 -11.200 562 H GLU 74 HN GLU 74 14.386 -0.256 -6.324 563 HA GLU 74 HA GLU 74 14.171 -3.019 -5.714 564 HB2 GLU 74 HB2 GLU 74 16.469 -1.073 -5.459 565 HB3 GLU 74 HB1 GLU 74 16.619 -2.791 -5.109 566 HG2 GLU 74 HG2 GLU 74 15.868 -1.571 -7.760 567 HG3 GLU 74 HG1 GLU 74 17.422 -2.286 -7.337 568 H LEU 75 HN LEU 75 14.799 -0.126 -3.778 569 HA LEU 75 HA LEU 75 15.158 -1.422 -1.299 570 HB2 LEU 75 HB2 LEU 75 15.814 0.918 -1.748 571 HB3 LEU 75 HB1 LEU 75 14.123 1.363 -1.852 572 HG LEU 75 HG LEU 75 13.932 0.520 0.567 573 HD11 LEU 75 HD11 LEU 75 15.956 0.504 1.867 574 HD12 LEU 75 HD12 LEU 75 16.918 0.900 0.445 575 HD13 LEU 75 HD13 LEU 75 16.106 -0.661 0.553 576 HD21 LEU 75 HD21 LEU 75 14.683 2.671 1.445 577 HD22 LEU 75 HD22 LEU 75 13.833 2.877 -0.085 578 HD23 LEU 75 HD23 LEU 75 15.593 2.967 -0.035 579 H SER 76 HN SER 76 12.334 -0.573 -3.119 580 HA SER 76 HA SER 76 10.446 -0.611 -1.007 581 HB2 SER 76 HB2 SER 76 10.010 -1.151 -3.953 582 HB3 SER 76 HB1 SER 76 8.764 -0.724 -2.778 583 HG SER 76 HG SER 76 11.006 0.920 -3.380 584 H LYS 77 HN LYS 77 12.171 -3.120 -2.528 585 HA LYS 77 HA LYS 77 10.187 -5.163 -2.293 586 HB2 LYS 77 HB2 LYS 77 12.391 -5.035 -3.757 587 HB3 LYS 77 HB1 LYS 77 13.085 -5.850 -2.360 588 HG2 LYS 77 HG2 LYS 77 11.631 -7.701 -2.596 589 HG3 LYS 77 HG1 LYS 77 10.624 -6.847 -3.767 590 HD2 LYS 77 HD2 LYS 77 12.664 -6.752 -5.254 591 HD3 LYS 77 HD1 LYS 77 13.426 -7.876 -4.131 592 HE2 LYS 77 HE2 LYS 77 11.769 -9.541 -4.567 593 HE3 LYS 77 HE1 LYS 77 10.801 -8.408 -5.508 594 HZ1 LYS 77 HZ1 LYS 77 12.533 -8.322 -7.162 595 HZ2 LYS 77 HZ2 LYS 77 12.080 -9.931 -6.902 596 HZ3 LYS 77 HZ3 LYS 77 13.519 -9.345 -6.244 597 H THR 78 HN THR 78 11.842 -3.524 0.053 598 HA THR 78 HA THR 78 11.977 -5.858 1.820 599 HB THR 78 HB THR 78 13.906 -4.143 1.627 600 HG1 THR 78 HG1 THR 78 12.944 -4.675 4.259 601 HG21 THR 78 HG21 THR 78 12.567 -2.111 1.868 602 HG22 THR 78 HG22 THR 78 13.757 -2.237 3.160 603 HG23 THR 78 HG23 THR 78 12.069 -2.621 3.482 604 H PHE 79 HN PHE 79 9.737 -3.743 0.842 605 HA PHE 79 HA PHE 79 8.479 -3.522 3.497 606 HB2 PHE 79 HB2 PHE 79 7.871 -1.911 1.007 607 HB3 PHE 79 HB1 PHE 79 7.161 -1.677 2.597 608 HD1 PHE 79 HD2 PHE 79 9.304 -1.631 4.442 609 HD2 PHE 79 HD1 PHE 79 9.213 -0.177 0.449 610 HE1 PHE 79 HE2 PHE 79 11.089 -0.029 4.990 611 HE2 PHE 79 HE1 PHE 79 10.995 1.428 0.981 612 HZ PHE 79 HZ PHE 79 11.938 1.508 3.257 613 H ILE 80 HN ILE 80 8.387 -5.250 0.649 614 HA ILE 80 HA ILE 80 5.570 -5.501 0.291 615 HB ILE 80 HB ILE 80 7.020 -5.934 -1.580 616 HG12 ILE 80 HG12 ILE 80 6.284 -8.401 -2.063 617 HG13 ILE 80 HG11 ILE 80 5.399 -8.231 -0.549 618 HG21 ILE 80 HG21 ILE 80 8.993 -6.729 -0.433 619 HG22 ILE 80 HG22 ILE 80 8.510 -7.883 -1.676 620 HG23 ILE 80 HG23 ILE 80 8.157 -8.216 0.019 621 HD11 ILE 80 HD11 ILE 80 3.972 -7.741 -2.436 622 HD12 ILE 80 HD12 ILE 80 5.096 -6.503 -2.991 623 HD13 ILE 80 HD13 ILE 80 4.227 -6.286 -1.471 624 H ILE 81 HN ILE 81 4.221 -6.515 1.604 625 HA ILE 81 HA ILE 81 5.218 -8.858 3.093 626 HB ILE 81 HB ILE 81 3.656 -8.408 4.878 627 HG12 ILE 81 HG12 ILE 81 2.013 -7.211 3.240 628 HG13 ILE 81 HG11 ILE 81 2.062 -6.721 4.927 629 HG21 ILE 81 HG21 ILE 81 5.309 -5.987 4.182 630 HG22 ILE 81 HG22 ILE 81 5.835 -7.408 5.084 631 HG23 ILE 81 HG23 ILE 81 4.626 -6.326 5.773 632 HD11 ILE 81 HD11 ILE 81 3.679 -4.905 4.159 633 HD12 ILE 81 HD12 ILE 81 1.980 -4.732 3.723 634 HD13 ILE 81 HD13 ILE 81 3.145 -5.300 2.525 635 H GLY 82 HN GLY 82 3.193 -7.897 0.640 636 HA2 GLY 82 HA2 GLY 82 2.140 -10.395 0.150 637 HA3 GLY 82 HA1 GLY 82 0.954 -9.575 1.150 638 H GLU 83 HN GLU 83 -0.251 -10.101 -0.919 639 HA GLU 83 HA GLU 83 -0.154 -7.743 -2.661 640 HB2 GLU 83 HB2 GLU 83 -0.335 -10.623 -3.553 641 HB3 GLU 83 HB1 GLU 83 -0.738 -9.264 -4.590 642 HG2 GLU 83 HG2 GLU 83 1.577 -8.413 -4.242 643 HG3 GLU 83 HG1 GLU 83 1.940 -9.918 -3.401 644 H LEU 84 HN LEU 84 -2.237 -7.796 -4.099 645 HA LEU 84 HA LEU 84 -4.471 -8.047 -2.262 646 HB2 LEU 84 HB2 LEU 84 -3.878 -6.532 -4.691 647 HB3 LEU 84 HB1 LEU 84 -5.498 -7.199 -4.684 648 HG LEU 84 HG LEU 84 -5.518 -4.932 -3.824 649 HD11 LEU 84 HD11 LEU 84 -6.721 -5.285 -1.804 650 HD12 LEU 84 HD12 LEU 84 -5.911 -6.825 -1.520 651 HD13 LEU 84 HD13 LEU 84 -7.044 -6.658 -2.861 652 HD21 LEU 84 HD21 LEU 84 -3.256 -4.746 -3.028 653 HD22 LEU 84 HD22 LEU 84 -3.553 -5.963 -1.787 654 HD23 LEU 84 HD23 LEU 84 -4.365 -4.399 -1.701 655 H HIS 85 HN HIS 85 -6.458 -9.076 -2.886 656 HA HIS 85 HA HIS 85 -6.127 -11.719 -3.776 657 HB2 HIS 85 HB2 HIS 85 -8.432 -9.984 -3.057 658 HB3 HIS 85 HB1 HIS 85 -8.789 -11.378 -4.069 659 HD1 HIS 85 HD1 HIS 85 -9.970 -12.806 -2.368 660 HD2 HIS 85 HD2 HIS 85 -6.249 -11.482 -1.074 661 HE1 HIS 85 HE1 HIS 85 -9.516 -14.050 -0.233 662 HE2 HIS 85 HE2 HIS 85 -7.181 -13.368 0.427 663 HA PRO 86 HA PRO 86 -6.147 -11.345 -8.182 664 HB2 PRO 86 HB2 PRO 86 -7.449 -13.696 -8.817 665 HB3 PRO 86 HB1 PRO 86 -5.730 -13.576 -8.420 666 HG2 PRO 86 HG2 PRO 86 -8.008 -14.404 -6.689 667 HG3 PRO 86 HG1 PRO 86 -6.359 -15.055 -6.773 668 HD2 PRO 86 HD2 PRO 86 -7.130 -13.400 -4.795 669 HD3 PRO 86 HD1 PRO 86 -5.485 -13.368 -5.464 670 H ASP 87 HN ASP 87 -9.127 -12.091 -6.489 671 HA ASP 87 HA ASP 87 -10.885 -11.546 -8.658 672 HB2 ASP 87 HB2 ASP 87 -11.374 -11.558 -5.674 673 HB3 ASP 87 HB1 ASP 87 -12.640 -11.460 -6.893 674 H ASP 88 HN ASP 88 -9.531 -9.645 -6.034 675 HA ASP 88 HA ASP 88 -10.966 -7.244 -6.833 676 HB2 ASP 88 HB2 ASP 88 -8.826 -7.676 -4.727 677 HB3 ASP 88 HB1 ASP 88 -9.723 -6.182 -4.966 678 H ARG 89 HN ARG 89 -8.750 -8.806 -8.320 679 HA ARG 89 HA ARG 89 -6.945 -6.544 -8.819 680 HB2 ARG 89 HB2 ARG 89 -5.951 -8.658 -7.909 681 HB3 ARG 89 HB1 ARG 89 -6.450 -9.466 -9.386 682 HG2 ARG 89 HG2 ARG 89 -5.042 -7.883 -10.670 683 HG3 ARG 89 HG1 ARG 89 -4.465 -7.222 -9.137 684 HD2 ARG 89 HD2 ARG 89 -4.206 -10.095 -10.024 685 HD3 ARG 89 HD1 ARG 89 -2.917 -8.894 -10.071 686 HE ARG 89 HE ARG 89 -4.160 -9.477 -7.488 687 HH11 ARG 89 HH11 ARG 89 -1.430 -9.840 -9.676 688 HH12 ARG 89 HH12 ARG 89 -0.297 -10.336 -8.359 689 HH21 ARG 89 HH21 ARG 89 -2.752 -10.125 -5.792 690 HH22 ARG 89 HH22 ARG 89 -1.020 -10.487 -6.204 691 H SER 90 HN SER 90 -8.532 -9.285 -10.504 692 HA SER 90 HA SER 90 -8.510 -7.603 -12.926 693 HB2 SER 90 HB2 SER 90 -8.565 -10.584 -13.124 694 HB3 SER 90 HB1 SER 90 -7.880 -9.396 -14.234 695 HG SER 90 HG SER 90 -6.143 -9.135 -12.883 696 H LYS 91 HN LYS 91 -10.656 -8.281 -10.733 697 HA LYS 91 HA LYS 91 -12.756 -8.781 -12.726 698 HB2 LYS 91 HB2 LYS 91 -12.172 -10.375 -10.333 699 HB3 LYS 91 HB1 LYS 91 -13.857 -9.893 -10.479 700 HG2 LYS 91 HG2 LYS 91 -13.523 -10.767 -12.952 701 HG3 LYS 91 HG1 LYS 91 -12.245 -11.710 -12.188 702 HD2 LYS 91 HD2 LYS 91 -15.141 -11.658 -11.346 703 HD3 LYS 91 HD1 LYS 91 -14.358 -12.947 -12.262 704 HE2 LYS 91 HE2 LYS 91 -13.482 -12.068 -9.517 705 HE3 LYS 91 HE1 LYS 91 -14.614 -13.386 -9.806 706 HZ1 LYS 91 HZ1 LYS 91 -12.191 -13.986 -9.489 707 HZ2 LYS 91 HZ2 LYS 91 -11.926 -13.348 -11.038 708 HZ3 LYS 91 HZ3 LYS 91 -12.971 -14.660 -10.832 709 H LEU 92 HN LEU 92 -12.402 -7.969 -9.273 710 HA LEU 92 HA LEU 92 -13.264 -6.313 -7.988 711 HB2 LEU 92 HB2 LEU 92 -13.389 -5.042 -10.689 712 HB3 LEU 92 HB1 LEU 92 -14.185 -4.251 -9.343 713 HG LEU 92 HG LEU 92 -12.018 -3.271 -9.627 714 HD11 LEU 92 HD11 LEU 92 -11.102 -3.517 -7.445 715 HD12 LEU 92 HD12 LEU 92 -11.816 -5.119 -7.262 716 HD13 LEU 92 HD13 LEU 92 -12.853 -3.694 -7.310 717 HD21 LEU 92 HD21 LEU 92 -10.939 -6.078 -9.456 718 HD22 LEU 92 HD22 LEU 92 -9.946 -4.623 -9.386 719 HD23 LEU 92 HD23 LEU 92 -10.870 -4.991 -10.844 720 H SER 93 HN SER 93 -14.897 -8.497 -8.994 721 HA SER 93 HA SER 93 -17.550 -7.408 -9.355 722 HB2 SER 93 HB2 SER 93 -17.019 -10.308 -8.840 723 HB3 SER 93 HB1 SER 93 -18.186 -9.560 -9.934 724 HG SER 93 HG SER 93 -16.318 -8.880 -11.194 725 H LYS 94 HN LYS 94 -17.342 -6.273 -7.191 726 HA LYS 94 HA LYS 94 -18.584 -7.951 -5.151 727 HB2 LYS 94 HB2 LYS 94 -16.007 -6.442 -4.809 728 HB3 LYS 94 HB1 LYS 94 -17.063 -6.737 -3.432 729 HG2 LYS 94 HG2 LYS 94 -16.740 -9.029 -3.510 730 HG3 LYS 94 HG1 LYS 94 -16.211 -9.000 -5.192 731 HD2 LYS 94 HD2 LYS 94 -14.287 -9.421 -3.858 732 HD3 LYS 94 HD1 LYS 94 -14.170 -7.752 -4.421 733 HE2 LYS 94 HE2 LYS 94 -14.959 -6.943 -2.281 734 HE3 LYS 94 HE1 LYS 94 -15.208 -8.595 -1.716 735 HZ1 LYS 94 HZ1 LYS 94 -13.124 -7.562 -0.915 736 HZ2 LYS 94 HZ2 LYS 94 -12.571 -7.490 -2.525 737 HZ3 LYS 94 HZ3 LYS 94 -12.872 -8.988 -1.797 738 HA PRO 95 HA PRO 95 -21.111 -4.366 -4.735 739 HB2 PRO 95 HB2 PRO 95 -22.184 -4.785 -2.289 740 HB3 PRO 95 HB1 PRO 95 -22.622 -5.760 -3.698 741 HG2 PRO 95 HG2 PRO 95 -20.758 -6.416 -1.467 742 HG3 PRO 95 HG1 PRO 95 -21.937 -7.453 -2.294 743 HD2 PRO 95 HD2 PRO 95 -19.265 -7.491 -2.834 744 HD3 PRO 95 HD1 PRO 95 -20.516 -7.925 -4.013 745 H MET 96 HN MET 96 -20.603 -2.316 -4.284 746 HA MET 96 HA MET 96 -18.551 -1.711 -2.351 747 HB2 MET 96 HB2 MET 96 -18.746 -0.575 -4.582 748 HB3 MET 96 HB1 MET 96 -20.200 0.215 -3.990 749 HG2 MET 96 HG2 MET 96 -18.986 1.426 -2.355 750 HG3 MET 96 HG1 MET 96 -17.534 0.465 -2.631 751 HE1 MET 96 HE1 MET 96 -20.018 3.052 -4.073 752 HE2 MET 96 HE2 MET 96 -19.935 1.976 -5.469 753 HE3 MET 96 HE3 MET 96 -19.241 3.593 -5.560 754 H GLU 97 HN GLU 97 -21.700 -0.124 -2.853 755 HA GLU 97 HA GLU 97 -23.303 0.621 -1.444 756 HB2 GLU 97 HB2 GLU 97 -23.339 -1.763 -0.731 757 HB3 GLU 97 HB1 GLU 97 -22.196 -1.366 0.544 758 HG2 GLU 97 HG2 GLU 97 -23.840 0.193 1.501 759 HG3 GLU 97 HG1 GLU 97 -24.987 -0.277 0.246 760 H THR 98 HN THR 98 -22.900 2.686 -0.960 761 HA THR 98 HA THR 98 -21.912 3.342 1.623 762 HB THR 98 HB THR 98 -19.759 2.953 0.389 763 HG1 THR 98 HG1 THR 98 -19.364 4.280 2.021 764 HG21 THR 98 HG21 THR 98 -20.657 5.370 -1.180 765 HG22 THR 98 HG22 THR 98 -20.377 3.750 -1.815 766 HG23 THR 98 HG23 THR 98 -19.026 4.704 -1.202 767 H LEU 99 HN LEU 99 -21.439 5.943 1.514 768 HA LEU 99 HA LEU 99 -22.389 7.995 1.379 769 HB2 LEU 99 HB2 LEU 99 -23.160 6.936 -1.334 770 HB3 LEU 99 HB1 LEU 99 -23.497 8.580 -0.825 771 HG LEU 99 HG LEU 99 -20.717 7.408 -0.912 772 HD11 LEU 99 HD11 LEU 99 -21.669 7.411 -3.149 773 HD12 LEU 99 HD12 LEU 99 -20.430 8.657 -2.991 774 HD13 LEU 99 HD13 LEU 99 -22.137 9.099 -2.960 775 HD21 LEU 99 HD21 LEU 99 -20.836 9.266 0.571 776 HD22 LEU 99 HD22 LEU 99 -21.804 10.196 -0.576 777 HD23 LEU 99 HD23 LEU 99 -20.113 9.842 -0.935 778 H ILE 100 HN ILE 100 -23.888 5.984 2.712 779 HA ILE 100 HA ILE 100 -26.664 6.647 2.037 780 HB ILE 100 HB ILE 100 -25.562 4.543 3.904 781 HG12 ILE 100 HG12 ILE 100 -27.017 4.191 1.277 782 HG13 ILE 100 HG11 ILE 100 -25.262 4.209 1.415 783 HG21 ILE 100 HG21 ILE 100 -28.403 5.181 3.129 784 HG22 ILE 100 HG22 ILE 100 -27.687 5.295 4.735 785 HG23 ILE 100 HG23 ILE 100 -27.902 3.718 3.978 786 HD11 ILE 100 HD11 ILE 100 -26.132 1.942 1.317 787 HD12 ILE 100 HD12 ILE 100 -27.108 2.246 2.752 788 HD13 ILE 100 HD13 ILE 100 -25.349 2.257 2.865 789 H THR 101 HN THR 101 -24.392 6.655 4.754 790 HA THR 101 HA THR 101 -26.213 7.897 6.564 791 HB THR 101 HB THR 101 -23.351 8.203 7.142 792 HG1 THR 101 HG1 THR 101 -23.491 5.724 7.578 793 HG21 THR 101 HG21 THR 101 -24.022 7.126 9.243 794 HG22 THR 101 HG22 THR 101 -25.621 6.812 8.569 795 HG23 THR 101 HG23 THR 101 -25.089 8.471 8.843 796 H THR 102 HN THR 102 -26.607 10.000 6.896 797 HA THR 102 HA THR 102 -25.461 11.960 5.139 798 HB THR 102 HB THR 102 -27.196 12.584 7.516 799 HG1 THR 102 HG1 THR 102 -27.991 11.501 4.993 800 HG21 THR 102 HG21 THR 102 -26.307 14.467 6.218 801 HG22 THR 102 HG22 THR 102 -28.058 14.341 6.046 802 HG23 THR 102 HG23 THR 102 -27.003 13.785 4.747 803 H VAL 103 HN VAL 103 -23.450 12.645 5.529 804 HA VAL 103 HA VAL 103 -22.617 13.093 8.314 805 HB VAL 103 HB VAL 103 -20.298 13.070 7.457 806 HG11 VAL 103 HG11 VAL 103 -21.940 10.641 6.749 807 HG12 VAL 103 HG12 VAL 103 -21.249 11.020 8.327 808 HG13 VAL 103 HG13 VAL 103 -20.189 10.659 6.965 809 HG21 VAL 103 HG21 VAL 103 -19.854 12.302 5.166 810 HG22 VAL 103 HG22 VAL 103 -20.726 13.834 5.183 811 HG23 VAL 103 HG23 VAL 103 -21.584 12.336 4.826 812 H ASP 104 HN ASP 104 -24.131 14.870 6.294 813 HA ASP 104 HA ASP 104 -22.502 17.255 6.791 814 HB2 ASP 104 HB2 ASP 104 -22.951 18.154 4.601 815 HB3 ASP 104 HB1 ASP 104 -22.249 16.552 4.392 816 HHB HEM 400 HB HEM 400 11.274 4.954 -1.886 817 HHC HEM 400 HC HEM 400 4.969 5.104 -2.392 818 HHD HEM 400 HD HEM 400 5.298 10.936 -4.808 819 HMA HEM 400 HMA1 HEM 400 13.590 5.381 -3.034 820 HMAA HEM 400 HMA2 HEM 400 13.459 6.064 -1.414 821 HMAB HEM 400 HMA3 HEM 400 14.504 6.825 -2.612 822 HAA HEM 400 HAA1 HEM 400 14.436 9.155 -3.086 823 HAAA HEM 400 HAA2 HEM 400 13.526 10.051 -4.292 824 HBA HEM 400 HBA1 HEM 400 13.811 8.040 -5.828 825 HBAA HEM 400 HBA2 HEM 400 14.956 7.410 -4.648 826 HMB HEM 400 HMB1 HEM 400 9.831 2.301 -1.864 827 HMBA HEM 400 HMB2 HEM 400 8.982 2.463 -0.324 828 HMBB HEM 400 HMB3 HEM 400 10.453 3.388 -0.636 829 HAB HEM 400 HAB HEM 400 6.714 2.076 -1.535 830 HBB HEM 400 HBB1 HEM 400 4.862 4.381 -0.522 831 HBBA HEM 400 HBB2 HEM 400 4.553 2.484 -0.498 832 HMC HEM 400 HMC1 HEM 400 1.999 7.113 -3.632 833 HMCA HEM 400 HMC2 HEM 400 2.680 6.497 -2.122 834 HMCB HEM 400 HMC3 HEM 400 2.958 5.646 -3.646 835 HAC HEM 400 HAC HEM 400 3.097 10.093 -5.168 836 HBC HEM 400 HBC1 HEM 400 1.664 8.988 -2.613 837 HBCA HEM 400 HBC2 HEM 400 1.005 10.230 -3.923 838 HMD HEM 400 HMD1 HEM 400 6.233 12.543 -6.263 839 HMDA HEM 400 HMD2 HEM 400 7.633 13.610 -6.160 840 HMDB HEM 400 HMD3 HEM 400 6.542 13.428 -4.783 841 HAD HEM 400 HAD1 HEM 400 9.644 13.746 -5.420 842 HADA HEM 400 HAD2 HEM 400 10.987 12.784 -4.831 843 HBD HEM 400 HBD1 HEM 400 9.850 12.875 -7.622 844 HBDA HEM 400 HBD2 HEM 400 10.903 11.564 -7.087 845 HHA HEM 400 HA HEM 400 11.625 10.670 -4.587 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 21.388 -12.268 17.046 2 H2 MET 1 HT2 MET 1 22.475 -12.741 18.242 3 H3 MET 1 HT3 MET 1 21.167 -11.748 18.639 4 HA MET 1 HA MET 1 21.139 -14.595 17.860 5 HB2 MET 1 HB2 MET 1 20.318 -13.048 20.305 6 HB3 MET 1 HB1 MET 1 19.710 -14.667 19.994 7 HG2 MET 1 HG2 MET 1 21.999 -15.518 19.955 8 HG3 MET 1 HG1 MET 1 22.602 -13.893 20.281 9 HE1 MET 1 HE1 MET 1 23.480 -16.328 22.146 10 HE2 MET 1 HE2 MET 1 23.341 -15.511 23.701 11 HE3 MET 1 HE3 MET 1 23.970 -14.643 22.300 12 H ALA 2 HN ALA 2 19.412 -11.616 17.688 13 HA ALA 2 HA ALA 2 16.974 -13.045 16.883 14 HB1 ALA 2 HB1 ALA 2 16.584 -11.534 18.727 15 HB2 ALA 2 HB2 ALA 2 15.798 -10.909 17.280 16 HB3 ALA 2 HB3 ALA 2 17.313 -10.204 17.831 17 H ALA 3 HN ALA 3 17.462 -13.465 14.764 18 HA ALA 3 HA ALA 3 17.303 -11.180 12.977 19 HB1 ALA 3 HB1 ALA 3 19.695 -11.435 13.223 20 HB2 ALA 3 HB2 ALA 3 19.206 -11.958 11.610 21 HB3 ALA 3 HB3 ALA 3 19.579 -13.155 12.851 22 H GLN 4 HN GLN 4 15.930 -11.621 11.380 23 HA GLN 4 HA GLN 4 15.715 -14.327 10.350 24 HB2 GLN 4 HB2 GLN 4 13.266 -14.380 10.610 25 HB3 GLN 4 HB1 GLN 4 14.102 -14.350 12.156 26 HG2 GLN 4 HG2 GLN 4 13.640 -11.951 12.350 27 HG3 GLN 4 HG1 GLN 4 12.768 -12.005 10.818 28 HE21 GLN 4 HE21 GLN 4 10.806 -11.415 11.662 29 HE22 GLN 4 HE22 GLN 4 9.891 -12.420 12.730 30 H SER 5 HN SER 5 14.852 -14.449 8.293 31 HA SER 5 HA SER 5 14.195 -11.902 6.978 32 HB2 SER 5 HB2 SER 5 15.852 -14.009 5.607 33 HB3 SER 5 HB1 SER 5 15.665 -12.305 5.182 34 HG SER 5 HG SER 5 16.765 -12.988 7.674 35 H ASP 6 HN ASP 6 12.109 -13.162 7.683 36 HA ASP 6 HA ASP 6 11.362 -15.139 5.656 37 HB2 ASP 6 HB2 ASP 6 10.119 -14.360 8.298 38 HB3 ASP 6 HB1 ASP 6 9.315 -15.422 7.145 39 H LYS 7 HN LYS 7 10.540 -14.294 3.870 40 HA LYS 7 HA LYS 7 8.677 -12.028 4.129 41 HB2 LYS 7 HB2 LYS 7 10.508 -12.740 1.828 42 HB3 LYS 7 HB1 LYS 7 9.290 -11.475 1.769 43 HG2 LYS 7 HG2 LYS 7 11.597 -11.521 3.706 44 HG3 LYS 7 HG1 LYS 7 11.585 -10.644 2.174 45 HD2 LYS 7 HD2 LYS 7 9.601 -9.387 2.953 46 HD3 LYS 7 HD1 LYS 7 9.727 -10.206 4.513 47 HE2 LYS 7 HE2 LYS 7 11.984 -9.267 4.797 48 HE3 LYS 7 HE1 LYS 7 11.813 -8.422 3.259 49 HZ1 LYS 7 HZ1 LYS 7 9.813 -7.322 4.274 50 HZ2 LYS 7 HZ2 LYS 7 11.303 -6.872 4.924 51 HZ3 LYS 7 HZ3 LYS 7 10.306 -7.953 5.764 52 H ASP 8 HN ASP 8 6.786 -13.160 4.280 53 HA ASP 8 HA ASP 8 6.172 -15.099 2.161 54 HB2 ASP 8 HB2 ASP 8 5.875 -15.828 4.514 55 HB3 ASP 8 HB1 ASP 8 4.697 -14.539 4.745 56 H VAL 9 HN VAL 9 4.489 -14.777 0.757 57 HA VAL 9 HA VAL 9 3.350 -12.086 0.759 58 HB VAL 9 HB VAL 9 4.396 -12.610 -1.317 59 HG11 VAL 9 HG11 VAL 9 2.699 -15.096 -1.444 60 HG12 VAL 9 HG12 VAL 9 4.437 -15.040 -1.145 61 HG13 VAL 9 HG13 VAL 9 3.791 -14.523 -2.705 62 HG21 VAL 9 HG21 VAL 9 2.445 -12.580 -2.908 63 HG22 VAL 9 HG22 VAL 9 2.433 -11.340 -1.655 64 HG23 VAL 9 HG23 VAL 9 1.399 -12.762 -1.498 65 H LYS 10 HN LYS 10 1.531 -11.940 1.872 66 HA LYS 10 HA LYS 10 -0.390 -14.155 1.823 67 HB2 LYS 10 HB2 LYS 10 0.450 -13.038 3.984 68 HB3 LYS 10 HB1 LYS 10 -0.565 -11.676 3.528 69 HG2 LYS 10 HG2 LYS 10 -2.428 -13.490 3.344 70 HG3 LYS 10 HG1 LYS 10 -1.349 -14.424 4.381 71 HD2 LYS 10 HD2 LYS 10 -2.484 -11.688 4.974 72 HD3 LYS 10 HD1 LYS 10 -2.977 -13.208 5.721 73 HE2 LYS 10 HE2 LYS 10 -0.200 -12.045 5.889 74 HE3 LYS 10 HE1 LYS 10 -1.443 -11.835 7.119 75 HZ1 LYS 10 HZ1 LYS 10 -0.371 -14.453 6.234 76 HZ2 LYS 10 HZ2 LYS 10 -1.473 -14.193 7.489 77 HZ3 LYS 10 HZ3 LYS 10 0.114 -13.632 7.629 78 H TYR 11 HN TYR 11 -2.503 -13.875 1.105 79 HA TYR 11 HA TYR 11 -2.901 -11.580 -0.643 80 HB2 TYR 11 HB2 TYR 11 -4.365 -14.196 -0.309 81 HB3 TYR 11 HB1 TYR 11 -5.014 -12.881 -1.289 82 HD1 TYR 11 HD1 TYR 11 -3.399 -11.939 -3.120 83 HD2 TYR 11 HD2 TYR 11 -2.957 -15.751 -1.291 84 HE1 TYR 11 HE1 TYR 11 -2.029 -12.686 -5.019 85 HE2 TYR 11 HE2 TYR 11 -1.589 -16.511 -3.188 86 HH TYR 11 HH TYR 11 -0.426 -14.338 -5.605 87 H TYR 12 HN TYR 12 -3.762 -9.827 0.190 88 HA TYR 12 HA TYR 12 -5.538 -10.050 2.508 89 HB2 TYR 12 HB2 TYR 12 -4.187 -7.641 1.272 90 HB3 TYR 12 HB1 TYR 12 -5.209 -7.595 2.701 91 HD1 TYR 12 HD2 TYR 12 -4.424 -8.571 4.822 92 HD2 TYR 12 HD1 TYR 12 -1.924 -8.442 1.379 93 HE1 TYR 12 HE2 TYR 12 -2.459 -9.000 6.236 94 HE2 TYR 12 HE1 TYR 12 0.045 -8.866 2.788 95 HH TYR 12 HH TYR 12 -0.269 -9.570 6.224 96 H THR 13 HN THR 13 -7.504 -8.853 2.601 97 HA THR 13 HA THR 13 -8.912 -8.828 0.069 98 HB THR 13 HB THR 13 -10.613 -7.928 2.130 99 HG1 THR 13 HG1 THR 13 -10.101 -9.089 3.876 100 HG21 THR 13 HG21 THR 13 -11.660 -10.139 1.845 101 HG22 THR 13 HG22 THR 13 -10.237 -10.695 0.970 102 HG23 THR 13 HG23 THR 13 -11.244 -9.418 0.293 103 H LEU 14 HN LEU 14 -9.935 -6.990 -0.792 104 HA LEU 14 HA LEU 14 -8.520 -4.587 -0.659 105 HB2 LEU 14 HB2 LEU 14 -9.960 -5.390 -2.542 106 HB3 LEU 14 HB1 LEU 14 -11.366 -4.943 -1.594 107 HG LEU 14 HG LEU 14 -10.466 -2.581 -1.575 108 HD11 LEU 14 HD11 LEU 14 -8.845 -1.975 -3.275 109 HD12 LEU 14 HD12 LEU 14 -8.669 -3.669 -3.735 110 HD13 LEU 14 HD13 LEU 14 -8.143 -3.129 -2.141 111 HD21 LEU 14 HD21 LEU 14 -12.143 -2.524 -3.043 112 HD22 LEU 14 HD22 LEU 14 -11.693 -4.077 -3.747 113 HD23 LEU 14 HD23 LEU 14 -10.895 -2.598 -4.288 114 H GLU 15 HN GLU 15 -11.498 -5.574 0.954 115 HA GLU 15 HA GLU 15 -12.014 -2.984 2.076 116 HB2 GLU 15 HB2 GLU 15 -13.662 -4.300 3.517 117 HB3 GLU 15 HB1 GLU 15 -13.929 -4.312 1.779 118 HG2 GLU 15 HG2 GLU 15 -12.365 -6.513 3.053 119 HG3 GLU 15 HG1 GLU 15 -14.125 -6.508 3.165 120 H GLU 16 HN GLU 16 -9.751 -5.318 2.825 121 HA GLU 16 HA GLU 16 -9.780 -4.770 5.689 122 HB2 GLU 16 HB2 GLU 16 -9.391 -7.095 4.701 123 HB3 GLU 16 HB1 GLU 16 -7.808 -6.507 4.215 124 HG2 GLU 16 HG2 GLU 16 -7.781 -7.761 6.335 125 HG3 GLU 16 HG1 GLU 16 -7.189 -6.107 6.493 126 H ILE 17 HN ILE 17 -7.599 -4.460 2.908 127 HA ILE 17 HA ILE 17 -5.567 -3.138 4.381 128 HB ILE 17 HB ILE 17 -4.699 -2.472 2.084 129 HG12 ILE 17 HG12 ILE 17 -5.802 -4.234 0.380 130 HG13 ILE 17 HG11 ILE 17 -7.224 -3.857 1.346 131 HG21 ILE 17 HG21 ILE 17 -3.869 -4.699 1.644 132 HG22 ILE 17 HG22 ILE 17 -5.160 -5.399 2.621 133 HG23 ILE 17 HG23 ILE 17 -3.919 -4.403 3.383 134 HD11 ILE 17 HD11 ILE 17 -6.634 -2.496 -0.810 135 HD12 ILE 17 HD12 ILE 17 -5.589 -1.615 0.304 136 HD13 ILE 17 HD13 ILE 17 -7.321 -1.705 0.610 137 H LYS 18 HN LYS 18 -8.357 -1.963 2.582 138 HA LYS 18 HA LYS 18 -7.467 0.766 2.627 139 HB2 LYS 18 HB2 LYS 18 -9.584 1.338 1.676 140 HB3 LYS 18 HB1 LYS 18 -9.020 -0.132 0.895 141 HG2 LYS 18 HG2 LYS 18 -10.603 -1.458 1.986 142 HG3 LYS 18 HG1 LYS 18 -10.926 -0.227 3.206 143 HD2 LYS 18 HD2 LYS 18 -12.766 -0.362 1.610 144 HD3 LYS 18 HD1 LYS 18 -11.954 1.198 1.495 145 HE2 LYS 18 HE2 LYS 18 -10.830 -0.815 -0.289 146 HE3 LYS 18 HE1 LYS 18 -12.532 -0.484 -0.606 147 HZ1 LYS 18 HZ1 LYS 18 -10.415 1.591 -0.429 148 HZ2 LYS 18 HZ2 LYS 18 -12.032 1.838 -0.860 149 HZ3 LYS 18 HZ3 LYS 18 -11.014 0.949 -1.873 150 H LYS 19 HN LYS 19 -8.543 -1.221 5.020 151 HA LYS 19 HA LYS 19 -9.714 1.019 6.528 152 HB2 LYS 19 HB2 LYS 19 -10.875 -1.389 6.077 153 HB3 LYS 19 HB1 LYS 19 -10.032 -1.718 7.586 154 HG2 LYS 19 HG2 LYS 19 -12.041 -0.973 8.375 155 HG3 LYS 19 HG1 LYS 19 -11.133 0.537 8.331 156 HD2 LYS 19 HD2 LYS 19 -13.172 1.083 7.333 157 HD3 LYS 19 HD1 LYS 19 -12.095 0.807 5.964 158 HE2 LYS 19 HE2 LYS 19 -14.248 -0.255 5.589 159 HE3 LYS 19 HE1 LYS 19 -12.976 -1.468 5.734 160 HZ1 LYS 19 HZ1 LYS 19 -14.998 -2.053 6.964 161 HZ2 LYS 19 HZ2 LYS 19 -14.816 -0.673 7.924 162 HZ3 LYS 19 HZ3 LYS 19 -13.660 -1.903 7.987 163 H HIS 20 HN HIS 20 -6.915 -0.527 6.082 164 HA HIS 20 HA HIS 20 -6.163 -0.651 8.908 165 HB2 HIS 20 HB2 HIS 20 -5.189 -1.921 6.436 166 HB3 HIS 20 HB1 HIS 20 -3.916 -1.386 7.528 167 HD1 HIS 20 HD1 HIS 20 -7.012 -3.597 7.554 168 HD2 HIS 20 HD2 HIS 20 -3.454 -3.039 9.638 169 HE1 HIS 20 HE1 HIS 20 -6.883 -5.495 9.197 170 HE2 HIS 20 HE2 HIS 20 -4.819 -5.025 10.566 171 H ASN 21 HN ASN 21 -6.237 1.561 6.474 172 HA ASN 21 HA ASN 21 -3.689 2.819 6.855 173 HB2 ASN 21 HB2 ASN 21 -4.787 4.713 5.558 174 HB3 ASN 21 HB1 ASN 21 -4.663 3.170 4.727 175 HD21 ASN 21 HD21 ASN 21 -6.332 4.472 3.466 176 HD22 ASN 21 HD22 ASN 21 -7.987 4.212 3.902 177 H HIS 22 HN HIS 22 -3.983 2.772 9.256 178 HA HIS 22 HA HIS 22 -5.604 5.017 10.241 179 HB2 HIS 22 HB2 HIS 22 -4.399 2.619 11.613 180 HB3 HIS 22 HB1 HIS 22 -5.007 4.003 12.518 181 HD1 HIS 22 HD1 HIS 22 -7.623 4.527 12.181 182 HD2 HIS 22 HD2 HIS 22 -6.301 0.818 10.849 183 HE1 HIS 22 HE1 HIS 22 -9.693 3.126 11.926 184 HE2 HIS 22 HE2 HIS 22 -8.881 0.928 10.998 185 H SER 23 HN SER 23 -2.616 3.631 11.556 186 HA SER 23 HA SER 23 -1.183 6.113 11.074 187 HB2 SER 23 HB2 SER 23 -0.554 6.094 13.593 188 HB3 SER 23 HB1 SER 23 -2.113 6.768 13.121 189 HG SER 23 HG SER 23 -3.054 5.268 14.243 190 H LYS 24 HN LYS 24 -1.022 3.168 13.040 191 HA LYS 24 HA LYS 24 1.758 2.776 12.187 192 HB2 LYS 24 HB2 LYS 24 1.764 1.092 14.098 193 HB3 LYS 24 HB1 LYS 24 1.606 2.784 14.546 194 HG2 LYS 24 HG2 LYS 24 -0.867 2.434 14.686 195 HG3 LYS 24 HG1 LYS 24 -0.568 0.710 14.463 196 HD2 LYS 24 HD2 LYS 24 0.848 0.713 16.475 197 HD3 LYS 24 HD1 LYS 24 0.507 2.427 16.703 198 HE2 LYS 24 HE2 LYS 24 -1.500 0.178 16.767 199 HE3 LYS 24 HE1 LYS 24 -0.894 1.078 18.156 200 HZ1 LYS 24 HZ1 LYS 24 -2.584 2.108 15.948 201 HZ2 LYS 24 HZ2 LYS 24 -1.851 3.104 17.107 202 HZ3 LYS 24 HZ3 LYS 24 -3.001 1.958 17.583 203 H SER 25 HN SER 25 -0.466 2.201 10.471 204 HA SER 25 HA SER 25 0.228 -0.509 9.767 205 HB2 SER 25 HB2 SER 25 -2.512 -0.704 9.557 206 HB3 SER 25 HB1 SER 25 -1.549 -1.402 10.860 207 HG SER 25 HG SER 25 -2.761 -0.168 12.071 208 H THR 26 HN THR 26 0.331 2.305 8.773 209 HA THR 26 HA THR 26 -1.509 2.577 6.612 210 HB THR 26 HB THR 26 1.136 3.984 6.771 211 HG1 THR 26 HG1 THR 26 0.525 4.452 8.769 212 HG21 THR 26 HG21 THR 26 -0.360 4.410 4.849 213 HG22 THR 26 HG22 THR 26 -0.129 5.842 5.850 214 HG23 THR 26 HG23 THR 26 -1.622 4.914 5.972 215 H TRP 27 HN TRP 27 -1.452 1.049 5.065 216 HA TRP 27 HA TRP 27 1.146 0.325 3.893 217 HB2 TRP 27 HB2 TRP 27 -1.524 -1.098 3.813 218 HB3 TRP 27 HB1 TRP 27 -0.096 -1.627 2.933 219 HD1 TRP 27 HD1 TRP 27 1.671 -0.715 5.739 220 HE1 TRP 27 HE1 TRP 27 1.823 -2.525 7.550 221 HE3 TRP 27 HE3 TRP 27 -2.229 -3.672 4.253 222 HZ2 TRP 27 HZ2 TRP 27 0.469 -4.896 8.262 223 HZ3 TRP 27 HZ3 TRP 27 -2.735 -5.695 5.560 224 HH2 TRP 27 HH2 TRP 27 -1.413 -6.293 7.524 225 H LEU 28 HN LEU 28 1.422 0.386 1.648 226 HA LEU 28 HA LEU 28 -0.553 2.049 0.215 227 HB2 LEU 28 HB2 LEU 28 2.434 1.835 -0.174 228 HB3 LEU 28 HB1 LEU 28 1.365 2.708 -1.248 229 HG LEU 28 HG LEU 28 1.915 3.388 1.641 230 HD11 LEU 28 HD11 LEU 28 3.709 3.821 -0.107 231 HD12 LEU 28 HD12 LEU 28 3.164 5.213 0.830 232 HD13 LEU 28 HD13 LEU 28 2.584 4.980 -0.817 233 HD21 LEU 28 HD21 LEU 28 0.602 5.415 1.178 234 HD22 LEU 28 HD22 LEU 28 -0.375 3.951 1.052 235 HD23 LEU 28 HD23 LEU 28 0.182 4.768 -0.409 236 H ILE 29 HN ILE 29 -1.111 1.479 -1.882 237 HA ILE 29 HA ILE 29 -0.401 -1.270 -2.625 238 HB ILE 29 HB ILE 29 -2.644 0.447 -3.707 239 HG12 ILE 29 HG12 ILE 29 -2.830 -1.901 -1.818 240 HG13 ILE 29 HG11 ILE 29 -2.919 -0.217 -1.308 241 HG21 ILE 29 HG21 ILE 29 -3.456 -1.650 -4.694 242 HG22 ILE 29 HG22 ILE 29 -2.012 -2.473 -4.095 243 HG23 ILE 29 HG23 ILE 29 -1.863 -1.201 -5.309 244 HD11 ILE 29 HD11 ILE 29 -4.838 -1.694 -3.087 245 HD12 ILE 29 HD12 ILE 29 -4.884 0.052 -2.821 246 HD13 ILE 29 HD13 ILE 29 -5.133 -1.054 -1.471 247 H LEU 30 HN LEU 30 1.213 -1.408 -4.012 248 HA LEU 30 HA LEU 30 1.368 0.581 -6.179 249 HB2 LEU 30 HB2 LEU 30 3.649 -0.693 -4.664 250 HB3 LEU 30 HB1 LEU 30 3.849 0.233 -6.138 251 HG LEU 30 HG LEU 30 2.673 1.355 -3.597 252 HD11 LEU 30 HD11 LEU 30 4.827 2.472 -3.290 253 HD12 LEU 30 HD12 LEU 30 5.479 1.598 -4.677 254 HD13 LEU 30 HD13 LEU 30 4.993 0.716 -3.227 255 HD21 LEU 30 HD21 LEU 30 3.606 2.637 -6.162 256 HD22 LEU 30 HD22 LEU 30 3.128 3.513 -4.710 257 HD23 LEU 30 HD23 LEU 30 1.946 2.533 -5.576 258 H HIS 31 HN HIS 31 1.053 -0.316 -8.078 259 HA HIS 31 HA HIS 31 0.928 -1.820 -9.771 260 HB2 HIS 31 HB2 HIS 31 3.269 -3.018 -8.292 261 HB3 HIS 31 HB1 HIS 31 2.669 -3.680 -9.807 262 HD1 HIS 31 HD1 HIS 31 2.809 -2.020 -11.919 263 HD2 HIS 31 HD2 HIS 31 4.962 -0.889 -8.546 264 HE1 HIS 31 HE1 HIS 31 4.459 -0.303 -12.717 265 HE2 HIS 31 HE2 HIS 31 5.852 0.249 -10.694 266 H HIS 32 HN HIS 32 -0.778 -2.105 -7.547 267 HA HIS 32 HA HIS 32 -2.448 -3.457 -6.828 268 HB2 HIS 32 HB2 HIS 32 -1.336 -5.438 -8.826 269 HB3 HIS 32 HB1 HIS 32 -2.860 -5.626 -7.963 270 HD1 HIS 32 HD1 HIS 32 -1.840 -4.830 -11.160 271 HD2 HIS 32 HD2 HIS 32 -4.376 -2.902 -8.490 272 HE1 HIS 32 HE1 HIS 32 -3.277 -3.317 -12.563 273 HE2 HIS 32 HE2 HIS 32 -4.906 -2.283 -10.944 274 H LYS 33 HN LYS 33 0.402 -3.563 -5.783 275 HA LYS 33 HA LYS 33 0.072 -6.037 -4.219 276 HB2 LYS 33 HB2 