NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
619966 | 5x4f | 36060 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 9.375 -12.296 -12.274 2 H2 MET 1 HT2 MET 1 10.728 -13.312 -12.153 3 H3 MET 1 HT3 MET 1 10.932 -11.634 -12.279 4 HA MET 1 HA MET 1 9.481 -12.865 -10.032 5 HB2 MET 1 HB2 MET 1 12.418 -12.147 -10.173 6 HB3 MET 1 HB1 MET 1 11.560 -12.617 -8.713 7 HG2 MET 1 HG2 MET 1 12.010 -14.337 -11.141 8 HG3 MET 1 HG1 MET 1 12.854 -14.461 -9.599 9 HE1 MET 1 HE1 MET 1 10.063 -15.690 -7.185 10 HE2 MET 1 HE2 MET 1 10.601 -14.036 -7.467 11 HE3 MET 1 HE3 MET 1 11.782 -15.343 -7.378 12 H SER 2 HN SER 2 8.130 -10.945 -10.587 13 HA SER 2 HA SER 2 9.362 -8.458 -9.610 14 HB2 SER 2 HB2 SER 2 7.176 -8.712 -11.691 15 HB3 SER 2 HB1 SER 2 7.930 -7.214 -11.145 16 HG SER 2 HG SER 2 9.177 -7.602 -12.817 17 H GLU 3 HN GLU 3 8.653 -8.430 -7.534 18 HA GLU 3 HA GLU 3 5.934 -9.002 -6.851 19 HB2 GLU 3 HB2 GLU 3 8.172 -7.838 -5.210 20 HB3 GLU 3 HB1 GLU 3 6.641 -8.411 -4.572 21 HG2 GLU 3 HG2 GLU 3 8.658 -10.116 -6.005 22 HG3 GLU 3 HG1 GLU 3 8.522 -9.962 -4.257 23 H TYR 4 HN TYR 4 4.310 -7.478 -6.385 24 HA TYR 4 HA TYR 4 5.018 -4.668 -6.634 25 HB2 TYR 4 HB2 TYR 4 3.387 -4.270 -8.360 26 HB3 TYR 4 HB1 TYR 4 4.435 -5.568 -8.918 27 HD1 TYR 4 HD1 TYR 4 1.163 -4.769 -7.539 28 HD2 TYR 4 HD2 TYR 4 3.533 -7.741 -9.406 29 HE1 TYR 4 HE1 TYR 4 -0.850 -6.080 -7.930 30 HE2 TYR 4 HE2 TYR 4 1.522 -9.102 -9.811 31 HH TYR 4 HH TYR 4 -1.537 -7.952 -9.684 32 H ILE 5 HN ILE 5 2.767 -3.427 -6.213 33 HA ILE 5 HA ILE 5 1.312 -4.896 -4.113 34 HB ILE 5 HB ILE 5 1.289 -2.964 -2.708 35 HG12 ILE 5 HG12 ILE 5 2.977 -1.643 -4.846 36 HG13 ILE 5 HG11 ILE 5 1.322 -1.216 -4.434 37 HG21 ILE 5 HG21 ILE 5 3.654 -2.851 -2.074 38 HG22 ILE 5 HG22 ILE 5 4.084 -3.609 -3.606 39 HG23 ILE 5 HG23 ILE 5 3.136 -4.501 -2.417 40 HD11 ILE 5 HD11 ILE 5 2.930 0.370 -3.530 41 HD12 ILE 5 HD12 ILE 5 3.705 -0.927 -2.625 42 HD13 ILE 5 HD13 ILE 5 2.050 -0.457 -2.246 43 H ARG 6 HN ARG 6 -0.868 -3.795 -3.535 44 HA ARG 6 HA ARG 6 -1.997 -2.645 -6.017 45 HB2 ARG 6 HB2 ARG 6 -2.804 -4.909 -4.390 46 HB3 ARG 6 HB1 ARG 6 -4.056 -3.673 -4.351 47 HG2 ARG 6 HG2 ARG 6 -2.913 -4.612 -6.940 48 HG3 ARG 6 HG1 ARG 6 -4.254 -5.439 -6.135 49 HD2 ARG 6 HD2 ARG 6 -5.011 -2.839 -5.967 50 HD3 ARG 6 HD1 ARG 6 -4.200 -2.871 -7.532 51 HE ARG 6 HE ARG 6 -6.520 -4.446 -6.730 52 HH11 ARG 6 HH11 ARG 6 -4.457 -3.230 -9.281 53 HH12 ARG 6 HH12 ARG 6 -5.520 -3.739 -10.553 54 HH21 ARG 6 HH21 ARG 6 -7.918 -5.114 -8.425 55 HH22 ARG 6 HH22 ARG 6 -7.464 -4.807 -10.075 56 H VAL 7 HN VAL 7 -3.068 -0.626 -5.770 57 HA VAL 7 HA VAL 7 -3.682 0.246 -3.015 58 HB VAL 7 HB VAL 7 -2.649 2.267 -4.942 59 HG11 VAL 7 HG11 VAL 7 -1.841 3.363 -2.938 60 HG12 VAL 7 HG12 VAL 7 -2.341 1.980 -1.965 61 HG13 VAL 7 HG13 VAL 7 -3.553 2.960 -2.792 62 HG21 VAL 7 HG21 VAL 7 -0.923 0.657 -5.205 63 HG22 VAL 7 HG22 VAL 7 -0.854 0.344 -3.474 64 HG23 VAL 7 HG23 VAL 7 -0.314 1.898 -4.109 65 H THR 8 HN THR 8 -5.673 1.346 -2.852 66 HA THR 8 HA THR 8 -6.369 3.100 -5.024 67 HB THR 8 HB THR 8 -7.583 1.320 -5.856 68 HG1 THR 8 HG1 THR 8 -9.766 2.250 -4.491 69 HG21 THR 8 HG21 THR 8 -8.693 -0.263 -4.720 70 HG22 THR 8 HG22 THR 8 -9.075 0.775 -3.345 71 HG23 THR 8 HG23 THR 8 -7.446 0.113 -3.535 72 H GLU 9 HN GLU 9 -7.895 4.813 -4.400 73 HA GLU 9 HA GLU 9 -7.351 5.623 -1.738 74 HB2 GLU 9 HB2 GLU 9 -7.807 7.053 -3.778 75 HB3 GLU 9 HB1 GLU 9 -9.507 6.868 -3.402 76 HG2 GLU 9 HG2 GLU 9 -9.012 7.847 -1.156 77 HG3 GLU 9 HG1 GLU 9 -7.364 8.109 -1.693 78 H ASP 10 HN ASP 10 -10.164 4.316 -3.284 79 HA ASP 10 HA ASP 10 -11.229 3.695 -0.634 80 HB2 ASP 10 HB2 ASP 10 -12.698 5.346 -1.876 81 HB3 ASP 10 HB1 ASP 10 -12.900 4.109 -3.112 82 H GLU 11 HN GLU 11 -12.249 1.683 -0.576 83 HA GLU 11 HA GLU 11 -10.720 -0.358 -1.736 84 HB2 GLU 11 HB2 GLU 11 -13.468 -0.976 -0.817 85 HB3 GLU 11 HB1 GLU 11 -11.946 -1.733 -0.359 86 HG2 GLU 11 HG2 GLU 11 -11.480 0.359 0.969 87 HG3 GLU 11 HG1 GLU 11 -13.153 0.811 0.672 88 H ASN 12 HN ASN 12 -13.671 1.248 -2.534 89 HA ASN 12 HA ASN 12 -13.925 -0.373 -4.970 90 HB2 ASN 12 HB2 ASN 12 -15.820 -0.435 -3.354 91 HB3 ASN 12 HB1 ASN 12 -16.084 1.254 -3.724 92 HD21 ASN 12 HD21 ASN 12 -16.201 -1.992 -4.915 93 HD22 ASN 12 HD22 ASN 12 -17.212 -1.672 -6.278 94 H ASP 13 HN ASP 13 -12.141 2.056 -4.523 95 HA ASP 13 HA ASP 13 -13.298 3.842 -6.526 96 HB2 ASP 13 HB2 ASP 13 -11.531 4.619 -4.768 97 HB3 ASP 13 HB1 ASP 13 -10.374 3.780 -5.765 98 H GLU 14 HN GLU 14 -10.206 3.615 -7.337 99 HA GLU 14 HA GLU 14 -10.566 1.277 -9.093 100 HB2 GLU 14 HB2 GLU 14 -10.475 3.654 -10.108 101 HB3 GLU 14 HB1 GLU 14 -8.750 3.547 -9.786 102 HG2 GLU 14 HG2 GLU 14 -9.506 2.848 -12.092 103 HG3 GLU 14 HG1 GLU 14 -8.466 1.720 -11.229 104 HA PRO 15 HA PRO 15 -6.978 0.216 -6.459 105 HB2 PRO 15 HB2 PRO 15 -7.309 -2.453 -6.710 106 HB3 PRO 15 HB1 PRO 15 -8.155 -1.486 -5.498 107 HG2 PRO 15 HG2 PRO 15 -9.034 -2.416 -8.158 108 HG3 PRO 15 HG1 PRO 15 -9.902 -2.474 -6.610 109 HD2 PRO 15 HD2 PRO 15 -10.432 -0.589 -8.461 110 HD3 PRO 15 HD1 PRO 15 -10.477 -0.224 -6.722 111 H ILE 16 HN ILE 16 -4.989 -0.260 -7.194 112 HA ILE 16 HA ILE 16 -4.721 -0.882 -10.040 113 HB ILE 16 HB ILE 16 -2.905 0.881 -10.092 114 HG12 ILE 16 HG12 ILE 16 -3.517 1.003 -7.353 115 HG13 ILE 16 HG11 ILE 16 -2.424 2.045 -8.238 116 HG21 ILE 16 HG21 ILE 16 -4.481 2.678 -10.531 117 HG22 ILE 16 HG22 ILE 16 -5.729 1.768 -9.687 118 HG23 ILE 16 HG23 ILE 16 -5.054 1.141 -11.188 119 HD11 ILE 16 HD11 ILE 16 -3.922 3.443 -7.047 120 HD12 ILE 16 HD12 ILE 16 -5.325 2.526 -7.612 121 HD13 ILE 16 HD13 ILE 16 -4.398 3.524 -8.746 122 H GLU 17 HN GLU 17 -2.868 -1.962 -10.643 123 HA GLU 17 HA GLU 17 -1.292 -3.099 -8.440 124 HB2 GLU 17 HB2 GLU 17 -1.604 -3.910 -11.321 125 HB3 GLU 17 HB1 GLU 17 -0.503 -4.683 -10.183 126 HG2 GLU 17 HG2 GLU 17 -2.229 -5.583 -8.925 127 HG3 GLU 17 HG1 GLU 17 -3.420 -4.443 -9.551 128 H ILE 18 HN ILE 18 0.762 -2.539 -8.130 129 HA ILE 18 HA ILE 18 2.184 -1.059 -10.235 130 HB ILE 18 HB ILE 18 2.850 0.756 -8.712 131 HG12 ILE 18 HG12 ILE 18 0.722 -0.297 -6.838 132 HG13 ILE 18 HG11 ILE 18 2.454 -0.494 -6.586 133 HG21 ILE 18 HG21 ILE 18 -0.129 0.497 -9.074 134 HG22 ILE 18 HG22 ILE 18 1.024 1.130 -10.250 135 HG23 ILE 18 HG23 ILE 18 0.740 1.996 -8.741 136 HD11 ILE 18 HD11 ILE 18 0.988 2.128 -6.745 137 HD12 ILE 18 HD12 ILE 18 2.720 1.922 -6.474 138 HD13 ILE 18 HD13 ILE 18 1.563 1.346 -5.273 139 HA PRO 19 HA PRO 19 5.576 -3.427 -8.664 140 HB2 PRO 19 HB2 PRO 19 7.380 -1.587 -10.026 141 HB3 PRO 19 HB1 PRO 19 7.001 -3.265 -10.417 142 HG2 PRO 19 HG2 PRO 19 6.214 -1.180 -11.962 143 HG3 PRO 19 HG1 PRO 19 5.288 -2.685 -11.829 144 HD2 PRO 19 HD2 PRO 19 4.827 -0.048 -10.485 145 HD3 PRO 19 HD1 PRO 19 3.648 -1.169 -11.201 146 H SER 20 HN SER 20 7.257 -3.340 -7.159 147 HA SER 20 HA SER 20 7.711 -0.747 -5.853 148 HB2 SER 20 HB2 SER 20 7.285 -3.382 -4.455 149 HB3 SER 20 HB1 SER 20 7.574 -1.830 -3.675 150 HG SER 20 HG SER 20 5.390 -2.135 -3.666 151 H GLU 21 HN GLU 21 9.640 -0.846 -4.344 152 HA GLU 21 HA GLU 21 11.910 -1.894 -5.738 153 HB2 GLU 21 HB2 GLU 21 11.892 0.296 -4.572 154 HB3 GLU 21 HB1 GLU 21 11.790 -0.576 -3.056 155 HG2 GLU 21 HG2 GLU 21 13.954 -1.421 -3.249 156 HG3 GLU 21 HG1 GLU 21 14.033 -1.052 -4.972 157 H ASP 22 HN ASP 22 13.398 -3.347 -5.041 158 HA ASP 22 HA ASP 22 12.343 -5.828 -4.433 159 HB2 ASP 22 HB2 ASP 22 15.163 -5.011 -3.894 160 HB3 ASP 22 HB1 ASP 22 14.594 -6.610 -4.356 161 H ASP 23 HN ASP 23 13.316 -3.347 -2.299 162 HA ASP 23 HA ASP 23 14.020 -5.078 -0.086 163 HB2 ASP 23 HB2 ASP 23 15.075 -2.928 -0.226 164 HB3 ASP 23 HB1 ASP 23 13.522 -2.107 -0.217 165 H GLY 24 HN GLY 24 11.301 -4.267 -1.622 166 HA2 GLY 24 HA2 GLY 24 9.062 -4.701 -1.097 167 HA3 GLY 24 HA1 GLY 24 9.525 -5.027 0.576 168 H THR 25 HN THR 25 10.578 -2.276 -1.166 169 HA THR 25 HA THR 25 9.233 -0.548 0.775 170 HB THR 25 HB THR 25 11.991 -1.218 0.430 171 HG1 THR 25 HG1 THR 25 12.058 -0.507 2.420 172 HG21 THR 25 HG21 THR 25 11.989 0.639 -1.187 173 HG22 THR 25 HG22 THR 25 13.059 0.901 0.191 174 HG23 THR 25 HG23 THR 25 11.504 1.734 0.105 175 H VAL 26 HN VAL 26 8.914 1.643 0.063 176 HA VAL 26 HA VAL 26 9.444 2.273 -2.701 177 HB VAL 26 HB VAL 26 6.998 3.217 -2.702 178 HG11 VAL 26 HG11 VAL 26 6.249 1.175 -3.842 179 HG12 VAL 26 HG12 VAL 26 7.630 0.307 -3.162 180 HG13 VAL 26 HG13 VAL 26 7.891 1.611 -4.323 181 HG21 VAL 26 HG21 VAL 26 6.314 2.616 -0.530 182 HG22 VAL 26 HG22 VAL 26 6.923 0.977 -0.742 183 HG23 VAL 26 HG23 VAL 26 5.490 1.505 -1.628 184 H LEU 27 HN LEU 27 9.349 4.522 -3.156 185 HA LEU 27 HA LEU 27 10.135 6.241 -1.028 186 HB2 LEU 27 HB2 LEU 27 9.524 7.907 -3.131 187 HB3 LEU 27 HB1 LEU 27 11.077 7.098 -2.892 188 HG LEU 27 HG LEU 27 10.030 5.185 -4.287 189 HD11 LEU 27 HD11 LEU 27 8.380 6.389 -5.959 190 HD12 LEU 27 HD12 LEU 27 8.033 7.371 -4.515 191 HD13 LEU 27 HD13 LEU 27 7.806 5.613 -4.479 192 HD21 LEU 27 HD21 LEU 27 11.835 6.642 -5.068 193 HD22 LEU 27 HD22 LEU 27 10.648 7.845 -5.572 194 HD23 LEU 27 HD23 LEU 27 10.700 6.270 -6.364 195 H LEU 28 HN LEU 28 8.586 6.585 0.515 196 HA LEU 28 HA LEU 28 5.827 6.562 -0.069 197 HB2 LEU 28 HB2 LEU 28 5.839 6.131 2.113 198 HB3 LEU 28 HB1 LEU 28 7.550 6.498 2.149 199 HG LEU 28 HG LEU 28 6.848 8.924 2.430 200 HD11 LEU 28 HD11 LEU 28 4.683 9.256 3.553 201 HD12 LEU 28 HD12 LEU 28 4.278 7.567 3.248 202 HD13 LEU 28 HD13 LEU 28 4.486 8.682 1.898 203 HD21 LEU 28 HD21 LEU 28 6.625 8.638 4.868 204 HD22 LEU 28 HD22 LEU 28 7.919 7.659 4.178 205 HD23 LEU 28 HD23 LEU 28 6.386 6.908 4.619 206 H SER 29 HN SER 29 8.082 9.136 0.799 207 HA SER 29 HA SER 29 6.274 11.273 0.707 208 HB2 SER 29 HB2 SER 29 8.400 12.646 0.431 209 HB3 SER 29 HB1 SER 29 8.360 11.575 1.833 210 HG SER 29 HG SER 29 10.171 10.833 1.053 211 H THR 30 HN THR 30 8.190 9.649 -1.705 212 HA THR 30 HA THR 30 7.809 11.609 -3.733 213 HB THR 30 HB THR 30 8.924 8.864 -3.632 214 HG1 THR 30 HG1 THR 30 10.238 11.182 -4.564 215 HG21 THR 30 HG21 THR 30 7.840 8.957 -5.668 216 HG22 THR 30 HG22 THR 30 9.554 9.179 -6.005 217 HG23 THR 30 HG23 THR 30 8.447 10.561 -6.049 218 H VAL 31 HN VAL 31 6.349 8.645 -2.701 219 HA VAL 31 HA VAL 31 4.353 8.412 -4.621 220 HB VAL 31 HB VAL 31 4.619 7.514 -1.775 221 HG11 VAL 31 HG11 VAL 31 2.183 7.061 -3.495 222 HG12 VAL 31 HG12 VAL 31 2.242 8.031 -2.023 223 HG13 VAL 31 HG13 VAL 31 2.515 6.290 -1.942 224 HG21 VAL 31 HG21 VAL 31 4.976 5.432 -2.698 225 HG22 VAL 31 HG22 VAL 31 5.672 6.496 -3.926 226 HG23 VAL 31 HG23 VAL 31 4.066 5.813 -4.162 227 H THR 32 HN THR 32 4.362 10.237 -1.532 228 HA THR 32 HA THR 32 1.675 11.029 -1.742 229 HB THR 32 HB THR 32 1.898 11.806 0.303 230 HG1 THR 32 HG1 THR 32 2.318 13.881 0.005 231 HG21 THR 32 HG21 THR 32 3.891 10.190 0.096 232 HG22 THR 32 HG22 THR 32 3.738 11.221 1.532 233 HG23 THR 32 HG23 THR 32 4.870 11.656 0.248 234 H ALA 33 HN ALA 33 4.438 12.282 -3.343 235 HA ALA 33 HA ALA 33 3.661 14.794 -4.155 236 HB1 ALA 33 HB1 ALA 33 4.802 12.831 -6.065 237 HB2 ALA 33 HB2 ALA 33 5.716 13.502 -4.728 238 HB3 ALA 33 HB3 ALA 33 5.084 14.572 -5.970 239 H GLN 34 HN GLN 34 1.221 13.488 -3.965 240 HA GLN 34 HA GLN 34 -0.299 14.209 -6.137 241 HB2 GLN 34 HB2 GLN 34 -0.736 11.944 -7.119 242 HB3 GLN 34 HB1 GLN 34 0.861 12.617 -7.490 243 HG2 GLN 34 HG2 GLN 34 1.181 11.157 -5.174 244 HG3 GLN 34 HG1 GLN 34 0.147 10.157 -6.200 245 HE21 GLN 34 HE21 GLN 34 3.305 11.709 -5.901 246 HE22 GLN 34 HE22 GLN 34 4.059 10.806 -7.185 247 H PHE 35 HN PHE 35 -2.294 12.399 -6.198 248 HA PHE 35 HA PHE 35 -2.796 11.651 -3.407 249 HB2 PHE 35 HB2 PHE 35 -4.510 12.040 -5.840 250 HB3 PHE 35 HB1 PHE 35 -5.128 11.267 -4.385 251 HD1 PHE 35 HD1 PHE 35 -3.166 13.293 -2.750 252 HD2 PHE 35 HD2 PHE 35 -6.385 13.672 -5.511 253 HE1 PHE 35 HE1 PHE 35 -3.706 15.503 -1.813 254 HE2 PHE 35 HE2 PHE 35 -6.923 15.887 -4.583 255 HZ PHE 35 HZ PHE 35 -5.583 16.804 -2.733 256 HA PRO 36 HA PRO 36 -2.250 7.458 -5.041 257 HB2 PRO 36 HB2 PRO 36 0.162 6.973 -4.262 258 HB3 PRO 36 HB1 PRO 36 -0.071 8.285 -5.436 259 HG2 PRO 36 HG2 PRO 36 0.395 8.457 -2.473 260 HG3 PRO 36 HG1 PRO 36 1.024 9.494 -3.769 261 HD2 PRO 36 HD2 PRO 36 -1.322 9.877 -2.175 262 HD3 PRO 36 HD1 PRO 36 -0.731 10.899 -3.511 263 H GLY 37 HN GLY 37 -2.966 8.552 -2.006 264 HA2 GLY 37 HA2 GLY 37 -3.337 7.154 -0.046 265 HA3 GLY 37 HA1 GLY 37 -2.006 6.135 -0.591 266 H ALA 38 HN ALA 38 -0.709 8.681 -1.408 267 HA ALA 38 HA ALA 38 0.866 10.111 -0.732 268 HB1 ALA 38 HB1 ALA 38 0.067 11.699 1.025 269 HB2 ALA 38 HB2 ALA 38 -1.367 10.676 1.160 270 HB3 ALA 38 HB3 ALA 38 -0.993 11.476 -0.367 271 H SER 39 HN SER 39 -0.325 9.605 2.561 272 HA SER 39 HA SER 39 2.437 8.971 3.303 273 HB2 SER 39 HB2 SER 39 2.164 11.390 3.445 274 HB3 SER 39 HB1 SER 39 0.733 11.172 4.449 275 HG SER 39 HG SER 39 2.292 9.950 5.869 276 H GLY 40 HN GLY 40 -0.543 7.935 3.313 277 HA2 GLY 40 HA2 GLY 40 -0.278 6.605 5.912 278 HA3 GLY 40 HA1 GLY 40 -1.748 7.505 5.562 279 H LEU 41 HN LEU 41 -1.268 4.566 5.970 280 HA LEU 41 HA LEU 41 -2.607 3.922 3.465 281 HB2 LEU 41 HB2 LEU 41 -0.247 2.645 4.576 282 HB3 LEU 41 HB1 LEU 41 -1.553 1.507 4.320 283 HG LEU 41 HG LEU 41 -0.196 1.492 2.377 284 HD11 LEU 41 HD11 LEU 41 -1.782 2.159 0.657 285 HD12 LEU 41 HD12 LEU 41 -2.683 3.097 1.849 286 HD13 LEU 41 HD13 LEU 41 -2.586 1.341 1.996 287 HD21 LEU 41 HD21 LEU 41 0.875 3.678 2.701 288 HD22 LEU 41 HD22 LEU 41 -0.643 4.461 2.246 289 HD23 LEU 41 HD23 LEU 41 0.244 3.498 1.061 290 H ARG 42 HN ARG 42 -4.225 2.561 3.453 291 HA ARG 42 HA ARG 42 -4.661 0.849 5.794 292 HB2 ARG 42 HB2 ARG 42 -6.917 1.871 4.118 293 HB3 ARG 42 HB1 ARG 42 -6.997 1.003 5.646 294 HG2 ARG 42 HG2 ARG 42 -6.088 2.904 6.821 295 HG3 ARG 42 HG1 ARG 42 -5.907 3.756 5.271 296 HD2 ARG 42 HD2 ARG 42 -8.267 3.581 4.865 297 HD3 ARG 42 HD1 ARG 42 -8.509 2.772 6.421 298 HE ARG 42 HE ARG 42 -8.080 5.609 5.946 299 HH11 ARG 42 HH11 ARG 42 -8.066 3.016 8.306 300 HH12 ARG 42 HH12 ARG 42 -8.244 4.075 9.670 301 HH21 ARG 42 HH21 ARG 42 -8.291 7.011 7.748 302 HH22 ARG 42 HH22 ARG 42 -8.345 6.347 9.353 303 H TYR 43 HN TYR 43 -5.638 -1.299 4.955 304 HA TYR 43 HA TYR 43 -6.066 -1.331 2.111 305 HB2 TYR 43 HB2 TYR 43 -4.532 -3.193 1.634 306 HB3 TYR 43 HB1 TYR 43 -3.740 -1.689 2.121 307 HD1 TYR 43 HD1 TYR 43 -1.699 -2.897 2.580 308 HD2 TYR 43 HD2 TYR 43 -5.259 -3.802 4.678 309 HE1 TYR 43 HE1 TYR 43 -0.373 -4.078 4.304 310 HE2 TYR 43 HE2 TYR 43 -3.970 -4.996 6.397 311 HH TYR 43 HH TYR 43 -0.617 -4.725 6.679 312 H ARG 44 HN ARG 44 -6.784 -3.427 1.287 313 HA ARG 44 HA ARG 44 -8.470 -4.682 3.326 314 HB2 ARG 44 HB2 ARG 44 -9.067 -3.848 0.523 315 HB3 ARG 44 HB1 ARG 44 -9.947 -5.191 1.238 316 HG2 ARG 44 HG2 ARG 44 -9.785 -2.410 2.375 317 HG3 ARG 44 HG1 ARG 44 -11.140 -3.073 1.460 318 HD2 ARG 44 HD2 ARG 44 -11.386 -4.835 3.190 319 HD3 ARG 44 HD1 ARG 44 -10.111 -4.051 4.123 320 HE ARG 44 HE ARG 44 -12.054 -2.130 3.543 321 HH11 ARG 44 HH11 ARG 44 -11.769 -5.068 5.462 322 HH12 ARG 44 HH12 ARG 44 -12.983 -4.577 6.594 323 HH21 ARG 44 HH21 ARG 44 -13.609 -1.503 5.032 324 HH22 ARG 44 HH22 ARG 44 -14.015 -2.533 6.377 325 H ASN 45 HN ASN 45 -7.744 -6.643 3.781 326 HA ASN 45 HA ASN 45 -8.861 -8.522 3.594 327 HB2 ASN 45 HB2 ASN 45 -9.948 -9.426 1.837 328 HB3 ASN 45 HB1 ASN 45 -10.025 -7.694 1.580 329 HD21 ASN 45 HD21 ASN 45 -8.671 -10.699 0.430 330 HD22 ASN 45 HD22 ASN 45 -8.205 -10.103 -1.131 331 HA PRO 46 HA PRO 46 -5.954 -11.636 1.512 332 HB2 PRO 46 HB2 PRO 46 -3.435 -10.162 1.056 333 HB3 PRO 46 HB1 PRO 46 -4.235 -11.374 0.047 334 HG2 PRO 46 HG2 PRO 46 -4.281 -8.809 -0.639 335 HG3 PRO 46 HG1 PRO 46 -5.718 -9.831 -0.856 336 HD2 PRO 46 HD2 PRO 46 -5.111 -7.865 1.329 337 HD3 PRO 46 HD1 PRO 46 -6.611 -8.094 0.412 338 H VAL 47 HN VAL 47 -5.290 -9.393 3.897 339 HA VAL 47 HA VAL 47 -3.588 -11.258 5.361 340 HB VAL 47 HB VAL 47 -2.794 -9.059 5.529 341 HG11 VAL 47 HG11 VAL 47 -5.515 -8.150 6.381 342 HG12 VAL 47 HG12 VAL 47 -4.732 -7.800 4.841 343 HG13 VAL 47 HG13 VAL 47 -4.067 -7.143 6.337 344 HG21 VAL 47 HG21 VAL 47 -2.554 -10.216 7.576 345 HG22 VAL 47 HG22 VAL 47 -4.225 -9.856 8.025 346 HG23 VAL 47 HG23 VAL 47 -3.021 -8.559 7.971 347 H SER 48 HN SER 48 -5.699 -9.258 7.114 348 HA SER 48 HA SER 48 -7.301 -11.562 7.768 349 HB2 SER 48 HB2 SER 48 -6.371 -9.237 9.348 350 HB3 SER 48 HB1 SER 48 -7.701 -10.241 9.935 351 HG SER 48 HG SER 48 -6.266 -11.670 10.512 352 H GLN 49 HN GLN 49 -7.639 -9.427 5.621 353 HA GLN 49 HA GLN 49 -9.204 -8.048 4.684 354 HB2 GLN 49 HB2 GLN 49 -10.935 -9.515 6.607 355 HB3 GLN 49 HB1 GLN 49 -11.529 -8.296 5.505 356 HG2 GLN 49 HG2 GLN 49 -10.091 -9.837 3.846 357 HG3 GLN 49 HG1 GLN 49 -10.634 -11.008 5.031 358 HE21 GLN 49 HE21 GLN 49 -11.310 -10.467 2.195 359 HE22 GLN 49 HE22 GLN 49 -13.012 -10.288 2.170 360 H SER 50 HN SER 50 -7.838 -7.440 7.195 361 HA SER 50 HA SER 50 -9.425 -5.405 8.486 362 HB2 SER 50 HB2 SER 50 -6.510 -5.747 8.898 363 HB3 SER 50 HB1 SER 50 -7.728 -5.229 10.051 364 HG SER 50 HG SER 50 -8.359 -7.274 10.358 365 H MET 51 HN MET 51 -9.460 -3.278 7.979 366 HA MET 51 HA MET 51 -7.872 -2.200 5.872 367 HB2 MET 51 HB2 MET 51 -8.720 0.036 6.734 368 HB3 MET 51 HB1 MET 51 -9.947 -1.093 6.202 369 HG2 MET 51 HG2 MET 51 -10.520 -1.632 8.459 370 HG3 MET 51 HG1 MET 51 -9.147 -0.717 9.076 371 HE1 MET 51 HE1 MET 51 -12.633 -0.487 7.250 372 HE2 MET 51 HE2 MET 51 -11.537 0.323 6.130 373 HE3 MET 51 HE3 MET 51 -12.765 1.253 6.986 374 H ARG 52 HN ARG 52 -5.735 -2.717 6.502 375 HA ARG 52 HA ARG 52 -4.765 -1.134 8.789 376 HB2 ARG 52 HB2 ARG 52 -4.491 -3.415 9.386 377 HB3 ARG 52 HB1 ARG 52 -3.818 -3.824 7.829 378 HG2 ARG 52 HG2 ARG 52 -1.965 -2.153 8.438 379 HG3 ARG 52 HG1 ARG 52 -2.544 -2.406 10.094 380 HD2 ARG 52 HD2 ARG 52 -2.386 -4.890 9.564 381 HD3 ARG 52 HD1 ARG 52 -1.426 -4.411 8.170 382 HE ARG 52 HE ARG 52 -0.153 -3.114 10.122 383 HH11 ARG 52 HH11 ARG 52 -1.204 -6.458 9.958 384 HH12 ARG 52 HH12 ARG 52 0.104 -7.044 10.933 385 HH21 ARG 52 HH21 ARG 52 1.533 -3.868 11.405 386 HH22 ARG 52 HH22 ARG 52 1.652 -5.558 11.792 387 H GLY 53 HN GLY 53 -2.766 -0.229 8.642 388 HA2 GLY 53 HA2 GLY 53 -2.195 0.704 5.956 389 HA3 GLY 53 HA1 GLY 53 -1.753 1.521 7.441 390 H VAL 54 HN VAL 54 -0.079 1.452 5.519 391 HA VAL 54 HA VAL 54 1.776 -0.769 5.757 392 HB VAL 54 HB VAL 54 1.610 1.394 3.654 393 HG11 VAL 54 HG11 VAL 54 3.272 0.095 2.427 394 HG12 VAL 54 HG12 VAL 54 3.374 -1.057 3.759 395 HG13 VAL 54 HG13 VAL 54 3.917 0.606 3.987 396 HG21 VAL 54 HG21 VAL 54 0.789 -0.346 2.198 397 HG22 VAL 54 HG22 VAL 54 -0.223 -0.277 3.642 398 HG23 VAL 54 HG23 VAL 54 0.982 -1.551 3.469 399 H ARG 55 HN ARG 55 3.990 -0.433 6.093 400 HA ARG 55 HA ARG 55 4.614 1.297 8.215 401 HB2 ARG 55 HB2 ARG 55 5.915 -0.667 6.539 402 HB3 ARG 55 HB1 ARG 55 6.993 0.571 7.149 403 HG2 ARG 55 HG2 ARG 55 6.025 0.041 9.436 404 HG3 ARG 55 HG1 ARG 55 5.395 -1.433 8.662 405 HD2 ARG 55 HD2 ARG 55 7.575 -1.941 7.824 406 HD3 ARG 55 HD1 ARG 55 8.204 -0.458 8.516 407 HE ARG 55 HE ARG 55 7.527 -1.543 10.744 408 HH11 ARG 55 HH11 ARG 55 8.530 -3.335 7.919 409 HH12 ARG 55 HH12 ARG 55 9.179 -4.675 8.812 410 HH21 ARG 55 HH21 ARG 55 8.364 -3.323 11.951 411 HH22 ARG 55 HH22 ARG 55 9.044 -4.684 11.102 412 H LEU 56 HN LEU 56 5.470 3.315 8.269 413 HA LEU 56 HA LEU 56 6.844 4.235 5.853 414 HB2 LEU 56 HB2 LEU 56 6.167 6.511 6.224 415 HB3 LEU 56 HB1 LEU 56 4.763 5.487 6.101 416 HG LEU 56 HG LEU 56 4.170 7.013 7.725 417 HD11 LEU 56 HD11 LEU 56 4.030 5.901 9.846 418 HD12 LEU 56 HD12 LEU 56 5.316 4.789 9.381 419 HD13 LEU 56 HD13 LEU 56 3.768 4.750 8.534 420 HD21 LEU 56 HD21 LEU 56 6.307 8.112 7.962 421 HD22 LEU 56 HD22 LEU 56 6.902 6.783 8.958 422 HD23 LEU 56 HD23 LEU 56 5.583 7.799 9.540 423 H VAL 57 HN VAL 57 8.962 4.387 6.130 424 HA VAL 57 HA VAL 57 9.985 5.055 8.821 425 HB VAL 57 HB VAL 57 11.320 3.073 6.978 426 HG11 VAL 57 HG11 VAL 57 11.612 3.433 9.951 427 HG12 VAL 57 HG12 VAL 57 12.604 4.275 8.768 428 HG13 VAL 57 HG13 VAL 57 12.651 2.515 8.859 429 HG21 VAL 57 HG21 VAL 57 10.422 1.271 8.376 430 HG22 VAL 57 HG22 VAL 57 9.128 2.159 7.570 431 HG23 VAL 57 HG23 VAL 57 9.464 2.443 9.279 432 H GLU 58 HN GLU 58 11.017 6.940 8.617 433 HA GLU 58 HA GLU 58 12.327 8.635 7.836 434 HB2 GLU 58 HB2 GLU 58 13.986 6.528 6.472 435 HB3 GLU 58 HB1 GLU 58 14.516 8.053 7.170 436 HG2 GLU 58 HG2 GLU 58 13.833 7.139 9.405 437 HG3 GLU 58 HG1 GLU 58 13.608 5.588 8.598 438 H GLY 59 HN GLY 59 10.106 8.090 6.137 439 HA2 GLY 59 HA2 GLY 59 9.500 9.236 4.159 440 HA3 GLY 59 HA1 GLY 59 11.182 9.212 3.655 441 H ILE 60 HN ILE 60 10.647 6.161 4.667 442 HA ILE 60 HA ILE 60 10.027 5.249 1.952 443 HB ILE 60 HB ILE 60 10.777 3.393 4.129 444 HG12 ILE 60 HG12 ILE 60 12.709 4.963 2.500 445 HG13 ILE 60 HG11 ILE 60 12.400 5.269 4.205 446 HG21 ILE 60 HG21 ILE 60 10.024 2.941 1.662 447 HG22 ILE 60 HG22 ILE 60 11.314 2.003 2.390 448 HG23 ILE 60 HG23 ILE 60 11.705 3.333 1.306 449 HD11 ILE 60 HD11 ILE 60 13.742 2.960 2.903 450 HD12 ILE 60 HD12 ILE 60 12.927 2.816 4.451 451 HD13 ILE 60 HD13 ILE 60 14.264 3.951 4.277 452 H LEU 61 HN LEU 61 8.364 3.829 1.524 453 HA LEU 61 HA LEU 61 6.524 3.198 3.742 454 HB2 LEU 61 HB2 LEU 61 5.758 4.330 1.535 455 HB3 LEU 61 HB1 LEU 61 5.988 2.751 0.812 456 HG LEU 61 HG LEU 61 4.364 1.856 2.539 457 HD11 LEU 61 HD11 LEU 61 3.828 4.798 2.918 458 HD12 LEU 61 HD12 LEU 61 4.498 3.698 4.123 459 HD13 LEU 61 HD13 LEU 61 2.843 3.481 3.553 460 HD21 LEU 61 HD21 LEU 61 3.375 3.907 0.560 461 HD22 LEU 61 HD22 LEU 61 2.405 2.625 1.286 462 HD23 LEU 61 HD23 LEU 61 3.742 2.217 0.210 463 H HIS 62 HN HIS 62 6.904 1.153 4.631 464 HA HIS 62 HA HIS 62 8.179 -0.776 2.798 465 HB2 HIS 62 HB2 HIS 62 9.524 0.126 4.771 466 HB3 HIS 62 HB1 HIS 62 8.446 -0.809 5.800 467 HD1 HIS 62 HD1 HIS 62 10.448 -2.284 6.576 468 HD2 HIS 62 HD2 HIS 62 9.680 -2.443 2.493 469 HE1 HIS 62 HE1 HIS 62 11.727 -4.278 5.720 470 HE2 HIS 62 HE2 HIS 62 11.413 -4.214 3.218 471 H ALA 63 HN ALA 63 7.280 -2.669 2.450 472 HA ALA 63 HA ALA 63 4.980 -3.584 3.979 473 HB1 ALA 63 HB1 ALA 63 6.453 -4.827 1.647 474 HB2 ALA 63 HB2 ALA 63 4.976 -3.867 1.550 475 HB3 ALA 63 HB3 ALA 63 4.955 -5.436 2.354 476 HA PRO 64 HA PRO 64 7.302 -6.181 6.697 477 HB2 PRO 64 HB2 PRO 64 5.579 -8.510 6.197 478 HB3 PRO 64 HB1 PRO 64 5.765 -7.560 7.674 479 HG2 PRO 64 HG2 PRO 64 3.517 -7.434 6.229 480 HG3 PRO 64 HG1 PRO 64 4.185 -5.986 7.012 481 HD2 PRO 64 HD2 PRO 64 4.471 -6.896 4.159 482 HD3 PRO 64 HD1 PRO 64 4.008 -5.282 4.772 483 H ASP 65 HN ASP 65 8.663 -8.099 6.822 484 HA ASP 65 HA ASP 65 10.397 -8.235 4.713 485 HB2 ASP 65 HB2 ASP 65 9.831 -10.186 6.925 486 HB3 ASP 65 HB1 ASP 65 11.128 -10.469 5.769 487 H ALA 66 HN ALA 66 7.774 -10.468 5.406 488 HA ALA 66 HA ALA 66 7.749 -11.424 2.672 489 HB1 ALA 66 HB1 ALA 66 7.929 -13.811 3.530 490 HB2 ALA 66 HB2 ALA 66 8.547 -13.093 5.024 491 HB3 ALA 66 HB3 ALA 66 9.423 -12.868 3.511 492 H GLY 67 HN GLY 67 5.991 -10.002 4.533 493 HA2 GLY 67 HA2 GLY 67 4.158 -11.804 5.741 494 HA3 GLY 67 HA1 GLY 67 3.902 -10.083 5.498 495 H TRP 68 HN TRP 68 2.675 -9.392 3.778 496 HA TRP 68 HA TRP 68 1.282 -11.480 2.312 497 HB2 TRP 68 HB2 TRP 68 -0.165 -9.156 2.038 498 HB3 TRP 68 HB1 TRP 68 -0.444 -10.416 3.224 499 HD1 TRP 68 HD1 TRP 68 0.751 -6.824 2.959 500 HE1 TRP 68 HE1 TRP 68 1.076 -5.896 5.342 501 HE3 TRP 68 HE3 TRP 68 0.228 -11.144 5.554 502 HZ2 TRP 68 HZ2 TRP 68 1.100 -6.891 7.995 503 HZ3 TRP 68 HZ3 TRP 68 0.402 -11.104 8.020 504 HH2 TRP 68 HH2 TRP 68 0.835 -9.013 9.210 505 H GLY 69 HN GLY 69 1.427 -8.051 1.545 506 HA2 GLY 69 HA2 GLY 69 3.535 -7.620 0.048 507 HA3 GLY 69 HA1 GLY 69 2.668 -8.739 -0.977 508 H ASN 70 HN ASN 70 0.213 -8.045 -1.154 509 HA ASN 70 HA ASN 70 0.553 -5.471 -2.482 510 HB2 ASN 70 HB2 ASN 70 0.594 -6.306 -4.666 511 HB3 ASN 70 HB1 ASN 70 1.690 -7.315 -3.790 512 HD21 ASN 70 HD21 ASN 70 -0.044 -7.643 -6.246 513 HD22 ASN 70 HD22 ASN 70 -0.803 -9.170 -5.987 514 H LEU 71 HN LEU 71 -1.093 -6.636 -0.569 515 HA LEU 71 HA LEU 71 -3.727 -7.013 -1.165 516 HB2 LEU 71 HB2 LEU 71 -3.033 -4.863 0.761 517 HB3 LEU 71 HB1 LEU 71 -4.192 -6.172 0.951 518 HG LEU 71 HG LEU 71 -2.528 -6.700 2.491 519 HD11 LEU 71 HD11 LEU 71 -1.142 -8.557 1.466 520 HD12 LEU 71 HD12 LEU 71 -2.014 -8.185 -0.029 521 HD13 LEU 71 HD13 LEU 71 -2.900 -8.697 1.409 522 HD21 LEU 71 HD21 LEU 71 -0.779 -5.312 2.331 523 HD22 LEU 71 HD22 LEU 71 -0.760 -5.385 0.573 524 HD23 LEU 71 HD23 LEU 71 -0.038 -6.694 1.515 525 H VAL 72 HN VAL 72 -5.431 -5.523 -1.134 526 HA VAL 72 HA VAL 72 -4.860 -3.367 -3.026 527 HB VAL 72 HB VAL 72 -6.714 -4.654 -3.632 528 HG11 VAL 72 HG11 VAL 72 -8.316 -4.331 -1.212 529 HG12 VAL 72 HG12 VAL 72 -6.778 -5.195 -0.936 530 HG13 VAL 72 HG13 VAL 72 -7.951 -5.794 -2.147 531 HG21 VAL 72 HG21 VAL 72 -8.488 -3.082 -3.672 532 HG22 VAL 72 HG22 VAL 72 -6.979 -2.159 -3.640 533 HG23 VAL 72 HG23 VAL 72 -7.943 -2.326 -2.171 534 H TYR 73 HN TYR 73 -4.065 -1.651 -2.056 535 HA TYR 73 HA TYR 73 -4.605 -1.133 0.668 536 HB2 TYR 73 HB2 TYR 73 -3.260 0.619 -1.374 537 HB3 TYR 73 HB1 TYR 73 -3.206 0.838 0.369 538 HD1 TYR 73 HD1 TYR 73 -0.977 0.450 -1.757 539 HD2 TYR 73 HD2 TYR 73 -2.836 -2.153 1.030 540 HE1 TYR 73 HE1 TYR 73 1.071 -0.892 -1.655 541 HE2 TYR 73 HE2 TYR 73 -0.783 -3.510 1.144 542 HH TYR 73 HH TYR 73 1.231 -3.956 -0.359 543 H VAL 74 HN VAL 74 -5.737 0.351 1.620 544 HA VAL 74 HA VAL 74 -7.562 1.996 0.022 545 HB VAL 74 HB VAL 74 -7.366 1.038 2.844 546 HG11 VAL 74 HG11 VAL 74 -9.005 3.430 1.943 547 HG12 VAL 74 HG12 VAL 74 -7.701 3.430 3.137 548 HG13 VAL 74 HG13 VAL 74 -9.219 2.593 3.482 549 HG21 VAL 74 HG21 VAL 74 -9.761 0.522 2.437 550 HG22 VAL 74 HG22 VAL 74 -8.637 -0.276 1.342 551 HG23 VAL 74 HG23 VAL 74 -9.564 1.117 0.788 552 H VAL 75 HN VAL 75 -7.616 4.386 0.596 553 HA VAL 75 HA VAL 75 -4.788 5.154 0.835 554 HB VAL 75 HB VAL 75 -6.872 6.091 -1.122 555 HG11 VAL 75 HG11 VAL 75 -4.358 7.626 -0.635 556 HG12 VAL 75 HG12 VAL 75 -5.847 8.022 0.211 557 HG13 VAL 75 HG13 VAL 75 -5.794 8.087 -1.552 558 HG21 VAL 75 HG21 VAL 75 -3.929 5.485 -1.389 559 HG22 VAL 75 HG22 VAL 75 -5.103 5.730 -2.683 560 HG23 VAL 75 HG23 VAL 75 -5.216 4.309 -1.647 561 H ASN 76 HN ASN 76 -4.233 6.335 2.427 562 HA ASN 76 HA ASN 76 -6.207 8.099 3.732 563 HB2 ASN 76 HB2 ASN 76 -5.715 5.868 4.864 564 HB3 ASN 76 HB1 ASN 76 -4.080 6.458 5.099 565 HD21 ASN 76 HD21 ASN 76 -4.483 6.071 7.306 566 HD22 ASN 76 HD22 ASN 76 -5.335 7.230 8.261 567 H TYR 77 HN TYR 77 -5.439 10.191 3.872 568 HA TYR 77 HA TYR 77 -2.727 10.612 4.728 569 HB2 TYR 77 HB2 TYR 77 -2.562 12.502 3.007 570 HB3 TYR 77 HB1 TYR 77 -2.062 10.882 2.576 571 HD1 TYR 77 HD1 TYR 77 -3.306 9.620 0.966 572 HD2 TYR 77 HD2 TYR 77 -4.596 13.511 2.079 573 HE1 TYR 77 HE1 TYR 77 -4.857 9.638 -0.951 574 HE2 TYR 77 HE2 TYR 77 -6.127 13.569 0.155 575 HH TYR 77 HH TYR 77 -6.856 10.785 -1.713 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 7.144 -15.285 -6.120 2 H2 MET 1 HT2 MET 1 7.137 -14.082 -7.318 3 H3 MET 1 HT3 MET 1 6.466 -13.770 -5.790 4 HA MET 1 HA MET 1 8.517 -13.730 -4.730 5 HB2 MET 1 HB2 MET 1 9.445 -15.713 -5.888 6 HB3 MET 1 HB1 MET 1 9.703 -14.741 -7.328 7 HG2 MET 1 HG2 MET 1 11.416 -13.507 -6.336 8 HG3 MET 1 HG1 MET 1 10.961 -14.014 -4.710 9 HE1 MET 1 HE1 MET 1 12.229 -17.657 -4.496 10 HE2 MET 1 HE2 MET 1 10.594 -17.057 -4.783 11 HE3 MET 1 HE3 MET 1 11.633 -16.259 -3.601 12 H SER 2 HN SER 2 9.924 -11.883 -4.766 13 HA SER 2 HA SER 2 10.184 -9.644 -5.099 14 HB2 SER 2 HB2 SER 2 9.628 -10.359 -7.996 15 HB3 SER 2 HB1 SER 2 10.204 -8.787 -7.443 16 HG SER 2 HG SER 2 12.052 -9.751 -7.882 17 H GLU 3 HN GLU 3 8.322 -9.304 -3.819 18 HA GLU 3 HA GLU 3 5.742 -9.510 -5.020 19 HB2 GLU 3 HB2 GLU 3 6.480 -10.094 -2.582 20 HB3 GLU 3 HB1 GLU 3 6.206 -8.385 -2.287 21 HG2 GLU 3 HG2 GLU 3 4.296 -9.782 -1.703 22 HG3 GLU 3 HG1 GLU 3 3.907 -8.598 -2.949 23 H TYR 4 HN TYR 4 4.152 -7.856 -5.039 24 HA TYR 4 HA TYR 4 5.204 -5.126 -5.176 25 HB2 TYR 4 HB2 TYR 4 3.980 -4.766 -7.262 26 HB3 TYR 4 