LYS 33 2.690 -4.670 -4.873 277 HB3 LYS 33 HB1 LYS 33 2.481 -6.199 -4.027 278 HG2 LYS 33 HG2 LYS 33 1.387 -7.068 -6.129 279 HG3 LYS 33 HG1 LYS 33 1.954 -5.597 -6.921 280 HD2 LYS 33 HD2 LYS 33 4.248 -6.160 -6.399 281 HD3 LYS 33 HD1 LYS 33 3.719 -7.594 -5.512 282 HE2 LYS 33 HE2 LYS 33 2.501 -7.876 -7.962 283 HE3 LYS 33 HE1 LYS 33 4.071 -7.187 -8.376 284 HZ1 LYS 33 HZ1 LYS 33 3.595 -9.635 -6.759 285 HZ2 LYS 33 HZ2 LYS 33 5.118 -8.955 -7.078 286 HZ3 LYS 33 HZ3 LYS 33 4.192 -9.574 -8.344 287 H VAL 34 HN VAL 34 0.641 -5.916 -1.982 288 HA VAL 34 HA VAL 34 0.196 -3.228 -0.919 289 HB VAL 34 HB VAL 34 0.227 -5.752 0.723 290 HG11 VAL 34 HG11 VAL 34 -1.272 -4.483 2.171 291 HG12 VAL 34 HG12 VAL 34 -1.201 -3.119 1.056 292 HG13 VAL 34 HG13 VAL 34 0.251 -3.627 1.917 293 HG21 VAL 34 HG21 VAL 34 -1.313 -6.178 -1.101 294 HG22 VAL 34 HG22 VAL 34 -2.111 -4.630 -0.822 295 HG23 VAL 34 HG23 VAL 34 -2.207 -5.905 0.393 296 H TYR 35 HN TYR 35 1.819 -2.079 -0.177 297 HA TYR 35 HA TYR 35 4.239 -3.475 0.759 298 HB2 TYR 35 HB2 TYR 35 3.962 -0.769 -0.568 299 HB3 TYR 35 HB1 TYR 35 5.453 -1.365 0.155 300 HD1 TYR 35 HD1 TYR 35 3.103 -1.742 -2.640 301 HD2 TYR 35 HD2 TYR 35 6.770 -3.072 -0.949 302 HE1 TYR 35 HE1 TYR 35 3.690 -2.820 -4.768 303 HE2 TYR 35 HE2 TYR 35 7.367 -4.151 -3.075 304 HH TYR 35 HH TYR 35 6.095 -5.080 -5.084 305 H ASP 36 HN ASP 36 4.831 -3.160 2.808 306 HA ASP 36 HA ASP 36 3.320 -1.242 4.412 307 HB2 ASP 36 HB2 ASP 36 3.324 -3.361 5.449 308 HB3 ASP 36 HB1 ASP 36 5.031 -3.623 5.104 309 H LEU 37 HN LEU 37 4.129 0.664 4.760 310 HA LEU 37 HA LEU 37 6.941 0.981 5.404 311 HB2 LEU 37 HB2 LEU 37 7.267 2.805 3.807 312 HB3 LEU 37 HB1 LEU 37 6.916 1.298 2.988 313 HG LEU 37 HG LEU 37 4.566 2.995 3.505 314 HD11 LEU 37 HD11 LEU 37 6.777 3.857 1.650 315 HD12 LEU 37 HD12 LEU 37 6.093 4.760 3.003 316 HD13 LEU 37 HD13 LEU 37 5.121 4.457 1.562 317 HD21 LEU 37 HD21 LEU 37 4.003 2.290 1.256 318 HD22 LEU 37 HD22 LEU 37 4.517 0.899 2.205 319 HD23 LEU 37 HD23 LEU 37 5.617 1.620 1.035 320 H THR 38 HN THR 38 4.421 1.106 6.793 321 HA THR 38 HA THR 38 3.487 3.716 7.175 322 HB THR 38 HB THR 38 2.410 1.534 7.935 323 HG1 THR 38 HG1 THR 38 2.519 3.659 9.838 324 HG21 THR 38 HG21 THR 38 4.208 1.981 10.315 325 HG22 THR 38 HG22 THR 38 4.273 0.615 9.207 326 HG23 THR 38 HG23 THR 38 2.867 0.841 10.245 327 H LYS 39 HN LYS 39 6.389 2.213 8.273 328 HA LYS 39 HA LYS 39 6.804 4.321 10.260 329 HB2 LYS 39 HB2 LYS 39 7.971 1.613 9.828 330 HB3 LYS 39 HB1 LYS 39 8.977 2.830 10.603 331 HG2 LYS 39 HG2 LYS 39 6.242 2.007 11.550 332 HG3 LYS 39 HG1 LYS 39 7.766 1.405 12.206 333 HD2 LYS 39 HD2 LYS 39 8.359 3.513 13.057 334 HD3 LYS 39 HD1 LYS 39 7.145 4.341 12.090 335 HE2 LYS 39 HE2 LYS 39 5.428 3.004 13.432 336 HE3 LYS 39 HE1 LYS 39 6.759 2.647 14.530 337 HZ1 LYS 39 HZ1 LYS 39 5.472 4.590 15.231 338 HZ2 LYS 39 HZ2 LYS 39 5.867 5.376 13.785 339 HZ3 LYS 39 HZ3 LYS 39 7.082 4.993 14.895 340 H PHE 40 HN PHE 40 7.272 3.939 7.072 341 HA PHE 40 HA PHE 40 9.857 5.347 7.083 342 HB2 PHE 40 HB2 PHE 40 8.518 3.664 4.973 343 HB3 PHE 40 HB1 PHE 40 9.890 4.706 4.617 344 HD1 PHE 40 HD1 PHE 40 8.791 1.748 6.520 345 HD2 PHE 40 HD2 PHE 40 12.092 4.083 5.204 346 HE1 PHE 40 HE1 PHE 40 10.327 -0.043 7.223 347 HE2 PHE 40 HE2 PHE 40 13.635 2.299 5.898 348 HZ PHE 40 HZ PHE 40 12.753 0.233 6.908 349 H LEU 41 HN LEU 41 6.615 5.919 6.865 350 HA LEU 41 HA LEU 41 6.325 7.688 4.716 351 HB2 LEU 41 HB2 LEU 41 4.983 7.976 7.406 352 HB3 LEU 41 HB1 LEU 41 4.397 8.565 5.865 353 HG LEU 41 HG LEU 41 4.672 5.643 6.567 354 HD11 LEU 41 HD11 LEU 41 3.021 6.783 7.980 355 HD12 LEU 41 HD12 LEU 41 2.265 5.656 6.854 356 HD13 LEU 41 HD13 LEU 41 2.217 7.387 6.532 357 HD21 LEU 41 HD21 LEU 41 3.290 7.036 4.277 358 HD22 LEU 41 HD22 LEU 41 3.271 5.303 4.593 359 HD23 LEU 41 HD23 LEU 41 4.782 6.106 4.171 360 H GLU 42 HN GLU 42 7.330 8.232 8.038 361 HA GLU 42 HA GLU 42 7.738 11.056 7.693 362 HB2 GLU 42 HB2 GLU 42 8.728 10.859 10.004 363 HB3 GLU 42 HB1 GLU 42 7.064 10.303 9.855 364 HG2 GLU 42 HG2 GLU 42 7.991 7.971 9.608 365 HG3 GLU 42 HG1 GLU 42 9.556 8.637 10.065 366 H GLU 43 HN GLU 43 9.448 8.458 6.625 367 HA GLU 43 HA GLU 43 12.032 9.855 6.894 368 HB2 GLU 43 HB2 GLU 43 11.626 6.906 6.373 369 HB3 GLU 43 HB1 GLU 43 13.141 7.721 6.732 370 HG2 GLU 43 HG2 GLU 43 11.838 8.385 8.937 371 HG3 GLU 43 HG1 GLU 43 10.930 6.928 8.544 372 H HIS 44 HN HIS 44 9.632 9.654 4.871 373 HA HIS 44 HA HIS 44 11.073 8.934 2.450 374 HB2 HIS 44 HB2 HIS 44 8.772 8.158 2.707 375 HB3 HIS 44 HB1 HIS 44 8.210 9.810 2.915 376 HD1 HIS 44 HD1 HIS 44 7.273 10.825 0.851 377 HD2 HIS 44 HD2 HIS 44 9.993 7.801 0.010 378 HE1 HIS 44 HE1 HIS 44 7.254 10.535 -1.657 379 HA PRO 45 HA PRO 45 12.233 13.215 1.861 380 HB2 PRO 45 HB2 PRO 45 13.357 12.904 -0.596 381 HB3 PRO 45 HB1 PRO 45 14.172 12.434 0.903 382 HG2 PRO 45 HG2 PRO 45 12.720 10.724 -1.060 383 HG3 PRO 45 HG1 PRO 45 14.233 10.402 -0.189 384 HD2 PRO 45 HD2 PRO 45 11.855 9.345 0.569 385 HD3 PRO 45 HD1 PRO 45 13.154 9.728 1.717 386 H GLY 46 HN GLY 46 10.306 14.272 1.638 387 HA2 GLY 46 HA2 GLY 46 9.514 15.539 -0.559 388 HA3 GLY 46 HA1 GLY 46 8.739 13.977 -0.798 389 H GLY 47 HN GLY 47 8.522 13.776 2.242 390 HA2 GLY 47 HA2 GLY 47 7.254 15.043 3.906 391 HA3 GLY 47 HA1 GLY 47 6.291 15.684 2.583 392 H GLU 48 HN GLU 48 4.947 14.645 4.636 393 HA GLU 48 HA GLU 48 4.302 11.870 3.987 394 HB2 GLU 48 HB2 GLU 48 2.942 11.938 6.052 395 HB3 GLU 48 HB1 GLU 48 4.627 12.357 6.339 396 HG2 GLU 48 HG2 GLU 48 4.144 14.522 6.856 397 HG3 GLU 48 HG1 GLU 48 2.721 14.568 5.818 398 H GLU 49 HN GLU 49 3.158 15.021 3.392 399 HA GLU 49 HA GLU 49 0.392 14.715 3.342 400 HB2 GLU 49 HB2 GLU 49 1.681 16.853 3.077 401 HB3 GLU 49 HB1 GLU 49 2.006 16.383 1.415 402 HG2 GLU 49 HG2 GLU 49 0.181 17.918 1.437 403 HG3 GLU 49 HG1 GLU 49 -0.428 16.324 0.997 404 H VAL 50 HN VAL 50 2.742 14.117 0.753 405 HA VAL 50 HA VAL 50 0.783 13.368 -1.169 406 HB VAL 50 HB VAL 50 2.714 12.474 -2.475 407 HG11 VAL 50 HG11 VAL 50 3.794 14.667 -2.808 408 HG12 VAL 50 HG12 VAL 50 2.986 15.257 -1.353 409 HG13 VAL 50 HG13 VAL 50 2.033 14.769 -2.756 410 HG21 VAL 50 HG21 VAL 50 4.995 12.970 -1.621 411 HG22 VAL 50 HG22 VAL 50 4.157 11.720 -0.704 412 HG23 VAL 50 HG23 VAL 50 4.285 13.352 -0.052 413 H LEU 51 HN LEU 51 2.180 11.675 1.451 414 HA LEU 51 HA LEU 51 1.713 9.060 0.242 415 HB2 LEU 51 HB2 LEU 51 2.821 9.814 2.944 416 HB3 LEU 51 HB1 LEU 51 2.675 8.175 2.342 417 HG LEU 51 HG LEU 51 4.418 10.332 1.146 418 HD11 LEU 51 HD11 LEU 51 5.095 7.889 2.776 419 HD12 LEU 51 HD12 LEU 51 5.260 9.570 3.288 420 HD13 LEU 51 HD13 LEU 51 6.265 8.942 1.979 421 HD21 LEU 51 HD21 LEU 51 3.999 7.441 0.413 422 HD22 LEU 51 HD22 LEU 51 5.341 8.420 -0.171 423 HD23 LEU 51 HD23 LEU 51 3.685 8.856 -0.589 424 H ARG 52 HN ARG 52 0.558 11.020 2.961 425 HA ARG 52 HA ARG 52 -1.207 9.097 4.008 426 HB2 ARG 52 HB2 ARG 52 -2.259 10.981 5.200 427 HB3 ARG 52 HB1 ARG 52 -0.507 10.986 5.332 428 HG2 ARG 52 HG2 ARG 52 -0.594 13.124 4.740 429 HG3 ARG 52 HG1 ARG 52 -1.002 12.563 3.117 430 HD2 ARG 52 HD2 ARG 52 -2.634 14.176 3.755 431 HD3 ARG 52 HD1 ARG 52 -3.403 12.591 3.801 432 HE ARG 52 HE ARG 52 -3.331 12.666 6.180 433 HH11 ARG 52 HH11 ARG 52 -2.340 15.657 4.586 434 HH12 ARG 52 HH12 ARG 52 -2.645 16.653 6.064 435 HH21 ARG 52 HH21 ARG 52 -3.721 13.916 8.051 436 HH22 ARG 52 HH22 ARG 52 -3.405 15.687 7.986 437 H GLU 53 HN GLU 53 -1.561 11.250 1.298 438 HA GLU 53 HA GLU 53 -4.433 11.018 1.240 439 HB2 GLU 53 HB2 GLU 53 -4.286 12.251 -0.878 440 HB3 GLU 53 HB1 GLU 53 -3.398 13.046 0.412 441 HG2 GLU 53 HG2 GLU 53 -1.306 12.139 -0.485 442 HG3 GLU 53 HG1 GLU 53 -2.215 11.380 -1.792 443 H GLN 54 HN GLN 54 -1.958 8.950 0.415 444 HA GLN 54 HA GLN 54 -3.674 7.553 -1.536 445 HB2 GLN 54 HB2 GLN 54 -0.654 7.475 -1.338 446 HB3 GLN 54 HB1 GLN 54 -1.630 6.578 -2.492 447 HG2 GLN 54 HG2 GLN 54 -1.664 9.574 -2.337 448 HG3 GLN 54 HG1 GLN 54 -0.511 8.690 -3.326 449 HE21 GLN 54 HE21 GLN 54 -3.885 9.462 -2.854 450 HE22 GLN 54 HE22 GLN 54 -4.409 9.015 -4.441 451 H ALA 55 HN ALA 55 -3.008 7.555 1.535 452 HA ALA 55 HA ALA 55 -2.000 5.003 2.167 453 HB1 ALA 55 HB1 ALA 55 -3.796 6.819 3.772 454 HB2 ALA 55 HB2 ALA 55 -2.034 6.809 3.793 455 HB3 ALA 55 HB3 ALA 55 -2.931 5.422 4.405 456 H GLY 56 HN GLY 56 -2.907 3.067 1.875 457 HA2 GLY 56 HA2 GLY 56 -4.542 1.421 1.986 458 HA3 GLY 56 HA1 GLY 56 -5.725 2.654 2.398 459 H GLY 57 HN GLY 57 -3.817 3.336 -0.346 460 HA2 GLY 57 HA2 GLY 57 -5.766 2.133 -2.170 461 HA3 GLY 57 HA1 GLY 57 -5.546 3.876 -2.220 462 H ASP 58 HN ASP 58 -5.084 2.807 -4.532 463 HA ASP 58 HA ASP 58 -2.378 1.855 -4.833 464 HB2 ASP 58 HB2 ASP 58 -4.148 1.067 -6.364 465 HB3 ASP 58 HB1 ASP 58 -4.367 2.712 -6.951 466 H ALA 59 HN ALA 59 -0.687 3.107 -4.804 467 HA ALA 59 HA ALA 59 -1.005 5.957 -5.438 468 HB1 ALA 59 HB1 ALA 59 1.000 6.339 -4.171 469 HB2 ALA 59 HB2 ALA 59 1.301 4.610 -4.037 470 HB3 ALA 59 HB3 ALA 59 -0.078 5.329 -3.211 471 H THR 60 HN THR 60 -0.420 3.331 -7.108 472 HA THR 60 HA THR 60 2.102 3.696 -8.305 473 HB THR 60 HB THR 60 -0.240 2.490 -9.757 474 HG1 THR 60 HG1 THR 60 -0.444 1.291 -7.989 475 HG21 THR 60 HG21 THR 60 2.718 1.877 -9.662 476 HG22 THR 60 HG22 THR 60 1.834 2.605 -11.002 477 HG23 THR 60 HG23 THR 60 1.526 0.928 -10.548 478 H GLU 61 HN GLU 61 -1.034 5.122 -8.912 479 HA GLU 61 HA GLU 61 -0.626 6.174 -11.459 480 HB2 GLU 61 HB2 GLU 61 -2.320 7.874 -10.848 481 HB3 GLU 61 HB1 GLU 61 -2.813 6.238 -10.436 482 HG2 GLU 61 HG2 GLU 61 -2.581 6.604 -8.158 483 HG3 GLU 61 HG1 GLU 61 -1.517 7.992 -8.388 484 H ASN 62 HN ASN 62 0.462 7.299 -8.330 485 HA ASN 62 HA ASN 62 1.607 9.718 -9.505 486 HB2 ASN 62 HB2 ASN 62 1.127 8.758 -6.709 487 HB3 ASN 62 HB1 ASN 62 2.366 9.975 -6.991 488 HD21 ASN 62 HD21 ASN 62 -0.243 10.067 -5.599 489 HD22 ASN 62 HD22 ASN 62 -1.091 11.389 -6.318 490 H PHE 63 HN PHE 63 2.500 6.616 -8.241 491 HA PHE 63 HA PHE 63 5.241 6.983 -7.831 492 HB2 PHE 63 HB2 PHE 63 3.770 4.998 -7.182 493 HB3 PHE 63 HB1 PHE 63 3.975 4.435 -8.835 494 HD1 PHE 63 HD2 PHE 63 5.675 5.047 -5.639 495 HD2 PHE 63 HD1 PHE 63 6.026 3.474 -9.575 496 HE1 PHE 63 HE2 PHE 63 7.766 3.924 -4.996 497 HE2 PHE 63 HE1 PHE 63 8.118 2.344 -8.939 498 HZ PHE 63 HZ PHE 63 8.988 2.570 -6.646 499 H GLU 64 HN GLU 64 3.529 5.761 -10.726 500 HA GLU 64 HA GLU 64 5.961 5.676 -12.258 501 HB2 GLU 64 HB2 GLU 64 4.567 4.967 -14.107 502 HB3 GLU 64 HB1 GLU 64 4.114 4.090 -12.654 503 HG2 GLU 64 HG2 GLU 64 2.182 5.533 -12.366 504 HG3 GLU 64 HG1 GLU 64 2.649 6.462 -13.789 505 H ASP 65 HN ASP 65 3.542 8.038 -11.617 506 HA ASP 65 HA ASP 65 3.877 9.614 -13.962 507 HB2 ASP 65 HB2 ASP 65 1.880 9.758 -12.503 508 HB3 ASP 65 HB1 ASP 65 2.876 10.463 -11.235 509 H VAL 66 HN VAL 66 5.231 9.771 -10.696 510 HA VAL 66 HA VAL 66 6.843 12.073 -11.289 511 HB VAL 66 HB VAL 66 6.986 10.157 -8.951 512 HG11 VAL 66 HG11 VAL 66 8.193 12.902 -9.256 513 HG12 VAL 66 HG12 VAL 66 9.084 11.381 -9.265 514 HG13 VAL 66 HG13 VAL 66 8.241 11.902 -7.806 515 HG21 VAL 66 HG21 VAL 66 4.836 11.270 -9.079 516 HG22 VAL 66 HG22 VAL 66 5.635 12.835 -9.217 517 HG23 VAL 66 HG23 VAL 66 5.774 11.905 -7.728 518 H GLY 67 HN GLY 67 7.403 8.580 -11.019 519 HA2 GLY 67 HA2 GLY 67 9.045 7.378 -12.196 520 HA3 GLY 67 HA1 GLY 67 9.840 8.896 -12.593 521 H HIS 68 HN HIS 68 10.280 6.138 -10.919 522 HA HIS 68 HA HIS 68 11.780 7.494 -8.781 523 HB2 HIS 68 HB2 HIS 68 10.213 4.958 -8.791 524 HB3 HIS 68 HB1 HIS 68 11.586 5.110 -7.696 525 HD1 HIS 68 HD1 HIS 68 8.221 6.689 -8.413 526 HD2 HIS 68 HD2 HIS 68 11.171 6.652 -5.485 527 HE1 HIS 68 HE1 HIS 68 7.269 7.937 -6.432 528 H SER 69 HN SER 69 13.656 6.280 -7.951 529 HA SER 69 HA SER 69 15.418 5.645 -10.109 530 HB2 SER 69 HB2 SER 69 16.859 5.108 -7.881 531 HB3 SER 69 HB1 SER 69 16.626 6.739 -8.513 532 HG SER 69 HG SER 69 15.625 7.188 -6.726 533 H THR 70 HN THR 70 16.775 3.716 -10.150 534 HA THR 70 HA THR 70 15.303 1.349 -10.229 535 HB THR 70 HB THR 70 18.209 1.040 -9.876 536 HG1 THR 70 HG1 THR 70 18.298 2.081 -12.150 537 HG21 THR 70 HG21 THR 70 16.294 0.367 -12.117 538 HG22 THR 70 HG22 THR 70 16.776 -0.717 -10.812 539 HG23 THR 70 HG23 THR 70 17.967 -0.176 -11.994 540 H ASP 71 HN ASP 71 17.653 2.473 -7.803 541 HA ASP 71 HA ASP 71 17.493 0.132 -6.210 542 HB2 ASP 71 HB2 ASP 71 19.407 1.689 -6.108 543 HB3 ASP 71 HB1 ASP 71 18.364 2.908 -5.386 544 H ALA 72 HN ALA 72 15.601 3.065 -6.340 545 HA ALA 72 HA ALA 72 14.402 2.936 -3.805 546 HB1 ALA 72 HB1 ALA 72 13.251 4.043 -6.361 547 HB2 ALA 72 HB2 ALA 72 14.287 4.914 -5.229 548 HB3 ALA 72 HB3 ALA 72 12.679 4.389 -4.728 549 H ARG 73 HN ARG 73 13.304 1.627 -6.937 550 HA ARG 73 HA ARG 73 10.972 0.445 -5.816 551 HB2 ARG 73 HB2 ARG 73 10.691 -0.676 -7.958 552 HB3 ARG 73 HB1 ARG 73 11.083 1.020 -8.191 553 HG2 ARG 73 HG2 ARG 73 12.497 0.204 -9.727 554 HG3 ARG 73 HG1 ARG 73 13.547 -0.062 -8.334 555 HD2 ARG 73 HD2 ARG 73 13.353 -2.031 -9.841 556 HD3 ARG 73 HD1 ARG 73 12.862 -2.357 -8.180 557 HE ARG 73 HE ARG 73 10.725 -1.643 -10.012 558 HH11 ARG 73 HH11 ARG 73 12.585 -4.213 -8.475 559 HH12 ARG 73 HH12 ARG 73 11.289 -5.448 -8.742 560 HH21 ARG 73 HH21 ARG 73 9.068 -3.190 -10.354 561 HH22 ARG 73 HH22 ARG 73 9.340 -4.882 -9.786 562 H GLU 74 HN GLU 74 14.271 -0.565 -6.105 563 HA GLU 74 HA GLU 74 13.724 -3.350 -5.642 564 HB2 GLU 74 HB2 GLU 74 16.269 -1.736 -5.628 565 HB3 GLU 74 HB1 GLU 74 16.230 -3.459 -5.282 566 HG2 GLU 74 HG2 GLU 74 15.230 -2.218 -7.834 567 HG3 GLU 74 HG1 GLU 74 16.840 -2.906 -7.622 568 H LEU 75 HN LEU 75 14.388 -0.536 -3.708 569 HA LEU 75 HA LEU 75 15.003 -1.923 -1.292 570 HB2 LEU 75 HB2 LEU 75 15.733 0.337 -1.491 571 HB3 LEU 75 HB1 LEU 75 14.123 0.893 -1.903 572 HG LEU 75 HG LEU 75 13.397 0.334 0.421 573 HD11 LEU 75 HD11 LEU 75 15.129 0.015 2.121 574 HD12 LEU 75 HD12 LEU 75 16.347 -0.088 0.851 575 HD13 LEU 75 HD13 LEU 75 15.088 -1.318 0.966 576 HD21 LEU 75 HD21 LEU 75 14.567 2.255 1.465 577 HD22 LEU 75 HD22 LEU 75 13.922 2.612 -0.137 578 HD23 LEU 75 HD23 LEU 75 15.648 2.308 0.073 579 H SER 76 HN SER 76 12.109 -0.951 -2.924 580 HA SER 76 HA SER 76 10.324 -1.184 -0.728 581 HB2 SER 76 HB2 SER 76 9.732 -1.413 -3.687 582 HB3 SER 76 HB1 SER 76 8.561 -1.081 -2.410 583 HG SER 76 HG SER 76 10.782 0.567 -3.081 584 H LYS 77 HN LYS 77 12.081 -3.485 -2.370 585 HA LYS 77 HA LYS 77 10.260 -5.615 -2.638 586 HB2 LYS 77 HB2 LYS 77 12.613 -5.385 -3.604 587 HB3 LYS 77 HB1 LYS 77 13.194 -5.916 -2.033 588 HG2 LYS 77 HG2 LYS 77 11.858 -7.984 -2.296 589 HG3 LYS 77 HG1 LYS 77 11.433 -7.452 -3.925 590 HD2 LYS 77 HD2 LYS 77 13.931 -7.274 -4.349 591 HD3 LYS 77 HD1 LYS 77 14.142 -8.178 -2.849 592 HE2 LYS 77 HE2 LYS 77 12.795 -9.997 -3.749 593 HE3 LYS 77 HE1 LYS 77 12.555 -9.091 -5.240 594 HZ1 LYS 77 HZ1 LYS 77 14.282 -10.560 -5.703 595 HZ2 LYS 77 HZ2 LYS 77 15.038 -10.310 -4.210 596 HZ3 LYS 77 HZ3 LYS 77 15.080 -9.101 -5.389 597 H THR 78 HN THR 78 11.940 -4.313 0.114 598 HA THR 78 HA THR 78 11.309 -6.662 1.729 599 HB THR 78 HB THR 78 13.541 -5.490 1.912 600 HG1 THR 78 HG1 THR 78 13.171 -5.359 4.416 601 HG21 THR 78 HG21 THR 78 12.770 -3.177 1.827 602 HG22 THR 78 HG22 THR 78 13.652 -3.478 3.325 603 HG23 THR 78 HG23 THR 78 11.891 -3.398 3.338 604 H PHE 79 HN PHE 79 9.545 -4.202 0.667 605 HA PHE 79 HA PHE 79 8.243 -3.635 3.236 606 HB2 PHE 79 HB2 PHE 79 7.951 -2.258 0.559 607 HB3 PHE 79 HB1 PHE 79 7.052 -1.830 2.008 608 HD1 PHE 79 HD1 PHE 79 9.504 -2.287 3.888 609 HD2 PHE 79 HD2 PHE 79 8.918 -0.085 0.290 610 HE1 PHE 79 HE1 PHE 79 11.309 -0.751 4.535 611 HE2 PHE 79 HE2 PHE 79 10.724 1.454 0.936 612 HZ PHE 79 HZ PHE 79 11.925 1.121 3.056 613 H ILE 80 HN ILE 80 7.778 -5.234 0.187 614 HA ILE 80 HA ILE 80 4.955 -5.362 0.253 615 HB ILE 80 HB ILE 80 6.110 -5.788 -1.820 616 HG12 ILE 80 HG12 ILE 80 4.734 -8.316 -0.884 617 HG13 ILE 80 HG11 ILE 80 3.905 -6.861 -1.424 618 HG21 ILE 80 HG21 ILE 80 8.136 -6.817 -0.915 619 HG22 ILE 80 HG22 ILE 80 7.438 -7.782 -2.216 620 HG23 ILE 80 HG23 ILE 80 7.220 -8.278 -0.539 621 HD11 ILE 80 HD11 ILE 80 3.930 -8.466 -3.201 622 HD12 ILE 80 HD12 ILE 80 5.679 -8.644 -3.073 623 HD13 ILE 80 HD13 ILE 80 4.989 -7.121 -3.630 624 H ILE 81 HN ILE 81 3.710 -6.363 1.650 625 HA ILE 81 HA ILE 81 4.768 -8.718 3.068 626 HB ILE 81 HB ILE 81 3.175 -8.326 4.835 627 HG12 ILE 81 HG12 ILE 81 1.453 -7.282 3.205 628 HG13 ILE 81 HG11 ILE 81 1.500 -6.707 4.866 629 HG21 ILE 81 HG21 ILE 81 4.676 -5.817 4.122 630 HG22 ILE 81 HG22 ILE 81 5.285 -7.188 5.047 631 HG23 ILE 81 HG23 ILE 81 4.001 -6.176 5.710 632 HD11 ILE 81 HD11 ILE 81 2.547 -5.342 2.407 633 HD12 ILE 81 HD12 ILE 81 2.933 -4.813 4.042 634 HD13 ILE 81 HD13 ILE 81 1.259 -4.816 3.488 635 H GLY 82 HN GLY 82 2.760 -7.859 0.595 636 HA2 GLY 82 HA2 GLY 82 1.826 -10.389 0.064 637 HA3 GLY 82 HA1 GLY 82 0.579 -9.624 1.032 638 H GLU 83 HN GLU 83 -0.553 -10.160 -1.054 639 HA GLU 83 HA GLU 83 -0.435 -7.804 -2.808 640 HB2 GLU 83 HB2 GLU 83 -0.677 -10.696 -3.651 641 HB3 GLU 83 HB1 GLU 83 -1.063 -9.346 -4.707 642 HG2 GLU 83 HG2 GLU 83 1.275 -8.540 -4.415 643 HG3 GLU 83 HG1 GLU 83 1.619 -10.025 -3.527 644 H LEU 84 HN LEU 84 -2.499 -7.742 -4.185 645 HA LEU 84 HA LEU 84 -4.726 -7.833 -2.372 646 HB2 LEU 84 HB2 LEU 84 -4.232 -6.773 -5.104 647 HB3 LEU 84 HB1 LEU 84 -5.889 -7.156 -4.685 648 HG LEU 84 HG LEU 84 -5.552 -4.829 -4.275 649 HD11 LEU 84 HD11 LEU 84 -6.239 -4.638 -2.032 650 HD12 LEU 84 HD12 LEU 84 -5.377 -6.098 -1.556 651 HD13 LEU 84 HD13 LEU 84 -6.814 -6.215 -2.569 652 HD21 LEU 84 HD21 LEU 84 -3.134 -4.791 -4.148 653 HD22 LEU 84 HD22 LEU 84 -3.178 -5.636 -2.600 654 HD23 LEU 84 HD23 LEU 84 -3.829 -4.001 -2.732 655 H HIS 85 HN HIS 85 -6.618 -8.995 -2.620 656 HA HIS 85 HA HIS 85 -6.428 -11.680 -3.327 657 HB2 HIS 85 HB2 HIS 85 -8.444 -9.880 -2.338 658 HB3 HIS 85 HB1 HIS 85 -9.147 -10.925 -3.566 659 HD1 HIS 85 HD1 HIS 85 -9.788 -13.220 -2.861 660 HD2 HIS 85 HD2 HIS 85 -7.245 -11.361 -0.135 661 HE1 HIS 85 HE1 HIS 85 -9.692 -14.744 -0.859 662 HE2 HIS 85 HE2 HIS 85 -8.330 -13.489 0.852 663 HA PRO 86 HA PRO 86 -6.788 -11.760 -7.748 664 HB2 PRO 86 HB2 PRO 86 -8.201 -14.112 -8.018 665 HB3 PRO 86 HB1 PRO 86 -6.452 -14.029 -7.773 666 HG2 PRO 86 HG2 PRO 86 -8.612 -14.526 -5.779 667 HG3 PRO 86 HG1 PRO 86 -7.025 -15.301 -5.934 668 HD2 PRO 86 HD2 PRO 86 -7.457 -13.426 -4.083 669 HD3 PRO 86 HD1 PRO 86 -5.907 -13.521 -4.950 670 H ASP 87 HN ASP 87 -9.593 -12.391 -5.741 671 HA ASP 87 HA ASP 87 -11.600 -11.982 -7.680 672 HB2 ASP 87 HB2 ASP 87 -12.098 -11.252 -4.827 673 HB3 ASP 87 HB1 ASP 87 -13.099 -12.183 -5.934 674 H ASP 88 HN ASP 88 -9.726 -9.846 -5.686 675 HA ASP 88 HA ASP 88 -11.326 -7.528 -6.496 676 HB2 ASP 88 HB2 ASP 88 -9.096 -7.803 -4.464 677 HB3 ASP 88 HB1 ASP 88 -9.917 -6.294 -4.840 678 H ARG 89 HN ARG 89 -9.106 -9.253 -7.901 679 HA ARG 89 HA ARG 89 -7.404 -7.010 -8.740 680 HB2 ARG 89 HB2 ARG 89 -6.259 -8.979 -7.760 681 HB3 ARG 89 HB1 ARG 89 -6.920 -9.978 -9.043 682 HG2 ARG 89 HG2 ARG 89 -5.706 -8.595 -10.690 683 HG3 ARG 89 HG1 ARG 89 -4.973 -7.706 -9.354 684 HD2 ARG 89 HD2 ARG 89 -4.691 -10.648 -9.948 685 HD3 ARG 89 HD1 ARG 89 -3.450 -9.408 -10.126 686 HE ARG 89 HE ARG 89 -4.601 -9.970 -7.481 687 HH11 ARG 89 HH11 ARG 89 -1.843 -9.893 -9.674 688 HH12 ARG 89 HH12 ARG 89 -0.650 -10.175 -8.351 689 HH21 ARG 89 HH21 ARG 89 -3.115 -10.340 -5.788 690 HH22 ARG 89 HH22 ARG 89 -1.348 -10.447 -6.197 691 H SER 90 HN SER 90 -8.910 -9.947 -10.115 692 HA SER 90 HA SER 90 -9.333 -8.412 -12.594 693 HB2 SER 90 HB2 SER 90 -9.042 -10.842 -13.631 694 HB3 SER 90 HB1 SER 90 -7.650 -9.800 -13.320 695 HG SER 90 HG SER 90 -7.958 -12.190 -12.417 696 H LYS 91 HN LYS 91 -11.251 -8.779 -10.499 697 HA LYS 91 HA LYS 91 -13.304 -10.151 -12.057 698 HB2 LYS 91 HB2 LYS 91 -12.168 -11.447 -9.938 699 HB3 LYS 91 HB1 LYS 91 -13.532 -10.649 -9.167 700 HG2 LYS 91 HG2 LYS 91 -15.071 -11.705 -10.690 701 HG3 LYS 91 HG1 LYS 91 -13.735 -12.423 -11.592 702 HD2 LYS 91 HD2 LYS 91 -14.181 -12.957 -8.666 703 HD3 LYS 91 HD1 LYS 91 -14.942 -13.925 -9.929 704 HE2 LYS 91 HE2 LYS 91 -11.976 -13.474 -9.897 705 HE3 LYS 91 HE1 LYS 91 -12.711 -14.731 -8.908 706 HZ1 LYS 91 HZ1 LYS 91 -11.912 -15.473 -11.135 707 HZ2 LYS 91 HZ2 LYS 91 -13.124 -14.526 -11.838 708 HZ3 LYS 91 HZ3 LYS 91 -13.539 -15.813 -10.829 709 H LEU 92 HN LEU 92 -13.049 -8.697 -8.818 710 HA LEU 92 HA LEU 92 -14.094 -6.960 -7.817 711 HB2 LEU 92 HB2 LEU 92 -14.210 -6.094 -10.676 712 HB3 LEU 92 HB1 LEU 92 -15.093 -5.182 -9.473 713 HG LEU 92 HG LEU 92 -13.037 -4.060 -9.773 714 HD11 LEU 92 HD11 LEU 92 -12.104 -4.050 -7.611 715 HD12 LEU 92 HD12 LEU 92 -12.553 -5.726 -7.323 716 HD13 LEU 92 HD13 LEU 92 -13.798 -4.485 -7.403 717 HD21 LEU 92 HD21 LEU 92 -11.646 -6.704 -9.380 718 HD22 LEU 92 HD22 LEU 92 -10.859 -5.144 -9.615 719 HD23 LEU 92 HD23 LEU 92 -11.829 -5.847 -10.909 720 H SER 93 HN SER 93 -15.603 -9.391 -8.772 721 HA SER 93 HA SER 93 -18.300 -8.404 -9.167 722 HB2 SER 93 HB2 SER 93 -17.591 -11.282 -8.659 723 HB3 SER 93 HB1 SER 93 -18.873 -10.616 -9.670 724 HG SER 93 HG SER 93 -17.363 -10.029 -11.187 725 H LYS 94 HN LYS 94 -17.282 -7.484 -6.790 726 HA LYS 94 HA LYS 94 -18.685 -9.100 -4.772 727 HB2 LYS 94 HB2 LYS 94 -16.231 -7.377 -4.575 728 HB3 LYS 94 HB1 LYS 94 -17.204 -7.718 -3.152 729 HG2 LYS 94 HG2 LYS 94 -16.720 -9.997 -3.214 730 HG3 LYS 94 HG1 LYS 94 -16.171 -9.931 -4.890 731 HD2 LYS 94 HD2 LYS 94 -14.254 -10.161 -3.456 732 HD3 LYS 94 HD1 LYS 94 -14.254 -8.535 -4.142 733 HE2 LYS 94 HE2 LYS 94 -15.345 -7.741 -2.033 734 HE3 LYS 94 HE1 LYS 94 -15.089 -9.353 -1.365 735 HZ1 LYS 94 HZ1 LYS 94 -13.347 -7.714 -0.758 736 HZ2 LYS 94 HZ2 LYS 94 -12.910 -7.614 -2.398 737 HZ3 LYS 94 HZ3 LYS 94 -12.741 -9.075 -1.565 738 HA PRO 95 HA PRO 95 -21.449 -5.686 -4.308 739 HB2 PRO 95 HB2 PRO 95 -22.377 -6.131 -1.813 740 HB3 PRO 95 HB1 PRO 95 -22.807 -7.169 -3.178 741 HG2 PRO 95 HG2 PRO 95 -20.783 -7.632 -1.041 742 HG3 PRO 95 HG1 PRO 95 -21.934 -8.773 -1.760 743 HD2 PRO 95 HD2 PRO 95 -19.313 -8.667 -2.473 744 HD3 PRO 95 HD1 PRO 95 -20.606 -9.186 -3.576 745 H MET 96 HN MET 96 -21.623 -3.641 -3.343 746 HA MET 96 HA MET 96 -19.378 -2.954 -1.569 747 HB2 MET 96 HB2 MET 96 -19.323 -1.934 -3.853 748 HB3 MET 96 HB1 MET 96 -20.823 -1.105 -3.465 749 HG2 MET 96 HG2 MET 96 -19.680 0.013 -1.583 750 HG3 MET 96 HG1 MET 96 -18.173 -0.751 -2.081 751 HE1 MET 96 HE1 MET 96 -21.051 0.740 -4.351 752 HE2 MET 96 HE2 MET 96 -20.466 2.385 -4.573 753 HE3 MET 96 HE3 MET 96 -20.961 1.835 -2.975 754 H GLU 97 HN GLU 97 -22.319 -1.164 -2.423 755 HA GLU 97 HA GLU 97 -23.978 -0.239 -1.204 756 HB2 GLU 97 HB2 GLU 97 -24.593 -2.410 -0.428 757 HB3 GLU 97 HB1 GLU 97 -23.256 -2.451 0.712 758 HG2 GLU 97 HG2 GLU 97 -24.286 -0.694 2.027 759 HG3 GLU 97 HG1 GLU 97 -25.603 -0.572 0.861 760 H THR 98 HN THR 98 -23.605 1.772 -0.587 761 HA THR 98 HA THR 98 -22.392 2.287 1.970 762 HB THR 98 HB THR 98 -20.426 2.119 0.412 763 HG1 THR 98 HG1 THR 98 -19.448 3.890 1.343 764 HG21 THR 98 HG21 THR 98 -21.508 4.687 -0.761 765 HG22 THR 98 HG22 THR 98 -21.574 3.120 -1.566 766 HG23 THR 98 HG23 THR 98 -20.014 3.861 -1.204 767 H LEU 99 HN LEU 99 -22.089 4.873 2.050 768 HA LEU 99 HA LEU 99 -23.231 6.811 2.361 769 HB2 LEU 99 HB2 LEU 99 -23.885 6.165 -0.505 770 HB3 LEU 99 HB1 LEU 99 -24.401 7.659 0.255 771 HG LEU 99 HG LEU 99 -21.522 6.789 0.031 772 HD11 LEU 99 HD11 LEU 99 -22.334 7.166 -2.185 773 HD12 LEU 99 HD12 LEU 99 -21.387 8.575 -1.702 774 HD13 LEU 99 HD13 LEU 99 -23.150 8.648 -1.689 775 HD21 LEU 99 HD21 LEU 99 -21.752 8.279 1.851 776 HD22 LEU 99 HD22 LEU 99 -22.863 9.315 0.954 777 HD23 LEU 99 HD23 LEU 99 -21.161 9.246 0.499 778 H ILE 100 HN ILE 100 -24.539 5.164 3.778 779 HA ILE 100 HA ILE 100 -27.378 5.562 3.110 780 HB ILE 100 HB ILE 100 -27.732 3.432 4.543 781 HG12 ILE 100 HG12 ILE 100 -24.896 2.945 3.591 782 HG13 ILE 100 HG11 ILE 100 -25.361 3.247 5.262 783 HG21 ILE 100 HG21 ILE 100 -26.627 3.271 1.740 784 HG22 ILE 100 HG22 ILE 100 -28.301 3.592 2.191 785 HG23 ILE 100 HG23 ILE 100 -27.582 2.020 2.536 786 HD11 ILE 100 HD11 ILE 100 -24.996 0.873 4.803 787 HD12 ILE 100 HD12 ILE 100 -26.285 0.917 3.601 788 HD13 ILE 100 HD13 ILE 100 -26.654 1.207 5.301 789 H THR 101 HN THR 101 -25.791 7.337 4.581 790 HA THR 101 HA THR 101 -27.216 7.325 7.106 791 HB THR 101 HB THR 101 -24.212 7.648 7.163 792 HG1 THR 101 HG1 THR 101 -25.786 5.337 7.229 793 HG21 THR 101 HG21 THR 101 -24.445 7.466 9.534 794 HG22 THR 101 HG22 THR 101 -26.141 7.008 9.392 795 HG23 THR 101 HG23 THR 101 -25.633 8.646 8.985 796 H THR 102 HN THR 102 -27.813 9.360 7.631 797 HA THR 102 HA THR 102 -27.108 11.522 5.888 798 HB THR 102 HB THR 102 -28.625 11.894 8.451 799 HG1 THR 102 HG1 THR 102 -30.365 10.887 7.627 800 HG21 THR 102 HG21 THR 102 -28.177 13.860 7.066 801 HG22 THR 102 HG22 THR 102 -29.900 13.480 7.066 802 HG23 THR 102 HG23 THR 102 -28.902 13.055 5.675 803 H VAL 103 HN VAL 103 -24.776 11.409 6.408 804 HA VAL 103 HA VAL 103 -23.961 12.435 8.995 805 HB VAL 103 HB VAL 103 -21.647 12.354 7.978 806 HG11 VAL 103 HG11 VAL 103 -23.328 9.853 8.064 807 HG12 VAL 103 HG12 VAL 103 -22.380 10.558 9.374 808 HG13 VAL 103 HG13 VAL 103 -21.566 9.856 7.976 809 HG21 VAL 103 HG21 VAL 103 -21.364 11.079 5.904 810 HG22 VAL 103 HG22 VAL 103 -22.278 12.563 5.630 811 HG23 VAL 103 HG23 VAL 103 -23.116 11.013 5.706 812 H ASP 104 HN ASP 104 -25.637 14.180 7.562 813 HA ASP 104 HA ASP 104 -23.953 16.248 6.401 814 HB2 ASP 104 HB2 ASP 104 -26.752 15.520 6.277 815 HB3 ASP 104 HB1 ASP 104 -26.564 17.230 6.654 816 HHB HEM 400 HB HEM 400 12.533 5.716 -2.380 817 HHC HEM 400 HC HEM 400 6.280 4.807 -2.590 818 HHD HEM 400 HD HEM 400 5.453 10.788 -4.472 819 HMA HEM 400 HMA1 HEM 400 14.594 6.626 -3.520 820 HMAA HEM 400 HMA2 HEM 400 14.583 7.198 -1.855 821 HMAB HEM 400 HMA3 HEM 400 15.351 8.168 -3.107 822 HAA HEM 400 HAA1 HEM 400 15.049 10.156 -3.352 823 HAAA HEM 400 HAA2 HEM 400 13.841 11.429 -3.427 824 HBA HEM 400 HBA1 HEM 400 14.500 11.687 -5.568 825 HBAA HEM 400 HBA2 HEM 400 13.587 10.215 -5.895 826 HMB HEM 400 HMB1 HEM 400 11.276 2.607 -2.512 827 HMBA HEM 400 HMB2 HEM 400 10.958 2.940 -0.803 828 HMBB HEM 400 HMB3 HEM 400 12.191 3.851 -1.682 829 HAB HEM 400 HAB HEM 400 8.418 2.085 -2.371 830 HBB HEM 400 HBB1 HEM 400 6.706 3.815 -0.418 831 HBBA HEM 400 HBB2 HEM 400 6.558 1.941 -0.816 832 HMC HEM 400 HMC1 HEM 400 2.941 6.354 -3.478 833 HMCA HEM 400 HMC2 HEM 400 3.859 5.685 -2.126 834 HMCB HEM 400 HMC3 HEM 400 4.130 5.100 -3.770 835 HAC HEM 400 HAC HEM 400 3.421 9.633 -4.790 836 HBC HEM 400 HBC1 HEM 400 2.338 7.998 -2.355 837 HBCA HEM 400 HBC2 HEM 400 1.408 9.256 -3.467 838 HMD