HB1 TYR 4 5.101 -6.109 -7.469 27 HD1 TYR 4 HD1 TYR 4 1.591 -5.176 -7.051 28 HD2 TYR 4 HD2 TYR 4 4.297 -8.330 -7.911 29 HE1 TYR 4 HE1 TYR 4 -0.287 -6.555 -7.764 30 HE2 TYR 4 HE2 TYR 4 2.424 -9.746 -8.642 31 HH TYR 4 HH TYR 4 -0.776 -8.498 -9.084 32 H ILE 5 HN ILE 5 3.007 -3.688 -5.484 33 HA ILE 5 HA ILE 5 1.123 -4.773 -3.501 34 HB ILE 5 HB ILE 5 1.015 -2.748 -2.349 35 HG12 ILE 5 HG12 ILE 5 2.900 -1.596 -4.418 36 HG13 ILE 5 HG11 ILE 5 1.193 -1.207 -4.249 37 HG21 ILE 5 HG21 ILE 5 3.291 -2.478 -1.470 38 HG22 ILE 5 HG22 ILE 5 3.916 -3.375 -2.854 39 HG23 ILE 5 HG23 ILE 5 2.861 -4.174 -1.686 40 HD11 ILE 5 HD11 ILE 5 2.558 0.557 -3.339 41 HD12 ILE 5 HD12 ILE 5 3.365 -0.589 -2.273 42 HD13 ILE 5 HD13 ILE 5 1.655 -0.232 -2.045 43 H ARG 6 HN ARG 6 -1.053 -3.752 -3.510 44 HA ARG 6 HA ARG 6 -1.533 -2.251 -5.999 45 HB2 ARG 6 HB2 ARG 6 -2.684 -4.313 -6.195 46 HB3 ARG 6 HB1 ARG 6 -3.155 -4.315 -4.486 47 HG2 ARG 6 HG2 ARG 6 -4.888 -2.813 -4.952 48 HG3 ARG 6 HG1 ARG 6 -4.185 -2.338 -6.516 49 HD2 ARG 6 HD2 ARG 6 -4.283 -4.890 -6.946 50 HD3 ARG 6 HD1 ARG 6 -5.536 -4.850 -5.741 51 HE ARG 6 HE ARG 6 -5.696 -3.073 -8.029 52 HH11 ARG 6 HH11 ARG 6 -6.882 -5.847 -6.292 53 HH12 ARG 6 HH12 ARG 6 -8.306 -6.039 -7.271 54 HH21 ARG 6 HH21 ARG 6 -7.588 -3.292 -9.347 55 HH22 ARG 6 HH22 ARG 6 -8.728 -4.560 -8.989 56 H VAL 7 HN VAL 7 -2.477 -0.243 -5.753 57 HA VAL 7 HA VAL 7 -3.399 0.478 -3.064 58 HB VAL 7 HB VAL 7 -1.189 1.208 -2.923 59 HG11 VAL 7 HG11 VAL 7 -1.478 2.060 -5.760 60 HG12 VAL 7 HG12 VAL 7 -0.270 0.999 -5.019 61 HG13 VAL 7 HG13 VAL 7 -0.217 2.739 -4.731 62 HG21 VAL 7 HG21 VAL 7 -1.282 3.649 -2.891 63 HG22 VAL 7 HG22 VAL 7 -2.732 2.921 -2.197 64 HG23 VAL 7 HG23 VAL 7 -2.776 3.591 -3.828 65 H THR 8 HN THR 8 -5.030 1.860 -2.984 66 HA THR 8 HA THR 8 -5.438 3.782 -5.081 67 HB THR 8 HB THR 8 -6.691 2.023 -6.034 68 HG1 THR 8 HG1 THR 8 -7.662 4.176 -5.933 69 HG21 THR 8 HG21 THR 8 -8.069 0.610 -4.956 70 HG22 THR 8 HG22 THR 8 -8.503 1.766 -3.694 71 HG23 THR 8 HG23 THR 8 -6.939 0.944 -3.641 72 H GLU 9 HN GLU 9 -7.297 5.320 -4.418 73 HA GLU 9 HA GLU 9 -7.008 5.938 -1.639 74 HB2 GLU 9 HB2 GLU 9 -8.745 7.067 -3.820 75 HB3 GLU 9 HB1 GLU 9 -8.857 7.611 -2.153 76 HG2 GLU 9 HG2 GLU 9 -6.789 8.598 -2.185 77 HG3 GLU 9 HG1 GLU 9 -6.228 7.639 -3.548 78 H ASP 10 HN ASP 10 -9.613 4.786 -3.683 79 HA ASP 10 HA ASP 10 -11.038 4.003 -1.240 80 HB2 ASP 10 HB2 ASP 10 -12.084 5.682 -3.110 81 HB3 ASP 10 HB1 ASP 10 -12.540 4.103 -3.756 82 H GLU 11 HN GLU 11 -12.162 2.092 -1.427 83 HA GLU 11 HA GLU 11 -10.361 0.064 -2.267 84 HB2 GLU 11 HB2 GLU 11 -13.210 -0.202 -1.287 85 HB3 GLU 11 HB1 GLU 11 -12.022 -1.497 -1.368 86 HG2 GLU 11 HG2 GLU 11 -10.696 -0.519 0.308 87 HG3 GLU 11 HG1 GLU 11 -11.595 0.991 0.240 88 H ASN 12 HN ASN 12 -13.134 1.590 -3.572 89 HA ASN 12 HA ASN 12 -12.968 -0.104 -5.942 90 HB2 ASN 12 HB2 ASN 12 -15.313 0.492 -6.331 91 HB3 ASN 12 HB1 ASN 12 -15.095 -0.405 -4.843 92 HD21 ASN 12 HD21 ASN 12 -16.008 2.572 -6.304 93 HD22 ASN 12 HD22 ASN 12 -16.599 3.337 -4.868 94 H ASP 13 HN ASP 13 -11.543 2.566 -5.132 95 HA ASP 13 HA ASP 13 -12.521 4.397 -7.138 96 HB2 ASP 13 HB2 ASP 13 -10.924 4.985 -5.145 97 HB3 ASP 13 HB1 ASP 13 -9.668 4.336 -6.168 98 H GLU 14 HN GLU 14 -9.292 4.201 -7.600 99 HA GLU 14 HA GLU 14 -9.461 2.005 -9.563 100 HB2 GLU 14 HB2 GLU 14 -9.086 4.353 -10.456 101 HB3 GLU 14 HB1 GLU 14 -7.523 4.313 -9.663 102 HG2 GLU 14 HG2 GLU 14 -6.847 2.401 -10.985 103 HG3 GLU 14 HG1 GLU 14 -8.430 2.349 -11.755 104 HA PRO 15 HA PRO 15 -6.289 0.662 -6.560 105 HB2 PRO 15 HB2 PRO 15 -7.060 -1.898 -6.417 106 HB3 PRO 15 HB1 PRO 15 -7.848 -0.639 -5.458 107 HG2 PRO 15 HG2 PRO 15 -8.646 -1.859 -8.031 108 HG3 PRO 15 HG1 PRO 15 -9.635 -1.559 -6.589 109 HD2 PRO 15 HD2 PRO 15 -9.660 0.053 -8.782 110 HD3 PRO 15 HD1 PRO 15 -9.928 0.665 -7.135 111 H ILE 16 HN ILE 16 -4.394 -0.011 -7.303 112 HA ILE 16 HA ILE 16 -4.319 -1.242 -9.958 113 HB ILE 16 HB ILE 16 -2.358 0.280 -10.403 114 HG12 ILE 16 HG12 ILE 16 -2.770 0.950 -7.705 115 HG13 ILE 16 HG11 ILE 16 -1.655 1.709 -8.819 116 HG21 ILE 16 HG21 ILE 16 -3.773 2.118 -11.104 117 HG22 ILE 16 HG22 ILE 16 -5.039 1.549 -10.017 118 HG23 ILE 16 HG23 ILE 16 -4.565 0.568 -11.404 119 HD11 ILE 16 HD11 ILE 16 -2.930 3.440 -7.834 120 HD12 ILE 16 HD12 ILE 16 -4.446 2.576 -8.126 121 HD13 ILE 16 HD13 ILE 16 -3.532 3.254 -9.484 122 H GLU 17 HN GLU 17 -2.936 -2.890 -10.183 123 HA GLU 17 HA GLU 17 -1.135 -3.581 -8.016 124 HB2 GLU 17 HB2 GLU 17 -1.698 -4.882 -10.663 125 HB3 GLU 17 HB1 GLU 17 -0.528 -5.480 -9.492 126 HG2 GLU 17 HG2 GLU 17 -2.196 -5.991 -7.928 127 HG3 GLU 17 HG1 GLU 17 -3.404 -5.037 -8.784 128 H ILE 18 HN ILE 18 0.925 -3.022 -7.937 129 HA ILE 18 HA ILE 18 2.245 -2.014 -10.353 130 HB ILE 18 HB ILE 18 3.056 -0.002 -9.127 131 HG12 ILE 18 HG12 ILE 18 0.873 -0.660 -7.145 132 HG13 ILE 18 HG11 ILE 18 2.592 -0.885 -6.844 133 HG21 ILE 18 HG21 ILE 18 0.078 -0.208 -9.519 134 HG22 ILE 18 HG22 ILE 18 1.280 0.216 -10.740 135 HG23 ILE 18 HG23 ILE 18 0.984 1.298 -9.379 136 HD11 ILE 18 HD11 ILE 18 1.800 1.156 -5.824 137 HD12 ILE 18 HD12 ILE 18 1.214 1.733 -7.385 138 HD13 ILE 18 HD13 ILE 18 2.944 1.517 -7.117 139 HA PRO 19 HA PRO 19 5.672 -4.180 -8.595 140 HB2 PRO 19 HB2 PRO 19 7.374 -2.509 -10.308 141 HB3 PRO 19 HB1 PRO 19 7.105 -4.253 -10.361 142 HG2 PRO 19 HG2 PRO 19 6.136 -2.611 -12.259 143 HG3 PRO 19 HG1 PRO 19 5.262 -4.064 -11.736 144 HD2 PRO 19 HD2 PRO 19 4.806 -1.200 -10.974 145 HD3 PRO 19 HD1 PRO 19 3.618 -2.460 -11.374 146 H SER 20 HN SER 20 6.565 -3.786 -6.709 147 HA SER 20 HA SER 20 7.243 -1.065 -5.933 148 HB2 SER 20 HB2 SER 20 7.195 -3.580 -4.273 149 HB3 SER 20 HB1 SER 20 7.319 -1.931 -3.669 150 HG SER 20 HG SER 20 5.189 -2.607 -3.513 151 H GLU 21 HN GLU 21 9.273 -0.843 -4.560 152 HA GLU 21 HA GLU 21 11.566 -1.700 -5.969 153 HB2 GLU 21 HB2 GLU 21 11.435 0.358 -4.574 154 HB3 GLU 21 HB1 GLU 21 11.383 -0.669 -3.156 155 HG2 GLU 21 HG2 GLU 21 13.595 0.201 -3.447 156 HG3 GLU 21 HG1 GLU 21 13.603 -1.541 -3.723 157 H ASP 22 HN ASP 22 12.906 -3.342 -5.673 158 HA ASP 22 HA ASP 22 11.949 -5.783 -4.750 159 HB2 ASP 22 HB2 ASP 22 14.776 -4.883 -5.076 160 HB3 ASP 22 HB1 ASP 22 14.263 -6.562 -4.999 161 H ASP 23 HN ASP 23 13.354 -3.243 -2.988 162 HA ASP 23 HA ASP 23 14.389 -4.880 -0.840 163 HB2 ASP 23 HB2 ASP 23 13.939 -1.906 -0.953 164 HB3 ASP 23 HB1 ASP 23 14.762 -2.781 0.332 165 H GLY 24 HN GLY 24 11.473 -4.216 -1.941 166 HA2 GLY 24 HA2 GLY 24 9.424 -4.814 -0.995 167 HA3 GLY 24 HA1 GLY 24 10.198 -4.967 0.581 168 H THR 25 HN THR 25 10.486 -2.219 -1.497 169 HA THR 25 HA THR 25 9.247 -0.568 0.576 170 HB THR 25 HB THR 25 12.003 -0.964 -0.015 171 HG1 THR 25 HG1 THR 25 12.227 0.512 1.781 172 HG21 THR 25 HG21 THR 25 11.682 0.776 -1.711 173 HG22 THR 25 HG22 THR 25 12.827 1.234 -0.448 174 HG23 THR 25 HG23 THR 25 11.190 1.898 -0.442 175 H VAL 26 HN VAL 26 8.672 1.607 -0.167 176 HA VAL 26 HA VAL 26 8.868 2.142 -2.995 177 HB VAL 26 HB VAL 26 6.391 2.948 -2.798 178 HG11 VAL 26 HG11 VAL 26 5.652 0.780 -3.731 179 HG12 VAL 26 HG12 VAL 26 7.182 0.069 -3.201 180 HG13 VAL 26 HG13 VAL 26 7.172 1.333 -4.437 181 HG21 VAL 26 HG21 VAL 26 5.916 2.436 -0.564 182 HG22 VAL 26 HG22 VAL 26 6.643 0.839 -0.715 183 HG23 VAL 26 HG23 VAL 26 5.104 1.183 -1.509 184 H LEU 27 HN LEU 27 8.525 4.348 -3.548 185 HA LEU 27 HA LEU 27 9.546 6.180 -1.617 186 HB2 LEU 27 HB2 LEU 27 8.674 7.735 -3.706 187 HB3 LEU 27 HB1 LEU 27 10.247 6.937 -3.628 188 HG LEU 27 HG LEU 27 9.046 4.964 -4.796 189 HD11 LEU 27 HD11 LEU 27 7.187 6.085 -6.296 190 HD12 LEU 27 HD12 LEU 27 7.023 7.137 -4.870 191 HD13 LEU 27 HD13 LEU 27 6.808 5.385 -4.720 192 HD21 LEU 27 HD21 LEU 27 10.725 6.325 -5.897 193 HD22 LEU 27 HD22 LEU 27 9.527 7.578 -6.224 194 HD23 LEU 27 HD23 LEU 27 9.390 6.003 -7.005 195 H LEU 28 HN LEU 28 8.168 6.572 0.093 196 HA LEU 28 HA LEU 28 5.356 6.581 -0.192 197 HB2 LEU 28 HB2 LEU 28 5.582 6.248 2.000 198 HB3 LEU 28 HB1 LEU 28 7.297 6.564 1.845 199 HG LEU 28 HG LEU 28 6.686 9.020 2.083 200 HD11 LEU 28 HD11 LEU 28 4.648 9.463 3.389 201 HD12 LEU 28 HD12 LEU 28 4.178 7.772 3.205 202 HD13 LEU 28 HD13 LEU 28 4.282 8.819 1.788 203 HD21 LEU 28 HD21 LEU 28 6.712 8.864 4.533 204 HD22 LEU 28 HD22 LEU 28 7.886 7.784 3.778 205 HD23 LEU 28 HD23 LEU 28 6.371 7.138 4.411 206 H SER 29 HN SER 29 7.744 9.112 0.349 207 HA SER 29 HA SER 29 6.032 11.311 0.357 208 HB2 SER 29 HB2 SER 29 8.196 12.550 -0.260 209 HB3 SER 29 HB1 SER 29 8.218 11.602 1.229 210 HG SER 29 HG SER 29 10.076 11.183 -0.018 211 H THR 30 HN THR 30 7.549 9.502 -2.195 212 HA THR 30 HA THR 30 6.990 11.408 -4.236 213 HB THR 30 HB THR 30 8.030 8.634 -4.172 214 HG1 THR 30 HG1 THR 30 9.075 11.209 -4.707 215 HG21 THR 30 HG21 THR 30 6.702 8.722 -6.064 216 HG22 THR 30 HG22 THR 30 8.367 8.847 -6.611 217 HG23 THR 30 HG23 THR 30 7.328 10.281 -6.573 218 H VAL 31 HN VAL 31 5.549 8.523 -2.921 219 HA VAL 31 HA VAL 31 3.339 8.360 -4.618 220 HB VAL 31 HB VAL 31 3.824 7.486 -1.793 221 HG11 VAL 31 HG11 VAL 31 1.263 7.098 -3.338 222 HG12 VAL 31 HG12 VAL 31 1.453 8.083 -1.886 223 HG13 VAL 31 HG13 VAL 31 1.667 6.333 -1.803 224 HG21 VAL 31 HG21 VAL 31 4.066 5.389 -2.707 225 HG22 VAL 31 HG22 VAL 31 4.682 6.414 -4.010 226 HG23 VAL 31 HG23 VAL 31 3.046 5.764 -4.093 227 H THR 32 HN THR 32 3.797 10.195 -1.575 228 HA THR 32 HA THR 32 1.158 11.178 -1.528 229 HB THR 32 HB THR 32 1.627 11.915 0.490 230 HG1 THR 32 HG1 THR 32 2.260 13.935 -0.568 231 HG21 THR 32 HG21 THR 32 3.489 10.173 0.097 232 HG22 THR 32 HG22 THR 32 3.516 11.190 1.547 233 HG23 THR 32 HG23 THR 32 4.563 11.577 0.177 234 H ALA 33 HN ALA 33 3.840 12.183 -3.394 235 HA ALA 33 HA ALA 33 3.239 14.789 -4.073 236 HB1 ALA 33 HB1 ALA 33 4.047 12.808 -6.121 237 HB2 ALA 33 HB2 ALA 33 5.117 13.312 -4.827 238 HB3 ALA 33 HB3 ALA 33 4.517 14.503 -5.970 239 H GLN 34 HN GLN 34 0.742 13.688 -3.708 240 HA GLN 34 HA GLN 34 -0.900 14.537 -5.736 241 HB2 GLN 34 HB2 GLN 34 -1.603 12.334 -6.675 242 HB3 GLN 34 HB1 GLN 34 0.018 12.852 -7.170 243 HG2 GLN 34 HG2 GLN 34 0.359 11.363 -4.873 244 HG3 GLN 34 HG1 GLN 34 -0.820 10.461 -5.836 245 HE21 GLN 34 HE21 GLN 34 2.454 11.772 -5.743 246 HE22 GLN 34 HE22 GLN 34 3.064 10.813 -7.054 247 H PHE 35 HN PHE 35 -3.023 12.911 -5.614 248 HA PHE 35 HA PHE 35 -3.330 12.186 -2.782 249 HB2 PHE 35 HB2 PHE 35 -5.172 12.973 -5.005 250 HB3 PHE 35 HB1 PHE 35 -5.797 12.104 -3.605 251 HD1 PHE 35 HD1 PHE 35 -3.571 15.026 -4.301 252 HD2 PHE 35 HD2 PHE 35 -6.729 13.404 -1.954 253 HE1 PHE 35 HE1 PHE 35 -3.764 17.158 -3.090 254 HE2 PHE 35 HE2 PHE 35 -6.923 15.530 -0.737 255 HZ PHE 35 HZ PHE 35 -5.439 17.411 -1.303 256 HA PRO 36 HA PRO 36 -3.494 8.022 -4.554 257 HB2 PRO 36 HB2 PRO 36 -1.110 7.180 -4.008 258 HB3 PRO 36 HB1 PRO 36 -1.265 8.538 -5.138 259 HG2 PRO 36 HG2 PRO 36 -0.490 8.570 -2.238 260 HG3 PRO 36 HG1 PRO 36 0.133 9.553 -3.579 261 HD2 PRO 36 HD2 PRO 36 -1.968 10.195 -1.743 262 HD3 PRO 36 HD1 PRO 36 -1.379 11.171 -3.112 263 H GLY 37 HN GLY 37 -3.731 9.115 -1.433 264 HA2 GLY 37 HA2 GLY 37 -4.137 7.736 0.529 265 HA3 GLY 37 HA1 GLY 37 -3.077 6.518 -0.179 266 H ALA 38 HN ALA 38 -1.217 8.624 -1.057 267 HA ALA 38 HA ALA 38 0.438 10.012 -0.494 268 HB1 ALA 38 HB1 ALA 38 0.018 11.592 1.337 269 HB2 ALA 38 HB2 ALA 38 -1.417 10.655 1.760 270 HB3 ALA 38 HB3 ALA 38 -1.318 11.456 0.192 271 H SER 39 HN SER 39 -0.446 9.299 2.892 272 HA SER 39 HA SER 39 2.376 8.565 3.277 273 HB2 SER 39 HB2 SER 39 0.880 10.566 4.951 274 HB3 SER 39 HB1 SER 39 2.576 10.124 5.110 275 HG SER 39 HG SER 39 2.806 10.936 2.903 276 H GLY 40 HN GLY 40 -0.725 7.724 3.668 277 HA2 GLY 40 HA2 GLY 40 -0.155 6.228 6.139 278 HA3 GLY 40 HA1 GLY 40 -1.693 7.040 5.869 279 H LEU 41 HN LEU 41 -1.777 4.384 6.341 280 HA LEU 41 HA LEU 41 -2.689 3.502 3.761 281 HB2 LEU 41 HB2 LEU 41 -0.198 2.762 4.609 282 HB3 LEU 41 HB1 LEU 41 -1.166 1.419 5.165 283 HG LEU 41 HG LEU 41 -0.187 1.002 2.943 284 HD11 LEU 41 HD11 LEU 41 -2.226 0.319 1.812 285 HD12 LEU 41 HD12 LEU 41 -3.170 1.293 2.939 286 HD13 LEU 41 HD13 LEU 41 -2.250 -0.092 3.526 287 HD21 LEU 41 HD21 LEU 41 0.019 2.912 1.748 288 HD22 LEU 41 HD22 LEU 41 -1.439 3.622 2.448 289 HD23 LEU 41 HD23 LEU 41 -1.571 2.437 1.136 290 H ARG 42 HN ARG 42 -4.524 2.374 3.880 291 HA ARG 42 HA ARG 42 -4.802 0.488 6.125 292 HB2 ARG 42 HB2 ARG 42 -7.094 1.785 4.698 293 HB3 ARG 42 HB1 ARG 42 -7.169 0.699 6.084 294 HG2 ARG 42 HG2 ARG 42 -6.123 2.336 7.501 295 HG3 ARG 42 HG1 ARG 42 -5.897 3.404 6.092 296 HD2 ARG 42 HD2 ARG 42 -8.216 3.570 5.718 297 HD3 ARG 42 HD1 ARG 42 -8.577 2.388 6.979 298 HE ARG 42 HE ARG 42 -7.367 4.253 8.426 299 HH11 ARG 42 HH11 ARG 42 -9.716 4.655 5.860 300 HH12 ARG 42 HH12 ARG 42 -10.476 6.035 6.587 301 HH21 ARG 42 HH21 ARG 42 -8.399 6.031 9.419 302 HH22 ARG 42 HH22 ARG 42 -9.739 6.804 8.626 303 H TYR 43 HN TYR 43 -5.525 -1.668 5.287 304 HA TYR 43 HA TYR 43 -6.530 -1.540 2.560 305 HB2 TYR 43 HB2 TYR 43 -5.001 -3.139 1.640 306 HB3 TYR 43 HB1 TYR 43 -4.124 -1.757 2.306 307 HD1 TYR 43 HD1 TYR 43 -2.725 -2.025 4.261 308 HD2 TYR 43 HD2 TYR 43 -4.830 -5.344 2.655 309 HE1 TYR 43 HE1 TYR 43 -1.334 -3.559 5.603 310 HE2 TYR 43 HE2 TYR 43 -3.444 -6.883 3.974 311 HH TYR 43 HH TYR 43 -1.251 -6.912 5.041 312 H ARG 44 HN ARG 44 -7.247 -3.557 1.685 313 HA ARG 44 HA ARG 44 -8.378 -5.281 3.772 314 HB2 ARG 44 HB2 ARG 44 -9.508 -4.219 1.236 315 HB3 ARG 44 HB1 ARG 44 -9.943 -5.867 1.673 316 HG2 ARG 44 HG2 ARG 44 -10.476 -4.777 4.002 317 HG3 ARG 44 HG1 ARG 44 -10.603 -3.304 3.039 318 HD2 ARG 44 HD2 ARG 44 -12.008 -5.693 2.004 319 HD3 ARG 44 HD1 ARG 44 -12.662 -4.971 3.472 320 HE ARG 44 HE ARG 44 -12.397 -2.829 1.873 321 HH11 ARG 44 HH11 ARG 44 -13.803 -6.000 1.291 322 HH12 ARG 44 HH12 ARG 44 -15.029 -5.393 0.222 323 HH21 ARG 44 HH21 ARG 44 -14.037 -2.041 0.487 324 HH22 ARG 44 HH22 ARG 44 -15.152 -3.155 -0.253 325 H ASN 45 HN ASN 45 -8.615 -7.491 3.290 326 HA ASN 45 HA ASN 45 -6.598 -8.654 1.554 327 HB2 ASN 45 HB2 ASN 45 -5.509 -7.844 3.671 328 HB3 ASN 45 HB1 ASN 45 -6.593 -8.915 4.572 329 HD21 ASN 45 HD21 ASN 45 -4.684 -9.914 5.419 330 HD22 ASN 45 HD22 ASN 45 -3.802 -11.062 4.468 331 HA PRO 46 HA PRO 46 -9.946 -11.533 1.255 332 HB2 PRO 46 HB2 PRO 46 -7.833 -13.426 0.386 333 HB3 PRO 46 HB1 PRO 46 -9.343 -12.975 -0.410 334 HG2 PRO 46 HG2 PRO 46 -7.044 -12.010 -1.292 335 HG3 PRO 46 HG1 PRO 46 -8.474 -10.962 -1.198 336 HD2 PRO 46 HD2 PRO 46 -6.127 -11.131 0.652 337 HD3 PRO 46 HD1 PRO 46 -6.977 -9.697 0.049 338 H VAL 47 HN VAL 47 -7.785 -11.825 3.743 339 HA VAL 47 HA VAL 47 -8.959 -14.382 4.576 340 HB VAL 47 HB VAL 47 -6.639 -14.596 4.559 341 HG11 VAL 47 HG11 VAL 47 -6.273 -12.265 6.377 342 HG12 VAL 47 HG12 VAL 47 -6.119 -12.158 4.624 343 HG13 VAL 47 HG13 VAL 47 -5.031 -13.202 5.542 344 HG21 VAL 47 HG21 VAL 47 -7.589 -15.741 6.379 345 HG22 VAL 47 HG22 VAL 47 -7.714 -14.253 7.322 346 HG23 VAL 47 HG23 VAL 47 -6.128 -14.967 6.998 347 H SER 48 HN SER 48 -7.458 -12.173 6.800 348 HA SER 48 HA SER 48 -9.966 -12.118 8.217 349 HB2 SER 48 HB2 SER 48 -8.589 -11.313 10.114 350 HB3 SER 48 HB1 SER 48 -7.949 -12.805 9.405 351 HG SER 48 HG SER 48 -6.312 -11.229 9.791 352 H GLN 49 HN GLN 49 -8.089 -10.246 6.180 353 HA GLN 49 HA GLN 49 -8.384 -8.277 5.167 354 HB2 GLN 49 HB2 GLN 49 -10.660 -9.565 5.139 355 HB3 GLN 49 HB1 GLN 49 -11.136 -8.141 6.053 356 HG2 GLN 49 HG2 GLN 49 -10.835 -6.751 4.359 357 HG3 GLN 49 HG1 GLN 49 -9.461 -7.656 3.754 358 HE21 GLN 49 HE21 GLN 49 -10.034 -7.696 1.689 359 HE22 GLN 49 HE22 GLN 49 -11.365 -8.599 1.102 360 H SER 50 HN SER 50 -7.796 -8.083 8.064 361 HA SER 50 HA SER 50 -9.022 -5.867 9.217 362 HB2 SER 50 HB2 SER 50 -6.149 -6.578 9.531 363 HB3 SER 50 HB1 SER 50 -7.168 -5.756 10.696 364 HG SER 50 HG SER 50 -8.466 -7.779 10.612 365 H MET 51 HN MET 51 -9.009 -3.751 8.685 366 HA MET 51 HA MET 51 -7.548 -2.858 6.424 367 HB2 MET 51 HB2 MET 51 -8.335 -0.514 7.460 368 HB3 MET 51 HB1 MET 51 -9.389 -1.547 6.516 369 HG2 MET 51 HG2 MET 51 -10.665 -0.892 8.343 370 HG3 MET 51 HG1 MET 51 -10.153 -2.532 8.723 371 HE1 MET 51 HE1 MET 51 -11.299 -0.117 10.689 372 HE2 MET 51 HE2 MET 51 -10.369 -0.501 12.139 373 HE3 MET 51 HE3 MET 51 -11.091 -1.796 11.183 374 H ARG 52 HN ARG 52 -5.442 -3.031 6.636 375 HA ARG 52 HA ARG 52 -4.175 -2.019 9.078 376 HB2 ARG 52 HB2 ARG 52 -3.769 -4.343 8.644 377 HB3 ARG 52 HB1 ARG 52 -3.254 -4.002 7.013 378 HG2 ARG 52 HG2 ARG 52 -1.289 -2.873 7.881 379 HG3 ARG 52 HG1 ARG 52 -1.843 -3.199 9.540 380 HD2 ARG 52 HD2 ARG 52 -1.953 -5.593 8.982 381 HD3 ARG 52 HD1 ARG 52 -1.246 -5.234 7.427 382 HE ARG 52 HE ARG 52 0.369 -4.303 9.601 383 HH11 ARG 52 HH11 ARG 52 -0.436 -7.063 7.614 384 HH12 ARG 52 HH12 ARG 52 0.994 -7.966 8.028 385 HH21 ARG 52 HH21 ARG 52 2.265 -5.493 10.163 386 HH22 ARG 52 HH22 ARG 52 2.521 -7.074 9.498 387 H GLY 53 HN GLY 53 -2.451 -0.785 9.016 388 HA2 GLY 53 HA2 GLY 53 -1.907 0.709 6.595 389 HA3 GLY 53 HA1 GLY 53 -1.431 1.180 8.215 390 H VAL 54 HN VAL 54 -0.002 1.131 5.793 391 HA VAL 54 HA VAL 54 2.064 -0.896 6.107 392 HB VAL 54 HB VAL 54 1.458 1.027 3.849 393 HG11 VAL 54 HG11 VAL 54 3.671 -1.028 3.999 394 HG12 VAL 54 HG12 VAL 54 3.893 0.719 4.076 395 HG13 VAL 54 HG13 VAL 54 3.268 -0.026 2.605 396 HG21 VAL 54 HG21 VAL 54 0.964 -1.005 2.602 397 HG22 VAL 54 HG22 VAL 54 -0.026 -0.918 4.058 398 HG23 VAL 54 HG23 VAL 54 1.374 -1.989 4.005 399 H ARG 55 HN ARG 55 4.304 -0.299 6.320 400 HA ARG 55 HA ARG 55 4.588 1.726 8.283 401 HB2 ARG 55 HB2 ARG 55 6.640 0.100 6.874 402 HB3 ARG 55 HB1 ARG 55 6.987 1.189 8.209 403 HG2 ARG 55 HG2 ARG 55 6.737 -0.725 9.344 404 HG3 ARG 55 HG1 ARG 55 5.062 -0.196 9.340 405 HD2 ARG 55 HD2 ARG 55 4.763 -1.507 7.225 406 HD3 ARG 55 HD1 ARG 55 6.356 -2.195 7.520 407 HE ARG 55 HE ARG 55 5.479 -3.539 9.122 408 HH11 ARG 55 HH11 ARG 55 3.185 -0.968 8.457 409 HH12 ARG 55 HH12 ARG 55 1.970 -1.596 9.520 410 HH21 ARG 55 HH21 ARG 55 3.882 -4.345 10.555 411 HH22 ARG 55 HH22 ARG 55 2.366 -3.493 10.721 412 H LEU 56 HN LEU 56 5.246 3.802 8.123 413 HA LEU 56 HA LEU 56 6.581 4.552 5.628 414 HB2 LEU 56 HB2 LEU 56 5.899 6.845 5.943 415 HB3 LEU 56 HB1 LEU 56 4.510 5.795 5.928 416 HG LEU 56 HG LEU 56 3.948 7.348 7.518 417 HD11 LEU 56 HD11 LEU 56 5.271 5.212 9.165 418 HD12 LEU 56 HD12 LEU 56 3.636 5.171 8.502 419 HD13 LEU 56 HD13 LEU 56 4.058 6.357 9.737 420 HD21 LEU 56 HD21 LEU 56 6.045 8.547 7.560 421 HD22 LEU 56 HD22 LEU 56 6.758 7.304 8.588 422 HD23 LEU 56 HD23 LEU 56 5.434 8.299 9.195 423 H VAL 57 HN VAL 57 8.701 4.627 5.792 424 HA VAL 57 HA VAL 57 9.887 5.443 8.370 425 HB VAL 57 HB VAL 57 11.006 3.273 6.597 426 HG11 VAL 57 HG11 VAL 57 12.189 2.763 8.845 427 HG12 VAL 57 HG12 VAL 57 11.725 4.417 9.267 428 HG13 VAL 57 HG13 VAL 57 12.747 4.119 7.862 429 HG21 VAL 57 HG21 VAL 57 10.218 1.655 8.293 430 HG22 VAL 57 HG22 VAL 57 8.887 2.468 7.469 431 HG23 VAL 57 HG23 VAL 57 9.340 2.954 9.102 432 H GLU 58 HN GLU 58 11.061 7.204 8.027 433 HA GLU 58 HA GLU 58 12.505 8.713 7.118 434 HB2 GLU 58 HB2 GLU 58 13.796 6.400 5.703 435 HB3 GLU 58 HB1 GLU 58 14.549 7.845 6.360 436 HG2 GLU 58 HG2 GLU 58 13.433 5.509 7.879 437 HG3 GLU 58 HG1 GLU 58 15.109 6.028 7.761 438 H GLY 59 HN GLY 59 10.106 8.351 5.552 439 HA2 GLY 59 HA2 GLY 59 9.468 9.417 3.545 440 HA3 GLY 59 HA1 GLY 59 11.121 9.270 2.969 441 H ILE 60 HN ILE 60 10.389 6.317 4.168 442 HA ILE 60 HA ILE 60 9.658 5.318 1.511 443 HB ILE 60 HB ILE 60 10.436 3.526 3.727 444 HG12 ILE 60 HG12 ILE 60 12.363 4.937 1.957 445 HG13 ILE 60 HG11 ILE 60 12.108 5.362 3.641 446 HG21 ILE 60 HG21 ILE 60 9.552 2.939 1.372 447 HG22 ILE 60 HG22 ILE 60 10.935 2.070 2.009 448 HG23 ILE 60 HG23 ILE 60 11.179 3.364 0.843 449 HD11 ILE 60 HD11 ILE 60 13.349 2.931 2.469 450 HD12 ILE 60 HD12 ILE 60 12.570 2.915 4.044 451 HD13 ILE 60 HD13 ILE 60 13.934 3.994 3.759 452 H LEU 61 HN LEU 61 7.941 3.918 1.226 453 HA LEU 61 HA LEU 61 6.248 3.359 3.571 454 HB2 LEU 61 HB2 LEU 61 5.316 4.346 1.350 455 HB3 LEU 61 HB1 LEU 61 5.539 2.728 0.714 456 HG LEU 61 HG LEU 61 4.053 1.894 2.563 457 HD11 LEU 61 HD11 LEU 61 3.521 4.838 2.916 458 HD12 LEU 61 HD12 LEU 61 4.294 3.769 4.086 459 HD13 LEU 61 HD13 LEU 61 2.601 3.528 3.656 460 HD21 LEU 61 HD21 LEU 61 1.990 2.603 1.458 461 HD22 LEU 61 HD22 LEU 61 3.240 2.192 0.284 462 HD23 LEU 61 HD23 LEU 61 2.873 3.883 0.626 463 H HIS 62 HN HIS 62 6.530 1.313 4.484 464 HA HIS 62 HA HIS 62 8.192 -0.476 2.840 465 HB2 HIS 62 HB2 HIS 62 9.342 0.702 4.772 466 HB3 HIS 62 HB1 HIS 62 8.354 -0.290 5.841 467 HD1 HIS 62 HD1 HIS 62 10.745 -0.873 2.923 468 HD2 HIS 62 HD2 HIS 62 9.577 -2.597 6.525 469 HE1 HIS 62 HE1 HIS 62 12.183 -2.918 3.195 470 HE2 HIS 62 HE2 HIS 62 11.318 -4.049 5.277 471 H ALA 63 HN ALA 63 7.674 -2.459 2.600 472 HA ALA 63 HA ALA 63 5.245 -3.533 3.764 473 HB1 ALA 63 HB1 ALA 63 5.546 -5.325 2.121 474 HB2 ALA 63 HB2 ALA 63 7.109 -4.647 1.664 475 HB3 ALA 63 HB3 ALA 63 5.629 -3.737 1.358 476 HA PRO 64 HA PRO 64 7.098 -6.293 6.717 477 HB2 PRO 64 HB2 PRO 64 5.707 -8.595 5.491 478 HB3 PRO 64 HB1 PRO 64 5.564 -7.935 7.125 479 HG2 PRO 64 HG2 PRO 64 3.600 -7.595 5.368 480 HG3 PRO 64 HG1 PRO 64 4.069 -6.272 6.459 481 HD2 PRO 64 HD2 PRO 64 4.864 -6.735 3.594 482 HD3 PRO 64 HD1 PRO 64 4.234 -5.244 4.350 483 H ASP 65 HN ASP 65 8.322 -8.406 6.874 484 HA ASP 65 HA ASP 65 10.718 -8.073 5.672 485 HB2 ASP 65 HB2 ASP 65 9.336 -10.430 6.836 486 HB3 ASP 65 HB1 ASP 65 10.853 -10.716 5.997 487 H ALA 66 HN ALA 66 8.118 -10.122 4.436 488 HA ALA 66 HA ALA 66 9.785 -10.634 2.062 489 HB1 ALA 66 HB1 ALA 66 8.459 -12.838 2.045 490 HB2 ALA 66 HB2 ALA 66 8.121 -12.424 3.728 491 HB3 ALA 66 HB3 ALA 66 9.785 -12.643 3.196 492 H GLY 67 HN GLY 67 6.645 -9.735 3.306 493 HA2 GLY 67 HA2 GLY 67 5.199 -8.520 1.811 494 HA3 GLY 67 HA1 GLY 67 5.802 -9.542 0.522 495 H TRP 68 HN TRP 68 3.096 -8.885 1.973 496 HA TRP 68 HA TRP 68 1.994 -11.502 2.307 497 HB2 TRP 68 HB2 TRP 68 -0.088 -9.701 1.866 498 HB3 TRP 68 HB1 TRP 68 0.557 -10.216 3.416 499 HD1 TRP 68 HD1 TRP 68 0.690 -8.171 4.880 500 HE1 TRP 68 HE1 TRP 68 1.628 -5.802 4.657 501 HE3 TRP 68 HE3 TRP 68 2.060 -8.231 -0.064 502 HZ2 TRP 68 HZ2 TRP 68 2.774 -4.154 2.698 503 HZ3 TRP 68 HZ3 TRP 68 3.073 -6.209 -1.021 504 HH2 TRP 68 HH2 TRP 68 3.424 -4.213 0.334 505 H GLY 69 HN GLY 69 0.383 -9.161 0.253 506 HA2 GLY 69 HA2 GLY 69 1.230 -10.115 -2.229 507 HA3 GLY 69 HA1 GLY 69 -0.250 -10.958 -1.797 508 H ASN 70 HN ASN 70 0.635 -7.636 -1.101 509 HA ASN 70 HA ASN 70 0.688 -5.845 -2.496 510 HB2 ASN 70 HB2 ASN 70 0.424 -6.067 -4.698 511 HB3 ASN 70 HB1 ASN 70 0.471 -7.750 -4.315 512 HD21 ASN 70 HD21 ASN 70 -0.582 -8.347 -6.141 513 HD22 ASN 70 HD22 ASN 70 -2.266 -8.095 -6.356 514 H LEU 71 HN LEU 71 -2.328 -7.539 -2.174 515 HA LEU 71 HA LEU 71 -4.392 -6.889 -1.535 516 HB2 LEU 71 HB2 LEU 71 -2.972 -4.962 0.219 517 HB3 LEU 71 HB1 LEU 71 -4.459 -5.826 0.551 518 HG LEU 71 HG LEU 71 -2.971 -6.930 1.916 519 HD11 LEU 71 HD11 LEU 71 -2.309 -9.079 0.855 520 HD12 LEU 71 HD12 LEU 71 -2.893 -8.416 -0.675 521 HD13 LEU 71 HD13 LEU 71 -4.007 -8.642 0.674 522 HD21 LEU 71 HD21 LEU 71 -0.939 -6.024 1.657 523 HD22 LEU 71 HD22 LEU 71 -0.982 -6.174 -0.096 524 HD23 LEU 71 HD23 LEU 71 -0.643 -7.592 0.902 525 H VAL 72 HN VAL 72 -5.807 -5.130 -0.883 526 HA VAL 72 HA VAL 72 -5.504 -3.008 -2.899 527 HB VAL 72 HB VAL 72 -7.464 -4.256 -3.239 528 HG11 VAL 72 HG11 VAL 72 -8.493 -3.810 -0.483 529 HG12 VAL 72 HG12 VAL 72 -7.258 -5.053 -0.750 530 HG13 VAL 72 HG13 VAL 72 -8.814 -5.136 -1.612 531 HG21 VAL 72 HG21 VAL 72 -9.157 -2.600 -3.082 532 HG22 VAL 72 HG22 VAL 72 -7.614 -1.754 -3.262 533 HG23 VAL 72 HG23 VAL 72 -8.385 -1.853 -1.678 534 H TYR 73 HN TYR 73 -4.428 -1.362 -1.917 535 HA TYR 73 HA TYR 73 -4.866 -0.757 0.830 536 HB2 TYR 73 HB2 TYR 73 -3.347 0.814 -1.247 537 HB3 TYR 73 HB1 TYR 73 -3.273 1.043 0.501 538 HD1 TYR 73 HD1 TYR 73 -1.030 0.319 -1.515 539 HD2 TYR 73 HD2 TYR 73 -3.393 -1.965 1.148 540 HE1 TYR 73 HE1 TYR 73 0.755 -1.343 -1.372 541 HE2 TYR 73 HE2 TYR 73 -1.613 -3.641 1.312 542 HH TYR 73 HH TYR 73 0.294 -4.386 -0.165 543 H VAL 74 HN VAL 74 -5.645 0.958 1.766 544 HA VAL 74 HA VAL 74 -7.768 2.429 0.390 545 HB VAL 74 HB VAL 74 -7.421 1.132 3.049 546 HG11 VAL 74 HG11 VAL 74 -9.225 3.526 2.608 547 HG12 VAL 74 HG12 VAL 74 -7.904 3.393 3.774 548 HG13 VAL 74 HG13 VAL 74 -9.356 2.410 3.969 549 HG21 VAL 74 HG21 VAL 74 -9.604 0.320 2.636 550 HG22 VAL 74 HG22 VAL 74 -8.659 0.167 1.154 551 HG23 VAL 74 HG23 VAL 74 -9.839 1.463 1.314 552 H VAL 75 HN VAL 75 -8.218 4.593 1.439 553 HA VAL 75 HA VAL 75 -5.705 6.009 1.107 554 HB VAL 75 HB VAL 75 -7.527 6.610 -0.385 555 HG11 VAL 75 HG11 VAL 75 -9.054 7.314 2.115 556 HG12 VAL 75 HG12 VAL 75 -9.466 6.097 0.907 557 HG13 VAL 75 HG13 VAL 75 -9.526 7.809 0.489 558 HG21 VAL 75 HG21 VAL 75 -7.578 9.028 -0.017 559 HG22 VAL 75 HG22 VAL 75 -5.963 8.348 0.176 560 HG23 VAL 75 HG23 VAL 75 -6.912 8.785 1.597 561 H ASN 76 HN ASN 76 -4.654 6.214 3.041 562 HA ASN 76 HA ASN 76 -6.099 7.923 4.959 563 HB2 ASN 76 HB2 ASN 76 -5.572 5.467 5.657 564 HB3 ASN 76 HB1 ASN 76 -3.917 6.042 5.798 565 HD21 ASN 76 HD21 ASN 76 -4.118 5.415 7.998 566 HD22 ASN 76 HD22 ASN 76 -4.895 6.456 9.139 567 H TYR 77 HN TYR 77 -5.119 9.913 5.002 568 HA TYR 77 HA TYR 77 -2.252 9.910 5.413 569 HB2 TYR 77 HB2 TYR 77 -2.291 12.131 4.053 570 HB3 TYR 77 HB1 TYR 77 -1.909 10.599 3.307 571 HD1 TYR 77 HD1 TYR 77 -3.372 9.598 1.734 572 HD2 TYR 77 HD2 TYR 77 -4.427 13.274 3.582 573 HE1 TYR 77 HE1 TYR 77 -5.109 9.923 0.037 574 HE2 TYR 77 HE2 TYR 77 -6.173 13.633 1.886 575 HH TYR 77 HH TYR 77 -7.214 11.196 -0.234 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 8.031 -9.469 -13.343 2 H2 MET 1 HT2 MET 1 6.877 -10.486 -12.641 3 H3 MET 1 HT3 MET 1 7.846 -11.057 -13.907 4 HA MET 1 HA MET 1 8.651 -11.960 -11.884 5 HB2 MET 1 HB2 MET 1 10.943 -11.245 -11.958 6 HB3 MET 1 HB1 MET 1 10.311 -11.200 -13.595 7 HG2 MET 1 HG2 MET 1 10.639 -8.816 -11.789 8 HG3 MET 1 HG1 MET 1 11.746 -9.286 -13.076 9 HE1 MET 1 HE1 MET 1 10.131 -6.095 -14.596 10 HE2 MET 1 HE2 MET 1 11.632 -6.933 -14.201 11 HE3 MET 1 HE3 MET 1 10.568 -6.367 -12.911 12 H SER 2 HN SER 2 9.581 -11.620 -9.771 13 HA SER 2 HA SER 2 9.625 -10.780 -7.670 14 HB2 SER 2 HB2 SER 2 9.323 -8.139 -9.113 15 HB3 SER 2 HB1 SER 2 9.679 -8.301 -7.392 16 HG SER 2 HG SER 2 11.651 -9.010 -7.835 17 H GLU 3 HN GLU 3 8.257 -9.139 -6.172 18 HA GLU 3 HA GLU 3 5.466 -9.752 -6.723 19 HB2 GLU 3 HB2 GLU 3 6.902 -9.321 -4.125 20 HB3 GLU 3 HB1 GLU 3 5.175 -9.627 -4.262 21 HG2 GLU 3 HG2 GLU 3 5.726 -11.794 -5.340 22 HG3 GLU 3 HG1 GLU 3 7.425 -11.450 -5.032 23 H TYR 4 HN TYR 4 3.868 -8.140 -6.059 24 HA TYR 4 HA TYR 4 4.920 -5.406 -6.111 25 HB2 TYR 4 HB2 TYR 4 3.415 -4.818 -7.928 26 HB3 TYR 4 HB1 TYR 4 4.390 -6.194 -8.442 27 HD1 TYR 4 HD1 TYR 4 1.094 -5.151 -7.260 28 HD2 TYR 4 HD2 TYR 4 3.357 -8.314 -8.960 29 HE1 TYR 4 HE1 TYR 4 -0.968 -6.354 -7.704 30 HE2 TYR 4 HE2 TYR 4 1.279 -9.557 -9.417 31 HH TYR 4 HH TYR 4 -1.074 -9.614 -8.436 32 H ILE 5 HN ILE 5 2.869 -3.872 -5.832 33 HA ILE 5 HA ILE 5 1.100 -5.136 -3.870 34 HB ILE 5 HB ILE 5 1.230 -3.436 -2.359 35 HG12 ILE 5 HG12 ILE 5 1.073 -1.521 -3.922 36 HG13 ILE 5 HG11 ILE 5 2.241 -1.253 -2.636 37 HG21 ILE 5 HG21 ILE 5 3.592 -3.180 -1.780 38 HG22 ILE 5 HG22 ILE 5 4.027 -3.732 -3.398 39 HG23 ILE 5 HG23 ILE 5 3.201 -4.824 -2.286 40 HD11 ILE 5 HD11 ILE 5 3.085 -0.446 -4.745 41 HD12 ILE 5 HD12 ILE 5 2.852 -2.039 -5.457 42 HD13 ILE 5 HD13 ILE 5 4.050 -1.814 -4.185 43 H ARG 6 HN ARG 6 -0.997 -3.933 -3.488 44 HA ARG 6 HA ARG 6 -1.756 -2.591 -5.994 45 HB2 ARG 6 HB2 ARG 6 -2.749 -4.764 -5.983 46 HB3 ARG 6 HB1 ARG 6 -3.198 -4.631 -4.275 47 HG2 ARG 6 HG2 ARG 6 -5.016 -3.307 -4.821 48 HG3 ARG 6 HG1 ARG 6 -4.314 -2.789 -6.368 49 HD2 ARG 6 HD2 ARG 6 -4.321 -5.444 -6.673 50 HD3 ARG 6 HD1 ARG 6 -5.733 -5.243 -5.680 51 HE ARG 6 HE ARG 6 -5.389 -3.690 -8.121 52 HH11 ARG 6 HH11 ARG 6 -7.266 -5.964 -6.217 53 HH12 ARG 6 HH12 ARG 6 -8.544 -6.067 -7.398 54 HH21 ARG 6 HH21 ARG 6 -7.063 -3.842 -9.661 55 HH22 ARG 6 HH22 ARG 6 -8.444 -4.848 -9.331 56 H VAL 7 HN VAL 7 -2.860 -0.624 -5.746 57 HA VAL 7 HA VAL 7 -3.743 0.064 -3.029 58 HB VAL 7 HB VAL 7 -1.579 0.996 -3.055 59 HG11 VAL 7 HG11 VAL 7 -2.224 2.024 -5.793 60 HG12 VAL 7 HG12 VAL 7 -0.952 0.891 -5.317 61 HG13 VAL 7 HG13 VAL 7 -0.844 2.589 -4.848 62 HG21 VAL 7 HG21 VAL 7 -1.949 3.404 -2.913 63 HG22 VAL 7 HG22 VAL 7 -3.252 2.497 -2.144 64 HG23 VAL 7 HG23 VAL 7 -3.494 3.208 -3.740 65 H THR 8 HN THR 8 -5.449 1.489 -2.904 66 HA THR 8 HA THR 8 -6.037 3.162 -5.169 67 HB THR 8 HB THR 8 -7.351 1.419 -5.913 68 HG1 THR 8 HG1 THR 8 -9.565 2.330 -4.741 69 HG21 THR 8 HG21 THR 8 -8.463 -0.102 -4.699 70 HG22 THR 8 HG22 THR 8 -8.853 1.013 -3.387 71 HG23 THR 8 HG23 THR 8 -7.228 0.330 -3.513 72 H GLU 9 HN GLU 9 -7.963 4.676 -4.586 73 HA GLU 9 HA GLU 9 -7.397 5.766 -1.965 74 HB2 GLU 9 HB2 GLU 9 -7.560 7.169 -3.917 75 HB3 GLU 9 HB1 GLU 9 -9.229 6.722 -4.171 76 HG2 GLU 9 HG2 GLU 9 -8.368 7.996 -1.623 77 HG3 GLU 9 HG1 GLU 9 -8.559 8.986 -3.057 78 H ASP 10 HN ASP 10 -9.924 4.113 -3.620 79 HA ASP 10 HA ASP 10 -11.325 3.702 -1.093 80 HB2 ASP 10 HB2 ASP 10 -12.630 5.326 -2.484 81 HB3 ASP 10 HB1 ASP 10 -12.658 4.130 -3.773 82 H GLU 11 HN GLU 11 -12.366 1.701 -1.044 83 HA GLU 11 HA GLU 11 -10.758 -0.420 -1.905 84 HB2 GLU 11 HB2 GLU 11 -13.661 -0.501 -1.043 85 HB3 GLU 11 HB1 GLU 11 -12.561 -1.871 -1.074 86 HG2 GLU 11 HG2 GLU 11 -11.635 0.427 0.472 87 HG3 GLU 11 HG1 GLU 11 -13.085 -0.361 1.099 88 H ASN 12 HN ASN 12 -13.470 1.196 -3.277 89 HA ASN 12 HA ASN 12 -13.095 -0.425 -5.690 90 HB2 ASN 12 HB2 ASN 12 -15.230 -0.952 -4.500 91 HB3 ASN 12 HB1 ASN 12 -15.743 0.665 -4.910 92 HD21 ASN 12 HD21 ASN 12 -17.438 -0.212 -6.091 93 HD22 ASN 12 HD22 ASN 12 -17.175 -0.919 -7.635 94 H ASP 13 HN ASP 13 -11.863 2.179 -5.007 95 HA ASP 13 HA ASP 13 -13.018 3.960 -6.976 96 HB2 ASP 13 HB2 ASP 13 -11.235 4.640 -5.125 97 HB3 ASP 13 HB1 ASP 13 -10.084 4.003 -6.271 98 H GLU 14 HN GLU 14 -9.809 3.714 -7.611 99 HA GLU 14 HA GLU 14 -10.098 1.417 -9.429 100 HB2 GLU 14 HB2 GLU 14 -8.838 4.039 -9.881 101 HB3 GLU 14 HB1 GLU 14 -8.042 2.643 -10.577 102 HG2 GLU 14 HG2 GLU 14 -10.894 3.483 -11.059 103 HG3 GLU 14 HG1 GLU 14 -9.542 3.721 -12.167 104 HA PRO 15 HA PRO 15 -6.791 0.272 -6.465 105 HB2 PRO 15 HB2 PRO 15 -7.318 -2.379 -6.531 106 HB3 PRO 15 HB1 PRO 15 -8.128 -1.266 -5.423 107 HG2 PRO 15 HG2 PRO 15 -8.990 -2.326 -8.039 108 HG3 PRO 15 HG1 PRO 15 -9.911 -2.204 -6.527 109 HD2 PRO 15 HD2 PRO 15 -10.230 -0.435 -8.541 110 HD3 PRO 15 HD1 PRO 15 -10.318 0.067 -6.837 111 H ILE 16 HN ILE 16 -4.820 -0.268 -7.175 112 HA ILE 16 HA ILE 16 -4.607 -1.203 -9.939 113 HB ILE 16 HB ILE 16 -2.711 0.457 -10.160 114 HG12 ILE 16 HG12 ILE 16 -3.247 0.853 -7.446 115 HG13 ILE 16 HG11 ILE 16 -2.167 1.800 -8.446 116 HG21 ILE 16 HG21 ILE 16 -4.199 2.280 -10.759 117 HG22 ILE 16 HG22 ILE 16 -5.480 1.526 -9.814 118 HG23 ILE 16 HG23 ILE 16 -4.864 0.720 -11.256 119 HD11 ILE 16 HD11 ILE 16 -3.601 3.317 -7.338 120 HD12 ILE 16 HD12 ILE 16 -5.036 2.379 -7.771 121 HD13 ILE 16 HD13 ILE 16 -4.137 3.260 -9.020 122 H GLU 17 HN GLU 17 -3.298 -2.848 -10.150 123 HA GLU 17 HA GLU 17 -1.422 -3.543 -8.091 124 HB2 GLU 17 HB2 GLU 17 -1.625 -4.773 -10.825 125 HB3 GLU 17 HB1 GLU 17 -0.957 -5.475 -9.359 126 HG2 GLU 17 HG2 GLU 17 -2.982 -6.555 -9.523 127 HG3 GLU 17 HG1 GLU 17 -3.377 -5.217 -8.446 128 H ILE 18 HN ILE 18 0.600 -2.928 -7.988 129 HA ILE 18 HA ILE 18 1.936 -1.867 -10.366 130 HB ILE 18 HB ILE 18 2.688 0.163 -9.120 131 HG12 ILE 18 HG12 ILE 18 0.427 -0.526 -7.234 132 HG13 ILE 18 HG11 ILE 18 2.134 -0.703 -6.846 133 HG21 ILE 18 HG21 ILE 18 -0.278 -0.083 -9.611 134 HG22 ILE 18 HG22 ILE 18 0.952 0.302 -10.814 135 HG23 ILE 18 HG23 ILE 18 0.621 1.431 -9.500 136 HD11 ILE 18 HD11 ILE 18 0.713 1.868 -7.488 137 HD12 ILE 18 HD12 ILE 18 2.437 1.709 -7.153 138 HD13 ILE 18 HD13 ILE 18 1.256 1.334 -5.897 139 HA PRO 19 HA PRO 19 5.428 -3.811 -8.487 140 HB2 PRO 19 HB2 PRO 19 7.166 -2.266 -10.227 141 HB3 PRO 19 HB1 PRO 19 6.750 -3.978 -10.316 142 HG2 PRO 19 HG2 PRO 19 5.927 -2.145 -12.152 143 HG3 PRO 19 HG1 PRO 19 5.011 -3.613 -11.764 144 HD2 PRO 19 HD2 PRO 19 4.585 -0.804 -10.811 145 HD3 PRO 19 HD1 PRO 19 3.387 -2.013 -11.324 146 H SER 20 HN SER 20 6.518 -3.365 -6.705 147 HA SER 20 HA SER 20 7.228 -0.590 -6.081 148 HB2 SER 20 HB2 SER 20 7.558 -1.620 -3.742 149 HB3 SER 20 HB1 SER 20 5.903 -1.497 -4.341 150 HG SER 20 HG SER 20 6.007 -3.552 -3.690 151 H GLU 21 HN GLU 21 9.365 -0.442 -4.731 152 HA GLU 21 HA GLU 21 11.492 -1.560 -6.232 153 HB2 GLU 21 HB2 GLU 21 11.692 -0.403 -3.487 154 HB3 GLU 21 HB1 GLU 21 12.988 -0.582 -4.656 155 HG2 GLU 21 HG2 GLU 21 11.440 0.920 -6.142 156 HG3 GLU 21 HG1 GLU 21 10.760 1.392 -4.588 157 H ASP 22 HN ASP 22 12.927 -3.083 -5.770 158 HA ASP 22 HA ASP 22 11.793 -5.536 -5.213 159 HB2 ASP 22 HB2 ASP 22 13.830 -5.192 -6.529 160 HB3 ASP 22 HB1 ASP 22 14.659 -4.682 -5.058 161 H ASP 23 HN ASP 23 13.264 -3.282 -3.029 162 HA ASP 23 HA ASP 23 13.796 -5.380 -1.049 163 HB2 ASP 23 HB2 ASP 23 14.891 -3.764 0.281 164 HB3 ASP 23 HB1 ASP 23 15.410 -3.490 -1.372 165 H GLY 24 HN GLY 24 11.278 -3.725 -2.126 166 HA2 GLY 24 HA2 GLY 24 9.092 -4.234 -1.331 167 HA3 GLY 24 HA1 GLY 24 9.748 -4.500 0.283 168 H THR 25 HN THR 25 10.592 -1.827 -1.700 169 HA THR 25 HA THR 25 9.580 -0.061 0.409 170 HB THR 25 HB THR 25 12.239 -0.640 -0.581 171 HG1 THR 25 HG1 THR 25 12.723 -0.196 1.422 172 HG21 THR 25 HG21 THR 25 11.863 1.356 -1.893 173 HG22 THR 25 HG22 THR 25 13.129 1.594 -0.680 174 HG23 THR 25 HG23 THR 25 11.516 2.273 -0.425 175 H VAL 26 HN VAL 26 8.922 2.001 -0.184 176 HA VAL 26 HA VAL 26 9.284 2.892 -2.901 177 HB VAL 26 HB VAL 26 6.858 3.772 -2.743 178 HG11 VAL 26 HG11 VAL 26 6.033 1.672 -3.822 179 HG12 VAL 26 HG12 VAL 26 7.565 0.919 -3.358 180 HG13 VAL 26 HG13 VAL 26 7.553 2.280 -4.484 181 HG21 VAL 26 HG21 VAL 26 6.282 3.126 -0.558 182 HG22 VAL 26 HG22 VAL 26 6.872 1.490 -0.835 183 HG23 VAL 26 HG23 VAL 26 5.395 2.040 -1.632 184 H LEU 27 HN LEU 27 9.317 5.159 -3.086 185 HA LEU 27 HA LEU 27 10.008 6.648 -0.779 186 HB2 LEU 27 HB2 LEU 27 9.447 8.633 -2.470 187 HB3 LEU 27 HB1 LEU 27 10.934 7.709 -2.562 188 HG LEU 27 HG LEU 27 9.776 8.295 -4.710 189 HD11 LEU 27 HD11 LEU 27 11.456 6.470 -4.441 190 HD12 LEU 27 HD12 LEU 27 10.361 6.398 -5.816 191 HD13 LEU 27 HD13 LEU 27 10.088 5.345 -4.429 192 HD21 LEU 27 HD21 LEU 27 7.912 7.004 -5.473 193 HD22 LEU 27 HD22 LEU 27 7.487 7.855 -3.978 194 HD23 LEU 27 HD23 LEU 27 7.852 6.124 -3.943 195 H LEU 28 HN LEU 28 8.590 6.987 0.811 196 HA LEU 28 HA LEU 28 5.809 6.786 0.408 197 HB2 LEU 28 HB2 LEU 28 5.961 6.433 2.607 198 HB3 LEU 28 HB1 LEU 28 7.658 6.851 2.508 199 HG LEU 28 HG LEU 28 6.929 9.255 2.821 200 HD11 LEU 28 HD11 LEU 28 4.423 7.874 3.784 201 HD12 LEU 28 HD12 LEU 28 4.546 8.967 2.404 202 HD13 LEU 28 HD13 LEU 28 4.817 9.575 4.037 203 HD21 LEU 28 HD21 LEU 28 8.100 8.007 4.529 204 HD22 LEU 28 HD22 LEU 28 6.591 7.264 5.057 205 HD23 LEU 28 HD23 LEU 28 6.840 8.996 5.267 206 H SER 29 HN SER 29 7.926 9.512 1.095 207 HA SER 29 HA SER 29 5.934 11.504 1.032 208 HB2 SER 29 HB2 SER 29 7.951 13.046 0.869 209 HB3 SER 29 HB1 SER 29 7.945 11.950 2.251 210 HG SER 29 HG SER 29 9.644 12.054 0.077 211 H THR 30 HN THR 30 8.102 10.098 -1.317 212 HA THR 30 HA THR 30 7.643 12.071 -3.312 213 HB THR 30 HB THR 30 8.996 9.425 -3.289 214 HG1 THR 30 HG1 THR 30 9.765 11.897 -2.775 215 HG21 THR 30 HG21 THR 30 8.072 9.390 -5.318 216 HG22 THR 30 HG22 THR 30 9.675 10.047 -5.646 217 HG23 THR 30 HG23 THR 30 8.255 11.111 -5.626 218 H VAL 31 HN VAL 31 6.327 8.989 -2.426 219 HA VAL 31 HA VAL 31 4.464 8.728 -4.479 220 HB VAL 31 HB VAL 31 4.689 7.680 -1.694 221 HG11 VAL 31 HG11 VAL 31 2.315 8.206 -1.834 222 HG12 VAL 31 HG12 VAL 31 2.573 6.462 -1.910 223 HG13 VAL 31 HG13 VAL 31 2.209 7.366 -3.381 224 HG21 VAL 31 HG21 VAL 31 4.936 5.624 -2.766 225 HG22 VAL 31 HG22 VAL 31 5.722 6.762 -3.869 226 HG23 VAL 31 HG23 VAL 31 4.097 6.178 -4.216 227 H THR 32 HN THR 32 4.279 10.494 -1.368 228 HA THR 32 HA THR 32 1.543 11.119 -1.617 229 HB THR 32 HB THR 32 1.657 12.184 0.359 230 HG1 THR 32 HG1 THR 32 4.104 13.431 -0.471 231 HG21 THR 32 HG21 THR 32 3.618 10.300 0.197 232 HG22 THR 32 HG22 THR 32 3.025 11.056 1.683 233 HG23 THR 32 HG23 THR 32 4.466 11.689 0.882 234 H ALA 33 HN ALA 33 4.270 12.525 -3.148 235 HA ALA 33 HA ALA 33 3.401 15.044 -3.875 236 HB1 ALA 33 HB1 ALA 33 4.788 13.221 -5.763 237 HB2 ALA 33 HB2 ALA 33 5.565 13.925 -4.357 238 HB3 ALA 33 HB3 ALA 33 4.936 14.975 -5.622 239 H GLN 34 HN GLN 34 1.008 13.665 -3.924 240 HA GLN 34 HA GLN 34 -0.332 14.284 -6.237 241 HB2 GLN 34 HB2 GLN 34 -0.522 12.018 -7.263 242 HB3 GLN 34 HB1 GLN 34 1.072 12.765 -7.446 243 HG2 GLN 34 HG2 GLN 34 1.209 11.321 -5.111 244 HG3 GLN 34 HG1 GLN 34 0.315 10.275 -6.220 245 HE21 GLN 34 HE21 GLN 34 3.350 11.989 -5.664 246 HE22 GLN 34 HE22 GLN 34 4.267 11.088 -6.830 247 H PHE 35 HN PHE 35 -2.163 12.317 -6.518 248 HA PHE 35 HA PHE 35 -2.953 11.567 -3.786 249 HB2 PHE 35 HB2 PHE 35 -4.363 12.017 -6.381 250 HB3 PHE 35 HB1 PHE 35 -5.115 11.007 -5.152 251 HD1 PHE 35 HD1 PHE 35 -3.331 14.295 -5.246 252 HD2 PHE 35 HD2 PHE 35 -6.711 12.080 -3.908 253 HE1 PHE 35 HE1 PHE 35 -4.227 16.317 -4.168 254 HE2 PHE 35 HE2 PHE 35 -7.605 14.095 -2.818 255 HZ PHE 35 HZ PHE 35 -6.364 16.217 -2.949 256 HA PRO 36 HA PRO 36 -2.061 7.411 -5.338 257 HB2 PRO 36 HB2 PRO 36 0.262 6.979 -4.281 258 HB3 PRO 36 HB1 PRO 36 0.131 8.262 -5.501 259 HG2 PRO 36 HG2 PRO 36 0.293 8.496 -2.513 260 HG3 PRO 36 HG1 PRO 36 1.013 9.529 -3.766 261 HD2 PRO 36 HD2 PRO 36 -1.481 9.877 -2.409 262 HD3 PRO 36 HD1 PRO 36 -0.788 10.890 -3.701 263 H GLY 37 HN GLY 37 -3.015 8.546 -2.353 264 HA2 GLY 37 HA2 GLY 37 -3.610 7.173 -0.443 265 HA3 GLY 37 HA1 GLY 37 -2.321 6.063 -0.904 266 H ALA 38 HN ALA 38 -0.890 8.670 -1.570 267 HA ALA 38 HA ALA 38 0.708 9.993 -0.793 268 HB1 ALA 38 HB1 ALA 38 0.064 11.459 1.078 269 HB2 ALA 38 HB2 ALA 38 -1.366 10.455 1.296 270 HB3 ALA 38 HB3 ALA 38 -1.138 11.337 -0.205 271 H SER 39 HN SER 39 -0.372 8.978 2.468 272 HA SER 39 HA SER 39 2.459 8.418 2.988 273 HB2 SER 39 HB2 SER 39 2.222 10.772 3.422 274 HB3 SER 39 HB1 SER 39 0.760 10.490 4.356 275 HG SER 39 HG SER 39 2.241 10.644 5.901 276 H GLY 40 HN GLY 40 -0.851 8.372 3.998 277 HA2 GLY 40 HA2 GLY 40 -0.271 6.462 6.131 278 HA3 GLY 40 HA1 GLY 40 -1.777 7.329 5.855 279 H LEU 41 HN LEU 41 -1.444 4.465 6.199 280 HA LEU 41 HA LEU 41 -2.675 3.846 3.635 281 HB2 LEU 41 HB2 LEU 41 -0.286 2.628 4.684 282 HB3 LEU 41 HB1 LEU 41 -1.564 1.439 4.528 283 HG LEU 41 HG LEU 41 -0.300 1.412 2.523 284 HD11 LEU 41 HD11 LEU 41 -1.997 1.951 0.863 285 HD12 LEU 41 HD12 LEU 41 -2.875 2.898 2.064 286 HD13 LEU 41 HD13 LEU 41 -2.704 1.155 2.270 287 HD21 LEU 41 HD21 LEU 41 0.738 3.592 2.664 288 HD22 LEU 41 HD22 LEU 41 -0.823 4.374 2.398 289 HD23 LEU 41 HD23 LEU 41 -0.076 3.423 1.107 290 H ARG 42 HN ARG 42 -4.319 2.503 3.591 291 HA ARG 42 HA ARG 42 -4.835 0.807 5.929 292 HB2 ARG 42 HB2 ARG 42 -7.002 2.046 4.269 293 HB3 ARG 42 HB1 ARG 42 -7.172 1.129 5.769 294 HG2 ARG 42 HG2 ARG 42 -6.142 2.864 7.044 295 HG3 ARG 42 HG1 ARG 42 -5.711 3.729 5.553 296 HD2 ARG 42 HD2 ARG 42 -8.035 3.973 4.976 297 HD3 ARG 42 HD1 ARG 42 -8.516 3.172 6.481 298 HE ARG 42 HE ARG 42 -7.194 5.116 7.557 299 HH11 ARG 42 HH11 ARG 42 -9.121 5.346 4.645 300 HH12 ARG 42 HH12 ARG 42 -9.462 7.033 4.841 301 HH21 ARG 42 HH21 ARG 42 -7.672 7.328 7.848 302 HH22 ARG 42 HH22 ARG 42 -8.657 8.160 6.678 303 H TYR 43 HN TYR 43 -5.447 -1.383 5.185 304 HA TYR 43 HA TYR 43 -6.292 -1.527 2.419 305 HB2 TYR 43 HB2 TYR 43 -4.655 -3.088 1.676 306 HB3 TYR 43 HB1 TYR 43 -3.871 -1.626 2.287 307 HD1 TYR 43 HD1 TYR 43 -2.671 -1.716 4.464 308 HD2 TYR 43 HD2 TYR 43 -4.268 -5.211 2.665 309 HE1 TYR 43 HE1 TYR 43 -1.275 -3.115 5.946 310 HE2 TYR 43 HE2 TYR 43 -2.871 -6.615 4.118 311 HH TYR 43 HH TYR 43 -0.913 -6.515 5.460 312 H ARG 44 HN ARG 44 -6.974 -3.637 1.728 313 HA ARG 44 HA ARG 44 -8.191 -4.978 4.031 314 HB2 ARG 44 HB2 ARG 44 -9.831 -3.682 2.848 315 HB3 ARG 44 HB1 ARG 44 -9.379 -4.419 1.319 316 HG2 ARG 44 HG2 ARG 44 -10.274 -6.520 1.975 317 HG3 ARG 44 HG1 ARG 44 -10.502 -5.968 3.635 318 HD2 ARG 44 HD2 ARG 44 -12.592 -6.033 2.275 319 HD3 ARG 44 HD1 ARG 44 -12.224 -4.456 2.969 320 HE ARG 44 HE ARG 44 -11.306 -3.883 0.702 321 HH11 ARG 44 HH11 ARG 44 -13.813 -6.331 1.097 322 HH12 ARG 44 HH12 ARG 44 -14.473 -6.065 -0.491 323 HH21 ARG 44 HH21 ARG 44 -12.182 -3.559 -1.363 324 HH22 ARG 44 HH22 ARG 44 -13.559 -4.491 -1.882 325 H ASN 45 HN ASN 45 -7.619 -6.989 4.341 326 HA ASN 45 HA ASN 45 -8.817 -8.888 3.977 327 HB2 ASN 45 HB2 ASN 45 -9.957 -8.364 2.145 328 HB3 ASN 45 HB1 ASN 45 -8.542 -8.259 1.090 329 HD21 ASN 45 HD21 ASN 45 -9.118 -9.730 -0.424 330 HD22 ASN 45 HD22 ASN 45 -9.389 -11.412 -0.099 331 HA PRO 46 HA PRO 46 -5.706 -11.954 2.158 332 HB2 PRO 46 HB2 PRO 46 -3.379 -10.240 1.455 333 HB3 PRO 46 HB1 PRO 46 -3.986 -11.704 0.667 334 HG2 PRO 46 HG2 PRO 46 -4.468 -9.354 -0.427 335 HG3 PRO 46 HG1 PRO 46 -5.760 -10.571 -0.350 336 HD2 PRO 46 HD2 PRO 46 -5.319 -8.171 1.394 337 HD3 PRO 46 HD1 PRO 46 -6.827 -8.772 0.676 338 H VAL 47 HN VAL 47 -5.042 -9.437 4.308 339 HA VAL 47 HA VAL 47 -3.361 -11.231 5.893 340 HB VAL 47 HB VAL 47 -2.398 -9.081 5.721 341 HG11 VAL 47 HG11 VAL 47 -4.869 -7.829 6.842 342 HG12 VAL 47 HG12 VAL 47 -4.404 -7.783 5.143 343 HG13 VAL 47 HG13 VAL 47 -3.390 -7.000 6.357 344 HG21 VAL 47 HG21 VAL 47 -1.958 -10.023 7.804 345 HG22 VAL 47 HG22 VAL 47 -3.582 -9.664 8.386 346 HG23 VAL 47 HG23 VAL 47 -2.419 -8.353 8.153 347 H SER 48 HN SER 48 -5.361 -8.775 7.291 348 HA SER 48 HA SER 48 -6.897 -10.880 8.555 349 HB2 SER 48 HB2 SER 48 -5.407 -9.500 10.000 350 HB3 SER 48 HB1 SER 48 -6.363 -8.085 9.568 351 HG SER 48 HG SER 48 -8.103 -9.843 10.395 352 H GLN 49 HN GLN 49 -7.419 -9.113 5.962 353 HA GLN 49 HA GLN 49 -8.917 -7.714 5.040 354 HB2 GLN 49 HB2 GLN 49 -10.178 -9.896 5.692 355 HB3 GLN 49 HB1 GLN 49 -11.024 -8.789 6.765 356 HG2 GLN 49 HG2 GLN 49 -11.729 -7.445 5.022 357 HG3 GLN 49 HG1 GLN 49 -10.587 -8.173 3.913 358 HE21 GLN 49 HE21 GLN 49 -10.991 -10.110 3.078 359 HE22 GLN 49 HE22 GLN 49 -12.552 -10.792 3.063 360 H SER 50 HN SER 50 -7.706 -6.849 7.591 361 HA SER 50 HA SER 50 -9.666 -4.892 8.515 362 HB2 SER 50 HB2 SER 50 -8.351 -6.392 10.145 363 HB3 SER 50 HB1 SER 50 -6.996 -5.345 9.736 364 HG SER 50 HG SER 50 -9.308 -4.010 10.393 365 H MET 51 HN MET 51 -9.370 -2.729 8.142 366 HA MET 51 HA MET 51 -7.613 -1.920 6.099 367 HB2 MET 51 HB2 MET 51 -8.295 0.399 6.683 368 HB3 MET 51 HB1 MET 51 -9.649 -0.692 6.443 369 HG2 MET 51 HG2 MET 51 -9.970 -0.874 8.834 370 HG3 MET 51 HG1 MET 51 -8.549 0.130 9.122 371 HE1 MET 51 HE1 MET 51 -11.440 2.510 10.219 372 HE2 MET 51 HE2 MET 51 -9.912 1.756 10.676 373 HE3 MET 51 HE3 MET 51 -11.353 0.765 10.453 374 H ARG 52 HN ARG 52 -5.554 -2.554 6.678 375 HA ARG 52 HA ARG 52 -4.347 -1.314 9.028 376 HB2 ARG 52 HB2 ARG 52 -4.044 -3.699 8.846 377 HB3 ARG 52 HB1 ARG 52 -3.428 -3.539 7.219 378 HG2 ARG 52 HG2 ARG 52 -1.480 -2.389 8.075 379 HG3 ARG 52 HG1 ARG 52 -2.129 -2.524 9.725 380 HD2 ARG 52 HD2 ARG 52 -2.289 -4.977 9.374 381 HD3 ARG 52 HD1 ARG 52 -1.413 -4.770 7.879 382 HE ARG 52 HE ARG 52 0.227 -3.607 9.701 383 HH11 ARG 52 HH11 ARG 52 -1.408 -6.712 9.650 384 HH12 ARG 52 HH12 ARG 52 -0.151 -7.536 10.529 385 HH21 ARG 52 HH21 ARG 52 1.867 -4.678 10.877 386 HH22 ARG 52 HH22 ARG 52 1.712 -6.375 11.236 387 H GLY 53 HN GLY 53 -2.526 -0.164 8.881 388 HA2 GLY 53 HA2 GLY 53 -1.958 1.082 6.354 389 HA3 GLY 53 HA1 GLY 53 -1.335 1.597 7.912 390 H VAL 54 HN VAL 54 0.098 1.560 5.668 391 HA VAL 54 HA VAL 54 1.898 -0.725 5.750 392 HB VAL 54 HB VAL 54 1.612 1.499 3.727 393 HG11 VAL 54 HG11 VAL 54 3.287 0.308 2.389 394 HG12 VAL 54 HG12 VAL 54 3.553 -0.810 3.728 395 HG13 VAL 54 HG13 VAL 54 3.965 0.894 3.908 396 HG21 VAL 54 HG21 VAL 54 0.892 -0.282 2.237 397 HG22 VAL 54 HG22 VAL 54 -0.121 -0.240 3.681 398 HG23 VAL 54 HG23 VAL 54 1.131 -1.470 3.517 399 H ARG 55 HN ARG 55 4.176 -0.417 6.067 400 HA ARG 55 HA ARG 55 4.569 1.284 8.295 401 HB2 ARG 55 HB2 ARG 55 6.574 -0.291 6.771 402 HB3 ARG 55 HB1 ARG 55 6.805 0.408 8.369 403 HG2 ARG 55 HG2 ARG 55 6.202 -1.643 9.021 404 HG3 ARG 55 HG1 ARG 55 4.585 -0.991 8.818 405 HD2 ARG 55 HD2 ARG 55 4.581 -1.828 6.495 406 HD3 ARG 55 HD1 ARG 55 6.134 -2.585 6.805 407 HE ARG 55 HE ARG 55 5.106 -4.197 8.115 408 HH11 ARG 55 HH11 ARG 55 2.799 -1.764 7.123 409 HH12 ARG 55 HH12 ARG 55 1.412 -2.733 7.473 410 HH21 ARG 55 HH21 ARG 55 3.299 -5.509 8.553 411 HH22 ARG 55 HH22 ARG 55 1.697 -4.882 8.282 412 H LEU 56 HN LEU 56 5.443 3.300 8.406 413 HA LEU 56 HA LEU 56 6.936 4.189 6.048 414 HB2 LEU 56 HB2 LEU 56 6.383 6.474 6.529 415 HB3 LEU 56 HB1 LEU 56 4.924 5.528 6.431 416 HG LEU 56 HG LEU 56 4.480 7.016 8.131 417 HD11 LEU 56 HD11 LEU 56 4.386 5.834 10.229 418 HD12 LEU 56 HD12 LEU 56 5.564 4.660 9.645 419 HD13 LEU 56 HD13 LEU 56 3.974 4.764 8.888 420 HD21 LEU 56 HD21 LEU 56 6.654 8.020 8.332 421 HD22 LEU 56 HD22 LEU 56 7.259 6.609 9.204 422 HD23 LEU 56 HD23 LEU 56 6.020 7.632 9.933 423 H VAL 57 HN VAL 57 9.051 4.214 6.268 424 HA VAL 57 HA VAL 57 10.220 4.723 8.935 425 HB VAL 57 HB VAL 57 11.379 2.686 7.046 426 HG11 VAL 57 HG11 VAL 57 11.616 2.970 10.040 427 HG12 VAL 57 HG12 VAL 57 12.746 3.650 8.876 428 HG13 VAL 57 HG13 VAL 57 12.549 1.902 8.990 429 HG21 VAL 57 HG21 VAL 57 10.311 0.894 8.359 430 HG22 VAL 57 HG22 VAL 57 9.124 1.889 7.516 431 HG23 VAL 57 HG23 VAL 57 9.384 2.102 9.247 432 H GLU 58 HN GLU 58 11.544 6.461 8.706 433 HA GLU 58 HA GLU 58 13.109 7.901 7.865 434 HB2 GLU 58 HB2 GLU 58 14.014 5.546 6.208 435 HB3 GLU 58 HB1 GLU 58 14.971 6.948 6.665 436 HG2 GLU 58 HG2 GLU 58 14.874 6.274 8.992 437 HG3 GLU 58 HG1 GLU 58 13.863 4.899 8.556 438 H GLY 59 HN GLY 59 10.584 7.892 6.529 439 HA2 GLY 59 HA2 GLY 59 9.766 9.086 4.707 440 HA3 GLY 59 HA1 GLY 59 11.385 9.108 4.025 441 H ILE 60 HN ILE 60 10.827 5.967 4.821 442 HA ILE 60 HA ILE 60 10.071 5.303 2.080 443 HB ILE 60 HB ILE 60 10.699 3.251 4.119 444 HG12 ILE 60 HG12 ILE 60 12.733 4.737 2.531 445 HG13 ILE 60 HG11 ILE 60 12.487 4.962 4.257 446 HG21 ILE 60 HG21 ILE 60 9.833 2.954 1.693 447 HG22 ILE 60 HG22 ILE 60 11.130 1.937 2.288 448 HG23 ILE 60 HG23 ILE 60 11.504 3.305 1.250 449 HD11 ILE 60 HD11 ILE 60 13.557 2.601 2.794 450 HD12 ILE 60 HD12 ILE 60 12.812 2.476 4.378 451 HD13 ILE 60 HD13 ILE 60 14.241 3.484 4.168 452 H LEU 61 HN LEU 61 8.295 4.062 1.577 453 HA LEU 61 HA LEU 61 6.498 3.315 3.788 454 HB2 LEU 61 HB2 LEU 61 5.706 4.685 1.716 455 HB3 LEU 61 HB1 LEU 61 5.797 3.155 0.866 456 HG LEU 61 HG LEU 61 4.228 2.219 2.605 457 HD11 LEU 61 HD11 LEU 61 3.875 5.137 3.277 458 HD12 LEU 61 HD12 LEU 61 4.600 3.917 4.324 459 HD13 LEU 61 HD13 LEU 61 2.895 3.803 3.886 460 HD21 LEU 61 HD21 LEU 61 3.224 4.500 0.904 461 HD22 LEU 61 HD22 LEU 61 2.252 3.175 1.544 462 HD23 LEU 61 HD23 LEU 61 3.509 2.850 0.349 463 H HIS 62 HN HIS 62 6.681 1.174 4.423 464 HA HIS 62 HA HIS 62 7.999 -0.595 2.462 465 HB2 HIS 62 HB2 HIS 62 9.278 0.182 4.605 466 HB3 HIS 62 HB1 HIS 62 8.281 -1.019 5.418 467 HD1 HIS 62 HD1 HIS 62 9.289 -3.296 5.503 468 HD2 HIS 62 HD2 HIS 62 10.727 -1.062 2.307 469 HE1 HIS 62 HE1 HIS 62 11.038 -4.726 4.409 470 HE2 HIS 62 HE2 HIS 62 11.722 -3.448 2.347 471 H ALA 63 HN ALA 63 7.017 -2.418 1.949 472 HA ALA 63 HA ALA 63 4.749 -3.376 3.510 473 HB1 ALA 63 HB1 ALA 63 4.239 -4.774 1.717 474 HB2 ALA 63 HB2 ALA 63 5.901 -4.814 1.147 475 HB3 ALA 63 HB3 ALA 63 4.927 -3.361 0.914 476 HA PRO 64 HA PRO 64 7.002 -6.216 5.933 477 HB2 PRO 64 HB2 PRO 64 5.370 -8.547 5.152 478 HB3 PRO 64 HB1 PRO 64 5.523 -7.762 6.728 479 HG2 PRO 64 HG2 PRO 64 3.283 -7.522 5.304 480 HG3 PRO 64 HG1 PRO 64 3.928 -6.144 6.222 481 HD2 PRO 64 HD2 PRO 64 4.230 -6.774 3.296 482 HD3 PRO 64 HD1 PRO 64 3.734 -5.234 4.057 483 H ASP 65 HN ASP 65 8.411 -8.104 5.954 484 HA ASP 65 HA ASP 65 10.252 -7.996 3.942 485 HB2 ASP 65 HB2 ASP 65 9.617 -10.223 5.871 486 HB3 ASP 65 HB1 ASP 65 11.017 -10.278 4.807 487 H ALA 66 HN ALA 66 7.681 -10.354 4.301 488 HA ALA 66 HA ALA 66 7.547 -10.877 1.476 489 HB1 ALA 66 HB1 ALA 66 7.942 -13.358 1.904 490 HB2 ALA 66 HB2 ALA 66 8.647 -12.838 3.441 491 HB3 ALA 66 HB3 ALA 66 9.369 -12.317 1.918 492 H GLY 67 HN GLY 67 5.847 -9.861 3.508 493 HA2 GLY 67 HA2 GLY 67 4.382 -11.825 4.892 494 HA3 GLY 67 HA1 GLY 67 3.888 -10.159 4.663 495 H TRP 68 HN TRP 68 2.619 -9.628 2.792 496 HA TRP 68 HA TRP 68 0.941 -11.890 2.077 497 HB2 TRP 68 HB2 TRP 68 -0.128 -9.265 1.493 498 HB3 TRP 68 HB1 TRP 68 -0.762 -10.518 2.545 499 HD1 TRP 68 HD1 TRP 68 0.589 -7.097 2.699 500 HE1 TRP 68 HE1 TRP 68 1.133 -6.450 5.126 501 HE3 TRP 68 HE3 TRP 68 0.330 -11.699 4.805 502 HZ2 TRP 68 HZ2 TRP 68 1.388 -7.745 7.640 503 HZ3 TRP 68 HZ3 TRP 68 0.726 -11.944 7.235 504 HH2 TRP 68 HH2 TRP 68 1.253 -9.996 8.618 505 H GLY 69 HN GLY 69 1.294 -8.730 0.607 506 HA2 GLY 69 HA2 GLY 69 3.018 -9.302 -1.452 507 HA3 GLY 69 HA1 GLY 69 1.439 -9.852 -1.971 508 H ASN 70 HN ASN 70 -0.323 -8.277 -1.831 509 HA ASN 70 HA ASN 70 0.626 -5.660 -2.753 510 HB2 ASN 70 HB2 ASN 70 -1.192 -5.814 -4.521 511 HB3 ASN 70 HB1 ASN 70 0.306 -6.654 -4.836 512 HD21 ASN 70 HD21 ASN 70 -2.175 -7.110 -6.087 513 HD22 ASN 70 HD22 ASN 70 -2.698 -8.711 -5.707 514 H LEU 71 HN LEU 71 -2.236 -7.577 -2.142 515 HA LEU 71 HA LEU 71 -4.220 -7.104 -1.191 516 HB2 LEU 71 HB2 LEU 71 -2.798 -5.017 0.362 517 HB3 LEU 71 HB1 LEU 71 -4.149 -6.006 0.870 518 HG LEU 71 HG LEU 71 -2.566 -7.064 2.079 519 HD11 LEU 71 HD11 LEU 71 -1.620 -8.316 -0.453 520 HD12 LEU 71 HD12 LEU 71 -3.200 -8.663 0.246 521 HD13 LEU 71 HD13 LEU 71 -1.732 -9.024 1.161 522 HD21 LEU 71 HD21 LEU 71 -0.837 -5.552 1.875 523 HD22 LEU 71 HD22 LEU 71 -0.633 -5.879 0.158 524 HD23 LEU 71 HD23 LEU 71 -0.119 -7.077 1.350 525 H VAL 72 HN VAL 72 -5.802 -5.434 -0.694 526 HA VAL 72 HA VAL 72 -5.537 -3.399 -2.803 527 HB VAL 72 HB VAL 72 -7.531 -4.615 -2.960 528 HG11 VAL 72 HG11 VAL 72 -8.481 -4.038 -0.222 529 HG12 VAL 72 HG12 VAL 72 -7.133 -5.189 -0.382 530 HG13 VAL 72 HG13 VAL 72 -8.683 -5.490 -1.218 531 HG21 VAL 72 HG21 VAL 72 -9.199 -2.941 -2.774 532 HG22 VAL 72 HG22 VAL 72 -7.665 -2.111 -3.080 533 HG23 VAL 72 HG23 VAL 72 -8.345 -2.143 -1.450 534 H TYR 73 HN TYR 73 -4.311 -1.720 -1.964 535 HA TYR 73 HA TYR 73 -4.698 -0.881 0.727 536 HB2 TYR 73 HB2 TYR 73 -3.242 0.476 -1.535 537 HB3 TYR 73 HB1 TYR 73 -3.161 0.940 0.160 538 HD1 TYR 73 HD1 TYR 73 -0.914 0.090 -1.753 539 HD2 TYR 73 HD2 TYR 73 -3.138 -2.011 1.165 540 HE1 TYR 73 HE1 TYR 73 0.973 -1.416 -1.425 541 HE2 TYR 73 HE2 TYR 73 -1.240 -3.532 1.531 542 HH TYR 73 HH TYR 73 0.767 -4.324 0.106 543 H VAL 74 HN VAL 74 -5.554 0.870 1.518 544 HA VAL 74 HA VAL 74 -7.566 2.309 -0.055 545 HB VAL 74 HB VAL 74 -7.325 1.251 2.718 546 HG11 VAL 74 HG11 VAL 74 -9.033 3.660 2.021 547 HG12 VAL 74 HG12 VAL 74 -7.687 3.617 3.166 548 HG13 VAL 74 HG13 VAL 74 -9.167 2.716 3.508 549 HG21 VAL 74 HG21 VAL 74 -9.676 0.673 2.314 550 HG22 VAL 74 HG22 VAL 74 -8.578 0.046 1.088 551 HG23 VAL 74 HG23 VAL 74 -9.578 1.454 0.735 552 H VAL 75 HN VAL 75 -7.851 4.642 0.619 553 HA VAL 75 HA VAL 75 -5.164 5.754 0.497 554 HB VAL 75 HB VAL 75 -7.343 6.373 -1.034 555 HG11 VAL 75 HG11 VAL 75 -7.296 8.425 1.174 556 HG12 VAL 75 HG12 VAL 75 -8.634 7.378 0.701 557 HG13 VAL 75 HG13 VAL 75 -8.078 8.645 -0.391 558 HG21 VAL 75 HG21 VAL 75 -6.127 8.344 -1.738 559 HG22 VAL 75 HG22 VAL 75 -5.053 6.962 -1.507 560 HG23 VAL 75 HG23 VAL 75 -5.114 8.249 -0.300 561 H ASN 76 HN ASN 76 -4.208 6.489 2.300 562 HA ASN 76 HA ASN 76 -5.907 8.012 4.152 563 HB2 ASN 76 HB2 ASN 76 -5.272 5.735 5.029 564 HB3 ASN 76 HB1 ASN 76 -3.602 6.274 4.996 565 HD21 ASN 76 HD21 ASN 76 -3.709 5.701 7.254 566 HD22 ASN 76 HD22 ASN 76 -4.300 6.862 8.386 567 H TYR 77 HN TYR 77 -5.221 10.063 4.304 568 HA TYR 77 HA TYR 77 -2.441 10.534 4.851 569 HB2 TYR 77 HB2 TYR 77 -2.632 12.576 3.254 570 HB3 TYR 77 HB1 TYR 77 -2.013 11.036 2.693 571 HD1 TYR 77 HD1 TYR 77 -3.263 9.701 1.155 572 HD2 TYR 77 HD2 TYR 77 -4.852 13.387 2.559 573 HE1 TYR 77 HE1 TYR 77 -4.958 9.626 -0.619 574 HE2 TYR 77 HE2 TYR 77 -6.553 13.337 0.783 575 HH TYR 77 HH TYR 77 -6.897 12.338 -1.401 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 6.774 -15.541 -8.936 2 H2 MET 1 HT2 MET 1 6.176 -14.202 -9.791 3 H3 MET 1 HT3 MET 1 6.358 -14.119 -8.108 4 HA MET 1 HA MET 1 8.709 -14.235 -8.266 5 HB2 MET 1 HB2 MET 1 9.832 -14.233 -10.460 6 HB3 MET 1 HB1 MET 1 8.901 -15.700 -10.205 7 HG2 MET 1 HG2 MET 1 7.118 -14.810 -11.623 8 HG3 MET 1 HG1 MET 1 8.064 -13.343 -11.881 9 HE1 MET 1 HE1 MET 1 10.394 -13.299 -13.147 10 HE2 MET 1 HE2 MET 1 11.163 -14.726 -13.842 11 HE3 MET 1 HE3 MET 1 11.026 -14.562 -12.091 12 H SER 2 HN SER 2 9.377 -12.276 -7.756 13 HA SER 2 HA SER 2 9.401 -10.020 -7.502 14 HB2 SER 2 HB2 SER 2 8.612 -9.901 -10.429 15 HB3 SER 2 HB1 SER 2 9.382 -8.623 -9.489 16 HG SER 2 HG SER 2 10.694 -10.141 -10.937 17 H GLU 3 HN GLU 3 7.621 -10.060 -6.089 18 HA GLU 3 HA GLU 3 4.966 -10.079 -7.122 19 HB2 GLU 3 HB2 GLU 3 5.947 -9.720 -4.310 20 HB3 GLU 3 HB1 GLU 3 4.283 -10.057 -4.774 21 HG2 GLU 3 HG2 GLU 3 6.684 -11.839 -4.895 22 HG3 GLU 3 HG1 GLU 3 5.169 -12.098 -4.036 23 H TYR 4 HN TYR 4 3.383 -8.425 -6.669 24 HA TYR 4 HA TYR 4 4.567 -5.744 -6.495 25 HB2 TYR 4 HB2 TYR 4 3.174 -4.993 -8.314 26 HB3 TYR 4 HB1 TYR 4 4.032 -6.429 -8.861 27 HD1 TYR 4 HD1 TYR 4 0.808 -5.253 -7.520 28 HD2 TYR 4 HD2 TYR 4 2.821 -8.283 -9.710 29 HE1 TYR 4 HE1 TYR 4 -1.338 -6.214 -8.117 30 HE2 TYR 4 HE2 TYR 4 0.652 -9.280 -10.326 31 HH TYR 4 HH TYR 4 -1.651 -9.318 -9.602 32 H ILE 5 HN ILE 5 2.624 -4.110 -6.193 33 HA ILE 5 HA ILE 5 0.919 -5.276 -4.095 34 HB ILE 5 HB ILE 5 1.012 -3.289 -2.861 35 HG12 ILE 5 HG12 ILE 5 2.705 -2.099 -5.072 36 HG13 ILE 5 HG11 ILE 5 1.009 -1.726 -4.795 37 HG21 ILE 5 HG21 ILE 5 3.335 -3.177 -2.212 38 HG22 ILE 5 HG22 ILE 5 3.828 -3.867 -3.755 39 HG23 ILE 5 HG23 ILE 5 2.915 -4.845 -2.606 40 HD11 ILE 5 HD11 ILE 5 2.402 0.035 -3.937 41 HD12 ILE 5 HD12 ILE 5 3.297 -1.118 -2.953 42 HD13 ILE 5 HD13 ILE 5 1.603 -0.797 -2.598 43 H ARG 6 HN ARG 6 -1.108 -4.020 -3.628 44 HA ARG 6 HA ARG 6 -2.192 -2.893 -6.134 45 HB2 ARG 6 HB2 ARG 6 -3.025 -5.072 -4.415 46 HB3 ARG 6 HB1 ARG 6 -4.255 -3.804 -4.412 47 HG2 ARG 6 HG2 ARG 6 -3.170 -4.832 -6.989 48 HG3 ARG 6 HG1 ARG 6 -4.470 -5.669 -6.124 49 HD2 ARG 6 HD2 ARG 6 -5.126 -2.975 -6.031 50 HD3 ARG 6 HD1 ARG 6 -4.578 -3.254 -7.677 51 HE ARG 6 HE ARG 6 -7.010 -3.948 -6.603 52 HH11 ARG 6 HH11 ARG 6 -4.591 -5.517 -8.554 53 HH12 ARG 6 HH12 ARG 6 -5.730 -6.531 -9.379 54 HH21 ARG 6 HH21 ARG 6 -8.511 -5.296 -7.648 55 HH22 ARG 6 HH22 ARG 6 -7.949 -6.401 -8.866 56 H VAL 7 HN VAL 7 -2.959 -0.746 -5.889 57 HA VAL 7 HA VAL 7 -3.772 0.060 -3.194 58 HB VAL 7 HB VAL 7 -1.639 0.936 -3.115 59 HG11 VAL 7 HG11 VAL 7 -1.925 1.476 -6.042 60 HG12 VAL 7 HG12 VAL 7 -0.695 0.529 -5.189 61 HG13 VAL 7 HG13 VAL 7 -0.691 2.291 -5.082 62 HG21 VAL 7 HG21 VAL 7 -1.808 3.374 -3.384 63 HG22 VAL 7 HG22 VAL 7 -3.216 2.679 -2.579 64 HG23 VAL 7 HG23 VAL 7 -3.312 3.148 -4.277 65 H THR 8 HN THR 8 -5.445 1.522 -3.103 66 HA THR 8 HA THR 8 -5.929 3.222 -5.373 67 HB THR 8 HB THR 8 -7.323 1.535 -6.122 68 HG1 THR 8 HG1 THR 8 -8.386 3.543 -6.112 69 HG21 THR 8 HG21 THR 8 -8.505 0.076 -4.916 70 HG22 THR 8 HG22 THR 8 -8.916 1.235 -3.647 71 HG23 THR 8 HG23 THR 8 -7.313 0.491 -3.681 72 H GLU 9 HN GLU 9 -7.688 4.913 -4.796 73 HA GLU 9 HA GLU 9 -7.117 5.834 -2.154 74 HB2 GLU 9 HB2 GLU 9 -8.908 6.944 -4.291 75 HB3 GLU 9 HB1 GLU 9 -8.671 7.696 -2.719 76 HG2 GLU 9 HG2 GLU 9 -7.003 8.805 -3.697 77 HG3 GLU 9 HG1 GLU 9 -6.115 7.297 -3.532 78 H ASP 10 HN ASP 10 -9.777 4.300 -3.732 79 HA ASP 10 HA ASP 10 -10.966 3.887 -1.107 80 HB2 ASP 10 HB2 ASP 10 -12.253 5.544 -2.864 81 HB3 ASP 10 HB1 ASP 10 -12.886 3.959 -3.316 82 H GLU 11 HN GLU 11 -12.238 1.967 -1.103 83 HA GLU 11 HA GLU 11 -10.689 -0.188 -2.046 84 HB2 GLU 11 HB2 GLU 11 -13.589 -0.537 -1.423 85 HB3 GLU 11 HB1 GLU 11 -12.219 -1.500 -0.880 86 HG2 GLU 11 HG2 GLU 11 -11.595 0.235 0.669 87 HG3 GLU 11 HG1 GLU 11 -12.887 1.265 0.085 88 H ASN 12 HN ASN 12 -13.634 1.333 -3.029 89 HA ASN 12 HA ASN 12 -13.731 -0.187 -5.502 90 HB2 ASN 12 HB2 ASN 12 -16.029 0.909 -5.551 91 HB3 ASN 12 HB1 ASN 12 -15.764 -0.355 -4.373 92 HD21 ASN 12 HD21 ASN 12 -15.700 0.156 -2.227 93 HD22 ASN 12 HD22 ASN 12 -16.223 1.693 -1.620 94 H ASP 13 HN ASP 13 -11.936 2.348 -4.960 95 HA ASP 13 HA ASP 13 -13.089 4.120 -6.967 96 HB2 ASP 13 HB2 ASP 13 -11.305 4.813 -5.105 97 HB3 ASP 13 HB1 ASP 13 -10.166 4.235 -6.300 98 H GLU 14 HN GLU 14 -9.880 3.875 -7.604 99 HA GLU 14 HA GLU 14 -10.221 1.598 -9.442 100 HB2 GLU 14 HB2 GLU 14 -8.771 4.143 -9.918 101 HB3 GLU 14 HB1 GLU 14 -8.375 2.697 -10.819 102 HG2 GLU 14 HG2 GLU 14 -10.765 2.591 -11.521 103 HG3 GLU 14 HG1 GLU 14 -10.993 4.169 -10.767 104 HA PRO 15 HA PRO 15 -6.814 0.378 -6.680 105 HB2 PRO 15 HB2 PRO 15 -7.354 -2.261 -6.774 106 HB3 PRO 15 HB1 PRO 15 -8.143 -1.164 -5.637 107 HG2 PRO 15 HG2 PRO 15 -9.062 -2.195 -8.247 108 HG3 PRO 15 HG1 PRO 15 -9.948 -2.080 -6.713 109 HD2 PRO 15 HD2 PRO 15 -10.284 -0.288 -8.716 110 HD3 PRO 15 HD1 PRO 15 -10.377 0.182 -7.004 111 H ILE 16 HN ILE 16 -4.877 -0.215 -7.429 112 HA ILE 16 HA ILE 16 -4.713 -1.058 -10.227 113 HB ILE 16 HB ILE 16 -2.764 0.543 -10.404 114 HG12 ILE 16 HG12 ILE 16 -3.276 0.839 -7.661 115 HG13 ILE 16 HG11 ILE 16 -2.152 1.774 -8.629 116 HG21 ILE 16 HG21 ILE 16 -4.195 2.452 -10.896 117 HG22 ILE 16 HG22 ILE 16 -5.499 1.681 -9.998 118 HG23 ILE 16 HG23 ILE 16 -4.900 0.942 -11.480 119 HD11 ILE 16 HD11 ILE 16 -3.510 3.315 -7.448 120 HD12 ILE 16 HD12 ILE 16 -4.990 2.470 -7.917 121 HD13 ILE 16 HD13 ILE 16 -4.052 3.360 -9.129 122 H GLU 17 HN GLU 17 -2.745 -2.071 -10.825 123 HA GLU 17 HA GLU 17 -1.414 -3.314 -8.531 124 HB2 GLU 17 HB2 GLU 17 -1.488 -4.340 -11.348 125 HB3 GLU 17 HB1 GLU 17 -0.960 -5.186 -9.899 126 HG2 GLU 17 HG2 GLU 17 -3.021 -6.100 -10.098 127 HG3 GLU 17 HG1 GLU 17 -3.471 -4.672 -9.147 128 H ILE 18 HN ILE 18 0.652 -2.933 -8.189 129 HA ILE 18 HA ILE 18 2.321 -1.855 -10.345 130 HB ILE 18 HB ILE 18 3.123 0.027 -8.883 131 HG12 ILE 18 HG12 ILE 18 0.579 -0.435 -7.344 132 HG13 ILE 18 HG11 ILE 18 2.170 -0.934 -6.769 133 HG21 ILE 18 HG21 ILE 18 0.234 0.117 -9.731 134 HG22 ILE 18 HG22 ILE 18 1.634 0.424 -10.761 135 HG23 ILE 18 HG23 ILE 18 1.263 1.517 -9.426 136 HD11 ILE 18 HD11 ILE 18 2.790 1.550 -7.194 137 HD12 ILE 18 HD12 ILE 18 1.909 1.086 -5.750 138 HD13 ILE 18 HD13 ILE 18 1.046 1.802 -7.108 139 HA PRO 19 HA PRO 19 5.382 -4.210 -8.120 140 HB2 PRO 19 HB2 PRO 19 7.524 -3.573 -9.629 141 HB3 PRO 19 HB1 PRO 19 6.256 -4.660 -10.205 142 HG2 PRO 19 HG2 PRO 19 6.732 -1.790 -10.853 143 HG3 PRO 19 HG1 PRO 19 6.163 -3.099 -11.902 144 HD2 PRO 19 HD2 PRO 19 4.546 -1.187 -10.723 145 HD3 PRO 19 HD1 PRO 19 3.989 -2.764 -11.313 146 H SER 20 HN SER 20 7.028 -3.877 -6.620 147 HA SER 20 HA SER 20 7.633 -1.064 -6.009 148 HB2 SER 20 HB2 SER 20 7.083 -3.276 -4.040 149 HB3 SER 20 HB1 SER 20 7.503 -1.616 -3.628 150 HG SER 20 HG SER 20 5.360 -1.945 -5.356 151 H GLU 21 HN GLU 21 9.543 -0.889 -4.443 152 HA GLU 21 HA GLU 21 11.812 -1.997 -5.710 153 HB2 GLU 21 HB2 GLU 21 11.761 0.223 -4.633 154 HB3 GLU 21 HB1 GLU 21 11.659 -0.583 -3.081 155 HG2 GLU 21 HG2 GLU 21 13.830 -1.425 -3.231 156 HG3 GLU 21 HG1 GLU 21 13.922 -1.107 -4.963 157 H ASP 22 HN ASP 22 13.390 -3.266 -4.947 158 HA ASP 22 HA ASP 22 12.728 -5.802 -4.121 159 HB2 ASP 22 HB2 ASP 22 14.793 -5.275 -5.260 160 HB3 ASP 22 HB1 ASP 22 15.273 -4.242 -3.919 161 H ASP 23 HN ASP 23 13.444 -3.009 -2.236 162 HA ASP 23 HA ASP 23 14.220 -4.483 0.128 163 HB2 ASP 23 HB2 ASP 23 15.207 -2.322 -0.304 164 HB3 ASP 23 HB1 ASP 23 13.627 -1.555 -0.255 165 H GLY 24 HN GLY 24 11.463 -3.844 -1.452 166 HA2 GLY 24 HA2 GLY 24 9.259 -4.380 -0.818 167 HA3 GLY 24 HA1 GLY 24 9.772 -4.459 0.873 168 H THR 25 HN THR 25 10.547 -1.952 -1.355 169 HA THR 25 HA THR 25 9.507 -0.051 0.621 170 HB THR 25 HB THR 25 12.179 -0.687 -0.269 171 HG1 THR 25 HG1 THR 25 12.538 -0.177 1.728 172 HG21 THR 25 HG21 THR 25 11.801 1.189 -1.777 173 HG22 THR 25 HG22 THR 25 13.073 1.513 -0.597 174 HG23 THR 25 HG23 THR 25 11.471 2.233 -0.395 175 H VAL 26 HN VAL 26 8.861 1.959 -0.092 176 HA VAL 26 HA VAL 26 9.112 2.638 -2.886 177 HB VAL 26 HB VAL 26 6.669 3.511 -2.655 178 HG11 VAL 26 HG11 VAL 26 5.855 1.379 -3.628 179 HG12 VAL 26 HG12 VAL 26 7.374 0.622 -3.130 180 HG13 VAL 26 HG13 VAL 26 7.381 1.914 -4.336 181 HG21 VAL 26 HG21 VAL 26 6.189 2.960 -0.425 182 HG22 VAL 26 HG22 VAL 26 6.853 1.342 -0.626 183 HG23 VAL 26 HG23 VAL 26 5.323 1.763 -1.396 184 H LEU 27 HN LEU 27 9.086 4.852 -3.279 185 HA LEU 27 HA LEU 27 9.996 6.584 -1.230 186 HB2 LEU 27 HB2 LEU 27 9.224 8.244 -3.272 187 HB3 LEU 27 HB1 LEU 27 10.770 7.394 -3.204 188 HG LEU 27 HG LEU 27 9.531 5.509 -4.475 189 HD11 LEU 27 HD11 LEU 27 7.752 6.795 -5.970 190 HD12 LEU 27 HD12 LEU 27 7.562 7.712 -4.459 191 HD13 LEU 27 HD13 LEU 27 7.320 5.957 -4.476 192 HD21 LEU 27 HD21 LEU 27 11.273 6.876 -5.486 193 HD22 LEU 27 HD22 LEU 27 10.097 8.145 -5.827 194 HD23 LEU 27 HD23 LEU 27 9.965 6.581 -6.631 195 H LEU 28 HN LEU 28 8.608 7.017 0.438 196 HA LEU 28 HA LEU 28 5.816 6.790 0.128 197 HB2 LEU 28 HB2 LEU 28 6.097 6.413 2.305 198 HB3 LEU 28 HB1 LEU 28 7.759 6.953 2.172 199 HG LEU 28 HG LEU 28 6.866 9.293 2.474 200 HD11 LEU 28 HD11 LEU 28 4.470 7.765 3.500 201 HD12 LEU 28 HD12 LEU 28 4.498 8.820 2.088 202 HD13 LEU 28 HD13 LEU 28 4.748 9.497 3.697 203 HD21 LEU 28 HD21 LEU 28 6.862 9.079 4.908 204 HD22 LEU 28 HD22 LEU 28 8.129 8.095 4.175 205 HD23 LEU 28 HD23 LEU 28 6.647 7.336 4.754 206 H SER 29 HN SER 29 7.961 9.552 0.642 207 HA SER 29 HA SER 29 5.889 11.490 0.672 208 HB2 SER 29 HB2 SER 29 7.881 13.084 0.358 209 HB3 SER 29 HB1 SER 29 7.890 12.077 1.806 210 HG SER 29 HG SER 29 9.573 12.056 -0.391 211 H THR 30 HN THR 30 7.944 10.066 -1.736 212 HA THR 30 HA THR 30 7.378 11.942 -3.789 213 HB THR 30 HB THR 30 8.627 9.247 -3.692 214 HG1 THR 30 HG1 THR 30 10.503 10.430 -4.178 215 HG21 THR 30 HG21 THR 30 7.497 9.336 -5.716 216 HG22 THR 30 HG22 THR 30 9.204 9.577 -6.068 217 HG23 THR 30 HG23 THR 30 8.082 10.947 -6.097 218 H VAL 31 HN VAL 31 6.134 8.944 -2.617 219 HA VAL 31 HA VAL 31 4.111 8.521 -4.506 220 HB VAL 31 HB VAL 31 4.664 7.588 -1.728 221 HG11 VAL 31 HG11 VAL 31 2.039 7.056 -3.115 222 HG12 VAL 31 HG12 VAL 31 2.246 8.059 -1.680 223 HG13 VAL 31 HG13 VAL 31 2.594 6.331 -1.605 224 HG21 VAL 31 HG21 VAL 31 4.845 5.496 -2.756 225 HG22 VAL 31 HG22 VAL 31 5.502 6.620 -3.952 226 HG23 VAL 31 HG23 VAL 31 3.867 5.992 -4.136 227 H THR 32 HN THR 32 4.180 10.457 -1.495 228 HA THR 32 HA THR 32 1.394 10.911 -1.455 229 HB THR 32 HB THR 32 1.657 12.246 0.370 230 HG1 THR 32 HG1 THR 32 4.055 13.324 0.392 231 HG21 THR 32 HG21 THR 32 3.654 10.275 0.129 232 HG22 THR 32 HG22 THR 32 2.824 10.843 1.580 233 HG23 THR 32 HG23 THR 32 4.312 11.630 1.046 234 H ALA 33 HN ALA 33 3.898 12.374 -3.287 235 HA ALA 33 HA ALA 33 2.796 14.753 -4.133 236 HB1 ALA 33 HB1 ALA 33 4.140 12.937 -6.043 237 HB2 ALA 33 HB2 ALA 33 4.991 13.676 -4.702 238 HB3 ALA 33 HB3 ALA 33 4.240 14.696 -5.920 239 H GLN 34 HN GLN 34 0.509 13.204 -3.894 240 HA GLN 34 HA GLN 34 -1.009 13.625 -6.170 241 HB2 GLN 34 HB2 GLN 34 -1.184 11.273 -6.997 242 HB3 GLN 34 HB1 GLN 34 0.370 12.046 -7.333 243 HG2 GLN 34 HG2 GLN 34 0.692 10.815 -4.894 244 HG3 GLN 34 HG1 GLN 34 -0.229 9.653 -5.860 245 HE21 GLN 34 HE21 GLN 34 2.759 11.558 -5.704 246 HE22 GLN 34 HE22 GLN 34 3.643 10.555 -6.819 247 H PHE 35 HN PHE 35 -2.782 11.589 -6.181 248 HA PHE 35 HA PHE 35 -3.406 11.036 -3.365 249 HB2 PHE 35 HB2 PHE 35 -4.947 11.183 -5.918 250 HB3 PHE 35 HB1 PHE 35 -5.563 10.169 -4.620 251 HD1 PHE 35 HD1 PHE 35 -3.935 13.526 -4.594 252 HD2 PHE 35 HD2 PHE 35 -7.396 11.218 -3.709 253 HE1 PHE 35 HE1 PHE 35 -4.986 15.502 -3.575 254 HE2 PHE 35 HE2 PHE 35 -8.453 13.190 -2.683 255 HZ PHE 35 HZ PHE 35 -7.247 15.335 -2.616 256 HA PRO 36 HA PRO 36 -2.373 6.794 -4.503 257 HB2 PRO 36 HB2 PRO 36 0.028 6.578 -3.558 258 HB3 PRO 36 HB1 PRO 36 -0.230 7.700 -4.907 259 HG2 PRO 36 HG2 PRO 36 0.119 8.293 -1.991 260 HG3 PRO 36 HG1 PRO 36 0.687 9.207 -3.402 261 HD2 PRO 36 HD2 PRO 36 -1.733 9.576 -1.902 262 HD3 PRO 36 HD1 PRO 36 -1.172 10.492 -3.325 263 H GLY 37 HN GLY 37 -3.193 8.253 -1.629 264 HA2 GLY 37 HA2 GLY 37 -3.657 7.112 0.459 265 HA3 GLY 37 HA1 GLY 37 -2.365 5.977 0.068 266 H ALA 38 HN ALA 38 -0.892 8.363 -0.966 267 HA ALA 38 HA ALA 38 0.692 9.816 -0.404 268 HB1 ALA 38 HB1 ALA 38 0.055 11.572 1.169 269 HB2 ALA 38 HB2 ALA 38 -1.333 10.600 1.658 270 HB3 ALA 38 HB3 ALA 38 -1.219 11.203 0.007 271 H SER 39 HN SER 39 -0.376 9.509 2.954 272 HA SER 39 HA SER 39 2.403 8.786 3.599 273 HB2 SER 39 HB2 SER 39 0.693 10.843 4.974 274 HB3 SER 39 HB1 SER 39 2.299 10.352 5.496 275 HG SER 39 HG SER 39 1.515 11.935 3.319 276 H GLY 40 HN GLY 40 -0.596 7.756 3.628 277 HA2 GLY 40 HA2 GLY 40 -0.252 6.298 6.151 278 HA3 GLY 40 HA1 GLY 40 -1.777 7.095 5.767 279 H LEU 41 HN LEU 41 -1.954 4.491 6.169 280 HA LEU 41 HA LEU 41 -2.716 3.639 3.551 281 HB2 LEU 41 HB2 LEU 41 -0.260 2.878 4.481 282 HB3 LEU 41 HB1 LEU 41 -1.260 1.543 5.012 283 HG LEU 41 HG LEU 41 -0.200 1.104 2.846 284 HD11 LEU 41 HD11 LEU 41 -2.181 0.409 1.633 285 HD12 LEU 41 HD12 LEU 41 -3.180 1.414 2.685 286 HD13 LEU 41 HD13 LEU 41 -2.304 0.034 3.350 287 HD21 LEU 41 HD21 LEU 41 0.076 2.969 1.616 288 HD22 LEU 41 HD22 LEU 41 -1.378 3.728 2.267 289 HD23 LEU 41 HD23 LEU 41 -1.510 2.529 0.970 290 H ARG 42 HN ARG 42 -4.533 2.431 3.608 291 HA ARG 42 HA ARG 42 -4.923 0.672 5.935 292 HB2 ARG 42 HB2 ARG 42 -7.147 1.858 4.320 293 HB3 ARG 42 HB1 ARG 42 -7.274 0.884 5.785 294 HG2 ARG 42 HG2 ARG 42 -6.279 2.638 7.104 295 HG3 ARG 42 HG1 ARG 42 -6.029 3.595 5.621 296 HD2 ARG 42 HD2 ARG 42 -8.348 3.690 5.184 297 HD3 ARG 42 HD1 ARG 42 -8.718 2.627 6.550 298 HE ARG 42 HE ARG 42 -7.371 4.801 7.617 299 HH11 ARG 42 HH11 ARG 42 -10.373 4.190 5.932 300 HH12 ARG 42 HH12 ARG 42 -11.199 5.554 6.619 301 HH21 ARG 42 HH21 ARG 42 -8.445 6.604 8.532 302 HH22 ARG 42 HH22 ARG 42 -10.096 6.930 8.100 303 H TYR 43 HN TYR 43 -5.543 -1.535 5.146 304 HA TYR 43 HA TYR 43 -6.418 -1.509 2.370 305 HB2 TYR 43 HB2 TYR 43 -4.825 -3.088 1.550 306 HB3 TYR 43 HB1 TYR 43 -3.982 -1.701 2.254 307 HD1 TYR 43 HD1 TYR 43 -2.709 -1.962 4.309 308 HD2 TYR 43 HD2 TYR 43 -4.716 -5.272 2.571 309 HE1 TYR 43 HE1 TYR 43 -1.440 -3.501 5.773 310 HE2 TYR 43 HE2 TYR 43 -3.457 -6.815 4.004 311 HH TYR 43 HH TYR 43 -1.739 -7.012 5.424 312 H ARG 44 HN ARG 44 -6.988 -3.576 1.526 313 HA ARG 44 HA ARG 44 -8.367 -5.167 3.565 314 HB2 ARG 44 HB2 ARG 44 -9.022 -4.788 0.634 315 HB3 ARG 44 HB1 ARG 44 -9.937 -5.775 1.767 316 HG2 ARG 44 HG2 ARG 44 -10.394 -3.736 3.101 317 HG3 ARG 44 HG1 ARG 44 -9.585 -2.786 1.853 318 HD2 ARG 44 HD2 ARG 44 -12.011 -2.747 1.572 319 HD3 ARG 44 HD1 ARG 44 -11.217 -3.533 0.207 320 HE ARG 44 HE ARG 44 -11.890 -5.673 1.178 321 HH11 ARG 44 HH11 ARG 44 -13.570 -2.775 2.253 322 HH12 ARG 44 HH12 ARG 44 -14.969 -3.657 2.802 323 HH21 ARG 44 HH21 ARG 44 -13.707 -6.811 1.927 324 HH22 ARG 44 HH22 ARG 44 -15.053 -5.948 2.608 325 H ASN 45 HN ASN 45 -8.135 -7.334 3.559 326 HA ASN 45 HA ASN 45 -5.895 -8.396 2.012 327 HB2 ASN 45 HB2 ASN 45 -5.196 -7.323 4.172 328 HB3 ASN 45 HB1 ASN 45 -6.231 -8.477 5.018 329 HD21 ASN 45 HD21 ASN 45 -4.246 -8.996 6.148 330 HD22 ASN 45 HD22 ASN 45 -3.134 -10.115 5.446 331 HA PRO 46 HA PRO 46 -8.628 -11.808 1.374 332 HB2 PRO 46 HB2 PRO 46 -6.054 -13.319 1.355 333 HB3 PRO 46 HB1 PRO 46 -7.402 -13.374 0.212 334 HG2 PRO 46 HG2 PRO 46 -5.219 -12.027 -0.405 335 HG3 PRO 46 HG1 PRO 46 -6.815 -11.343 -0.772 336 HD2 PRO 46 HD2 PRO 46 -4.915 -10.654 1.420 337 HD3 PRO 46 HD1 PRO 46 -5.964 -9.589 0.468 338 H VAL 47 HN VAL 47 -6.568 -11.685 4.163 339 HA VAL 47 HA VAL 47 -7.600 -14.240 5.138 340 HB VAL 47 HB VAL 47 -5.291 -14.048 5.485 341 HG11 VAL 47 HG11 VAL 47 -5.578 -11.574 7.114 342 HG12 VAL 47 HG12 VAL 47 -5.234 -11.531 5.387 343 HG13 VAL 47 HG13 VAL 47 -4.099 -12.313 6.492 344 HG21 VAL 47 HG21 VAL 47 -6.324 -15.187 7.260 345 HG22 VAL 47 HG22 VAL 47 -6.839 -13.673 8.006 346 HG23 VAL 47 HG23 VAL 47 -5.126 -14.118 7.996 347 H SER 48 HN SER 48 -6.851 -11.569 7.226 348 HA SER 48 HA SER 48 -9.509 -11.830 8.313 349 HB2 SER 48 HB2 SER 48 -8.539 -10.643 10.269 350 HB3 SER 48 HB1 SER 48 -7.606 -12.081 9.817 351 HG SER 48 HG SER 48 -6.473 -9.939 10.223 352 H GLN 49 HN GLN 49 -7.759 -9.921 6.244 353 HA GLN 49 HA GLN 49 -8.069 -7.996 5.174 354 HB2 GLN 49 HB2 GLN 49 -10.182 -9.439 4.828 355 HB3 GLN 49 HB1 GLN 49 -10.932 -8.162 5.780 356 HG2 GLN 49 HG2 GLN 49 -10.567 -6.586 4.214 357 HG3 GLN 49 HG1 GLN 49 -9.123 -7.374 3.641 358 HE21 GLN 49 HE21 GLN 49 -9.210 -8.824 2.108 359 HE22 GLN 49 HE22 GLN 49 -10.586 -9.094 1.131 360 H SER 50 HN SER 50 -7.823 -7.691 8.121 361 HA SER 50 HA SER 50 -9.212 -5.450 8.995 362 HB2 SER 50 HB2 SER 50 -6.363 -6.064 9.615 363 HB3 SER 50 HB1 SER 50 -7.471 -5.130 10.602 364 HG SER 50 HG SER 50 -7.023 -7.626 10.892 365 H MET 51 HN MET 51 -9.163 -3.343 8.425 366 HA MET 51 HA MET 51 -7.658 -2.466 6.198 367 HB2 MET 51 HB2 MET 51 -8.451 -0.161 6.877 368 HB3 MET 51 HB1 MET 51 -9.718 -1.333 6.587 369 HG2 MET 51 HG2 MET 51 -8.685 -0.665 9.328 370 HG3 MET 51 HG1 MET 51 -10.034 0.173 8.567 371 HE1 MET 51 HE1 MET 51 -11.576 -0.439 10.686 372 HE2 MET 51 HE2 MET 51 -10.166 -1.226 11.400 373 HE3 MET 51 HE3 MET 51 -11.708 -2.077 11.328 374 H ARG 52 HN ARG 52 -5.497 -2.832 6.572 375 HA ARG 52 HA ARG 52 -4.347 -1.629 8.975 376 HB2 ARG 52 HB2 ARG 52 -3.813 -3.944 8.768 377 HB3 ARG 52 HB1 ARG 52 -3.290 -3.738 7.107 378 HG2 ARG 52 HG2 ARG 52 -1.387 -2.482 7.836 379 HG3 ARG 52 HG1 ARG 52 -1.973 -2.507 9.506 380 HD2 ARG 52 HD2 ARG 52 -1.898 -4.950 9.466 381 HD3 ARG 52 HD1 ARG 52 -1.202 -4.883 7.862 382 HE ARG 52 HE ARG 52 0.721 -3.708 8.875 383 HH11 ARG 52 HH11 ARG 52 -1.409 -5.522 10.985 384 HH12 ARG 52 HH12 ARG 52 -0.181 -5.791 12.192 385 HH21 ARG 52 HH21 ARG 52 2.321 -4.045 10.448 386 HH22 ARG 52 HH22 ARG 52 1.947 -4.965 11.874 387 H GLY 53 HN GLY 53 -2.697 -0.329 8.954 388 HA2 GLY 53 HA2 GLY 53 -2.015 1.046 6.504 389 HA3 GLY 53 HA1 GLY 53 -1.616 1.579 8.127 390 H VAL 54 HN VAL 54 0.034 1.594 5.945 391 HA VAL 54 HA VAL 54 1.929 -0.601 6.233 392 HB VAL 54 HB VAL 54 1.485 1.423 4.042 393 HG11 VAL 54 HG11 VAL 54 3.346 0.371 2.824 394 HG12 VAL 54 HG12 VAL 54 3.751 -0.557 4.268 395 HG13 VAL 54 HG13 VAL 54 3.891 1.200 4.282 396 HG21 VAL 54 HG21 VAL 54 1.114 -0.578 2.684 397 HG22 VAL 54 HG22 VAL 54 0.017 -0.523 4.065 398 HG23 VAL 54 HG23 VAL 54 1.418 -1.594 4.094 399 H ARG 55 HN ARG 55 4.100 -0.272 6.645 400 HA ARG 55 HA ARG 55 4.773 1.598 8.574 401 HB2 ARG 55 HB2 ARG 55 5.772 -0.739 7.454 402 HB3 ARG 55 HB1 ARG 55 7.019 0.492 7.227 403 HG2 ARG 55 HG2 ARG 55 5.654 0.138 9.815 404 HG3 ARG 55 HG1 ARG 55 7.055 -0.829 9.368 405 HD2 ARG 55 HD2 ARG 55 8.244 1.291 8.814 406 HD3 ARG 55 HD1 ARG 55 6.876 2.146 9.507 407 HE ARG 55 HE ARG 55 7.811 0.289 11.400 408 HH11 ARG 55 HH11 ARG 55 8.749 3.376 9.991 409 HH12 ARG 55 HH12 ARG 55 9.846 3.753 11.286 410 HH21 ARG 55 HH21 ARG 55 9.217 0.818 13.083 411 HH22 ARG 55 HH22 ARG 55 10.104 2.312 13.039 412 H LEU 56 HN LEU 56 5.746 3.595 8.471 413 HA LEU 56 HA LEU 56 7.087 4.289 5.941 414 HB2 LEU 56 HB2 LEU 56 6.800 6.665 6.638 415 HB3 LEU 56 HB1 LEU 56 5.311 5.831 6.268 416 HG LEU 56 HG LEU 56 5.453 5.488 8.943 417 HD11 LEU 56 HD11 LEU 56 6.670 8.179 8.370 418 HD12 LEU 56 HD12 LEU 56 7.435 6.835 9.217 419 HD13 LEU 56 HD13 LEU 56 6.050 7.657 9.936 420 HD21 LEU 56 HD21 LEU 56 3.800 7.299 9.077 421 HD22 LEU 56 HD22 LEU 56 3.511 6.227 7.707 422 HD23 LEU 56 HD23 LEU 56 4.251 7.807 7.449 423 H VAL 57 HN VAL 57 9.261 4.435 5.993 424 HA VAL 57 HA VAL 57 10.593 5.055 8.563 425 HB VAL 57 HB VAL 57 11.841 3.130 6.639 426 HG11 VAL 57 HG11 VAL 57 12.023 3.391 9.639 427 HG12 VAL 57 HG12 VAL 57 13.143 4.095 8.478 428 HG13 VAL 57 HG13 VAL 57 13.005 2.344 8.615 429 HG21 VAL 57 HG21 VAL 57 10.911 1.207 7.829 430 HG22 VAL 57 HG22 VAL 57 9.641 2.154 7.056 431 HG23 VAL 57 HG23 VAL 57 9.902 2.283 8.795 432 H GLU 58 HN GLU 58 11.871 6.853 8.197 433 HA GLU 58 HA GLU 58 13.372 8.266 7.196 434 HB2 GLU 58 HB2 GLU 58 14.079 5.856 5.513 435 HB3 GLU 58 HB1 GLU 58 15.090 7.265 5.809 436 HG2 GLU 58 HG2 GLU 58 15.339 6.692 8.103 437 HG3 GLU 58 HG1 GLU 58 14.146 5.402 7.955 438 H GLY 59 HN GLY 59 10.727 8.308 6.078 439 HA2 GLY 59 HA2 GLY 59 9.692 9.333 4.269 440 HA3 GLY 59 HA1 GLY 59 11.269 9.504 3.512 441 H ILE 60 HN ILE 60 10.807 6.336 4.446 442 HA ILE 60 HA ILE 60 9.999 5.536 1.745 443 HB ILE 60 HB ILE 60 10.920 3.631 3.819 444 HG12 ILE 60 HG12 ILE 60 12.702 5.171 1.996 445 HG13 ILE 60 HG11 ILE 60 12.589 5.450 3.729 446 HG21 ILE 60 HG21 ILE 60 9.874 3.036 1.593 447 HG22 ILE 60 HG22 ILE 60 11.412 2.297 1.974 448 HG23 ILE 60 HG23 ILE 60 11.355 3.650 0.858 449 HD11 ILE 60 HD11 ILE 60 13.662 3.084 2.269 450 HD12 ILE 60 HD12 ILE 60 13.128 3.035 3.941 451 HD13 ILE 60 HD13 ILE 60 14.450 4.105 3.483 452 H LEU 61 HN LEU 61 8.311 4.075 1.448 453 HA LEU 61 HA LEU 61 6.625 3.544 3.805 454 HB2 LEU 61 HB2 LEU 61 5.728 4.607 1.600 455 HB3 LEU 61 HB1 LEU 61 5.849 2.983 0.953 456 HG LEU 61 HG LEU 61 4.322 2.202 2.756 457 HD11 LEU 61 HD11 LEU 61 4.022 5.153 3.305 458 HD12 LEU 61 HD12 LEU 61 4.748 3.964 4.388 459 HD13 LEU 61 HD13 LEU 61 3.031 3.867 3.995 460 HD21 LEU 61 HD21 LEU 61 2.295 3.174 1.768 461 HD22 LEU 61 HD22 LEU 61 3.463 2.691 0.539 462 HD23 LEU 61 HD23 LEU 61 3.281 4.393 0.964 463 H HIS 62 HN HIS 62 6.951 1.594 4.733 464 HA HIS 62 HA HIS 62 8.259 -0.482 3.106 465 HB2 HIS 62 HB2 HIS 62 8.889 0.574 5.602 466 HB3 HIS 62 HB1 HIS 62 8.165 -0.990 5.965 467 HD1 HIS 62 HD1 HIS 62 9.644 -3.014 5.650 468 HD2 HIS 62 HD2 HIS 62 11.168 0.397 3.828 469 HE1 HIS 62 HE1 HIS 62 11.943 -3.640 4.854 470 HE2 HIS 62 HE2 HIS 62 12.724 -1.642 3.523 471 H ALA 63 HN ALA 63 7.072 -2.105 2.442 472 HA ALA 63 HA ALA 63 4.552 -2.858 3.366 473 HB1 ALA 63 HB1 ALA 63 5.459 -3.372 1.149 474 HB2 ALA 63 HB2 ALA 63 4.925 -4.810 1.996 475 HB3 ALA 63 HB3 ALA 63 6.639 -4.455 1.889 476 HA PRO 64 HA PRO 64 5.195 -5.240 6.973 477 HB2 PRO 64 HB2 PRO 64 3.877 -7.624 5.830 478 HB3 PRO 64 HB1 PRO 64 3.397 -6.621 7.205 479 HG2 PRO 64 HG2 PRO 64 2.039 -6.504 4.927 480 HG3 PRO 64 HG1 PRO 64 2.379 -5.026 5.851 481 HD2 PRO 64 HD2 PRO 64 3.837 -6.139 3.467 482 HD3 PRO 64 HD1 PRO 64 3.230 -4.478 3.729 483 H ASP 65 HN ASP 65 6.044 -7.295 7.891 484 HA ASP 65 HA ASP 65 8.690 -7.524 7.373 485 HB2 ASP 65 HB2 ASP 65 6.664 -9.313 8.595 486 HB3 ASP 65 HB1 ASP 65 8.247 -10.008 8.295 487 H ALA 66 HN ALA 66 6.196 -9.626 6.072 488 HA ALA 66 HA ALA 66 8.205 -10.981 4.407 489 HB1 ALA 66 HB1 ALA 66 6.219 -12.702 4.379 490 HB2 ALA 66 HB2 ALA 66 5.751 -11.805 5.835 491 HB3 ALA 66 HB3 ALA 66 7.322 -12.607 5.757 492 H GLY 67 HN GLY 67 5.218 -9.218 4.454 493 HA2 GLY 67 HA2 GLY 67 3.815 -8.521 2.877 494 HA3 GLY 67 HA1 GLY 67 5.065 -8.830 1.677 495 H TRP 68 HN TRP 68 2.058 -9.274 2.121 496 HA TRP 68 HA TRP 68 1.704 -12.122 2.020 497 HB2 TRP 68 HB2 TRP 68 -0.457 -10.159 1.425 498 HB3 TRP 68 HB1 TRP 68 -0.482 -11.576 2.451 499 HD1 TRP 68 HD1 TRP 68 -0.928 -8.113 2.899 500 HE1 TRP 68 HE1 TRP 68 -0.095 -7.243 5.169 501 HE3 TRP 68 HE3 TRP 68 1.989 -12.043 4.247 502 HZ2 TRP 68 HZ2 TRP 68 1.524 -8.142 7.303 503 HZ3 TRP 68 HZ3 TRP 68 3.145 -11.992 6.428 504 HH2 TRP 68 HH2 TRP 68 2.924 -10.068 7.918 505 H GLY 69 HN GLY 69 1.265 -9.321 0.033 506 HA2 GLY 69 HA2 GLY 69 2.269 -10.464 -2.309 507 HA3 GLY 69 HA1 GLY 69 0.519 -10.552 -2.338 508 H ASN 70 HN ASN 70 -0.675 -8.625 -1.970 509 HA ASN 70 HA ASN 70 0.633 -6.211 -2.922 510 HB2 ASN 70 HB2 ASN 70 -1.445 -6.065 -4.537 511 HB3 ASN 70 HB1 ASN 70 0.068 -6.793 -5.031 512 HD21 ASN 70 HD21 ASN 70 -1.011 -7.969 -6.612 513 HD22 ASN 70 HD22 ASN 70 -2.003 -9.335 -6.239 514 H LEU 71 HN LEU 71 -2.503 -7.674 -2.356 515 HA LEU 71 HA LEU 71 -4.372 -7.003 -1.315 516 HB2 LEU 71 HB2 LEU 71 -2.661 -5.208 0.306 517 HB3 LEU 71 HB1 LEU 71 -4.165 -5.975 0.770 518 HG LEU 71 HG LEU 71 -2.729 -7.270 1.975 519 HD11 LEU 71 HD11 LEU 71 -2.131 -9.366 0.739 520 HD12 LEU 71 HD12 LEU 71 -2.788 -8.585 -0.704 521 HD13 LEU 71 HD13 LEU 71 -3.826 -8.881 0.689 522 HD21 LEU 71 HD21 LEU 71 -0.653 -6.408 1.713 523 HD22 LEU 71 HD22 LEU 71 -0.728 -6.486 -0.046 524 HD23 LEU 71 HD23 LEU 71 -0.432 -7.956 0.892 525 H VAL 72 HN VAL 72 -5.824 -5.336 -1.081 526 HA VAL 72 HA VAL 72 -5.180 -3.228 -3.003 527 HB VAL 72 HB VAL 72 -7.153 -4.331 -3.547 528 HG11 VAL 72 HG11 VAL 72 -8.610 -3.948 -1.025 529 HG12 VAL 72 HG12 VAL 72 -7.165 -4.974 -0.878 530 HG13 VAL 72 HG13 VAL 72 -8.453 -5.395 -2.037 531 HG21 VAL 72 HG21 VAL 72 -8.781 -2.613 -3.499 532 HG22 VAL 72 HG22 VAL 72 -7.201 -1.816 -3.468 533 HG23 VAL 72 HG23 VAL 72 -8.150 -1.956 -1.985 534 H TYR 73 HN TYR 73 -4.150 -1.639 -2.023 535 HA TYR 73 HA TYR 73 -4.672 -0.877 0.654 536 HB2 TYR 73 HB2 TYR 73 -3.114 0.575 -1.482 537 HB3 TYR 73 HB1 TYR 73 -3.045 0.882 0.251 538 HD1 TYR 73 HD1 TYR 73 -0.827 0.040 -1.807 539 HD2 TYR 73 HD2 TYR 73 -3.120 -2.069 1.084 540 HE1 TYR 73 HE1 TYR 73 0.992 -1.591 -1.558 541 HE2 TYR 73 HE2 TYR 73 -1.303 -3.700 1.349 542 HH TYR 73 HH TYR 73 0.629 -4.536 -0.177 543 H VAL 74 HN VAL 74 -5.526 0.860 1.474 544 HA VAL 74 HA VAL 74 -7.530 2.322 -0.091 545 HB VAL 74 HB VAL 74 -7.381 1.157 2.662 546 HG11 VAL 74 HG11 VAL 74 -9.191 3.476 1.934 547 HG12 VAL 74 HG12 VAL 74 -7.905 3.484 3.147 548 HG13 VAL 74 HG13 VAL 74 -9.342 2.484 3.386 549 HG21 VAL 74 HG21 VAL 74 -9.692 0.487 2.111 550 HG22 VAL 74 HG22 VAL 74 -8.486 -0.085 0.963 551 HG23 VAL 74 HG23 VAL 74 -9.517 1.280 0.545 552 H VAL 75 HN VAL 75 -7.962 4.587 0.861 553 HA VAL 75 HA VAL 75 -5.319 5.819 0.916 554 HB VAL 75 HB VAL 75 -7.704 6.475 -0.516 555 HG11 VAL 75 HG11 VAL 75 -7.668 8.943 -0.115 556 HG12 VAL 75 HG12 VAL 75 -6.723 8.620 1.343 557 HG13 VAL 75 HG13 VAL 75 -8.367 7.999 1.203 558 HG21 VAL 75 HG21 VAL 75 -6.146 8.064 -1.602 559 HG22 VAL 75 HG22 VAL 75 -5.548 6.411 -1.492 560 HG23 VAL 75 HG23 VAL 75 -4.941 7.643 -0.384 561 H ASN 76 HN ASN 76 -4.538 6.244 2.807 562 HA ASN 76 HA ASN 76 -6.206 7.873 4.603 563 HB2 ASN 76 HB2 ASN 76 -5.818 5.562 5.492 564 HB3 ASN 76 HB1 ASN 76 -4.097 5.876 5.400 565 HD21 ASN 76 HD21 ASN 76 -4.008 5.373 7.605 566 HD22 ASN 76 HD22 ASN 76 -4.468 6.524 8.804 567 H TYR 77 HN TYR 77 -5.298 9.870 4.710 568 HA TYR 77 HA TYR 77 -2.474 10.038 5.281 569 HB2 TYR 77 HB2 TYR 77 -2.508 12.144 3.747 570 HB3 TYR 77 HB1 TYR 77 -1.990 10.577 3.165 571 HD1 TYR 77 HD1 TYR 77 -3.268 9.388 1.566 572 HD2 TYR 77 HD2 TYR 77 -4.676 13.102 3.073 573 HE1 TYR 77 HE1 TYR 77 -4.911 9.481 -0.251 574 HE2 TYR 77 HE2 TYR 77 -6.329 13.215 1.258 575 HH TYR 77 HH TYR 77 -6.641 12.295 -1.015 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 7.059 -13.836 -8.312 2 H2 MET 1 HT2 MET 1 7.257 -14.886 -9.632 3 H3 MET 1 HT3 MET 1 6.969 -13.236 -9.895 4 HA MET 1 HA MET 1 9.373 -14.395 -8.617 5 HB2 MET 1 HB2 MET 1 9.248 -14.758 -11.065 6 HB3 MET 1 HB1 MET 1 9.030 -13.030 -11.298 7 HG2 MET 1 HG2 MET 1 11.240 -12.616 -10.364 8 HG3 MET 1 HG1 MET 1 11.461 -14.345 -10.104 9 HE1 MET 1 HE1 MET 1 11.543 -15.718 -13.775 10 HE2 MET 1 HE2 MET 1 10.129 -15.579 -12.730 11 HE3 MET 1 HE3 MET 1 11.667 -16.127 -12.063 12 H SER 2 HN SER 2 8.461 -11.413 -10.346 13 HA SER 2 HA SER 2 9.664 -9.845 -8.196 14 HB2 SER 2 HB2 SER 2 8.481 -8.892 -10.818 15 HB3 SER 2 HB1 SER 2 9.489 -7.956 -9.712 16 HG SER 2 HG SER 2 10.194 -9.920 -11.555 17 H GLU 3 HN GLU 3 8.406 -9.201 -6.570 18 HA GLU 3 HA GLU 3 5.583 -9.631 -6.782 19 HB2 GLU 3 HB2 GLU 3 7.126 -10.207 -4.790 20 HB3 GLU 3 HB1 GLU 3 6.959 -8.512 -4.363 21 HG2 GLU 3 HG2 GLU 3 5.407 -10.002 -3.178 22 HG3 GLU 3 HG1 GLU 3 4.590 -8.750 -4.114 23 H TYR 4 HN TYR 4 3.957 -8.111 -6.379 24 HA TYR 4 HA TYR 4 4.720 -5.299 -6.443 25 HB2 TYR 4 HB2 TYR 4 3.280 -4.821 -8.310 26 HB3 TYR 4 HB1 TYR 4 4.366 -6.113 -8.799 27 HD1 TYR 4 HD1 TYR 4 0.959 -5.370 -7.671 28 HD2 TYR 4 HD2 TYR 4 3.494 -8.201 -9.545 29 HE1 TYR 4 HE1 TYR 4 -1.013 -6.653 -8.320 30 HE2 TYR 4 HE2 TYR 4 1.532 -9.536 -10.204 31 HH TYR 4 HH TYR 4 -1.745 -8.361 -9.683 32 H ILE 5 HN ILE 5 2.455 -4.006 -6.231 33 HA ILE 5 HA ILE 5 0.707 -5.505 -4.432 34 HB ILE 5 HB ILE 5 0.750 -4.016 -2.718 35 HG12 ILE 5 HG12 ILE 5 0.578 -1.927 -4.035 36 HG13 ILE 5 HG11 ILE 5 1.720 -1.780 -2.707 37 HG21 ILE 5 HG21 ILE 5 3.086 -3.753 -2.028 38 HG22 ILE 5 HG22 ILE 5 3.586 -4.127 -3.679 39 HG23 ILE 5 HG23 ILE 5 2.749 -5.345 -2.713 40 HD11 ILE 5 HD11 ILE 5 2.515 -0.711 -4.749 41 HD12 ILE 5 HD12 ILE 5 2.437 -2.266 -5.576 42 HD13 ILE 5 HD13 ILE 5 3.569 -2.033 -4.246 43 H ARG 6 HN ARG 6 -1.454 -4.285 -3.962 44 HA ARG 6 HA ARG 6 -2.104 -2.787 -6.428 45 HB2 ARG 6 HB2 ARG 6 -3.048 -5.177 -5.967 46 HB3 ARG 6 HB1 ARG 6 -4.082 -4.366 -4.818 47 HG2 ARG 6 HG2 ARG 6 -4.204 -2.990 -7.307 48 HG3 ARG 6 HG1 ARG 6 -4.495 -4.714 -7.537 49 HD2 ARG 6 HD2 ARG 6 -6.559 -3.451 -7.078 50 HD3 ARG 6 HD1 ARG 6 -6.223 -4.695 -5.870 51 HE ARG 6 HE ARG 6 -5.041 -2.354 -5.035 52 HH11 ARG 6 HH11 ARG 6 -8.250 -3.638 -5.558 53 HH12 ARG 6 HH12 ARG 6 -9.001 -2.605 -4.378 54 HH21 ARG 6 HH21 ARG 6 -6.009 -1.004 -3.448 55 HH22 ARG 6 HH22 ARG 6 -7.711 -1.109 -3.159 56 H VAL 7 HN VAL 7 -3.057 -0.769 -6.147 57 HA VAL 7 HA VAL 7 -4.150 -0.142 -3.484 58 HB VAL 7 HB VAL 7 -1.922 0.682 -3.319 59 HG11 VAL 7 HG11 VAL 7 -2.394 2.032 -5.958 60 HG12 VAL 7 HG12 VAL 7 -1.246 0.738 -5.607 61 HG13 VAL 7 HG13 VAL 7 -1.005 2.343 -4.919 62 HG21 VAL 7 HG21 VAL 7 -2.247 3.093 -3.021 63 HG22 VAL 7 HG22 VAL 7 -3.590 2.156 -2.367 64 HG23 VAL 7 HG23 VAL 7 -3.764 2.980 -3.914 65 H THR 8 HN THR 8 -5.796 1.355 -3.464 66 HA THR 8 HA THR 8 -6.034 3.209 -5.630 67 HB THR 8 HB THR 8 -7.330 1.562 -6.656 68 HG1 THR 8 HG1 THR 8 -8.276 3.624 -6.719 69 HG21 THR 8 HG21 THR 8 -8.708 0.107 -5.674 70 HG22 THR 8 HG22 THR 8 -9.288 1.263 -4.471 71 HG23 THR 8 HG23 THR 8 -7.726 0.473 -4.258 72 H GLU 9 HN GLU 9 -7.786 4.917 -5.100 73 HA GLU 9 HA GLU 9 -7.244 5.712 -2.442 74 HB2 GLU 9 HB2 GLU 9 -8.983 6.892 -4.564 75 HB3 GLU 9 HB1 GLU 9 -8.918 7.557 -2.936 76 HG2 GLU 9 HG2 GLU 9 -7.310 8.819 -3.905 77 HG3 GLU 9 HG1 GLU 9 -6.326 7.470 -3.362 78 H ASP 10 HN ASP 10 -9.953 4.200 -3.950 79 HA ASP 10 HA ASP 10 -10.950 3.628 -1.272 80 HB2 ASP 10 HB2 ASP 10 -12.480 5.319 -2.456 81 HB3 ASP 10 HB1 ASP 10 -12.814 4.019 -3.598 82 H GLU 11 HN GLU 11 -11.966 1.573 -1.220 83 HA GLU 11 HA GLU 11 -10.391 -0.375 -2.454 84 HB2 GLU 11 HB2 GLU 11 -13.161 -1.056 -1.602 85 HB3 GLU 11 HB1 GLU 11 -11.648 -1.865 -1.208 86 HG2 GLU 11 HG2 GLU 11 -11.112 -0.041 0.324 87 HG3 GLU 11 HG1 GLU 11 -12.643 0.726 -0.053 88 H ASN 12 HN ASN 12 -13.419 1.093 -3.173 89 HA ASN 12 HA ASN 12 -13.657 -0.453 -5.655 90 HB2 ASN 12 HB2 ASN 12 -15.492 -0.461 -3.896 91 HB3 ASN 12 HB1 ASN 12 -15.846 1.153 -4.471 92 HD21 ASN 12 HD21 ASN 12 -15.941 -2.219 -5.142 93 HD22 ASN 12 HD22 ASN 12 -16.911 -2.123 -6.570 94 H ASP 13 HN ASP 13 -11.957 2.068 -5.208 95 HA ASP 13 HA ASP 13 -13.268 3.932 -7.026 96 HB2 ASP 13 HB2 ASP 13 -11.473 4.597 -5.240 97 HB3 ASP 13 HB1 ASP 13 -10.321 3.974 -6.391 98 H GLU 14 HN GLU 14 -10.142 3.890 -7.904 99 HA GLU 14 HA GLU 14 -10.472 1.783 -9.946 100 HB2 GLU 14 HB2 GLU 14 -9.239 4.475 -10.191 101 HB3 GLU 14 HB1 GLU 14 -8.764 3.182 -11.269 102 HG2 GLU 14 HG2 GLU 14 -11.562 4.242 -10.928 103 HG3 GLU 14 HG1 GLU 14 -10.465 4.638 -12.250 104 HA PRO 15 HA PRO 15 -6.995 0.525 -7.313 105 HB2 PRO 15 HB2 PRO 15 -7.438 -2.103 -7.502 106 HB3 PRO 15 HB1 PRO 15 -8.347 -1.059 -6.407 107 HG2 PRO 15 HG2 