HEM 400 HMD1 HEM 400 6.357 13.591 -4.226 839 HMDA HEM 400 HMD2 HEM 400 5.958 12.630 -5.655 840 HMDB HEM 400 HMD3 HEM 400 7.198 13.881 -5.738 841 HAD HEM 400 HAD1 HEM 400 9.196 14.400 -4.935 842 HADA HEM 400 HAD2 HEM 400 10.696 13.677 -4.377 843 HBD HEM 400 HBD1 HEM 400 9.745 14.138 -7.117 844 HBDA HEM 400 HBD2 HEM 400 10.417 12.530 -6.854 845 HHA HEM 400 HA HEM 400 11.730 11.678 -4.346 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 18.468 -15.608 17.380 2 H2 MET 1 HT2 MET 1 20.153 -15.554 17.516 3 H3 MET 1 HT3 MET 1 19.355 -14.531 16.427 4 HA MET 1 HA MET 1 18.952 -14.453 19.349 5 HB2 MET 1 HB2 MET 1 21.210 -13.565 17.879 6 HB3 MET 1 HB1 MET 1 20.298 -12.134 18.342 7 HG2 MET 1 HG2 MET 1 22.002 -12.709 19.990 8 HG3 MET 1 HG1 MET 1 20.374 -12.798 20.665 9 HE1 MET 1 HE1 MET 1 22.358 -15.619 22.553 10 HE2 MET 1 HE2 MET 1 21.172 -14.334 22.783 11 HE3 MET 1 HE3 MET 1 22.769 -13.955 22.143 12 H ALA 2 HN ALA 2 19.191 -11.951 16.834 13 HA ALA 2 HA ALA 2 16.312 -11.494 16.982 14 HB1 ALA 2 HB1 ALA 2 17.293 -10.162 18.826 15 HB2 ALA 2 HB2 ALA 2 16.526 -9.162 17.592 16 HB3 ALA 2 HB3 ALA 2 18.283 -9.303 17.646 17 H ALA 3 HN ALA 3 17.579 -12.508 14.846 18 HA ALA 3 HA ALA 3 17.187 -10.421 12.877 19 HB1 ALA 3 HB1 ALA 3 19.586 -10.229 13.431 20 HB2 ALA 3 HB2 ALA 3 19.312 -10.719 11.761 21 HB3 ALA 3 HB3 ALA 3 19.809 -11.914 12.957 22 H GLN 4 HN GLN 4 15.853 -11.314 11.442 23 HA GLN 4 HA GLN 4 16.385 -14.054 10.572 24 HB2 GLN 4 HB2 GLN 4 14.141 -14.772 10.800 25 HB3 GLN 4 HB1 GLN 4 14.545 -13.998 12.326 26 HG2 GLN 4 HG2 GLN 4 13.328 -12.244 10.310 27 HG3 GLN 4 HG1 GLN 4 12.292 -13.532 10.919 28 HE21 GLN 4 HE21 GLN 4 10.930 -12.090 11.970 29 HE22 GLN 4 HE22 GLN 4 11.411 -11.232 13.394 30 H SER 5 HN SER 5 15.632 -14.539 8.460 31 HA SER 5 HA SER 5 14.842 -12.191 6.871 32 HB2 SER 5 HB2 SER 5 16.583 -14.413 5.806 33 HB3 SER 5 HB1 SER 5 16.318 -12.806 5.124 34 HG SER 5 HG SER 5 18.031 -13.628 7.135 35 H ASP 6 HN ASP 6 12.673 -12.992 7.272 36 HA ASP 6 HA ASP 6 11.980 -15.237 5.495 37 HB2 ASP 6 HB2 ASP 6 11.130 -14.658 8.282 38 HB3 ASP 6 HB1 ASP 6 9.887 -15.248 7.182 39 H LYS 7 HN LYS 7 11.200 -14.281 3.736 40 HA LYS 7 HA LYS 7 9.325 -12.038 4.066 41 HB2 LYS 7 HB2 LYS 7 10.914 -12.939 1.656 42 HB3 LYS 7 HB1 LYS 7 9.711 -11.659 1.616 43 HG2 LYS 7 HG2 LYS 7 12.221 -11.648 3.284 44 HG3 LYS 7 HG1 LYS 7 12.003 -10.796 1.756 45 HD2 LYS 7 HD2 LYS 7 10.063 -9.590 2.842 46 HD3 LYS 7 HD1 LYS 7 10.589 -10.298 4.372 47 HE2 LYS 7 HE2 LYS 7 12.846 -9.277 3.949 48 HE3 LYS 7 HE1 LYS 7 12.132 -8.426 2.584 49 HZ1 LYS 7 HZ1 LYS 7 11.449 -8.125 5.451 50 HZ2 LYS 7 HZ2 LYS 7 10.509 -7.472 4.207 51 HZ3 LYS 7 HZ3 LYS 7 12.109 -6.959 4.415 52 H ASP 8 HN ASP 8 7.244 -12.507 3.901 53 HA ASP 8 HA ASP 8 6.449 -14.818 2.256 54 HB2 ASP 8 HB2 ASP 8 6.155 -15.380 4.599 55 HB3 ASP 8 HB1 ASP 8 5.277 -13.882 4.887 56 H VAL 9 HN VAL 9 4.553 -14.613 1.044 57 HA VAL 9 HA VAL 9 3.673 -11.842 0.678 58 HB VAL 9 HB VAL 9 4.489 -12.692 -1.371 59 HG11 VAL 9 HG11 VAL 9 2.814 -15.149 -0.893 60 HG12 VAL 9 HG12 VAL 9 4.574 -15.043 -0.895 61 HG13 VAL 9 HG13 VAL 9 3.674 -14.796 -2.391 62 HG21 VAL 9 HG21 VAL 9 2.487 -11.449 -1.723 63 HG22 VAL 9 HG22 VAL 9 1.482 -12.847 -1.344 64 HG23 VAL 9 HG23 VAL 9 2.454 -12.830 -2.817 65 H LYS 10 HN LYS 10 2.030 -11.491 2.067 66 HA LYS 10 HA LYS 10 -0.014 -13.514 2.447 67 HB2 LYS 10 HB2 LYS 10 1.003 -11.901 4.241 68 HB3 LYS 10 HB1 LYS 10 -0.169 -10.755 3.603 69 HG2 LYS 10 HG2 LYS 10 -1.972 -12.351 4.087 70 HG3 LYS 10 HG1 LYS 10 -0.784 -13.460 4.776 71 HD2 LYS 10 HD2 LYS 10 -0.146 -11.517 6.318 72 HD3 LYS 10 HD1 LYS 10 -1.655 -10.771 5.796 73 HE2 LYS 10 HE2 LYS 10 -1.348 -13.451 7.143 74 HE3 LYS 10 HE1 LYS 10 -1.976 -11.980 7.880 75 HZ1 LYS 10 HZ1 LYS 10 -3.216 -13.648 5.781 76 HZ2 LYS 10 HZ2 LYS 10 -3.725 -12.066 6.072 77 HZ3 LYS 10 HZ3 LYS 10 -3.843 -13.227 7.292 78 H TYR 11 HN TYR 11 -2.028 -13.458 1.579 79 HA TYR 11 HA TYR 11 -2.488 -11.479 -0.494 80 HB2 TYR 11 HB2 TYR 11 -3.432 -14.191 0.085 81 HB3 TYR 11 HB1 TYR 11 -4.703 -13.117 -0.486 82 HD1 TYR 11 HD2 TYR 11 -1.187 -12.764 -1.522 83 HD2 TYR 11 HD1 TYR 11 -5.029 -14.247 -2.579 84 HE1 TYR 11 HE2 TYR 11 -0.419 -13.087 -3.833 85 HE2 TYR 11 HE1 TYR 11 -4.272 -14.578 -4.894 86 HH TYR 11 HH TYR 11 -0.916 -14.133 -5.813 87 H TYR 12 HN TYR 12 -3.290 -9.626 0.127 88 HA TYR 12 HA TYR 12 -5.164 -9.501 2.363 89 HB2 TYR 12 HB2 TYR 12 -3.701 -7.359 0.811 90 HB3 TYR 12 HB1 TYR 12 -4.854 -7.022 2.098 91 HD1 TYR 12 HD2 TYR 12 -4.306 -7.679 4.436 92 HD2 TYR 12 HD1 TYR 12 -1.473 -8.025 1.284 93 HE1 TYR 12 HE2 TYR 12 -2.494 -7.842 6.089 94 HE2 TYR 12 HE1 TYR 12 0.350 -8.186 2.927 95 HH TYR 12 HH TYR 12 -0.267 -8.577 6.320 96 H THR 13 HN THR 13 -7.114 -8.323 2.194 97 HA THR 13 HA THR 13 -8.352 -8.530 -0.460 98 HB THR 13 HB THR 13 -10.106 -7.879 1.806 99 HG1 THR 13 HG1 THR 13 -8.461 -9.247 2.817 100 HG21 THR 13 HG21 THR 13 -11.425 -9.721 0.887 101 HG22 THR 13 HG22 THR 13 -10.086 -10.167 -0.174 102 HG23 THR 13 HG23 THR 13 -10.916 -8.624 -0.400 103 H LEU 14 HN LEU 14 -9.712 -6.780 -1.224 104 HA LEU 14 HA LEU 14 -8.513 -4.270 -1.089 105 HB2 LEU 14 HB2 LEU 14 -10.012 -5.034 -2.897 106 HB3 LEU 14 HB1 LEU 14 -11.374 -4.895 -1.803 107 HG LEU 14 HG LEU 14 -10.847 -2.438 -1.610 108 HD11 LEU 14 HD11 LEU 14 -9.481 -1.425 -3.349 109 HD12 LEU 14 HD12 LEU 14 -9.054 -3.024 -3.959 110 HD13 LEU 14 HD13 LEU 14 -8.527 -2.524 -2.350 111 HD21 LEU 14 HD21 LEU 14 -11.883 -1.871 -3.752 112 HD22 LEU 14 HD22 LEU 14 -12.669 -3.260 -3.003 113 HD23 LEU 14 HD23 LEU 14 -11.551 -3.498 -4.347 114 H GLU 15 HN GLU 15 -11.470 -5.386 0.557 115 HA GLU 15 HA GLU 15 -11.789 -2.885 1.947 116 HB2 GLU 15 HB2 GLU 15 -13.664 -3.977 3.067 117 HB3 GLU 15 HB1 GLU 15 -13.730 -4.255 1.333 118 HG2 GLU 15 HG2 GLU 15 -12.389 -6.294 3.021 119 HG3 GLU 15 HG1 GLU 15 -14.148 -6.188 3.077 120 H GLU 16 HN GLU 16 -9.611 -5.279 2.345 121 HA GLU 16 HA GLU 16 -9.661 -5.286 5.264 122 HB2 GLU 16 HB2 GLU 16 -9.309 -7.424 4.226 123 HB3 GLU 16 HB1 GLU 16 -8.000 -6.789 3.241 124 HG2 GLU 16 HG2 GLU 16 -6.710 -6.394 5.328 125 HG3 GLU 16 HG1 GLU 16 -7.998 -7.208 6.217 126 H ILE 17 HN ILE 17 -7.475 -4.429 2.597 127 HA ILE 17 HA ILE 17 -5.474 -3.347 4.305 128 HB ILE 17 HB ILE 17 -4.708 -2.168 2.129 129 HG12 ILE 17 HG12 ILE 17 -5.646 -3.911 0.250 130 HG13 ILE 17 HG11 ILE 17 -7.085 -3.648 1.226 131 HG21 ILE 17 HG21 ILE 17 -3.890 -4.454 1.265 132 HG22 ILE 17 HG22 ILE 17 -4.711 -5.100 2.688 133 HG23 ILE 17 HG23 ILE 17 -3.411 -3.925 2.878 134 HD11 ILE 17 HD11 ILE 17 -6.922 -2.126 -0.691 135 HD12 ILE 17 HD12 ILE 17 -5.434 -1.466 -0.014 136 HD13 ILE 17 HD13 ILE 17 -6.957 -1.277 0.854 137 H LYS 18 HN LYS 18 -8.172 -1.893 2.524 138 HA LYS 18 HA LYS 18 -7.406 0.771 3.258 139 HB2 LYS 18 HB2 LYS 18 -9.396 1.507 2.181 140 HB3 LYS 18 HB1 LYS 18 -8.698 0.231 1.197 141 HG2 LYS 18 HG2 LYS 18 -10.410 -1.231 1.634 142 HG3 LYS 18 HG1 LYS 18 -10.794 -0.486 3.187 143 HD2 LYS 18 HD2 LYS 18 -12.549 -0.027 1.561 144 HD3 LYS 18 HD1 LYS 18 -11.719 1.462 2.015 145 HE2 LYS 18 HE2 LYS 18 -10.241 0.808 -0.099 146 HE3 LYS 18 HE1 LYS 18 -11.735 -0.003 -0.565 147 HZ1 LYS 18 HZ1 LYS 18 -11.398 2.877 0.069 148 HZ2 LYS 18 HZ2 LYS 18 -12.893 2.135 -0.192 149 HZ3 LYS 18 HZ3 LYS 18 -11.753 2.204 -1.439 150 H LYS 19 HN LYS 19 -8.587 -1.666 5.070 151 HA LYS 19 HA LYS 19 -10.188 0.092 6.800 152 HB2 LYS 19 HB2 LYS 19 -10.283 -2.746 6.137 153 HB3 LYS 19 HB1 LYS 19 -10.268 -2.471 7.875 154 HG2 LYS 19 HG2 LYS 19 -12.543 -2.623 6.954 155 HG3 LYS 19 HG1 LYS 19 -12.217 -1.067 7.717 156 HD2 LYS 19 HD2 LYS 19 -12.072 0.044 5.660 157 HD3 LYS 19 HD1 LYS 19 -11.868 -1.461 4.761 158 HE2 LYS 19 HE2 LYS 19 -14.110 -0.425 4.498 159 HE3 LYS 19 HE1 LYS 19 -14.153 -2.066 5.138 160 HZ1 LYS 19 HZ1 LYS 19 -15.592 -0.237 6.215 161 HZ2 LYS 19 HZ2 LYS 19 -14.158 0.221 6.988 162 HZ3 LYS 19 HZ3 LYS 19 -14.779 -1.336 7.208 163 H HIS 20 HN HIS 20 -7.108 -0.817 6.351 164 HA HIS 20 HA HIS 20 -6.477 -0.714 9.231 165 HB2 HIS 20 HB2 HIS 20 -5.265 -2.338 7.016 166 HB3 HIS 20 HB1 HIS 20 -4.280 -1.872 8.395 167 HD1 HIS 20 HD1 HIS 20 -7.035 -4.145 7.367 168 HD2 HIS 20 HD2 HIS 20 -4.979 -3.114 10.831 169 HE1 HIS 20 HE1 HIS 20 -7.590 -5.935 9.046 170 HE2 HIS 20 HE2 HIS 20 -6.459 -5.208 11.174 171 H ASN 21 HN ASN 21 -6.555 1.099 6.592 172 HA ASN 21 HA ASN 21 -3.910 2.142 6.422 173 HB2 ASN 21 HB2 ASN 21 -4.907 3.896 5.005 174 HB3 ASN 21 HB1 ASN 21 -5.393 2.282 4.507 175 HD21 ASN 21 HD21 ASN 21 -6.759 4.491 3.681 176 HD22 ASN 21 HD22 ASN 21 -8.328 4.513 4.412 177 H HIS 22 HN HIS 22 -3.749 2.340 8.797 178 HA HIS 22 HA HIS 22 -4.623 5.019 9.650 179 HB2 HIS 22 HB2 HIS 22 -4.301 2.505 11.301 180 HB3 HIS 22 HB1 HIS 22 -4.487 4.107 12.004 181 HD1 HIS 22 HD1 HIS 22 -6.832 5.055 12.144 182 HD2 HIS 22 HD2 HIS 22 -6.636 1.548 9.919 183 HE1 HIS 22 HE1 HIS 22 -9.220 4.386 11.719 184 HE2 HIS 22 HE2 HIS 22 -9.076 2.192 10.488 185 H SER 23 HN SER 23 -3.112 5.625 11.672 186 HA SER 23 HA SER 23 -0.578 6.126 10.557 187 HB2 SER 23 HB2 SER 23 -0.881 6.381 13.485 188 HB3 SER 23 HB1 SER 23 -0.357 7.569 12.290 189 HG SER 23 HG SER 23 -2.300 8.326 12.785 190 H LYS 24 HN LYS 24 -1.736 3.465 12.411 191 HA LYS 24 HA LYS 24 0.978 2.669 13.153 192 HB2 LYS 24 HB2 LYS 24 -0.086 0.962 14.544 193 HB3 LYS 24 HB1 LYS 24 -0.724 2.558 14.910 194 HG2 LYS 24 HG2 LYS 24 -2.746 2.100 13.758 195 HG3 LYS 24 HG1 LYS 24 -2.088 0.612 13.072 196 HD2 LYS 24 HD2 LYS 24 -1.897 -0.318 15.352 197 HD3 LYS 24 HD1 LYS 24 -2.651 1.145 15.990 198 HE2 LYS 24 HE2 LYS 24 -4.685 0.684 14.816 199 HE3 LYS 24 HE1 LYS 24 -3.936 -0.656 13.948 200 HZ1 LYS 24 HZ1 LYS 24 -4.387 -0.547 16.882 201 HZ2 LYS 24 HZ2 LYS 24 -3.698 -1.836 16.036 202 HZ3 LYS 24 HZ3 LYS 24 -5.317 -1.427 15.776 203 H SER 25 HN SER 25 -1.038 2.244 10.550 204 HA SER 25 HA SER 25 0.493 -0.019 9.630 205 HB2 SER 25 HB2 SER 25 -2.511 -0.297 9.906 206 HB3 SER 25 HB1 SER 25 -1.429 -1.472 9.162 207 HG SER 25 HG SER 25 -0.461 -0.950 11.561 208 H THR 26 HN THR 26 0.651 2.402 8.558 209 HA THR 26 HA THR 26 -1.263 2.896 6.498 210 HB THR 26 HB THR 26 1.522 3.963 6.310 211 HG1 THR 26 HG1 THR 26 -0.277 4.342 8.435 212 HG21 THR 26 HG21 THR 26 0.312 6.011 5.682 213 HG22 THR 26 HG22 THR 26 -1.223 5.186 5.961 214 HG23 THR 26 HG23 THR 26 -0.151 4.647 4.666 215 H TRP 27 HN TRP 27 -1.528 1.303 5.053 216 HA TRP 27 HA TRP 27 0.834 0.134 3.768 217 HB2 TRP 27 HB2 TRP 27 -2.038 -0.806 3.925 218 HB3 TRP 27 HB1 TRP 27 -0.815 -1.577 2.918 219 HD1 TRP 27 HD1 TRP 27 1.456 -1.106 5.348 220 HE1 TRP 27 HE1 TRP 27 1.469 -2.848 7.238 221 HE3 TRP 27 HE3 TRP 27 -3.245 -3.001 4.704 222 HZ2 TRP 27 HZ2 TRP 27 -0.307 -4.779 8.317 223 HZ3 TRP 27 HZ3 TRP 27 -4.012 -4.793 6.203 224 HH2 TRP 27 HH2 TRP 27 -2.573 -5.663 7.972 225 H LEU 28 HN LEU 28 1.085 0.175 1.562 226 HA LEU 28 HA LEU 28 -0.821 1.844 0.062 227 HB2 LEU 28 HB2 LEU 28 1.917 2.376 0.652 228 HB3 LEU 28 HB1 LEU 28 1.783 2.070 -1.068 229 HG LEU 28 HG LEU 28 0.002 4.053 0.326 230 HD11 LEU 28 HD11 LEU 28 2.727 4.509 -0.879 231 HD12 LEU 28 HD12 LEU 28 2.236 4.795 0.790 232 HD13 LEU 28 HD13 LEU 28 1.574 5.790 -0.507 233 HD21 LEU 28 HD21 LEU 28 0.813 3.574 -2.534 234 HD22 LEU 28 HD22 LEU 28 -0.068 4.998 -1.985 235 HD23 LEU 28 HD23 LEU 28 -0.792 3.400 -1.822 236 H ILE 29 HN ILE 29 -1.168 1.296 -2.086 237 HA ILE 29 HA ILE 29 -0.211 -1.382 -2.834 238 HB ILE 29 HB ILE 29 -2.599 0.157 -3.868 239 HG12 ILE 29 HG12 ILE 29 -2.510 -2.331 -2.153 240 HG13 ILE 29 HG11 ILE 29 -2.796 -0.709 -1.533 241 HG21 ILE 29 HG21 ILE 29 -3.190 -1.936 -5.016 242 HG22 ILE 29 HG22 ILE 29 -1.661 -2.642 -4.489 243 HG23 ILE 29 HG23 ILE 29 -1.664 -1.268 -5.596 244 HD11 ILE 29 HD11 ILE 29 -4.528 -2.017 -3.606 245 HD12 ILE 29 HD12 ILE 29 -4.854 -0.542 -2.696 246 HD13 ILE 29 HD13 ILE 29 -4.837 -2.101 -1.872 247 H LEU 30 HN LEU 30 1.326 -1.475 -4.286 248 HA LEU 30 HA LEU 30 1.403 0.529 -6.441 249 HB2 LEU 30 HB2 LEU 30 3.844 -0.584 -5.055 250 HB3 LEU 30 HB1 LEU 30 3.820 0.618 -6.329 251 HG LEU 30 HG LEU 30 2.610 1.069 -3.604 252 HD11 LEU 30 HD11 LEU 30 4.593 2.343 -3.055 253 HD12 LEU 30 HD12 LEU 30 5.317 1.930 -4.610 254 HD13 LEU 30 HD13 LEU 30 5.021 0.670 -3.409 255 HD21 LEU 30 HD21 LEU 30 3.360 2.976 -5.816 256 HD22 LEU 30 HD22 LEU 30 2.688 3.417 -4.248 257 HD23 LEU 30 HD23 LEU 30 1.722 2.482 -5.386 258 H HIS 31 HN HIS 31 1.151 -0.467 -8.304 259 HA HIS 31 HA HIS 31 1.243 -1.989 -9.983 260 HB2 HIS 31 HB2 HIS 31 3.627 -2.905 -8.386 261 HB3 HIS 31 HB1 HIS 31 3.095 -3.794 -9.807 262 HD1 HIS 31 HD1 HIS 31 3.849 -2.930 -12.040 263 HD2 HIS 31 HD2 HIS 31 4.478 -0.193 -8.972 264 HE1 HIS 31 HE1 HIS 31 5.207 -1.074 -13.056 265 HE2 HIS 31 HE2 HIS 31 5.609 0.556 -11.181 266 H HIS 32 HN HIS 32 -0.478 -2.288 -7.768 267 HA HIS 32 HA HIS 32 -2.090 -3.680 -7.013 268 HB2 HIS 32 HB2 HIS 32 -0.926 -5.588 -9.044 269 HB3 HIS 32 HB1 HIS 32 -2.365 -5.936 -8.089 270 HD1 HIS 32 HD1 HIS 32 -1.287 -4.404 -11.197 271 HD2 HIS 32 HD2 HIS 32 -4.530 -4.014 -8.624 272 HE1 HIS 32 HE1 HIS 32 -3.073 -3.239 -12.530 273 HE2 HIS 32 HE2 HIS 32 -4.936 -2.833 -10.889 274 H LYS 33 HN LYS 33 0.726 -3.634 -5.948 275 HA LYS 33 HA LYS 33 0.564 -6.117 -4.362 276 HB2 LYS 33 HB2 LYS 33 3.085 -4.539 -4.885 277 HB3 LYS 33 HB1 LYS 33 2.950 -6.144 -4.182 278 HG2 LYS 33 HG2 LYS 33 2.301 -7.083 -6.280 279 HG3 LYS 33 HG1 LYS 33 2.162 -5.485 -7.011 280 HD2 LYS 33 HD2 LYS 33 4.222 -6.183 -7.783 281 HD3 LYS 33 HD1 LYS 33 4.665 -5.257 -6.347 282 HE2 LYS 33 HE2 LYS 33 5.922 -7.249 -6.245 283 HE3 LYS 33 HE1 LYS 33 4.613 -7.447 -5.082 284 HZ1 LYS 33 HZ1 LYS 33 5.009 -9.421 -6.496 285 HZ2 LYS 33 HZ2 LYS 33 4.555 -8.516 -7.848 286 HZ3 LYS 33 HZ3 LYS 33 3.427 -8.822 -6.626 287 H VAL 34 HN VAL 34 1.106 -5.912 -2.094 288 HA VAL 34 HA VAL 34 0.531 -3.201 -1.101 289 HB VAL 34 HB VAL 34 0.404 -5.715 0.549 290 HG11 VAL 34 HG11 VAL 34 -1.160 -4.388 1.902 291 HG12 VAL 34 HG12 VAL 34 -0.930 -3.019 0.814 292 HG13 VAL 34 HG13 VAL 34 0.421 -3.614 1.780 293 HG21 VAL 34 HG21 VAL 34 -1.052 -6.117 -1.328 294 HG22 VAL 34 HG22 VAL 34 -1.780 -4.520 -1.155 295 HG23 VAL 34 HG23 VAL 34 -2.033 -5.743 0.089 296 H TYR 35 HN TYR 35 1.952 -2.090 0.059 297 HA TYR 35 HA TYR 35 4.359 -3.478 1.047 298 HB2 TYR 35 HB2 TYR 35 4.205 -0.699 -0.152 299 HB3 TYR 35 HB1 TYR 35 5.649 -1.439 0.531 300 HD1 TYR 35 HD1 TYR 35 3.278 -1.511 -2.273 301 HD2 TYR 35 HD2 TYR 35 6.892 -3.093 -0.699 302 HE1 TYR 35 HE1 TYR 35 3.793 -2.488 -4.466 303 HE2 TYR 35 HE2 TYR 35 7.423 -4.078 -2.891 304 HH TYR 35 HH TYR 35 5.730 -3.256 -5.734 305 H ASP 36 HN ASP 36 5.139 -2.892 3.030 306 HA ASP 36 HA ASP 36 3.329 -1.287 4.693 307 HB2 ASP 36 HB2 ASP 36 3.837 -3.613 5.405 308 HB3 ASP 36 HB1 ASP 36 5.540 -3.187 5.519 309 H LEU 37 HN LEU 37 3.890 0.765 5.001 310 HA LEU 37 HA LEU 37 6.685 1.405 5.569 311 HB2 LEU 37 HB2 LEU 37 6.804 3.207 4.021 312 HB3 LEU 37 HB1 LEU 37 6.252 1.806 3.125 313 HG LEU 37 HG LEU 37 4.247 3.759 4.188 314 HD11 LEU 37 HD11 LEU 37 5.817 4.091 1.635 315 HD12 LEU 37 HD12 LEU 37 5.907 5.131 3.055 316 HD13 LEU 37 HD13 LEU 37 4.417 5.046 2.120 317 HD21 LEU 37 HD21 LEU 37 4.333 2.039 1.711 318 HD22 LEU 37 HD22 LEU 37 2.983 3.038 2.246 319 HD23 LEU 37 HD23 LEU 37 3.484 1.648 3.205 320 H THR 38 HN THR 38 4.333 1.167 7.204 321 HA THR 38 HA THR 38 3.132 3.643 7.771 322 HB THR 38 HB THR 38 2.367 1.307 8.478 323 HG1 THR 38 HG1 THR 38 2.291 3.615 10.129 324 HG21 THR 38 HG21 THR 38 4.235 1.910 10.774 325 HG22 THR 38 HG22 THR 38 4.361 0.565 9.643 326 HG23 THR 38 HG23 THR 38 3.008 0.644 10.769 327 H LYS 39 HN LYS 39 6.215 2.343 8.728 328 HA LYS 39 HA LYS 39 6.524 4.518 10.678 329 HB2 LYS 39 HB2 LYS 39 7.503 1.788 10.532 330 HB3 LYS 39 HB1 LYS 39 8.812 2.935 10.793 331 HG2 LYS 39 HG2 LYS 39 6.320 2.710 12.471 332 HG3 LYS 39 HG1 LYS 39 7.915 2.083 12.899 333 HD2 LYS 39 HD2 LYS 39 8.568 4.081 13.648 334 HD3 LYS 39 HD1 LYS 39 8.078 4.861 12.145 335 HE2 LYS 39 HE2 LYS 39 5.726 4.844 13.012 336 HE3 LYS 39 HE1 LYS 39 6.369 4.285 14.554 337 HZ1 LYS 39 HZ1 LYS 39 7.760 6.316 14.591 338 HZ2 LYS 39 HZ2 LYS 39 6.105 6.640 14.637 339 HZ3 LYS 39 HZ3 LYS 39 6.962 6.858 13.204 340 H PHE 40 HN PHE 40 6.879 4.193 7.537 341 HA PHE 40 HA PHE 40 9.442 5.644 7.444 342 HB2 PHE 40 HB2 PHE 40 8.165 3.826 5.394 343 HB3 PHE 40 HB1 PHE 40 9.542 4.865 5.042 344 HD1 PHE 40 HD1 PHE 40 8.403 1.899 6.869 345 HD2 PHE 40 HD2 PHE 40 11.734 4.355 5.881 346 HE1 PHE 40 HE1 PHE 40 9.929 0.158 7.702 347 HE2 PHE 40 HE2 PHE 40 13.265 2.617 6.709 348 HZ PHE 40 HZ PHE 40 12.363 0.515 7.620 349 H LEU 41 HN LEU 41 6.407 6.359 7.648 350 HA LEU 41 HA LEU 41 5.670 7.781 5.353 351 HB2 LEU 41 HB2 LEU 41 4.956 8.336 8.232 352 HB3 LEU 41 HB1 LEU 41 4.130 9.007 6.837 353 HG LEU 41 HG LEU 41 4.258 6.065 7.519 354 HD11 LEU 41 HD11 LEU 41 2.929 7.344 9.130 355 HD12 LEU 41 HD12 LEU 41 1.922 6.293 8.134 356 HD13 LEU 41 HD13 LEU 41 1.986 8.025 7.801 357 HD21 LEU 41 HD21 LEU 41 2.708 7.556 5.408 358 HD22 LEU 41 HD22 LEU 41 2.534 5.845 5.791 359 HD23 LEU 41 HD23 LEU 41 4.052 6.450 5.129 360 H GLU 42 HN GLU 42 7.092 9.032 8.371 361 HA GLU 42 HA GLU 42 7.616 11.602 7.163 362 HB2 GLU 42 HB2 GLU 42 8.714 12.061 9.412 363 HB3 GLU 42 HB1 GLU 42 6.993 11.704 9.447 364 HG2 GLU 42 HG2 GLU 42 8.153 9.230 9.747 365 HG3 GLU 42 HG1 GLU 42 9.219 10.294 10.664 366 H GLU 43 HN GLU 43 9.036 8.822 6.629 367 HA GLU 43 HA GLU 43 11.774 9.902 6.671 368 HB2 GLU 43 HB2 GLU 43 11.036 6.985 6.403 369 HB3 GLU 43 HB1 GLU 43 12.606 7.670 6.794 370 HG2 GLU 43 HG2 GLU 43 11.072 8.641 8.820 371 HG3 GLU 43 HG1 GLU 43 10.331 7.069 8.526 372 H HIS 44 HN HIS 44 9.237 9.654 4.747 373 HA HIS 44 HA HIS 44 10.587 8.722 2.341 374 HB2 HIS 44 HB2 HIS 44 8.322 7.916 2.675 375 HB3 HIS 44 HB1 HIS 44 7.725 9.561 2.867 376 HD1 HIS 44 HD1 HIS 44 6.775 10.586 0.789 377 HD2 HIS 44 HD2 HIS 44 9.389 7.460 -0.033 378 HE1 HIS 44 HE1 HIS 44 6.734 10.267 -1.725 379 HA PRO 45 HA PRO 45 11.633 12.984 1.424 380 HB2 PRO 45 HB2 PRO 45 12.523 11.985 -1.173 381 HB3 PRO 45 HB1 PRO 45 13.478 12.683 0.138 382 HG2 PRO 45 HG2 PRO 45 13.645 10.082 -0.525 383 HG3 PRO 45 HG1 PRO 45 13.875 10.669 1.133 384 HD2 PRO 45 HD2 PRO 45 11.475 9.372 -0.089 385 HD3 PRO 45 HD1 PRO 45 12.189 9.145 1.523 386 H GLY 46 HN GLY 46 9.594 13.879 1.167 387 HA2 GLY 46 HA2 GLY 46 8.754 14.959 -1.128 388 HA3 GLY 46 HA1 GLY 46 8.061 13.348 -1.245 389 H GLY 47 HN GLY 47 7.894 13.453 1.830 390 HA2 GLY 47 HA2 GLY 47 6.556 14.903 3.318 391 HA3 GLY 47 HA1 GLY 47 5.499 15.180 1.942 392 H GLU 48 HN GLU 48 4.432 14.342 4.303 393 HA GLU 48 HA GLU 48 3.989 11.463 4.015 394 HB2 GLU 48 HB2 GLU 48 2.821 11.722 6.242 395 HB3 GLU 48 HB1 GLU 48 4.547 12.062 6.250 396 HG2 GLU 48 HG2 GLU 48 4.216 14.360 6.449 397 HG3 GLU 48 HG1 GLU 48 2.540 14.256 5.916 398 H GLU 49 HN GLU 49 2.546 14.412 3.213 399 HA GLU 49 HA GLU 49 -0.185 13.757 3.566 400 HB2 GLU 49 HB2 GLU 49 0.659 16.070 3.264 401 HB3 GLU 49 HB1 GLU 49 1.018 15.695 1.586 402 HG2 GLU 49 HG2 GLU 49 -1.031 16.845 1.576 403 HG3 GLU 49 HG1 GLU 49 -1.417 15.150 1.295 404 H VAL 50 HN VAL 50 1.968 13.556 0.739 405 HA VAL 50 HA VAL 50 0.051 12.556 -1.058 406 HB VAL 50 HB VAL 50 1.998 11.669 -2.361 407 HG11 VAL 50 HG11 VAL 50 1.979 14.525 -1.423 408 HG12 VAL 50 HG12 VAL 50 1.266 13.845 -2.886 409 HG13 VAL 50 HG13 VAL 50 3.019 13.956 -2.728 410 HG21 VAL 50 HG21 VAL 50 4.265 12.327 -1.592 411 HG22 VAL 50 HG22 VAL 50 3.506 11.100 -0.577 412 HG23 VAL 50 HG23 VAL 50 3.567 12.777 -0.036 413 H LEU 51 HN LEU 51 1.596 11.042 1.582 414 HA LEU 51 HA LEU 51 1.231 8.359 0.522 415 HB2 LEU 51 HB2 LEU 51 2.173 9.191 3.261 416 HB3 LEU 51 HB1 LEU 51 2.297 7.591 2.556 417 HG LEU 51 HG LEU 51 3.726 10.032 1.506 418 HD11 LEU 51 HD11 LEU 51 4.490 9.382 3.753 419 HD12 LEU 51 HD12 LEU 51 5.720 9.135 2.518 420 HD13 LEU 51 HD13 LEU 51 4.821 7.759 3.153 421 HD21 LEU 51 HD21 LEU 51 4.073 7.106 0.849 422 HD22 LEU 51 HD22 LEU 51 5.004 8.447 0.182 423 HD23 LEU 51 HD23 LEU 51 3.285 8.302 -0.179 424 H ARG 52 HN ARG 52 -0.122 10.460 3.042 425 HA ARG 52 HA ARG 52 -1.827 8.459 4.117 426 HB2 ARG 52 HB2 ARG 52 -2.962 10.318 5.284 427 HB3 ARG 52 HB1 ARG 52 -1.219 10.336 5.493 428 HG2 ARG 52 HG2 ARG 52 -1.440 12.514 5.029 429 HG3 ARG 52 HG1 ARG 52 -1.468 11.959 3.354 430 HD2 ARG 52 HD2 ARG 52 -3.284 13.542 3.840 431 HD3 ARG 52 HD1 ARG 52 -3.890 11.956 3.362 432 HE ARG 52 HE ARG 52 -4.670 11.608 5.526 433 HH11 ARG 52 HH11 ARG 52 -2.953 14.678 5.242 434 HH12 ARG 52 HH12 ARG 52 -3.588 15.293 6.819 435 HH21 ARG 52 HH21 ARG 52 -5.466 12.352 7.532 436 HH22 ARG 52 HH22 ARG 52 -4.978 13.992 8.101 437 H GLU 53 HN GLU 53 -2.200 10.751 1.488 438 HA GLU 53 HA GLU 53 -5.048 10.336 1.318 439 HB2 GLU 53 HB2 GLU 53 -4.919 11.682 -0.731 440 HB3 GLU 53 HB1 GLU 53 -4.120 12.466 0.624 441 HG2 GLU 53 HG2 GLU 53 -1.966 11.885 -0.226 442 HG3 GLU 53 HG1 GLU 53 -2.685 10.887 -1.490 443 H GLN 54 HN GLN 54 -2.443 8.468 0.510 444 HA GLN 54 HA GLN 54 -3.982 7.061 -1.569 445 HB2 GLN 54 HB2 GLN 54 -0.982 7.270 -1.259 446 HB3 GLN 54 HB1 GLN 54 -1.788 6.223 -2.417 447 HG2 GLN 54 HG2 GLN 54 -2.138 9.204 -2.367 448 HG3 GLN 54 HG1 GLN 54 -0.915 8.385 -3.330 449 HE21 GLN 54 HE21 GLN 54 -4.331 8.935 -2.893 450 HE22 GLN 54 HE22 GLN 54 -4.815 8.377 -4.458 451 H ALA 55 HN ALA 55 -3.401 6.975 1.531 452 HA ALA 55 HA ALA 55 -2.285 4.427 2.048 453 HB1 ALA 55 HB1 ALA 55 -4.182 5.982 3.803 454 HB2 ALA 55 HB2 ALA 55 -2.445 6.272 3.709 455 HB3 ALA 55 HB3 ALA 55 -3.050 4.727 4.307 456 H GLY 56 HN GLY 56 -3.122 2.549 1.520 457 HA2 GLY 56 HA2 GLY 56 -4.704 0.834 1.546 458 HA3 GLY 56 HA1 GLY 56 -5.936 2.005 2.002 459 H GLY 57 HN GLY 57 -4.065 3.080 -0.580 460 HA2 GLY 57 HA2 GLY 57 -6.007 2.033 -2.539 461 HA3 GLY 57 HA1 GLY 57 -5.585 3.740 -2.496 462 H ASP 58 HN ASP 58 -5.193 2.754 -4.844 463 HA ASP 58 HA ASP 58 -2.476 1.690 -5.055 464 HB2 ASP 58 HB2 ASP 58 -4.192 0.580 -6.398 465 HB3 ASP 58 HB1 ASP 58 -4.613 2.110 -7.158 466 H ALA 59 HN ALA 59 -0.822 2.976 -5.404 467 HA ALA 59 HA ALA 59 -1.337 5.648 -6.536 468 HB1 ALA 59 HB1 ALA 59 0.632 6.426 -5.315 469 HB2 ALA 59 HB2 ALA 59 0.869 4.807 -4.660 470 HB3 ALA 59 HB3 ALA 59 -0.563 5.733 -4.218 471 H THR 60 HN THR 60 -0.678 2.970 -7.811 472 HA THR 60 HA THR 60 1.948 2.940 -8.772 473 HB THR 60 HB THR 60 -0.491 2.016 -10.295 474 HG1 THR 60 HG1 THR 60 -0.759 0.826 -8.534 475 HG21 THR 60 HG21 THR 60 2.366 1.036 -10.278 476 HG22 THR 60 HG22 THR 60 1.597 1.967 -11.563 477 HG23 THR 60 HG23 THR 60 1.039 0.333 -11.207 478 H GLU 61 HN GLU 61 -0.938 4.569 -9.935 479 HA GLU 61 HA GLU 61 0.032 5.490 -12.394 480 HB2 GLU 61 HB2 GLU 61 -1.756 7.304 -12.050 481 HB3 GLU 61 HB1 GLU 61 -2.283 5.628 -12.099 482 HG2 GLU 61 HG2 GLU 61 -2.404 5.582 -9.668 483 HG3 GLU 61 HG1 GLU 61 -1.843 7.252 -9.600 484 H ASN 62 HN ASN 62 0.337 6.809 -9.147 485 HA ASN 62 HA ASN 62 1.563 9.250 -10.111 486 HB2 ASN 62 HB2 ASN 62 0.094 9.086 -8.023 487 HB3 ASN 62 HB1 ASN 62 1.469 8.309 -7.243 488 HD21 ASN 62 HD21 ASN 62 0.209 11.262 -8.561 489 HD22 ASN 62 HD22 ASN 62 1.414 12.312 -7.901 490 H PHE 63 HN PHE 63 2.490 6.201 -8.717 491 HA PHE 63 HA PHE 63 5.132 6.686 -7.998 492 HB2 PHE 63 HB2 PHE 63 3.675 4.596 -7.620 493 HB3 PHE 63 HB1 PHE 63 4.195 4.092 -9.221 494 HD1 PHE 63 HD2 PHE 63 5.244 4.703 -5.769 495 HD2 PHE 63 HD1 PHE 63 6.440 3.326 -9.613 496 HE1 PHE 63 HE2 PHE 63 7.258 3.702 -4.777 497 HE2 PHE 63 HE1 PHE 63 8.457 2.320 -8.627 498 HZ PHE 63 HZ PHE 63 8.869 2.506 -6.205 499 H GLU 64 HN GLU 64 3.829 5.548 -11.107 500 HA GLU 64 HA GLU 64 6.443 5.676 -12.333 501 HB2 GLU 64 HB2 GLU 64 5.340 4.866 -14.341 502 HB3 GLU 64 HB1 GLU 64 4.878 3.895 -12.951 503 HG2 GLU 64 HG2 GLU 64 2.741 5.026 -12.832 504 HG3 GLU 64 HG1 GLU 64 3.209 6.095 -14.155 505 H ASP 65 HN ASP 65 3.749 7.770 -11.943 506 HA ASP 65 HA ASP 65 4.139 9.390 -14.243 507 HB2 ASP 65 HB2 ASP 65 2.032 9.428 -12.970 508 HB3 ASP 65 HB1 ASP 65 2.881 10.120 -11.589 509 H VAL 66 HN VAL 66 5.106 9.761 -10.852 510 HA VAL 66 HA VAL 66 6.626 12.125 -11.325 511 HB VAL 66 HB VAL 66 6.716 10.176 -9.011 512 HG11 VAL 66 HG11 VAL 66 8.789 11.531 -9.257 513 HG12 VAL 66 HG12 VAL 66 7.900 11.864 -7.773 514 HG13 VAL 66 HG13 VAL 66 7.804 12.988 -9.126 515 HG21 VAL 66 HG21 VAL 66 5.326 12.842 -9.293 516 HG22 VAL 66 HG22 VAL 66 5.358 11.843 -7.842 517 HG23 VAL 66 HG23 VAL 66 4.541 11.263 -9.292 518 H GLY 67 HN GLY 67 7.598 8.784 -10.543 519 HA2 GLY 67 HA2 GLY 67 9.287 7.732 -11.974 520 HA3 GLY 67 HA1 GLY 67 10.089 9.294 -12.041 521 H HIS 68 HN HIS 68 10.473 6.381 -10.847 522 HA HIS 68 HA HIS 68 11.764 7.367 -8.400 523 HB2 HIS 68 HB2 HIS 68 10.158 4.869 -8.851 524 HB3 HIS 68 HB1 HIS 68 11.399 4.913 -7.602 525 HD1 HIS 68 HD1 HIS 68 8.069 6.479 -8.486 526 HD2 HIS 68 HD2 HIS 68 10.770 6.299 -5.329 527 HE1 HIS 68 HE1 HIS 68 6.913 7.533 -6.501 528 H SER 69 HN SER 69 13.802 6.679 -7.990 529 HA SER 69 HA SER 69 15.377 5.851 -10.176 530 HB2 SER 69 HB2 SER 69 17.039 5.480 -8.100 531 HB3 SER 69 HB1 SER 69 16.636 7.085 -8.712 532 HG SER 69 HG SER 69 15.608 7.503 -6.920 533 H THR 70 HN THR 70 16.718 3.924 -10.286 534 HA THR 70 HA THR 70 15.251 1.553 -9.982 535 HB THR 70 HB THR 70 17.699 0.564 -10.295 536 HG1 THR 70 HG1 THR 70 19.174 2.032 -10.744 537 HG21 THR 70 HG21 THR 70 16.254 2.136 -12.439 538 HG22 THR 70 HG22 THR 70 15.889 0.480 -11.956 539 HG23 THR 70 HG23 THR 70 17.438 0.856 -12.714 540 H ASP 71 HN ASP 71 17.504 3.205 -7.910 541 HA ASP 71 HA ASP 71 18.010 1.042 -6.125 542 HB2 ASP 71 HB2 ASP 71 19.273 3.323 -6.451 543 HB3 ASP 71 HB1 ASP 71 18.117 3.916 -5.266 544 H ALA 72 HN ALA 72 15.636 3.624 -6.295 545 HA ALA 72 HA ALA 72 14.519 3.385 -3.736 546 HB1 ALA 72 HB1 ALA 72 13.143 4.268 -6.271 547 HB2 ALA 72 HB2 ALA 72 14.125 5.298 -5.229 548 HB3 ALA 72 HB3 ALA 72 12.621 4.608 -4.620 549 H ARG 73 HN ARG 73 13.642 1.775 -6.794 550 HA ARG 73 HA ARG 73 11.418 0.424 -5.633 551 HB2 ARG 73 HB2 ARG 73 11.253 -0.810 -7.691 552 HB3 ARG 73 HB1 ARG 73 11.583 0.873 -8.056 553 HG2 ARG 73 HG2 ARG 73 13.043 -0.045 -9.500 554 HG3 ARG 73 HG1 ARG 73 14.089 -0.075 -8.080 555 HD2 ARG 73 HD2 ARG 73 13.969 -2.212 -9.427 556 HD3 ARG 73 HD1 ARG 73 13.666 -2.365 -7.697 557 HE ARG 73 HE ARG 73 11.358 -2.098 -9.473 558 HH11 ARG 73 HH11 ARG 73 13.411 -4.128 -7.449 559 HH12 ARG 73 HH12 ARG 73 12.167 -5.436 -7.329 560 HH21 ARG 73 HH21 ARG 73 9.773 -3.734 -9.336 561 HH22 ARG 73 HH22 ARG 73 10.139 -5.218 -8.375 562 H GLU 74 HN GLU 74 14.808 -0.197 -5.713 563 HA GLU 74 HA GLU 74 14.544 -2.998 -5.062 564 HB2 GLU 74 HB2 GLU 74 16.900 -1.115 -5.144 565 HB3 GLU 74 HB1 GLU 74 17.046 -2.782 -4.606 566 HG2 GLU 74 HG2 GLU 74 16.075 -1.903 -7.314 567 HG3 GLU 74 HG1 GLU 74 17.699 -2.482 -6.947 568 H LEU 75 HN LEU 75 14.535 -0.009 -3.424 569 HA LEU 75 HA LEU 75 15.293 -1.076 -0.854 570 HB2 LEU 75 HB2 LEU 75 15.787 1.257 -1.497 571 HB3 LEU 75 HB1 LEU 75 14.067 1.584 -1.591 572 HG LEU 75 HG LEU 75 13.898 1.059 0.851 573 HD11 LEU 75 HD11 LEU 75 15.983 1.085 2.162 574 HD12 LEU 75 HD12 LEU 75 16.905 1.024 0.661 575 HD13 LEU 75 HD13 LEU 75 15.861 -0.324 1.110 576 HD21 LEU 75 HD21 LEU 75 14.868 3.175 1.594 577 HD22 LEU 75 HD22 LEU 75 14.025 3.363 0.055 578 HD23 LEU 75 HD23 LEU 75 15.787 3.284 0.095 579 H SER 76 HN SER 76 12.374 -0.407 -2.644 580 HA SER 76 HA SER 76 10.628 -0.782 -0.382 581 HB2 SER 76 HB2 SER 76 9.016 -1.000 -2.579 582 HB3 SER 76 HB1 SER 76 9.469 0.530 -1.829 583 HG SER 76 HG SER 76 10.939 0.884 -3.386 584 H LYS 77 HN LYS 77 12.407 -2.807 -2.306 585 HA LYS 77 HA LYS 77 10.692 -4.975 -2.796 586 HB2 LYS 77 HB2 LYS 77 12.950 -4.611 -3.806 587 HB3 LYS 77 HB1 LYS 77 13.666 -5.052 -2.264 588 HG2 LYS 77 HG2 LYS 77 12.655 -7.274 -2.437 589 HG3 LYS 77 HG1 LYS 77 11.967 -6.827 -4.001 590 HD2 LYS 77 HD2 LYS 77 14.249 -6.431 -4.856 591 HD3 LYS 77 HD1 LYS 77 14.901 -6.967 -3.307 592 HE2 LYS 77 HE2 LYS 77 14.017 -9.167 -3.617 593 HE3 LYS 77 HE1 LYS 77 13.125 -8.659 -5.052 594 HZ1 LYS 77 HZ1 LYS 77 15.256 -8.214 -6.139 595 HZ2 LYS 77 HZ2 LYS 77 15.110 -9.832 -5.685 596 HZ3 LYS 77 HZ3 LYS 77 16.078 -8.782 -4.777 597 H THR 78 HN THR 78 12.344 -3.925 0.079 598 HA THR 78 HA THR 78 11.815 -6.446 1.439 599 HB THR 78 HB THR 78 13.997 -5.218 1.750 600 HG1 THR 78 HG1 THR 78 14.130 -5.933 3.801 601 HG21 THR 78 HG21 THR 78 13.110 -2.937 1.870 602 HG22 THR 78 HG22 THR 78 14.045 -3.333 3.312 603 HG23 THR 78 HG23 THR 78 12.282 -3.336 3.373 604 H PHE 79 HN PHE 79 10.132 -3.677 0.765 605 HA PHE 79 HA PHE 79 8.763 -3.483 3.332 606 HB2 PHE 79 HB2 PHE 79 8.428 -1.904 0.773 607 HB3 PHE 79 HB1 PHE 79 7.500 -1.625 2.239 608 HD1 PHE 79 HD2 PHE 79 10.077 -2.205 4.026 609 HD2 PHE 79 HD1 PHE 79 9.190 0.389 0.769 610 HE1 PHE 79 HE2 PHE 79 11.799 -0.636 4.812 611 HE2 PHE 79 HE1 PHE 79 10.911 1.961 1.551 612 HZ PHE 79 HZ PHE 79 12.217 1.451 3.573 613 H ILE 80 HN ILE 80 8.456 -5.273 0.504 614 HA ILE 80 HA ILE 80 5.642 -5.275 0.193 615 HB ILE 80 HB ILE 80 7.086 -6.043 -1.608 616 HG12 ILE 80 HG12 ILE 80 5.292 -8.229 -0.538 617 HG13 ILE 80 HG11 ILE 80 4.776 -6.857 -1.513 618 HG21 ILE 80 HG21 ILE 80 8.860 -7.082 -0.346 619 HG22 ILE 80 HG22 ILE 80 8.190 -8.243 -1.493 620 HG23 ILE 80 HG23 ILE 80 7.763 -8.345 0.216 621 HD11 ILE 80 HD11 ILE 80 4.943 -8.902 -2.825 622 HD12 ILE 80 HD12 ILE 80 6.651 -9.035 -2.406 623 HD13 ILE 80 HD13 ILE 80 6.085 -7.682 -3.383 624 H ILE 81 HN ILE 81 4.094 -6.284 1.249 625 HA ILE 81 HA ILE 81 4.850 -8.331 3.229 626 HB ILE 81 HB ILE 81 2.594 -7.633 4.313 627 HG12 ILE 81 HG12 ILE 81 3.282 -5.066 2.871 628 HG13 ILE 81 HG11 ILE 81 1.965 -6.136 2.402 629 HG21 ILE 81 HG21 ILE 81 5.046 -5.886 4.472 630 HG22 ILE 81 HG22 ILE 81 4.743 -7.361 5.389 631 HG23 ILE 81 HG23 ILE 81 3.748 -5.932 5.665 632 HD11 ILE 81 HD11 ILE 81 0.734 -5.647 4.318 633 HD12 ILE 81 HD12 ILE 81 1.408 -4.094 3.823 634 HD13 ILE 81 HD13 ILE 81 2.135 -4.985 5.159 635 H GLY 82 HN GLY 82 3.046 -7.629 0.433 636 HA2 GLY 82 HA2 GLY 82 2.334 -10.193 -0.162 637 HA3 GLY 82 HA1 GLY 82 1.002 -9.599 0.815 638 H GLU 83 HN GLU 83 -0.267 -9.999 -1.077 639 HA GLU 83 HA GLU 83 -0.253 -7.706 -2.908 640 HB2 GLU 83 HB2 GLU 83 -0.420 -10.623 -3.645 641 HB3 GLU 83 HB1 GLU 83 -1.054 -9.368 -4.696 642 HG2 GLU 83 HG2 GLU 83 1.278 -8.345 -4.596 643 HG3 GLU 83 HG1 GLU 83 1.786 -9.886 -3.904 644 H LEU 84 HN LEU 84 -2.442 -8.044 -4.322 645 HA LEU 84 HA LEU 84 -4.561 -8.099 -2.312 646 HB2 LEU 84 HB2 LEU 84 -4.362 -6.994 -5.098 647 HB3 LEU 84 HB1 LEU 84 -5.925 -7.234 -4.349 648 HG LEU 84 HG LEU 84 -5.438 -4.976 -3.990 649 HD11 LEU 84 HD11 LEU 84 -5.330 -4.719 -1.645 650 HD12 LEU 84 HD12 LEU 84 -4.439 -6.226 -1.448 651 HD13 LEU 84 HD13 LEU 84 -6.131 -6.262 -1.939 652 HD21 LEU 84 HD21 LEU 84 -3.109 -5.001 -4.655 653 HD22 LEU 84 HD22 LEU 84 -2.669 -5.807 -3.149 654 HD23 LEU 84 HD23 LEU 84 -3.299 -4.161 -3.115 655 H HIS 85 HN HIS 85 -6.589 -9.161 -2.766 656 HA HIS 85 HA HIS 85 -6.290 -11.837 -3.603 657 HB2 HIS 85 HB2 HIS 85 -8.644 -10.110 -2.899 658 HB3 HIS 85 HB1 HIS 85 -8.915 -11.695 -3.609 659 HD1 HIS 85 HD1 HIS 85 -10.087 -12.221 -1.270 660 HD2 HIS 85 HD2 HIS 85 -5.971 -11.681 -1.161 661 HE1 HIS 85 HE1 HIS 85 -9.342 -13.162 0.939 662 HE2 HIS 85 HE2 HIS 85 -6.832 -12.960 0.918 663 HA PRO 86 HA PRO 86 -6.697 -11.651 -7.999 664 HB2 PRO 86 HB2 PRO 86 -8.262 -13.882 -8.443 665 HB3 PRO 86 HB1 PRO 86 -6.514 -13.920 -8.188 666 HG2 PRO 86 HG2 PRO 86 -8.704 -14.459 -6.241 667 HG3 PRO 86 HG1 PRO 86 -7.144 -15.280 -6.438 668 HD2 PRO 86 HD2 PRO 86 -7.543 -13.511 -4.466 669 HD3 PRO 86 HD1 PRO 86 -5.980 -13.640 -5.299 670 H ASP 87 HN ASP 87 -9.590 -12.187 -6.086 671 HA ASP 87 HA ASP 87 -11.491 -11.515 -8.062 672 HB2 ASP 87 HB2 ASP 87 -12.070 -10.925 -5.197 673 HB3 ASP 87 HB1 ASP 87 -13.066 -11.741 -6.397 674 H ASP 88 HN ASP 88 -9.711 -9.639 -5.696 675 HA ASP 88 HA ASP 88 -11.081 -7.186 -6.437 676 HB2 ASP 88 HB2 ASP 88 -8.781 -7.642 -4.519 677 HB3 ASP 88 HB1 ASP 88 -9.656 -6.130 -4.731 678 H ARG 89 HN ARG 89 -8.814 -8.981 -7.850 679 HA ARG 89 HA ARG 89 -7.094 -6.742 -8.617 680 HB2 ARG 89 HB2 ARG 89 -6.178 -8.997 -7.797 681 HB3 ARG 89 HB1 ARG 89 -6.654 -9.617 -9.372 682 HG2 ARG 89 HG2 ARG 89 -5.218 -7.933 -10.448 683 HG3 ARG 89 HG1 ARG 89 -4.706 -7.381 -8.852 684 HD2 ARG 89 HD2 ARG 89 -4.301 -10.146 -9.990 685 HD3 ARG 89 HD1 ARG 89 -3.066 -8.898 -9.832 686 HE ARG 89 HE ARG 89 -4.426 -9.837 -7.413 687 HH11 ARG 89 HH11 ARG 89 -1.514 -9.694 -9.405 688 HH12 ARG 89 HH12 ARG 89 -0.454 -10.314 -8.081 689 HH21 ARG 89 HH21 ARG 89 -3.083 -10.635 -5.721 690 HH22 ARG 89 HH22 ARG 89 -1.312 -10.850 -6.066 691 H SER 90 HN SER 90 -8.858 -9.445 -10.191 692 HA SER 90 HA SER 90 -8.938 -7.745 -12.597 693 HB2 SER 90 HB2 SER 90 -9.119 -10.746 -12.669 694 HB3 SER 90 HB1 SER 90 -8.699 -9.638 -13.974 695 HG SER 90 HG SER 90 -6.751 -9.192 -12.889 696 H LYS 91 HN LYS 91 -10.873 -9.541 -10.350 697 HA LYS 91 HA LYS 91 -13.140 -9.762 -12.112 698 HB2 LYS 91 HB2 LYS 91 -12.801 -10.244 -9.159 699 HB3 LYS 91 HB1 LYS 91 -14.354 -10.387 -9.968 700 HG2 LYS 91 HG2 LYS 91 -13.361 -12.104 -11.457 701 HG3 LYS 91 HG1 LYS 91 -11.881 -12.013 -10.501 702 HD2 LYS 91 HD2 LYS 91 -12.908 -12.909 -8.603 703 HD3 LYS 91 HD1 LYS 91 -14.528 -12.539 -9.194 704 HE2 LYS 91 HE2 LYS 91 -12.698 -14.539 -10.497 705 HE3 LYS 91 HE1 LYS 91 -13.869 -14.966 -9.255 706 HZ1 LYS 91 HZ1 LYS 91 -14.624 -13.600 -11.776 707 HZ2 LYS 91 HZ2 LYS 91 -15.648 -14.325 -10.643 708 HZ3 LYS 91 HZ3 LYS 91 -14.631 -15.281 -11.596 709 H LEU 92 HN LEU 92 -12.553 -7.953 -9.105 710 HA LEU 92 HA LEU 92 -13.233 -5.920 -8.376 711 HB2 LEU 92 HB2 LEU 92 -13.588 -5.648 -11.289 712 HB3 LEU 92 HB1 LEU 92 -14.565 -4.561 -10.325 713 HG LEU 92 HG LEU 92 -12.484 -3.498 -11.006 714 HD11 LEU 92 HD11 LEU 92 -11.777 -2.677 -8.861 715 HD12 LEU 92 HD12 LEU 92 -12.448 -4.093 -8.055 716 HD13 LEU 92 HD13 LEU 92 -13.522 -2.934 -8.834 717 HD21 LEU 92 HD21 LEU 92 -11.061 -5.609 -9.394 718 HD22 LEU 92 HD22 LEU 92 -10.328 -4.276 -10.284 719 HD23 LEU 92 HD23 LEU 92 -11.136 -5.577 -11.156 720 H SER 93 HN SER 93 -15.085 -8.396 -9.003 721 HA SER 93 HA SER 93 -17.703 -7.200 -8.760 722 HB2 SER 93 HB2 SER 93 -17.331 -10.102 -8.258 723 HB3 SER 93 HB1 SER 93 -18.520 -9.278 -9.264 724 HG SER 93 HG SER 93 -16.628 -10.586 -10.230 725 H LYS 94 HN LYS 94 -17.662 -6.100 -6.797 726 HA LYS 94 HA LYS 94 -17.931 -7.781 -4.441 727 HB2 LYS 94 HB2 LYS 94 -15.488 -6.752 -4.879 728 HB3 LYS 94 HB1 LYS 94 -16.228 -5.385 -4.062 729 HG2 LYS 94 HG2 LYS 94 -15.337 -6.490 -2.280 730 HG3 LYS 94 HG1 LYS 94 -16.941 -7.223 -2.324 731 HD2 LYS 94 HD2 LYS 94 -16.146 -9.236 -3.002 732 HD3 LYS 94 HD1 LYS 94 -14.856 -8.521 -3.971 733 HE2 LYS 94 HE2 LYS 94 -14.900 -8.789 -0.968 734 HE3 LYS 94 HE1 LYS 94 -13.929 -9.742 -2.088 735 HZ1 LYS 94 HZ1 LYS 94 -12.764 -7.840 -0.958 736 HZ2 LYS 94 HZ2 LYS 94 -13.706 -6.801 -1.889 737 HZ3 LYS 94 HZ3 LYS 94 -12.638 -7.871 -2.651 738 HA PRO 95 HA PRO 95 -21.095 -4.646 -3.929 739 HB2 PRO 95 HB2 PRO 95 -21.709 -5.844 -1.353 740 HB3 PRO 95 HB1 PRO 95 -22.666 -5.868 -2.838 741 HG2 PRO 95 HG2 PRO 95 -21.482 -8.084 -1.805 742 HG3 PRO 95 HG1 PRO 95 -21.812 -7.861 -3.533 743 HD2 PRO 95 HD2 PRO 95 -19.240 -7.541 -2.048 744 HD3 PRO 95 HD1 PRO 95 -19.543 -8.222 -3.659 745 H MET 96 HN MET 96 -20.405 -2.665 -3.371 746 HA MET 96 HA MET 96 -18.629 -2.285 -1.124 747 HB2 MET 96 HB2 MET 96 -18.405 -1.024 -3.284 748 HB3 MET 96 HB1 MET 96 -19.872 -0.153 -2.858 749 HG2 MET 96 HG2 MET 96 -18.836 0.826 -0.951 750 HG3 MET 96 HG1 MET 96 -17.422 -0.211 -1.116 751 HE1 MET 96 HE1 MET 96 -19.377 2.871 -2.439 752 HE2 MET 96 HE2 MET 96 -19.439 1.833 -3.862 753 HE3 MET 96 HE3 MET 96 -18.482 3.316 -3.892 754 H GLU 97 HN GLU 97 -21.598 -0.513 -2.000 755 HA GLU 97 HA GLU 97 -23.342 0.266 -0.775 756 HB2 GLU 97 HB2 GLU 97 -23.632 -2.046 -0.034 757 HB3 GLU 97 HB1 GLU 97 -22.455 -1.804 1.246 758 HG2 GLU 97 HG2 GLU 97 -23.918 -0.220 2.338 759 HG3 GLU 97 HG1 GLU 97 -25.081 -0.352 1.020 760 H THR 98 HN THR 98 -23.090 2.307 -0.167 761 HA THR 98 HA THR 98 -22.025 2.940 2.405 762 HB THR 98 HB THR 98 -19.959 2.733 0.918 763 HG1 THR 98 HG1 THR 98 -19.698 3.849 2.796 764 HG21 THR 98 HG21 THR 98 -21.044 5.319 -0.207 765 HG22 THR 98 HG22 THR 98 -20.863 3.802 -1.087 766 HG23 THR 98 HG23 THR 98 -19.434 4.657 -0.506 767 H LEU 99 HN LEU 99 -21.956 5.417 2.661 768 HA LEU 99 HA LEU 99 -23.111 7.357 2.769 769 HB2 LEU 99 HB2 LEU 99 -23.478 6.717 -0.146 770 HB3 LEU 99 HB1 LEU 99 -24.082 8.196 0.576 771 HG LEU 99 HG LEU 99 -21.178 7.363 0.541 772 HD11 LEU 99 HD11 LEU 99 -21.933 7.849 -1.701 773 HD12 LEU 99 HD12 LEU 99 -20.926 9.172 -1.114 774 HD13 LEU 99 HD13 LEU 99 -22.680 9.349 -1.155 775 HD21 LEU 99 HD21 LEU 99 -21.465 8.758 2.399 776 HD22 LEU 99 HD22 LEU 99 -22.631 9.782 1.560 777 HD23 LEU 99 HD23 LEU 99 -20.925 9.844 1.115 778 H ILE 100 HN ILE 100 -24.469 5.669 4.041 779 HA ILE 100 HA ILE 100 -27.247 5.858 3.073 780 HB ILE 100 HB ILE 100 -27.648 3.825 4.569 781 HG12 ILE 100 HG12 ILE 100 -24.646 3.594 4.259 782 HG13 ILE 100 HG11 ILE 100 -25.494 3.921 5.765 783 HG21 ILE 100 HG21 ILE 100 -25.981 3.525 2.075 784 HG22 ILE 100 HG22 ILE 100 -27.731 3.709 2.149 785 HG23 ILE 100 HG23 ILE 100 -26.969 2.260 2.800 786 HD11 ILE 100 HD11 ILE 100 -24.782 1.595 5.593 787 HD12 ILE 100 HD12 ILE 100 -25.747 1.411 4.127 788 HD13 ILE 100 HD13 ILE 100 -26.539 1.735 5.669 789 H THR 101 HN THR 101 -25.153 7.141 5.156 790 HA THR 101 HA THR 101 -27.219 7.665 7.180 791 HB THR 101 HB THR 101 -24.447 7.809 8.147 792 HG1 THR 101 HG1 THR 101 -25.419 5.193 8.018 793 HG21 THR 101 HG21 THR 101 -25.416 6.696 10.088 794 HG22 THR 101 HG22 THR 101 -26.905 6.403 9.196 795 HG23 THR 101 HG23 THR 101 -26.429 8.052 9.591 796 H THR 102 HN THR 102 -27.190 9.776 8.072 797 HA THR 102 HA THR 102 -25.859 11.729 6.366 798 HB THR 102 HB THR 102 -27.847 12.303 8.561 799 HG1 THR 102 HG1 THR 102 -28.236 11.573 5.844 800 HG21 THR 102 HG21 THR 102 -26.589 14.235 7.754 801 HG22 THR 102 HG22 THR 102 -28.275 14.334 7.244 802 HG23 THR 102 HG23 THR 102 -27.032 13.841 6.094 803 H VAL 103 HN VAL 103 -23.818 12.031 6.992 804 HA VAL 103 HA VAL 103 -23.220 12.319 9.846 805 HB VAL 103 HB VAL 103 -20.831 12.251 9.130 806 HG11 VAL 103 HG11 VAL 103 -22.478 9.912 8.173 807 HG12 VAL 103 HG12 VAL 103 -22.024 10.220 9.848 808 HG13 VAL 103 HG13 VAL 103 -20.780 9.874 8.647 809 HG21 VAL 103 HG21 VAL 103 -20.288 11.544 6.855 810 HG22 VAL 103 HG22 VAL 103 -21.116 13.100 6.852 811 HG23 VAL 103 HG23 VAL 103 -21.991 11.634 6.416 812 H ASP 104 HN ASP 104 -24.503 14.279 7.884 813 HA ASP 104 HA ASP 104 -22.619 16.501 7.986 814 HB2 ASP 104 HB2 ASP 104 -25.192 15.978 6.559 815 HB3 ASP 104 HB1 ASP 104 -24.713 17.647 6.851 816 HHB HEM 400 HB HEM 400 11.746 5.222 -1.945 817 HHC HEM 400 HC HEM 400 5.459 4.854 -2.555 818 HHD HEM 400 HD HEM 400 5.341 10.763 -4.820 819 HMA HEM 400 HMA1 HEM 400 14.018 5.880 -2.965 820 HMAA HEM 400 HMA2 HEM 400 13.797 6.511 -1.333 821 HMAB HEM 400 HMA3 HEM 400 14.804 7.382 -2.484 822 HAA HEM 400 HAA1 HEM 400 14.344 9.997 -2.791 823 HAAA HEM 400 HAA2 HEM 400 13.600 10.462 -4.312 824 HBA HEM 400 HBA1 HEM 400 14.581 7.896 -4.804 825 HBAA HEM 400 HBA2 HEM 400 15.837 8.665 -3.833 826 HMB HEM 400 HMB1 HEM 400 10.610 2.496 -2.058 827 HMBA HEM 400 HMB2 HEM 400 9.666 2.456 -0.565 828 HMBB HEM 400 HMB3 HEM 400 11.033 3.560 -0.730 829 HAB HEM 400 HAB HEM 400 6.602 2.411 -2.372 830 HBB HEM 400 HBB1 HEM 400 7.521 2.851 0.586 831 HBBA HEM 400 HBB2 HEM 400 6.342 1.509 -0.123 832 HMC HEM 400 HMC1 HEM 400 2.327 6.682 -3.707 833 HMCA HEM 400 HMC2 HEM 400 3.100 6.026 -2.263 834 HMCB HEM 400 HMC3 HEM 400 3.381 5.288 -3.842 835 HAC HEM 400 HAC HEM 400 3.228 9.688 -5.317 836 HBC HEM 400 HBC1 HEM 400 1.873 8.624 -2.707 837 HBCA HEM 400 HBC2 HEM 400 1.145 9.777 -4.059 838 HMD HEM 400 HMD1 HEM 400 5.945 12.497 -5.792 839 HMDA HEM 400 HMD2 HEM 400 7.340 13.421 -6.361 840 HMDB HEM 400 HMD3 HEM 400 6.734 13.635 -4.716 841 HAD HEM 400 HAD1 HEM 400 9.435 13.956 -5.310 842 HADA HEM 400 HAD2 HEM 400 10.826 13.147 -4.612 843 HBD HEM 400 HBD1 HEM 400 9.998 12.300 -7.346 844 HBDA HEM 400 HBD2 HEM 400 11.613 12.446 -6.652 845 HHA HEM 400 HA HEM 400 11.666 11.036 -4.427 Start of MODEL 21 1 H1 MET 1 HT1 MET 1 21.997 -12.419 18.179 2 H2 MET 1 HT2 MET 1 20.858 -11.178 18.022 3 H3 MET 1 HT3 MET 1 21.235 -12.152 16.695 4 HA MET 1 HA MET 1 20.371 -14.090 17.918 5 HB2 MET 1 HB2 MET 1 19.262 -11.956 19.749 6 HB3 MET 1 HB1 MET 1 18.951 -13.681 19.853 7 HG2 MET 1 HG2 MET 1 20.863 -14.088 20.933 8 HG3 MET 1 HG1 MET 1 21.782 -12.958 19.941 9 HE1 MET 1 HE1 MET 1 18.491 -11.988 21.956 10 HE2 MET 1 HE2 MET 1 19.194 -11.708 23.550 11 HE3 MET 1 HE3 MET 1 19.231 -13.317 22.844 12 H ALA 2 HN ALA 2 18.950 -10.847 17.520 13 HA ALA 2 HA ALA 2 16.685 -12.107 16.128 14 HB1 ALA 2 HB1 ALA 2 16.083 -10.751 18.088 15 HB2 ALA 2 HB2 ALA 2 15.416 -10.094 16.594 16 HB3 ALA 2 HB3 ALA 2 16.830 -9.345 17.333 17 H ALA 3 HN ALA 3 18.066 -12.331 14.248 18 HA ALA 3 HA ALA 3 18.141 -9.839 12.679 19 HB1 ALA 3 HB1 ALA 3 20.418 -10.463 13.365 20 HB2 ALA 3 HB2 ALA 3 20.205 -10.569 11.619 21 HB3 ALA 3 HB3 ALA 3 20.210 -12.036 12.596 22 H GLN 4 HN GLN 4 16.350 -12.322 12.981 23 HA GLN 4 HA GLN 4 16.509 -13.815 10.599 24 HB2 GLN 4 HB2 GLN 4 14.217 -14.543 11.111 25 HB3 GLN 4 HB1 GLN 4 15.263 -14.632 12.518 26 HG2 GLN 4 HG2 GLN 4 13.726 -12.138 12.204 27 HG3 GLN 4 HG1 GLN 4 12.793 -13.591 12.554 28 HE21 GLN 4 HE21 GLN 4 12.218 -12.781 14.578 29 HE22 GLN 4 HE22 GLN 4 13.337 -12.740 15.896 30 H SER 5 HN SER 5 16.022 -13.326 8.589 31 HA SER 5 HA SER 5 14.115 -11.147 8.069 32 HB2 SER 5 HB2 SER 5 16.614 -11.702 6.456 33 HB3 SER 5 HB1 SER 5 15.476 -10.377 6.217 34 HG SER 5 HG SER 5 16.731 -10.703 8.709 35 H ASP 6 HN ASP 6 12.430 -12.528 7.661 36 HA ASP 6 HA ASP 6 12.801 -14.570 5.587 37 HB2 ASP 6 HB2 ASP 6 11.187 -14.367 7.984 38 HB3 ASP 6 HB1 ASP 6 10.191 -14.746 6.585 39 H LYS 7 HN LYS 7 11.591 -14.598 3.720 40 HA LYS 7 HA LYS 7 10.145 -12.115 3.104 41 HB2 LYS 7 HB2 LYS 7 11.248 -14.239 1.251 42 HB3 LYS 7 HB1 LYS 7 10.411 -12.782 0.737 43 HG2 LYS 7 HG2 LYS 7 13.006 -12.817 2.266 44 HG3 LYS 7 HG1 LYS 7 12.863 -12.638 0.518 45 HD2 LYS 7 HD2 LYS 7 11.415 -10.620 0.959 46 HD3 LYS 7 HD1 LYS 7 11.884 -10.750 2.654 47 HE2 LYS 7 HE2 LYS 7 14.258 -10.574 1.968 48 HE3 LYS 7 HE1 LYS 7 13.730 -10.341 0.302 49 HZ1 LYS 7 HZ1 LYS 7 13.316 -8.542 2.616 50 HZ2 LYS 7 HZ2 LYS 7 12.430 -8.381 1.180 51 HZ3 LYS 7 HZ3 LYS 7 14.115 -8.212 1.161 52 H ASP 8 HN ASP 8 7.998 -12.154 2.707 53 HA ASP 8 HA ASP 8 6.684 -14.715 2.200 54 HB2 ASP 8 HB2 ASP 8 6.753 -13.876 4.748 55 HB3 ASP 8 HB1 ASP 8 5.366 -12.944 4.196 56 H VAL 9 HN VAL 9 4.241 -14.258 1.886 57 HA VAL 9 HA VAL 9 3.548 -11.673 0.873 58 HB VAL 9 HB VAL 9 4.765 -12.303 -1.078 59 HG11 VAL 9 HG11 VAL 9 3.294 -14.930 -0.997 60 HG12 VAL 9 HG12 VAL 9 5.017 -14.667 -0.724 61 HG13 VAL 9 HG13 VAL 9 4.326 -14.392 -2.324 62 HG21 VAL 9 HG21 VAL 9 2.599 -11.252 -1.503 63 HG22 VAL 9 HG22 VAL 9 1.843 -12.842 -1.604 64 HG23 VAL 9 HG23 VAL 9 3.044 -12.359 -2.800 65 H LYS 10 HN LYS 10 1.762 -11.698 2.117 66 HA LYS 10 HA LYS 10 -0.093 -13.958 1.894 67 HB2 LYS 10 HB2 LYS 10 -0.070 -11.596 3.785 68 HB3 LYS 10 HB1 LYS 10 -1.232 -12.914 3.829 69 HG2 LYS 10 HG2 LYS 10 0.547 -14.489 4.361 70 HG3 LYS 10 HG1 LYS 10 1.739 -13.192 4.259 71 HD2 LYS 10 HD2 LYS 10 0.685 -12.050 6.129 72 HD3 LYS 10 HD1 LYS 10 -0.567 -13.290 6.202 73 HE2 LYS 10 HE2 LYS 10 1.132 -14.973 6.719 74 HE3 LYS 10 HE1 LYS 10 2.381 -13.732 6.651 75 HZ1 LYS 10 HZ1 LYS 10 0.111 -13.795 8.562 76 HZ2 LYS 10 HZ2 LYS 10 1.312 -12.608 8.502 77 HZ3 LYS 10 HZ3 LYS 10 1.715 -14.199 8.920 78 H TYR 11 HN TYR 11 -2.071 -13.770 0.963 79 HA TYR 11 HA TYR 11 -2.545 -11.356 -0.576 80 HB2 TYR 11 HB2 TYR 11 -3.854 -14.073 -0.557 81 HB3 TYR 11 HB1 TYR 11 -4.491 -12.723 -1.495 82 HD1 TYR 11 HD1 TYR 11 -3.277 -11.878 -3.435 83 HD2 TYR 11 HD2 TYR 11 -1.775 -15.160 -1.176 84 HE1 TYR 11 HE1 TYR 11 -1.698 -12.392 -5.248 85 HE2 TYR 11 HE2 TYR 11 -0.195 -15.684 -2.985 86 HH TYR 11 HH TYR 11 0.526 -13.562 -5.475 87 H TYR 12 HN TYR 12 -3.457 -9.743 0.452 88 HA TYR 12 HA TYR 12 -5.428 -10.259 2.546 89 HB2 TYR 12 HB2 TYR 12 -4.012 -7.729 1.696 90 HB3 TYR 12 HB1 TYR 12 -5.209 -7.804 2.981 91 HD1 TYR 12 HD2 TYR 12 -4.714 -9.248 5.003 92 HD2 TYR 12 HD1 TYR 12 -1.761 -8.249 2.117 93 HE1 TYR 12 HE2 TYR 12 -2.954 -9.810 6.622 94 HE2 TYR 12 HE1 TYR 12 0.014 -8.810 3.726 95 HH TYR 12 HH TYR 12 -0.613 -10.490 6.632 96 H THR 13 HN THR 13 -7.351 -8.845 2.633 97 HA THR 13 HA THR 13 -8.614 -8.752 0.017 98 HB THR 13 HB THR 13 -10.447 -7.934 1.981 99 HG1 THR 13 HG1 THR 13 -10.049 -9.143 3.725 100 HG21 THR 13 HG21 THR 13 -11.450 -10.149 1.579 101 HG22 THR 13 HG22 THR 13 -9.964 -10.668 0.777 102 HG23 THR 13 HG23 THR 13 -10.944 -9.378 0.075 103 H LEU 14 HN LEU 14 -9.672 -6.878 -0.773 104 HA LEU 14 HA LEU 14 -8.260 -4.483 -0.519 105 HB2 LEU 14 HB2 LEU 14 -9.568 -5.033 -2.487 106 HB3 LEU 14 HB1 LEU 14 -11.050 -4.985 -1.551 107 HG LEU 14 HG LEU 14 -10.469 -2.519 -1.101 108 HD11 LEU 14 HD11 LEU 14 -8.802 -2.889 -3.579 109 HD12 LEU 14 HD12 LEU 14 -8.125 -2.769 -1.957 110 HD13 LEU 14 HD13 LEU 14 -9.032 -1.418 -2.632 111 HD21 LEU 14 HD21 LEU 14 -11.492 -1.826 -3.219 112 HD22 LEU 14 HD22 LEU 14 -12.311 -3.222 -2.515 113 HD23 LEU 14 HD23 LEU 14 -11.209 -3.440 -3.875 114 H GLU 15 HN GLU 15 -11.297 -5.515 0.966 115 HA GLU 15 HA GLU 15 -11.893 -3.022 2.187 116 HB2 GLU 15 HB2 GLU 15 -13.435 -4.431 3.629 117 HB3 GLU 15 HB1 GLU 15 -13.704 -4.513 1.893 118 HG2 GLU 15 HG2 GLU 15 -11.929 -6.543 3.141 119 HG3 GLU 15 HG1 GLU 15 -13.668 -6.671 3.401 120 H GLU 16 HN GLU 16 -9.668 -5.493 3.009 121 HA GLU 16 HA GLU 16 -9.608 -4.823 5.829 122 HB2 GLU 16 HB2 GLU 16 -9.269 -7.151 5.088 123 HB3 GLU 16 HB1 GLU 16 -7.815 -6.655 4.232 124 HG2 GLU 16 HG2 GLU 16 -7.316 -7.717 6.381 125 HG3 GLU 16 HG1 GLU 16 -6.744 -6.054 6.307 126 H ILE 17 HN ILE 17 -7.412 -4.565 3.038 127 HA ILE 17 HA ILE 17 -5.352 -3.255 4.445 128 HB ILE 17 HB ILE 17 -4.545 -2.520 2.178 129 HG12 ILE 17 HG12 ILE 17 -5.865 -4.097 0.408 130 HG13 ILE 17 HG11 ILE 17 -7.198 -3.602 1.445 131 HG21 ILE 17 HG21 ILE 17 -4.004 -4.825 1.457 132 HG22 ILE 17 HG22 ILE 17 -5.162 -5.429 2.640 133 HG23 ILE 17 HG23 ILE 17 -3.736 -4.543 3.177 134 HD11 ILE 17 HD11 ILE 17 -6.803 -2.182 -0.570 135 HD12 ILE 17 HD12 ILE 17 -5.292 -1.660 0.177 136 HD13 ILE 17 HD13 ILE 17 -6.831 -1.319 0.969 137 H LYS 18 HN LYS 18 -8.293 -2.035 2.992 138 HA LYS 18 HA LYS 18 -7.368 0.721 3.251 139 HB2 LYS 18 HB2 LYS 18 -9.377 1.381 2.126 140 HB3 LYS 18 HB1 LYS 18 -8.687 0.021 1.254 141 HG2 LYS 18 HG2 LYS 18 -10.384 -1.395 1.839 142 HG3 LYS 18 HG1 LYS 18 -10.764 -0.512 3.319 143 HD2 LYS 18 HD2 LYS 18 -12.533 -0.195 1.701 144 HD3 LYS 18 HD1 LYS 18 -11.677 1.326 1.947 145 HE2 LYS 18 HE2 LYS 18 -10.262 0.390 -0.110 146 HE3 LYS 18 HE1 LYS 18 -11.786 -0.430 -0.435 147 HZ1 LYS 18 HZ1 LYS 18 -11.377 2.493 -0.152 148 HZ2 LYS 18 HZ2 LYS 18 -12.889 1.753 -0.305 149 HZ3 LYS 18 HZ3 LYS 18 -11.768 1.655 -1.566 150 H LYS 19 HN LYS 19 -8.396 -1.441 5.368 151 HA LYS 19 HA LYS 19 -10.046 0.476 6.876 152 HB2 LYS 19 HB2 LYS 19 -11.064 -1.760 6.373 153 HB3 LYS 19 HB1 LYS 19 -9.793 -2.500 7.336 154 HG2 LYS 19 HG2 LYS 19 -11.158 -2.296 9.070 155 HG3 LYS 19 HG1 LYS 19 -10.817 -0.565 9.011 156 HD2 LYS 19 HD2 LYS 19 -13.181 -0.800 9.035 157 HD3 LYS 19 HD1 LYS 19 -12.731 -0.354 7.386 158 HE2 LYS 19 HE2 LYS 19 -12.953 -2.625 6.651 159 HE3 LYS 19 HE1 LYS 19 -13.184 -3.188 8.304 160 HZ1 LYS 19 HZ1 LYS 19 -15.282 -3.078 7.176 161 HZ2 LYS 19 HZ2 LYS 19 -15.037 -1.455 6.760 162 HZ3 LYS 19 HZ3 LYS 19 -15.250 -1.888 8.379 163 H HIS 20 HN HIS 20 -7.226 -1.552 6.886 164 HA HIS 20 HA HIS 20 -6.547 -0.880 9.624 165 HB2 HIS 20 HB2 HIS 20 -5.829 -2.947 7.772 166 HB3 HIS 20 HB1 HIS 20 -4.366 -2.140 8.324 167 HD1 HIS 20 HD1 HIS 20 -6.764 -4.692 9.292 168 HD2 HIS 20 HD2 HIS 20 -4.154 -2.106 11.260 169 HE1 HIS 20 HE1 HIS 20 -6.502 -5.620 11.614 170 HE2 HIS 20 HE2 HIS 20 -4.806 -4.136 12.730 171 H ASN 21 HN ASN 21 -6.488 0.881 6.974 172 HA ASN 21 HA ASN 21 -3.792 1.801 6.819 173 HB2 ASN 21 HB2 ASN 21 -4.728 3.625 5.414 174 HB3 ASN 21 HB1 ASN 21 -5.243 2.029 4.891 175 HD21 ASN 21 HD21 ASN 21 -6.539 4.362 4.140 176 HD22 ASN 21 HD22 ASN 21 -8.121 4.370 4.842 177 H HIS 22 HN HIS 22 -3.469 2.069 9.124 178 HA HIS 22 HA HIS 22 -4.420 4.695 10.050 179 HB2 HIS 22 HB2 HIS 22 -3.989 2.157 11.630 180 HB3 HIS 22 HB1 HIS 22 -4.120 3.738 12.393 181 HD1 HIS 22 HD1 HIS 22 -6.444 4.700 12.689 182 HD2 HIS 22 HD2 HIS 22 -6.393 1.291 10.315 183 HE1 HIS 22 HE1 HIS 22 -8.855 4.098 12.322 184 HE2 HIS 22 HE2 HIS 22 -8.785 2.199 10.664 185 H SER 23 HN SER 23 -2.877 5.329 12.052 186 HA SER 23 HA SER 23 -0.447 6.092 10.921 187 HB2 SER 23 HB2 SER 23 -0.640 5.937 13.880 188 HB3 SER 23 HB1 SER 23 -0.145 7.279 12.846 189 HG SER 23 HG SER 23 -2.156 7.932 12.695 190 H LYS 24 HN LYS 24 -1.226 3.166 12.660 191 HA LYS 24 HA LYS 24 1.642 2.529 12.772 192 HB2 LYS 24 HB2 LYS 24 1.029 0.826 14.468 193 HB3 LYS 24 HB1 LYS 24 0.678 2.476 14.960 194 HG2 LYS 24 HG2 LYS 24 -1.714 1.979 14.111 195 HG3 LYS 24 HG1 LYS 24 -1.221 0.287 14.209 196 HD2 LYS 24 HD2 LYS 24 -1.202 2.297 16.459 197 HD3 LYS 24 HD1 LYS 24 -2.317 0.947 16.266 198 HE2 LYS 24 HE2 LYS 24 -0.608 -0.641 16.635 199 HE3 LYS 24 HE1 LYS 24 0.656 0.575 16.466 200 HZ1 LYS 24 HZ1 LYS 24 -0.007 1.568 18.517 201 HZ2 LYS 24 HZ2 LYS 24 0.211 -0.089 18.786 202 HZ3 LYS 24 HZ3 LYS 24 -1.349 0.547 18.652 203 H SER 25 HN SER 25 -0.485 2.202 10.580 204 HA SER 25 HA SER 25 0.545 -0.275 9.588 205 HB2 SER 25 HB2 SER 25 -2.380 -0.094 10.349 206 HB3 SER 25 HB1 SER 25 -1.742 -1.303 9.236 207 HG SER 25 HG SER 25 -0.271 -1.213 11.507 208 H THR 26 HN THR 26 0.851 2.234 8.627 209 HA THR 26 HA THR 26 -1.116 2.913 6.656 210 HB THR 26 HB THR 26 1.690 3.921 6.491 211 HG1 THR 26 HG1 THR 26 -0.113 4.290 8.636 212 HG21 THR 26 HG21 THR 26 0.551 6.024 5.981 213 HG22 THR 26 HG22 THR 26 -1.009 5.259 6.285 214 HG23 THR 26 HG23 THR 26 -0.017 4.730 4.925 215 H TRP 27 HN TRP 27 -1.404 1.201 5.274 216 HA TRP 27 HA TRP 27 0.914 0.166 3.823 217 HB2 TRP 27 HB2 TRP 27 -1.944 -0.804 4.032 218 HB3 TRP 27 HB1 TRP 27 -0.741 -1.534 2.973 219 HD1 TRP 27 HD1 TRP 27 1.530 -1.039 5.467 220 HE1 TRP 27 HE1 TRP 27 1.610 -2.875 7.265 221 HE3 TRP 27 HE3 TRP 27 -3.049 -3.147 4.631 222 HZ2 TRP 27 HZ2 TRP 27 -0.073 -4.957 8.198 223 HZ3 TRP 27 HZ3 TRP 27 -3.740 -5.058 6.018 224 HH2 TRP 27 HH2 TRP 27 -2.281 -5.942 7.766 225 H LEU 28 HN LEU 28 1.105 0.292 1.631 226 HA LEU 28 HA LEU 28 -0.890 1.915 0.198 227 HB2 LEU 28 HB2 LEU 28 1.969 2.419 0.610 228 HB3 LEU 28 HB1 LEU 28 1.475 2.502 -1.069 229 HG LEU 28 HG LEU 28 -0.041 4.025 1.023 230 HD11 LEU 28 HD11 LEU 28 2.189 4.727 1.428 231 HD12 LEU 28 HD12 LEU 28 1.426 5.972 0.438 232 HD13 LEU 28 HD13 LEU 28 2.543 4.819 -0.296 233 HD21 LEU 28 HD21 LEU 28 -0.456 5.509 -0.906 234 HD22 LEU 28 HD22 LEU 28 -1.042 3.867 -1.161 235 HD23 LEU 28 HD23 LEU 28 0.455 4.396 -1.925 236 H ILE 29 HN ILE 29 -1.292 1.335 -1.908 237 HA ILE 29 HA ILE 29 -0.184 -1.259 -2.713 238 HB ILE 29 HB ILE 29 -2.645 0.195 -3.694 239 HG12 ILE 29 HG12 ILE 29 -2.417 -2.370 -2.107 240 HG13 ILE 29 HG11 ILE 29 -2.769 -0.796 -1.401 241 HG21 ILE 29 HG21 ILE 29 -3.144 -1.816 -4.979 242 HG22 ILE 29 HG22 ILE 29 -1.625 -2.543 -4.452 243 HG23 ILE 29 HG23 ILE 29 -1.607 -1.115 -5.485 244 HD11 ILE 29 HD11 ILE 29 -4.464 -2.132 -3.495 245 HD12 ILE 29 HD12 ILE 29 -4.838 -0.660 -2.599 246 HD13 ILE 29 HD13 ILE 29 -4.765 -2.208 -1.760 247 H LEU 30 HN LEU 30 1.293 -1.334 -4.217 248 HA LEU 30 HA LEU 30 1.329 0.703 -6.339 249 HB2 LEU 30 HB2 LEU 30 3.727 -0.323 -4.819 250 HB3 LEU 30 HB1 LEU 30 3.807 0.678 -6.256 251 HG LEU 30 HG LEU 30 2.530 1.530 -3.657 252 HD11 LEU 30 HD11 LEU 30 4.498 2.927 -3.357 253 HD12 LEU 30 HD12 LEU 30 5.218 2.240 -4.815 254 HD13 LEU 30 HD13 LEU 30 4.936 1.220 -3.403 255 HD21 LEU 30 HD21 LEU 30 3.174 3.010 -6.197 256 HD22 LEU 30 HD22 LEU 30 2.687 3.781 -4.690 257 HD23 LEU 30 HD23 LEU 30 1.576 2.695 -5.523 258 H HIS 31 HN HIS 31 1.148 -0.238 -8.238 259 HA HIS 31 HA HIS 31 1.221 -1.745 -9.923 260 HB2 HIS 31 HB2 HIS 31 3.700 -2.447 -8.408 261 HB3 HIS 31 HB1 HIS 31 3.152 -3.551 -9.664 262 HD1 HIS 31 HD1 HIS 31 3.625 -2.904 -12.067 263 HD2 HIS 31 HD2 HIS 31 4.387 0.183 -9.383 264 HE1 HIS 31 HE1 HIS 31 4.801 -1.126 -13.396 265 HE2 HIS 31 HE2 HIS 31 5.112 0.791 -11.797 266 H HIS 32 HN HIS 32 -0.456 -2.121 -7.710 267 HA HIS 32 HA HIS 32 -2.037 -3.559 -6.985 268 HB2 HIS 32 HB2 HIS 32 -0.798 -5.379 -9.046 269 HB3 HIS 32 HB1 HIS 32 -2.178 -5.854 -8.066 270 HD1 HIS 32 HD1 HIS 32 -2.135 -5.430 -11.241 271 HD2 HIS 32 HD2 HIS 32 -3.670 -2.803 -8.406 272 HE1 HIS 32 HE1 HIS 32 -3.823 -4.027 -12.463 273 HE2 HIS 32 HE2 HIS 32 -4.788 -2.492 -10.717 274 H LYS 33 HN LYS 33 0.790 -3.466 -5.884 275 HA LYS 33 HA LYS 33 0.589 -5.935 -4.291 276 HB2 LYS 33 HB2 LYS 33 3.081 -4.393 -5.035 277 HB3 LYS 33 HB1 LYS 33 3.041 -5.775 -3.949 278 HG2 LYS 33 HG2 LYS 33 2.023 -7.056 -5.913 279 HG3 LYS 33 HG1 LYS 33 2.564 -5.701 -6.905 280 HD2 LYS 33 HD2 LYS 33 