PRO 15 -9.040 -2.074 -9.090 108 HG3 PRO 15 HG1 PRO 15 -10.030 -2.023 -7.620 109 HD2 PRO 15 HD2 PRO 15 -10.271 -0.209 -9.624 110 HD3 PRO 15 HD1 PRO 15 -10.557 0.199 -7.919 111 H ILE 16 HN ILE 16 -4.987 -0.097 -7.846 112 HA ILE 16 HA ILE 16 -4.549 -1.069 -10.572 113 HB ILE 16 HB ILE 16 -2.522 0.417 -10.590 114 HG12 ILE 16 HG12 ILE 16 -3.151 0.760 -7.912 115 HG13 ILE 16 HG11 ILE 16 -1.991 1.701 -8.820 116 HG21 ILE 16 HG21 ILE 16 -3.747 2.400 -11.248 117 HG22 ILE 16 HG22 ILE 16 -5.170 1.795 -10.399 118 HG23 ILE 16 HG23 ILE 16 -4.567 0.943 -11.819 119 HD11 ILE 16 HD11 ILE 16 -3.391 3.221 -7.670 120 HD12 ILE 16 HD12 ILE 16 -4.850 2.396 -8.227 121 HD13 ILE 16 HD13 ILE 16 -3.847 3.297 -9.373 122 H GLU 17 HN GLU 17 -3.454 -2.942 -10.501 123 HA GLU 17 HA GLU 17 -1.717 -3.561 -8.274 124 HB2 GLU 17 HB2 GLU 17 -2.051 -5.070 -10.843 125 HB3 GLU 17 HB1 GLU 17 -1.379 -5.649 -9.320 126 HG2 GLU 17 HG2 GLU 17 -3.640 -5.188 -8.276 127 HG3 GLU 17 HG1 GLU 17 -4.231 -4.927 -9.924 128 H ILE 18 HN ILE 18 0.349 -3.100 -8.184 129 HA ILE 18 HA ILE 18 1.779 -2.231 -10.588 130 HB ILE 18 HB ILE 18 2.493 -0.111 -9.437 131 HG12 ILE 18 HG12 ILE 18 0.104 -0.689 -7.682 132 HG13 ILE 18 HG11 ILE 18 1.785 -0.714 -7.159 133 HG21 ILE 18 HG21 ILE 18 0.468 1.137 -10.046 134 HG22 ILE 18 HG22 ILE 18 -0.377 -0.397 -10.206 135 HG23 ILE 18 HG23 ILE 18 0.970 -0.025 -11.273 136 HD11 ILE 18 HD11 ILE 18 0.317 1.701 -8.199 137 HD12 ILE 18 HD12 ILE 18 1.977 1.663 -7.602 138 HD13 ILE 18 HD13 ILE 18 0.637 1.341 -6.504 139 HA PRO 19 HA PRO 19 5.148 -4.106 -8.460 140 HB2 PRO 19 HB2 PRO 19 7.208 -3.129 -9.896 141 HB3 PRO 19 HB1 PRO 19 6.070 -4.308 -10.558 142 HG2 PRO 19 HG2 PRO 19 6.157 -1.340 -10.935 143 HG3 PRO 19 HG1 PRO 19 5.871 -2.612 -12.138 144 HD2 PRO 19 HD2 PRO 19 3.875 -1.153 -10.997 145 HD3 PRO 19 HD1 PRO 19 3.657 -2.819 -11.568 146 H SER 20 HN SER 20 6.580 -3.733 -6.848 147 HA SER 20 HA SER 20 6.920 -0.960 -5.944 148 HB2 SER 20 HB2 SER 20 7.410 -3.479 -4.373 149 HB3 SER 20 HB1 SER 20 7.248 -1.844 -3.747 150 HG SER 20 HG SER 20 5.340 -3.188 -3.547 151 H GLU 21 HN GLU 21 9.080 -0.560 -4.759 152 HA GLU 21 HA GLU 21 11.268 -1.317 -6.411 153 HB2 GLU 21 HB2 GLU 21 11.315 -0.129 -3.668 154 HB3 GLU 21 HB1 GLU 21 12.669 -0.184 -4.783 155 HG2 GLU 21 HG2 GLU 21 10.097 1.323 -5.164 156 HG3 GLU 21 HG1 GLU 21 11.664 2.020 -4.758 157 H ASP 22 HN ASP 22 12.867 -2.750 -6.070 158 HA ASP 22 HA ASP 22 12.130 -5.272 -5.218 159 HB2 ASP 22 HB2 ASP 22 14.868 -4.104 -5.473 160 HB3 ASP 22 HB1 ASP 22 14.525 -5.825 -5.426 161 H ASP 23 HN ASP 23 13.318 -2.674 -3.356 162 HA ASP 23 HA ASP 23 14.479 -4.256 -1.230 163 HB2 ASP 23 HB2 ASP 23 13.608 -1.372 -1.212 164 HB3 ASP 23 HB1 ASP 23 14.587 -2.175 0.006 165 H GLY 24 HN GLY 24 11.505 -3.746 -2.370 166 HA2 GLY 24 HA2 GLY 24 9.428 -4.405 -1.524 167 HA3 GLY 24 HA1 GLY 24 10.173 -4.698 0.051 168 H THR 25 HN THR 25 10.612 -1.841 -1.790 169 HA THR 25 HA THR 25 9.581 -0.303 0.476 170 HB THR 25 HB THR 25 12.250 -0.687 -0.522 171 HG1 THR 25 HG1 THR 25 12.774 0.369 1.431 172 HG21 THR 25 HG21 THR 25 11.722 1.284 -1.882 173 HG22 THR 25 HG22 THR 25 13.051 1.550 -0.744 174 HG23 THR 25 HG23 THR 25 11.444 2.208 -0.404 175 H VAL 26 HN VAL 26 8.851 1.794 0.035 176 HA VAL 26 HA VAL 26 8.969 2.808 -2.664 177 HB VAL 26 HB VAL 26 6.517 3.568 -2.255 178 HG11 VAL 26 HG11 VAL 26 5.711 1.470 -3.370 179 HG12 VAL 26 HG12 VAL 26 7.323 0.798 -3.099 180 HG13 VAL 26 HG13 VAL 26 7.117 2.211 -4.136 181 HG21 VAL 26 HG21 VAL 26 6.135 2.774 -0.078 182 HG22 VAL 26 HG22 VAL 26 6.819 1.203 -0.477 183 HG23 VAL 26 HG23 VAL 26 5.252 1.671 -1.139 184 H LEU 27 HN LEU 27 9.021 5.075 -2.733 185 HA LEU 27 HA LEU 27 9.878 6.415 -0.362 186 HB2 LEU 27 HB2 LEU 27 8.919 7.587 -2.967 187 HB3 LEU 27 HB1 LEU 27 9.795 8.441 -1.722 188 HG LEU 27 HG LEU 27 11.767 6.966 -2.190 189 HD11 LEU 27 HD11 LEU 27 11.824 5.747 -4.290 190 HD12 LEU 27 HD12 LEU 27 10.140 6.174 -4.606 191 HD13 LEU 27 HD13 LEU 27 10.542 5.101 -3.262 192 HD21 LEU 27 HD21 LEU 27 11.951 9.054 -3.087 193 HD22 LEU 27 HD22 LEU 27 10.475 8.866 -4.051 194 HD23 LEU 27 HD23 LEU 27 11.986 8.078 -4.565 195 H LEU 28 HN LEU 28 8.579 7.074 1.227 196 HA LEU 28 HA LEU 28 5.786 7.067 1.111 197 HB2 LEU 28 HB2 LEU 28 6.801 6.880 3.208 198 HB3 LEU 28 HB1 LEU 28 7.846 8.256 2.918 199 HG LEU 28 HG LEU 28 5.884 9.735 3.097 200 HD11 LEU 28 HD11 LEU 28 4.454 7.244 3.996 201 HD12 LEU 28 HD12 LEU 28 4.134 8.144 2.514 202 HD13 LEU 28 HD13 LEU 28 3.819 8.887 4.083 203 HD21 LEU 28 HD21 LEU 28 5.694 9.591 5.527 204 HD22 LEU 28 HD22 LEU 28 7.361 9.366 4.996 205 HD23 LEU 28 HD23 LEU 28 6.395 7.973 5.484 206 H SER 29 HN SER 29 8.084 9.730 1.002 207 HA SER 29 HA SER 29 6.136 11.777 0.848 208 HB2 SER 29 HB2 SER 29 9.069 11.992 0.135 209 HB3 SER 29 HB1 SER 29 7.999 13.285 0.682 210 HG SER 29 HG SER 29 7.781 12.039 2.673 211 H THR 30 HN THR 30 8.325 10.274 -1.518 212 HA THR 30 HA THR 30 7.484 11.800 -3.708 213 HB THR 30 HB THR 30 8.941 9.260 -3.349 214 HG1 THR 30 HG1 THR 30 9.459 11.910 -4.118 215 HG21 THR 30 HG21 THR 30 7.663 8.829 -5.252 216 HG22 THR 30 HG22 THR 30 9.289 9.196 -5.800 217 HG23 THR 30 HG23 THR 30 7.999 10.394 -5.963 218 H VAL 31 HN VAL 31 6.292 8.859 -2.213 219 HA VAL 31 HA VAL 31 4.249 8.288 -4.023 220 HB VAL 31 HB VAL 31 4.721 7.714 -1.147 221 HG11 VAL 31 HG11 VAL 31 2.014 7.316 -2.421 222 HG12 VAL 31 HG12 VAL 31 2.380 8.401 -1.080 223 HG13 VAL 31 HG13 VAL 31 2.531 6.656 -0.871 224 HG21 VAL 31 HG21 VAL 31 4.637 5.480 -1.870 225 HG22 VAL 31 HG22 VAL 31 5.431 6.358 -3.183 226 HG23 VAL 31 HG23 VAL 31 3.737 5.901 -3.326 227 H THR 32 HN THR 32 4.264 10.522 -1.225 228 HA THR 32 HA THR 32 1.548 11.196 -1.506 229 HB THR 32 HB THR 32 1.729 12.349 0.372 230 HG1 THR 32 HG1 THR 32 2.437 14.326 0.013 231 HG21 THR 32 HG21 THR 32 3.728 10.584 0.374 232 HG22 THR 32 HG22 THR 32 3.364 11.641 1.746 233 HG23 THR 32 HG23 THR 32 4.654 12.070 0.621 234 H ALA 33 HN ALA 33 4.252 12.274 -3.298 235 HA ALA 33 HA ALA 33 3.429 14.703 -4.331 236 HB1 ALA 33 HB1 ALA 33 4.680 12.614 -6.026 237 HB2 ALA 33 HB2 ALA 33 5.537 13.424 -4.729 238 HB3 ALA 33 HB3 ALA 33 4.911 14.365 -6.073 239 H GLN 34 HN GLN 34 1.051 13.291 -4.059 240 HA GLN 34 HA GLN 34 -0.439 13.730 -6.333 241 HB2 GLN 34 HB2 GLN 34 -0.756 11.380 -7.093 242 HB3 GLN 34 HB1 GLN 34 0.847 12.042 -7.453 243 HG2 GLN 34 HG2 GLN 34 1.070 10.853 -4.976 244 HG3 GLN 34 HG1 GLN 34 0.109 9.717 -5.936 245 HE21 GLN 34 HE21 GLN 34 3.190 11.447 -5.716 246 HE22 GLN 34 HE22 GLN 34 4.040 10.416 -6.831 247 H PHE 35 HN PHE 35 -2.359 11.867 -6.250 248 HA PHE 35 HA PHE 35 -2.890 11.360 -3.409 249 HB2 PHE 35 HB2 PHE 35 -4.537 11.733 -5.867 250 HB3 PHE 35 HB1 PHE 35 -5.204 10.789 -4.535 251 HD1 PHE 35 HD1 PHE 35 -3.340 14.000 -4.952 252 HD2 PHE 35 HD2 PHE 35 -6.595 11.956 -3.132 253 HE1 PHE 35 HE1 PHE 35 -4.020 16.081 -3.835 254 HE2 PHE 35 HE2 PHE 35 -7.277 14.033 -2.008 255 HZ PHE 35 HZ PHE 35 -5.987 16.100 -2.358 256 HA PRO 36 HA PRO 36 -2.372 7.045 -4.629 257 HB2 PRO 36 HB2 PRO 36 0.016 6.563 -3.751 258 HB3 PRO 36 HB1 PRO 36 -0.153 7.728 -5.078 259 HG2 PRO 36 HG2 PRO 36 0.316 8.239 -2.163 260 HG3 PRO 36 HG1 PRO 36 0.956 9.104 -3.574 261 HD2 PRO 36 HD2 PRO 36 -1.380 9.714 -2.025 262 HD3 PRO 36 HD1 PRO 36 -0.756 10.580 -3.451 263 H GLY 37 HN GLY 37 -3.154 8.518 -1.827 264 HA2 GLY 37 HA2 GLY 37 -3.684 7.432 0.278 265 HA3 GLY 37 HA1 GLY 37 -2.376 6.295 -0.043 266 H ALA 38 HN ALA 38 -0.623 8.332 -1.019 267 HA ALA 38 HA ALA 38 0.822 9.976 -0.520 268 HB1 ALA 38 HB1 ALA 38 -0.020 11.796 0.975 269 HB2 ALA 38 HB2 ALA 38 -1.478 10.824 1.170 270 HB3 ALA 38 HB3 ALA 38 -1.023 11.411 -0.425 271 H SER 39 HN SER 39 -0.610 9.607 2.755 272 HA SER 39 HA SER 39 2.169 9.474 3.704 273 HB2 SER 39 HB2 SER 39 1.342 11.732 3.994 274 HB3 SER 39 HB1 SER 39 -0.120 11.123 4.756 275 HG SER 39 HG SER 39 2.522 10.850 5.783 276 H GLY 40 HN GLY 40 -0.911 8.195 3.637 277 HA2 GLY 40 HA2 GLY 40 -0.274 6.449 5.915 278 HA3 GLY 40 HA1 GLY 40 -1.839 7.231 5.773 279 H LEU 41 HN LEU 41 -1.291 4.407 5.866 280 HA LEU 41 HA LEU 41 -2.633 3.832 3.338 281 HB2 LEU 41 HB2 LEU 41 -0.234 2.636 4.359 282 HB3 LEU 41 HB1 LEU 41 -1.504 1.428 4.323 283 HG LEU 41 HG LEU 41 -0.258 1.323 2.277 284 HD11 LEU 41 HD11 LEU 41 -2.050 1.639 0.654 285 HD12 LEU 41 HD12 LEU 41 -2.952 2.588 1.835 286 HD13 LEU 41 HD13 LEU 41 -2.636 0.878 2.134 287 HD21 LEU 41 HD21 LEU 41 0.672 3.531 2.175 288 HD22 LEU 41 HD22 LEU 41 -0.937 4.245 2.039 289 HD23 LEU 41 HD23 LEU 41 -0.286 3.277 0.712 290 H ARG 42 HN ARG 42 -4.331 2.406 3.378 291 HA ARG 42 HA ARG 42 -4.786 0.850 5.827 292 HB2 ARG 42 HB2 ARG 42 -6.978 2.058 4.165 293 HB3 ARG 42 HB1 ARG 42 -7.151 1.123 5.650 294 HG2 ARG 42 HG2 ARG 42 -5.979 2.871 6.897 295 HG3 ARG 42 HG1 ARG 42 -5.865 3.819 5.387 296 HD2 ARG 42 HD2 ARG 42 -8.259 3.803 5.167 297 HD3 ARG 42 HD1 ARG 42 -8.426 2.897 6.678 298 HE ARG 42 HE ARG 42 -6.983 5.163 7.320 299 HH11 ARG 42 HH11 ARG 42 -10.169 4.479 6.020 300 HH12 ARG 42 HH12 ARG 42 -10.878 5.926 6.656 301 HH21 ARG 42 HH21 ARG 42 -7.911 7.073 8.144 302 HH22 ARG 42 HH22 ARG 42 -9.591 7.422 7.840 303 H TYR 43 HN TYR 43 -5.302 -1.386 5.232 304 HA TYR 43 HA TYR 43 -6.465 -1.634 2.585 305 HB2 TYR 43 HB2 TYR 43 -4.879 -3.260 1.786 306 HB3 TYR 43 HB1 TYR 43 -4.119 -1.710 2.158 307 HD1 TYR 43 HD1 TYR 43 -2.447 -1.529 3.804 308 HD2 TYR 43 HD2 TYR 43 -4.482 -5.214 3.260 309 HE1 TYR 43 HE1 TYR 43 -0.779 -2.647 5.193 310 HE2 TYR 43 HE2 TYR 43 -2.803 -6.354 4.644 311 HH TYR 43 HH TYR 43 -0.601 -6.096 5.422 312 H ARG 44 HN ARG 44 -7.028 -3.820 1.984 313 HA ARG 44 HA ARG 44 -8.062 -5.302 4.293 314 HB2 ARG 44 HB2 ARG 44 -9.661 -4.422 2.518 315 HB3 ARG 44 HB1 ARG 44 -8.924 -5.566 1.405 316 HG2 ARG 44 HG2 ARG 44 -9.641 -7.416 2.774 317 HG3 ARG 44 HG1 ARG 44 -10.287 -6.303 3.982 318 HD2 ARG 44 HD2 ARG 44 -11.912 -5.475 2.386 319 HD3 ARG 44 HD1 ARG 44 -11.234 -6.504 1.125 320 HE ARG 44 HE ARG 44 -11.949 -8.165 3.237 321 HH11 ARG 44 HH11 ARG 44 -13.584 -5.965 1.048 322 HH12 ARG 44 HH12 ARG 44 -15.038 -6.917 0.988 323 HH21 ARG 44 HH21 ARG 44 -13.878 -9.387 3.174 324 HH22 ARG 44 HH22 ARG 44 -15.212 -8.843 2.204 325 H ASN 45 HN ASN 45 -7.661 -7.562 4.412 326 HA ASN 45 HA ASN 45 -5.229 -8.375 3.005 327 HB2 ASN 45 HB2 ASN 45 -4.552 -6.896 4.828 328 HB3 ASN 45 HB1 ASN 45 -5.519 -7.855 5.958 329 HD21 ASN 45 HD21 ASN 45 -3.454 -9.164 3.409 330 HD22 ASN 45 HD22 ASN 45 -2.306 -9.902 4.469 331 HA PRO 46 HA PRO 46 -7.325 -12.310 2.691 332 HB2 PRO 46 HB2 PRO 46 -4.496 -13.027 3.371 333 HB3 PRO 46 HB1 PRO 46 -5.586 -13.767 2.192 334 HG2 PRO 46 HG2 PRO 46 -3.729 -11.839 1.572 335 HG3 PRO 46 HG1 PRO 46 -5.195 -12.149 0.629 336 HD2 PRO 46 HD2 PRO 46 -4.537 -9.793 2.114 337 HD3 PRO 46 HD1 PRO 46 -6.043 -10.139 1.243 338 H VAL 47 HN VAL 47 -5.357 -11.676 5.637 339 HA VAL 47 HA VAL 47 -6.387 -14.082 6.885 340 HB VAL 47 HB VAL 47 -4.181 -13.664 7.473 341 HG11 VAL 47 HG11 VAL 47 -4.162 -11.212 8.876 342 HG12 VAL 47 HG12 VAL 47 -4.791 -10.941 7.250 343 HG13 VAL 47 HG13 VAL 47 -3.209 -11.690 7.469 344 HG21 VAL 47 HG21 VAL 47 -5.268 -14.508 9.343 345 HG22 VAL 47 HG22 VAL 47 -6.062 -12.966 9.664 346 HG23 VAL 47 HG23 VAL 47 -4.328 -13.148 9.964 347 H SER 48 HN SER 48 -6.130 -10.947 8.421 348 HA SER 48 HA SER 48 -8.846 -11.367 9.353 349 HB2 SER 48 HB2 SER 48 -8.235 -9.824 11.184 350 HB3 SER 48 HB1 SER 48 -7.105 -11.180 11.053 351 HG SER 48 HG SER 48 -6.624 -8.517 10.827 352 H GLN 49 HN GLN 49 -7.131 -9.638 7.121 353 HA GLN 49 HA GLN 49 -7.428 -7.816 5.836 354 HB2 GLN 49 HB2 GLN 49 -10.283 -8.326 6.405 355 HB3 GLN 49 HB1 GLN 49 -9.604 -7.560 4.989 356 HG2 GLN 49 HG2 GLN 49 -8.270 -9.818 4.883 357 HG3 GLN 49 HG1 GLN 49 -9.676 -10.385 5.723 358 HE21 GLN 49 HE21 GLN 49 -8.340 -9.305 2.859 359 HE22 GLN 49 HE22 GLN 49 -9.694 -9.557 1.837 360 H SER 50 HN SER 50 -7.407 -7.365 8.773 361 HA SER 50 HA SER 50 -8.857 -5.125 9.494 362 HB2 SER 50 HB2 SER 50 -5.990 -5.501 10.195 363 HB3 SER 50 HB1 SER 50 -7.256 -4.787 11.180 364 HG SER 50 HG SER 50 -8.251 -6.902 11.202 365 H MET 51 HN MET 51 -8.783 -2.977 8.967 366 HA MET 51 HA MET 51 -7.429 -2.185 6.613 367 HB2 MET 51 HB2 MET 51 -8.145 0.137 7.217 368 HB3 MET 51 HB1 MET 51 -9.455 -1.025 7.164 369 HG2 MET 51 HG2 MET 51 -9.403 -1.178 9.609 370 HG3 MET 51 HG1 MET 51 -8.098 0.005 9.646 371 HE1 MET 51 HE1 MET 51 -9.322 1.629 11.253 372 HE2 MET 51 HE2 MET 51 -10.629 0.452 11.396 373 HE3 MET 51 HE3 MET 51 -10.998 2.144 11.058 374 H ARG 52 HN ARG 52 -5.280 -2.568 6.815 375 HA ARG 52 HA ARG 52 -3.860 -1.311 9.037 376 HB2 ARG 52 HB2 ARG 52 -3.438 -3.636 8.899 377 HB3 ARG 52 HB1 ARG 52 -3.155 -3.561 7.176 378 HG2 ARG 52 HG2 ARG 52 -1.074 -2.441 7.522 379 HG3 ARG 52 HG1 ARG 52 -1.403 -2.294 9.261 380 HD2 ARG 52 HD2 ARG 52 -1.097 -4.526 9.665 381 HD3 ARG 52 HD1 ARG 52 -1.570 -4.979 8.046 382 HE ARG 52 HE ARG 52 0.804 -3.737 7.682 383 HH11 ARG 52 HH11 ARG 52 -0.279 -6.246 9.856 384 HH12 ARG 52 HH12 ARG 52 1.241 -7.102 9.853 385 HH21 ARG 52 HH21 ARG 52 2.829 -4.858 7.672 386 HH22 ARG 52 HH22 ARG 52 3.016 -6.297 8.633 387 H GLY 53 HN GLY 53 -2.253 0.000 8.762 388 HA2 GLY 53 HA2 GLY 53 -1.788 1.093 6.119 389 HA3 GLY 53 HA1 GLY 53 -1.362 1.877 7.633 390 H VAL 54 HN VAL 54 0.358 1.963 5.726 391 HA VAL 54 HA VAL 54 2.221 -0.272 5.871 392 HB VAL 54 HB VAL 54 1.955 2.011 3.918 393 HG11 VAL 54 HG11 VAL 54 3.850 1.058 2.699 394 HG12 VAL 54 HG12 VAL 54 4.108 -0.106 3.998 395 HG13 VAL 54 HG13 VAL 54 4.340 1.615 4.299 396 HG21 VAL 54 HG21 VAL 54 1.595 0.191 2.314 397 HG22 VAL 54 HG22 VAL 54 0.412 0.153 3.622 398 HG23 VAL 54 HG23 VAL 54 1.759 -0.984 3.618 399 H ARG 55 HN ARG 55 4.337 -0.053 6.501 400 HA ARG 55 HA ARG 55 4.786 1.729 8.629 401 HB2 ARG 55 HB2 ARG 55 6.464 -0.240 7.221 402 HB3 ARG 55 HB1 ARG 55 7.111 0.746 8.533 403 HG2 ARG 55 HG2 ARG 55 6.420 -1.145 9.611 404 HG3 ARG 55 HG1 ARG 55 5.013 -0.107 9.782 405 HD2 ARG 55 HD2 ARG 55 3.896 -1.145 8.020 406 HD3 ARG 55 HD1 ARG 55 5.340 -1.978 7.488 407 HE ARG 55 HE ARG 55 5.064 -3.548 9.205 408 HH11 ARG 55 HH11 ARG 55 2.562 -1.085 9.317 409 HH12 ARG 55 HH12 ARG 55 1.589 -1.936 10.481 410 HH21 ARG 55 HH21 ARG 55 3.802 -4.654 10.758 411 HH22 ARG 55 HH22 ARG 55 2.323 -3.951 11.332 412 H LEU 56 HN LEU 56 5.872 3.659 8.706 413 HA LEU 56 HA LEU 56 7.413 4.302 6.310 414 HB2 LEU 56 HB2 LEU 56 7.292 6.687 6.923 415 HB3 LEU 56 HB1 LEU 56 5.780 5.977 6.463 416 HG LEU 56 HG LEU 56 5.409 7.592 8.175 417 HD11 LEU 56 HD11 LEU 56 4.171 6.379 9.761 418 HD12 LEU 56 HD12 LEU 56 5.170 4.953 9.536 419 HD13 LEU 56 HD13 LEU 56 4.099 5.480 8.243 420 HD21 LEU 56 HD21 LEU 56 7.404 6.104 9.857 421 HD22 LEU 56 HD22 LEU 56 6.357 7.401 10.429 422 HD23 LEU 56 HD23 LEU 56 7.572 7.729 9.193 423 H VAL 57 HN VAL 57 9.494 4.229 6.388 424 HA VAL 57 HA VAL 57 10.854 4.639 8.972 425 HB VAL 57 HB VAL 57 11.698 2.622 6.882 426 HG11 VAL 57 HG11 VAL 57 13.073 1.818 8.909 427 HG12 VAL 57 HG12 VAL 57 12.731 3.418 9.583 428 HG13 VAL 57 HG13 VAL 57 13.596 3.268 8.054 429 HG21 VAL 57 HG21 VAL 57 10.970 0.879 8.474 430 HG22 VAL 57 HG22 VAL 57 9.619 1.856 7.902 431 HG23 VAL 57 HG23 VAL 57 10.283 2.125 9.513 432 H GLU 58 HN GLU 58 12.111 6.369 8.758 433 HA GLU 58 HA GLU 58 13.442 8.000 7.870 434 HB2 GLU 58 HB2 GLU 58 14.537 5.877 6.040 435 HB3 GLU 58 HB1 GLU 58 15.370 7.270 6.716 436 HG2 GLU 58 HG2 GLU 58 15.056 6.226 8.973 437 HG3 GLU 58 HG1 GLU 58 14.498 4.778 8.136 438 H GLY 59 HN GLY 59 10.862 7.726 6.623 439 HA2 GLY 59 HA2 GLY 59 9.901 9.009 4.912 440 HA3 GLY 59 HA1 GLY 59 11.469 9.109 4.129 441 H ILE 60 HN ILE 60 10.979 5.920 4.910 442 HA ILE 60 HA ILE 60 10.025 5.305 2.204 443 HB ILE 60 HB ILE 60 10.886 3.220 4.126 444 HG12 ILE 60 HG12 ILE 60 12.707 4.781 2.363 445 HG13 ILE 60 HG11 ILE 60 12.630 4.980 4.108 446 HG21 ILE 60 HG21 ILE 60 9.774 2.844 1.865 447 HG22 ILE 60 HG22 ILE 60 11.267 1.985 2.175 448 HG23 ILE 60 HG23 ILE 60 11.285 3.419 1.159 449 HD11 ILE 60 HD11 ILE 60 13.599 2.661 2.514 450 HD12 ILE 60 HD12 ILE 60 13.050 2.514 4.175 451 HD13 ILE 60 HD13 ILE 60 14.415 3.559 3.804 452 H LEU 61 HN LEU 61 8.256 3.983 1.832 453 HA LEU 61 HA LEU 61 6.619 3.255 4.169 454 HB2 LEU 61 HB2 LEU 61 5.971 3.461 1.229 455 HB3 LEU 61 HB1 LEU 61 4.915 2.635 2.356 456 HG LEU 61 HG LEU 61 5.681 5.551 2.507 457 HD11 LEU 61 HD11 LEU 61 4.202 5.009 0.611 458 HD12 LEU 61 HD12 LEU 61 3.399 5.993 1.834 459 HD13 LEU 61 HD13 LEU 61 3.066 4.264 1.735 460 HD21 LEU 61 HD21 LEU 61 3.970 5.669 4.250 461 HD22 LEU 61 HD22 LEU 61 5.270 4.568 4.704 462 HD23 LEU 61 HD23 LEU 61 3.729 3.925 4.134 463 H HIS 62 HN HIS 62 6.817 1.160 4.883 464 HA HIS 62 HA HIS 62 8.000 -0.715 2.948 465 HB2 HIS 62 HB2 HIS 62 9.106 0.149 5.350 466 HB3 HIS 62 HB1 HIS 62 8.466 -1.452 5.710 467 HD1 HIS 62 HD1 HIS 62 11.557 -0.326 5.166 468 HD2 HIS 62 HD2 HIS 62 9.275 -2.975 2.926 469 HE1 HIS 62 HE1 HIS 62 13.202 -1.642 3.803 470 HE2 HIS 62 HE2 HIS 62 11.791 -3.129 2.341 471 H ALA 63 HN ALA 63 6.793 -2.365 2.439 472 HA ALA 63 HA ALA 63 4.823 -3.491 4.242 473 HB1 ALA 63 HB1 ALA 63 5.910 -4.286 1.540 474 HB2 ALA 63 HB2 ALA 63 4.271 -3.780 1.962 475 HB3 ALA 63 HB3 ALA 63 4.863 -5.357 2.473 476 HA PRO 64 HA PRO 64 7.586 -5.931 6.513 477 HB2 PRO 64 HB2 PRO 64 6.085 -8.427 6.198 478 HB3 PRO 64 HB1 PRO 64 6.282 -7.420 7.636 479 HG2 PRO 64 HG2 PRO 64 3.930 -7.600 6.356 480 HG3 PRO 64 HG1 PRO 64 4.470 -6.082 7.103 481 HD2 PRO 64 HD2 PRO 64 4.639 -6.943 4.231 482 HD3 PRO 64 HD1 PRO 64 4.054 -5.392 4.899 483 H ASP 65 HN ASP 65 9.331 -7.346 6.386 484 HA ASP 65 HA ASP 65 10.624 -7.502 3.990 485 HB2 ASP 65 HB2 ASP 65 10.844 -8.960 6.571 486 HB3 ASP 65 HB1 ASP 65 11.810 -9.545 5.224 487 H ALA 66 HN ALA 66 8.770 -10.007 5.566 488 HA ALA 66 HA ALA 66 8.645 -11.510 3.037 489 HB1 ALA 66 HB1 ALA 66 8.562 -13.521 4.666 490 HB2 ALA 66 HB2 ALA 66 9.262 -12.375 5.819 491 HB3 ALA 66 HB3 ALA 66 10.122 -12.764 4.329 492 H GLY 67 HN GLY 67 6.878 -9.531 4.403 493 HA2 GLY 67 HA2 GLY 67 4.735 -11.036 5.585 494 HA3 GLY 67 HA1 GLY 67 4.728 -9.310 5.234 495 H TRP 68 HN TRP 68 3.269 -8.705 3.738 496 HA TRP 68 HA TRP 68 2.144 -10.783 2.050 497 HB2 TRP 68 HB2 TRP 68 0.813 -8.198 2.035 498 HB3 TRP 68 HB1 TRP 68 0.186 -9.782 2.453 499 HD1 TRP 68 HD1 TRP 68 0.986 -6.520 3.972 500 HE1 TRP 68 HE1 TRP 68 0.846 -6.656 6.543 501 HE3 TRP 68 HE3 TRP 68 0.851 -11.595 4.497 502 HZ2 TRP 68 HZ2 TRP 68 0.691 -8.662 8.521 503 HZ3 TRP 68 HZ3 TRP 68 0.705 -12.550 6.764 504 HH2 TRP 68 HH2 TRP 68 0.633 -11.109 8.735 505 H GLY 69 HN GLY 69 1.105 -9.392 0.015 506 HA2 GLY 69 HA2 GLY 69 2.727 -7.390 -1.028 507 HA3 GLY 69 HA1 GLY 69 3.260 -8.936 -1.687 508 H ASN 70 HN ASN 70 0.633 -6.745 -1.319 509 HA ASN 70 HA ASN 70 -0.454 -5.771 -3.104 510 HB2 ASN 70 HB2 ASN 70 0.449 -6.630 -4.972 511 HB3 ASN 70 HB1 ASN 70 0.302 -8.276 -4.426 512 HD21 ASN 70 HD21 ASN 70 -0.397 -8.940 -6.253 513 HD22 ASN 70 HD22 ASN 70 -1.896 -8.496 -6.973 514 H LEU 71 HN LEU 71 -1.337 -6.002 -1.103 515 HA LEU 71 HA LEU 71 -3.877 -7.366 -0.975 516 HB2 LEU 71 HB2 LEU 71 -2.898 -5.002 0.618 517 HB3 LEU 71 HB1 LEU 71 -4.155 -6.143 1.073 518 HG LEU 71 HG LEU 71 -2.312 -6.687 2.426 519 HD11 LEU 71 HD11 LEU 71 -1.559 -8.896 1.675 520 HD12 LEU 71 HD12 LEU 71 -2.268 -8.567 0.093 521 HD13 LEU 71 HD13 LEU 71 -3.299 -8.666 1.520 522 HD21 LEU 71 HD21 LEU 71 -0.046 -6.910 1.731 523 HD22 LEU 71 HD22 LEU 71 -0.673 -5.346 1.200 524 HD23 LEU 71 HD23 LEU 71 -0.505 -6.668 0.044 525 H VAL 72 HN VAL 72 -5.624 -5.654 -0.381 526 HA VAL 72 HA VAL 72 -5.725 -3.788 -2.645 527 HB VAL 72 HB VAL 72 -7.586 -5.119 -2.716 528 HG11 VAL 72 HG11 VAL 72 -8.399 -4.979 0.106 529 HG12 VAL 72 HG12 VAL 72 -6.853 -5.799 -0.190 530 HG13 VAL 72 HG13 VAL 72 -8.336 -6.363 -0.996 531 HG21 VAL 72 HG21 VAL 72 -9.435 -3.752 -2.243 532 HG22 VAL 72 HG22 VAL 72 -8.071 -2.646 -2.479 533 HG23 VAL 72 HG23 VAL 72 -8.638 -3.017 -0.847 534 H TYR 73 HN TYR 73 -4.640 -2.024 -2.017 535 HA TYR 73 HA TYR 73 -4.889 -1.023 0.642 536 HB2 TYR 73 HB2 TYR 73 -3.494 0.175 -1.738 537 HB3 TYR 73 HB1 TYR 73 -3.331 0.697 -0.064 538 HD1 TYR 73 HD1 TYR 73 -1.251 -0.408 -2.146 539 HD2 TYR 73 HD2 TYR 73 -3.281 -2.090 1.167 540 HE1 TYR 73 HE1 TYR 73 0.590 -1.974 -1.820 541 HE2 TYR 73 HE2 TYR 73 -1.431 -3.662 1.515 542 HH TYR 73 HH TYR 73 0.410 -4.596 0.457 543 H VAL 74 HN VAL 74 -5.775 0.637 1.414 544 HA VAL 74 HA VAL 74 -7.596 2.326 -0.137 545 HB VAL 74 HB VAL 74 -7.509 1.182 2.635 546 HG11 VAL 74 HG11 VAL 74 -9.051 3.688 1.912 547 HG12 VAL 74 HG12 VAL 74 -7.715 3.578 3.065 548 HG13 VAL 74 HG13 VAL 74 -9.248 2.760 3.402 549 HG21 VAL 74 HG21 VAL 74 -9.872 0.753 2.166 550 HG22 VAL 74 HG22 VAL 74 -8.797 0.085 0.940 551 HG23 VAL 74 HG23 VAL 74 -9.701 1.561 0.607 552 H VAL 75 HN VAL 75 -7.608 4.669 0.936 553 HA VAL 75 HA VAL 75 -4.755 5.331 1.282 554 HB VAL 75 HB VAL 75 -5.034 7.311 -0.087 555 HG11 VAL 75 HG11 VAL 75 -5.457 6.231 -2.271 556 HG12 VAL 75 HG12 VAL 75 -6.018 4.801 -1.404 557 HG13 VAL 75 HG13 VAL 75 -4.347 5.335 -1.233 558 HG21 VAL 75 HG21 VAL 75 -7.867 6.424 -0.557 559 HG22 VAL 75 HG22 VAL 75 -7.054 7.808 -1.288 560 HG23 VAL 75 HG23 VAL 75 -7.373 7.790 0.444 561 H ASN 76 HN ASN 76 -4.303 6.452 3.091 562 HA ASN 76 HA ASN 76 -6.343 8.411 3.885 563 HB2 ASN 76 HB2 ASN 76 -6.203 7.943 6.144 564 HB3 ASN 76 HB1 ASN 76 -6.070 6.349 5.460 565 HD21 ASN 76 HD21 ASN 76 -4.393 5.148 5.999 566 HD22 ASN 76 HD22 ASN 76 -3.055 5.688 6.937 567 H TYR 77 HN TYR 77 -5.642 10.423 3.869 568 HA TYR 77 HA TYR 77 -2.869 10.994 4.594 569 HB2 TYR 77 HB2 TYR 77 -3.209 12.852 2.727 570 HB3 TYR 77 HB1 TYR 77 -2.393 11.328 2.434 571 HD1 TYR 77 HD1 TYR 77 -3.275 9.743 0.985 572 HD2 TYR 77 HD2 TYR 77 -5.624 13.131 1.984 573 HE1 TYR 77 HE1 TYR 77 -4.835 9.159 -0.800 574 HE2 TYR 77 HE2 TYR 77 -7.219 12.558 0.197 575 HH TYR 77 HH TYR 77 -7.216 9.550 -1.374 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 7.431 -13.483 -8.065 2 H2 MET 1 HT2 MET 1 7.191 -14.961 -8.864 3 H3 MET 1 HT3 MET 1 6.085 -13.695 -9.074 4 HA MET 1 HA MET 1 8.891 -13.802 -10.014 5 HB2 MET 1 HB2 MET 1 6.256 -13.554 -11.487 6 HB3 MET 1 HB1 MET 1 7.841 -13.482 -12.240 7 HG2 MET 1 HG2 MET 1 8.276 -15.780 -11.568 8 HG3 MET 1 HG1 MET 1 6.693 -15.857 -10.791 9 HE1 MET 1 HE1 MET 1 7.632 -18.000 -12.899 10 HE2 MET 1 HE2 MET 1 6.206 -18.153 -13.928 11 HE3 MET 1 HE3 MET 1 6.024 -18.027 -12.176 12 H SER 2 HN SER 2 9.462 -11.922 -8.822 13 HA SER 2 HA SER 2 9.722 -9.699 -8.436 14 HB2 SER 2 HB2 SER 2 8.344 -9.329 -11.114 15 HB3 SER 2 HB1 SER 2 9.345 -8.142 -10.277 16 HG SER 2 HG SER 2 11.002 -9.962 -10.409 17 H GLU 3 HN GLU 3 8.420 -9.400 -6.675 18 HA GLU 3 HA GLU 3 5.605 -9.751 -6.906 19 HB2 GLU 3 HB2 GLU 3 7.228 -8.899 -4.534 20 HB3 GLU 3 HB1 GLU 3 5.606 -9.575 -4.491 21 HG2 GLU 3 HG2 GLU 3 8.194 -10.926 -5.161 22 HG3 GLU 3 HG1 GLU 3 7.111 -11.270 -3.819 23 H TYR 4 HN TYR 4 4.002 -8.232 -6.636 24 HA TYR 4 HA TYR 4 4.820 -5.437 -6.425 25 HB2 TYR 4 HB2 TYR 4 3.409 -4.835 -8.300 26 HB3 TYR 4 HB1 TYR 4 4.532 -6.082 -8.829 27 HD1 TYR 4 HD1 TYR 4 1.082 -5.377 -7.895 28 HD2 TYR 4 HD2 TYR 4 3.725 -8.234 -9.572 29 HE1 TYR 4 HE1 TYR 4 -0.842 -6.676 -8.638 30 HE2 TYR 4 HE2 TYR 4 1.805 -9.578 -10.329 31 HH TYR 4 HH TYR 4 -1.382 -8.402 -10.358 32 H ILE 5 HN ILE 5 2.604 -4.113 -6.268 33 HA ILE 5 HA ILE 5 0.993 -5.496 -4.236 34 HB ILE 5 HB ILE 5 1.052 -3.602 -2.798 35 HG12 ILE 5 HG12 ILE 5 2.825 -2.339 -4.915 36 HG13 ILE 5 HG11 ILE 5 1.232 -1.787 -4.409 37 HG21 ILE 5 HG21 ILE 5 2.788 -5.214 -2.424 38 HG22 ILE 5 HG22 ILE 5 3.462 -3.606 -2.153 39 HG23 ILE 5 HG23 ILE 5 3.810 -4.466 -3.652 40 HD11 ILE 5 HD11 ILE 5 3.011 -0.380 -3.523 41 HD12 ILE 5 HD12 ILE 5 3.713 -1.776 -2.702 42 HD13 ILE 5 HD13 ILE 5 2.120 -1.184 -2.232 43 H ARG 6 HN ARG 6 -1.066 -4.170 -3.671 44 HA ARG 6 HA ARG 6 -2.062 -3.028 -6.204 45 HB2 ARG 6 HB2 ARG 6 -3.075 -5.138 -4.507 46 HB3 ARG 6 HB1 ARG 6 -4.195 -3.783 -4.462 47 HG2 ARG 6 HG2 ARG 6 -3.238 -4.776 -7.092 48 HG3 ARG 6 HG1 ARG 6 -4.533 -5.609 -6.220 49 HD2 ARG 6 HD2 ARG 6 -5.261 -3.013 -5.945 50 HD3 ARG 6 HD1 ARG 6 -4.544 -3.007 -7.552 51 HE ARG 6 HE ARG 6 -6.897 -4.437 -6.662 52 HH11 ARG 6 HH11 ARG 6 -4.716 -3.733 -9.287 53 HH12 ARG 6 HH12 ARG 6 -5.772 -4.341 -10.513 54 HH21 ARG 6 HH21 ARG 6 -8.310 -5.251 -8.270 55 HH22 ARG 6 HH22 ARG 6 -7.824 -5.212 -9.935 56 H VAL 7 HN VAL 7 -2.890 -0.901 -6.056 57 HA VAL 7 HA VAL 7 -3.380 0.139 -3.340 58 HB VAL 7 HB VAL 7 -2.086 1.897 -5.388 59 HG11 VAL 7 HG11 VAL 7 -2.023 1.880 -2.378 60 HG12 VAL 7 HG12 VAL 7 -3.001 2.932 -3.404 61 HG13 VAL 7 HG13 VAL 7 -1.242 3.073 -3.419 62 HG21 VAL 7 HG21 VAL 7 -0.547 0.087 -5.375 63 HG22 VAL 7 HG22 VAL 7 -0.606 -0.035 -3.621 64 HG23 VAL 7 HG23 VAL 7 0.143 1.368 -4.379 65 H THR 8 HN THR 8 -5.176 1.473 -3.211 66 HA THR 8 HA THR 8 -5.702 3.184 -5.454 67 HB THR 8 HB THR 8 -7.124 1.447 -6.125 68 HG1 THR 8 HG1 THR 8 -8.113 3.392 -6.402 69 HG21 THR 8 HG21 THR 8 -8.433 0.172 -4.848 70 HG22 THR 8 HG22 THR 8 -8.769 1.443 -3.665 71 HG23 THR 8 HG23 THR 8 -7.225 0.582 -3.628 72 H GLU 9 HN GLU 9 -7.300 4.937 -4.841 73 HA GLU 9 HA GLU 9 -6.800 5.798 -2.177 74 HB2 GLU 9 HB2 GLU 9 -8.651 6.852 -4.295 75 HB3 GLU 9 HB1 GLU 9 -8.470 7.582 -2.704 76 HG2 GLU 9 HG2 GLU 9 -6.964 8.826 -3.851 77 HG3 GLU 9 HG1 GLU 9 -5.921 7.513 -3.339 78 H ASP 10 HN ASP 10 -9.649 4.624 -3.878 79 HA ASP 10 HA ASP 10 -10.869 4.179 -1.249 80 HB2 ASP 10 HB2 ASP 10 -12.046 5.869 -2.788 81 HB3 ASP 10 HB1 ASP 10 -12.413 4.481 -3.808 82 H GLU 11 HN GLU 11 -11.983 2.304 -1.039 83 HA GLU 11 HA GLU 11 -10.665 0.026 -2.006 84 HB2 GLU 11 HB2 GLU 11 -13.481 -0.152 -1.042 85 HB3 GLU 11 HB1 GLU 11 -12.098 -1.150 -0.615 86 HG2 GLU 11 HG2 GLU 11 -11.227 0.830 0.648 87 HG3 GLU 11 HG1 GLU 11 -12.787 1.591 0.381 88 H ASN 12 HN ASN 12 -13.358 1.888 -2.996 89 HA ASN 12 HA ASN 12 -13.777 0.142 -5.321 90 HB2 ASN 12 HB2 ASN 12 -15.651 0.449 -3.605 91 HB3 ASN 12 HB1 ASN 12 -15.838 2.024 -4.341 92 HD21 ASN 12 HD21 ASN 12 -17.697 -0.163 -4.231 93 HD22 ASN 12 HD22 ASN 12 -18.051 -0.595 -5.867 94 H ASP 13 HN ASP 13 -11.834 2.489 -4.949 95 HA ASP 13 HA ASP 13 -12.885 4.334 -6.953 96 HB2 ASP 13 HB2 ASP 13 -11.024 4.846 -5.112 97 HB3 ASP 13 HB1 ASP 13 -9.959 4.161 -6.310 98 H GLU 14 HN GLU 14 -9.768 3.906 -7.689 99 HA GLU 14 HA GLU 14 -10.213 1.592 -9.457 100 HB2 GLU 14 HB2 GLU 14 -8.429 3.935 -9.956 101 HB3 GLU 14 HB1 GLU 14 -8.507 2.513 -10.970 102 HG2 GLU 14 HG2 GLU 14 -10.991 3.087 -11.229 103 HG3 GLU 14 HG1 GLU 14 -10.549 4.670 -10.586 104 HA PRO 15 HA PRO 15 -6.801 0.291 -6.710 105 HB2 PRO 15 HB2 PRO 15 -7.490 -2.312 -6.641 106 HB3 PRO 15 HB1 PRO 15 -8.186 -1.110 -5.547 107 HG2 PRO 15 HG2 PRO 15 -9.234 -2.226 -8.070 108 HG3 PRO 15 HG1 PRO 15 -10.067 -1.980 -6.523 109 HD2 PRO 15 HD2 PRO 15 -10.353 -0.290 -8.624 110 HD3 PRO 15 HD1 PRO 15 -10.395 0.275 -6.940 111 H ILE 16 HN ILE 16 -4.925 -0.482 -7.478 112 HA ILE 16 HA ILE 16 -4.882 -1.422 -10.246 113 HB ILE 16 HB ILE 16 -2.930 0.131 -10.593 114 HG12 ILE 16 HG12 ILE 16 -3.312 0.573 -7.849 115 HG13 ILE 16 HG11 ILE 16 -2.193 1.402 -8.907 116 HG21 ILE 16 HG21 ILE 16 -4.336 2.037 -11.126 117 HG22 ILE 16 HG22 ILE 16 -5.604 1.370 -10.104 118 HG23 ILE 16 HG23 ILE 16 -5.122 0.519 -11.568 119 HD11 ILE 16 HD11 ILE 16 -3.448 3.048 -7.744 120 HD12 ILE 16 HD12 ILE 16 -4.972 2.257 -8.157 121 HD13 ILE 16 HD13 ILE 16 -4.013 3.049 -9.418 122 H GLU 17 HN GLU 17 -3.210 -2.797 -10.764 123 HA GLU 17 HA GLU 17 -1.585 -3.738 -8.534 124 HB2 GLU 17 HB2 GLU 17 -1.953 -4.743 -11.341 125 HB3 GLU 17 HB1 GLU 17 -0.845 -5.451 -10.169 126 HG2 GLU 17 HG2 GLU 17 -2.531 -6.302 -8.871 127 HG3 GLU 17 HG1 GLU 17 -3.714 -5.105 -9.410 128 H ILE 18 HN ILE 18 0.440 -3.162 -8.237 129 HA ILE 18 HA ILE 18 1.883 -1.749 -10.363 130 HB ILE 18 HB ILE 18 0.563 -0.025 -9.214 131 HG12 ILE 18 HG12 ILE 18 2.503 1.439 -8.437 132 HG13 ILE 18 HG11 ILE 18 3.539 0.059 -8.783 133 HG21 