4.848 -6.053 -6.204 281 HD3 LYS 33 HD1 LYS 33 4.347 -7.336 -5.104 282 HE2 LYS 33 HE2 LYS 33 3.450 -8.554 -7.113 283 HE3 LYS 33 HE1 LYS 33 4.245 -7.337 -8.111 284 HZ1 LYS 33 HZ1 LYS 33 6.351 -7.966 -7.046 285 HZ2 LYS 33 HZ2 LYS 33 5.653 -9.244 -7.899 286 HZ3 LYS 33 HZ3 LYS 33 5.556 -9.204 -6.215 287 H VAL 34 HN VAL 34 1.058 -5.753 -2.039 288 HA VAL 34 HA VAL 34 0.485 -3.062 -1.017 289 HB VAL 34 HB VAL 34 0.403 -5.644 0.546 290 HG11 VAL 34 HG11 VAL 34 -0.976 -4.405 2.097 291 HG12 VAL 34 HG12 VAL 34 -0.923 -2.984 1.053 292 HG13 VAL 34 HG13 VAL 34 0.550 -3.554 1.843 293 HG21 VAL 34 HG21 VAL 34 -1.148 -5.892 -1.279 294 HG22 VAL 34 HG22 VAL 34 -1.821 -4.288 -0.977 295 HG23 VAL 34 HG23 VAL 34 -2.053 -5.579 0.202 296 H TYR 35 HN TYR 35 2.014 -1.906 -0.064 297 HA TYR 35 HA TYR 35 4.396 -3.301 0.969 298 HB2 TYR 35 HB2 TYR 35 4.222 -0.578 -0.339 299 HB3 TYR 35 HB1 TYR 35 5.670 -1.230 0.422 300 HD1 TYR 35 HD2 TYR 35 6.779 -3.229 -0.573 301 HD2 TYR 35 HD1 TYR 35 3.585 -1.226 -2.539 302 HE1 TYR 35 HE2 TYR 35 7.396 -4.331 -2.686 303 HE2 TYR 35 HE1 TYR 35 4.186 -2.328 -4.652 304 HH TYR 35 HH TYR 35 6.061 -3.383 -5.704 305 H ASP 36 HN ASP 36 5.107 -2.792 2.976 306 HA ASP 36 HA ASP 36 3.372 -1.066 4.585 307 HB2 ASP 36 HB2 ASP 36 3.888 -3.443 5.291 308 HB3 ASP 36 HB1 ASP 36 5.545 -2.922 5.567 309 H LEU 37 HN LEU 37 3.987 0.953 4.798 310 HA LEU 37 HA LEU 37 6.808 1.532 5.353 311 HB2 LEU 37 HB2 LEU 37 6.789 3.475 3.920 312 HB3 LEU 37 HB1 LEU 37 6.375 2.058 2.978 313 HG LEU 37 HG LEU 37 4.166 3.747 4.074 314 HD11 LEU 37 HD11 LEU 37 5.759 4.389 1.592 315 HD12 LEU 37 HD12 LEU 37 5.705 5.352 3.068 316 HD13 LEU 37 HD13 LEU 37 4.254 5.165 2.085 317 HD21 LEU 37 HD21 LEU 37 2.952 2.905 2.244 318 HD22 LEU 37 HD22 LEU 37 3.868 1.533 2.862 319 HD23 LEU 37 HD23 LEU 37 4.412 2.373 1.410 320 H THR 38 HN THR 38 4.475 1.210 7.023 321 HA THR 38 HA THR 38 3.272 3.612 7.761 322 HB THR 38 HB THR 38 2.599 1.262 8.428 323 HG1 THR 38 HG1 THR 38 2.526 3.572 9.993 324 HG21 THR 38 HG21 THR 38 4.597 1.752 10.640 325 HG22 THR 38 HG22 THR 38 4.730 0.524 9.380 326 HG23 THR 38 HG23 THR 38 3.431 0.427 10.573 327 H LYS 39 HN LYS 39 6.440 2.370 8.591 328 HA LYS 39 HA LYS 39 6.747 4.590 10.490 329 HB2 LYS 39 HB2 LYS 39 8.003 1.903 10.279 330 HB3 LYS 39 HB1 LYS 39 9.001 3.211 10.903 331 HG2 LYS 39 HG2 LYS 39 6.344 2.324 12.023 332 HG3 LYS 39 HG1 LYS 39 7.936 1.977 12.704 333 HD2 LYS 39 HD2 LYS 39 8.285 4.473 12.851 334 HD3 LYS 39 HD1 LYS 39 6.575 4.657 12.451 335 HE2 LYS 39 HE2 LYS 39 5.990 3.307 14.424 336 HE3 LYS 39 HE1 LYS 39 7.703 3.176 14.829 337 HZ1 LYS 39 HZ1 LYS 39 7.712 5.670 14.913 338 HZ2 LYS 39 HZ2 LYS 39 6.819 4.918 16.130 339 HZ3 LYS 39 HZ3 LYS 39 6.024 5.623 14.819 340 H PHE 40 HN PHE 40 7.120 4.141 7.357 341 HA PHE 40 HA PHE 40 9.718 5.513 7.194 342 HB2 PHE 40 HB2 PHE 40 8.370 3.527 5.506 343 HB3 PHE 40 HB1 PHE 40 9.045 4.880 4.605 344 HD1 PHE 40 HD1 PHE 40 9.880 2.191 7.000 345 HD2 PHE 40 HD2 PHE 40 11.349 5.047 4.221 346 HE1 PHE 40 HE1 PHE 40 12.109 1.158 7.126 347 HE2 PHE 40 HE2 PHE 40 13.584 4.026 4.341 348 HZ PHE 40 HZ PHE 40 13.969 2.076 5.796 349 H LEU 41 HN LEU 41 6.604 6.271 7.426 350 HA LEU 41 HA LEU 41 5.958 7.923 5.289 351 HB2 LEU 41 HB2 LEU 41 5.212 8.323 8.184 352 HB3 LEU 41 HB1 LEU 41 4.393 9.026 6.804 353 HG LEU 41 HG LEU 41 4.523 6.078 7.441 354 HD11 LEU 41 HD11 LEU 41 3.137 7.345 9.010 355 HD12 LEU 41 HD12 LEU 41 2.161 6.303 7.974 356 HD13 LEU 41 HD13 LEU 41 2.242 8.037 7.656 357 HD21 LEU 41 HD21 LEU 41 3.078 7.588 5.267 358 HD22 LEU 41 HD22 LEU 41 2.830 5.885 5.655 359 HD23 LEU 41 HD23 LEU 41 4.396 6.433 5.056 360 H GLU 42 HN GLU 42 7.736 8.703 8.250 361 HA GLU 42 HA GLU 42 8.081 11.464 7.424 362 HB2 GLU 42 HB2 GLU 42 9.292 11.720 9.552 363 HB3 GLU 42 HB1 GLU 42 7.702 11.005 9.784 364 HG2 GLU 42 HG2 GLU 42 8.547 8.969 10.381 365 HG3 GLU 42 HG1 GLU 42 10.037 9.197 9.466 366 H GLU 43 HN GLU 43 9.613 8.583 6.755 367 HA GLU 43 HA GLU 43 12.278 9.775 6.551 368 HB2 GLU 43 HB2 GLU 43 11.421 6.931 5.965 369 HB3 GLU 43 HB1 GLU 43 13.072 7.526 6.071 370 HG2 GLU 43 HG2 GLU 43 12.548 8.133 8.472 371 HG3 GLU 43 HG1 GLU 43 11.074 7.186 8.285 372 H HIS 44 HN HIS 44 9.538 8.944 4.706 373 HA HIS 44 HA HIS 44 10.776 8.696 2.156 374 HB2 HIS 44 HB2 HIS 44 8.609 7.680 2.619 375 HB3 HIS 44 HB1 HIS 44 7.906 9.257 2.947 376 HD1 HIS 44 HD1 HIS 44 7.072 10.598 0.939 377 HD2 HIS 44 HD2 HIS 44 9.187 7.179 -0.112 378 HE1 HIS 44 HE1 HIS 44 6.795 10.333 -1.558 379 HA PRO 45 HA PRO 45 11.359 13.069 1.489 380 HB2 PRO 45 HB2 PRO 45 12.239 12.907 -1.064 381 HB3 PRO 45 HB1 PRO 45 13.249 12.447 0.318 382 HG2 PRO 45 HG2 PRO 45 11.705 10.698 -1.541 383 HG3 PRO 45 HG1 PRO 45 13.334 10.469 -0.875 384 HD2 PRO 45 HD2 PRO 45 11.135 9.216 0.115 385 HD3 PRO 45 HD1 PRO 45 12.551 9.626 1.101 386 H GLY 46 HN GLY 46 9.501 14.188 1.334 387 HA2 GLY 46 HA2 GLY 46 8.310 15.239 -0.740 388 HA3 GLY 46 HA1 GLY 46 7.641 13.618 -0.863 389 H GLY 47 HN GLY 47 7.660 13.351 2.098 390 HA2 GLY 47 HA2 GLY 47 6.514 14.666 3.874 391 HA3 GLY 47 HA1 GLY 47 5.331 15.081 2.642 392 H GLU 48 HN GLU 48 4.591 13.931 5.044 393 HA GLU 48 HA GLU 48 4.087 11.106 4.471 394 HB2 GLU 48 HB2 GLU 48 3.126 11.116 6.809 395 HB3 GLU 48 HB1 GLU 48 4.842 11.490 6.707 396 HG2 GLU 48 HG2 GLU 48 4.557 13.643 7.356 397 HG3 GLU 48 HG1 GLU 48 2.950 13.759 6.642 398 H GLU 49 HN GLU 49 2.512 14.182 4.414 399 HA GLU 49 HA GLU 49 -0.155 13.363 4.782 400 HB2 GLU 49 HB2 GLU 49 0.516 15.711 4.872 401 HB3 GLU 49 HB1 GLU 49 0.921 15.675 3.162 402 HG2 GLU 49 HG2 GLU 49 -1.257 15.702 2.500 403 HG3 GLU 49 HG1 GLU 49 -1.829 14.906 3.964 404 H VAL 50 HN VAL 50 1.795 13.706 1.846 405 HA VAL 50 HA VAL 50 -0.215 13.051 0.005 406 HB VAL 50 HB VAL 50 1.628 12.504 -1.562 407 HG11 VAL 50 HG11 VAL 50 2.720 14.747 -1.486 408 HG12 VAL 50 HG12 VAL 50 1.933 15.021 0.069 409 HG13 VAL 50 HG13 VAL 50 0.960 14.797 -1.384 410 HG21 VAL 50 HG21 VAL 50 3.958 12.808 -0.823 411 HG22 VAL 50 HG22 VAL 50 3.177 11.443 -0.024 412 HG23 VAL 50 HG23 VAL 50 3.396 12.964 0.843 413 H LEU 51 HN LEU 51 1.590 11.091 2.171 414 HA LEU 51 HA LEU 51 1.041 8.625 0.746 415 HB2 LEU 51 HB2 LEU 51 2.327 9.076 3.440 416 HB3 LEU 51 HB1 LEU 51 2.254 7.548 2.583 417 HG LEU 51 HG LEU 51 3.711 10.001 1.597 418 HD11 LEU 51 HD11 LEU 51 4.732 7.506 2.938 419 HD12 LEU 51 HD12 LEU 51 4.791 9.148 3.573 420 HD13 LEU 51 HD13 LEU 51 5.744 8.717 2.155 421 HD21 LEU 51 HD21 LEU 51 3.654 7.160 0.585 422 HD22 LEU 51 HD22 LEU 51 4.707 8.438 -0.016 423 HD23 LEU 51 HD23 LEU 51 2.962 8.571 -0.214 424 H ARG 52 HN ARG 52 -0.033 10.350 3.638 425 HA ARG 52 HA ARG 52 -1.650 8.213 4.601 426 HB2 ARG 52 HB2 ARG 52 -2.125 9.546 6.374 427 HB3 ARG 52 HB1 ARG 52 -0.727 10.426 5.776 428 HG2 ARG 52 HG2 ARG 52 -2.118 12.060 4.727 429 HG3 ARG 52 HG1 ARG 52 -3.567 11.109 5.058 430 HD2 ARG 52 HD2 ARG 52 -3.456 12.884 6.660 431 HD3 ARG 52 HD1 ARG 52 -3.108 11.370 7.489 432 HE ARG 52 HE ARG 52 -0.822 12.002 7.616 433 HH11 ARG 52 HH11 ARG 52 -2.975 14.508 6.399 434 HH12 ARG 52 HH12 ARG 52 -1.768 15.828 6.647 435 HH21 ARG 52 HH21 ARG 52 0.715 13.641 8.004 436 HH22 ARG 52 HH22 ARG 52 0.277 15.347 7.581 437 H GLU 53 HN GLU 53 -2.186 10.825 2.339 438 HA GLU 53 HA GLU 53 -5.046 10.499 2.357 439 HB2 GLU 53 HB2 GLU 53 -5.072 12.116 0.545 440 HB3 GLU 53 HB1 GLU 53 -4.037 12.677 1.846 441 HG2 GLU 53 HG2 GLU 53 -2.072 12.111 0.610 442 HG3 GLU 53 HG1 GLU 53 -3.034 11.335 -0.647 443 H GLN 54 HN GLN 54 -2.569 8.684 1.135 444 HA GLN 54 HA GLN 54 -4.315 7.531 -0.945 445 HB2 GLN 54 HB2 GLN 54 -1.298 7.736 -0.881 446 HB3 GLN 54 HB1 GLN 54 -2.181 6.729 -2.019 447 HG2 GLN 54 HG2 GLN 54 -2.513 9.709 -1.775 448 HG3 GLN 54 HG1 GLN 54 -1.455 8.914 -2.940 449 HE21 GLN 54 HE21 GLN 54 -4.731 9.630 -2.059 450 HE22 GLN 54 HE22 GLN 54 -5.456 9.123 -3.544 451 H ALA 55 HN ALA 55 -3.332 7.117 2.067 452 HA ALA 55 HA ALA 55 -2.240 4.527 2.206 453 HB1 ALA 55 HB1 ALA 55 -3.921 5.938 4.274 454 HB2 ALA 55 HB2 ALA 55 -2.184 6.158 4.058 455 HB3 ALA 55 HB3 ALA 55 -2.818 4.587 4.552 456 H GLY 56 HN GLY 56 -3.125 2.625 1.800 457 HA2 GLY 56 HA2 GLY 56 -4.740 0.940 1.897 458 HA3 GLY 56 HA1 GLY 56 -5.921 2.133 2.421 459 H GLY 57 HN GLY 57 -4.127 3.119 -0.287 460 HA2 GLY 57 HA2 GLY 57 -6.206 2.114 -2.119 461 HA3 GLY 57 HA1 GLY 57 -5.771 3.815 -2.102 462 H ASP 58 HN ASP 58 -5.568 2.751 -4.452 463 HA ASP 58 HA ASP 58 -2.898 1.674 -4.873 464 HB2 ASP 58 HB2 ASP 58 -4.619 0.631 -6.176 465 HB3 ASP 58 HB1 ASP 58 -5.210 2.185 -6.748 466 H ALA 59 HN ALA 59 -1.264 3.033 -4.982 467 HA ALA 59 HA ALA 59 -1.745 5.726 -6.075 468 HB1 ALA 59 HB1 ALA 59 0.191 6.463 -4.793 469 HB2 ALA 59 HB2 ALA 59 0.449 4.819 -4.211 470 HB3 ALA 59 HB3 ALA 59 -1.006 5.703 -3.745 471 H THR 60 HN THR 60 -0.985 3.068 -7.438 472 HA THR 60 HA THR 60 1.632 3.176 -8.385 473 HB THR 60 HB THR 60 -0.789 2.238 -9.938 474 HG1 THR 60 HG1 THR 60 -0.840 1.003 -8.154 475 HG21 THR 60 HG21 THR 60 2.125 1.459 -10.140 476 HG22 THR 60 HG22 THR 60 1.248 2.458 -11.299 477 HG23 THR 60 HG23 THR 60 0.800 0.766 -11.074 478 H GLU 61 HN GLU 61 -1.247 4.868 -9.466 479 HA GLU 61 HA GLU 61 -0.338 5.924 -11.872 480 HB2 GLU 61 HB2 GLU 61 -1.982 7.820 -11.333 481 HB3 GLU 61 HB1 GLU 61 -2.628 6.188 -11.428 482 HG2 GLU 61 HG2 GLU 61 -2.940 6.038 -9.135 483 HG3 GLU 61 HG1 GLU 61 -1.792 7.333 -8.797 484 H ASN 62 HN ASN 62 0.068 7.120 -8.572 485 HA ASN 62 HA ASN 62 1.411 9.530 -9.377 486 HB2 ASN 62 HB2 ASN 62 0.094 9.044 -7.178 487 HB3 ASN 62 HB1 ASN 62 1.608 8.331 -6.623 488 HD21 ASN 62 HD21 ASN 62 -0.144 11.180 -7.129 489 HD22 ASN 62 HD22 ASN 62 1.082 12.302 -6.649 490 H PHE 63 HN PHE 63 2.337 6.363 -8.177 491 HA PHE 63 HA PHE 63 5.065 6.760 -7.769 492 HB2 PHE 63 HB2 PHE 63 3.838 4.753 -7.049 493 HB3 PHE 63 HB1 PHE 63 3.621 4.275 -8.726 494 HD1 PHE 63 HD1 PHE 63 5.497 3.407 -10.025 495 HD2 PHE 63 HD2 PHE 63 5.928 4.422 -5.912 496 HE1 PHE 63 HE1 PHE 63 7.589 2.120 -9.931 497 HE2 PHE 63 HE2 PHE 63 8.024 3.139 -5.813 498 HZ PHE 63 HZ PHE 63 8.856 1.987 -7.823 499 H GLU 64 HN GLU 64 3.334 5.743 -10.701 500 HA GLU 64 HA GLU 64 5.757 5.626 -12.257 501 HB2 GLU 64 HB2 GLU 64 4.357 4.953 -14.076 502 HB3 GLU 64 HB1 GLU 64 3.775 4.141 -12.632 503 HG2 GLU 64 HG2 GLU 64 2.046 5.937 -12.431 504 HG3 GLU 64 HG1 GLU 64 2.558 6.514 -14.014 505 H ASP 65 HN ASP 65 3.549 8.059 -11.381 506 HA ASP 65 HA ASP 65 3.848 9.724 -13.697 507 HB2 ASP 65 HB2 ASP 65 1.954 9.746 -11.908 508 HB3 ASP 65 HB1 ASP 65 3.070 10.733 -10.973 509 H VAL 66 HN VAL 66 5.058 9.830 -10.378 510 HA VAL 66 HA VAL 66 6.728 12.057 -10.645 511 HB VAL 66 HB VAL 66 6.977 9.691 -8.776 512 HG11 VAL 66 HG11 VAL 66 9.087 10.939 -8.986 513 HG12 VAL 66 HG12 VAL 66 8.368 11.085 -7.381 514 HG13 VAL 66 HG13 VAL 66 8.237 12.416 -8.534 515 HG21 VAL 66 HG21 VAL 66 4.862 10.901 -8.596 516 HG22 VAL 66 HG22 VAL 66 5.746 12.411 -8.363 517 HG23 VAL 66 HG23 VAL 66 5.862 11.124 -7.161 518 H GLY 67 HN GLY 67 7.540 8.596 -10.814 519 HA2 GLY 67 HA2 GLY 67 9.077 7.708 -12.408 520 HA3 GLY 67 HA1 GLY 67 9.829 9.294 -12.519 521 H HIS 68 HN HIS 68 9.461 6.443 -10.518 522 HA HIS 68 HA HIS 68 11.506 7.311 -8.659 523 HB2 HIS 68 HB2 HIS 68 9.803 4.833 -8.875 524 HB3 HIS 68 HB1 HIS 68 11.126 4.950 -7.720 525 HD1 HIS 68 HD1 HIS 68 7.777 6.570 -8.500 526 HD2 HIS 68 HD2 HIS 68 10.593 6.331 -5.445 527 HE1 HIS 68 HE1 HIS 68 6.722 7.651 -6.472 528 H SER 69 HN SER 69 13.530 6.385 -8.420 529 HA SER 69 HA SER 69 14.782 5.512 -10.806 530 HB2 SER 69 HB2 SER 69 16.729 5.098 -9.144 531 HB3 SER 69 HB1 SER 69 16.159 6.752 -9.376 532 HG SER 69 HG SER 69 15.176 6.721 -7.432 533 H THR 70 HN THR 70 16.026 3.529 -11.051 534 HA THR 70 HA THR 70 14.472 1.225 -10.625 535 HB THR 70 HB THR 70 16.854 0.151 -11.209 536 HG1 THR 70 HG1 THR 70 18.117 1.642 -12.336 537 HG21 THR 70 HG21 THR 70 15.261 1.751 -13.213 538 HG22 THR 70 HG22 THR 70 14.795 0.161 -12.610 539 HG23 THR 70 HG23 THR 70 16.279 0.351 -13.545 540 H ASP 71 HN ASP 71 16.928 2.770 -8.756 541 HA ASP 71 HA ASP 71 17.633 0.555 -7.106 542 HB2 ASP 71 HB2 ASP 71 19.167 2.412 -7.296 543 HB3 ASP 71 HB1 ASP 71 17.938 3.545 -6.746 544 H ALA 72 HN ALA 72 15.312 3.183 -6.887 545 HA ALA 72 HA ALA 72 14.498 2.764 -4.223 546 HB1 ALA 72 HB1 ALA 72 12.944 3.989 -6.496 547 HB2 ALA 72 HB2 ALA 72 14.080 4.839 -5.447 548 HB3 ALA 72 HB3 ALA 72 12.591 4.168 -4.776 549 H ARG 73 HN ARG 73 13.147 1.576 -7.289 550 HA ARG 73 HA ARG 73 10.936 0.274 -6.115 551 HB2 ARG 73 HB2 ARG 73 10.726 -0.919 -8.265 552 HB3 ARG 73 HB1 ARG 73 10.910 0.815 -8.465 553 HG2 ARG 73 HG2 ARG 73 12.444 0.296 -9.991 554 HG3 ARG 73 HG1 ARG 73 13.498 -0.067 -8.621 555 HD2 ARG 73 HD2 ARG 73 13.406 -1.872 -10.331 556 HD3 ARG 73 HD1 ARG 73 12.911 -2.393 -8.719 557 HE ARG 73 HE ARG 73 10.824 -1.574 -10.591 558 HH11 ARG 73 HH11 ARG 73 12.571 -4.172 -8.963 559 HH12 ARG 73 HH12 ARG 73 11.258 -5.380 -9.258 560 HH21 ARG 73 HH21 ARG 73 9.155 -3.072 -10.983 561 HH22 ARG 73 HH22 ARG 73 9.353 -4.765 -10.396 562 H GLU 74 HN GLU 74 14.260 -0.642 -6.400 563 HA GLU 74 HA GLU 74 13.790 -3.453 -5.963 564 HB2 GLU 74 HB2 GLU 74 16.282 -1.753 -5.928 565 HB3 GLU 74 HB1 GLU 74 16.302 -3.471 -5.548 566 HG2 GLU 74 HG2 GLU 74 15.392 -2.247 -8.141 567 HG3 GLU 74 HG1 GLU 74 16.936 -3.049 -7.859 568 H LEU 75 HN LEU 75 14.312 -0.619 -4.050 569 HA LEU 75 HA LEU 75 15.035 -1.936 -1.627 570 HB2 LEU 75 HB2 LEU 75 15.495 0.468 -2.181 571 HB3 LEU 75 HB1 LEU 75 13.785 0.790 -1.979 572 HG LEU 75 HG LEU 75 14.015 -0.050 0.399 573 HD11 LEU 75 HD11 LEU 75 16.299 0.024 1.345 574 HD12 LEU 75 HD12 LEU 75 16.941 0.166 -0.294 575 HD13 LEU 75 HD13 LEU 75 16.071 -1.291 0.189 576 HD21 LEU 75 HD21 LEU 75 15.055 2.062 1.186 577 HD22 LEU 75 HD22 LEU 75 13.827 2.307 -0.057 578 HD23 LEU 75 HD23 LEU 75 15.538 2.402 -0.477 579 H SER 76 HN SER 76 12.093 -1.418 -3.307 580 HA SER 76 HA SER 76 10.309 -1.495 -1.099 581 HB2 SER 76 HB2 SER 76 9.645 -2.341 -3.911 582 HB3 SER 76 HB1 SER 76 8.580 -1.606 -2.713 583 HG SER 76 HG SER 76 10.503 0.104 -2.986 584 H LYS 77 HN LYS 77 12.237 -3.871 -2.526 585 HA LYS 77 HA LYS 77 10.549 -6.137 -2.253 586 HB2 LYS 77 HB2 LYS 77 12.845 -5.761 -3.532 587 HB3 LYS 77 HB1 LYS 77 13.510 -6.401 -2.034 588 HG2 LYS 77 HG2 LYS 77 12.177 -8.421 -2.281 589 HG3 LYS 77 HG1 LYS 77 11.457 -7.777 -3.758 590 HD2 LYS 77 HD2 LYS 77 13.751 -7.669 -4.740 591 HD3 LYS 77 HD1 LYS 77 14.354 -8.488 -3.297 592 HE2 LYS 77 HE2 LYS 77 12.870 -10.390 -3.774 593 HE3 LYS 77 HE1 LYS 77 12.303 -9.574 -5.231 594 HZ1 LYS 77 HZ1 LYS 77 13.990 -11.163 -5.798 595 HZ2 LYS 77 HZ2 LYS 77 15.076 -10.494 -4.690 596 HZ3 LYS 77 HZ3 LYS 77 14.602 -9.610 -6.053 597 H THR 78 HN THR 78 11.848 -4.163 0.087 598 HA THR 78 HA THR 78 11.902 -6.356 2.049 599 HB THR 78 HB THR 78 14.002 -4.911 1.749 600 HG1 THR 78 HG1 THR 78 13.083 -4.810 4.418 601 HG21 THR 78 HG21 THR 78 12.888 -2.727 1.656 602 HG22 THR 78 HG22 THR 78 14.051 -2.798 2.980 603 HG23 THR 78 HG23 THR 78 12.326 -2.942 3.312 604 H PHE 79 HN PHE 79 9.873 -4.161 0.834 605 HA PHE 79 HA PHE 79 8.590 -3.574 3.426 606 HB2 PHE 79 HB2 PHE 79 8.313 -2.097 0.796 607 HB3 PHE 79 HB1 PHE 79 7.445 -1.705 2.276 608 HD1 PHE 79 HD2 PHE 79 9.509 -1.860 4.321 609 HD2 PHE 79 HD1 PHE 79 9.712 -0.330 0.353 610 HE1 PHE 79 HE2 PHE 79 11.341 -0.362 4.993 611 HE2 PHE 79 HE1 PHE 79 11.545 1.164 1.018 612 HZ PHE 79 HZ PHE 79 12.362 1.154 3.339 613 H ILE 80 HN ILE 80 8.426 -5.455 0.693 614 HA ILE 80 HA ILE 80 5.595 -5.501 0.312 615 HB ILE 80 HB ILE 80 6.972 -6.075 -1.564 616 HG12 ILE 80 HG12 ILE 80 6.173 -8.528 -1.957 617 HG13 ILE 80 HG11 ILE 80 5.331 -8.315 -0.424 618 HG21 ILE 80 HG21 ILE 80 8.948 -6.865 -0.453 619 HG22 ILE 80 HG22 ILE 80 8.392 -8.097 -1.586 620 HG23 ILE 80 HG23 ILE 80 8.092 -8.288 0.141 621 HD11 ILE 80 HD11 ILE 80 3.870 -7.852 -2.295 622 HD12 ILE 80 HD12 ILE 80 4.986 -6.620 -2.885 623 HD13 ILE 80 HD13 ILE 80 4.150 -6.388 -1.348 624 H ILE 81 HN ILE 81 4.164 -6.461 1.569 625 HA ILE 81 HA ILE 81 5.044 -8.766 3.178 626 HB ILE 81 HB ILE 81 3.528 -8.197 4.929 627 HG12 ILE 81 HG12 ILE 81 1.790 -7.189 3.315 628 HG13 ILE 81 HG11 ILE 81 1.932 -6.473 4.915 629 HG21 ILE 81 HG21 ILE 81 5.076 -5.754 4.091 630 HG22 ILE 81 HG22 ILE 81 5.689 -7.117 5.022 631 HG23 ILE 81 HG23 ILE 81 4.452 -6.067 5.709 632 HD11 ILE 81 HD11 ILE 81 2.823 -5.376 2.281 633 HD12 ILE 81 HD12 ILE 81 3.491 -4.777 3.796 634 HD13 ILE 81 HD13 ILE 81 1.760 -4.654 3.487 635 H GLY 82 HN GLY 82 2.828 -7.599 0.837 636 HA2 GLY 82 HA2 GLY 82 1.815 -10.167 0.329 637 HA3 GLY 82 HA1 GLY 82 0.644 -9.285 1.293 638 H GLU 83 HN GLU 83 -0.520 -9.879 -0.769 639 HA GLU 83 HA GLU 83 -0.428 -7.559 -2.560 640 HB2 GLU 83 HB2 GLU 83 -0.400 -10.457 -3.372 641 HB3 GLU 83 HB1 GLU 83 -1.008 -9.205 -4.444 642 HG2 GLU 83 HG2 GLU 83 1.185 -8.086 -4.319 643 HG3 GLU 83 HG1 GLU 83 1.775 -9.423 -3.331 644 H LEU 84 HN LEU 84 -2.476 -7.907 -4.138 645 HA LEU 84 HA LEU 84 -4.739 -8.123 -2.311 646 HB2 LEU 84 HB2 LEU 84 -4.446 -6.991 -5.085 647 HB3 LEU 84 HB1 LEU 84 -6.006 -7.193 -4.317 648 HG LEU 84 HG LEU 84 -5.485 -4.947 -3.966 649 HD11 LEU 84 HD11 LEU 84 -5.229 -4.687 -1.605 650 HD12 LEU 84 HD12 LEU 84 -4.472 -6.273 -1.459 651 HD13 LEU 84 HD13 LEU 84 -6.174 -6.145 -1.905 652 HD21 LEU 84 HD21 LEU 84 -3.171 -5.011 -4.694 653 HD22 LEU 84 HD22 LEU 84 -2.701 -5.791 -3.183 654 HD23 LEU 84 HD23 LEU 84 -3.321 -4.140 -3.167 655 H HIS 85 HN HIS 85 -6.646 -9.275 -2.914 656 HA HIS 85 HA HIS 85 -6.186 -11.909 -3.769 657 HB2 HIS 85 HB2 HIS 85 -8.635 -10.258 -3.265 658 HB3 HIS 85 HB1 HIS 85 -8.806 -11.838 -4.017 659 HD1 HIS 85 HD1 HIS 85 -10.108 -12.664 -1.932 660 HD2 HIS 85 HD2 HIS 85 -6.182 -11.540 -1.177 661 HE1 HIS 85 HE1 HIS 85 -9.579 -13.558 0.353 662 HE2 HIS 85 HE2 HIS 85 -7.275 -12.685 0.870 663 HA PRO 86 HA PRO 86 -6.403 -11.765 -8.191 664 HB2 PRO 86 HB2 PRO 86 -7.937 -13.986 -8.723 665 HB3 PRO 86 HB1 PRO 86 -6.213 -14.040 -8.334 666 HG2 PRO 86 HG2 PRO 86 -8.553 -14.539 -6.557 667 HG3 PRO 86 HG1 PRO 86 -6.995 -15.387 -6.638 668 HD2 PRO 86 HD2 PRO 86 -7.522 -13.592 -4.714 669 HD3 PRO 86 HD1 PRO 86 -5.897 -13.774 -5.409 670 H ASP 87 HN ASP 87 -9.408 -12.305 -6.430 671 HA ASP 87 HA ASP 87 -11.177 -11.573 -8.520 672 HB2 ASP 87 HB2 ASP 87 -11.668 -11.404 -5.541 673 HB3 ASP 87 HB1 ASP 87 -12.891 -11.487 -6.803 674 H ASP 88 HN ASP 88 -9.559 -9.808 -5.974 675 HA ASP 88 HA ASP 88 -10.910 -7.321 -6.550 676 HB2 ASP 88 HB2 ASP 88 -8.516 -7.903 -4.784 677 HB3 ASP 88 HB1 ASP 88 -9.388 -6.376 -4.846 678 H ARG 89 HN ARG 89 -8.652 -9.023 -8.130 679 HA ARG 89 HA ARG 89 -7.074 -6.690 -8.947 680 HB2 ARG 89 HB2 ARG 89 -6.003 -8.865 -8.091 681 HB3 ARG 89 HB1 ARG 89 -6.464 -9.545 -9.644 682 HG2 ARG 89 HG2 ARG 89 -5.136 -7.865 -10.795 683 HG3 ARG 89 HG1 ARG 89 -4.693 -7.152 -9.240 684 HD2 ARG 89 HD2 ARG 89 -4.037 -9.934 -10.201 685 HD3 ARG 89 HD1 ARG 89 -2.912 -8.587 -10.050 686 HE ARG 89 HE ARG 89 -4.303 -9.532 -7.652 687 HH11 ARG 89 HH11 ARG 89 -1.336 -9.250 -9.535 688 HH12 ARG 89 HH12 ARG 89 -0.285 -9.688 -8.134 689 HH21 ARG 89 HH21 ARG 89 -2.977 -10.096 -5.858 690 HH22 ARG 89 HH22 ARG 89 -1.180 -10.169 -6.115 691 H SER 90 HN SER 90 -8.355 -9.655 -10.488 692 HA SER 90 HA SER 90 -9.035 -7.982 -12.818 693 HB2 SER 90 HB2 SER 90 -8.065 -10.849 -12.930 694 HB3 SER 90 HB1 SER 90 -8.386 -9.782 -14.297 695 HG SER 90 HG SER 90 -6.630 -8.565 -13.771 696 H LYS 91 HN LYS 91 -11.036 -8.078 -11.238 697 HA LYS 91 HA LYS 91 -12.994 -9.668 -12.575 698 HB2 LYS 91 HB2 LYS 91 -11.830 -11.105 -10.656 699 HB3 LYS 91 HB1 LYS 91 -12.963 -10.222 -9.643 700 HG2 LYS 91 HG2 LYS 91 -14.827 -11.064 -10.934 701 HG3 LYS 91 HG1 LYS 91 -13.723 -11.879 -12.041 702 HD2 LYS 91 HD2 LYS 91 -13.951 -12.466 -9.087 703 HD3 LYS 91 HD1 LYS 91 -14.731 -13.400 -10.362 704 HE2 LYS 91 HE2 LYS 91 -11.755 -12.991 -10.103 705 HE3 LYS 91 HE1 LYS 91 -12.625 -14.415 -9.546 706 HZ1 LYS 91 HZ1 LYS 91 -11.551 -14.616 -11.772 707 HZ2 LYS 91 HZ2 LYS 91 -12.665 -13.490 -12.356 708 HZ3 LYS 91 HZ3 LYS 91 -13.204 -14.975 -11.751 709 H LEU 92 HN LEU 92 -12.511 -8.138 -9.392 710 HA LEU 92 HA LEU 92 -13.553 -6.438 -8.320 711 HB2 LEU 92 HB2 LEU 92 -13.854 -5.631 -11.180 712 HB3 LEU 92 HB1 LEU 92 -14.682 -4.707 -9.944 713 HG LEU 92 HG LEU 92 -12.613 -3.605 -10.452 714 HD11 LEU 92 HD11 LEU 92 -11.644 -3.415 -8.299 715 HD12 LEU 92 HD12 LEU 92 -12.154 -5.041 -7.848 716 HD13 LEU 92 HD13 LEU 92 -13.354 -3.767 -8.057 717 HD21 LEU 92 HD21 LEU 92 -11.224 -6.203 -9.808 718 HD22 LEU 92 HD22 LEU 92 -10.439 -4.674 -10.208 719 HD23 LEU 92 HD23 LEU 92 -11.417 -5.506 -11.417 720 H SER 93 HN SER 93 -15.085 -8.890 -8.923 721 HA SER 93 HA SER 93 -17.807 -7.898 -9.193 722 HB2 SER 93 HB2 SER 93 -16.947 -10.752 -8.731 723 HB3 SER 93 HB1 SER 93 -18.461 -10.173 -9.430 724 HG SER 93 HG SER 93 -16.870 -9.173 -11.055 725 H LYS 94 HN LYS 94 -17.259 -6.685 -7.082 726 HA LYS 94 HA LYS 94 -18.291 -8.303 -4.866 727 HB2 LYS 94 HB2 LYS 94 -15.845 -6.543 -4.808 728 HB3 LYS 94 HB1 LYS 94 -16.714 -6.984 -3.344 729 HG2 LYS 94 HG2 LYS 94 -16.196 -9.269 -3.611 730 HG3 LYS 94 HG1 LYS 94 -15.638 -9.021 -5.267 731 HD2 LYS 94 HD2 LYS 94 -13.739 -9.300 -3.777 732 HD3 LYS 94 HD1 LYS 94 -13.777 -7.658 -4.417 733 HE2 LYS 94 HE2 LYS 94 -14.432 -6.746 -2.386 734 HE3 LYS 94 HE1 LYS 94 -15.051 -8.280 -1.781 735 HZ1 LYS 94 HZ1 LYS 94 -12.951 -7.624 -0.723 736 HZ2 LYS 94 HZ2 LYS 94 -12.176 -7.666 -2.237 737 HZ3 LYS 94 HZ3 LYS 94 -12.806 -9.087 -1.565 738 HA PRO 95 HA PRO 95 -20.989 -4.777 -4.553 739 HB2 PRO 95 HB2 PRO 95 -21.699 -5.623 -1.857 740 HB3 PRO 95 HB1 PRO 95 -22.681 -5.660 -3.326 741 HG2 PRO 95 HG2 PRO 95 -21.774 -7.902 -2.109 742 HG3 PRO 95 HG1 PRO 95 -22.092 -7.792 -3.851 743 HD2 PRO 95 HD2 PRO 95 -19.488 -7.693 -2.396 744 HD3 PRO 95 HD1 PRO 95 -19.893 -8.450 -3.951 745 H MET 96 HN MET 96 -20.860 -2.739 -3.747 746 HA MET 96 HA MET 96 -18.709 -2.246 -1.823 747 HB2 MET 96 HB2 MET 96 -18.562 -1.086 -3.986 748 HB3 MET 96 HB1 MET 96 -20.116 -0.324 -3.687 749 HG2 MET 96 HG2 MET 96 -19.182 0.837 -1.754 750 HG3 MET 96 HG1 MET 96 -17.620 0.076 -2.049 751 HE1 MET 96 HE1 MET 96 -20.401 2.324 -3.520 752 HE2 MET 96 HE2 MET 96 -20.016 1.422 -4.982 753 HE3 MET 96 HE3 MET 96 -19.614 3.134 -4.871 754 H GLU 97 HN GLU 97 -21.719 -0.484 -2.547 755 HA GLU 97 HA GLU 97 -23.341 0.412 -1.253 756 HB2 GLU 97 HB2 GLU 97 -23.680 -1.869 -0.409 757 HB3 GLU 97 HB1 GLU 97 -22.446 -1.605 0.815 758 HG2 GLU 97 HG2 GLU 97 -23.829 0.191 1.784 759 HG3 GLU 97 HG1 GLU 97 -25.077 -0.157 0.589 760 H THR 98 HN THR 98 -22.709 2.469 -0.921 761 HA THR 98 HA THR 98 -21.585 3.099 1.668 762 HB THR 98 HB THR 98 -19.605 2.775 0.127 763 HG1 THR 98 HG1 THR 98 -18.579 4.328 1.207 764 HG21 THR 98 HG21 THR 98 -20.699 5.283 -1.153 765 HG22 THR 98 HG22 THR 98 -20.548 3.700 -1.917 766 HG23 THR 98 HG23 THR 98 -19.103 4.596 -1.451 767 H LEU 99 HN LEU 99 -21.282 5.647 1.718 768 HA LEU 99 HA LEU 99 -22.303 7.665 1.805 769 HB2 LEU 99 HB2 LEU 99 -23.210 6.793 -0.926 770 HB3 LEU 99 HB1 LEU 99 -23.643 8.352 -0.254 771 HG LEU 99 HG LEU 99 -20.853 7.373 -0.866 772 HD11 LEU 99 HD11 LEU 99 -22.194 8.063 -2.808 773 HD12 LEU 99 HD12 LEU 99 -20.837 9.144 -2.509 774 HD13 LEU 99 HD13 LEU 99 -22.466 9.627 -2.044 775 HD21 LEU 99 HD21 LEU 99 -20.711 8.691 1.119 776 HD22 LEU 99 HD22 LEU 99 -21.800 9.910 0.455 777 HD23 LEU 99 HD23 LEU 99 -20.190 9.698 -0.232 778 H ILE 100 HN ILE 100 -23.623 5.393 2.964 779 HA ILE 100 HA ILE 100 -26.459 6.082 2.660 780 HB ILE 100 HB ILE 100 -26.864 4.005 4.016 781 HG12 ILE 100 HG12 ILE 100 -23.933 3.478 3.482 782 HG13 ILE 100 HG11 ILE 100 -24.583 3.957 5.046 783 HG21 ILE 100 HG21 ILE 100 -25.365 3.695 1.419 784 HG22 ILE 100 HG22 ILE 100 -27.096 3.964 1.613 785 HG23 ILE 100 HG23 ILE 100 -26.372 2.453 2.162 786 HD11 ILE 100 HD11 ILE 100 -24.197 1.566 4.953 787 HD12 ILE 100 HD12 ILE 100 -25.257 1.434 3.548 788 HD13 ILE 100 HD13 ILE 100 -25.918 1.915 5.111 789 H THR 101 HN THR 101 -24.502 7.736 4.100 790 HA THR 101 HA THR 101 -25.897 7.820 6.665 791 HB THR 101 HB THR 101 -22.936 8.306 6.607 792 HG1 THR 101 HG1 THR 101 -24.303 5.826 6.720 793 HG21 THR 101 HG21 THR 101 -23.107 7.778 8.974 794 HG22 THR 101 HG22 THR 101 -24.813 7.377 8.782 795 HG23 THR 101 HG23 THR 101 -24.264 9.037 8.551 796 H THR 102 HN THR 102 -26.558 9.811 7.167 797 HA THR 102 HA THR 102 -25.862 12.036 5.465 798 HB THR 102 HB THR 102 -27.430 12.554 7.916 799 HG1 THR 102 HG1 THR 102 -29.252 11.405 7.041 800 HG21 THR 102 HG21 THR 102 -27.206 14.154 6.031 801 HG22 THR 102 HG22 THR 102 -28.882 13.708 6.353 802 HG23 THR 102 HG23 THR 102 -28.026 12.992 4.988 803 H VAL 103 HN VAL 103 -23.764 12.623 5.856 804 HA VAL 103 HA VAL 103 -23.130 13.518 8.597 805 HB VAL 103 HB VAL 103 -20.703 13.124 7.951 806 HG11 VAL 103 HG11 VAL 103 -22.554 10.758 8.206 807 HG12 VAL 103 HG12 VAL 103 -21.825 11.678 9.519 808 HG13 VAL 103 HG13 VAL 103 -20.810 10.709 8.457 809 HG21 VAL 103 HG21 VAL 103 -20.280 11.482 6.188 810 HG22 VAL 103 HG22 VAL 103 -21.026 12.938 5.542 811 HG23 VAL 103 HG23 VAL 103 -21.991 11.484 5.771 812 H ASP 104 HN ASP 104 -24.322 15.015 6.377 813 HA ASP 104 HA ASP 104 -22.240 16.762 5.401 814 HB2 ASP 104 HB2 ASP 104 -25.235 17.130 5.186 815 HB3 ASP 104 HB1 ASP 104 -24.000 17.955 4.244 816 HHB HEM 400 HB HEM 400 11.585 4.996 -2.171 817 HHC HEM 400 HC HEM 400 5.265 4.923 -2.440 818 HHD HEM 400 HD HEM 400 5.286 10.924 -4.458 819 HMA HEM 400 HMA1 HEM 400 13.903 5.672 -3.250 820 HMAA HEM 400 HMA2 HEM 400 13.658 6.139 -1.567 821 HMAB HEM 400 HMA3 HEM 400 14.695 7.108 -2.615 822 HAA HEM 400 HAA1 HEM 400 14.343 9.669 -2.825 823 HAAA HEM 400 HAA2 HEM 400 13.534 10.341 -4.232 824 HBA HEM 400 HBA1 HEM 400 14.766 7.645 -4.535 825 HBAA HEM 400 HBA2 HEM 400 15.845 9.036 -4.437 826 HMB HEM 400 HMB1 HEM 400 10.399 2.385 -2.340 827 HMBA HEM 400 HMB2 HEM 400 9.419 2.202 -0.881 828 HMBB HEM 400 HMB3 HEM 400 10.801 3.297 -0.895 829 HAB HEM 400 HAB HEM 400 6.297 2.420 -2.343 830 HBB HEM 400 HBB1 HEM 400 7.414 2.822 0.548 831 HBBA HEM 400 HBB2 HEM 400 6.135 1.532 -0.081 832 HMC HEM 400 HMC1 HEM 400 2.154 6.980 -3.246 833 HMCA HEM 400 HMC2 HEM 400 3.051 6.063 -2.031 834 HMCB HEM 400 HMC3 HEM 400 3.077 5.572 -3.727 835 HAC HEM 400 HAC HEM 400 3.041 9.908 -4.886 836 HBC HEM 400 HBC1 HEM 400 2.017 9.045 -2.059 837 HBCA HEM 400 HBC2 HEM 400 1.185 10.215 -3.334 838 HMD HEM 400 HMD1 HEM 400 6.040 13.081 -4.440 839 HMDA HEM 400 HMD2 HEM 400 6.561 12.919 -6.119 840 HMDB HEM 400 HMD3 HEM 400 7.433 13.980 -5.011 841 HAD HEM 400 HAD1 HEM 400 9.710 13.935 -4.438 842 HADA HEM 400 HAD2 HEM 400 11.044 12.828 -4.711 843 HBD HEM 400 HBD1 HEM 400 9.053 13.817 -6.764 844 HBDA HEM 400 HBD2 HEM 400 10.254 12.564 -7.074 845 HHA HEM 400 HA HEM 400 11.622 10.944 -4.328 Start of MODEL 22 1 H1 MET 1 HT1 MET 1 20.123 -14.406 16.798 2 H2 MET 1 HT2 MET 1 21.452 -14.429 17.841 3 H3 MET 1 HT3 MET 1 21.034 -13.000 17.036 4 HA MET 1 HA MET 1 19.416 -14.379 19.093 5 HB2 MET 1 HB2 MET 1 21.372 -13.254 20.029 6 HB3 MET 1 HB1 MET 1 20.951 -11.775 19.177 7 HG2 MET 1 HG2 MET 1 18.959 -11.524 20.495 8 HG3 MET 1 HG1 MET 1 19.234 -13.081 21.274 9 HE1 MET 1 HE1 MET 1 18.732 -10.237 22.846 10 HE2 MET 1 HE2 MET 1 19.842 -10.534 24.182 11 HE3 MET 1 HE3 MET 1 18.838 -11.844 23.563 12 H ALA 2 HN ALA 2 19.768 -11.269 17.360 13 HA ALA 2 HA ALA 2 16.829 -11.159 17.204 14 HB1 ALA 2 HB1 ALA 2 17.776 -9.487 18.774 15 HB2 ALA 2 HB2 ALA 2 16.910 -8.763 17.419 16 HB3 ALA 2 HB3 ALA 2 18.673 -8.781 17.429 17 H ALA 3 HN ALA 3 17.604 -12.440 15.196 18 HA ALA 3 HA ALA 3 17.609 -10.542 12.976 19 HB1 ALA 3 HB1 ALA 3 19.947 -11.130 13.261 20 HB2 ALA 3 HB2 ALA 3 19.316 -11.835 11.775 21 HB3 ALA 3 HB3 ALA 3 19.546 -12.842 13.203 22 H GLN 4 HN GLN 4 16.351 -11.185 11.296 23 HA GLN 4 HA GLN 4 15.574 -13.956 11.017 24 HB2 GLN 4 HB2 GLN 4 13.178 -13.522 11.159 25 HB3 GLN 4 HB1 GLN 4 13.970 -13.132 12.677 26 HG2 GLN 4 HG2 GLN 4 13.894 -10.759 12.128 27 HG3 GLN 4 HG1 GLN 4 13.136 -11.132 10.580 28 HE21 GLN 4 HE21 GLN 4 11.274 -10.002 10.989 29 HE22 GLN 4 HE22 GLN 4 10.109 -10.492 12.171 30 H SER 5 HN SER 5 14.258 -14.297 9.066 31 HA SER 5 HA SER 5 14.245 -12.139 7.131 32 HB2 SER 5 HB2 SER 5 15.715 -14.727 6.556 33 HB3 SER 5 HB1 SER 5 15.543 -13.347 5.469 34 HG SER 5 HG SER 5 16.561 -12.277 7.546 35 H ASP 6 HN ASP 6 12.281 -12.215 6.240 36 HA ASP 6 HA ASP 6 11.177 -14.709 5.289 37 HB2 ASP 6 HB2 ASP 6 10.387 -14.846 7.563 38 HB3 ASP 6 HB1 ASP 6 9.842 -13.170 7.527 39 H LYS 7 HN LYS 7 9.697 -14.416 3.676 40 HA LYS 7 HA LYS 7 8.646 -11.743 3.173 41 HB2 LYS 7 HB2 LYS 7 10.632 -13.155 1.473 42 HB3 LYS 7 HB1 LYS 7 9.293 -12.382 0.635 43 HG2 LYS 7 HG2 LYS 7 11.082 -10.972 2.604 44 HG3 LYS 7 HG1 LYS 7 11.331 -10.967 0.856 45 HD2 LYS 7 HD2 LYS 7 9.766 -9.407 0.552 46 HD3 LYS 7 HD1 LYS 7 8.608 -10.266 1.568 47 HE2 LYS 7 HE2 LYS 7 10.869 -8.643 2.706 48 HE3 LYS 7 HE1 LYS 7 9.302 -7.934 2.318 49 HZ1 LYS 7 HZ1 LYS 7 9.686 -10.229 4.172 50 HZ2 LYS 7 HZ2 LYS 7 8.246 -9.380 3.884 51 HZ3 LYS 7 HZ3 LYS 7 9.535 -8.619 4.666 52 H ASP 8 HN ASP 8 7.353 -13.915 4.197 53 HA ASP 8 HA ASP 8 6.057 -15.529 2.254 54 HB2 ASP 8 HB2 ASP 8 6.231 -15.568 4.981 55 HB3 ASP 8 HB1 ASP 8 4.588 -14.974 4.756 56 H VAL 9 HN VAL 9 4.841 -14.675 0.695 57 HA VAL 9 HA VAL 9 3.522 -12.155 0.984 58 HB VAL 9 HB VAL 9 4.454 -12.773 -1.167 59 HG11 VAL 9 HG11 VAL 9 2.482 -15.044 -1.092 60 HG12 VAL 9 HG12 VAL 9 4.241 -15.138 -1.177 61 HG13 VAL 9 HG13 VAL 9 3.326 -14.520 -2.552 62 HG21 VAL 9 HG21 VAL 9 2.601 -11.227 -1.195 63 HG22 VAL 9 HG22 VAL 9 1.446 -12.560 -1.228 64 HG23 VAL 9 HG23 VAL 9 2.512 -12.282 -2.606 65 H LYS 10 HN LYS 10 1.573 -11.754 1.706 66 HA LYS 10 HA LYS 10 -0.284 -13.996 2.073 67 HB2 LYS 10 HB2 LYS 10 -0.254 -11.279 3.398 68 HB3 LYS 10 HB1 LYS 10 -1.403 -12.566 3.734 69 HG2 LYS 10 HG2 LYS 10 0.564 -13.987 4.408 70 HG3 LYS 10 HG1 LYS 10 1.540 -12.521 4.323 71 HD2 LYS 10 HD2 LYS 10 0.972 -12.395 6.517 72 HD3 LYS 10 HD1 LYS 10 -0.457 -11.608 5.847 73 HE2 LYS 10 HE2 LYS 10 -0.306 -14.567 6.370 74 HE3 LYS 10 HE1 LYS 10 -0.882 -13.411 7.567 75 HZ1 LYS 10 HZ1 LYS 10 -2.079 -13.935 4.899 76 HZ2 LYS 10 HZ2 LYS 10 -2.586 -12.715 5.949 77 HZ3 LYS 10 HZ3 LYS 10 -2.741 -14.334 6.403 78 H TYR 11 HN TYR 11 -2.582 -13.567 1.699 79 HA TYR 11 HA TYR 11 -2.943 -11.659 -0.510 80 HB2 TYR 11 HB2 TYR 11 -4.316 -14.271 0.119 81 HB3 TYR 11 HB1 TYR 11 -4.980 -13.116 -1.032 82 HD1 TYR 11 HD1 TYR 11 -3.875 -12.694 -3.162 83 HD2 TYR 11 HD2 TYR 11 -2.309 -15.545 -0.412 84 HE1 TYR 11 HE1 TYR 11 -2.437 -13.607 -4.938 85 HE2 TYR 11 HE2 TYR 11 -0.862 -16.463 -2.177 86 HH TYR 11 HH TYR 11 -0.480 -14.900 -5.254 87 H TYR 12 HN TYR 12 -3.761 -9.842 0.229 88 HA TYR 12 HA TYR 12 -5.622 -9.898 2.485 89 HB2 TYR 12 HB2 TYR 12 -4.149 -7.611 1.166 90 HB3 TYR 12 HB1 TYR 12 -5.260 -7.436 2.520 91 HD1 TYR 12 HD2 TYR 12 -4.692 -8.611 4.693 92 HD2 TYR 12 HD1 TYR 12 -1.884 -8.132 1.529 93 HE1 TYR 12 HE2 TYR 12 -2.856 -9.007 6.269 94 HE2 TYR 12 HE1 TYR 12 -0.038 -8.526 3.108 95 HH TYR 12 HH TYR 12 0.513 -8.687 5.302 96 H THR 13 HN THR 13 -7.423 -8.361 2.425 97 HA THR 13 HA THR 13 -8.843 -8.586 -0.119 98 HB THR 13 HB THR 13 -10.188 -7.423 2.265 99 HG1 THR 13 HG1 THR 13 -8.902 -9.112 3.182 100 HG21 THR 13 HG21 THR 13 -12.015 -8.874 1.518 101 HG22 THR 13 HG22 THR 13 -10.955 -9.596 0.306 102 HG23 THR 13 HG23 THR 13 -11.406 -7.895 0.184 103 H LEU 14 HN LEU 14 -9.911 -6.762 -1.065 104 HA LEU 14 HA LEU 14 -8.381 -4.437 -1.226 105 HB2 LEU 14 HB2 LEU 14 -9.907 -5.135 -2.983 106 HB3 LEU 14 HB1 LEU 14 -11.283 -4.863 -1.932 107 HG LEU 14 HG LEU 14 -10.568 -2.418 -1.857 108 HD11 LEU 14 HD11 LEU 14 -9.168 -1.611 -3.649 109 HD12 LEU 14 HD12 LEU 14 -8.951 -3.249 -4.260 110 HD13 LEU 14 HD13 LEU 14 -8.278 -2.797 -2.696 111 HD21 LEU 14 HD21 LEU 14 -11.666 -1.912 -3.962 112 HD22 LEU 14 HD22 LEU 14 -12.482 -3.247 -3.150 113 HD23 LEU 14 HD23 LEU 14 -11.411 -3.567 -4.515 114 H GLU 15 HN GLU 15 -11.481 -4.944 0.442 115 HA GLU 15 HA GLU 15 -11.442 -2.321 1.614 116 HB2 GLU 15 HB2 GLU 15 -13.412 -3.194 2.922 117 HB3 GLU 15 HB1 GLU 15 -13.589 -3.227 1.175 118 HG2 GLU 15 HG2 GLU 15 -12.576 -5.673 2.526 119 HG3 GLU 15 HG1 GLU 15 -14.284 -5.267 2.695 120 H GLU 16 HN GLU 16 -9.641 -4.962 2.295 121 HA GLU 16 HA GLU 16 -9.748 -4.749 5.198 122 HB2 GLU 16 HB2 GLU 16 -9.543 -6.978 4.361 123 HB3 GLU 16 HB1 GLU 16 -8.205 -6.530 3.315 124 HG2 GLU 16 HG2 GLU 16 -6.792 -6.161 5.261 125 HG3 GLU 16 HG1 GLU 16 -8.135 -6.582 6.322 126 H ILE 17 HN ILE 17 -7.468 -4.140 2.544 127 HA ILE 17 HA ILE 17 -5.447 -3.136 4.319 128 HB ILE 17 HB ILE 17 -4.288 -2.401 2.237 129 HG12 ILE 17 HG12 ILE 17 -6.583 -3.783 0.826 130 HG13 ILE 17 HG11 ILE 17 -6.372 -2.036 0.900 131 HG21 ILE 17 HG21 ILE 17 -3.827 -4.693 1.449 132 HG22 ILE 17 HG22 ILE 17 -5.230 -5.263 2.353 133 HG23 ILE 17 HG23 ILE 17 -3.851 -4.573 3.208 134 HD11 ILE 17 HD11 ILE 17 -5.589 -2.949 -1.211 135 HD12 ILE 17 HD12 ILE 17 -4.454 -3.986 -0.346 136 HD13 ILE 17 HD13 ILE 17 -4.265 -2.233 -0.292 137 H LYS 18 HN LYS 18 -7.980 -1.701 2.322 138 HA LYS 18 HA LYS 18 -7.014 0.976 2.804 139 HB2 LYS 18 HB2 LYS 18 -8.878 1.746 1.504 140 HB3 LYS 18 HB1 LYS 18 -8.174 0.356 0.695 141 HG2 LYS 18 HG2 LYS 18 -9.994 -0.973 1.092 142 HG3 LYS 18 HG1 LYS 18 -10.484 -0.073 2.527 143 HD2 LYS 18 HD2 LYS 18 -12.054 0.328 0.722 144 HD3 LYS 18 HD1 LYS 18 -11.164 1.811 1.077 145 HE2 LYS 18 HE2 LYS 18 -9.571 0.952 -0.809 146 HE3 LYS 18 HE1 LYS 18 -10.970 -0.007 -1.287 147 HZ1 LYS 18 HZ1 LYS 18 -10.877 2.113 -2.453 148 HZ2 LYS 18 HZ2 LYS 18 -10.937 2.944 -0.983 149 HZ3 LYS 18 HZ3 LYS 18 -12.259 2.018 -1.479 150 H LYS 19 HN LYS 19 -7.922 -0.871 5.018 151 HA LYS 19 HA LYS 19 -9.749 1.038 6.318 152 HB2 LYS 19 HB2 LYS 19 -10.542 -1.431 5.743 153 HB3 LYS 19 HB1 LYS 19 -9.644 -1.814 7.206 154 HG2 LYS 19 HG2 LYS 19 -11.726 -1.458 8.078 155 HG3 LYS 19 HG1 LYS 19 -11.046 0.163 8.212 156 HD2 LYS 19 HD2 LYS 19 -13.260 0.343 7.310 157 HD3 LYS 19 HD1 LYS 19 -12.107 0.722 6.029 158 HE2 LYS 19 HE2 LYS 19 -14.062 -0.794 5.420 159 HE3 LYS 19 HE1 LYS 19 -12.451 -1.341 4.959 160 HZ1 LYS 19 HZ1 LYS 19 -13.956 -2.240 7.355 161 HZ2 LYS 19 HZ2 LYS 19 -12.419 -2.775 6.896 162 HZ3 LYS 19 HZ3 LYS 19 -13.755 -3.128 5.930 163 H HIS 20 HN HIS 20 -6.687 0.100 6.164 164 HA HIS 20 HA HIS 20 -6.254 0.374 9.067 165 HB2 HIS 20 HB2 HIS 20 -4.787 -1.303 7.040 166 HB3 HIS 20 HB1 HIS 20 -4.030 -0.836 8.563 167 HD1 HIS 20 HD1 HIS 20 -6.379 -3.249 7.091 168 HD2 HIS 20 HD2 HIS 20 -5.385 -1.880 10.888 169 HE1 HIS 20 HE1 HIS 20 -7.332 -4.933 8.686 170 HE2 HIS 20 HE2 HIS 20 -6.979 -3.917 10.961 171 H ASN 21 HN ASN 21 -6.169 2.025 6.341 172 HA ASN 21 HA ASN 21 -3.564 3.208 6.407 173 HB2 ASN 21 HB2 ASN 21 -4.585 4.829 4.767 174 HB3 ASN 21 HB1 ASN 21 -4.661 3.141 4.288 175 HD21 ASN 21 HD21 ASN 21 -6.261 5.243 3.273 176 HD22 ASN 21 HD22 ASN 21 -7.905 4.895 3.678 177 H HIS 22 HN HIS 22 -3.677 3.666 8.735 178 HA HIS 22 HA HIS 22 -5.057 6.209 9.259 179 HB2 HIS 22 HB2 HIS 22 -4.403 3.922 11.103 180 HB3 HIS 22 HB1 HIS 22 -4.784 5.526 11.716 181 HD1 HIS 22 HD1 HIS 22 -6.459 2.651 11.795 182 HD2 HIS 22 HD2 HIS 22 -7.355 6.171 9.771 183 HE1 HIS 22 HE1 HIS 22 -8.934 2.589 11.395 184 HE2 HIS 22 HE2 HIS 22 -9.430 4.656 10.049 185 H SER 23 HN SER 23 -2.444 4.667 11.110 186 HA SER 23 HA SER 23 -0.574 6.699 10.197 187 HB2 SER 23 HB2 SER 23 -0.474 6.604 13.097 188 HB3 SER 23 HB1 SER 23 -0.582 8.002 12.026 189 HG SER 23 HG SER 23 -2.790 7.836 12.034 190 H LYS 24 HN LYS 24 -1.142 3.878 12.278 191 HA LYS 24 HA LYS 24 1.726 3.258 12.075 192 HB2 LYS 24 HB2 LYS 24 1.182 1.627 13.983 193 HB3 LYS 24 HB1 LYS 24 1.219 3.343 14.355 194 HG2 LYS 24 HG2 LYS 24 -1.306 3.303 14.009 195 HG3 LYS 24 HG1 LYS 24 -1.165 1.544 14.076 196 HD2 LYS 24 HD2 LYS 24 -0.151 1.701 16.286 197 HD3 LYS 24 HD1 LYS 24 -0.232 3.463 16.208 198 HE2 LYS 24 HE2 LYS 24 -2.752 3.129 15.866 199 HE3 LYS 24 HE1 LYS 24 -2.477 1.485 16.436 200 HZ1 LYS 24 HZ1 LYS 24 -1.957 2.203 18.533 201 HZ2 LYS 24 HZ2 LYS 24 -3.108 3.360 18.100 202 HZ3 LYS 24 HZ3 LYS 24 -1.461 3.736 18.026 203 H SER 25 HN SER 25 -0.596 2.705 10.189 204 HA SER 25 HA SER 25 0.225 0.011 9.513 205 HB2 SER 25 HB2 SER 25 -2.736 0.580 9.718 206 HB3 SER 25 HB1 SER 25 -1.934 -0.981 9.531 207 HG SER 25 HG SER 25 -0.980 -0.440 11.689 208 H THR 26 HN THR 26 0.565 2.653 8.440 209 HA THR 26 HA THR 26 -1.226 3.172 6.299 210 HB THR 26 HB THR 26 1.629 4.109 6.439 211 HG1 THR 26 HG1 THR 26 1.052 4.815 8.373 212 HG21 THR 26 HG21 THR 26 0.702 6.126 5.417 213 HG22 THR 26 HG22 THR 26 -0.913 5.418 5.472 214 HG23 THR 26 HG23 THR 26 0.328 4.706 4.439 215 H TRP 27 HN TRP 27 -1.490 1.625 4.804 216 HA TRP 27 HA TRP 27 0.888 0.471 3.518 217 HB2 TRP 27 HB2 TRP 27 -1.967 -0.499 3.707 218 HB3 TRP 27 HB1 TRP 27 -0.785 -1.222 2.622 219 HD1 TRP 27 HD1 TRP 27 1.531 -0.793 5.082 220 HE1 TRP 27 HE1 TRP 27 1.613 -2.652 6.850 221 HE3 TRP 27 HE3 TRP 27 -3.095 -2.828 4.306 222 HZ2 TRP 27 HZ2 TRP 27 -0.076 -4.713 7.798 223 HZ3 TRP 27 HZ3 TRP 27 -3.784 -4.745 5.690 224 HH2 TRP 27 HH2 TRP 27 -2.305 -5.666 7.399 225 H LEU 28 HN LEU 28 1.138 0.625 1.310 226 HA LEU 28 HA LEU 28 -0.849 2.277 -0.115 227 HB2 LEU 28 HB2 LEU 28 1.872 2.880 0.442 228 HB3 LEU 28 HB1 LEU 28 1.741 2.584 -1.281 229 HG LEU 28 HG LEU 28 -0.387 4.322 -0.338 230 HD11 LEU 28 HD11 LEU 28 1.154 5.053 1.333 231 HD12 LEU 28 HD12 LEU 28 1.103 6.275 0.063 232 HD13 LEU 28 HD13 LEU 28 2.462 5.155 0.156 233 HD21 LEU 28 HD21 LEU 28 0.527 5.751 -2.157 234 HD22 LEU 28 HD22 LEU 28 0.143 4.107 -2.665 235 HD23 LEU 28 HD23 LEU 28 1.818 4.570 -2.375 236 H ILE 29 HN ILE 29 -1.323 1.701 -2.219 237 HA ILE 29 HA ILE 29 -0.351 -0.945 -3.022 238 HB ILE 29 HB ILE 29 -2.644 0.635 -4.193 239 HG12 ILE 29 HG12 ILE 29 -2.817 -1.684 -2.267 240 HG13 ILE 29 HG11 ILE 29 -2.925 0.000 -1.765 241 HG21 ILE 29 HG21 ILE 29 -3.318 -1.611 -5.059 242 HG22 ILE 29 HG22 ILE 29 -1.754 -2.221 -4.521 243 HG23 ILE 29 HG23 ILE 29 -1.832 -0.968 -5.759 244 HD11 ILE 29 HD11 ILE 29 -4.806 -1.457 -3.601 245 HD12 ILE 29 HD12 ILE 29 -4.885 0.269 -3.247 246 HD13 ILE 29 HD13 ILE 29 -5.129 -0.908 -1.958 247 H LEU 30 HN LEU 30 1.153 -1.091 -4.529 248 HA LEU 30 HA LEU 30 1.264 0.923 -6.659 249 HB2 LEU 30 HB2 LEU 30 3.592 -0.007 -4.981 250 HB3 LEU 30 HB1 LEU 30 3.774 0.845 -6.502 251 HG LEU 30 HG LEU 30 2.293 2.010 -4.149 252 HD11 LEU 30 HD11 LEU 30 4.321 3.283 -3.689 253 HD12 LEU 30 HD12 LEU 30 5.175 2.382 -4.939 254 HD13 LEU 30 HD13 LEU 30 4.593 1.553 -3.498 255 HD21 LEU 30 HD21 LEU 30 3.467 3.205 -6.653 256 HD22 LEU 30 HD22 LEU 30 2.745 4.122 -5.331 257 HD23 LEU 30 HD23 LEU 30 1.753 3.017 -6.284 258 H HIS 31 HN HIS 31 1.098 -0.099 -8.524 259 HA HIS 31 HA HIS 31 1.270 -1.667 -10.162 260 HB2 HIS 31 HB2 HIS 31 3.738 -2.315 -8.562 261 HB3 HIS 31 HB1 HIS 31 3.295 -3.273 -9.966 262 HD1 HIS 31 HD1 HIS 31 4.338 -2.519 -12.062 263 HD2 HIS 31 HD2 HIS 31 3.936 0.598 -9.338 264 HE1 HIS 31 HE1 HIS 31 5.427 -0.527 -13.143 265 HE2 HIS 31 HE2 HIS 31 5.001 1.395 -11.567 266 H HIS 32 HN HIS 32 -0.447 -2.146 -7.968 267 HA HIS 32 HA HIS 32 -1.906 -3.731 -7.253 268 HB2 HIS 32 HB2 HIS 32 -0.363 -5.563 -9.097 269 HB3 HIS 32 HB1 HIS 32 -1.816 -6.036 -8.226 270 HD1 HIS 32 HD1 HIS 32 -0.679 -4.478 -11.316 271 HD2 HIS 32 HD2 HIS 32 -4.160 -4.501 -9.051 272 HE1 HIS 32 HE1 HIS 32 -2.480 -3.621 -12.841 273 HE2 HIS 32 HE2 HIS 32 -4.508 -3.399 -11.362 274 H LYS 33 HN LYS 33 1.055 -3.412 -6.255 275 HA LYS 33 HA LYS 33 1.043 -5.794 -4.522 276 HB2 LYS 33 HB2 LYS 33 3.379 -3.945 -5.031 277 HB3 LYS 33 HB1 LYS 33 3.412 -5.517 -4.248 278 HG2 LYS 33 HG2 LYS 33 2.534 -5.259 -7.094 279 HG3 LYS 33 HG1 LYS 33 4.248 -5.301 -6.678 280 HD2 LYS 33 HD2 LYS 33 3.953 -7.445 -5.585 281 HD3 LYS 33 HD1 LYS 33 2.218 -7.391 -5.904 282 HE2 LYS 33 HE2 LYS 33 2.572 -7.548 -8.259 283 HE3 LYS 33 HE1 LYS 33 4.312 -7.332 -8.067 284 HZ1 LYS 33 HZ1 LYS 33 3.489 -9.671 -8.443 285 HZ2 LYS 33 HZ2 LYS 33 2.875 -9.626 -6.865 286 HZ3 LYS 33 HZ3 LYS 33 4.534 -9.452 -7.133 287 H VAL 34 HN VAL 34 1.117 -5.522 -2.302 288 HA VAL 34 HA VAL 34 0.498 -2.820 -1.360 289 HB VAL 34 HB VAL 34 0.363 -5.369 0.253 290 HG11 VAL 34 HG11 VAL 34 -1.164 -4.096 1.662 291 HG12 VAL 34 HG12 VAL 34 -0.983 -2.693 0.606 292 HG13 VAL 34 HG13 VAL 34 0.399 -3.286 1.530 293 HG21 VAL 34 HG21 VAL 34 -1.088 -5.729 -1.607 294 HG22 VAL 34 HG22 VAL 34 -1.759 -4.103 -1.470 295 HG23 VAL 34 HG23 VAL 34 -2.095 -5.303 -0.221 296 H TYR 35 HN TYR 35 2.055 -1.632 -0.490 297 HA TYR 35 HA TYR 35 4.364 -3.017 0.710 298 HB2 TYR 35 HB2 TYR 35 4.246 -0.360 -0.731 299 HB3 TYR 35 HB1 TYR 35 5.660 -0.949 0.136 300 HD1 TYR 35 HD2 TYR 35 6.434 -3.392 -0.610 301 HD2 TYR 35 HD1 TYR 35 4.150 -0.722 -3.007 302 HE1 TYR 35 HE2 TYR 35 7.179 -4.576 -2.631 303 HE2 TYR 35 HE1 TYR 35 4.893 -1.900 -5.035 304 HH TYR 35 HH TYR 35 6.865 -3.330 -5.709 305 H ASP 36 HN ASP 36 4.961 -2.500 2.739 306 HA ASP 36 HA ASP 36 3.260 -0.641 4.218 307 HB2 ASP 36 HB2 ASP 36 3.760 -2.986 5.073 308 HB3 ASP 36 HB1 ASP 36 5.413 -2.448 5.339 309 H LEU 37 HN LEU 37 3.902 1.341 4.607 310 HA LEU 37 HA LEU 37 6.774 1.875 4.849 311 HB2 LEU 37 HB2 LEU 37 6.662 3.825 3.500 312 HB3 LEU 37 HB1 LEU 37 5.932 2.527 2.578 313 HG LEU 37 HG LEU 37 4.198 4.389 4.164 314 HD11 LEU 37 HD11 LEU 37 5.473 4.903 1.493 315 HD12 LEU 37 HD12 LEU 37 5.489 5.931 2.926 316 HD13 LEU 37 HD13 LEU 37 3.994 5.705 2.017 317 HD21 LEU 37 HD21 LEU 37 2.575 3.823 2.439 318 HD22 LEU 37 HD22 LEU 37 3.213 2.360 3.190 319 HD23 LEU 37 HD23 LEU 37 3.786 2.859 1.598 320 H THR 38 HN THR 38 4.378 1.556 6.658 321 HA THR 38 HA THR 38 3.708 4.107 7.688 322 HB THR 38 HB THR 38 2.681 1.639 8.051 323 HG1 THR 38 HG1 THR 38 2.443 3.779 9.931 324 HG21 THR 38 HG21 THR 38 4.169 2.242 10.613 325 HG22 THR 38 HG22 THR 38 4.479 0.882 9.532 326 HG23 THR 38 HG23 THR 38 2.947 0.985 10.402 327 H LYS 39 HN LYS 39 6.451 2.087 8.066 328 HA LYS 39 HA LYS 39 7.358 3.568 10.427 329 HB2 LYS 39 HB2 LYS 39 8.128 0.963 9.164 330 HB3 LYS 39 HB1 LYS 39 9.295 1.804 10.174 331 HG2 LYS 39 HG2 LYS 39 6.534 0.979 11.046 332 HG3 LYS 39 HG1 LYS 39 8.027 0.108 11.414 333 HD2 LYS 39 HD2 LYS 39 8.652 2.635 12.207 334 HD3 LYS 39 HD1 LYS 39 6.932 2.563 12.587 335 HE2 LYS 39 HE2 LYS 39 7.222 0.741 14.044 336 HE3 LYS 39 HE1 LYS 39 8.834 0.392 13.422 337 HZ1 LYS 39 HZ1 LYS 39 9.678 2.350 14.446 338 HZ2 LYS 39 HZ2 LYS 39 8.805 1.502 15.623 339 HZ3 LYS 39 HZ3 LYS 39 8.134 2.866 14.894 340 H PHE 40 HN PHE 40 7.380 4.042 7.250 341 HA PHE 40 HA PHE 40 10.051 5.282 7.279 342 HB2 PHE 40 HB2 PHE 40 8.762 3.688 5.062 343 HB3 PHE 40 HB1 PHE 40 10.121 4.769 4.782 344 HD1 PHE 40 HD1 PHE 40 9.074 1.785 6.743 345 HD2 PHE 40 HD2 PHE 40 12.301 4.017 5.098 346 HE1 PHE 40 HE1 PHE 40 10.628 -0.022 7.348 347 HE2 PHE 40 HE2 PHE 40 13.859 2.212 5.702 348 HZ PHE 40 HZ PHE 40 13.025 0.191 6.830 349 H LEU 41 HN LEU 41 7.022 6.060 7.504 350 HA LEU 41 HA LEU 41 6.359 7.681 5.323 351 HB2 LEU 41 HB2 LEU 41 5.581 7.822 8.228 352 HB3 LEU 41 HB1 LEU 41 4.922 8.914 7.027 353 HG LEU 41 HG LEU 41 4.671 5.915 6.866 354 HD11 LEU 41 HD11 LEU 41 3.538 6.734 8.859 355 HD12 LEU 41 HD12 LEU 41 2.375 6.219 7.634 356 HD13 LEU 41 HD13 LEU 41 2.685 7.940 7.890 357 HD21 LEU 41 HD21 LEU 41 3.258 8.147 5.405 358 HD22 LEU 41 HD22 LEU 41 2.916 6.426 5.238 359 HD23 LEU 41 HD23 LEU 41 4.475 7.066 4.726 360 H GLU 42 HN GLU 42 8.105 8.448 8.291 361 HA GLU 42 HA GLU 42 8.501 11.203 7.522 362 HB2 GLU 42 HB2 GLU 42 9.918 11.226 9.629 363 HB3 GLU 42 HB1 GLU 42 8.213 10.851 9.846 364 HG2 GLU 42 HG2 GLU 42 8.779 8.455 9.917 365 HG3 GLU 42 HG1 GLU 42 10.485 8.878 9.791 366 H GLU 43 HN GLU 43 9.966 8.290 6.786 367 HA GLU 43 HA GLU 43 12.634 9.443 6.464 368 HB2 GLU 43 HB2 GLU 43 11.707 6.612 5.940 369 HB3 GLU 43 HB1 GLU 43 13.370 7.179 5.967 370 HG2 GLU 43 HG2 GLU 43 12.626 7.933 8.414 371 HG3 GLU 43 HG1 GLU 43 11.542 6.559 8.193 372 H HIS 44 HN HIS 44 9.853 9.363 4.795 373 HA HIS 44 HA HIS 44 10.942 8.825 2.159 374 HB2 HIS 44 HB2 HIS 44 8.632 8.115 2.831 375 HB3 HIS 44 HB1 HIS 44 8.190 9.815 2.938 376 HD1 HIS 44 HD1 HIS 44 7.589 11.000 0.766 377 HD2 HIS 44 HD2 HIS 44 9.108 7.168 0.202 378 HE1 HIS 44 HE1 HIS 44 7.225 10.445 -1.671 379 HA PRO 45 HA PRO 45 12.063 13.087 1.586 380 HB2 PRO 45 HB2 PRO 45 12.553 13.006 -1.079 381 HB3 PRO 45 HB1 PRO 45 13.659 12.317 0.121 382 HG2 PRO 45 HG2 PRO 45 11.655 10.931 -1.598 383 HG3 PRO 45 HG1 PRO 45 13.305 10.438 -1.167 384 HD2 PRO 45 HD2 PRO 45 11.088 9.420 0.036 385 HD3 PRO 45 HD1 PRO 45 12.658 9.573 0.849 386 H GLY 46 HN GLY 46 11.269 14.995 0.576 387 HA2 GLY 46 HA2 GLY 46 9.753 16.263 -0.673 388 HA3 GLY 46 HA1 GLY 46 8.886 14.790 -1.078 389 H GLY 47 HN GLY 47 8.140 13.708 1.223 390 HA2 GLY 47 HA2 GLY 47 7.365 15.086 3.407 391 HA3 GLY 47 HA1 GLY 47 6.195 15.612 2.204 392 H GLU 48 HN GLU 48 5.106 14.456 4.268 393 HA GLU 48 HA GLU 48 4.708 11.624 3.585 394 HB2 GLU 48 HB2 GLU 48 3.857 11.339 5.843 395 HB3 GLU 48 HB1 GLU 48 5.448 12.085 5.892 396 HG2 GLU 48 HG2 GLU 48 4.321 14.293 6.148 397 HG3 GLU 48 HG1 GLU 48 2.789 13.432 6.292 398 H GLU 49 HN GLU 49 3.246 14.692 3.467 399 HA GLU 49 HA GLU 49 0.539 14.102 3.830 400 HB2 GLU 49 HB2 GLU 49 1.699 16.378 3.525 401 HB3 GLU 49 HB1 GLU 49 1.525 16.089 1.799 402 HG2 GLU 49 HG2 GLU 49 -0.305 17.426 2.448 403 HG3 GLU 49 HG1 GLU 49 -0.938 15.797 2.206 404 H VAL 50 HN VAL 50 2.533 13.961 0.918 405 HA VAL 50 HA VAL 50 0.477 13.274 -0.875 406 HB VAL 50 HB VAL 50 2.312 12.442 -2.352 407 HG11 VAL 50 HG11 VAL 50 3.464 14.670 -2.527 408 HG12 VAL 50 HG12 VAL 50 2.574 15.157 -1.083 409 HG13 VAL 50 HG13 VAL 50 1.701 14.721 -2.552 410 HG21 VAL 50 HG21 VAL 50 4.647 12.854 -1.626 411 HG22 VAL 50 HG22 VAL 50 3.851 11.579 -0.703 412 HG23 VAL 50 HG23 VAL 50 4.050 13.182 0.002 413 H LEU 51 HN LEU 51 2.173 11.410 1.469 414 HA LEU 51 HA LEU 51 1.521 8.868 0.223 415 HB2 LEU 51 HB2 LEU 51 2.757 9.437 2.915 416 HB3 LEU 51 HB1 LEU 51 2.668 7.876 2.124 417 HG LEU 51 HG LEU 51 4.183 10.219 0.989 418 HD11 LEU 51 HD11 LEU 51 6.191 9.002 1.805 419 HD12 LEU 51 HD12 LEU 51 5.121 7.949 2.729 420 HD13 LEU 51 HD13 LEU 51 5.189 9.672 3.092 421 HD21 LEU 51 HD21 LEU 51 4.216 7.268 0.373 422 HD22 LEU 51 HD22 LEU 51 5.270 8.478 -0.356 423 HD23 LEU 51 HD23 LEU 51 3.531 8.536 -0.641 424 H ARG 52 HN ARG 52 0.554 10.792 3.030 425 HA ARG 52 HA ARG 52 -1.161 8.842 4.142 426 HB2 ARG 52 HB2 ARG 52 -1.939 10.540 5.612 427 HB3 ARG 52 HB1 ARG 52 -0.223 10.807 5.366 428 HG2 ARG 52 HG2 ARG 52 -0.740 12.923 4.950 429 HG3 ARG 52 HG1 ARG 52 -1.411 12.366 3.416 430 HD2 ARG 52 HD2 ARG 52 -2.975 13.777 4.743 431 HD3 ARG 52 HD1 ARG 52 -3.602 12.173 4.374 432 HE ARG 52 HE ARG 52 -3.424 11.589 6.618 433 HH11 ARG 52 HH11 ARG 52 -2.209 14.854 6.015 434 HH12 ARG 52 HH12 ARG 52 -2.193 15.279 7.772 435 HH21 ARG 52 HH21 ARG 52 -3.399 12.101 8.844 436 HH22 ARG 52 HH22 ARG 52 -2.845 13.742 9.350 437 H GLU 53 HN GLU 53 -1.633 11.160 1.577 438 HA GLU 53 HA GLU 53 -4.514 10.838 1.655 439 HB2 GLU 53 HB2 GLU 53 -4.580 12.346 -0.250 440 HB3 GLU 53 HB1 GLU 53 -3.556 13.010 1.013 441 HG2 GLU 53 HG2 GLU 53 -1.680 12.870 -0.236 442 HG3 GLU 53 HG1 GLU 53 -2.212 11.408 -1.065 443 H GLN 54 HN GLN 54 -1.888 9.192 0.325 444 HA GLN 54 HA GLN 54 -3.595 7.917 -1.702 445 HB2 GLN 54 HB2 GLN 54 -0.585 8.022 -1.432 446 HB3 GLN 54 HB1 GLN 54 -1.429 7.031 -2.616 447 HG2 GLN 54 HG2 GLN 54 -1.661 10.028 -2.428 448 HG3 GLN 54 HG1 GLN 54 -0.576 9.172 -3.519 449 HE21 GLN 54 HE21 GLN 54 -3.890 9.975 -2.812 450 HE22 GLN 54 HE22 GLN 54 -4.548 9.462 -4.328 451 H ALA 55 HN ALA 55 -2.781 7.558 1.383 452 HA ALA 55 HA ALA 55 -1.885 4.888 1.599 453 HB1 ALA 55 HB1 ALA 55 -3.435 6.548 3.585 454 HB2 ALA 55 HB2 ALA 55 -1.680 6.528 3.409 455 HB3 ALA 55 HB3 ALA 55 -2.530 5.078 3.944 456 H GLY 56 HN GLY 56 -2.948 3.022 1.427 457 HA2 GLY 56 HA2 GLY 56 -4.719 1.522 1.498 458 HA3 GLY 56 HA1 GLY 56 -5.793 2.849 1.920 459 H GLY 57 HN GLY 57 -3.951 3.715 -0.725 460 HA2 GLY 57 HA2 GLY 57 -5.969 2.681 -2.607 461 HA3 GLY 57 HA1 GLY 57 -5.527 4.383 -2.600 462 H ASP 58 HN ASP 58 -5.245 3.251 -4.926 463 HA ASP 58 HA ASP 58 -2.548 2.198 -5.233 464 HB2 ASP 58 HB2 ASP 58 -4.415 1.168 -6.490 465 HB3 ASP 58 HB1 ASP 58 -4.696 2.704 -7.300 466 H ALA 59 HN ALA 59 -0.883 3.432 -5.684 467 HA ALA 59 HA ALA 59 -1.401 6.112 -6.797 468 HB1 ALA 59 HB1 ALA 59 0.536 6.927 -5.574 469 HB2 ALA 59 HB2 ALA 59 0.807 5.316 -4.904 470 HB3 ALA 59 HB3 ALA 59 -0.648 6.218 -4.473 471 H THR 60 HN THR 60 -0.696 3.414 -8.048 472 HA THR 60 HA THR 60 1.907 3.374 -9.000 473 HB THR 60 HB THR 60 -0.589 2.585 -10.524 474 HG1 THR 60 HG1 THR 60 -0.553 1.425 -8.640 475 HG21 THR 60 HG21 THR 60 2.283 1.708 -10.864 476 HG22 THR 60 HG22 THR 60 1.365 2.707 -11.987 477 HG23 THR 60 HG23 THR 60 0.899 1.029 -11.717 478 H GLU 61 HN GLU 61 -0.852 5.240 -10.161 479 HA GLU 61 HA GLU 61 0.238 6.230 -12.526 480 HB2 GLU 61 HB2 GLU 61 -1.366 8.171 -12.165 481 HB3 GLU 61 HB1 GLU 61 -2.081 6.567 -12.180 482 HG2 GLU 61 HG2 GLU 61 -2.026 6.611 -9.681 483 HG3 GLU 61 HG1 GLU 61 -1.517 8.295 -9.780 484 H ASN 62 HN ASN 62 0.642 7.316 -9.204 485 HA ASN 62 HA ASN 62 2.091 9.691 -9.970 486 HB2 ASN 62 HB2 ASN 62 1.871 8.418 -7.235 487 HB3 ASN 62 HB1 ASN 62 2.424 10.050 -7.590 488 HD21 ASN 62 HD21 ASN 62 0.296 9.250 -5.851 489 HD22 ASN 62 HD22 ASN 62 -1.153 9.974 -6.453 490 H PHE 63 HN PHE 63 2.811 6.439 -8.893 491 HA PHE 63 HA PHE 63 5.505 6.708 -8.242 492 HB2 PHE 63 HB2 PHE 63 3.996 4.676 -7.947 493 HB3 PHE 63 HB1 PHE 63 4.334 4.298 -9.630 494 HD1 PHE 63 HD2 PHE 63 5.729 4.479 -6.246 495 HD2 PHE 63 HD1 PHE 63 6.495 3.473 -10.314 496 HE1 PHE 63 HE2 PHE 63 7.776 3.298 -5.565 497 HE2 PHE 63 HE1 PHE 63 8.546 2.293 -9.636 498 HZ PHE 63 HZ PHE 63 9.188 2.205 -7.258 499 H GLU 64 HN GLU 64 4.035 5.877 -11.368 500 HA GLU 64 HA GLU 64 6.489 5.797 -12.796 501 HB2 GLU 64 HB2 GLU 64 3.853 6.425 -14.099 502 HB3 GLU 64 HB1 GLU 64 5.196 5.484 -14.728 503 HG2 GLU 64 HG2 GLU 64 3.455 4.593 -12.444 504 HG3 GLU 64 HG1 GLU 64 3.166 4.170 -14.128 505 H ASP 65 HN ASP 65 4.130 8.295 -12.108 506 HA ASP 65 HA ASP 65 5.027 10.249 -13.931 507 HB2 ASP 65 HB2 ASP 65 2.842 10.383 -12.838 508 HB3 ASP 65 HB1 ASP 65 3.617 10.587 -11.273 509 H VAL 66 HN VAL 66 5.835 9.665 -10.531 510 HA VAL 66 HA VAL 66 7.593 11.873 -10.268 511 HB VAL 66 HB VAL 66 7.397 9.304 -8.681 512 HG11 VAL 66 HG11 VAL 66 9.650 10.343 -8.525 513 HG12 VAL 66 HG12 VAL 66 8.774 10.308 -6.996 514 HG13 VAL 66 HG13 VAL 66 8.888 11.810 -7.913 515 HG21 VAL 66 HG21 VAL 66 5.435 10.827 -8.641 516 HG22 VAL 66 HG22 VAL 66 6.478 12.086 -7.984 517 HG23 VAL 66 HG23 VAL 66 6.195 10.608 -7.067 518 H GLY 67 HN GLY 67 8.030 8.555 -11.321 519 HA2 GLY 67 HA2 GLY 67 9.779 7.608 -12.493 520 HA3 GLY 67 HA1 GLY 67 10.529 9.199 -12.564 521 H HIS 68 HN HIS 68 9.793 6.644 -10.222 522 HA HIS 68 HA HIS 68 11.750 7.416 -8.343 523 HB2 HIS 68 HB2 HIS 68 10.167 4.903 -8.798 524 HB3 HIS 68 HB1 HIS 68 11.429 4.958 -7.572 525 HD1 HIS 68 HD1 HIS 68 8.264 6.913 -8.469 526 HD2 HIS 68 HD2 HIS 68 10.586 5.842 -5.187 527 HE1 HIS 68 HE1 HIS 68 7.052 7.774 -6.426 528 H SER 69 HN SER 69 13.813 6.730 -7.977 529 HA SER 69 HA SER 69 15.338 5.938 -10.225 530 HB2 SER 69 HB2 SER 69 17.213 5.805 -8.553 531 HB3 SER 69 HB1 SER 69 16.340 7.337 -8.555 532 HG SER 69 HG SER 69 15.285 6.747 -6.700 533 H THR 70 HN THR 70 16.898 4.091 -10.185 534 HA THR 70 HA THR 70 15.552 1.639 -10.066 535 HB THR 70 HB THR 70 18.510 1.595 -9.877 536 HG1 THR 70 HG1 THR 70 17.357 2.541 -12.284 537 HG21 THR 70 HG21 THR 70 16.534 0.444 -11.859 538 HG22 THR 70 HG22 THR 70 17.202 -0.401 -10.463 539 HG23 THR 70 HG23 THR 70 18.260 0.084 -11.789 540 H ASP 71 HN ASP 71 17.537 3.315 -7.728 541 HA ASP 71 HA ASP 71 17.878 1.078 -5.974 542 HB2 ASP 71 HB2 ASP 71 19.533 2.745 -5.775 543 HB3 ASP 71 HB1 ASP 71 18.342 4.041 -5.711 544 H ALA 72 HN ALA 72 15.596 3.708 -6.289 545 HA ALA 72 HA ALA 72 14.315 3.511 -3.813 546 HB1 ALA 72 HB1 ALA 72 13.010 4.297 -6.402 547 HB2 ALA 72 HB2 ALA 72 14.069 5.358 -5.478 548 HB3 ALA 72 HB3 ALA 72 12.555 4.793 -4.772 549 H ARG 73 HN ARG 73 13.461 2.007 -6.931 550 HA ARG 73 HA ARG 73 11.224 0.603 -5.946 551 HB2 ARG 73 HB2 ARG 73 11.481 -0.810 -8.005 552 HB3 ARG 73 HB1 ARG 73 11.393 0.919 -8.299 553 HG2 ARG 73 HG2 ARG 73 13.165 0.595 -9.606 554 HG3 ARG 73 HG1 ARG 73 14.079 0.537 -8.098 555 HD2 ARG 73 HD2 ARG 73 14.762 -1.389 -9.202 556 HD3 ARG 73 HD1 ARG 73 13.509 -1.979 -8.109 557 HE ARG 73 HE ARG 73 12.466 -1.288 -10.680 558 HH11 ARG 73 HH11 ARG 73 14.162 -3.786 -8.857 559 HH12 ARG 73 HH12 ARG 73 13.630 -5.105 -9.979 560 HH21 ARG 73 HH21 ARG 73 11.780 -2.924 -12.113 561 HH22 ARG 73 HH22 ARG 73 12.295 -4.624 -11.795 562 H GLU 74 HN GLU 74 14.605 -0.056 -5.777 563 HA GLU 74 HA GLU 74 14.356 -2.857 -5.237 564 HB2 GLU 74 HB2 GLU 74 16.615 -0.884 -4.918 565 HB3 GLU 74 HB1 GLU 74 16.764 -2.570 -4.436 566 HG2 GLU 74 HG2 GLU 74 16.156 -1.563 -7.207 567 HG3 GLU 74 HG1 GLU 74 17.702 -2.197 -6.643 568 H LEU 75 HN LEU 75 14.323 0.077 -3.359 569 HA LEU 75 HA LEU 75 14.780 -1.135 -0.826 570 HB2 LEU 75 HB2 LEU 75 15.112 1.282 -1.310 