ILE 18 HG21 ILE 18 0.999 0.564 -6.890 134 HG22 ILE 18 HG22 ILE 18 2.009 -0.867 -6.746 135 HG23 ILE 18 HG23 ILE 18 0.288 -1.041 -7.065 136 HD11 ILE 18 HD11 ILE 18 1.772 1.470 -10.768 137 HD12 ILE 18 HD12 ILE 18 2.828 0.097 -11.107 138 HD13 ILE 18 HD13 ILE 18 3.523 1.645 -10.622 139 HA PRO 19 HA PRO 19 5.242 -3.939 -8.369 140 HB2 PRO 19 HB2 PRO 19 7.257 -2.899 -9.857 141 HB3 PRO 19 HB1 PRO 19 6.170 -4.157 -10.454 142 HG2 PRO 19 HG2 PRO 19 6.106 -1.208 -10.953 143 HG3 PRO 19 HG1 PRO 19 5.843 -2.543 -12.090 144 HD2 PRO 19 HD2 PRO 19 3.808 -1.132 -10.981 145 HD3 PRO 19 HD1 PRO 19 3.660 -2.843 -11.428 146 H SER 20 HN SER 20 6.468 -3.502 -6.644 147 HA SER 20 HA SER 20 6.987 -0.692 -5.965 148 HB2 SER 20 HB2 SER 20 7.327 -1.674 -3.632 149 HB3 SER 20 HB1 SER 20 5.682 -1.730 -4.267 150 HG SER 20 HG SER 20 7.572 -3.841 -4.141 151 H GLU 21 HN GLU 21 9.070 -0.427 -4.580 152 HA GLU 21 HA GLU 21 11.285 -1.267 -6.127 153 HB2 GLU 21 HB2 GLU 21 11.112 -0.016 -3.420 154 HB3 GLU 21 HB1 GLU 21 12.634 -0.397 -4.182 155 HG2 GLU 21 HG2 GLU 21 12.131 1.940 -4.478 156 HG3 GLU 21 HG1 GLU 21 12.118 1.110 -6.028 157 H ASP 22 HN ASP 22 12.791 -2.752 -5.816 158 HA ASP 22 HA ASP 22 12.074 -5.272 -4.922 159 HB2 ASP 22 HB2 ASP 22 14.869 -4.212 -5.066 160 HB3 ASP 22 HB1 ASP 22 14.375 -5.888 -5.248 161 H ASP 23 HN ASP 23 13.263 -2.610 -3.128 162 HA ASP 23 HA ASP 23 14.471 -4.144 -0.990 163 HB2 ASP 23 HB2 ASP 23 13.711 -1.251 -1.224 164 HB3 ASP 23 HB1 ASP 23 14.326 -1.970 0.255 165 H GLY 24 HN GLY 24 11.502 -3.895 -2.094 166 HA2 GLY 24 HA2 GLY 24 9.473 -4.551 -1.214 167 HA3 GLY 24 HA1 GLY 24 10.261 -4.837 0.339 168 H THR 25 HN THR 25 10.542 -1.884 -1.414 169 HA THR 25 HA THR 25 9.055 -0.487 0.675 170 HB THR 25 HB THR 25 11.821 -0.817 0.609 171 HG1 THR 25 HG1 THR 25 11.080 1.407 1.983 172 HG21 THR 25 HG21 THR 25 11.796 0.856 -1.265 173 HG22 THR 25 HG22 THR 25 12.844 1.237 0.098 174 HG23 THR 25 HG23 THR 25 11.290 2.056 -0.081 175 H VAL 26 HN VAL 26 8.742 1.834 0.082 176 HA VAL 26 HA VAL 26 9.115 2.500 -2.700 177 HB VAL 26 HB VAL 26 6.685 3.487 -2.516 178 HG11 VAL 26 HG11 VAL 26 5.833 1.460 -3.643 179 HG12 VAL 26 HG12 VAL 26 7.272 0.590 -3.105 180 HG13 VAL 26 HG13 VAL 26 7.424 1.929 -4.245 181 HG21 VAL 26 HG21 VAL 26 6.154 2.831 -0.314 182 HG22 VAL 26 HG22 VAL 26 6.712 1.189 -0.622 183 HG23 VAL 26 HG23 VAL 26 5.231 1.770 -1.384 184 H LEU 27 HN LEU 27 9.231 4.717 -3.088 185 HA LEU 27 HA LEU 27 9.992 6.439 -0.960 186 HB2 LEU 27 HB2 LEU 27 9.341 8.125 -3.040 187 HB3 LEU 27 HB1 LEU 27 10.905 7.335 -2.825 188 HG LEU 27 HG LEU 27 9.933 5.442 -4.253 189 HD11 LEU 27 HD11 LEU 27 8.160 6.508 -5.854 190 HD12 LEU 27 HD12 LEU 27 7.804 7.515 -4.432 191 HD13 LEU 27 HD13 LEU 27 7.665 5.754 -4.335 192 HD21 LEU 27 HD21 LEU 27 10.470 8.191 -5.353 193 HD22 LEU 27 HD22 LEU 27 10.318 6.751 -6.357 194 HD23 LEU 27 HD23 LEU 27 11.611 6.858 -5.162 195 H LEU 28 HN LEU 28 8.475 6.802 0.599 196 HA LEU 28 HA LEU 28 5.716 6.595 0.069 197 HB2 LEU 28 HB2 LEU 28 5.812 6.201 2.262 198 HB3 LEU 28 HB1 LEU 28 7.492 6.695 2.254 199 HG LEU 28 HG LEU 28 6.623 9.063 2.514 200 HD11 LEU 28 HD11 LEU 28 4.454 9.283 3.628 201 HD12 LEU 28 HD12 LEU 28 4.169 7.555 3.416 202 HD13 LEU 28 HD13 LEU 28 4.273 8.610 2.006 203 HD21 LEU 28 HD21 LEU 28 6.498 8.831 4.943 204 HD22 LEU 28 HD22 LEU 28 7.788 7.837 4.265 205 HD23 LEU 28 HD23 LEU 28 6.270 7.091 4.764 206 H SER 29 HN SER 29 7.829 9.318 0.822 207 HA SER 29 HA SER 29 5.848 11.313 0.715 208 HB2 SER 29 HB2 SER 29 7.931 12.811 0.379 209 HB3 SER 29 HB1 SER 29 7.819 11.880 1.872 210 HG SER 29 HG SER 29 9.891 11.788 0.721 211 H THR 30 HN THR 30 7.920 9.814 -1.668 212 HA THR 30 HA THR 30 7.380 11.722 -3.716 213 HB THR 30 HB THR 30 8.739 9.089 -3.607 214 HG1 THR 30 HG1 THR 30 9.570 11.722 -4.335 215 HG21 THR 30 HG21 THR 30 7.588 9.006 -5.602 216 HG22 THR 30 HG22 THR 30 9.252 9.397 -6.015 217 HG23 THR 30 HG23 THR 30 8.003 10.650 -6.052 218 H VAL 31 HN VAL 31 6.128 8.647 -2.673 219 HA VAL 31 HA VAL 31 4.134 8.347 -4.620 220 HB VAL 31 HB VAL 31 4.318 7.396 -1.777 221 HG11 VAL 31 HG11 VAL 31 1.947 7.619 -2.303 222 HG12 VAL 31 HG12 VAL 31 2.425 5.924 -2.205 223 HG13 VAL 31 HG13 VAL 31 2.194 6.684 -3.779 224 HG21 VAL 31 HG21 VAL 31 5.879 6.348 -3.212 225 HG22 VAL 31 HG22 VAL 31 4.630 6.087 -4.414 226 HG23 VAL 31 HG23 VAL 31 4.572 5.203 -2.901 227 H THR 32 HN THR 32 4.201 10.207 -1.583 228 HA THR 32 HA THR 32 1.447 10.825 -1.598 229 HB THR 32 HB THR 32 1.767 12.256 0.171 230 HG1 THR 32 HG1 THR 32 4.406 12.781 -0.804 231 HG21 THR 32 HG21 THR 32 3.592 10.074 0.072 232 HG22 THR 32 HG22 THR 32 2.594 10.645 1.408 233 HG23 THR 32 HG23 THR 32 4.188 11.353 1.125 234 H ALA 33 HN ALA 33 4.055 12.126 -3.413 235 HA ALA 33 HA ALA 33 3.111 14.604 -4.195 236 HB1 ALA 33 HB1 ALA 33 4.413 12.761 -6.111 237 HB2 ALA 33 HB2 ALA 33 5.261 13.433 -4.732 238 HB3 ALA 33 HB3 ALA 33 4.599 14.511 -5.952 239 H GLN 34 HN GLN 34 0.761 13.191 -4.033 240 HA GLN 34 HA GLN 34 -0.692 13.734 -6.325 241 HB2 GLN 34 HB2 GLN 34 -0.988 11.405 -7.188 242 HB3 GLN 34 HB1 GLN 34 0.606 12.105 -7.498 243 HG2 GLN 34 HG2 GLN 34 0.830 10.809 -5.077 244 HG3 GLN 34 HG1 GLN 34 -0.126 9.710 -6.085 245 HE21 GLN 34 HE21 GLN 34 2.949 11.440 -5.793 246 HE22 GLN 34 HE22 GLN 34 3.802 10.467 -6.952 247 H PHE 35 HN PHE 35 -2.579 11.816 -6.409 248 HA PHE 35 HA PHE 35 -3.313 11.254 -3.619 249 HB2 PHE 35 HB2 PHE 35 -4.768 11.478 -6.227 250 HB3 PHE 35 HB1 PHE 35 -5.480 10.547 -4.917 251 HD1 PHE 35 HD1 PHE 35 -3.587 13.752 -4.787 252 HD2 PHE 35 HD2 PHE 35 -7.319 11.784 -4.240 253 HE1 PHE 35 HE1 PHE 35 -4.539 15.826 -3.867 254 HE2 PHE 35 HE2 PHE 35 -8.277 13.852 -3.315 255 HZ PHE 35 HZ PHE 35 -6.888 15.876 -3.129 256 HA PRO 36 HA PRO 36 -2.585 6.983 -4.833 257 HB2 PRO 36 HB2 PRO 36 -0.226 6.521 -3.868 258 HB3 PRO 36 HB1 PRO 36 -0.367 7.686 -5.197 259 HG2 PRO 36 HG2 PRO 36 0.017 8.188 -2.274 260 HG3 PRO 36 HG1 PRO 36 0.668 9.078 -3.662 261 HD2 PRO 36 HD2 PRO 36 -1.721 9.625 -2.160 262 HD3 PRO 36 HD1 PRO 36 -1.071 10.524 -3.554 263 H GLY 37 HN GLY 37 -3.380 8.431 -1.973 264 HA2 GLY 37 HA2 GLY 37 -3.944 7.315 0.102 265 HA3 GLY 37 HA1 GLY 37 -2.710 6.110 -0.267 266 H ALA 38 HN ALA 38 -0.943 8.203 -1.234 267 HA ALA 38 HA ALA 38 0.716 9.568 -0.680 268 HB1 ALA 38 HB1 ALA 38 0.231 11.434 0.786 269 HB2 ALA 38 HB2 ALA 38 -1.236 10.628 1.330 270 HB3 ALA 38 HB3 ALA 38 -1.083 11.131 -0.349 271 H SER 39 HN SER 39 -0.486 9.287 2.695 272 HA SER 39 HA SER 39 2.307 8.611 3.329 273 HB2 SER 39 HB2 SER 39 1.981 11.049 3.509 274 HB3 SER 39 HB1 SER 39 0.690 10.767 4.667 275 HG SER 39 HG SER 39 2.187 9.873 6.087 276 H GLY 40 HN GLY 40 -0.963 8.131 3.840 277 HA2 GLY 40 HA2 GLY 40 -0.416 6.520 6.241 278 HA3 GLY 40 HA1 GLY 40 -1.976 7.235 5.817 279 H LEU 41 HN LEU 41 -1.388 4.402 6.251 280 HA LEU 41 HA LEU 41 -2.454 3.649 3.662 281 HB2 LEU 41 HB2 LEU 41 0.013 2.829 4.643 282 HB3 LEU 41 HB1 LEU 41 -1.037 1.449 4.905 283 HG LEU 41 HG LEU 41 0.032 1.223 2.754 284 HD11 LEU 41 HD11 LEU 41 -1.887 1.062 1.297 285 HD12 LEU 41 HD12 LEU 41 -2.824 2.067 2.403 286 HD13 LEU 41 HD13 LEU 41 -2.271 0.471 2.914 287 HD21 LEU 41 HD21 LEU 41 0.679 3.397 2.178 288 HD22 LEU 41 HD22 LEU 41 -0.956 4.033 2.399 289 HD23 LEU 41 HD23 LEU 41 -0.579 3.010 0.999 290 H ARG 42 HN ARG 42 -4.266 2.519 3.693 291 HA ARG 42 HA ARG 42 -4.693 0.669 5.938 292 HB2 ARG 42 HB2 ARG 42 -6.857 2.033 4.369 293 HB3 ARG 42 HB1 ARG 42 -7.054 0.968 5.761 294 HG2 ARG 42 HG2 ARG 42 -6.001 2.556 7.214 295 HG3 ARG 42 HG1 ARG 42 -5.634 3.611 5.823 296 HD2 ARG 42 HD2 ARG 42 -7.980 3.846 5.349 297 HD3 ARG 42 HD1 ARG 42 -8.399 2.823 6.731 298 HE ARG 42 HE ARG 42 -7.106 4.679 8.018 299 HH11 ARG 42 HH11 ARG 42 -9.200 5.184 5.251 300 HH12 ARG 42 HH12 ARG 42 -9.679 6.779 5.738 301 HH21 ARG 42 HH21 ARG 42 -7.732 6.780 8.673 302 HH22 ARG 42 HH22 ARG 42 -8.848 7.689 7.690 303 H TYR 43 HN TYR 43 -5.481 -1.460 5.121 304 HA TYR 43 HA TYR 43 -6.248 -1.432 2.318 305 HB2 TYR 43 HB2 TYR 43 -4.703 -3.149 1.626 306 HB3 TYR 43 HB1 TYR 43 -3.852 -1.723 2.239 307 HD1 TYR 43 HD1 TYR 43 -2.533 -1.855 4.239 308 HD2 TYR 43 HD2 TYR 43 -4.724 -5.238 2.916 309 HE1 TYR 43 HE1 TYR 43 -1.314 -3.269 5.840 310 HE2 TYR 43 HE2 TYR 43 -3.502 -6.668 4.495 311 HH TYR 43 HH TYR 43 -1.342 -6.650 5.695 312 H ARG 44 HN ARG 44 -6.948 -3.461 1.487 313 HA ARG 44 HA ARG 44 -8.427 -5.012 3.482 314 HB2 ARG 44 HB2 ARG 44 -8.694 -4.812 0.480 315 HB3 ARG 44 HB1 ARG 44 -9.589 -5.959 1.457 316 HG2 ARG 44 HG2 ARG 44 -10.666 -4.108 2.638 317 HG3 ARG 44 HG1 ARG 44 -9.774 -2.962 1.630 318 HD2 ARG 44 HD2 ARG 44 -10.832 -3.803 -0.357 319 HD3 ARG 44 HD1 ARG 44 -11.605 -5.097 0.553 320 HE ARG 44 HE ARG 44 -12.360 -2.559 1.574 321 HH11 ARG 44 HH11 ARG 44 -12.879 -4.710 -1.151 322 HH12 ARG 44 HH12 ARG 44 -14.499 -4.141 -1.451 323 HH21 ARG 44 HH21 ARG 44 -14.492 -1.831 1.188 324 HH22 ARG 44 HH22 ARG 44 -15.416 -2.514 -0.114 325 H ASN 45 HN ASN 45 -8.083 -7.081 3.793 326 HA ASN 45 HA ASN 45 -5.807 -8.349 2.474 327 HB2 ASN 45 HB2 ASN 45 -5.101 -7.286 4.561 328 HB3 ASN 45 HB1 ASN 45 -6.405 -8.082 5.427 329 HD21 ASN 45 HD21 ASN 45 -4.353 -9.674 3.048 330 HD22 ASN 45 HD22 ASN 45 -3.554 -10.703 4.180 331 HA PRO 46 HA PRO 46 -8.768 -11.501 1.639 332 HB2 PRO 46 HB2 PRO 46 -6.334 -13.219 1.625 333 HB3 PRO 46 HB1 PRO 46 -7.636 -13.095 0.435 334 HG2 PRO 46 HG2 PRO 46 -5.325 -11.917 -0.040 335 HG3 PRO 46 HG1 PRO 46 -6.840 -11.073 -0.412 336 HD2 PRO 46 HD2 PRO 46 -4.974 -10.690 1.888 337 HD3 PRO 46 HD1 PRO 46 -5.856 -9.474 0.945 338 H VAL 47 HN VAL 47 -6.761 -11.738 4.487 339 HA VAL 47 HA VAL 47 -8.043 -14.225 5.273 340 HB VAL 47 HB VAL 47 -5.852 -14.377 5.795 341 HG11 VAL 47 HG11 VAL 47 -4.592 -12.610 7.107 342 HG12 VAL 47 HG12 VAL 47 -5.900 -11.533 6.619 343 HG13 VAL 47 HG13 VAL 47 -4.911 -12.324 5.400 344 HG21 VAL 47 HG21 VAL 47 -6.978 -15.155 7.683 345 HG22 VAL 47 HG22 VAL 47 -7.287 -13.508 8.240 346 HG23 VAL 47 HG23 VAL 47 -5.647 -14.170 8.306 347 H SER 48 HN SER 48 -7.251 -11.733 7.550 348 HA SER 48 HA SER 48 -10.008 -11.825 8.386 349 HB2 SER 48 HB2 SER 48 -7.432 -11.374 9.719 350 HB3 SER 48 HB1 SER 48 -8.852 -10.628 10.459 351 HG SER 48 HG SER 48 -9.409 -13.172 9.782 352 H GLN 49 HN GLN 49 -8.049 -9.996 6.569 353 HA GLN 49 HA GLN 49 -8.140 -7.982 5.623 354 HB2 GLN 49 HB2 GLN 49 -10.472 -9.117 5.275 355 HB3 GLN 49 HB1 GLN 49 -10.962 -7.704 6.214 356 HG2 GLN 49 HG2 GLN 49 -10.353 -6.245 4.623 357 HG3 GLN 49 HG1 GLN 49 -9.018 -7.240 4.107 358 HE21 GLN 49 HE21 GLN 49 -9.269 -8.692 2.589 359 HE22 GLN 49 HE22 GLN 49 -10.628 -8.759 1.561 360 H SER 50 HN SER 50 -7.352 -7.640 8.148 361 HA SER 50 HA SER 50 -8.467 -5.447 9.470 362 HB2 SER 50 HB2 SER 50 -5.531 -5.725 9.202 363 HB3 SER 50 HB1 SER 50 -6.469 -5.273 10.615 364 HG SER 50 HG SER 50 -5.500 -7.641 10.085 365 H MET 51 HN MET 51 -8.875 -3.458 8.619 366 HA MET 51 HA MET 51 -7.647 -2.513 6.243 367 HB2 MET 51 HB2 MET 51 -9.022 -0.881 8.331 368 HB3 MET 51 HB1 MET 51 -8.696 -0.386 6.690 369 HG2 MET 51 HG2 MET 51 -10.190 -2.137 5.871 370 HG3 MET 51 HG1 MET 51 -10.537 -2.610 7.534 371 HE1 MET 51 HE1 MET 51 -10.669 0.197 9.012 372 HE2 MET 51 HE2 MET 51 -11.852 -1.085 9.262 373 HE3 MET 51 HE3 MET 51 -12.393 0.555 8.902 374 H ARG 52 HN ARG 52 -5.426 -2.816 6.646 375 HA ARG 52 HA ARG 52 -4.362 -1.468 9.032 376 HB2 ARG 52 HB2 ARG 52 -4.040 -3.878 8.965 377 HB3 ARG 52 HB1 ARG 52 -3.253 -3.762 7.420 378 HG2 ARG 52 HG2 ARG 52 -1.589 -2.218 8.676 379 HG3 ARG 52 HG1 ARG 52 -2.230 -3.053 10.106 380 HD2 ARG 52 HD2 ARG 52 -1.869 -5.185 8.675 381 HD3 ARG 52 HD1 ARG 52 -0.769 -4.170 7.757 382 HE ARG 52 HE ARG 52 0.079 -3.804 10.294 383 HH11 ARG 52 HH11 ARG 52 -0.604 -6.659 8.386 384 HH12 ARG 52 HH12 ARG 52 0.610 -7.636 9.159 385 HH21 ARG 52 HH21 ARG 52 1.676 -5.085 11.333 386 HH22 ARG 52 HH22 ARG 52 1.916 -6.733 10.824 387 H GLY 53 HN GLY 53 -2.386 -0.474 8.923 388 HA2 GLY 53 HA2 GLY 53 -1.810 0.808 6.404 389 HA3 GLY 53 HA1 GLY 53 -1.300 1.377 7.980 390 H VAL 54 HN VAL 54 0.228 1.284 5.766 391 HA VAL 54 HA VAL 54 2.126 -0.904 6.044 392 HB VAL 54 HB VAL 54 1.821 1.220 3.899 393 HG11 VAL 54 HG11 VAL 54 3.567 -0.020 2.674 394 HG12 VAL 54 HG12 VAL 54 3.809 -1.056 4.079 395 HG13 VAL 54 HG13 VAL 54 4.187 0.663 4.177 396 HG21 VAL 54 HG21 VAL 54 1.161 -0.627 2.476 397 HG22 VAL 54 HG22 VAL 54 0.132 -0.578 3.909 398 HG23 VAL 54 HG23 VAL 54 1.424 -1.773 3.790 399 H ARG 55 HN ARG 55 4.390 -0.465 6.436 400 HA ARG 55 HA ARG 55 4.722 1.422 8.515 401 HB2 ARG 55 HB2 ARG 55 6.930 0.116 7.018 402 HB3 ARG 55 HB1 ARG 55 6.960 0.735 8.647 403 HG2 ARG 55 HG2 ARG 55 5.704 -1.055 9.464 404 HG3 ARG 55 HG1 ARG 55 5.251 -1.570 7.827 405 HD2 ARG 55 HD2 ARG 55 7.556 -1.973 7.296 406 HD3 ARG 55 HD1 ARG 55 8.040 -1.432 8.891 407 HE ARG 55 HE ARG 55 6.228 -3.608 9.098 408 HH11 ARG 55 HH11 ARG 55 9.565 -2.804 8.387 409 HH12 ARG 55 HH12 ARG 55 10.162 -4.401 8.752 410 HH21 ARG 55 HH21 ARG 55 7.019 -5.687 9.626 411 HH22 ARG 55 HH22 ARG 55 8.715 -6.028 9.467 412 H LEU 56 HN LEU 56 5.445 3.503 8.476 413 HA LEU 56 HA LEU 56 6.841 4.361 6.027 414 HB2 LEU 56 HB2 LEU 56 6.236 6.682 6.727 415 HB3 LEU 56 HB1 LEU 56 4.889 5.679 6.240 416 HG LEU 56 HG LEU 56 5.183 5.426 9.044 417 HD11 LEU 56 HD11 LEU 56 5.186 8.277 8.083 418 HD12 LEU 56 HD12 LEU 56 6.422 7.489 9.064 419 HD13 LEU 56 HD13 LEU 56 4.812 7.762 9.729 420 HD21 LEU 56 HD21 LEU 56 2.929 6.353 9.055 421 HD22 LEU 56 HD22 LEU 56 3.118 5.158 7.771 422 HD23 LEU 56 HD23 LEU 56 3.132 6.879 7.384 423 H VAL 57 HN VAL 57 8.976 4.511 6.246 424 HA VAL 57 HA VAL 57 10.073 5.227 8.896 425 HB VAL 57 HB VAL 57 11.430 3.298 7.020 426 HG11 VAL 57 HG11 VAL 57 11.692 3.626 10.002 427 HG12 VAL 57 HG12 VAL 57 12.688 4.476 8.828 428 HG13 VAL 57 HG13 VAL 57 12.745 2.715 8.919 429 HG21 VAL 57 HG21 VAL 57 10.576 1.439 8.365 430 HG22 VAL 57 HG22 VAL 57 9.263 2.307 7.571 431 HG23 VAL 57 HG23 VAL 57 9.572 2.557 9.289 432 H GLU 58 HN GLU 58 11.076 7.134 8.646 433 HA GLU 58 HA GLU 58 12.377 8.814 7.832 434 HB2 GLU 58 HB2 GLU 58 13.901 6.642 6.401 435 HB3 GLU 58 HB1 GLU 58 14.517 8.182 6.998 436 HG2 GLU 58 HG2 GLU 58 14.100 7.456 9.289 437 HG3 GLU 58 HG1 GLU 58 13.483 5.925 8.675 438 H GLY 59 HN GLY 59 10.050 8.289 6.257 439 HA2 GLY 59 HA2 GLY 59 9.301 9.430 4.336 440 HA3 GLY 59 HA1 GLY 59 10.961 9.526 3.772 441 H ILE 60 HN ILE 60 10.546 6.409 4.726 442 HA ILE 60 HA ILE 60 9.890 5.576 1.995 443 HB ILE 60 HB ILE 60 10.791 3.608 3.988 444 HG12 ILE 60 HG12 ILE 60 12.660 5.418 2.559 445 HG13 ILE 60 HG11 ILE 60 12.283 5.605 4.268 446 HG21 ILE 60 HG21 ILE 60 10.134 3.463 1.423 447 HG22 ILE 60 HG22 ILE 60 11.373 2.438 2.133 448 HG23 ILE 60 HG23 ILE 60 11.837 3.884 1.234 449 HD11 ILE 60 HD11 ILE 60 13.813 3.474 2.878 450 HD12 ILE 60 HD12 ILE 60 12.909 3.141 4.347 451 HD13 ILE 60 HD13 ILE 60 14.183 4.358 4.369 452 H LEU 61 HN LEU 61 8.259 4.062 1.608 453 HA LEU 61 HA LEU 61 6.598 3.315 3.923 454 HB2 LEU 61 HB2 LEU 61 5.664 4.397 1.741 455 HB3 LEU 61 HB1 LEU 61 5.895 2.806 1.043 456 HG LEU 61 HG LEU 61 4.393 1.881 2.813 457 HD11 LEU 61 HD11 LEU 61 3.950 4.800 3.412 458 HD12 LEU 61 HD12 LEU 61 4.640 3.589 4.496 459 HD13 LEU 61 HD13 LEU 61 2.947 3.478 4.009 460 HD21 LEU 61 HD21 LEU 61 3.236 4.025 1.033 461 HD22 LEU 61 HD22 LEU 61 2.329 2.709 1.780 462 HD23 LEU 61 HD23 LEU 61 3.567 2.354 0.574 463 H HIS 62 HN HIS 62 7.017 1.297 4.753 464 HA HIS 62 HA HIS 62 8.532 -0.543 3.013 465 HB2 HIS 62 HB2 HIS 62 9.747 0.605 4.954 466 HB3 HIS 62 HB1 HIS 62 8.795 -0.428 6.012 467 HD1 HIS 62 HD1 HIS 62 11.041 -0.939 2.971 468 HD2 HIS 62 HD2 HIS 62 10.130 -2.688 6.629 469 HE1 HIS 62 HE1 HIS 62 12.569 -2.927 3.171 470 HE2 HIS 62 HE2 HIS 62 12.171 -3.808 5.501 471 H ALA 63 HN ALA 63 8.028 -2.641 2.954 472 HA ALA 63 HA ALA 63 5.603 -3.551 4.305 473 HB1 ALA 63 HB1 ALA 63 7.224 -4.552 1.985 474 HB2 ALA 63 HB2 ALA 63 5.518 -4.096 2.039 475 HB3 ALA 63 HB3 ALA 63 6.055 -5.596 2.791 476 HA PRO 64 HA PRO 64 7.600 -6.091 7.317 477 HB2 PRO 64 HB2 PRO 64 5.904 -8.372 6.524 478 HB3 PRO 64 HB1 PRO 64 5.993 -7.518 8.069 479 HG2 PRO 64 HG2 PRO 64 3.889 -7.213 6.464 480 HG3 PRO 64 HG1 PRO 64 4.557 -5.831 7.360 481 HD2 PRO 64 HD2 PRO 64 4.999 -6.621 4.494 482 HD3 PRO 64 HD1 PRO 64 4.603 -5.018 5.164 483 H ASP 65 HN ASP 65 8.721 -8.155 7.685 484 HA ASP 65 HA ASP 65 10.921 -8.483 6.137 485 HB2 ASP 65 HB2 ASP 65 9.412 -10.136 8.040 486 HB3 ASP 65 HB1 ASP 65 10.524 -11.037 7.024 487 H ALA 66 HN ALA 66 7.989 -10.355 5.942 488 HA ALA 66 HA ALA 66 8.964 -11.946 3.714 489 HB1 ALA 66 HB1 ALA 66 6.489 -12.846 4.253 490 HB2 ALA 66 HB2 ALA 66 6.901 -12.063 5.789 491 HB3 ALA 66 HB3 ALA 66 7.924 -13.354 5.151 492 H GLY 67 HN GLY 67 6.376 -9.710 4.586 493 HA2 GLY 67 HA2 GLY 67 5.085 -8.367 3.280 494 HA3 GLY 67 HA1 GLY 67 6.053 -8.836 1.889 495 H TRP 68 HN TRP 68 3.080 -8.632 2.675 496 HA TRP 68 HA TRP 68 1.940 -11.186 2.393 497 HB2 TRP 68 HB2 TRP 68 0.320 -8.987 1.402 498 HB3 TRP 68 HB1 TRP 68 0.054 -10.030 2.786 499 HD1 TRP 68 HD1 TRP 68 0.365 -8.979 5.115 500 HE1 TRP 68 HE1 TRP 68 1.188 -6.708 5.976 501 HE3 TRP 68 HE3 TRP 68 2.191 -7.012 0.763 502 HZ2 TRP 68 HZ2 TRP 68 2.401 -4.379 4.974 503 HZ3 TRP 68 HZ3 TRP 68 3.157 -4.756 0.798 504 HH2 TRP 68 HH2 TRP 68 3.265 -3.466 2.865 505 H GLY 69 HN GLY 69 1.395 -8.551 0.110 506 HA2 GLY 69 HA2 GLY 69 2.832 -9.573 -2.044 507 HA3 GLY 69 HA1 GLY 69 1.185 -10.171 -2.106 508 H ASN 70 HN ASN 70 -0.522 -8.700 -2.176 509 HA ASN 70 HA ASN 70 -0.058 -6.047 -3.057 510 HB2 ASN 70 HB2 ASN 70 -1.170 -6.451 -5.271 511 HB3 ASN 70 HB1 ASN 70 0.509 -6.894 -5.160 512 HD21 ASN 70 HD21 ASN 70 -1.489 -7.748 -7.040 513 HD22 ASN 70 HD22 ASN 70 -1.604 -9.461 -6.912 514 H LEU 71 HN LEU 71 -1.420 -6.874 -1.046 515 HA LEU 71 HA LEU 71 -4.160 -6.996 -1.137 516 HB2 LEU 71 HB2 LEU 71 -2.693 -4.926 0.417 517 HB3 LEU 71 HB1 LEU 71 -4.101 -5.889 0.897 518 HG LEU 71 HG LEU 71 -1.754 -7.484 0.238 519 HD11 LEU 71 HD11 LEU 71 -1.675 -5.527 2.503 520 HD12 LEU 71 HD12 LEU 71 -0.570 -5.673 1.122 521 HD13 LEU 71 HD13 LEU 71 -0.618 -6.938 2.361 522 HD21 LEU 71 HD21 LEU 71 -2.494 -8.727 2.120 523 HD22 LEU 71 HD22 LEU 71 -3.909 -8.229 1.171 524 HD23 LEU 71 HD23 LEU 71 -3.502 -7.384 2.676 525 H VAL 72 HN VAL 72 -5.627 -5.285 -0.911 526 HA VAL 72 HA VAL 72 -5.100 -3.221 -2.945 527 HB VAL 72 HB VAL 72 -7.016 -4.446 -3.461 528 HG11 VAL 72 HG11 VAL 72 -8.478 -4.045 -0.952 529 HG12 VAL 72 HG12 VAL 72 -7.008 -5.032 -0.801 530 HG13 VAL 72 HG13 VAL 72 -8.296 -5.502 -1.942 531 HG21 VAL 72 HG21 VAL 72 -8.716 -2.806 -3.479 532 HG22 VAL 72 HG22 VAL 72 -7.179 -1.930 -3.456 533 HG23 VAL 72 HG23 VAL 72 -8.134 -2.077 -1.978 534 H TYR 73 HN TYR 73 -4.226 -1.516 -2.043 535 HA TYR 73 HA TYR 73 -4.641 -0.837 0.690 536 HB2 TYR 73 HB2 TYR 73 -3.190 0.702 -1.459 537 HB3 TYR 73 HB1 TYR 73 -3.056 0.948 0.279 538 HD1 TYR 73 HD1 TYR 73 -0.943 0.160 -1.952 539 HD2 TYR 73 HD2 TYR 73 -3.027 -1.975 1.076 540 HE1 TYR 73 HE1 TYR 73 0.894 -1.471 -1.841 541 HE2 TYR 73 HE2 TYR 73 -1.195 -3.610 1.196 542 HH TYR 73 HH TYR 73 1.827 -3.097 -0.334 543 H VAL 74 HN VAL 74 -5.428 0.942 1.567 544 HA VAL 74 HA VAL 74 -7.542 2.358 0.116 545 HB VAL 74 HB VAL 74 -7.232 1.160 2.826 546 HG11 VAL 74 HG11 VAL 74 -9.043 3.522 2.265 547 HG12 VAL 74 HG12 VAL 74 -7.716 3.455 3.430 548 HG13 VAL 74 HG13 VAL 74 -9.164 2.473 3.679 549 HG21 VAL 74 HG21 VAL 74 -9.503 0.427 2.400 550 HG22 VAL 74 HG22 VAL 74 -8.422 0.027 1.068 551 HG23 VAL 74 HG23 VAL 74 -9.542 1.378 0.915 552 H VAL 75 HN VAL 75 -7.969 4.613 1.079 553 HA VAL 75 HA VAL 75 -5.346 5.889 0.904 554 HB VAL 75 HB VAL 75 -7.103 6.282 -0.879 555 HG11 VAL 75 HG11 VAL 75 -8.394 7.948 1.264 556 HG12 VAL 75 HG12 VAL 75 -9.079 6.551 0.434 557 HG13 VAL 75 HG13 VAL 75 -8.769 8.038 -0.458 558 HG21 VAL 75 HG21 VAL 75 -5.168 7.677 -0.689 559 HG22 VAL 75 HG22 VAL 75 -5.962 8.660 0.541 560 HG23 VAL 75 HG23 VAL 75 -6.577 8.648 -1.112 561 H ASN 76 HN ASN 76 -4.586 6.343 2.926 562 HA ASN 76 HA ASN 76 -6.209 8.438 4.211 563 HB2 ASN 76 HB2 ASN 76 -4.901 7.732 6.372 564 HB3 ASN 76 HB1 ASN 76 -6.373 6.904 5.912 565 HD21 ASN 76 HD21 ASN 76 -4.107 6.119 7.582 566 HD22 ASN 76 HD22 ASN 76 -3.546 4.624 6.903 567 H TYR 77 HN TYR 77 -5.233 10.383 4.190 568 HA TYR 77 HA TYR 77 -2.403 10.422 4.885 569 HB2 TYR 77 HB2 TYR 77 -2.361 12.525 3.331 570 HB3 TYR 77 HB1 TYR 77 -1.910 10.935 2.760 571 HD1 TYR 77 HD1 TYR 77 -3.205 9.795 1.161 572 HD2 TYR 77 HD2 TYR 77 -4.544 13.538 2.657 573 HE1 TYR 77 HE1 TYR 77 -4.818 9.916 -0.669 574 HE2 TYR 77 HE2 TYR 77 -6.184 13.687 0.826 575 HH TYR 77 HH TYR 77 -6.529 12.792 -1.404 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 11.490 -11.883 -7.585 2 H2 MET 1 HT2 MET 1 11.144 -13.031 -8.783 3 H3 MET 1 HT3 MET 1 9.886 -12.164 -8.047 4 HA MET 1 HA MET 1 12.029 -10.927 -9.669 5 HB2 MET 1 HB2 MET 1 9.182 -11.611 -10.430 6 HB3 MET 1 HB1 MET 1 10.278 -10.639 -11.403 7 HG2 MET 1 HG2 MET 1 11.803 -12.582 -11.539 8 HG3 MET 1 HG1 MET 1 10.606 -13.540 -10.672 9 HE1 MET 1 HE1 MET 1 10.583 -15.361 -12.617 10 HE2 MET 1 HE2 MET 1 11.840 -14.418 -13.416 11 HE3 MET 1 HE3 MET 1 10.424 -14.941 -14.324 12 H SER 2 HN SER 2 11.054 -10.229 -7.052 13 HA SER 2 HA SER 2 10.448 -8.424 -5.858 14 HB2 SER 2 HB2 SER 2 11.587 -7.124 -7.709 15 HB3 SER 2 HB1 SER 2 9.998 -6.920 -8.444 16 HG SER 2 HG SER 2 9.831 -5.268 -7.165 17 H GLU 3 HN GLU 3 8.606 -8.266 -4.807 18 HA GLU 3 HA GLU 3 6.179 -9.120 -6.049 19 HB2 GLU 3 HB2 GLU 3 6.986 -9.599 -3.637 20 HB3 GLU 3 HB1 GLU 3 6.394 -7.985 -3.276 21 HG2 GLU 3 HG2 GLU 3 4.819 -9.828 -2.773 22 HG3 GLU 3 HG1 GLU 3 4.175 -8.589 -3.851 23 H TYR 4 HN TYR 4 4.184 -7.841 -6.020 24 HA TYR 4 HA TYR 4 4.780 -4.979 -6.235 25 HB2 TYR 4 HB2 TYR 4 3.380 -4.824 -8.168 26 HB3 TYR 4 HB1 TYR 4 4.461 -6.182 -8.456 27 HD1 TYR 4 HD1 TYR 4 1.065 -5.251 -7.469 28 HD2 TYR 4 HD2 TYR 4 3.584 -8.380 -8.816 29 HE1 TYR 4 HE1 TYR 4 -0.909 -6.623 -7.871 30 HE2 TYR 4 HE2 TYR 4 1.610 -9.798 -9.220 31 HH TYR 4 HH TYR 4 -1.529 -8.609 -9.320 32 H ILE 5 HN ILE 5 2.611 -3.742 -6.094 33 HA ILE 5 HA ILE 5 1.085 -4.985 -3.916 34 HB ILE 5 HB ILE 5 0.939 -2.931 -2.778 35 HG12 ILE 5 HG12 ILE 5 2.517 -1.703 -5.059 36 HG13 ILE 5 HG11 ILE 5 0.801 -1.460 -4.765 37 HG21 ILE 5 HG21 ILE 5 3.244 -2.531 -2.134 38 HG22 ILE 5 HG22 ILE 5 3.809 -3.300 -3.616 39 HG23 ILE 5 HG23 ILE 5 2.970 -4.255 -2.391 40 HD11 ILE 5 HD11 ILE 5 2.082 0.449 -4.037 41 HD12 ILE 5 HD12 ILE 5 3.046 -0.576 -2.980 42 HD13 ILE 5 HD13 ILE 5 1.331 -0.348 -2.656 43 H ARG 6 HN ARG 6 -1.098 -4.038 -3.593 44 HA ARG 6 HA ARG 6 -2.130 -2.942 -6.120 45 HB2 ARG 6 HB2 ARG 6 -3.231 -4.944 -6.047 46 HB3 ARG 6 HB1 ARG 6 -2.978 -5.135 -4.295 47 HG2 ARG 6 HG2 ARG 6 -5.257 -4.941 -4.488 48 HG3 ARG 6 HG1 ARG 6 -4.776 -3.287 -4.122 49 HD2 ARG 6 HD2 ARG 6 -6.445 -3.343 -5.845 50 HD3 ARG 6 HD1 ARG 6 -4.921 -2.726 -6.489 51 HE ARG 6 HE ARG 6 -4.591 -4.879 -7.543 52 HH11 ARG 6 HH11 ARG 6 -7.806 -4.281 -6.317 53 HH12 ARG 6 HH12 ARG 6 -8.576 -5.393 -7.406 54 HH21 ARG 6 HH21 ARG 6 -5.603 -6.350 -9.000 55 HH22 ARG 6 HH22 ARG 6 -7.331 -6.541 -8.948 56 H VAL 7 HN VAL 7 -3.151 -0.949 -5.893 57 HA VAL 7 HA VAL 7 -4.000 -0.173 -3.199 58 HB VAL 7 HB VAL 7 -1.899 0.827 -3.193 59 HG11 VAL 7 HG11 VAL 7 -2.374 1.453 -6.075 60 HG12 VAL 7 HG12 VAL 7 -1.041 0.559 -5.329 61 HG13 VAL 7 HG13 VAL 7 -1.151 2.309 -5.140 62 HG21 VAL 7 HG21 VAL 7 -2.272 3.255 -3.387 63 HG22 VAL 7 HG22 VAL 7 -3.559 2.424 -2.514 64 HG23 VAL 7 HG23 VAL 7 -3.809 2.926 -4.187 65 H THR 8 HN THR 8 -5.767 1.167 -3.130 66 HA THR 8 HA THR 8 -6.311 2.791 -5.438 67 HB THR 8 HB THR 8 -7.582 0.969 -6.131 68 HG1 THR 8 HG1 THR 8 -8.744 2.816 -6.415 69 HG21 THR 8 HG21 THR 8 -8.842 -0.398 -4.876 70 HG22 THR 8 HG22 THR 8 -9.220 0.821 -3.657 71 HG23 THR 8 HG23 THR 8 -7.631 0.048 -3.674 72 H GLU 9 HN GLU 9 -7.643 4.643 -4.947 73 HA GLU 9 HA GLU 9 -7.115 5.594 -2.380 74 HB2 GLU 9 HB2 GLU 9 -8.938 6.643 -4.500 75 HB3 GLU 9 HB1 GLU 9 -8.636 7.451 -2.967 76 HG2 GLU 9 HG2 GLU 9 -7.135 8.441 -4.446 77 HG3 GLU 9 HG1 GLU 9 -6.178 7.309 -3.518 78 H ASP 10 HN ASP 10 -9.969 4.145 -3.731 79 HA ASP 10 HA ASP 10 -11.036 3.844 -1.027 80 HB2 ASP 10 HB2 ASP 10 -12.376 5.374 -2.813 81 HB3 ASP 10 HB1 ASP 10 -12.918 3.766 -3.291 82 H GLU 11 HN GLU 11 -12.267 1.911 -0.862 83 HA GLU 11 HA GLU 11 -10.784 -0.312 -1.791 84 HB2 GLU 11 HB2 GLU 11 -13.616 -0.306 -0.719 85 HB3 GLU 11 HB1 GLU 11 -12.537 -1.687 -0.789 86 HG2 GLU 11 HG2 GLU 11 -11.285 -0.977 0.985 87 HG3 GLU 11 HG1 GLU 11 -11.711 0.719 0.750 88 H ASN 12 HN ASN 12 -13.600 1.359 -2.865 89 HA ASN 12 HA ASN 12 -13.772 -0.415 -5.190 90 HB2 ASN 12 HB2 ASN 12 -15.729 -0.530 -3.672 91 HB3 ASN 12 HB1 ASN 12 -16.018 1.156 -4.021 92 HD21 ASN 12 HD21 ASN 12 -18.076 0.442 -4.719 93 HD22 ASN 12 HD22 ASN 12 -18.254 -0.224 -6.298 94 H ASP 13 HN ASP 13 -12.094 2.095 -4.805 95 HA ASP 13 HA ASP 13 -13.286 3.837 -6.803 96 HB2 ASP 13 HB2 ASP 13 -11.324 4.445 -5.072 97 HB3 ASP 13 HB1 ASP 13 -10.321 3.819 -6.356 98 H GLU 14 HN GLU 14 -10.206 3.520 -7.751 99 HA GLU 14 HA GLU 14 -10.708 1.142 -9.428 100 HB2 GLU 14 HB2 GLU 14 -10.437 3.440 -10.557 101 HB3 GLU 14 HB1 GLU 14 -8.740 3.307 -10.124 102 HG2 GLU 14 HG2 GLU 14 -8.651 1.137 -11.329 103 HG3 GLU 14 HG1 GLU 14 -10.301 1.424 -11.873 104 HA PRO 15 HA PRO 15 -7.211 -0.044 -6.722 105 HB2 PRO 15 HB2 PRO 15 -7.787 -2.672 -6.693 106 HB3 PRO 15 HB1 PRO 15 -8.576 -1.511 -5.620 107 HG2 PRO 15 HG2 PRO 15 -9.473 -2.642 -8.197 108 HG3 PRO 15 HG1 PRO 15 -10.373 -2.480 -6.675 109 HD2 PRO 15 HD2 PRO 15 -10.695 -0.757 -8.728 110 HD3 PRO 15 HD1 PRO 15 -10.780 -0.223 -7.034 111 H ILE 16 HN ILE 16 -5.263 -0.648 -7.445 112 HA ILE 16 HA ILE 16 -5.093 -1.709 -10.165 113 HB ILE 16 HB ILE 16 -3.193 -0.096 -10.497 114 HG12 ILE 16 HG12 ILE 16 -3.597 0.366 -7.774 115 HG13 ILE 16 HG11 ILE 16 -2.550 1.278 -8.839 116 HG21 ILE 16 HG21 ILE 16 -4.678 1.796 -11.020 117 HG22 ILE 16 HG22 ILE 16 -5.949 0.989 -10.105 118 HG23 ILE 16 HG23 ILE 16 -5.313 0.242 -11.568 119 HD11 ILE 16 HD11 ILE 16 -3.905 2.835 -7.682 120 HD12 ILE 16 HD12 ILE 16 -5.373 1.920 -8.044 121 HD13 ILE 16 HD13 ILE 16 -4.515 2.768 -9.337 122 H GLU 17 HN GLU 17 -3.391 -3.030 -10.565 123 HA GLU 17 HA GLU 17 -1.689 -3.751 -8.299 124 HB2 GLU 17 HB2 GLU 17 -2.070 -5.071 -10.973 125 HB3 GLU 17 HB1 GLU 17 -1.014 -5.649 -9.684 126 HG2 GLU 17 HG2 GLU 17 -2.795 -6.188 -8.295 127 HG3 GLU 17 HG1 GLU 17 -3.918 -5.167 -9.193 128 H ILE 18 HN ILE 18 0.326 -3.073 -8.165 129 HA ILE 18 HA ILE 18 1.701 -2.071 -10.547 130 HB ILE 18 HB ILE 18 2.355 0.036 -9.408 131 HG12 ILE 18 HG12 ILE 18 0.132 -0.625 -7.465 132 HG13 ILE 18 HG11 ILE 18 1.850 -0.746 -7.093 133 HG21 ILE 18 HG21 ILE 18 -0.604 -0.316 -9.862 134 HG22 ILE 18 HG22 ILE 18 0.609 0.057 -11.086 135 HG23 ILE 18 HG23 ILE 18 0.250 1.228 -9.817 136 HD11 ILE 18 HD11 ILE 18 0.901 1.310 -6.228 137 HD12 ILE 18 HD12 ILE 18 0.380 1.766 -7.852 138 HD13 ILE 18 HD13 ILE 18 2.101 1.647 -7.476 139 HA PRO 19 HA PRO 19 5.198 -3.827 -8.453 140 HB2 PRO 19 HB2 PRO 19 6.918 -2.178 -10.138 141 HB3 PRO 19 HB1 PRO 19 6.687 -3.927 -10.157 142 HG2 PRO 19 HG2 PRO 19 5.806 -2.312 -12.142 143 HG3 PRO 19 HG1 PRO 19 4.986 -3.818 -11.694 144 HD2 PRO 19 HD2 PRO 19 4.292 -0.992 -10.981 145 HD3 PRO 19 HD1 PRO 19 3.222 -2.329 -11.458 146 H SER 20 HN SER 20 7.005 -3.238 -7.156 147 HA SER 20 HA SER 20 7.170 -0.415 -6.386 148 HB2 SER 20 HB2 SER 20 7.077 -2.747 -4.477 149 HB3 SER 20 HB1 SER 20 7.294 -1.060 -4.026 150 HG SER 20 HG SER 20 5.127 -1.332 -5.593 151 H GLU 21 HN GLU 21 9.223 -0.124 -4.888 152 HA GLU 21 HA GLU 21 11.458 -0.880 -6.463 153 HB2 GLU 21 HB2 GLU 21 11.241 1.171 -4.999 154 HB3 GLU 21 HB1 GLU 21 11.543 0.103 -3.643 155 HG2 GLU 21 HG2 GLU 21 13.731 -0.414 -4.435 156 HG3 GLU 21 HG1 GLU 21 13.431 0.435 -5.953 157 H ASP 22 HN ASP 22 13.081 -2.284 -6.082 158 HA ASP 22 HA ASP 22 12.230 -4.863 -5.571 159 