571 HB3 LEU 75 HB1 LEU 75 13.375 1.461 -1.458 572 HG LEU 75 HG LEU 75 13.149 0.748 0.918 573 HD11 LEU 75 HD11 LEU 75 15.155 0.798 2.335 574 HD12 LEU 75 HD12 LEU 75 16.157 0.946 0.893 575 HD13 LEU 75 HD13 LEU 75 15.204 -0.513 1.159 576 HD21 LEU 75 HD21 LEU 75 13.890 2.866 1.855 577 HD22 LEU 75 HD22 LEU 75 13.159 3.110 0.267 578 HD23 LEU 75 HD23 LEU 75 14.913 3.146 0.447 579 H SER 76 HN SER 76 11.964 -0.614 -2.826 580 HA SER 76 HA SER 76 10.011 -1.053 -0.817 581 HB2 SER 76 HB2 SER 76 9.511 -1.698 -3.701 582 HB3 SER 76 HB1 SER 76 8.452 -0.902 -2.533 583 HG SER 76 HG SER 76 9.254 0.946 -3.126 584 H LYS 77 HN LYS 77 12.174 -3.151 -2.321 585 HA LYS 77 HA LYS 77 10.684 -5.511 -2.596 586 HB2 LYS 77 HB2 LYS 77 12.970 -5.069 -3.498 587 HB3 LYS 77 HB1 LYS 77 13.601 -5.268 -1.872 588 HG2 LYS 77 HG2 LYS 77 12.863 -7.570 -1.830 589 HG3 LYS 77 HG1 LYS 77 12.123 -7.379 -3.423 590 HD2 LYS 77 HD2 LYS 77 14.299 -6.932 -4.403 591 HD3 LYS 77 HD1 LYS 77 15.059 -7.055 -2.816 592 HE2 LYS 77 HE2 LYS 77 14.343 -9.399 -2.672 593 HE3 LYS 77 HE1 LYS 77 13.601 -9.262 -4.265 594 HZ1 LYS 77 HZ1 LYS 77 15.722 -10.265 -4.523 595 HZ2 LYS 77 HZ2 LYS 77 16.486 -9.063 -3.618 596 HZ3 LYS 77 HZ3 LYS 77 15.841 -8.693 -5.131 597 H THR 78 HN THR 78 11.941 -3.937 0.241 598 HA THR 78 HA THR 78 11.459 -6.356 1.827 599 HB THR 78 HB THR 78 13.615 -5.211 2.179 600 HG1 THR 78 HG1 THR 78 11.741 -5.273 4.314 601 HG21 THR 78 HG21 THR 78 12.971 -2.908 1.764 602 HG22 THR 78 HG22 THR 78 13.649 -3.046 3.388 603 HG23 THR 78 HG23 THR 78 11.902 -2.922 3.169 604 H PHE 79 HN PHE 79 9.617 -3.956 0.719 605 HA PHE 79 HA PHE 79 8.179 -3.505 3.246 606 HB2 PHE 79 HB2 PHE 79 7.903 -2.061 0.600 607 HB3 PHE 79 HB1 PHE 79 7.015 -1.680 2.069 608 HD1 PHE 79 HD2 PHE 79 9.423 -2.089 3.957 609 HD2 PHE 79 HD1 PHE 79 8.908 0.062 0.322 610 HE1 PHE 79 HE2 PHE 79 11.218 -0.545 4.619 611 HE2 PHE 79 HE1 PHE 79 10.704 1.607 0.978 612 HZ PHE 79 HZ PHE 79 11.860 1.307 3.128 613 H ILE 80 HN ILE 80 8.074 -5.478 0.556 614 HA ILE 80 HA ILE 80 5.250 -5.531 0.130 615 HB ILE 80 HB ILE 80 6.588 -6.258 -1.694 616 HG12 ILE 80 HG12 ILE 80 5.857 -8.746 -1.898 617 HG13 ILE 80 HG11 ILE 80 5.049 -8.465 -0.360 618 HG21 ILE 80 HG21 ILE 80 8.604 -6.891 -0.584 619 HG22 ILE 80 HG22 ILE 80 8.054 -8.253 -1.561 620 HG23 ILE 80 HG23 ILE 80 7.805 -8.263 0.186 621 HD11 ILE 80 HD11 ILE 80 3.514 -8.174 -2.203 622 HD12 ILE 80 HD12 ILE 80 4.572 -6.957 -2.917 623 HD13 ILE 80 HD13 ILE 80 3.779 -6.641 -1.375 624 H ILE 81 HN ILE 81 3.830 -6.241 1.550 625 HA ILE 81 HA ILE 81 4.597 -8.494 3.285 626 HB ILE 81 HB ILE 81 3.031 -7.750 4.948 627 HG12 ILE 81 HG12 ILE 81 1.452 -6.719 3.165 628 HG13 ILE 81 HG11 ILE 81 1.529 -5.976 4.758 629 HG21 ILE 81 HG21 ILE 81 4.770 -5.475 4.022 630 HG22 ILE 81 HG22 ILE 81 5.256 -6.818 5.055 631 HG23 ILE 81 HG23 ILE 81 4.073 -5.647 5.633 632 HD11 ILE 81 HD11 ILE 81 3.252 -4.395 3.705 633 HD12 ILE 81 HD12 ILE 81 1.552 -4.179 3.295 634 HD13 ILE 81 HD13 ILE 81 2.634 -4.989 2.164 635 H GLY 82 HN GLY 82 2.735 -7.726 0.639 636 HA2 GLY 82 HA2 GLY 82 1.587 -10.167 0.299 637 HA3 GLY 82 HA1 GLY 82 0.422 -9.302 1.283 638 H GLU 83 HN GLU 83 -0.643 -10.060 -0.870 639 HA GLU 83 HA GLU 83 -0.720 -7.703 -2.625 640 HB2 GLU 83 HB2 GLU 83 -0.565 -10.606 -3.414 641 HB3 GLU 83 HB1 GLU 83 -1.266 -9.402 -4.485 642 HG2 GLU 83 HG2 GLU 83 0.854 -8.161 -4.438 643 HG3 GLU 83 HG1 GLU 83 1.551 -9.429 -3.430 644 H LEU 84 HN LEU 84 -2.778 -8.071 -4.147 645 HA LEU 84 HA LEU 84 -5.010 -8.428 -2.306 646 HB2 LEU 84 HB2 LEU 84 -4.708 -7.157 -5.010 647 HB3 LEU 84 HB1 LEU 84 -6.296 -7.572 -4.405 648 HG LEU 84 HG LEU 84 -6.100 -5.330 -3.841 649 HD11 LEU 84 HD11 LEU 84 -6.063 -5.223 -1.487 650 HD12 LEU 84 HD12 LEU 84 -4.970 -6.602 -1.364 651 HD13 LEU 84 HD13 LEU 84 -6.637 -6.842 -1.894 652 HD21 LEU 84 HD21 LEU 84 -3.798 -4.995 -4.457 653 HD22 LEU 84 HD22 LEU 84 -3.251 -5.886 -3.041 654 HD23 LEU 84 HD23 LEU 84 -4.066 -4.337 -2.843 655 H HIS 85 HN HIS 85 -6.894 -9.641 -2.934 656 HA HIS 85 HA HIS 85 -6.314 -12.239 -3.864 657 HB2 HIS 85 HB2 HIS 85 -8.987 -10.833 -3.627 658 HB3 HIS 85 HB1 HIS 85 -8.780 -12.561 -3.876 659 HD1 HIS 85 HD1 HIS 85 -9.527 -10.281 -1.328 660 HD2 HIS 85 HD2 HIS 85 -7.056 -13.619 -1.570 661 HE1 HIS 85 HE1 HIS 85 -9.179 -11.052 1.053 662 HE2 HIS 85 HE2 HIS 85 -7.727 -13.108 0.873 663 HA PRO 86 HA PRO 86 -6.651 -11.933 -8.265 664 HB2 PRO 86 HB2 PRO 86 -8.198 -14.170 -8.806 665 HB3 PRO 86 HB1 PRO 86 -6.446 -14.180 -8.587 666 HG2 PRO 86 HG2 PRO 86 -8.583 -14.907 -6.665 667 HG3 PRO 86 HG1 PRO 86 -6.974 -15.620 -6.886 668 HD2 PRO 86 HD2 PRO 86 -7.533 -13.958 -4.843 669 HD3 PRO 86 HD1 PRO 86 -5.936 -14.007 -5.614 670 H ASP 87 HN ASP 87 -9.575 -12.586 -6.405 671 HA ASP 87 HA ASP 87 -11.425 -11.733 -8.393 672 HB2 ASP 87 HB2 ASP 87 -11.601 -12.215 -5.431 673 HB3 ASP 87 HB1 ASP 87 -12.943 -11.472 -6.290 674 H ASP 88 HN ASP 88 -9.690 -10.157 -5.805 675 HA ASP 88 HA ASP 88 -11.119 -7.663 -6.084 676 HB2 ASP 88 HB2 ASP 88 -8.660 -8.437 -4.499 677 HB3 ASP 88 HB1 ASP 88 -9.358 -6.824 -4.480 678 H ARG 89 HN ARG 89 -8.821 -9.209 -7.861 679 HA ARG 89 HA ARG 89 -7.498 -6.718 -8.677 680 HB2 ARG 89 HB2 ARG 89 -6.147 -8.723 -7.832 681 HB3 ARG 89 HB1 ARG 89 -6.567 -9.498 -9.352 682 HG2 ARG 89 HG2 ARG 89 -5.513 -7.627 -10.564 683 HG3 ARG 89 HG1 ARG 89 -5.024 -6.933 -9.017 684 HD2 ARG 89 HD2 ARG 89 -4.136 -9.528 -10.256 685 HD3 ARG 89 HD1 ARG 89 -3.151 -8.123 -9.852 686 HE ARG 89 HE ARG 89 -4.496 -9.549 -7.678 687 HH11 ARG 89 HH11 ARG 89 -1.525 -8.719 -9.383 688 HH12 ARG 89 HH12 ARG 89 -0.474 -9.332 -8.048 689 HH21 ARG 89 HH21 ARG 89 -3.171 -10.336 -5.972 690 HH22 ARG 89 HH22 ARG 89 -1.370 -10.226 -6.176 691 H SER 90 HN SER 90 -8.690 -9.786 -10.114 692 HA SER 90 HA SER 90 -9.305 -8.229 -12.539 693 HB2 SER 90 HB2 SER 90 -8.917 -10.545 -13.685 694 HB3 SER 90 HB1 SER 90 -7.530 -9.551 -13.239 695 HG SER 90 HG SER 90 -8.543 -11.868 -11.982 696 H LYS 91 HN LYS 91 -11.328 -8.237 -10.885 697 HA LYS 91 HA LYS 91 -13.326 -9.733 -12.260 698 HB2 LYS 91 HB2 LYS 91 -12.362 -11.409 -10.595 699 HB3 LYS 91 HB1 LYS 91 -13.058 -10.401 -9.334 700 HG2 LYS 91 HG2 LYS 91 -15.265 -10.808 -10.100 701 HG3 LYS 91 HG1 LYS 91 -14.678 -11.570 -11.578 702 HD2 LYS 91 HD2 LYS 91 -14.050 -12.664 -8.851 703 HD3 LYS 91 HD1 LYS 91 -15.512 -13.112 -9.730 704 HE2 LYS 91 HE2 LYS 91 -12.733 -13.406 -10.854 705 HE3 LYS 91 HE1 LYS 91 -13.574 -14.688 -9.985 706 HZ1 LYS 91 HZ1 LYS 91 -13.860 -14.984 -12.327 707 HZ2 LYS 91 HZ2 LYS 91 -14.438 -13.409 -12.519 708 HZ3 LYS 91 HZ3 LYS 91 -15.351 -14.544 -11.661 709 H LEU 92 HN LEU 92 -12.818 -8.282 -9.042 710 HA LEU 92 HA LEU 92 -13.794 -6.549 -7.972 711 HB2 LEU 92 HB2 LEU 92 -14.011 -5.770 -10.811 712 HB3 LEU 92 HB1 LEU 92 -15.075 -4.918 -9.710 713 HG LEU 92 HG LEU 92 -13.019 -3.668 -10.078 714 HD11 LEU 92 HD11 LEU 92 -12.448 -3.218 -7.800 715 HD12 LEU 92 HD12 LEU 92 -13.027 -4.804 -7.289 716 HD13 LEU 92 HD13 LEU 92 -14.171 -3.594 -7.873 717 HD21 LEU 92 HD21 LEU 92 -11.642 -6.110 -8.968 718 HD22 LEU 92 HD22 LEU 92 -10.871 -4.548 -9.240 719 HD23 LEU 92 HD23 LEU 92 -11.503 -5.468 -10.605 720 H SER 93 HN SER 93 -15.438 -9.006 -8.980 721 HA SER 93 HA SER 93 -18.131 -7.967 -8.848 722 HB2 SER 93 HB2 SER 93 -17.233 -10.859 -8.796 723 HB3 SER 93 HB1 SER 93 -18.837 -10.248 -9.204 724 HG SER 93 HG SER 93 -17.291 -9.005 -10.842 725 H LYS 94 HN LYS 94 -17.700 -6.953 -6.722 726 HA LYS 94 HA LYS 94 -18.485 -8.794 -4.605 727 HB2 LYS 94 HB2 LYS 94 -15.858 -8.214 -4.796 728 HB3 LYS 94 HB1 LYS 94 -16.388 -6.844 -3.832 729 HG2 LYS 94 HG2 LYS 94 -16.869 -8.116 -2.020 730 HG3 LYS 94 HG1 LYS 94 -17.290 -9.532 -2.984 731 HD2 LYS 94 HD2 LYS 94 -15.300 -10.329 -2.302 732 HD3 LYS 94 HD1 LYS 94 -14.631 -9.265 -3.539 733 HE2 LYS 94 HE2 LYS 94 -15.139 -8.251 -0.771 734 HE3 LYS 94 HE1 LYS 94 -13.682 -9.173 -1.130 735 HZ1 LYS 94 HZ1 LYS 94 -13.422 -6.728 -1.292 736 HZ2 LYS 94 HZ2 LYS 94 -14.489 -6.736 -2.609 737 HZ3 LYS 94 HZ3 LYS 94 -13.009 -7.560 -2.718 738 HA PRO 95 HA PRO 95 -21.058 -5.209 -3.924 739 HB2 PRO 95 HB2 PRO 95 -22.645 -6.292 -2.028 740 HB3 PRO 95 HB1 PRO 95 -22.776 -6.736 -3.737 741 HG2 PRO 95 HG2 PRO 95 -21.482 -8.222 -1.507 742 HG3 PRO 95 HG1 PRO 95 -22.433 -8.840 -2.870 743 HD2 PRO 95 HD2 PRO 95 -19.689 -8.879 -2.760 744 HD3 PRO 95 HD1 PRO 95 -20.636 -8.909 -4.260 745 H MET 96 HN MET 96 -21.223 -3.569 -2.429 746 HA MET 96 HA MET 96 -19.718 -3.912 0.078 747 HB2 MET 96 HB2 MET 96 -18.381 -2.612 -1.506 748 HB3 MET 96 HB1 MET 96 -19.722 -1.500 -1.742 749 HG2 MET 96 HG2 MET 96 -19.542 -0.682 0.482 750 HG3 MET 96 HG1 MET 96 -18.379 -1.935 0.908 751 HE1 MET 96 HE1 MET 96 -19.037 1.346 -1.099 752 HE2 MET 96 HE2 MET 96 -18.538 0.266 -2.397 753 HE3 MET 96 HE3 MET 96 -17.501 1.609 -1.921 754 H GLU 97 HN GLU 97 -21.877 -1.594 -1.536 755 HA GLU 97 HA GLU 97 -23.734 -0.493 -0.896 756 HB2 GLU 97 HB2 GLU 97 -24.129 -3.047 0.005 757 HB3 GLU 97 HB1 GLU 97 -24.375 -2.100 1.467 758 HG2 GLU 97 HG2 GLU 97 -26.406 -2.597 0.017 759 HG3 GLU 97 HG1 GLU 97 -26.173 -0.937 0.561 760 H THR 98 HN THR 98 -23.064 1.428 -0.240 761 HA THR 98 HA THR 98 -22.653 1.799 2.639 762 HB THR 98 HB THR 98 -20.434 1.796 1.548 763 HG1 THR 98 HG1 THR 98 -19.795 3.907 2.341 764 HG21 THR 98 HG21 THR 98 -21.525 4.131 -0.026 765 HG22 THR 98 HG22 THR 98 -21.033 2.562 -0.669 766 HG23 THR 98 HG23 THR 98 -19.830 3.649 0.028 767 H LEU 99 HN LEU 99 -22.521 4.379 2.942 768 HA LEU 99 HA LEU 99 -23.715 6.303 3.067 769 HB2 LEU 99 HB2 LEU 99 -24.325 5.707 0.173 770 HB3 LEU 99 HB1 LEU 99 -24.562 7.253 0.964 771 HG LEU 99 HG LEU 99 -21.842 5.990 0.866 772 HD11 LEU 99 HD11 LEU 99 -22.581 6.022 -1.434 773 HD12 LEU 99 HD12 LEU 99 -21.397 7.302 -1.171 774 HD13 LEU 99 HD13 LEU 99 -23.111 7.695 -1.269 775 HD21 LEU 99 HD21 LEU 99 -21.170 8.395 0.920 776 HD22 LEU 99 HD22 LEU 99 -22.034 7.845 2.357 777 HD23 LEU 99 HD23 LEU 99 -22.871 8.808 1.137 778 H ILE 100 HN ILE 100 -25.096 4.679 4.411 779 HA ILE 100 HA ILE 100 -27.872 4.990 3.491 780 HB ILE 100 HB ILE 100 -28.289 2.798 4.838 781 HG12 ILE 100 HG12 ILE 100 -25.409 2.421 3.983 782 HG13 ILE 100 HG11 ILE 100 -25.977 2.541 5.645 783 HG21 ILE 100 HG21 ILE 100 -27.085 2.775 2.076 784 HG22 ILE 100 HG22 ILE 100 -28.773 3.083 2.477 785 HG23 ILE 100 HG23 ILE 100 -28.073 1.493 2.773 786 HD11 ILE 100 HD11 ILE 100 -25.525 0.233 4.978 787 HD12 ILE 100 HD12 ILE 100 -26.736 0.371 3.702 788 HD13 ILE 100 HD13 ILE 100 -27.222 0.481 5.394 789 H THR 101 HN THR 101 -26.133 6.502 5.333 790 HA THR 101 HA THR 101 -27.992 6.625 7.554 791 HB THR 101 HB THR 101 -25.054 6.495 8.207 792 HG1 THR 101 HG1 THR 101 -26.894 4.367 7.878 793 HG21 THR 101 HG21 THR 101 -25.890 5.970 10.449 794 HG22 THR 101 HG22 THR 101 -27.549 6.048 9.851 795 HG23 THR 101 HG23 THR 101 -26.545 7.499 9.863 796 H THR 102 HN THR 102 -28.370 8.711 8.029 797 HA THR 102 HA THR 102 -26.867 10.754 6.669 798 HB THR 102 HB THR 102 -29.035 11.194 8.717 799 HG1 THR 102 HG1 THR 102 -29.430 10.813 5.917 800 HG21 THR 102 HG21 THR 102 -27.872 13.200 8.001 801 HG22 THR 102 HG22 THR 102 -29.499 13.184 7.318 802 HG23 THR 102 HG23 THR 102 -28.114 12.767 6.311 803 H VAL 103 HN VAL 103 -24.822 10.457 7.664 804 HA VAL 103 HA VAL 103 -24.593 11.097 10.503 805 HB VAL 103 HB VAL 103 -22.105 10.700 10.052 806 HG11 VAL 103 HG11 VAL 103 -24.108 8.476 9.684 807 HG12 VAL 103 HG12 VAL 103 -23.446 9.074 11.206 808 HG13 VAL 103 HG13 VAL 103 -22.401 8.237 10.059 809 HG21 VAL 103 HG21 VAL 103 -21.547 9.397 8.070 810 HG22 VAL 103 HG22 VAL 103 -22.195 10.972 7.615 811 HG23 VAL 103 HG23 VAL 103 -23.208 9.534 7.493 812 H ASP 104 HN ASP 104 -25.286 12.992 8.235 813 HA ASP 104 HA ASP 104 -23.453 15.122 9.049 814 HB2 ASP 104 HB2 ASP 104 -23.100 15.892 6.835 815 HB3 ASP 104 HB1 ASP 104 -22.840 14.152 6.750 816 HHB HEM 400 HB HEM 400 11.176 4.607 -1.691 817 HHC HEM 400 HC HEM 400 4.954 5.263 -2.584 818 HHD HEM 400 HD HEM 400 5.885 11.159 -4.700 819 HMA HEM 400 HMA1 HEM 400 13.530 4.882 -2.569 820 HMAA HEM 400 HMA2 HEM 400 13.450 5.593 -0.964 821 HMAB HEM 400 HMA3 HEM 400 14.585 6.234 -2.148 822 HAA HEM 400 HAA1 HEM 400 14.679 8.580 -2.327 823 HAAA HEM 400 HAA2 HEM 400 13.943 9.677 -3.484 824 HBA HEM 400 HBA1 HEM 400 14.669 6.918 -4.393 825 HBAA HEM 400 HBA2 HEM 400 15.943 8.122 -4.211 826 HMB HEM 400 HMB1 HEM 400 9.688 2.146 -1.888 827 HMBA HEM 400 HMB2 HEM 400 8.597 2.173 -0.495 828 HMBB HEM 400 HMB3 HEM 400 10.108 3.086 -0.471 829 HAB HEM 400 HAB HEM 400 6.337 2.093 -1.872 830 HBB HEM 400 HBB1 HEM 400 4.883 4.429 -0.385 831 HBBA HEM 400 HBB2 HEM 400 4.337 2.597 -0.576 832 HMC HEM 400 HMC1 HEM 400 2.205 7.593 -3.809 833 HMCA HEM 400 HMC2 HEM 400 2.827 6.702 -2.417 834 HMCB HEM 400 HMC3 HEM 400 3.028 6.066 -4.053 835 HAC HEM 400 HAC HEM 400 3.662 10.527 -5.236 836 HBC HEM 400 HBC1 HEM 400 1.978 9.400 -2.854 837 HBCA HEM 400 HBC2 HEM 400 1.512 10.776 -4.108 838 HMD HEM 400 HMD1 HEM 400 6.764 13.020 -4.969 839 HMDA HEM 400 HMD2 HEM 400 7.873 13.105 -6.340 840 HMDB HEM 400 HMD3 HEM 400 8.259 13.928 -4.827 841 HAD HEM 400 HAD1 HEM 400 10.443 13.611 -5.147 842 HADA HEM 400 HAD2 HEM 400 11.589 12.721 -4.156 843 HBD HEM 400 HBD1 HEM 400 10.997 11.913 -7.001 844 HBDA HEM 400 HBD2 HEM 400 12.382 11.471 -6.002 845 HHA HEM 400 HA HEM 400 12.139 10.400 -4.036 Start of MODEL 23 1 H1 MET 1 HT1 MET 1 21.707 -12.782 16.797 2 H2 MET 1 HT2 MET 1 22.405 -12.364 18.276 3 H3 MET 1 HT3 MET 1 21.321 -11.308 17.524 4 HA MET 1 HA MET 1 20.685 -13.985 18.617 5 HB2 MET 1 HB2 MET 1 20.983 -11.622 19.987 6 HB3 MET 1 HB1 MET 1 19.265 -11.614 19.616 7 HG2 MET 1 HG2 MET 1 19.422 -12.629 21.707 8 HG3 MET 1 HG1 MET 1 19.205 -13.966 20.576 9 HE1 MET 1 HE1 MET 1 20.114 -14.503 23.439 10 HE2 MET 1 HE2 MET 1 21.547 -15.515 23.296 11 HE3 MET 1 HE3 MET 1 20.146 -15.826 22.276 12 H ALA 2 HN ALA 2 18.919 -10.985 17.875 13 HA ALA 2 HA ALA 2 16.900 -12.598 16.500 14 HB1 ALA 2 HB1 ALA 2 16.135 -11.075 18.266 15 HB2 ALA 2 HB2 ALA 2 15.455 -10.652 16.696 16 HB3 ALA 2 HB3 ALA 2 16.789 -9.710 17.364 17 H ALA 3 HN ALA 3 17.572 -12.942 14.461 18 HA ALA 3 HA ALA 3 17.729 -10.653 12.695 19 HB1 ALA 3 HB1 ALA 3 20.053 -10.897 13.398 20 HB2 ALA 3 HB2 ALA 3 19.863 -11.324 11.695 21 HB3 ALA 3 HB3 ALA 3 20.030 -12.593 12.910 22 H GLN 4 HN GLN 4 16.078 -11.291 11.411 23 HA GLN 4 HA GLN 4 16.453 -13.784 9.942 24 HB2 GLN 4 HB2 GLN 4 13.951 -14.201 10.119 25 HB3 GLN 4 HB1 GLN 4 14.910 -14.549 11.546 26 HG2 GLN 4 HG2 GLN 4 14.120 -12.654 12.678 27 HG3 GLN 4 HG1 GLN 4 13.472 -11.942 11.199 28 HE21 GLN 4 HE21 GLN 4 11.449 -11.722 12.217 29 HE22 GLN 4 HE22 GLN 4 10.393 -13.077 12.424 30 H SER 5 HN SER 5 15.927 -13.675 7.851 31 HA SER 5 HA SER 5 14.703 -11.174 6.902 32 HB2 SER 5 HB2 SER 5 16.368 -12.754 5.033 33 HB3 SER 5 HB1 SER 5 16.271 -11.007 5.252 34 HG SER 5 HG SER 5 18.015 -12.803 6.322 35 H ASP 6 HN ASP 6 12.797 -12.653 7.465 36 HA ASP 6 HA ASP 6 12.226 -14.772 5.601 37 HB2 ASP 6 HB2 ASP 6 11.299 -14.054 8.142 38 HB3 ASP 6 HB1 ASP 6 9.917 -13.838 7.076 39 H LYS 7 HN LYS 7 11.238 -14.604 3.718 40 HA LYS 7 HA LYS 7 9.904 -12.065 3.076 41 HB2 LYS 7 HB2 LYS 7 11.137 -14.105 1.207 42 HB3 LYS 7 HB1 LYS 7 10.324 -12.630 0.702 43 HG2 LYS 7 HG2 LYS 7 12.913 -12.871 2.223 44 HG3 LYS 7 HG1 LYS 7 12.665 -12.238 0.593 45 HD2 LYS 7 HD2 LYS 7 11.419 -10.359 1.474 46 HD3 LYS 7 HD1 LYS 7 11.532 -11.013 3.109 47 HE2 LYS 7 HE2 LYS 7 14.059 -10.892 2.792 48 HE3 LYS 7 HE1 LYS 7 13.713 -9.881 1.390 49 HZ1 LYS 7 HZ1 LYS 7 12.545 -8.335 2.831 50 HZ2 LYS 7 HZ2 LYS 7 14.130 -8.561 3.370 51 HZ3 LYS 7 HZ3 LYS 7 12.853 -9.313 4.176 52 H ASP 8 HN ASP 8 7.797 -12.189 3.206 53 HA ASP 8 HA ASP 8 6.460 -14.648 2.299 54 HB2 ASP 8 HB2 ASP 8 6.480 -14.390 4.798 55 HB3 ASP 8 HB1 ASP 8 5.547 -12.911 4.599 56 H VAL 9 HN VAL 9 4.337 -14.343 1.441 57 HA VAL 9 HA VAL 9 3.699 -11.586 0.680 58 HB VAL 9 HB VAL 9 4.786 -12.465 -1.263 59 HG11 VAL 9 HG11 VAL 9 2.934 -14.831 -1.066 60 HG12 VAL 9 HG12 VAL 9 4.678 -14.829 -0.803 61 HG13 VAL 9 HG13 VAL 9 4.029 -14.503 -2.410 62 HG21 VAL 9 HG21 VAL 9 2.838 -11.108 -1.719 63 HG22 VAL 9 HG22 VAL 9 1.796 -12.529 -1.637 64 HG23 VAL 9 HG23 VAL 9 2.983 -12.380 -2.932 65 H LYS 10 HN LYS 10 2.082 -11.503 2.186 66 HA LYS 10 HA LYS 10 -0.012 -13.513 2.154 67 HB2 LYS 10 HB2 LYS 10 0.837 -12.546 4.286 68 HB3 LYS 10 HB1 LYS 10 0.185 -10.984 3.798 69 HG2 LYS 10 HG2 LYS 10 -1.789 -11.530 4.643 70 HG3 LYS 10 HG1 LYS 10 -1.878 -12.930 3.573 71 HD2 LYS 10 HD2 LYS 10 -0.420 -12.907 6.216 72 HD3 LYS 10 HD1 LYS 10 -2.080 -13.465 6.008 73 HE2 LYS 10 HE2 LYS 10 0.254 -14.596 4.479 74 HE3 LYS 10 HE1 LYS 10 -0.321 -15.265 6.004 75 HZ1 LYS 10 HZ1 LYS 10 -1.985 -14.975 3.558 76 HZ2 LYS 10 HZ2 LYS 10 -2.439 -15.722 5.005 77 HZ3 LYS 10 HZ3 LYS 10 -1.228 -16.408 4.046 78 H TYR 11 HN TYR 11 -1.697 -13.387 0.868 79 HA TYR 11 HA TYR 11 -2.238 -10.980 -0.609 80 HB2 TYR 11 HB2 TYR 11 -3.261 -13.784 -0.660 81 HB3 TYR 11 HB1 TYR 11 -4.252 -12.519 -1.378 82 HD1 TYR 11 HD2 TYR 11 -0.739 -13.787 -1.427 83 HD2 TYR 11 HD1 TYR 11 -3.912 -11.975 -3.592 84 HE1 TYR 11 HE2 TYR 11 0.616 -13.879 -3.475 85 HE2 TYR 11 HE1 TYR 11 -2.572 -12.063 -5.650 86 HH TYR 11 HH TYR 11 0.095 -12.107 -6.104 87 H TYR 12 HN TYR 12 -3.244 -9.376 0.360 88 HA TYR 12 HA TYR 12 -5.256 -9.920 2.402 89 HB2 TYR 12 HB2 TYR 12 -4.058 -7.301 1.468 90 HB3 TYR 12 HB1 TYR 12 -5.204 -7.479 2.794 91 HD1 TYR 12 HD2 TYR 12 -4.452 -9.063 4.745 92 HD2 TYR 12 HD1 TYR 12 -1.778 -7.340 1.911 93 HE1 TYR 12 HE2 TYR 12 -2.580 -9.401 6.306 94 HE2 TYR 12 HE1 TYR 12 0.094 -7.675 3.467 95 HH TYR 12 HH TYR 12 -0.085 -9.654 6.167 96 H THR 13 HN THR 13 -7.215 -8.400 2.327 97 HA THR 13 HA THR 13 -8.384 -8.620 -0.348 98 HB THR 13 HB THR 13 -10.404 -7.863 1.413 99 HG1 THR 13 HG1 THR 13 -10.117 -9.249 3.199 100 HG21 THR 13 HG21 THR 13 -10.412 -9.593 -0.412 101 HG22 THR 13 HG22 THR 13 -11.251 -10.071 1.061 102 HG23 THR 13 HG23 THR 13 -9.639 -10.698 0.725 103 H LEU 14 HN LEU 14 -9.860 -6.872 -1.049 104 HA LEU 14 HA LEU 14 -8.602 -4.359 -1.020 105 HB2 LEU 14 HB2 LEU 14 -10.092 -5.161 -2.815 106 HB3 LEU 14 HB1 LEU 14 -11.461 -5.020 -1.728 107 HG LEU 14 HG LEU 14 -10.612 -2.506 -1.574 108 HD11 LEU 14 HD11 LEU 14 -9.764 -1.709 -3.706 109 HD12 LEU 14 HD12 LEU 14 -9.724 -3.363 -4.324 110 HD13 LEU 14 HD13 LEU 14 -8.657 -2.887 -3.002 111 HD21 LEU 14 HD21 LEU 14 -12.203 -1.957 -3.381 112 HD22 LEU 14 HD22 LEU 14 -12.837 -3.154 -2.254 113 HD23 LEU 14 HD23 LEU 14 -12.242 -3.660 -3.835 114 H GLU 15 HN GLU 15 -11.298 -5.656 0.834 115 HA GLU 15 HA GLU 15 -11.870 -3.140 2.115 116 HB2 GLU 15 HB2 GLU 15 -13.459 -4.451 3.463 117 HB3 GLU 15 HB1 GLU 15 -13.660 -4.748 1.744 118 HG2 GLU 15 HG2 GLU 15 -11.885 -6.587 3.242 119 HG3 GLU 15 HG1 GLU 15 -13.617 -6.695 3.552 120 H GLU 16 HN GLU 16 -9.434 -5.359 2.496 121 HA GLU 16 HA GLU 16 -9.225 -5.105 5.397 122 HB2 GLU 16 HB2 GLU 16 -8.782 -7.300 4.460 123 HB3 GLU 16 HB1 GLU 16 -7.573 -6.633 3.373 124 HG2 GLU 16 HG2 GLU 16 -6.416 -7.711 5.129 125 HG3 GLU 16 HG1 GLU 16 -6.247 -5.976 5.389 126 H ILE 17 HN ILE 17 -7.326 -4.361 2.496 127 HA ILE 17 HA ILE 17 -5.198 -3.102 3.815 128 HB ILE 17 HB ILE 17 -4.831 -1.947 1.551 129 HG12 ILE 17 HG12 ILE 17 -6.114 -3.596 -0.180 130 HG13 ILE 17 HG11 ILE 17 -7.349 -3.426 1.062 131 HG21 ILE 17 HG21 ILE 17 -3.870 -3.943 0.622 132 HG22 ILE 17 HG22 ILE 17 -4.930 -4.959 1.599 133 HG23 ILE 17 HG23 ILE 17 -3.681 -3.985 2.375 134 HD11 ILE 17 HD11 ILE 17 -7.673 -1.794 -0.682 135 HD12 ILE 17 HD12 ILE 17 -6.033 -1.190 -0.462 136 HD13 ILE 17 HD13 ILE 17 -7.224 -0.986 0.820 137 H LYS 18 HN LYS 18 -8.303 -1.819 2.778 138 HA LYS 18 HA LYS 18 -7.439 0.878 3.516 139 HB2 LYS 18 HB2 LYS 18 -9.567 1.642 2.547 140 HB3 LYS 18 HB1 LYS 18 -8.630 0.695 1.401 141 HG2 LYS 18 HG2 LYS 18 -10.046 -1.222 1.759 142 HG3 LYS 18 HG1 LYS 18 -10.937 -0.361 3.016 143 HD2 LYS 18 HD2 LYS 18 -12.226 -0.291 0.993 144 HD3 LYS 18 HD1 LYS 18 -11.596 1.326 1.308 145 HE2 LYS 18 HE2 LYS 18 -9.864 -0.360 -0.355 146 HE3 LYS 18 HE1 LYS 18 -11.428 0.015 -1.075 147 HZ1 LYS 18 HZ1 LYS 18 -9.216 1.817 -0.388 148 HZ2 LYS 18 HZ2 LYS 18 -10.794 2.423 -0.306 149 HZ3 LYS 18 HZ3 LYS 18 -10.205 1.798 -1.764 150 H LYS 19 HN LYS 19 -8.031 -1.432 5.376 151 HA LYS 19 HA LYS 19 -9.984 0.000 7.060 152 HB2 LYS 19 HB2 LYS 19 -10.608 -2.341 6.129 153 HB3 LYS 19 HB1 LYS 19 -9.443 -2.951 7.298 154 HG2 LYS 19 HG2 LYS 19 -11.481 -3.116 8.398 155 HG3 LYS 19 HG1 LYS 19 -10.777 -1.631 9.039 156 HD2 LYS 19 HD2 LYS 19 -13.065 -1.174 8.570 157 HD3 LYS 19 HD1 LYS 19 -12.116 -0.377 7.315 158 HE2 LYS 19 HE2 LYS 19 -12.695 -1.973 5.704 159 HE3 LYS 19 HE1 LYS 19 -13.227 -3.134 6.918 160 HZ1 LYS 19 HZ1 LYS 19 -15.081 -1.635 7.437 161 HZ2 LYS 19 HZ2 LYS 19 -15.121 -2.161 5.830 162 HZ3 LYS 19 HZ3 LYS 19 -14.593 -0.598 6.192 163 H HIS 20 HN HIS 20 -6.805 -0.782 6.669 164 HA HIS 20 HA HIS 20 -6.288 -0.773 9.570 165 HB2 HIS 20 HB2 HIS 20 -5.115 -2.337 7.360 166 HB3 HIS 20 HB1 HIS 20 -3.959 -1.693 8.521 167 HD1 HIS 20 HD1 HIS 20 -6.520 -4.338 8.087 168 HD2 HIS 20 HD2 HIS 20 -4.320 -2.652 11.194 169 HE1 HIS 20 HE1 HIS 20 -6.706 -5.943 10.002 170 HE2 HIS 20 HE2 HIS 20 -5.225 -4.996 11.798 171 H ASN 21 HN ASN 21 -5.908 0.954 6.676 172 HA ASN 21 HA ASN 21 -3.436 2.233 7.253 173 HB2 ASN 21 HB2 ASN 21 -4.154 3.874 5.491 174 HB3 ASN 21 HB1 ASN 21 -4.139 2.195 4.970 175 HD21 ASN 21 HD21 ASN 21 -5.643 4.675 4.117 176 HD22 ASN 21 HD22 ASN 21 -7.291 4.164 4.067 177 H HIS 22 HN HIS 22 -3.389 3.126 9.258 178 HA HIS 22 HA HIS 22 -5.142 5.448 9.640 179 HB2 HIS 22 HB2 HIS 22 -4.513 3.305 11.665 180 HB3 HIS 22 HB1 HIS 22 -5.086 4.902 12.134 181 HD1 HIS 22 HD1 HIS 22 -7.246 5.286 9.937 182 HD2 HIS 22 HD2 HIS 22 -6.738 1.826 12.181 183 HE1 HIS 22 HE1 HIS 22 -9.462 4.109 9.875 184 HE2 HIS 22 HE2 HIS 22 -9.187 2.145 11.424 185 H SER 23 HN SER 23 -2.459 3.983 11.516 186 HA SER 23 HA SER 23 -0.808 6.292 10.866 187 HB2 SER 23 HB2 SER 23 -1.467 5.584 13.734 188 HB3 SER 23 HB1 SER 23 -0.375 6.861 13.199 189 HG SER 23 HG SER 23 -2.555 7.368 11.928 190 H LYS 24 HN LYS 24 -0.985 3.311 12.839 191 HA LYS 24 HA LYS 24 1.880 2.945 12.279 192 HB2 LYS 24 HB2 LYS 24 1.831 1.333 14.203 193 HB3 LYS 24 HB1 LYS 24 1.520 3.010 14.628 194 HG2 LYS 24 HG2 LYS 24 -0.882 2.531 14.717 195 HG3 LYS 24 HG1 LYS 24 -0.547 0.844 14.321 196 HD2 LYS 24 HD2 LYS 24 0.817 0.657 16.355 197 HD3 LYS 24 HD1 LYS 24 0.428 2.329 16.759 198 HE2 LYS 24 HE2 LYS 24 -1.908 1.785 16.965 199 HE3 LYS 24 HE1 LYS 24 -1.609 0.140 16.406 200 HZ1 LYS 24 HZ1 LYS 24 -0.733 1.367 18.955 201 HZ2 LYS 24 HZ2 LYS 24 -0.134 -0.109 18.389 202 HZ3 LYS 24 HZ3 LYS 24 -1.779 0.054 18.740 203 H SER 25 HN SER 25 -0.510 2.274 10.603 204 HA SER 25 HA SER 25 0.422 -0.322 9.751 205 HB2 SER 25 HB2 SER 25 -2.456 0.071 10.622 206 HB3 SER 25 HB1 SER 25 -1.845 -1.343 9.760 207 HG SER 25 HG SER 25 -0.288 -0.893 11.881 208 H THR 26 HN THR 26 0.400 2.381 8.775 209 HA THR 26 HA THR 26 -1.591 2.630 6.723 210 HB THR 26 HB THR 26 0.969 4.169 6.716 211 HG1 THR 26 HG1 THR 26 0.624 4.637 8.756 212 HG21 THR 26 HG21 THR 26 -1.920 4.932 6.278 213 HG22 THR 26 HG22 THR 26 -0.712 4.669 5.018 214 HG23 THR 26 HG23 THR 26 -0.542 6.025 6.136 215 H TRP 27 HN TRP 27 -1.543 1.276 5.040 216 HA TRP 27 HA TRP 27 1.068 0.636 3.852 217 HB2 TRP 27 HB2 TRP 27 -1.492 -0.971 3.832 218 HB3 TRP 27 HB1 TRP 27 -0.030 -1.409 2.955 219 HD1 TRP 27 HD1 TRP 27 1.907 -0.535 5.497 220 HE1 TRP 27 HE1 TRP 27 2.108 -2.205 7.439 221 HE3 TRP 27 HE3 TRP 27 -2.326 -3.268 4.638 222 HZ2 TRP 27 HZ2 TRP 27 0.651 -4.402 8.476 223 HZ3 TRP 27 HZ3 TRP 27 -2.850 -5.137 6.153 224 HH2 TRP 27 HH2 TRP 27 -1.390 -5.690 8.029 225 H LEU 28 HN LEU 28 1.351 0.765 1.676 226 HA LEU 28 HA LEU 28 -0.794 2.094 0.152 227 HB2 LEU 28 HB2 LEU 28 2.189 2.453 0.094 228 HB3 LEU 28 HB1 LEU 28 1.219 2.839 -1.314 229 HG LEU 28 HG LEU 28 -0.125 4.248 0.550 230 HD11 LEU 28 HD11 LEU 28 1.466 3.565 2.320 231 HD12 LEU 28 HD12 LEU 28 1.400 5.309 2.074 232 HD13 LEU 28 HD13 LEU 28 2.752 4.379 1.431 233 HD21 LEU 28 HD21 LEU 28 1.227 6.204 -0.212 234 HD22 LEU 28 HD22 LEU 28 0.627 5.179 -1.517 235 HD23 LEU 28 HD23 LEU 28 2.315 5.070 -1.013 236 H ILE 29 HN ILE 29 -1.021 1.470 -2.058 237 HA ILE 29 HA ILE 29 0.091 -1.202 -2.600 238 HB ILE 29 HB ILE 29 -2.546 -0.033 -3.481 239 HG12 ILE 29 HG12 ILE 29 -2.047 -2.440 -1.738 240 HG13 ILE 29 HG11 ILE 29 -2.270 -0.823 -1.079 241 HG21 ILE 29 HG21 ILE 29 -2.996 -2.240 -4.456 242 HG22 ILE 29 HG22 ILE 29 -1.350 -2.738 -4.063 243 HG23 ILE 29 HG23 ILE 29 -1.626 -1.445 -5.232 244 HD11 ILE 29 HD11 ILE 29 -4.266 -2.290 -2.783 245 HD12 ILE 29 HD12 ILE 29 -4.489 -0.714 -2.023 246 HD13 ILE 29 HD13 ILE 29 -4.317 -2.157 -1.025 247 H LEU 30 HN LEU 30 1.474 -1.305 -4.203 248 HA LEU 30 HA LEU 30 1.188 0.567 -6.460 249 HB2 LEU 30 HB2 LEU 30 3.819 -0.393 -5.334 250 HB3 LEU 30 HB1 LEU 30 3.593 0.741 -6.649 251 HG LEU 30 HG LEU 30 2.793 1.267 -3.784 252 HD11 LEU 30 HD11 LEU 30 4.734 2.760 -3.738 253 HD12 LEU 30 HD12 LEU 30 5.196 2.194 -5.346 254 HD13 LEU 30 HD13 LEU 30 5.200 1.075 -3.981 255 HD21 LEU 30 HD21 LEU 30 2.744 2.913 -6.293 256 HD22 LEU 30 HD22 LEU 30 2.792 3.655 -4.695 257 HD23 LEU 30 HD23 LEU 30 1.441 2.615 -5.145 258 H HIS 31 HN HIS 31 1.008 -0.433 -8.358 259 HA HIS 31 HA HIS 31 1.062 -2.028 -9.981 260 HB2 HIS 31 HB2 HIS 31 3.379 -3.005 -8.310 261 HB3 HIS 31 HB1 HIS 31 2.838 -3.882 -9.735 262 HD1 HIS 31 HD1 HIS 31 5.053 -3.444 -10.982 263 HD2 HIS 31 HD2 HIS 31 3.049 0.019 -9.859 264 HE1 HIS 31 HE1 HIS 31 6.188 -1.573 -12.219 265 HE2 HIS 31 HE2 HIS 31 4.807 0.466 -11.706 266 H HIS 32 HN HIS 32 -0.551 -2.191 -7.554 267 HA HIS 32 HA HIS 32 -2.169 -3.506 -6.690 268 HB2 HIS 32 HB2 HIS 32 -1.277 -5.385 -8.871 269 HB3 HIS 32 HB1 HIS 32 -2.564 -5.798 -7.743 270 HD1 HIS 32 HD1 HIS 32 -2.626 -5.083 -10.981 271 HD2 HIS 32 HD2 HIS 32 -4.139 -2.908 -7.778 272 HE1 HIS 32 HE1 HIS 32 -4.435 -3.629 -11.944 273 HE2 HIS 32 HE2 HIS 32 -5.142 -2.148 -10.034 274 H LYS 33 HN LYS 33 0.701 -3.582 -5.834 275 HA LYS 33 HA LYS 33 0.597 -6.082 -4.277 276 HB2 LYS 33 HB2 LYS 33 3.048 -4.429 -4.918 277 HB3 LYS 33 HB1 LYS 33 3.015 -5.976 -4.084 278 HG2 LYS 33 HG2 LYS 33 2.108 -6.999 -6.173 279 HG3 LYS 33 HG1 LYS 33 2.375 -5.449 -6.978 280 HD2 LYS 33 HD2 LYS 33 4.766 -5.591 -6.332 281 HD3 LYS 33 HD1 LYS 33 4.460 -7.203 -5.685 282 HE2 LYS 33 HE2 LYS 33 4.044 -6.344 -8.543 283 HE3 LYS 33 HE1 LYS 33 5.413 -7.276 -7.945 284 HZ1 LYS 33 HZ1 LYS 33 3.536 -8.870 -7.128 285 HZ2 LYS 33 HZ2 LYS 33 4.056 -8.913 -8.738 286 HZ3 LYS 33 HZ3 LYS 33 2.628 -8.109 -8.339 287 H VAL 34 HN VAL 34 1.117 -5.937 -2.029 288 HA VAL 34 HA VAL 34 0.440 -3.321 -0.904 289 HB VAL 34 HB VAL 34 0.697 -5.959 0.546 290 HG11 VAL 34 HG11 VAL 34 -0.502 -4.923 2.319 291 HG12 VAL 34 HG12 VAL 34 -0.846 -3.496 1.343 292 HG13 VAL 34 HG13 VAL 34 0.803 -3.822 1.877 293 HG21 VAL 34 HG21 VAL 34 -0.991 -6.166 -1.185 294 HG22 VAL 34 HG22 VAL 34 -1.752 -4.667 -0.652 295 HG23 VAL 34 HG23 VAL 34 -1.759 -6.081 0.398 296 H TYR 35 HN TYR 35 1.919 -2.032 -0.039 297 HA TYR 35 HA TYR 35 4.502 -3.209 0.760 298 HB2 TYR 35 HB2 TYR 35 3.912 -0.474 -0.390 299 HB3 TYR 35 HB1 TYR 35 5.481 -0.968 0.238 300 HD1 TYR 35 HD1 TYR 35 3.076 -1.355 -2.497 301 HD2 TYR 35 HD2 TYR 35 6.869 -2.546 -0.988 302 HE1 TYR 35 HE1 TYR 35 3.646 -2.299 -4.691 303 HE2 TYR 35 HE2 TYR 35 7.452 -3.493 -3.183 304 HH TYR 35 HH TYR 35 5.550 -2.913 -5.993 305 H ASP 36 HN ASP 36 5.077 -3.007 2.806 306 HA ASP 36 HA ASP 36 3.459 -1.340 4.578 307 HB2 ASP 36 HB2 ASP 36 3.657 -3.595 5.341 308 HB3 ASP 36 HB1 ASP 36 5.402 -3.592 5.106 309 H LEU 37 HN LEU 37 4.167 0.674 4.620 310 HA LEU 37 HA LEU 37 6.945 1.120 5.425 311 HB2 LEU 37 HB2 LEU 37 7.199 2.977 3.898 312 HB3 LEU 37 HB1 LEU 37 6.821 1.521 2.999 313 HG LEU 37 HG LEU 37 4.567 3.332 3.720 314 HD11 LEU 37 HD11 LEU 37 6.530 3.879 1.498 315 HD12 LEU 37 HD12 LEU 37 6.260 4.882 2.924 316 HD13 LEU 37 HD13 LEU 37 4.980 4.692 1.726 317 HD21 LEU 37 HD21 LEU 37 3.757 2.584 1.534 318 HD22 LEU 37 HD22 LEU 37 4.130 1.225 2.592 319 HD23 LEU 37 HD23 LEU 37 5.244 1.671 1.299 320 H THR 38 HN THR 38 4.479 1.044 6.894 321 HA THR 38 HA THR 38 3.423 3.605 7.363 322 HB THR 38 HB THR 38 2.434 1.365 8.073 323 HG1 THR 38 HG1 THR 38 2.555 3.535 9.924 324 HG21 THR 38 HG21 THR 38 4.224 1.807 10.464 325 HG22 THR 38 HG22 THR 38 4.420 0.522 9.275 326 HG23 THR 38 HG23 THR 38 2.987 0.562 10.302 327 H LYS 39 HN LYS 39 6.404 2.205 8.279 328 HA LYS 39 HA LYS 39 6.822 4.223 10.358 329 HB2 LYS 39 HB2 LYS 39 8.132 1.610 9.712 330 HB3 LYS 39 HB1 LYS 39 9.039 2.829 10.598 331 HG2 LYS 39 HG2 LYS 39 6.351 1.781 11.456 332 HG3 LYS 39 HG1 LYS 39 7.896 1.152 12.034 333 HD2 LYS 39 HD2 LYS 39 8.469 3.308 12.964 334 HD3 LYS 39 HD1 LYS 39 6.999 4.020 12.301 335 HE2 LYS 39 HE2 LYS 39 5.645 2.583 13.716 336 HE3 LYS 39 HE1 LYS 39 7.099 1.810 14.348 337 HZ1 LYS 39 HZ1 LYS 39 7.781 3.908 15.291 338 HZ2 LYS 39 HZ2 LYS 39 6.232 3.509 15.848 339 HZ3 LYS 39 HZ3 LYS 39 6.424 4.684 14.649 340 H PHE 40 HN PHE 40 7.026 4.122 7.187 341 HA PHE 40 HA PHE 40 9.544 5.648 7.067 342 HB2 PHE 40 HB2 PHE 40 8.857 3.361 5.628 343 HB3 PHE 40 HB1 PHE 40 8.592 4.679 4.493 344 HD1 PHE 40 HD1 PHE 40 11.080 3.026 6.640 345 HD2 PHE 40 HD2 PHE 40 10.412 5.861 3.536 346 HE1 PHE 40 HE1 PHE 40 13.497 3.097 6.191 347 HE2 PHE 40 HE2 PHE 40 12.828 5.937 3.080 348 HZ PHE 40 HZ PHE 40 14.377 4.552 4.408 349 H LEU 41 HN LEU 41 6.371 6.083 7.259 350 HA LEU 41 HA LEU 41 5.664 7.703 5.080 351 HB2 LEU 41 HB2 LEU 41 4.699 7.965 7.931 352 HB3 LEU 41 HB1 LEU 41 3.895 8.583 6.502 353 HG LEU 41 HG LEU 41 4.354 5.648 7.022 354 HD11 LEU 41 HD11 LEU 41 2.930 6.555 8.759 355 HD12 LEU 41 HD12 LEU 41 1.978 5.581 7.639 356 HD13 LEU 41 HD13 LEU 41 1.916 7.341 7.547 357 HD21 LEU 41 HD21 LEU 41 2.538 7.083 5.085 358 HD22 LEU 41 HD22 LEU 41 2.687 5.335 5.278 359 HD23 LEU 41 HD23 LEU 41 4.049 6.276 4.666 360 H GLU 42 HN GLU 42 7.000 8.534 8.245 361 HA GLU 42 HA GLU 42 7.286 11.322 7.535 362 HB2 GLU 42 HB2 GLU 42 8.451 11.370 9.830 363 HB3 GLU 42 HB1 GLU 42 6.726 11.022 9.786 364 HG2 GLU 42 HG2 GLU 42 7.125 8.688 10.089 365 HG3 GLU 42 HG1 GLU 42 8.865 8.915 9.931 366 H GLU 43 HN GLU 43 8.945 8.625 6.781 367 HA GLU 43 HA GLU 43 11.559 9.984 6.751 368 HB2 GLU 43 HB2 GLU 43 11.152 7.013 6.421 369 HB3 GLU 43 HB1 GLU 43 12.630 7.872 6.833 370 HG2 GLU 43 HG2 GLU 43 10.724 8.457 8.834 371 HG3 GLU 43 HG1 GLU 43 10.692 6.717 8.557 372 H HIS 44 HN HIS 44 9.194 10.068 4.896 373 HA HIS 44 HA HIS 44 10.428 8.997 2.465 374 HB2 HIS 44 HB2 HIS 44 8.112 8.287 2.913 375 HB3 HIS 44 HB1 HIS 44 7.604 9.971 2.946 376 HD1 HIS 44 HD1 HIS 44 6.950 10.992 0.737 377 HD2 HIS 44 HD2 HIS 44 8.976 7.387 0.306 378 HE1 HIS 44 HE1 HIS 44 6.820 10.395 -1.717 379 HA PRO 45 HA PRO 45 11.617 13.213 1.594 380 HB2 PRO 45 HB2 PRO 45 12.644 12.723 -0.884 381 HB3 PRO 45 HB1 PRO 45 13.516 12.368 0.616 382 HG2 PRO 45 HG2 PRO 45 11.999 10.523 -1.161 383 HG3 PRO 45 HG1 PRO 45 13.533 10.259 -0.312 384 HD2 PRO 45 HD2 PRO 45 11.173 9.273 0.587 385 HD3 PRO 45 HD1 PRO 45 12.502 9.731 1.668 386 H GLY 46 HN GLY 46 9.783 14.377 1.316 387 HA2 GLY 46 HA2 GLY 46 8.906 15.534 -0.844 388 HA3 GLY 46 HA1 GLY 46 8.189 13.950 -1.111 389 H GLY 47 HN GLY 47 7.781 13.617 1.841 390 HA2 GLY 47 HA2 GLY 47 6.437 15.187 3.371 391 HA3 GLY 47 HA1 GLY 47 5.344 15.267 1.998 392 H GLU 48 HN GLU 48 4.293 14.481 4.308 393 HA GLU 48 HA GLU 48 4.164 11.547 4.189 394 HB2 GLU 48 HB2 GLU 48 2.844 12.141 6.475 395 HB3 GLU 48 HB1 GLU 48 4.567 11.812 6.394 396 HG2 GLU 48 HG2 GLU 48 4.178 13.756 7.745 397 HG3 GLU 48 HG1 GLU 48 5.004 14.229 6.262 398 H GLU 49 HN GLU 49 2.288 14.470 3.924 399 HA GLU 49 HA GLU 49 -0.279 13.367 4.161 400 HB2 GLU 49 HB2 GLU 49 0.249 15.805 4.195 401 HB3 GLU 49 HB1 GLU 49 0.504 15.732 2.457 402 HG2 GLU 49 HG2 GLU 49 -1.718 15.474 1.997 403 HG3 GLU 49 HG1 GLU 49 -2.070 14.739 3.559 404 H VAL 50 HN VAL 50 1.879 13.674 1.397 405 HA VAL 50 HA VAL 50 0.056 12.876 -0.587 406 HB VAL 50 HB VAL 50 2.105 12.193 -1.892 407 HG11 VAL 50 HG11 VAL 50 2.957 14.509 -2.100 408 HG12 VAL 50 HG12 VAL 50 2.025 14.946 -0.667 409 HG13 VAL 50 HG13 VAL 50 1.195 14.408 -2.127 410 HG21 VAL 50 HG21 VAL 50 4.291 12.838 -0.973 411 HG22 VAL 50 HG22 VAL 50 3.538 11.542 -0.043 412 HG23 VAL 50 HG23 VAL 50 3.524 13.194 0.574 413 H LEU 51 HN LEU 51 1.669 11.062 1.855 414 HA LEU 51 HA LEU 51 1.326 8.544 0.448 415 HB2 LEU 51 HB2 LEU 51 2.356 9.122 3.219 416 HB3 LEU 51 HB1 LEU 51 2.352 7.547 2.449 417 HG LEU 51 HG LEU 51 3.898 9.948 1.466 418 HD11 LEU 51 HD11 LEU 51 4.842 7.476 2.910 419 HD12 LEU 51 HD12 LEU 51 4.761 9.104 3.583 420 HD13 LEU 51 HD13 LEU 51 5.869 8.752 2.257 421 HD21 LEU 51 HD21 LEU 51 3.861 7.073 0.548 422 HD22 LEU 51 HD22 LEU 51 5.003 8.300 -0.002 423 HD23 LEU 51 HD23 LEU 51 3.283 8.474 -0.351 424 H ARG 52 HN ARG 52 0.026 10.189 3.319 425 HA ARG 52 HA ARG 52 -1.649 8.067 4.127 426 HB2 ARG 52 HB2 ARG 52 -2.893 9.802 5.431 427 HB3 ARG 52 HB1 ARG 52 -1.160 9.783 5.719 428 HG2 ARG 52 HG2 ARG 52 -1.363 12.000 5.476 429 HG3 ARG 52 HG1 ARG 52 -1.305 11.621 3.755 430 HD2 ARG 52 HD2 ARG 52 -3.171 12.966 3.855 431 HD3 ARG 52 HD1 ARG 52 -3.888 11.365 4.018 432 HE ARG 52 HE ARG 52 -3.444 12.134 6.587 433 HH11 ARG 52 HH11 ARG 52 -5.129 13.551 3.840 434 HH12 ARG 52 HH12 ARG 52 -6.305 14.440 4.876 435 HH21 ARG 52 HH21 ARG 52 -4.928 13.235 7.931 436 HH22 ARG 52 HH22 ARG 52 -6.192 14.264 7.161 437 H GLU 53 HN GLU 53 -2.031 10.481 1.655 438 HA GLU 53 HA GLU 53 -4.883 10.005 1.421 439 HB2 GLU 53 HB2 GLU 53 -4.859 11.663 -0.322 440 HB3 GLU 53 HB1 GLU 53 -3.929 12.261 1.043 441 HG2 GLU 53 HG2 GLU 53 -1.863 11.654 -0.110 442 HG3 GLU 53 HG1 GLU 53 -2.806 11.078 -1.485 443 H GLN 54 HN GLN 54 -2.127 8.442 0.418 444 HA GLN 54 HA GLN 54 -3.509 7.273 -1.911 445 HB2 GLN 54 HB2 GLN 54 -0.548 7.539 -1.344 446 HB3 GLN 54 HB1 GLN 54 -1.212 6.594 -2.669 447 HG2 GLN 54 HG2 GLN 54 -1.648 9.546 -2.293 448 HG3 GLN 54 HG1 GLN 54 -0.416 8.839 -3.332 449 HE21 GLN 54 HE21 GLN 54 -3.863 9.222 -2.832 450 HE22 GLN 54 HE22 GLN 54 -4.322 8.890 -4.466 451 H ALA 55 HN ALA 55 -3.157 6.745 1.169 452 HA ALA 55 HA ALA 55 -2.219 4.002 1.141 453 HB1 ALA 55 HB1 ALA 55 -3.329 5.704 3.372 454 HB2 ALA 55 HB2 ALA 55 -1.625 5.396 3.034 455 HB3 ALA 55 HB3 ALA 55 -2.672 4.078 3.563 456 H GLY 56 HN GLY 56 -3.493 2.205 1.634 457 HA2 GLY 56 HA2 GLY 56 -5.428 0.949 1.803 458 HA3 GLY 56 HA1 GLY 56 -6.320 2.439 2.073 459 H GLY 57 HN GLY 57 -4.299 2.124 -0.725 460 HA2 GLY 57 HA2 GLY 57 -6.294 1.091 -2.484 461 HA3 GLY 57 HA1 GLY 57 -6.192 2.844 -2.584 462 H ASP 58 HN ASP 58 -5.655 1.498 -4.822 463 HA ASP 58 HA ASP 58 -2.834 0.937 -5.068 464 HB2 ASP 58 HB2 ASP 58 -4.531 -0.304 -6.388 465 HB3 ASP 58 HB1 ASP 58 -4.937 1.190 -7.227 466 H ALA 59 HN ALA 59 -1.372 2.464 -5.230 467 HA ALA 59 HA ALA 59 -2.145 5.077 -6.348 468 HB1 ALA 59 HB1 ALA 59 -0.399 6.050 -5.023 469 HB2 ALA 59 HB2 ALA 59 0.189 4.457 -4.547 470 HB3 ALA 59 HB3 ALA 59 -1.383 5.021 -3.984 471 H THR 60 HN THR 60 -1.246 2.609 -7.790 472 HA THR 60 HA THR 60 1.363 2.800 -8.722 473 HB THR 60 HB THR 60 -1.054 1.937 -10.323 474 HG1 THR 60 HG1 THR 60 -1.158 0.495 -8.766 475 HG21 THR 60 HG21 THR 60 1.899 1.470 -10.615 476 HG22 THR 60 HG22 THR 60 0.754 2.054 -11.821 477 HG23 THR 60 HG23 THR 60 0.715 0.366 -11.310 478 H GLU 61 HN GLU 61 -1.546 4.492 -9.742 479 HA GLU 61 HA GLU 61 -0.654 5.656 -12.102 480 HB2 GLU 61 HB2 GLU 61 -2.406 7.351 -11.705 481 HB3 GLU 61 HB1 GLU 61 -2.983 5.717 -11.399 482 HG2 GLU 61 HG2 GLU 61 -2.488 6.145 -8.955 483 HG3 GLU 61 HG1 GLU 61 -2.283 7.839 -9.396 484 H ASN 62 HN ASN 62 -0.236 6.692 -8.769 485 HA ASN 62 HA ASN 62 1.010 9.183 -9.483 486 HB2 ASN 62 HB2 ASN 62 -0.329 8.560 -7.323 487 HB3 ASN 62 HB1 ASN 62 1.217 7.933 -6.763 488 HD21 ASN 62 HD21 ASN 62 -0.380 10.151 -5.773 489 HD22 ASN 62 HD22 ASN 62 0.653 11.540 -5.827 490 H PHE 63 HN PHE 63 2.045 6.032 -8.306 491 HA PHE 63 HA PHE 63 4.733 6.511 -7.834 492 HB2 PHE 63 HB2 PHE 63 3.580 4.434 -7.246 493 HB3 PHE 63 HB1 PHE 63 3.414 4.025 -8.949 494 HD1 PHE 63 HD2 PHE 63 5.842 4.458 -6.198 495 HD2 PHE 63 HD1 PHE 63 5.174 2.962 -10.130 496 HE1 PHE 63 HE2 PHE 63 7.996 3.274 -6.111 497 HE2 PHE 63 HE1 PHE 63 7.329 1.775 -10.045 498 HZ PHE 63 HZ PHE 63 8.743 1.931 -8.032 499 H GLU 64 HN GLU 64 3.179 5.499 -10.874 500 HA GLU 64 HA GLU 64 5.660 5.588 -12.326 501 HB2 GLU 64 HB2 GLU 64 4.273 5.076 -14.297 502 HB3 GLU 64 HB1 GLU 64 3.964 3.975 -12.964 503 HG2 GLU 64 HG2 GLU 64 2.006 5.532 -12.401 504 HG3 GLU 64 HG1 GLU 64 2.238 6.172 -14.025 505 H ASP 65 HN ASP 65 3.092 7.814 -11.659 506 HA ASP 65 HA ASP 65 3.501 9.584 -13.831 507 HB2 ASP 65 HB2 ASP 65 1.452 9.694 -12.544 508 HB3 ASP 65 HB1 ASP 65 2.348 10.071 -11.077 509 H VAL 66 HN VAL 66 4.694 9.564 -10.502 510 HA VAL 66 HA VAL 66 6.329 11.887 -10.889 511 HB VAL 66 HB VAL 66 6.297 9.832 -8.667 512 HG11 VAL 66 HG11 VAL 66 8.506 10.986 -8.981 513 HG12 VAL 66 HG12 VAL 66 7.743 11.217 -7.410 514 HG13 VAL 66 HG13 VAL 66 7.681 12.502 -8.615 515 HG21 VAL 66 HG21 VAL 66 4.274 11.224 -8.897 516 HG22 VAL 66 HG22 VAL 66 5.273 12.667 -8.725 517 HG23 VAL 66 HG23 VAL 66 5.140 11.521 -7.389 518 H GLY 67 HN GLY 67 6.991 8.407 -10.524 519 HA2 GLY 67 HA2 GLY 67 8.628 7.227 -11.750 520 HA3 GLY 67 HA1 GLY 67 9.397 8.756 -12.153 521 H HIS 68 HN HIS 68 10.107 6.067 -10.654 522 HA HIS 68 HA HIS 68 11.458 7.426 -8.414 523 HB2 HIS 68 HB2 HIS 68 10.213 4.696 -8.584 524 HB3 HIS 68 HB1 HIS 68 11.510 5.008 -7.435 525 HD1 HIS 68 HD1 HIS 68 8.166 6.646 -8.335 526 HD2 HIS 68 HD2 HIS 68 10.575 5.796 -5.054 527 HE1 HIS 68 HE1 HIS 68 6.915 7.480 -6.304 528 H SER 69 HN SER 69 13.540 6.507 -7.788 529 HA SER 69 HA SER 69 15.231 6.169 -10.035 530 HB2 SER 69 HB2 SER 69 16.747 5.492 -7.828 531 HB3 SER 69 HB1 SER 69 16.522 7.127 -8.445 532 HG SER 69 HG SER 69 15.801 7.405 -6.459 533 H THR 70 HN THR 70 16.790 4.362 -10.269 534 HA THR 70 HA THR 70 15.434 1.896 -10.457 535 HB THR 70 HB THR 70 18.033 1.169 -10.721 536 HG1 THR 70 HG1 THR 70 19.095 2.967 -11.698 537 HG21 THR 70 HG21 THR 70 16.409 2.653 -12.791 538 HG22 THR 70 HG22 THR 70 16.238 0.943 -12.396 539 HG23 THR 70 HG23 THR 70 17.735 1.540 -13.109 540 H ASP 71 HN ASP 71 17.602 3.248 -8.045 541 HA ASP 71 HA ASP 71 17.982 0.764 -6.657 542 HB2 ASP 71 HB2 ASP 71 19.613 2.626 -6.550 543 HB3 ASP 71 HB1 ASP 71 18.431 3.589 -5.669 544 H ALA 72 HN ALA 72 15.828 3.520 -6.329 545 HA ALA 72 HA ALA 72 14.749 3.024 -3.823 546 HB1 ALA 72 HB1 ALA 72 12.861 4.360 -4.517 547 HB2 ALA 72 HB2 ALA 72 13.294 4.142 -6.211 548 HB3 ALA 72 HB3 ALA 72 14.352 5.062 -5.143 549 H ARG 73 HN ARG 73 13.709 1.731 -6.974 550 HA ARG 73 HA ARG 73 11.499 0.312 -5.872 551 HB2 ARG 73 HB2 ARG 73 11.418 -0.834 -8.078 552 HB3 ARG 73 HB1 ARG 73 11.420 0.920 -8.183 553 HG2 ARG 73 HG2 ARG 73 12.988 0.616 -9.732 554 HG3 ARG 73 HG1 ARG 73 14.073 0.371 -8.361 555 HD2 ARG 73 HD2 ARG 73 14.470 -1.478 -9.719 556 HD3 ARG 73 HD1 ARG 73 13.358 -2.091 -8.500 557 HE ARG 73 HE ARG 73 11.787 -1.234 -10.596 558 HH11 ARG 73 HH11 ARG 73 14.336 -3.599 -10.037 559 HH12 ARG 73 HH12 ARG 73 13.771 -4.687 -11.366 560 HH21 ARG 73 HH21 ARG 73 11.038 -2.585 -12.290 561 HH22 ARG 73 HH22 ARG 73 11.920 -4.126 -12.615 562 H GLU 74 HN GLU 74 14.857 -0.333 -5.959 563 HA GLU 74 HA GLU 74 14.578 -3.204 -5.713 564 HB2 GLU 74 HB2 GLU 74 16.987 -1.427 -5.252 565 HB3 GLU 74 HB1 GLU 74 17.011 -3.183 -5.298 566 HG2 GLU 74 HG2 GLU 74 16.140 -1.481 -7.615 567 HG3 GLU 74 HG1 GLU 74 17.798 -2.024 -7.372 568 H LEU 75 HN LEU 75 14.976 -0.396 -3.672 569 HA LEU 75 HA LEU 75 15.460 -1.798 -1.238 570 HB2 LEU 75 HB2 LEU 75 16.047 0.581 -1.589 571 HB3 LEU 75 HB1 LEU 75 14.344 0.976 -1.680 572 HG LEU 75 HG LEU 75 14.210 -0.053 0.698 573 HD11 LEU 75 HD11 LEU 75 16.239 0.124 1.999 574 HD12 LEU 75 HD12 LEU 75 17.145 0.634 0.576 575 HD13 LEU 75 HD13 LEU 75 16.482 -0.997 0.660 576 HD21 LEU 75 HD21 LEU 75 14.766 2.123 1.682 577 HD22 LEU 75 HD22 LEU 75 13.823 2.290 0.202 578 HD23 LEU 75 HD23 LEU 75 15.560 2.595 0.180 579 H SER 76 HN SER 76 12.627 -0.693 -2.951 580 HA SER 76 HA SER 76 10.740 -1.064 -0.874 581 HB2 SER 76 HB2 SER 76 10.275 -1.100 -3.867 582 HB3 SER 76 HB1 SER 76 9.067 -0.797 -2.617 583 HG SER 76 HG SER 76 11.321 0.819 -3.257 584 H LYS 77 HN LYS 77 12.519 -3.316 -2.587 585 HA LYS 77 HA LYS 77 10.615 -5.360 -3.008 586 HB2 LYS 77 HB2 LYS 77 13.127 -5.027 -3.824 587 HB3 LYS 77 HB1 LYS 77 13.450 -6.054 -2.432 588 HG2 LYS 77 HG2 LYS 77 12.211 -7.834 -3.322 589 HG3 LYS 77 HG1 LYS 77 11.448 -6.803 -4.535 590 HD2 LYS 77 HD2 LYS 77 13.887 -6.413 -5.348 591 HD3 LYS 77 HD1 LYS 77 14.231 -7.894 -4.454 592 HE2 LYS 77 HE2 LYS 77 12.721 -9.149 -5.783 593 HE3 LYS 77 HE1 LYS 77 12.039 -7.691 -6.501 594 HZ1 LYS 77 HZ1 LYS 77 13.533 -8.789 -8.029 595 HZ2 LYS 77 HZ2 LYS 77 14.801 -8.693 -6.914 596 HZ3 LYS 77 HZ3 LYS 77 14.158 -7.283 -7.585 597 H THR 78 HN THR 78 12.228 -4.224 -0.180 598 HA THR 78 HA THR 78 11.461 -6.661 1.263 599 HB THR 78 HB THR 78 13.814 -5.795 1.516 600 HG1 THR 78 HG1 THR 78 12.273 -5.848 3.917 601 HG21 THR 78 HG21 THR 78 13.248 -3.382 1.586 602 HG22 THR 78 HG22 THR 78 14.221 -3.897 2.967 603 HG23 THR 78 HG23 THR 78 12.486 -3.635 3.160 604 H PHE 79 HN PHE 79 10.048 -3.928 0.382 605 HA PHE 79 HA PHE 79 8.830 -3.240 2.945 606 HB2 PHE 79 HB2 PHE 79 8.790 -2.012 0.201 607 HB3 PHE 79 HB1 PHE 79 7.536 -1.602 1.362 608 HD1 PHE 79 HD1 PHE 79 10.953 -2.292 2.478 609 HD2 PHE 79 HD2 PHE 79 8.169 0.720 1.372 610 HE1 PHE 79 HE1 PHE 79 12.421 -0.581 3.461 611 HE2 PHE 79 HE2 PHE 79 9.629 2.439 2.353 612 HZ PHE 79 HZ PHE 79 11.764 1.787 3.398 613 H ILE 80 HN ILE 80 8.199 -4.972 0.019 614 HA ILE 80 HA ILE 80 5.360 -5.090 0.320 615 HB ILE 80 HB ILE 80 6.206 -5.340 -1.895 616 HG12 ILE 80 HG12 ILE 80 5.272 -8.059 -0.948 617 HG13 ILE 80 HG11 ILE 80 4.217 -6.698 -1.318 618 HG21 ILE 80 HG21 ILE 80 8.440 -6.122 -1.425 619 HG22 ILE 80 HG22 ILE 80 7.660 -7.223 -2.562 620 HG23 ILE 80 HG23 ILE 80 7.813 -7.672 -0.863 621 HD11 ILE 80 HD11 ILE 80 4.229 -8.242 -3.154 622 HD12 ILE 80 HD12 ILE 80 5.991 -8.179 -3.243 623 HD13 ILE 80 HD13 ILE 80 5.035 -6.750 -3.644 624 H ILE 81 HN ILE 81 4.233 -6.339 1.617 625 HA ILE 81 HA ILE 81 5.514 -8.756 2.712 626 HB ILE 81 HB ILE 81 4.334 -8.519 4.760 627 HG12 ILE 81 HG12 ILE 81 2.207 -7.639 3.707 628 HG13 ILE 81 HG11 ILE 81 2.643 -6.905 5.243 629 HG21 ILE 81 HG21 ILE 81 5.442 -5.834 3.965 630 HG22 ILE 81 HG22 ILE 81 6.351 -7.196 4.616 631 HG23 ILE 81 HG23 ILE 81 5.157 -6.373 5.619 632 HD11 ILE 81 HD11 ILE 81 3.679 -5.035 3.853 633 HD12 ILE 81 HD12 ILE 81 1.918 -5.137 3.903 634 HD13 ILE 81 HD13 ILE 81 2.795 -5.729 2.494 635 H GLY 82 HN GLY 82 3.297 -7.755 0.549 636 HA2 GLY 82 HA2 GLY 82 2.126 -10.262 0.192 637 HA3 GLY 82 HA1 GLY 82 1.014 -9.290 1.143 638 H GLU 83 HN GLU 83 -0.190 -9.909 -0.928 639 HA GLU 83 HA GLU 83 0.018 -7.634 -2.765 640 HB2 GLU 83 HB2 GLU 83 -0.075 -10.550 -3.466 641 HB3 GLU 83 HB1 GLU 83 -0.776 -9.363 -4.554 642 HG2 GLU 83 HG2 GLU 83 1.442 -8.200 -4.563 643 HG3 GLU 83 HG1 GLU 83 2.087 -9.582 -3.679 644 H LEU 84 HN LEU 84 -2.060 -7.670 -4.211 645 HA LEU 84 HA LEU 84 -4.294 -7.762 -2.359 646 HB2 LEU 84 HB2 LEU 84 -3.585 -6.211 -4.654 647 HB3 LEU 84 HB1 LEU 84 -5.133 -6.977 -4.954 648 HG LEU 84 HG LEU 84 -5.339 -4.707 -3.982 649 HD11 LEU 84 HD11 LEU 84 -6.937 -5.315 -2.206 650 HD12 LEU 84 HD12 LEU 84 -6.333 -6.971 -2.260 651 HD13 LEU 84 HD13 LEU 84 -7.141 -6.282 -3.667 652 HD21 LEU 84 HD21 LEU 84 -3.312 -4.795 -2.582 653 HD22 LEU 84 HD22 LEU 84 -4.118 -5.953 -1.522 654 HD23 LEU 84 HD23 LEU 84 -4.743 -4.312 -1.675 655 H HIS 85 HN HIS 85 -6.090 -9.002 -2.579 656 HA HIS 85 HA HIS 85 -5.905 -11.582 -3.561 657 HB2 HIS 85 HB2 HIS 85 -7.985 -9.876 -2.454 658 HB3 HIS 85 HB1 HIS 85 -8.625 -11.008 -3.637 659 HD1 HIS 85 HD1 HIS 85 -6.613 -11.003 -0.426 660 HD2 HIS 85 HD2 HIS 85 -8.991 -13.545 -2.694 661 HE1 HIS 85 HE1 HIS 85 -6.903 -13.076 0.967 662 HE2 HIS 85 HE2 HIS 85 -8.443 -14.548 -0.371 663 HA PRO 86 HA PRO 86 -6.364 -11.268 -7.949 664 HB2 PRO 86 HB2 PRO 86 -7.634 -13.673 -8.393 665 HB3 PRO 86 HB1 PRO 86 -5.887 -13.488 -8.188 666 HG2 PRO 86 HG2 PRO 86 -7.931 -14.343 -6.195 667 HG3 PRO 86 HG1 PRO 86 -6.282 -14.948 -6.453 668 HD2 PRO 86 HD2 PRO 86 -6.858 -13.281 -4.438 669 HD3 PRO 86 HD1 PRO 86 -5.309 -13.196 -5.303 670 H ASP 87 HN ASP 87 -9.121 -12.191 -5.953 671 HA ASP 87 HA ASP 87 -11.123 -11.697 -7.896 672 HB2 ASP 87 HB2 ASP 87 -11.341 -11.638 -4.874 673 HB3 ASP 87 HB1 ASP 87 -12.691 -11.743 -5.999 674 H ASP 88 HN ASP 88 -9.325 -9.694 -5.747 675 HA ASP 88 HA ASP 88 -11.035 -7.374 -6.274 676 HB2 ASP 88 HB2 ASP 88 -8.728 -7.811 -4.362 677 HB3 ASP 88 HB1 ASP 88 -9.497 -6.247 -4.604 678 H ARG 89 HN ARG 89 -8.907 -8.872 -7.998 679 HA ARG 89 HA ARG 89 -7.450 -6.452 -8.823 680 HB2 ARG 89 HB2 ARG 89 -6.007 -8.152 -7.733 681 HB3 ARG 89 HB1 ARG 89 -6.463 -9.301 -8.983 682 HG2 ARG 89 HG2 ARG 89 -5.535 -7.603 -10.641 683 HG3 ARG 89 HG1 ARG 89 -4.811 -6.813 -9.239 684 HD2 ARG 89 HD2 ARG 89 -4.333 -9.631 -10.195 685 HD3 ARG 89 HD1 ARG 89 -3.185 -8.295 -10.201 686 HE ARG 89 HE ARG 89 -4.237 -9.087 -7.609 687 HH11 ARG 89 HH11 ARG 89 -1.631 -9.317 -9.961 688 HH12 ARG 89 HH12 ARG 89 -0.421 -9.852 -8.736 689 HH21 ARG 89 HH21 ARG 89 -2.738 -9.773 -6.024 690 HH22 ARG 89 HH22 ARG 89 -1.027 -10.107 -6.537 691 H SER 90 HN SER 90 -8.432 -9.674 -10.036 692 HA SER 90 HA SER 90 -8.736 -8.438 -12.687 693 HB2 SER 90 HB2 SER 90 -8.780 -11.332 -12.697 694 HB3 SER 90 HB1 SER 90 -7.684 -10.229 -13.529 695 HG SER 90 HG SER 90 -6.233 -10.619 -12.059 696 H LYS 91 HN LYS 91 -10.735 -8.847 -10.286 697 HA LYS 91 HA LYS 91 -12.885 -9.881 -12.012 698 HB2 LYS 91 HB2 LYS 91 -12.421 -10.453 -9.091 699 HB3 LYS 91 HB1 LYS 91 -13.992 -10.671 -9.845 700 HG2 LYS 91 HG2 LYS 91 -12.940 -12.247 -11.446 701 HG3 LYS 91 HG1 LYS 91 -11.433 -12.091 -10.541 702 HD2 LYS 91 HD2 LYS 91 -12.529 -12.941 -8.538 703 HD3 LYS 91 HD1 LYS 91 -14.059 -13.050 -9.407 704 HE2 LYS 91 HE2 LYS 91 -11.562 -14.529 -10.208 705 HE3 LYS 91 HE1 LYS 91 -12.821 -15.214 -9.181 706 HZ1 LYS 91 HZ1 LYS 91 -13.223 -15.909 -11.402 707 HZ2 LYS 91 HZ2 LYS 91 -13.087 -14.337 -12.002 708 HZ3 LYS 91 HZ3 LYS 91 -14.403 -14.758 -11.029 709 H LEU 92 HN LEU 92 -12.617 -8.285 -8.833 710 HA LEU 92 HA LEU 92 -13.574 -6.422 -7.964 711 HB2 LEU 92 HB2 LEU 92 -13.630 -5.736 -10.878 712 HB3 LEU 92 HB1 LEU 92 -14.482 -4.713 -9.741 713 HG LEU 92 HG LEU 92 -12.400 -3.680 -10.065 714 HD11 LEU 92 HD11 LEU 92 -11.404 -3.666 -7.916 715 HD12 LEU 92 HD12 LEU 92 -11.973 -5.298 -7.566 716 HD13 LEU 92 HD13 LEU 92 -13.126 -3.966 -7.684 717 HD21 LEU 92 HD21 LEU 92 -11.075 -6.350 -9.608 718 HD22 LEU 92 HD22 LEU 92 -10.257 -4.817 -9.914 719 HD23 LEU 92 HD23 LEU 92 -11.267 -5.543 -11.164 720 H SER 93 HN SER 93 -15.098 -8.843 -8.662 721 HA SER 93 HA SER 93 -17.778 -7.850 -9.179 722 HB2 SER 93 HB2 SER 93 -17.172 -10.694 -8.474 723 HB3 SER 93 HB1 SER 93 -18.360 -10.053 -9.608 724 HG SER 93 HG SER 93 -16.909 -10.068 -11.141 725 H LYS 94 HN LYS 94 -16.914 -6.732 -6.872 726 HA LYS 94 HA LYS 94 -18.435 -8.200 -4.831 727 HB2 LYS 94 HB2 LYS 94 -15.740 -6.898 -4.581 728 HB3 LYS 94 HB1 LYS 94 -16.785 -7.065 -3.176 729 HG2 LYS 94 HG2 LYS 94 -16.694 -9.396 -3.230 730 HG3 LYS 94 HG1 LYS 94 -16.104 -9.425 -4.891 731 HD2 LYS 94 HD2 LYS 94 -14.299 -9.985 -3.401 732 HD3 LYS 94 HD1 LYS 94 -13.987 -8.403 -4.111 733 HE2 LYS 94 HE2 LYS 94 -14.904 -7.358 -2.045 734 HE3 LYS 94 HE1 LYS 94 -15.040 -8.969 -1.340 735 HZ1 LYS 94 HZ1 LYS 94 -12.681 -9.229 -1.471 736 HZ2 LYS 94 HZ2 LYS 94 -12.997 -7.762 -0.687 737 HZ3 LYS 94 HZ3 LYS 94 -12.498 -7.773 -2.316 738 HA PRO 95 HA PRO 95 -20.634 -4.351 -4.624 739 HB2 PRO 95 HB2 PRO 95 -22.088 -4.845 -2.395 740 HB3 PRO 95 HB1 PRO 95 -22.441 -5.619 -3.946 741 HG2 PRO 95 HG2 PRO 95 -20.973 -6.711 -1.592 742 HG3 PRO 95 HG1 PRO 95 -22.159 -7.507 -2.645 743 HD2 PRO 95 HD2 PRO 95 -19.481 -7.877 -2.890 744 HD3 PRO 95 HD1 PRO 95 -20.604 -7.982 -4.260 745 H MET 96 HN MET 96 -20.685 -2.418 -3.392 746 HA MET 96 HA MET 96 -18.708 -2.337 -1.213 747 HB2 MET 96 HB2 MET 96 -18.017 -1.148 -3.284 748 HB3 MET 96 HB1 MET 96 -19.428 -0.113 -3.127 749 HG2 MET 96 HG2 MET 96 -18.597 0.740 -1.019 750 HG3 MET 96 HG1 MET 96 -17.201 -0.333 -1.119 751 HE1 MET 96 HE1 MET 96 -19.056 2.727 -2.617 752 HE2 MET 96 HE2 MET 96 -18.898 1.740 -4.070 753 HE3 MET 96 HE3 MET 96 -17.991 3.243 -3.924 754 H GLU 97 HN GLU 97 -21.255 -0.151 -2.405 755 HA GLU 97 HA GLU 97 -22.982 0.906 -1.386 756 HB2 GLU 97 HB2 GLU 97 -23.774 -1.300 -0.757 757 HB3 GLU 97 HB1 GLU 97 -22.686 -1.338 0.622 758 HG2 GLU 97 HG2 GLU 97 -23.939 0.657 1.514 759 HG3 GLU 97 HG1 GLU 97 -25.125 0.367 0.241 760 H THR 98 HN THR 98 -22.762 2.858 -0.467 761 HA THR 98 HA THR 98 -21.692 3.177 2.157 762 HB THR 98 HB THR 98 -19.597 2.910 0.819 763 HG1 THR 98 HG1 THR 98 -18.613 4.808 1.743 764 HG21 THR 98 HG21 THR 98 -20.426 5.547 -0.404 765 HG22 THR 98 HG22 THR 98 -20.347 3.999 -1.248 766 HG23 THR 98 HG23 THR 98 -18.873 4.743 -0.628 767 H LEU 99 HN LEU 99 -21.347 5.610 2.623 768 HA LEU 99 HA LEU 99 -22.334 7.620 2.945 769 HB2 LEU 99 HB2 LEU 99 -22.665 7.370 -0.038 770 HB3 LEU 99 HB1 LEU 99 -23.070 8.827 0.848 771 HG LEU 99 HG LEU 99 -20.329 7.580 0.610 772 HD11 LEU 99 HD11 LEU 99 -21.073 8.719 -1.408 773 HD12 LEU 99 HD12 LEU 99 -19.781 9.618 -0.612 774 HD13 LEU 99 HD13 LEU 99 -21.453 10.160 -0.465 775 HD21 LEU 99 HD21 LEU 99 -20.454 8.518 2.784 776 HD22 LEU 99 HD22 LEU 99 -21.309 9.944 2.194 777 HD23 LEU 99 HD23 LEU 99 -19.615 9.695 1.773 778 H ILE 100 HN ILE 100 -23.947 5.545 3.648 779 HA ILE 100 HA ILE 100 -26.577 5.984 2.522 780 HB ILE 100 HB ILE 100 -27.340 4.289 4.166 781 HG12 ILE 100 HG12 ILE 100 -24.408 4.024 4.858 782 HG13 ILE 100 HG11 ILE 100 -25.598 4.809 5.891 783 HG21 ILE 100 HG21 ILE 100 -24.971 3.503 2.478 784 HG22 ILE 100 HG22 ILE 100 -26.646 3.612 1.946 785 HG23 ILE 100 HG23 ILE 100 -26.176 2.391 3.126 786 HD11 ILE 100 HD11 ILE 100 -25.296 2.631 6.733 787 HD12 ILE 100 HD12 ILE 100 -25.432 1.913 5.126 788 HD13 ILE 100 HD13 ILE 100 -26.849 2.626 5.899 789 H THR 101 HN THR 101 -24.750 6.946 5.325 790 HA THR 101 HA THR 101 -27.134 8.162 6.526 791 HB THR 101 HB THR 101 -25.124 8.525 8.348 792 HG1 THR 101 HG1 THR 101 -24.246 6.213 8.309 793 HG21 THR 101 HG21 THR 101 -26.088 6.585 9.527 794 HG22 THR 101 HG22 THR 101 -26.925 6.116 8.047 795 HG23 THR 101 HG23 THR 101 -27.335 7.633 8.850 796 H THR 102 HN THR 102 -27.103 10.347 7.192 797 HA THR 102 HA THR 102 -25.500 12.068 5.516 798 HB THR 102 HB THR 102 -26.877 13.755 7.153 799 HG1 THR 102 HG1 THR 102 -28.759 12.826 7.771 800 HG21 THR 102 HG21 THR 102 -26.903 13.761 4.696 801 HG22 THR 102 HG22 THR 102 -28.531 13.908 5.357 802 HG23 THR 102 HG23 THR 102 -27.980 12.363 4.704 803 H VAL 103 HN VAL 103 -23.434 12.220 6.185 804 HA VAL 103 HA VAL 103 -22.844 12.569 9.021 805 HB VAL 103 HB VAL 103 -20.448 12.469 8.260 806 HG11 VAL 103 HG11 VAL 103 -22.213 10.131 7.560 807 HG12 VAL 103 HG12 VAL 103 -21.589 10.526 9.161 808 HG13 VAL 103 HG13 VAL 103 -20.480 10.054 7.873 809 HG21 VAL 103 HG21 VAL 103 -19.976 11.622 6.025 810 HG22 VAL 103 HG22 VAL 103 -20.797 13.181 5.941 811 HG23 VAL 103 HG23 VAL 103 -21.693 11.696 5.619 812 H ASP 104 HN ASP 104 -24.054 14.629 7.125 813 HA ASP 104 HA ASP 104 -22.244 16.808 7.864 814 HB2 ASP 104 HB2 ASP 104 -22.247 17.781 5.763 815 HB3 ASP 104 HB1 ASP 104 -22.244 16.075 5.331 816 HHB HEM 400 HB HEM 400 11.107 4.786 -1.569 817 HHC HEM 400 HC HEM 400 4.870 5.143 -2.581 818 HHD HEM 400 HD HEM 400 5.559 11.061 -4.699 819 HMA HEM 400 HMA1 HEM 400 13.502 5.176 -2.451 820 HMAA HEM 400 HMA2 HEM 400 13.290 5.856 -0.839 821 HMAB HEM 400 HMA3 HEM 400 14.440 6.585 -1.955 822 HAA HEM 400 HAA1 HEM 400 14.391 9.029 -2.234 823 HAAA HEM 400 HAA2 HEM 400 13.665 9.912 -3.568 824 HBA HEM 400 HBA1 HEM 400 14.147 7.570 -4.810 825 HBAA HEM 400 HBA2 HEM 400 15.442 7.537 -3.613 826 HMB HEM 400 HMB1 HEM 400 9.553 2.138 -1.736 827 HMBA HEM 400 HMB2 HEM 400 8.650 2.360 -0.233 828 HMBB HEM 400 HMB3 HEM 400 10.180 3.203 -0.492 829 HAB HEM 400 HAB HEM 400 6.477 2.014 -1.699 830 HBB HEM 400 HBB1 HEM 400 4.559 4.328 -0.841 831 HBBA HEM 400 HBB2 HEM 400 4.214 2.439 -0.906 832 HMC HEM 400 HMC1 HEM 400 2.059 7.296 -3.935 833 HMCA HEM 400 HMC2 HEM 400 2.588 6.693 -2.360 834 HMCB HEM 400 HMC3 HEM 400 2.965 5.796 -3.835 835 HAC HEM 400 HAC HEM 400 3.243 10.212 -5.268 836 HBC HEM 400 HBC1 HEM 400 2.027 9.532 -2.469 837 HBCA HEM 400 HBC2 HEM 400 1.357 10.728 -3.814 838 HMD HEM 400 HMD1 HEM 400 6.687 13.344 -4.519 839 HMDA HEM 400 HMD2 HEM 400 6.833 12.750 -6.177 840 HMDB HEM 400 HMD3 HEM 400 8.065 13.816 -5.495 841 HAD HEM 400 HAD1 HEM 400 10.157 13.707 -4.637 842 HADA HEM 400 HAD2 HEM 400 11.423 12.497 -4.536 843 HBD HEM 400 HBD1 HEM 400 9.751 12.755 -7.024 844 HBDA HEM 400 HBD2 HEM 400 11.362 12.057 -6.841 845 HHA HEM 400 HA HEM 400 11.831 10.578 -4.019
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