HB2 ASP 22 HB2 ASP 22 14.245 -4.055 -6.893 160 HB3 ASP 22 HB1 ASP 22 15.051 -3.916 -5.332 161 H ASP 23 HN ASP 23 13.434 -2.499 -3.397 162 HA ASP 23 HA ASP 23 14.437 -4.331 -1.402 163 HB2 ASP 23 HB2 ASP 23 15.385 -2.143 -1.484 164 HB3 ASP 23 HB1 ASP 23 13.810 -1.385 -1.305 165 H GLY 24 HN GLY 24 11.518 -3.449 -2.517 166 HA2 GLY 24 HA2 GLY 24 9.393 -4.114 -1.773 167 HA3 GLY 24 HA1 GLY 24 10.076 -4.510 -0.192 168 H THR 25 HN THR 25 10.745 -1.618 -1.883 169 HA THR 25 HA THR 25 9.669 -0.090 0.364 170 HB THR 25 HB THR 25 12.346 -0.493 -0.649 171 HG1 THR 25 HG1 THR 25 12.702 -0.286 1.389 172 HG21 THR 25 HG21 THR 25 11.887 1.548 -1.887 173 HG22 THR 25 HG22 THR 25 13.155 1.768 -0.678 174 HG23 THR 25 HG23 THR 25 11.527 2.387 -0.377 175 H VAL 26 HN VAL 26 9.000 2.005 -0.049 176 HA VAL 26 HA VAL 26 9.321 3.132 -2.673 177 HB VAL 26 HB VAL 26 6.884 3.985 -2.395 178 HG11 VAL 26 HG11 VAL 26 6.076 1.971 -3.670 179 HG12 VAL 26 HG12 VAL 26 7.647 1.233 -3.320 180 HG13 VAL 26 HG13 VAL 26 7.557 2.701 -4.298 181 HG21 VAL 26 HG21 VAL 26 6.309 3.099 -0.298 182 HG22 VAL 26 HG22 VAL 26 6.949 1.517 -0.733 183 HG23 VAL 26 HG23 VAL 26 5.456 2.097 -1.480 184 H LEU 27 HN LEU 27 9.618 5.344 -2.575 185 HA LEU 27 HA LEU 27 10.246 6.569 -0.100 186 HB2 LEU 27 HB2 LEU 27 9.476 7.919 -2.689 187 HB3 LEU 27 HB1 LEU 27 10.326 8.653 -1.351 188 HG LEU 27 HG LEU 27 12.257 7.120 -1.838 189 HD11 LEU 27 HD11 LEU 27 12.351 6.092 -4.054 190 HD12 LEU 27 HD12 LEU 27 10.683 6.581 -4.361 191 HD13 LEU 27 HD13 LEU 27 11.039 5.396 -3.102 192 HD21 LEU 27 HD21 LEU 27 12.597 9.253 -2.552 193 HD22 LEU 27 HD22 LEU 27 11.134 9.248 -3.553 194 HD23 LEU 27 HD23 LEU 27 12.609 8.425 -4.118 195 H LEU 28 HN LEU 28 8.736 7.031 1.420 196 HA LEU 28 HA LEU 28 5.986 7.089 0.954 197 HB2 LEU 28 HB2 LEU 28 6.802 6.721 3.156 198 HB3 LEU 28 HB1 LEU 28 7.727 8.213 3.130 199 HG LEU 28 HG LEU 28 5.571 9.458 3.066 200 HD11 LEU 28 HD11 LEU 28 4.406 6.744 3.664 201 HD12 LEU 28 HD12 LEU 28 4.141 7.700 2.206 202 HD13 LEU 28 HD13 LEU 28 3.538 8.277 3.760 203 HD21 LEU 28 HD21 LEU 28 5.077 9.115 5.463 204 HD22 LEU 28 HD22 LEU 28 6.804 9.248 5.132 205 HD23 LEU 28 HD23 LEU 28 6.083 7.667 5.438 206 H SER 29 HN SER 29 8.294 9.709 1.370 207 HA SER 29 HA SER 29 6.420 11.803 1.208 208 HB2 SER 29 HB2 SER 29 8.509 12.146 2.363 209 HB3 SER 29 HB1 SER 29 9.435 11.724 0.926 210 HG SER 29 HG SER 29 7.956 14.066 1.480 211 H THR 30 HN THR 30 8.757 10.454 -1.100 212 HA THR 30 HA THR 30 8.087 12.169 -3.215 213 HB THR 30 HB THR 30 9.577 9.633 -2.944 214 HG1 THR 30 HG1 THR 30 10.167 12.186 -2.776 215 HG21 THR 30 HG21 THR 30 8.470 9.405 -5.001 216 HG22 THR 30 HG22 THR 30 10.157 9.768 -5.327 217 HG23 THR 30 HG23 THR 30 8.919 11.017 -5.522 218 H VAL 31 HN VAL 31 6.863 9.082 -2.102 219 HA VAL 31 HA VAL 31 5.050 8.597 -4.177 220 HB VAL 31 HB VAL 31 5.293 7.731 -1.350 221 HG11 VAL 31 HG11 VAL 31 2.920 8.267 -1.442 222 HG12 VAL 31 HG12 VAL 31 3.171 6.523 -1.402 223 HG13 VAL 31 HG13 VAL 31 2.752 7.320 -2.917 224 HG21 VAL 31 HG21 VAL 31 5.453 5.596 -2.312 225 HG22 VAL 31 HG22 VAL 31 6.278 6.661 -3.455 226 HG23 VAL 31 HG23 VAL 31 4.639 6.108 -3.789 227 H THR 32 HN THR 32 4.718 10.554 -1.210 228 HA THR 32 HA THR 32 1.977 11.089 -1.593 229 HB THR 32 HB THR 32 2.016 12.503 0.211 230 HG1 THR 32 HG1 THR 32 4.716 13.168 -0.481 231 HG21 THR 32 HG21 THR 32 3.986 10.420 0.331 232 HG22 THR 32 HG22 THR 32 2.722 10.854 1.481 233 HG23 THR 32 HG23 THR 32 4.275 11.698 1.513 234 H ALA 33 HN ALA 33 4.743 12.443 -3.088 235 HA ALA 33 HA ALA 33 3.837 14.895 -4.003 236 HB1 ALA 33 HB1 ALA 33 5.408 13.077 -5.735 237 HB2 ALA 33 HB2 ALA 33 6.070 13.788 -4.276 238 HB3 ALA 33 HB3 ALA 33 5.520 14.834 -5.576 239 H GLN 34 HN GLN 34 1.525 13.373 -4.100 240 HA GLN 34 HA GLN 34 0.304 13.847 -6.533 241 HB2 GLN 34 HB2 GLN 34 0.239 11.533 -7.444 242 HB3 GLN 34 HB1 GLN 34 1.828 12.303 -7.549 243 HG2 GLN 34 HG2 GLN 34 1.822 10.994 -5.133 244 HG3 GLN 34 HG1 GLN 34 1.030 9.862 -6.243 245 HE21 GLN 34 HE21 GLN 34 3.966 11.720 -5.598 246 HE22 GLN 34 HE22 GLN 34 4.984 10.791 -6.652 247 H PHE 35 HN PHE 35 -1.456 11.844 -6.827 248 HA PHE 35 HA PHE 35 -2.402 11.197 -4.127 249 HB2 PHE 35 HB2 PHE 35 -3.659 11.369 -6.841 250 HB3 PHE 35 HB1 PHE 35 -4.454 10.490 -5.541 251 HD1 PHE 35 HD1 PHE 35 -2.965 12.815 -3.676 252 HD2 PHE 35 HD2 PHE 35 -5.893 12.631 -6.761 253 HE1 PHE 35 HE1 PHE 35 -3.937 14.928 -2.876 254 HE2 PHE 35 HE2 PHE 35 -6.867 14.744 -5.965 255 HZ PHE 35 HZ PHE 35 -5.890 15.895 -4.023 256 HA PRO 36 HA PRO 36 -1.382 6.969 -5.284 257 HB2 PRO 36 HB2 PRO 36 0.858 6.604 -4.031 258 HB3 PRO 36 HB1 PRO 36 0.840 7.762 -5.375 259 HG2 PRO 36 HG2 PRO 36 0.824 8.289 -2.427 260 HG3 PRO 36 HG1 PRO 36 1.621 9.195 -3.727 261 HD2 PRO 36 HD2 PRO 36 -0.953 9.666 -2.554 262 HD3 PRO 36 HD1 PRO 36 -0.166 10.573 -3.871 263 H GLY 37 HN GLY 37 -2.656 8.375 -2.614 264 HA2 GLY 37 HA2 GLY 37 -3.413 7.264 -0.598 265 HA3 GLY 37 HA1 GLY 37 -2.035 6.173 -0.740 266 H ALA 38 HN ALA 38 -0.326 8.349 -1.519 267 HA ALA 38 HA ALA 38 1.142 9.838 -0.782 268 HB1 ALA 38 HB1 ALA 38 0.269 11.742 0.477 269 HB2 ALA 38 HB2 ALA 38 -1.234 10.858 0.725 270 HB3 ALA 38 HB3 ALA 38 -0.742 11.308 -0.901 271 H SER 39 HN SER 39 -0.622 9.739 2.334 272 HA SER 39 HA SER 39 2.081 9.462 3.476 273 HB2 SER 39 HB2 SER 39 -0.156 11.203 4.489 274 HB3 SER 39 HB1 SER 39 1.474 11.115 5.147 275 HG SER 39 HG SER 39 0.568 12.689 3.220 276 H GLY 40 HN GLY 40 -1.198 8.573 3.493 277 HA2 GLY 40 HA2 GLY 40 -0.777 6.970 5.920 278 HA3 GLY 40 HA1 GLY 40 -2.322 7.630 5.386 279 H LEU 41 HN LEU 41 -1.334 4.804 5.825 280 HA LEU 41 HA LEU 41 -2.521 3.980 3.305 281 HB2 LEU 41 HB2 LEU 41 0.009 3.205 4.287 282 HB3 LEU 41 HB1 LEU 41 -1.036 1.810 4.428 283 HG LEU 41 HG LEU 41 -0.040 1.625 2.282 284 HD11 LEU 41 HD11 LEU 41 -2.556 3.002 1.496 285 HD12 LEU 41 HD12 LEU 41 -2.638 1.559 2.499 286 HD13 LEU 41 HD13 LEU 41 -1.867 1.484 0.911 287 HD21 LEU 41 HD21 LEU 41 0.889 3.825 2.076 288 HD22 LEU 41 HD22 LEU 41 -0.725 4.538 2.018 289 HD23 LEU 41 HD23 LEU 41 -0.147 3.545 0.672 290 H ARG 42 HN ARG 42 -4.143 2.661 3.392 291 HA ARG 42 HA ARG 42 -4.562 1.049 5.807 292 HB2 ARG 42 HB2 ARG 42 -6.729 2.211 4.086 293 HB3 ARG 42 HB1 ARG 42 -6.947 1.198 5.508 294 HG2 ARG 42 HG2 ARG 42 -5.984 2.929 6.913 295 HG3 ARG 42 HG1 ARG 42 -5.738 3.948 5.462 296 HD2 ARG 42 HD2 ARG 42 -8.030 4.034 5.012 297 HD3 ARG 42 HD1 ARG 42 -8.420 2.846 6.265 298 HE ARG 42 HE ARG 42 -7.203 4.883 7.630 299 HH11 ARG 42 HH11 ARG 42 -9.946 4.733 5.450 300 HH12 ARG 42 HH12 ARG 42 -10.816 5.995 6.254 301 HH21 ARG 42 HH21 ARG 42 -8.362 6.537 8.690 302 HH22 ARG 42 HH22 ARG 42 -9.933 6.999 8.115 303 H TYR 43 HN TYR 43 -5.503 -1.107 5.168 304 HA TYR 43 HA TYR 43 -6.142 -1.342 2.385 305 HB2 TYR 43 HB2 TYR 43 -4.602 -3.091 1.810 306 HB3 TYR 43 HB1 TYR 43 -3.751 -1.645 2.361 307 HD1 TYR 43 HD1 TYR 43 -5.064 -3.257 5.147 308 HD2 TYR 43 HD2 TYR 43 -1.911 -3.579 2.350 309 HE1 TYR 43 HE1 TYR 43 -3.817 -4.703 6.726 310 HE2 TYR 43 HE2 TYR 43 -0.639 -4.988 3.904 311 HH TYR 43 HH TYR 43 -2.015 -6.380 6.678 312 H ARG 44 HN ARG 44 -6.883 -3.462 1.759 313 HA ARG 44 HA ARG 44 -8.142 -4.892 4.003 314 HB2 ARG 44 HB2 ARG 44 -9.048 -4.659 1.126 315 HB3 ARG 44 HB1 ARG 44 -9.794 -5.709 2.324 316 HG2 ARG 44 HG2 ARG 44 -10.275 -3.692 3.697 317 HG3 ARG 44 HG1 ARG 44 -9.678 -2.703 2.362 318 HD2 ARG 44 HD2 ARG 44 -12.123 -2.895 2.326 319 HD3 ARG 44 HD1 ARG 44 -11.387 -3.616 0.895 320 HE ARG 44 HE ARG 44 -11.636 -5.718 2.558 321 HH11 ARG 44 HH11 ARG 44 -13.905 -3.228 1.622 322 HH12 ARG 44 HH12 ARG 44 -15.284 -4.293 1.678 323 HH21 ARG 44 HH21 ARG 44 -13.422 -7.119 2.647 324 HH22 ARG 44 HH22 ARG 44 -15.002 -6.517 2.234 325 H ASN 45 HN ASN 45 -8.003 -7.148 3.988 326 HA ASN 45 HA ASN 45 -5.695 -8.136 2.491 327 HB2 ASN 45 HB2 ASN 45 -5.056 -6.935 4.615 328 HB3 ASN 45 HB1 ASN 45 -6.000 -8.139 5.493 329 HD21 ASN 45 HD21 ASN 45 -4.962 -10.269 3.571 330 HD22 ASN 45 HD22 ASN 45 -3.362 -10.597 4.144 331 HA PRO 46 HA PRO 46 -8.396 -11.664 2.082 332 HB2 PRO 46 HB2 PRO 46 -5.756 -12.998 1.694 333 HB3 PRO 46 HB1 PRO 46 -7.240 -13.135 0.742 334 HG2 PRO 46 HG2 PRO 46 -5.272 -11.626 -0.146 335 HG3 PRO 46 HG1 PRO 46 -6.945 -11.040 -0.252 336 HD2 PRO 46 HD2 PRO 46 -4.789 -10.275 1.665 337 HD3 PRO 46 HD1 PRO 46 -6.017 -9.256 0.893 338 H VAL 47 HN VAL 47 -6.434 -11.269 4.757 339 HA VAL 47 HA VAL 47 -7.252 -13.839 5.884 340 HB VAL 47 HB VAL 47 -4.998 -13.377 6.365 341 HG11 VAL 47 HG11 VAL 47 -5.668 -10.769 7.652 342 HG12 VAL 47 HG12 VAL 47 -5.096 -10.905 5.992 343 HG13 VAL 47 HG13 VAL 47 -4.066 -11.435 7.325 344 HG21 VAL 47 HG21 VAL 47 -6.033 -14.440 8.167 345 HG22 VAL 47 HG22 VAL 47 -6.792 -12.938 8.699 346 HG23 VAL 47 HG23 VAL 47 -5.047 -13.161 8.884 347 H SER 48 HN SER 48 -6.904 -10.826 7.603 348 HA SER 48 HA SER 48 -9.634 -11.154 8.500 349 HB2 SER 48 HB2 SER 48 -8.859 -9.837 10.480 350 HB3 SER 48 HB1 SER 48 -7.948 -11.334 10.215 351 HG SER 48 HG SER 48 -6.593 -9.508 10.638 352 H GLN 49 HN GLN 49 -7.821 -9.351 6.440 353 HA GLN 49 HA GLN 49 -7.905 -7.391 5.380 354 HB2 GLN 49 HB2 GLN 49 -10.780 -7.633 6.023 355 HB3 GLN 49 HB1 GLN 49 -10.087 -6.645 4.764 356 HG2 GLN 49 HG2 GLN 49 -9.038 -8.991 4.132 357 HG3 GLN 49 HG1 GLN 49 -10.522 -9.505 4.861 358 HE21 GLN 49 HE21 GLN 49 -9.003 -8.089 2.253 359 HE22 GLN 49 HE22 GLN 49 -10.363 -7.906 1.237 360 H SER 50 HN SER 50 -7.694 -7.283 8.318 361 HA SER 50 HA SER 50 -8.709 -5.042 9.477 362 HB2 SER 50 HB2 SER 50 -5.787 -5.592 9.464 363 HB3 SER 50 HB1 SER 50 -6.712 -4.814 10.734 364 HG SER 50 HG SER 50 -7.753 -6.782 11.125 365 H MET 51 HN MET 51 -8.956 -3.005 8.795 366 HA MET 51 HA MET 51 -7.642 -1.926 6.540 367 HB2 MET 51 HB2 MET 51 -8.514 0.296 7.417 368 HB3 MET 51 HB1 MET 51 -9.723 -0.932 7.095 369 HG2 MET 51 HG2 MET 51 -9.740 -1.478 9.516 370 HG3 MET 51 HG1 MET 51 -8.627 -0.138 9.783 371 HE1 MET 51 HE1 MET 51 -9.270 2.418 9.408 372 HE2 MET 51 HE2 MET 51 -10.809 2.940 8.722 373 HE3 MET 51 HE3 MET 51 -9.667 2.025 7.736 374 H ARG 52 HN ARG 52 -5.466 -2.237 6.799 375 HA ARG 52 HA ARG 52 -4.214 -0.682 8.967 376 HB2 ARG 52 HB2 ARG 52 -3.976 -2.949 9.606 377 HB3 ARG 52 HB1 ARG 52 -3.536 -3.431 7.994 378 HG2 ARG 52 HG2 ARG 52 -1.520 -1.815 8.393 379 HG3 ARG 52 HG1 ARG 52 -1.888 -2.189 10.089 380 HD2 ARG 52 HD2 ARG 52 -1.966 -4.626 9.322 381 HD3 ARG 52 HD1 ARG 52 -1.148 -4.069 7.868 382 HE ARG 52 HE ARG 52 0.427 -3.064 9.797 383 HH11 ARG 52 HH11 ARG 52 -0.838 -6.288 9.224 384 HH12 ARG 52 HH12 ARG 52 0.508 -7.083 9.995 385 HH21 ARG 52 HH21 ARG 52 2.166 -4.111 10.831 386 HH22 ARG 52 HH22 ARG 52 2.206 -5.845 10.918 387 H GLY 53 HN GLY 53 -2.239 0.140 8.568 388 HA2 GLY 53 HA2 GLY 53 -1.834 0.904 5.815 389 HA3 GLY 53 HA1 GLY 53 -1.210 1.736 7.220 390 H VAL 54 HN VAL 54 0.224 1.383 5.087 391 HA VAL 54 HA VAL 54 2.025 -0.839 5.282 392 HB VAL 54 HB VAL 54 1.938 1.597 3.482 393 HG11 VAL 54 HG11 VAL 54 3.835 -0.756 3.354 394 HG12 VAL 54 HG12 VAL 54 4.270 0.881 3.842 395 HG13 VAL 54 HG13 VAL 54 3.732 0.566 2.192 396 HG21 VAL 54 HG21 VAL 54 1.344 -0.029 1.764 397 HG22 VAL 54 HG22 VAL 54 0.205 -0.096 3.109 398 HG23 VAL 54 HG23 VAL 54 1.449 -1.336 2.943 399 H ARG 55 HN ARG 55 4.259 -0.675 5.929 400 HA ARG 55 HA ARG 55 4.559 0.906 8.245 401 HB2 ARG 55 HB2 ARG 55 6.687 -0.537 6.763 402 HB3 ARG 55 HB1 ARG 55 6.787 0.048 8.416 403 HG2 ARG 55 HG2 ARG 55 6.092 -1.943 9.040 404 HG3 ARG 55 HG1 ARG 55 4.514 -1.534 8.363 405 HD2 ARG 55 HD2 ARG 55 5.092 -2.418 6.259 406 HD3 ARG 55 HD1 ARG 55 6.767 -2.630 6.739 407 HE ARG 55 HE ARG 55 4.546 -4.223 7.844 408 HH11 ARG 55 HH11 ARG 55 7.886 -3.850 6.877 409 HH12 ARG 55 HH12 ARG 55 8.267 -5.537 7.050 410 HH21 ARG 55 HH21 ARG 55 5.037 -6.458 8.103 411 HH22 ARG 55 HH22 ARG 55 6.665 -7.010 7.801 412 H LEU 56 HN LEU 56 5.469 2.906 8.528 413 HA LEU 56 HA LEU 56 7.051 3.935 6.279 414 HB2 LEU 56 HB2 LEU 56 6.614 6.188 7.231 415 HB3 LEU 56 HB1 LEU 56 5.189 5.373 6.640 416 HG LEU 56 HG LEU 56 5.199 4.711 9.292 417 HD11 LEU 56 HD11 LEU 56 6.166 7.550 9.044 418 HD12 LEU 56 HD12 LEU 56 7.012 6.207 9.817 419 HD13 LEU 56 HD13 LEU 56 5.513 6.822 10.514 420 HD21 LEU 56 HD21 LEU 56 3.846 7.056 7.974 421 HD22 LEU 56 HD22 LEU 56 3.352 6.297 9.488 422 HD23 LEU 56 HD23 LEU 56 3.269 5.389 7.978 423 H VAL 57 HN VAL 57 9.176 3.803 6.570 424 HA VAL 57 HA VAL 57 10.237 4.139 9.309 425 HB VAL 57 HB VAL 57 11.484 2.379 7.196 426 HG11 VAL 57 HG11 VAL 57 11.881 2.335 10.180 427 HG12 VAL 57 HG12 VAL 57 12.846 3.335 9.096 428 HG13 VAL 57 HG13 VAL 57 12.876 1.578 8.932 429 HG21 VAL 57 HG21 VAL 57 10.587 0.441 8.407 430 HG22 VAL 57 HG22 VAL 57 9.297 1.442 7.742 431 HG23 VAL 57 HG23 VAL 57 9.676 1.521 9.463 432 H GLU 58 HN GLU 58 11.308 6.009 9.349 433 HA GLU 58 HA GLU 58 12.621 7.780 8.770 434 HB2 GLU 58 HB2 GLU 58 14.161 5.832 7.062 435 HB3 GLU 58 HB1 GLU 58 14.766 7.265 7.884 436 HG2 GLU 58 HG2 GLU 58 14.218 6.141 10.047 437 HG3 GLU 58 HG1 GLU 58 13.865 4.689 9.109 438 H GLY 59 HN GLY 59 10.323 7.434 7.117 439 HA2 GLY 59 HA2 GLY 59 9.593 8.823 5.368 440 HA3 GLY 59 HA1 GLY 59 11.255 8.972 4.821 441 H ILE 60 HN ILE 60 10.920 5.754 5.313 442 HA ILE 60 HA ILE 60 10.215 5.290 2.519 443 HB ILE 60 HB ILE 60 10.900 3.070 4.354 444 HG12 ILE 60 HG12 ILE 60 12.901 4.798 2.990 445 HG13 ILE 60 HG11 ILE 60 12.595 4.867 4.721 446 HG21 ILE 60 HG21 ILE 60 10.146 3.099 1.827 447 HG22 ILE 60 HG22 ILE 60 11.356 1.966 2.401 448 HG23 ILE 60 HG23 ILE 60 11.858 3.431 1.564 449 HD11 ILE 60 HD11 ILE 60 13.880 2.743 3.094 450 HD12 ILE 60 HD12 ILE 60 13.009 2.361 4.570 451 HD13 ILE 60 HD13 ILE 60 14.382 3.462 4.634 452 H LEU 61 HN LEU 61 8.487 4.050 1.892 453 HA LEU 61 HA LEU 61 6.648 3.163 4.012 454 HB2 LEU 61 HB2 LEU 61 5.984 4.712 1.994 455 HB3 LEU 61 HB1 LEU 61 5.969 3.208 1.094 456 HG LEU 61 HG LEU 61 4.307 2.311 2.711 457 HD11 LEU 61 HD11 LEU 61 4.312 5.142 3.748 458 HD12 LEU 61 HD12 LEU 61 4.846 3.707 4.622 459 HD13 LEU 61 HD13 LEU 61 3.147 3.893 4.185 460 HD21 LEU 61 HD21 LEU 61 3.543 4.870 1.307 461 HD22 LEU 61 HD22 LEU 61 2.423 3.620 1.849 462 HD23 LEU 61 HD23 LEU 61 3.597 3.263 0.582 463 H HIS 62 HN HIS 62 6.800 0.971 4.473 464 HA HIS 62 HA HIS 62 8.110 -0.660 2.388 465 HB2 HIS 62 HB2 HIS 62 9.177 -0.077 4.810 466 HB3 HIS 62 HB1 HIS 62 8.328 -1.572 5.187 467 HD1 HIS 62 HD1 HIS 62 9.035 -3.701 3.658 468 HD2 HIS 62 HD2 HIS 62 11.547 -0.394 3.505 469 HE1 HIS 62 HE1 HIS 62 11.194 -4.534 2.681 470 HE2 HIS 62 HE2 HIS 62 12.604 -2.470 2.377 471 H ALA 63 HN ALA 63 7.087 -2.401 1.682 472 HA ALA 63 HA ALA 63 4.822 -3.523 3.087 473 HB1 ALA 63 HB1 ALA 63 4.481 -3.508 0.785 474 HB2 ALA 63 HB2 ALA 63 5.085 -5.133 1.062 475 HB3 ALA 63 HB3 ALA 63 6.162 -3.904 0.438 476 HA PRO 64 HA PRO 64 7.225 -6.549 5.191 477 HB2 PRO 64 HB2 PRO 64 5.525 -8.802 4.375 478 HB3 PRO 64 HB1 PRO 64 5.730 -8.081 5.977 479 HG2 PRO 64 HG2 PRO 64 3.445 -7.782 4.613 480 HG3 PRO 64 HG1 PRO 64 4.108 -6.462 5.600 481 HD2 PRO 64 HD2 PRO 64 4.358 -6.907 2.635 482 HD3 PRO 64 HD1 PRO 64 3.865 -5.420 3.498 483 H ASP 65 HN ASP 65 8.739 -8.276 4.941 484 HA ASP 65 HA ASP 65 10.271 -8.107 2.682 485 HB2 ASP 65 HB2 ASP 65 10.006 -10.409 4.617 486 HB3 ASP 65 HB1 ASP 65 11.312 -10.271 3.448 487 H ALA 66 HN ALA 66 7.863 -10.516 3.459 488 HA ALA 66 HA ALA 66 7.379 -11.190 0.691 489 HB1 ALA 66 HB1 ALA 66 7.850 -13.647 1.259 490 HB2 ALA 66 HB2 ALA 66 8.770 -12.986 2.621 491 HB3 ALA 66 HB3 ALA 66 9.242 -12.597 0.966 492 H GLY 67 HN GLY 67 5.897 -10.050 2.784 493 HA2 GLY 67 HA2 GLY 67 4.553 -11.993 4.357 494 HA3 GLY 67 HA1 GLY 67 4.103 -10.301 4.201 495 H TRP 68 HN TRP 68 2.399 -9.756 2.912 496 HA TRP 68 HA TRP 68 0.699 -11.968 2.207 497 HB2 TRP 68 HB2 TRP 68 -0.220 -9.228 1.676 498 HB3 TRP 68 HB1 TRP 68 -0.971 -10.509 2.605 499 HD1 TRP 68 HD1 TRP 68 0.207 -7.188 3.145 500 HE1 TRP 68 HE1 TRP 68 0.888 -6.778 5.579 501 HE3 TRP 68 HE3 TRP 68 0.548 -12.016 4.693 502 HZ2 TRP 68 HZ2 TRP 68 1.488 -8.312 7.887 503 HZ3 TRP 68 HZ3 TRP 68 1.177 -12.482 7.036 504 HH2 TRP 68 HH2 TRP 68 1.645 -10.659 8.597 505 H GLY 69 HN GLY 69 1.633 -8.927 0.699 506 HA2 GLY 69 HA2 GLY 69 3.035 -9.674 -1.427 507 HA3 GLY 69 HA1 GLY 69 1.409 -10.117 -1.894 508 H ASN 70 HN ASN 70 -0.220 -8.328 -1.481 509 HA ASN 70 HA ASN 70 0.806 -5.836 -2.580 510 HB2 ASN 70 HB2 ASN 70 -1.198 -6.128 -4.288 511 HB3 ASN 70 HB1 ASN 70 0.439 -6.634 -4.671 512 HD21 ASN 70 HD21 ASN 70 -0.342 -8.117 -6.165 513 HD22 ASN 70 HD22 ASN 70 -1.124 -9.584 -5.704 514 H LEU 71 HN LEU 71 -2.111 -7.690 -1.897 515 HA LEU 71 HA LEU 71 -4.107 -7.125 -0.998 516 HB2 LEU 71 HB2 LEU 71 -2.601 -5.043 0.499 517 HB3 LEU 71 HB1 LEU 71 -4.057 -5.877 0.997 518 HG LEU 71 HG LEU 71 -2.503 -6.898 2.337 519 HD11 LEU 71 HD11 LEU 71 -1.902 -9.105 1.392 520 HD12 LEU 71 HD12 LEU 71 -2.498 -8.534 -0.169 521 HD13 LEU 71 HD13 LEU 71 -3.599 -8.663 1.203 522 HD21 LEU 71 HD21 LEU 71 -0.463 -6.040 1.955 523 HD22 LEU 71 HD22 LEU 71 -0.616 -6.178 0.203 524 HD23 LEU 71 HD23 LEU 71 -0.210 -7.603 1.171 525 H VAL 72 HN VAL 72 -5.692 -5.497 -0.733 526 HA VAL 72 HA VAL 72 -5.331 -3.517 -2.790 527 HB VAL 72 HB VAL 72 -7.771 -3.289 -2.437 528 HG11 VAL 72 HG11 VAL 72 -6.888 -6.087 -3.032 529 HG12 VAL 72 HG12 VAL 72 -6.797 -4.745 -4.171 530 HG13 VAL 72 HG13 VAL 72 -8.369 -5.307 -3.596 531 HG21 VAL 72 HG21 VAL 72 -8.384 -4.011 -0.367 532 HG22 VAL 72 HG22 VAL 72 -7.029 -5.165 -0.311 533 HG23 VAL 72 HG23 VAL 72 -8.531 -5.574 -1.192 534 H TYR 73 HN TYR 73 -4.248 -1.814 -1.949 535 HA TYR 73 HA TYR 73 -4.570 -1.046 0.764 536 HB2 TYR 73 HB2 TYR 73 -3.240 0.391 -1.528 537 HB3 TYR 73 HB1 TYR 73 -3.108 0.844 0.168 538 HD1 TYR 73 HD1 TYR 73 -0.967 -0.013 -1.951 539 HD2 TYR 73 HD2 TYR 73 -2.919 -2.009 1.240 540 HE1 TYR 73 HE1 TYR 73 0.972 -1.477 -1.694 541 HE2 TYR 73 HE2 TYR 73 -0.964 -3.482 1.515 542 HH TYR 73 HH TYR 73 0.934 -4.302 -0.041 543 H VAL 74 HN VAL 74 -5.679 0.488 1.686 544 HA VAL 74 HA VAL 74 -7.516 2.084 0.051 545 HB VAL 74 HB VAL 74 -7.357 1.147 2.872 546 HG11 VAL 74 HG11 VAL 74 -8.909 3.614 2.013 547 HG12 VAL 74 HG12 VAL 74 -7.584 3.561 3.180 548 HG13 VAL 74 HG13 VAL 74 -9.120 2.772 3.550 549 HG21 VAL 74 HG21 VAL 74 -9.740 0.700 2.488 550 HG22 VAL 74 HG22 VAL 74 -8.696 -0.054 1.291 551 HG23 VAL 74 HG23 VAL 74 -9.598 1.399 0.875 552 H VAL 75 HN VAL 75 -7.634 4.464 0.625 553 HA VAL 75 HA VAL 75 -4.823 5.324 0.764 554 HB VAL 75 HB VAL 75 -6.940 5.967 -1.261 555 HG11 VAL 75 HG11 VAL 75 -5.647 7.876 -2.030 556 HG12 VAL 75 HG12 VAL 75 -4.570 7.716 -0.643 557 HG13 VAL 75 HG13 VAL 75 -6.263 8.142 -0.400 558 HG21 VAL 75 HG21 VAL 75 -5.000 5.665 -2.769 559 HG22 VAL 75 HG22 VAL 75 -5.346 4.251 -1.778 560 HG23 VAL 75 HG23 VAL 75 -3.996 5.307 -1.363 561 H ASN 76 HN ASN 76 -4.421 6.585 2.394 562 HA ASN 76 HA ASN 76 -6.419 8.637 3.076 563 HB2 ASN 76 HB2 ASN 76 -5.511 8.321 5.495 564 HB3 ASN 76 HB1 ASN 76 -6.722 7.225 4.902 565 HD21 ASN 76 HD21 ASN 76 -5.436 5.362 3.616 566 HD22 ASN 76 HD22 ASN 76 -4.244 4.616 4.611 567 H TYR 77 HN TYR 77 -5.606 10.658 2.979 568 HA TYR 77 HA TYR 77 -2.938 11.107 4.034 569 HB2 TYR 77 HB2 TYR 77 -2.785 12.911 2.162 570 HB3 TYR 77 HB1 TYR 77 -2.167 11.290 1.930 571 HD1 TYR 77 HD1 TYR 77 -3.101 9.849 0.348 572 HD2 TYR 77 HD2 TYR 77 -4.954 13.596 1.095 573 HE1 TYR 77 HE1 TYR 77 -4.484 9.536 -1.645 574 HE2 TYR 77 HE2 TYR 77 -6.354 13.310 -0.909 575 HH TYR 77 HH TYR 77 -6.457 12.102 -2.932 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 6.873 -14.065 -12.731 2 H2 MET 1 HT2 MET 1 7.362 -12.470 -13.004 3 H3 MET 1 HT3 MET 1 6.269 -12.820 -11.755 4 HA MET 1 HA MET 1 7.991 -14.164 -10.662 5 HB2 MET 1 HB2 MET 1 9.752 -12.900 -12.776 6 HB3 MET 1 HB1 MET 1 10.340 -13.762 -11.361 7 HG2 MET 1 HG2 MET 1 9.183 -15.789 -12.164 8 HG3 MET 1 HG1 MET 1 8.719 -14.911 -13.621 9 HE1 MET 1 HE1 MET 1 10.509 -13.944 -15.379 10 HE2 MET 1 HE2 MET 1 12.252 -14.147 -15.197 11 HE3 MET 1 HE3 MET 1 11.360 -13.128 -14.067 12 H SER 2 HN SER 2 7.444 -10.968 -11.811 13 HA SER 2 HA SER 2 8.965 -9.738 -9.662 14 HB2 SER 2 HB2 SER 2 7.062 -8.438 -11.630 15 HB3 SER 2 HB1 SER 2 8.274 -7.632 -10.633 16 HG SER 2 HG SER 2 9.883 -8.516 -11.850 17 H GLU 3 HN GLU 3 8.107 -9.597 -7.664 18 HA GLU 3 HA GLU 3 5.286 -9.892 -7.273 19 HB2 GLU 3 HB2 GLU 3 7.548 -9.457 -5.346 20 HB3 GLU 3 HB1 GLU 3 5.878 -9.696 -4.850 21 HG2 GLU 3 HG2 GLU 3 5.910 -11.897 -5.946 22 HG3 GLU 3 HG1 GLU 3 7.594 -11.616 -6.380 23 H TYR 4 HN TYR 4 3.843 -8.295 -6.678 24 HA TYR 4 HA TYR 4 4.846 -5.562 -6.595 25 HB2 TYR 4 HB2 TYR 4 3.401 -4.876 -8.430 26 HB3 TYR 4 HB1 TYR 4 4.477 -6.155 -8.987 27 HD1 TYR 4 HD1 TYR 4 1.068 -5.405 -7.887 28 HD2 TYR 4 HD2 TYR 4 3.599 -8.222 -9.801 29 HE1 TYR 4 HE1 TYR 4 -0.890 -6.662 -8.563 30 HE2 TYR 4 HE2 TYR 4 1.626 -9.521 -10.503 31 HH TYR 4 HH TYR 4 -0.763 -9.820 -9.651 32 H ILE 5 HN ILE 5 2.752 -4.082 -6.383 33 HA ILE 5 HA ILE 5 0.998 -5.380 -4.413 34 HB ILE 5 HB ILE 5 1.058 -3.429 -3.030 35 HG12 ILE 5 HG12 ILE 5 3.031 -2.316 -5.040 36 HG13 ILE 5 HG11 ILE 5 1.394 -1.730 -4.773 37 HG21 ILE 5 HG21 ILE 5 3.374 -3.536 -2.218 38 HG22 ILE 5 HG22 ILE 5 3.843 -4.357 -3.706 39 HG23 ILE 5 HG23 ILE 5 2.725 -5.135 -2.584 40 HD11 ILE 5 HD11 ILE 5 3.060 -0.283 -3.752 41 HD12 ILE 5 HD12 ILE 5 3.637 -1.632 -2.775 42 HD13 ILE 5 HD13 ILE 5 2.006 -1.006 -2.538 43 H ARG 6 HN ARG 6 -1.141 -4.190 -4.077 44 HA ARG 6 HA ARG 6 -1.792 -2.706 -6.530 45 HB2 ARG 6 HB2 ARG 6 -3.005 -4.707 -6.685 46 HB3 ARG 6 HB1 ARG 6 -3.332 -4.741 -4.934 47 HG2 ARG 6 HG2 ARG 6 -4.835 -2.870 -5.191 48 HG3 ARG 6 HG1 ARG 6 -4.409 -2.700 -6.890 49 HD2 ARG 6 HD2 ARG 6 -5.532 -5.259 -5.892 50 HD3 ARG 6 HD1 ARG 6 -6.546 -3.872 -6.185 51 HE ARG 6 HE ARG 6 -4.961 -4.348 -8.419 52 HH11 ARG 6 HH11 ARG 6 -7.705 -5.650 -6.690 53 HH12 ARG 6 HH12 ARG 6 -8.539 -6.179 -8.127 54 HH21 ARG 6 HH21 ARG 6 -6.037 -5.096 -10.334 55 HH22 ARG 6 HH22 ARG 6 -7.569 -5.899 -10.192 56 H VAL 7 HN VAL 7 -2.825 -0.715 -6.276 57 HA VAL 7 HA VAL 7 -3.445 0.093 -3.495 58 HB VAL 7 HB VAL 7 -2.308 2.068 -5.427 59 HG11 VAL 7 HG11 VAL 7 -2.151 1.834 -2.435 60 HG12 VAL 7 HG12 VAL 7 -3.257 2.865 -3.345 61 HG13 VAL 7 HG13 VAL 7 -1.519 3.165 -3.406 62 HG21 VAL 7 HG21 VAL 7 -0.632 0.416 -5.600 63 HG22 VAL 7 HG22 VAL 7 -0.675 0.083 -3.873 64 HG23 VAL 7 HG23 VAL 7 -0.027 1.615 -4.456 65 H THR 8 HN THR 8 -5.331 1.356 -3.279 66 HA THR 8 HA THR 8 -6.026 3.061 -5.501 67 HB THR 8 HB THR 8 -7.443 1.367 -6.160 68 HG1 THR 8 HG1 THR 8 -9.498 2.355 -4.739 69 HG21 THR 8 HG21 THR 8 -8.561 -0.105 -4.884 70 HG22 THR 8 HG22 THR 8 -8.697 0.973 -3.492 71 HG23 THR 8 HG23 THR 8 -7.157 0.183 -3.858 72 H GLU 9 HN GLU 9 -7.635 4.790 -4.818 73 HA GLU 9 HA GLU 9 -6.895 5.721 -2.242 74 HB2 GLU 9 HB2 GLU 9 -8.954 6.750 -4.172 75 HB3 GLU 9 HB1 GLU 9 -8.627 7.491 -2.609 76 HG2 GLU 9 HG2 GLU 9 -7.259 8.739 -3.890 77 HG3 GLU 9 HG1 GLU 9 -6.153 7.447 -3.464 78 H ASP 10 HN ASP 10 -9.744 4.165 -3.489 79 HA ASP 10 HA ASP 10 -10.431 3.496 -0.753 80 HB2 ASP 10 HB2 ASP 10 -12.007 5.302 -2.144 81 HB3 ASP 10 HB1 ASP 10 -12.798 3.743 -2.396 82 H GLU 11 HN GLU 11 -11.693 1.586 -0.640 83 HA GLU 11 HA GLU 11 -10.703 -0.531 -2.171 84 HB2 GLU 11 HB2 GLU 11 -13.295 -0.315 -0.621 85 HB3 GLU 11 HB1 GLU 11 -12.675 -1.817 -1.283 86 HG2 GLU 11 HG2 GLU 11 -11.126 -0.146 0.658 87 HG3 GLU 11 HG1 GLU 11 -12.265 -1.394 1.170 88 H ASN 12 HN ASN 12 -13.522 1.465 -2.389 89 HA ASN 12 HA ASN 12 -14.603 0.091 -4.666 90 HB2 ASN 12 HB2 ASN 12 -16.396 1.792 -4.365 91 HB3 ASN 12 HB1 ASN 12 -16.142 0.767 -2.975 92 HD21 ASN 12 HD21 ASN 12 -15.453 1.639 -1.099 93 HD22 ASN 12 HD22 ASN 12 -15.279 3.337 -0.843 94 H ASP 13 HN ASP 13 -12.084 2.243 -4.532 95 HA ASP 13 HA ASP 13 -13.083 3.910 -6.716 96 HB2 ASP 13 HB2 ASP 13 -11.196 4.543 -4.910 97 HB3 ASP 13 HB1 ASP 13 -10.165 3.788 -6.101 98 H GLU 14 HN GLU 14 -10.045 3.455 -7.514 99 HA GLU 14 HA GLU 14 -10.561 1.046 -9.132 100 HB2 GLU 14 HB2 GLU 14 -10.574 3.065 -10.515 101 HB3 GLU 14 HB1 GLU 14 -8.967 3.435 -9.933 102 HG2 GLU 14 HG2 GLU 14 -8.064 1.481 -11.003 103 HG3 GLU 14 HG1 GLU 14 -9.678 0.972 -11.496 104 HA PRO 15 HA PRO 15 -6.885 0.049 -6.637 105 HB2 PRO 15 HB2 PRO 15 -7.338 -2.607 -6.559 106 HB3 PRO 15 HB1 PRO 15 -8.100 -1.476 -5.437 107 HG2 PRO 15 HG2 PRO 15 -9.125 -2.665 -7.939 108 HG3 PRO 15 HG1 PRO 15 -9.928 -2.519 -6.363 109 HD2 PRO 15 HD2 PRO 15 -10.453 -0.834 -8.404 110 HD3 PRO 15 HD1 PRO 15 -10.449 -0.288 -6.712 111 H ILE 16 HN ILE 16 -4.986 -0.464 -7.481 112 HA ILE 16 HA ILE 16 -4.937 -1.521 -10.206 113 HB ILE 16 HB ILE 16 -3.137 0.194 -10.664 114 HG12 ILE 16 HG12 ILE 16 -3.505 0.724 -7.933 115 HG13 ILE 16 HG11 ILE 16 -2.503 1.616 -9.054 116 HG21 ILE 16 HG21 ILE 16 -4.754 1.941 -11.207 117 HG22 ILE 16 HG22 ILE 16 -5.927 1.141 -10.165 118 HG23 ILE 16 HG23 ILE 16 -5.351 0.332 -11.620 119 HD11 ILE 16 HD11 ILE 16 -3.891 3.180 -7.937 120 HD12 ILE 16 HD12 ILE 16 -5.337 2.211 -8.253 121 HD13 ILE 16 HD13 ILE 16 -4.508 3.032 -9.586 122 H GLU 17 HN GLU 17 -3.561 -3.120 -10.423 123 HA GLU 17 HA GLU 17 -1.644 -3.696 -8.345 124 HB2 GLU 17 HB2 GLU 17 -2.007 -5.166 -10.930 125 HB3 GLU 17 HB1 GLU 17 -1.323 -5.753 -9.419 126 HG2 GLU 17 HG2 GLU 17 -3.563 -5.509 -8.356 127 HG3 GLU 17 HG1 GLU 17 -4.198 -5.028 -9.931 128 H ILE 18 HN ILE 18 0.376 -3.123 -8.351 129 HA ILE 18 HA ILE 18 1.744 -2.319 -10.812 130 HB ILE 18 HB ILE 18 2.500 -0.172 -9.740 131 HG12 ILE 18 HG12 ILE 18 0.155 -0.692 -7.897 132 HG13 ILE 18 HG11 ILE 18 1.850 -0.722 -7.422 133 HG21 ILE 18 HG21 ILE 18 -0.438 -0.424 -10.361 134 HG22 ILE 18 HG22 ILE 18 0.861 -0.198 -11.532 135 HG23 ILE 18 HG23 ILE 18 0.490 1.075 -10.369 136 HD11 ILE 18 HD11 ILE 18 0.824 1.356 -6.758 137 HD12 ILE 18 HD12 ILE 18 0.314 1.665 -8.418 138 HD13 ILE 18 HD13 ILE 18 2.030 1.655 -8.011 139 HA PRO 19 HA PRO 19 5.224 -4.109 -8.723 140 HB2 PRO 19 HB2 PRO 19 6.948 -2.401 -10.379 141 HB3 PRO 19 HB1 PRO 19 6.791 -4.158 -10.369 142 HG2 PRO 19 HG2 PRO 19 5.869 -2.675 -12.405 143 HG3 PRO 19 HG1 PRO 19 5.032 -4.142 -11.866 144 HD2 PRO 19 HD2 PRO 19 4.392 -1.272 -11.273 145 HD3 PRO 19 HD1 PRO 19 3.296 -2.599 -11.715 146 H SER 20 HN SER 20 6.280 -3.675 -6.904 147 HA SER 20 HA SER 20 6.713 -0.873 -6.126 148 HB2 SER 20 HB2 SER 20 6.756 -1.853 -3.781 149 HB3 SER 20 HB1 SER 20 5.204 -1.944 -4.614 150 HG SER 20 HG SER 20 5.648 -3.938 -3.689 151 H GLU 21 HN GLU 21 8.618 -0.675 -4.451 152 HA GLU 21 HA GLU 21 11.023 -1.486 -5.719 153 HB2 GLU 21 HB2 GLU 21 10.713 0.531 -4.221 154 HB3 GLU 21 HB1 GLU 21 10.772 -0.602 -2.883 155 HG2 GLU 21 HG2 GLU 21 12.925 0.494 -3.289 156 HG3 GLU 21 HG1 GLU 21 13.003 -1.260 -3.447 157 H ASP 22 HN ASP 22 12.443 -2.978 -5.299 158 HA ASP 22 HA ASP 22 11.495 -5.527 -4.844 159 HB2 ASP 22 HB2 ASP 22 13.604 -4.792 -6.029 160 HB3 ASP 22 HB1 ASP 22 14.314 -4.609 -4.428 161 H ASP 23 HN ASP 23 12.780 -3.226 -2.563 162 HA ASP 23 HA ASP 23 13.373 -5.356 -0.634 163 HB2 ASP 23 HB2 ASP 23 14.433 -3.761 0.737 164 HB3 ASP 23 HB1 ASP 23 14.923 -3.384 -0.906 165 H GLY 24 HN GLY 24 10.793 -3.818 -1.699 166 HA2 GLY 24 HA2 GLY 24 8.632 -4.351 -0.864 167 HA3 GLY 24 HA1 GLY 24 9.316 -4.559 0.748 168 H THR 25 HN THR 25 10.053 -1.929 -1.340 169 HA THR 25 HA THR 25 9.094 -0.143 0.767 170 HB THR 25 HB THR 25 11.677 -0.650 -0.426 171 HG1 THR 25 HG1 THR 25 12.220 -0.324 1.544 172 HG21 THR 25 HG21 THR 25 11.195 1.284 -1.752 173 HG22 THR 25 HG22 THR 25 12.477 1.632 -0.587 174 HG23 THR 25 HG23 THR 25 10.840 2.234 -0.307 175 H VAL 26 HN VAL 26 8.400 1.909 0.192 176 HA VAL 26 HA VAL 26 8.481 2.710 -2.574 177 HB VAL 26 HB VAL 26 6.103 3.671 -2.130 178 HG11 VAL 26 HG11 VAL 26 5.123 1.566 -3.082 179 HG12 VAL 26 HG12 VAL 26 6.700 0.809 -2.814 180 HG13 VAL 26 HG13 VAL 26 6.547 2.164 -3.936 181 HG21 VAL 26 HG21 VAL 26 5.744 3.040 0.101 182 HG22 VAL 26 HG22 VAL 26 6.321 1.406 -0.213 183 HG23 VAL 26 HG23 VAL 26 4.762 1.926 -0.858 184 H LEU 27 HN LEU 27 8.867 4.894 -2.780 185 HA LEU 27 HA LEU 27 9.828 6.359 -0.558 186 HB2 LEU 27 HB2 LEU 27 8.806 7.466 -3.168 187 HB3 LEU 27 HB1 LEU 27 9.886 8.258 -2.047 188 HG LEU 27 HG LEU 27 11.607 6.495 -2.613 189 HD11 LEU 27 HD11 LEU 27 11.314 5.322 -4.744 190 HD12 LEU 27 HD12 LEU 27 9.663 5.938 -4.861 191 HD13 LEU 27 HD13 LEU 27 10.095 4.809 -3.575 192 HD21 LEU 27 HD21 LEU 27 12.085 8.485 -3.567 193 HD22 LEU 27 HD22 LEU 27 10.465 8.631 -4.275 194 HD23 LEU 27 HD23 LEU 27 11.692 7.600 -5.050 195 H LEU 28 HN LEU 28 8.584 7.156 1.025 196 HA LEU 28 HA LEU 28 5.777 7.171 0.847 197 HB2 LEU 28 HB2 LEU 28 6.233 7.010 3.032 198 HB3 LEU 28 HB1 LEU 28 7.887 7.512 2.733 199 HG LEU 28 HG LEU 28 7.089 9.863 2.798 200 HD11 LEU 28 HD11 LEU 28 4.625 8.579 3.980 201 HD12 LEU 28 HD12 LEU 28 4.703 9.498 2.477 202 HD13 LEU 28 HD13 LEU 28 4.989 10.304 4.018 203 HD21 LEU 28 HD21 LEU 28 7.067 9.945 5.249 204 HD22 LEU 28 HD22 LEU 28 8.305 8.851 4.634 205 HD23 LEU 28 HD23 LEU 28 6.804 8.203 5.294 206 H SER 29 HN SER 29 8.229 9.694 0.914 207 HA SER 29 HA SER 29 6.434 11.868 0.755 208 HB2 SER 29 HB2 SER 29 8.631 13.106 0.194 209 HB3 SER 29 HB1 SER 29 8.506 12.321 1.771 210 HG SER 29 HG SER 29 10.341 11.926 -0.075 211 H THR 30 HN THR 30 8.387 10.094 -1.604 212 HA THR 30 HA THR 30 7.771 11.804 -3.774 213 HB THR 30 HB THR 30 8.940 9.101 -3.481 214 HG1 THR 30 HG1 THR 30 9.996 11.442 -4.701 215 HG21 THR 30 HG21 THR 30 7.659 8.936 -5.430 216 HG22 THR 30 HG22 THR 30 9.339 9.090 -5.914 217 HG23 THR 30 HG23 THR 30 8.238 10.469 -6.058 218 H VAL 31 HN VAL 31 6.351 8.944 -2.367 219 HA VAL 31 HA VAL 31 4.258 8.548 -4.148 220 HB VAL 31 HB VAL 31 4.720 7.925 -1.274 221 HG11 VAL 31 HG11 VAL 31 2.014 7.623 -2.571 222 HG12 VAL 31 HG12 VAL 31 2.400 8.689 -1.221 223 HG13 VAL 31 HG13 VAL 31 2.499 6.940 -1.020 224 HG21 VAL 31 HG21 VAL 31 4.596 5.713 -2.018 225 HG22 VAL 31 HG22 VAL 31 5.374 6.572 -3.353 226 HG23 VAL 31 HG23 VAL 31 3.666 6.152 -3.448 227 H THR 32 HN THR 32 4.350 10.657 -1.247 228 HA THR 32 HA THR 32 1.703 11.511 -1.567 229 HB THR 32 HB THR 32 1.935 12.343 0.450 230 HG1 THR 32 HG1 THR 32 2.553 14.360 -0.832 231 HG21 THR 32 HG21 THR 32 3.988 10.822 0.342 232 HG22 THR 32 HG22 THR 32 3.835 11.971 1.686 233 HG23 THR 32 HG23 THR 32 4.915 12.333 0.335 234 H ALA 33 HN ALA 33 4.487 12.530 -3.258 235 HA ALA 33 HA ALA 33 3.803 15.011 -4.250 236 HB1 ALA 33 HB1 ALA 33 4.877 12.865 -5.998 237 HB2 ALA 33 HB2 ALA 33 5.816 13.615 -4.720 238 HB3 ALA 33 HB3 ALA 33 5.215 14.598 -6.047 239 H GLN 34 HN GLN 34 1.343 13.654 -3.959 240 HA GLN 34 HA GLN 34 -0.173 14.294 -6.170 241 HB2 GLN 34 HB2 GLN 34 -0.618 12.001 -7.043 242 HB3 GLN 34 HB1 GLN 34 0.994 12.629 -7.423 243 HG2 GLN 34 HG2 GLN 34 1.246 11.279 -5.026 244 HG3 GLN 34 HG1 GLN 34 0.226 10.245 -6.036 245 HE21 GLN 34 HE21 GLN 34 3.381 11.814 -5.751 246 HE22 GLN 34 HE22 GLN 34 4.156 10.834 -6.959 247 H PHE 35 HN PHE 35 -2.171 12.467 -6.158 248 HA PHE 35 HA PHE 35 -2.665 11.850 -3.324 249 HB2 PHE 35 HB2 PHE 35 -4.347 12.416 -5.704 250 HB3 PHE 35 HB1 PHE 35 -4.999 11.317 -4.494 251 HD1 PHE 35 HD1 PHE 35 -2.785 13.926 -3.320 252 HD2 PHE 35 HD2 PHE 35 -6.839 12.959 -4.176 253 HE1 PHE 35 HE1 PHE 35 -3.521 15.848 -1.976 254 HE2 PHE 35 HE2 PHE 35 -7.584 14.880 -2.832 255 HZ PHE 35 HZ PHE 35 -5.925 16.329 -1.729 256 HA PRO 36 HA PRO 36 -2.180 7.593 -4.778 257 HB2 PRO 36 HB2 PRO 36 0.232 7.107 -4.000 258 HB3 PRO 36 HB1 PRO 36 0.014 8.370 -5.226 259 HG2 PRO 36 HG2 PRO 36 0.497 8.661 -2.278 260 HG3 PRO 36 HG1 PRO 36 1.140 9.627 -3.621 261 HD2 PRO 36 HD2 PRO 36 -1.187 10.129 -2.037 262 HD3 PRO 36 HD1 PRO 36 -0.584 11.076 -3.421 263 H GLY 37 HN GLY 37 -2.873 8.878 -1.843 264 HA2 GLY 37 HA2 GLY 37 -3.338 7.620 0.183 265 HA3 GLY 37 HA1 GLY 37 -2.033 6.523 -0.267 266 H ALA 38 HN ALA 38 -0.457 8.831 -1.167 267 HA ALA 38 HA ALA 38 1.026 10.380 -0.526 268 HB1 ALA 38 HB1 ALA 38 0.263 11.923 1.323 269 HB2 ALA 38 HB2 ALA 38 -1.192 10.920 1.386 270 HB3 ALA 38 HB3 ALA 38 -0.776 11.781 -0.095 271 H SER 39 HN SER 39 -0.160 9.584 2.755 272 HA SER 39 HA SER 39 2.624 8.982 3.465 273 HB2 SER 39 HB2 SER 39 0.790 10.963 4.786 274 HB3 SER 39 HB1 SER 39 2.292 10.398 5.519 275 HG SER 39 HG SER 39 2.866 11.131 3.056 276 H GLY 40 HN GLY 40 -0.508 8.067 3.445 277 HA2 GLY 40 HA2 GLY 40 -0.164 6.371 5.829 278 HA3 GLY 40 HA1 GLY 40 -1.663 7.236 5.518 279 H LEU 41 HN LEU 41 -1.253 4.390 5.773 280 HA LEU 41 HA LEU 41 -2.508 3.795 3.215 281 HB2 LEU 41 HB2 LEU 41 -0.113 2.587 4.232 282 HB3 LEU 41 HB1 LEU 41 -1.387 1.386 4.204 283 HG LEU 41 HG LEU 41 -0.183 1.237 2.143 284 HD11 LEU 41 HD11 LEU 41 -1.948 1.632 0.526 285 HD12 LEU 41 HD12 LEU 41 -2.806 2.634 1.697 286 HD13 LEU 41 HD13 LEU 41 -2.582 0.913 2.005 287 HD21 LEU 41 HD21 LEU 41 0.853 3.380 2.024 288 HD22 LEU 41 HD22 LEU 41 -0.713 4.185 1.945 289 HD23 LEU 41 HD23 LEU 41 -0.158 3.207 0.584 290 H ARG 42 HN ARG 42 -4.162 2.356 3.234 291 HA ARG 42 HA ARG 42 -4.623 0.747 5.637 292 HB2 ARG 42 HB2 ARG 42 -6.847 1.931 4.015 293 HB3 ARG 42 HB1 ARG 42 -6.982 0.976 5.487 294 HG2 ARG 42 HG2 ARG 42 -5.945 2.755 6.770 295 HG3 ARG 42 HG1 ARG 42 -5.749 3.682 5.263 296 HD2 ARG 42 HD2 ARG 42 -8.065 3.769 4.893 297 HD3 ARG 42 HD1 ARG 42 -8.403 2.695 6.265 298 HE ARG 42 HE ARG 42 -7.014 4.948 7.216 299 HH11 ARG 42 HH11 ARG 42 -10.153 4.139 5.859 300 HH12 ARG 42 HH12 ARG 42 -10.969 5.438 6.675 301 HH21 ARG 42 HH21 ARG 42 -8.100 6.646 8.296 302 HH22 ARG 42 HH22 ARG 42 -9.813 6.848 8.083 303 H TYR 43 HN TYR 43 -5.312 -1.451 4.945 304 HA TYR 43 HA TYR 43 -6.338 -1.572 2.260 305 HB2 TYR 43 HB2 TYR 43 -4.773 -3.108 1.346 306 HB3 TYR 43 HB1 TYR 43 -3.923 -1.679 1.938 307 HD1 TYR 43 HD1 TYR 43 -2.601 -1.841 4.039 308 HD2 TYR 43 HD2 TYR 43 -4.305 -5.272 2.201 309 HE1 TYR 43 HE1 TYR 43 -1.113 -3.281 5.361 310 HE2 TYR 43 HE2 TYR 43 -2.807 -6.722 3.499 311 HH TYR 43 HH TYR 43 -0.599 -5.386 5.931 312 H ARG 44 HN ARG 44 -6.996 -3.682 1.577 313 HA ARG 44 HA ARG 44 -7.834 -5.348 3.842 314 HB2 ARG 44 HB2 ARG 44 -9.188 -4.862 1.193 315 HB3 ARG 44 HB1 ARG 44 -9.630 -6.188 2.259 316 HG2 ARG 44 HG2 ARG 44 -9.921 -4.329 4.044 317 HG3 ARG 44 HG1 ARG 44 -9.986 -3.247 2.650 318 HD2 ARG 44 HD2 ARG 44 -11.788 -5.599 3.209 319 HD3 ARG 44 HD1 ARG 44 -12.226 -3.894 3.272 320 HE ARG 44 HE ARG 44 -11.358 -4.202 0.724 321 HH11 ARG 44 HH11 ARG 44 -13.735 -5.886 2.694 322 HH12 ARG 44 HH12 ARG 44 -14.715 -6.344 1.327 323 HH21 ARG 44 HH21 ARG 44 -12.637 -4.826 -1.056 324 HH22 ARG 44 HH22 ARG 44 -14.086 -5.749 -0.790 325 H ASN 45 HN ASN 45 -7.939 -7.614 3.436 326 HA ASN 45 HA ASN 45 -5.797 -8.584 1.720 327 HB2 ASN 45 HB2 ASN 45 -4.797 -7.599 3.785 328 HB3 ASN 45 HB1 ASN 45 -5.813 -8.695 4.737 329 HD21 ASN 45 HD21 ASN 45 -2.911 -8.302 2.966 330 HD22 ASN 45 HD22 ASN 45 -2.297 -9.903 3.170 331 HA PRO 46 HA PRO 46 -8.735 -11.832 0.977 332 HB2 PRO 46 HB2 PRO 46 -6.164 -13.337 1.308 333 HB3 PRO 46 HB1 PRO 46 -7.466 -13.599 0.139 334 HG2 PRO 46 HG2 PRO 46 -5.261 -12.168 -0.464 335 HG3 PRO 46 HG1 PRO 46 -6.851 -11.801 -1.153 336 HD2 PRO 46 HD2 PRO 46 -5.263 -10.241 0.716 337 HD3 PRO 46 HD1 PRO 46 -6.741 -9.777 -0.143 338 H VAL 47 HN VAL 47 -6.717 -12.068 3.906 339 HA VAL 47 HA VAL 47 -8.219 -14.386 4.819 340 HB VAL 47 HB VAL 47 -5.961 -14.468 5.417 341 HG11 VAL 47 HG11 VAL 47 -6.054 -11.940 6.974 342 HG12 VAL 47 HG12 VAL 47 -5.611 -11.944 5.268 343 HG13 VAL 47 HG13 VAL 47 -4.643 -12.855 6.436 344 HG21 VAL 47 HG21 VAL 47 -7.263 -15.406 7.106 345 HG22 VAL 47 HG22 VAL 47 -7.721 -13.818 7.719 346 HG23 VAL 47 HG23 VAL 47 -6.071 -14.407 7.944 347 H SER 48 HN SER 48 -7.351 -11.623 6.777 348 HA SER 48 HA SER 48 -10.127 -11.545 7.618 349 HB2 SER 48 HB2 SER 48 -8.419 -12.102 9.337 350 HB3 SER 48 HB1 SER 48 -7.692 -10.516 9.084 351 HG SER 48 HG SER 48 -10.253 -10.094 9.506 352 H GLN 49 HN GLN 49 -7.909 -9.948 5.759 353 HA GLN 49 HA GLN 49 -7.734 -7.937 4.774 354 HB2 GLN 49 HB2 GLN 49 -10.633 -7.836 5.285 355 HB3 GLN 49 HB1 GLN 49 -9.763 -7.027 4.010 356 HG2 GLN 49 HG2 GLN 49 -9.023 -9.458 3.445 357 HG3 GLN 49 HG1 GLN 49 -10.495 -9.847 4.278 358 HE21 GLN 49 HE21 GLN 49 -9.046 -8.478 1.576 359 HE22 GLN 49 HE22 GLN 49 -10.449 -8.284 0.628 360 H SER 50 HN SER 50 -7.658 -7.890 7.746 361 HA SER 50 HA SER 50 -8.763 -5.721 8.949 362 HB2 SER 50 HB2 SER 50 -5.865 -6.127 9.298 363 HB3 SER 50 HB1 SER 50 -7.095 -5.844 10.518 364 HG SER 50 HG SER 50 -7.249 -7.917 10.748 365 H MET 51 HN MET 51 -8.968 -3.669 8.267 366 HA MET 51 HA MET 51 -7.367 -2.510 6.261 367 HB2 MET 51 HB2 MET 51 -8.337 -0.291 7.301 368 HB3 MET 51 HB1 MET 51 -9.364 -1.365 6.378 369 HG2 MET 51 HG2 MET 51 -10.195 -2.341 8.466 370 HG3 MET 51 HG1 MET 51 -9.160 -1.244 9.378 371 HE1 MET 51 HE1 MET 51 -12.831 0.108 9.959 372 HE2 MET 51 HE2 MET 51 -11.357 -0.441 10.756 373 HE3 MET 51 HE3 MET 51 -12.310 -1.568 9.792 374 H ARG 52 HN ARG 52 -5.247 -2.670 6.715 375 HA ARG 52 HA ARG 52 -4.312 -1.006 8.971 376 HB2 ARG 52 HB2 ARG 52 -2.330 -2.406 9.132 377 HB3 ARG 52 HB1 ARG 52 -3.744 -3.386 9.367 378 HG2 ARG 52 HG2 ARG 52 -3.614 -4.055 7.001 379 HG3 ARG 52 HG1 ARG 52 -2.056 -3.203 6.935 380 HD2 ARG 52 HD2 ARG 52 -1.395 -5.343 7.494 381 HD3 ARG 52 HD1 ARG 52 -1.558 -4.564 9.061 382 HE ARG 52 HE ARG 52 -3.648 -5.711 9.364 383 HH11 ARG 52 HH11 ARG 52 -1.678 -6.883 6.698 384 HH12 ARG 52 HH12 ARG 52 -2.350 -8.484 6.758 385 HH21 ARG 52 HH21 ARG 52 -4.535 -7.808 9.405 386 HH22 ARG 52 HH22 ARG 52 -3.976 -9.002 8.269 387 H GLY 53 HN GLY 53 -2.241 -0.040 8.605 388 HA2 GLY 53 HA2 GLY 53 -1.846 0.499 5.770 389 HA3 GLY 53 HA1 GLY 53 -1.614 1.709 7.021 390 H VAL 54 HN VAL 54 0.188 1.488 5.231 391 HA VAL 54 HA VAL 54 2.253 -0.426 5.779 392 HB VAL 54 HB VAL 54 2.121 1.820 3.758 393 HG11 VAL 54 HG11 VAL 54 4.116 -0.432 4.018 394 HG12 VAL 54 HG12 VAL 54 4.442 1.280 4.284 395 HG13 VAL 54 HG13 VAL 54 4.021 0.704 2.672 396 HG21 VAL 54 HG21 VAL 54 1.660 0.086 2.147 397 HG22 VAL 54 HG22 VAL 54 0.481 -0.010 3.459 398 HG23 VAL 54 HG23 VAL 54 1.819 -1.158 3.388 399 H ARG 55 HN ARG 55 4.336 0.023 6.504 400 HA ARG 55 HA ARG 55 4.372 1.908 8.636 401 HB2 ARG 55 HB2 ARG 55 6.522 0.160 7.567 402 HB3 ARG 55 HB1 ARG 55 6.583 1.034 9.098 403 HG2 ARG 55 HG2 ARG 55 5.797 -0.873 9.934 404 HG3 ARG 55 HG1 ARG 55 4.247 -0.279 9.359 405 HD2 ARG 55 HD2 ARG 55 4.673 -1.435 7.204 406 HD3 ARG 55 HD1 ARG 55 6.110 -2.139 7.928 407 HE ARG 55 HE ARG 55 3.365 -2.658 8.864 408 HH11 ARG 55 HH11 ARG 55 6.689 -3.649 8.383 409 HH12 ARG 55 HH12 ARG 55 6.430 -5.274 8.959 410 HH21 ARG 55 HH21 ARG 55 3.014 -4.786 9.621 411 HH22 ARG 55 HH22 ARG 55 4.323 -5.927 9.644 412 H LEU 56 HN LEU 56 5.341 3.917 8.727 413 HA LEU 56 HA LEU 56 6.938 4.678 6.393 414 HB2 LEU 56 HB2 LEU 56 6.729 6.979 7.189 415 HB3 LEU 56 HB1 LEU 56 5.171 6.236 6.923 416 HG LEU 56 HG LEU 56 5.647 5.800 9.598 417 HD11 LEU 56 HD11 LEU 56 6.585 8.570 8.880 418 HD12 LEU 56 HD12 LEU 56 7.569 7.282 9.577 419 HD13 LEU 56 HD13 LEU 56 6.251 7.989 10.513 420 HD21 LEU 56 HD21 LEU 56 3.902 7.475 9.942 421 HD22 LEU 56 HD22 LEU 56 3.524 6.427 8.575 422 HD23 LEU 56 HD23 LEU 56 4.137 8.057 8.294 423 H VAL 57 HN VAL 57 9.074 4.500 6.497 424 HA VAL 57 HA VAL 57 10.410 4.817 9.113 425 HB VAL 57 HB VAL 57 11.275 2.791 7.052 426 HG11 VAL 57 HG11 VAL 57 11.854 2.900 10.004 427 HG12 VAL 57 HG12 VAL 57 12.862 3.669 8.784 428 HG13 VAL 57 HG13 VAL 57 12.656 1.918 8.773 429 HG21 VAL 57 HG21 VAL 57 10.252 1.039 8.458 430 HG22 VAL 57 HG22 VAL 57 9.047 2.122 7.761 431 HG23 VAL 57 HG23 VAL 57 9.510 2.289 9.454 432 H GLU 58 HN GLU 58 11.699 6.561 8.861 433 HA GLU 58 HA GLU 58 13.237 8.021 8.009 434 HB2 GLU 58 HB2 GLU 58 14.227 5.683 6.380 435 HB3 GLU 58 HB1 GLU 58 15.153 7.070 6.938 436 HG2 GLU 58 HG2 GLU 58 14.862 6.338 9.244 437 HG3 GLU 58 HG1 GLU 58 13.929 4.956 8.673 438 H GLY 59 HN GLY 59 10.767 8.082 6.623 439 HA2 GLY 59 HA2 GLY 59 10.074 9.341 4.777 440 HA3 GLY 59 HA1 GLY 59 11.688 9.196 4.100 441 H ILE 60 HN ILE 60 10.909 6.148 4.968 442 HA ILE 60 HA ILE 60 9.979 5.485 2.271 443 HB ILE 60 HB ILE 60 10.659 3.404 4.256 444 HG12 ILE 60 HG12 ILE 60 12.671 4.853 2.613 445 HG13 ILE 60 HG11 ILE 60 12.490 5.076 4.348 446 HG21 ILE 60 HG21 ILE 60 9.709 3.214 1.830 447 HG22 ILE 60 HG22 ILE 60 10.943 2.101 2.393 448 HG23 ILE 60 HG23 ILE 60 11.394 3.463 1.373 449 HD11 ILE 60 HD11 ILE 60 13.460 2.708 2.836 450 HD12 ILE 60 HD12 ILE 60 12.728 2.574 4.426 451 HD13 ILE 60 HD13 ILE 60 14.184 3.547 4.219 452 H LEU 61 HN LEU 61 8.112 4.273 1.939 453 HA LEU 61 HA LEU 61 6.513 3.613 4.324 454 HB2 LEU 61 HB2 LEU 61 5.726 4.780 1.985 455 HB3 LEU 61 HB1 LEU 61 5.441 3.092 1.614 456 HG LEU 61 HG LEU 61 3.947 2.897 3.536 457 HD11 LEU 61 HD11 LEU 61 4.477 5.841 3.938 458 HD12 LEU 61 HD12 LEU 61 5.022 4.541 4.999 459 HD13 LEU 61 HD13 LEU 61 3.298 4.868 4.817 460 HD21 LEU 61 HD21 LEU 61 3.318 5.244 1.750 461 HD22 LEU 61 HD22 LEU 61 2.147 4.333 2.703 462 HD23 LEU 61 HD23 LEU 61 3.016 3.545 1.386 463 H HIS 62 HN HIS 62 6.750 1.479 5.035 464 HA HIS 62 HA HIS 62 8.206 -0.248 3.138 465 HB2 HIS 62 HB2 HIS 62 9.456 0.774 5.142 466 HB3 HIS 62 HB1 HIS 62 8.551 -0.374 6.121 467 HD1 HIS 62 HD1 HIS 62 10.826 -0.458 3.067 468 HD2 HIS 62 HD2 HIS 62 9.823 -2.754 6.388 469 HE1 HIS 62 HE1 HIS 62 12.360 -2.445 3.006 470 HE2 HIS 62 HE2 HIS 62 11.583 -3.920 4.887 471 H ALA 63 HN ALA 63 7.495 -2.183 2.751 472 HA ALA 63 HA ALA 63 5.443 -3.404 4.444 473 HB1 ALA 63 HB1 ALA 63 4.550 -3.915 2.461 474 HB2 ALA 63 HB2 ALA 63 5.928 -4.976 2.178 475 HB3 ALA 63 HB3 ALA 63 5.972 -3.311 1.612 476 HA PRO 64 HA PRO 64 8.216 -6.314 6.200 477 HB2 PRO 64 HB2 PRO 64 6.659 -8.624 5.203 478 HB3 PRO 64 HB1 PRO 64 7.018 -8.141 6.866 479 HG2 PRO 64 HG2 PRO 64 4.569 -7.828 5.881 480 HG3 PRO 64 HG1 PRO 64 5.289 -6.579 6.919 481 HD2 PRO 64 HD2 PRO 64 5.107 -6.671 3.919 482 HD3 PRO 64 HD1 PRO 64 4.699 -5.323 5.018 483 H ASP 65 HN ASP 65 9.693 -8.117 5.791 484 HA ASP 65 HA ASP 65 11.420 -7.634 3.755 485 HB2 ASP 65 HB2 ASP 65 10.837 -9.891 5.534 486 HB3 ASP 65 HB1 ASP 65 11.746 -10.330 4.096 487 H ALA 66 HN ALA 66 8.898 -10.040 3.779 488 HA ALA 66 HA ALA 66 9.496 -10.842 1.038 489 HB1 ALA 66 HB1 ALA 66 7.569 -12.500 1.875 490 HB2 ALA 66 HB2 ALA 66 8.223 -11.950 3.432 491 HB3 ALA 66 HB3 ALA 66 9.281 -12.738 2.252 492 H GLY 67 HN GLY 67 6.954 -9.495 3.085 493 HA2 GLY 67 HA2 GLY 67 5.113 -8.308 2.517 494 HA3 GLY 67 HA1 GLY 67 5.586 -8.408 0.830 495 H TRP 68 HN TRP 68 3.030 -8.736 2.139 496 HA TRP 68 HA TRP 68 2.145 -11.406 2.008 497 HB2 TRP 68 HB2 TRP 68 0.277 -9.226 1.292 498 HB3 TRP 68 HB1 TRP 68 0.141 -10.456 2.538 499 HD1 TRP 68 HD1 TRP 68 0.881 -9.822 4.976 500 HE1 TRP 68 HE1 TRP 68 1.619 -7.626 6.073 501 HE3 TRP 68 HE3 TRP 68 1.612 -6.972 0.795 502 HZ2 TRP 68 HZ2 TRP 68 2.359 -5.028 5.312 503 HZ3 TRP 68 HZ3 TRP 68 2.324 -4.636 1.065 504 HH2 TRP 68 HH2 TRP 68 2.697 -3.687 3.283 505 H GLY 69 HN GLY 69 1.813 -8.631 -0.119 506 HA2 GLY 69 HA2 GLY 69 2.825 -9.753 -2.399 507 HA3 GLY 69 HA1 GLY 69 1.111 -10.108 -2.364 508 H ASN 70 HN ASN 70 -0.375 -8.397 -2.166 509 HA ASN 70 HA ASN 70 0.503 -5.867 -3.289 510 HB2 ASN 70 HB2 ASN 70 -1.400 -6.215 -5.035 511 HB3 ASN 70 HB1 ASN 70 0.236 -6.764 -5.355 512 HD21 ASN 70 HD21 ASN 70 -0.547 -8.218 -6.863 513 HD22 ASN 70 HD22 ASN 70 -1.369 -9.667 -6.423 514 H LEU 71 HN LEU 71 -2.411 -7.779 -2.790 515 HA LEU 71 HA LEU 71 -4.421 -7.248 -1.940 516 HB2 LEU 71 HB2 LEU 71 -2.894 -5.395 -0.178 517 HB3 LEU 71 HB1 LEU 71 -4.432 -6.161 0.165 518 HG LEU 71 HG LEU 71 -3.044 -7.431 1.473 519 HD11 LEU 71 HD11 LEU 71 -2.522 -9.567 0.355 520 HD12 LEU 71 HD12 LEU 71 -2.940 -8.813 -1.184 521 HD13 LEU 71 HD13 LEU 71 -4.164 -8.993 0.073 522 HD21 LEU 71 HD21 LEU 71 -0.943 -6.641 1.274 523 HD22 LEU 71 HD22 LEU 71 -0.979 -6.688 -0.486 524 HD23 LEU 71 HD23 LEU 71 -0.733 -8.179 0.431 525 H VAL 72 HN VAL 72 -5.734 -5.424 -1.097 526 HA VAL 72 HA VAL 72 -5.581 -3.386 -3.202 527 HB VAL 72 HB VAL 72 -7.561 -4.644 -3.340 528 HG11 VAL 72 HG11 VAL 72 -8.427 -4.122 -0.552 529 HG12 VAL 72 HG12 VAL 72 -7.110 -5.287 -0.797 530 HG13 VAL 72 HG13 VAL 72 -8.691 -5.540 -1.580 531 HG21 VAL 72 HG21 VAL 72 -9.245 -2.987 -3.074 532 HG22 VAL 72 HG22 VAL 72 -7.729 -2.149 -3.437 533 HG23 VAL 72 HG23 VAL 72 -8.342 -2.190 -1.784 534 H TYR 73 HN TYR 73 -4.354 -1.788 -2.331 535 HA TYR 73 HA TYR 73 -4.680 -1.005 0.380 536 HB2 TYR 73 HB2 TYR 73 -3.276 0.406 -1.876 537 HB3 TYR 73 HB1 TYR 73 -3.142 0.807 -0.167 538 HD1 TYR 73 HD1 TYR 73 -0.997 -0.017 -2.213 539 HD2 TYR 73 HD2 TYR 73 -3.118 -2.151 0.771 540 HE1 TYR 73 HE1 TYR 73 0.874 -1.589 -2.020 541 HE2 TYR 73 HE2 TYR 73 -1.243 -3.729 0.995 542 HH TYR 73 HH TYR 73 0.647 -4.539 -0.503 543 H VAL 74 HN VAL 74 -5.523 0.715 1.238 544 HA VAL 74 HA VAL 74 -7.390 2.346 -0.307 545 HB VAL 74 HB VAL 74 -7.270 1.262 2.471 546 HG11 VAL 74 HG11 VAL 74 -8.772 3.797 1.753 547 HG12 VAL 74 HG12 VAL 74 -7.426 3.669 2.888 548 HG13 VAL 74 HG13 VAL 74 -8.965 2.885 3.253 549 HG21 VAL 74 HG21 VAL 74 -9.673 0.924 2.054 550 HG22 VAL 74 HG22 VAL 74 -8.621 0.163 0.858 551 HG23 VAL 74 HG23 VAL 74 -9.468 1.658 0.461 552 H VAL 75 HN VAL 75 -7.452 4.687 0.585 553 HA VAL 75 HA VAL 75 -4.616 5.448 0.674 554 HB VAL 75 HB VAL 75 -6.773 6.273 -1.208 555 HG11 VAL 75 HG11 VAL 75 -5.620 8.338 -1.767 556 HG12 VAL 75 HG12 VAL 75 -4.594 8.145 -0.347 557 HG13 VAL 75 HG13 VAL 75 -6.330 8.386 -0.155 558 HG21 VAL 75 HG21 VAL 75 -3.785 6.042 -1.472 559 HG22 VAL 75 HG22 VAL 75 -4.968 6.198 -2.773 560 HG23 VAL 75 HG23 VAL 75 -4.934 4.739 -1.785 561 H ASN 76 HN ASN 76 -4.125 6.393 2.469 562 HA ASN 76 HA ASN 76 -6.089 8.184 3.747 563 HB2 ASN 76 HB2 ASN 76 -5.782 5.884 4.803 564 HB3 ASN 76 HB1 ASN 76 -4.145 6.384 5.181 565 HD21 ASN 76 HD21 ASN 76 -4.763 5.951 7.349 566 HD22 ASN 76 HD22 ASN 76 -5.629 7.137 8.255 567 H TYR 77 HN TYR 77 -5.271 10.197 4.094 568 HA TYR 77 HA TYR 77 -2.501 10.468 4.904 569 HB2 TYR 77 HB2 TYR 77 -2.561 12.621 3.409 570 HB3 TYR 77 HB1 TYR 77 -1.913 11.099 2.834 571 HD1 TYR 77 HD1 TYR 77 -3.058 9.838 1.154 572 HD2 TYR 77 HD2 TYR 77 -4.736 13.465 2.603 573 HE1 TYR 77 HE1 TYR 77 -4.647 9.818 -0.720 574 HE2 TYR 77 HE2 TYR 77 -6.327 13.486 0.724 575 HH TYR 77 HH TYR 77 -6.885 10.812 -1.243 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 12.909 -7.398 -8.197 2 H2 MET 1 HT2 MET 1 13.034 -6.914 -9.815 3 H3 MET 1 HT3 MET 1 13.350 -8.522 -9.383 4 HA MET 1 HA MET 1 10.732 -7.157 -9.190 5 HB2 MET 1 HB2 MET 1 11.686 -9.366 -11.025 6 HB3 MET 1 HB1 MET 1 10.047 -8.731 -10.955 7 HG2 MET 1 HG2 MET 1 10.869 -6.547 -11.685 8 HG3 MET 1 HG1 MET 1 12.504 -7.199 -11.774 9 HE1 MET 1 HE1 MET 1 12.097 -9.895 -14.614 10 HE2 MET 1 HE2 MET 1 11.895 -10.148 -12.881 11 HE3 MET 1 HE3 MET 1 13.220 -9.147 -13.477 12 H SER 2 HN SER 2 10.450 -7.807 -7.030 13 HA SER 2 HA SER 2 10.262 -10.720 -6.660 14 HB2 SER 2 HB2 SER 2 10.371 -10.131 -4.182 15 HB3 SER 2 HB1 SER 2 11.851 -9.868 -5.105 16 HG SER 2 HG SER 2 10.791 -8.128 -3.598 17 H GLU 3 HN GLU 3 8.839 -8.095 -4.790 18 HA GLU 3 HA GLU 3 6.209 -9.208 -5.340 19 HB2 GLU 3 HB2 GLU 3 7.269 -7.759 -2.941 20 HB3 GLU 3 HB1 GLU 3 5.553 -8.051 -3.183 21 HG2 GLU 3 HG2 GLU 3 7.736 -10.070 -2.819 22 HG3 GLU 3 HG1 GLU 3 6.438 -9.692 -1.693 23 H TYR 4 HN TYR 4 4.451 -7.751 -5.652 24 HA TYR 4 HA TYR 4 5.189 -4.945 -5.998 25 HB2 TYR 4 HB2 TYR 4 3.935 -4.787 -8.035 26 HB3 TYR 4 HB1 TYR 4 5.007 -6.170 -8.222 27 HD1 TYR 4 HD1 TYR 4 1.564 -5.153 -7.522 28 HD2 TYR 4 HD2 TYR 4 4.119 -8.355 -8.601 29 HE1 TYR 4 HE1 TYR 4 -0.400 -6.499 -8.053 30 HE2 TYR 4 HE2 TYR 4 2.161 -9.748 -9.137 31 HH TYR 4 HH TYR 4 -1.013 -8.464 -9.376 32 H ILE 5 HN ILE 5 3.037 -3.636 -5.948 33 HA ILE 5 HA ILE 5 1.293 -4.911 -3.981 34 HB ILE 5 HB ILE 5 1.296 -3.128 -2.521 35 HG12 ILE 5 HG12 ILE 5 1.277 -1.288 -4.198 36 HG13 ILE 5 HG11 ILE 5 2.311 -0.967 -2.813 37 HG21 ILE 5 HG21 ILE 5 3.623 -2.877 -1.807 38 HG22 ILE 5 HG22 ILE 5 4.147 -3.521 -3.364 39 HG23 ILE 5 HG23 ILE 5 3.227 -4.537 -2.251 40 HD11 ILE 5 HD11 ILE 5 3.358 -0.241 -4.863 41 HD12 ILE 5 HD12 ILE 5 3.206 -1.864 -5.526 42 HD13 ILE 5 HD13 ILE 5 4.264 -1.576 -4.152 43 H ARG 6 HN ARG 6 -0.843 -3.773 -3.688 44 HA ARG 6 HA ARG 6 -1.485 -2.377 -6.182 45 HB2 ARG 6 HB2 ARG 6 -2.573 -4.444 -6.325 46 HB3 ARG 6 HB1 ARG 6 -2.927 -4.483 -4.587 47 HG2 ARG 6 HG2 ARG 6 -4.803 -3.178 -4.913 48 HG3 ARG 6 HG1 ARG 6 -4.177 -2.460 -6.414 49 HD2 ARG 6 HD2 ARG 6 -4.119 -4.972 -7.132 50 HD3 ARG 6 HD1 ARG 6 -5.396 -5.104 -5.955 51 HE ARG 6 HE ARG 6 -5.626 -3.038 -7.949 52 HH11 ARG 6 HH11 ARG 6 -6.528 -6.255 -6.921 53 HH12 ARG 6 HH12 ARG 6 -7.919 -6.347 -7.969 54 HH21 ARG 6 HH21 ARG 6 -7.457 -3.141 -9.354 55 HH22 ARG 6 HH22 ARG 6 -8.429 -4.580 -9.364 56 H VAL 7 HN VAL 7 -2.534 -0.396 -5.951 57 HA VAL 7 HA VAL 7 -3.224 0.401 -3.193 58 HB VAL 7 HB VAL 7 -1.842 2.292 -5.074 59 HG11 VAL 7 HG11 VAL 7 -1.265 3.474 -3.025 60 HG12 VAL 7 HG12 VAL 7 -2.086 2.233 -2.078 61 HG13 VAL 7 HG13 VAL 7 -3.008 3.254 -3.182 62 HG21 VAL 7 HG21 VAL 7 0.287 1.831 -3.934 63 HG22 VAL 7 HG22 VAL 7 -0.300 0.442 -4.849 64 HG23 VAL 7 HG23 VAL 7 -0.473 0.479 -3.094 65 H THR 8 HN THR 8 -5.029 1.714 -3.035 66 HA THR 8 HA THR 8 -5.663 3.428 -5.251 67 HB THR 8 HB THR 8 -6.930 1.572 -5.942 68 HG1 THR 8 HG1 THR 8 -8.228 3.182 -6.381 69 HG21 THR 8 HG21 THR 8 -8.197 0.236 -4.665 70 HG22 THR 8 HG22 THR 8 -8.598 1.493 -3.492 71 HG23 THR 8 HG23 THR 8 -7.013 0.714 -3.450 72 H GLU 9 HN GLU 9 -7.437 4.992 -4.652 73 HA GLU 9 HA GLU 9 -7.008 5.980 -2.008 74 HB2 GLU 9 HB2 GLU 9 -7.481 7.440 -3.929 75 HB3 GLU 9 HB1 GLU 9 -9.094 6.769 -4.047 76 HG2 GLU 9 HG2 GLU 9 -8.598 7.731 -1.396 77 HG3 GLU 9 HG1 GLU 9 -8.233 8.985 -2.579 78 H ASP 10 HN ASP 10 -9.747 4.590 -3.716 79 HA ASP 10 HA ASP 10 -10.987 4.089 -1.110 80 HB2 ASP 10 HB2 ASP 10 -12.236 5.643 -2.726 81 HB3 ASP 10 HB1 ASP 10 -12.450 4.216 -3.732 82 H GLU 11 HN GLU 11 -11.968 2.163 -0.874 83 HA GLU 11 HA GLU 11 -10.462 -0.041 -1.774 84 HB2 GLU 11 HB2 GLU 11 -13.173 -0.476 -0.641 85 HB3 GLU 11 HB1 GLU 11 -11.635 -1.172 -0.138 86 HG2 GLU 11 HG2 GLU 11 -11.080 1.078 0.825 87 HG3 GLU 11 HG1 GLU 11 -12.741 1.545 0.505 88 H ASN 12 HN ASN 12 -13.184 1.642 -2.876 89 HA ASN 12 HA ASN 12 -13.383 -0.206 -5.138 90 HB2 ASN 12 HB2 ASN 12 -15.348 -0.267 -3.572 91 HB3 ASN 12 HB1 ASN 12 -15.697 1.359 -4.119 92 HD21 ASN 12 HD21 ASN 12 -15.589 -1.984 -4.949 93 HD22 ASN 12 HD22 ASN 12 -16.523 -1.872 -6.396 94 H ASP 13 HN ASP 13 -11.724 2.283 -4.756 95 HA ASP 13 HA ASP 13 -12.893 4.041 -6.768 96 HB2 ASP 13 HB2 ASP 13 -11.072 4.744 -4.969 97 HB3 ASP 13 HB1 ASP 13 -9.955 4.025 -6.099 98 H GLU 14 HN GLU 14 -9.781 3.833 -7.567 99 HA GLU 14 HA GLU 14 -10.060 1.441 -9.281 100 HB2 GLU 14 HB2 GLU 14 -9.883 3.757 -10.368 101 HB3 GLU 14 HB1 GLU 14 -8.206 3.724 -9.851 102 HG2 GLU 14 HG2 GLU 14 -8.470 2.966 -12.152 103 HG3 GLU 14 HG1 GLU 14 -7.793 1.718 -11.118 104 HA PRO 15 HA PRO 15 -6.536 0.436 -6.525 105 HB2 PRO 15 HB2 PRO 15 -7.085 -2.181 -6.322 106 HB3 PRO 15 HB1 PRO 15 -7.872 -0.973 -5.301 107 HG2 PRO 15 HG2 PRO 15 -8.809 -2.266 -7.790 108 HG3 PRO 15 HG1 PRO 15 -9.678 -2.030 -6.259 109 HD2 PRO 15 HD2 PRO 15 -10.054 -0.427 -8.412 110 HD3 PRO 15 HD1 PRO 15 -10.152 0.183 -6.746 111 H ILE 16 HN ILE 16 -4.615 -0.221 -7.349 112 HA ILE 16 HA ILE 16 -4.648 -1.361 -10.045 113 HB ILE 16 HB ILE 16 -2.769 0.247 -10.554 114 HG12 ILE 16 HG12 ILE 16 -3.039 0.824 -7.830 115 HG13 ILE 16 HG11 ILE 16 -2.046 1.687 -8.984 116 HG21 ILE 16 HG21 ILE 16 -4.279 2.049 -11.144 117 HG22 ILE 16 HG22 ILE 16 -5.471 1.411 -10.014 118 HG23 ILE 16 HG23 ILE 16 -5.032 0.478 -11.445 119 HD11 ILE 16 HD11 ILE 16 -3.342 3.304 -7.855 120 HD12 ILE 16 HD12 ILE 16 -4.823 2.360 -8.063 121 HD13 ILE 16 HD13 ILE 16 -4.060 3.136 -9.460 122 H GLU 17 HN GLU 17 -3.135 -2.864 -10.446 123 HA GLU 17 HA GLU 17 -1.306 -3.602 -8.316 124 HB2 GLU 17 HB2 GLU 17 -1.655 -4.815 -11.050 125 HB3 GLU 17 HB1 GLU 17 -0.740 -5.486 -9.704 126 HG2 GLU 17 HG2 GLU 17 -2.734 -5.819 -8.429 127 HG3 GLU 17 HG1 GLU 17 -3.699 -4.957 -9.623 128 H ILE 18 HN ILE 18 0.711 -2.956 -8.200 129 HA ILE 18 HA ILE 18 2.073 -1.937 -10.581 130 HB ILE 18 HB ILE 18 2.831 0.097 -9.330 131 HG12 ILE 18 HG12 ILE 18 0.553 -0.607 -7.466 132 HG13 ILE 18 HG11 ILE 18 2.263 -0.692 -7.055 133 HG21 ILE 18 HG21 ILE 18 1.132 0.246 -11.053 134 HG22 ILE 18 HG22 ILE 18 0.789 1.384 -9.749 135 HG23 ILE 18 HG23 ILE 18 -0.126 -0.120 -9.872 136 HD11 ILE 18 HD11 ILE 18 0.751 1.805 -7.795 137 HD12 ILE 18 HD12 ILE 18 2.459 1.719 -7.364 138 HD13 ILE 18 HD13 ILE 18 1.226 1.323 -6.166 139 HA PRO 19 HA PRO 19 5.478 -4.033 -8.711 140 HB2 PRO 19 HB2 PRO 19 7.511 -2.874 -10.092 141 HB3 PRO 19 HB1 PRO 19 6.435 -4.087 -10.795 142 HG2 PRO 19 HG2 PRO 19 6.369 -1.108 -11.070 143 HG3 PRO 19 HG1 PRO 19 6.108 -2.353 -12.304 144 HD2 PRO 19 HD2 PRO 19 4.067 -1.027 -11.103 145 HD3 PRO 19 HD1 PRO 19 3.921 -2.701 -11.674 146 H SER 20 HN SER 20 6.666 -3.742 -6.928 147 HA SER 20 HA SER 20 7.256 -0.986 -6.087 148 HB2 SER 20 HB2 SER 20 7.348 -2.074 -3.758 149 HB3 SER 20 HB1 SER 20 5.760 -1.906 -4.504 150 HG SER 20 HG SER 20 7.263 -4.270 -4.847 151 H GLU 21 HN GLU 21 9.203 -0.887 -4.542 152 HA GLU 21 HA GLU 21 11.480 -1.933 -5.889 153 HB2 GLU 21 HB2 GLU 21 11.340 0.237 -4.593 154 HB3 GLU 21 HB1 GLU 21 11.430 -0.746 -3.145 155 HG2 GLU 21 HG2 GLU 21 13.599 0.207 -3.797 156 HG3 GLU 21 HG1 GLU 21 13.605 -1.556 -3.751 157 H ASP 22 HN ASP 22 12.762 -3.588 -5.423 158 HA ASP 22 HA ASP 22 11.673 -5.940 -4.437 159 HB2 ASP 22 HB2 ASP 22 14.520 -5.103 -4.748 160 HB3 ASP 22 HB1 ASP 22 14.033 -6.760 -4.441 161 H ASP 23 HN ASP 23 13.092 -3.381 -2.717 162 HA ASP 23 HA ASP 23 13.968 -4.897 -0.429 163 HB2 ASP 23 HB2 ASP 23 13.357 -1.956 -0.627 164 HB3 ASP 23 HB1 ASP 23 14.229 -2.765 0.669 165 H GLY 24 HN GLY 24 11.138 -4.447 -1.765 166 HA2 GLY 24 HA2 GLY 24 8.983 -4.822 -1.050 167 HA3 GLY 24 HA1 GLY 24 9.593 -5.088 0.582 168 H THR 25 HN THR 25 10.315 -2.216 -1.232 169 HA THR 25 HA THR 25 8.689 -0.675 0.650 170 HB THR 25 HB THR 25 11.368 -1.094 0.996 171 HG1 THR 25 HG1 THR 25 11.083 1.130 2.136 172 HG21 THR 25 HG21 THR 25 11.644 0.308 -1.124 173 HG22 THR 25 HG22 THR 25 12.673 0.666 0.257 174 HG23 THR 25 HG23 THR 25 11.275 1.684 -0.093 175 H VAL 26 HN VAL 26 8.600 1.637 0.029 176 HA VAL 26 HA VAL 26 9.127 2.265 -2.734 177 HB VAL 26 HB VAL 26 6.728 3.339 -2.672 178 HG11 VAL 26 HG11 VAL 26 5.858 1.347 -3.842 179 HG12 VAL 26 HG12 VAL 26 7.249 0.431 -3.253 180 HG13 VAL 26 HG13 VAL 26 7.487 1.775 -4.372 181 HG21 VAL 26 HG21 VAL 26 6.040 2.705 -0.513 182 HG22 VAL 26 HG22 VAL 26 6.574 1.047 -0.775 183 HG23 VAL 26 HG23 VAL 26 5.156 1.658 -1.629 184 H LEU 27 HN LEU 27 9.379 4.475 -3.086 185 HA LEU 27 HA LEU 27 10.008 6.111 -0.842 186 HB2 LEU 27 HB2 LEU 27 11.286 6.602 -2.672 187 HB3 LEU 27 HB1 LEU 27 9.998 6.307 -3.801 188 HG LEU 27 HG LEU 27 9.194 8.486 -3.616 189 HD11 LEU 27 HD11 LEU 27 10.707 8.593 -1.067 190 HD12 LEU 27 HD12 LEU 27 9.033 9.018 -1.462 191 HD13 LEU 27 HD13 LEU 27 10.352 10.080 -1.960 192 HD21 LEU 27 HD21 LEU 27 11.218 9.880 -4.009 193 HD22 LEU 27 HD22 LEU 27 11.126 8.397 -4.958 194 HD23 LEU 27 HD23 LEU 27 12.194 8.479 -3.555 195 H LEU 28 HN LEU 28 8.600 7.004 0.469 196 HA LEU 28 HA LEU 28 5.831 6.716 0.008 197 HB2 LEU 28 HB2 LEU 28 6.065 6.648 2.229 198 HB3 LEU 28 HB1 LEU 28 7.693 7.276 2.075 199 HG LEU 28 HG LEU 28 6.664 9.563 1.985 200 HD11 LEU 28 HD11 LEU 28 4.468 9.812 3.074 201 HD12 LEU 28 HD12 LEU 28 4.289 8.057 3.080 202 HD13 LEU 28 HD13 LEU 28 4.356 8.931 1.550 203 HD21 LEU 28 HD21 LEU 28 6.488 9.698 4.436 204 HD22 LEU 28 HD22 LEU 28 7.883 8.755 3.910 205 HD23 LEU 28 HD23 LEU 28 6.441 7.937 4.510 206 H SER 29 HN SER 29 7.986 9.467 0.264 207 HA SER 29 HA SER 29 6.151 11.523 -0.035 208 HB2 SER 29 HB2 SER 29 9.034 11.563 -0.954 209 HB3 SER 29 HB1 SER 29 8.048 12.949 -0.484 210 HG SER 29 HG SER 29 7.973 12.102 1.631 211 H THR 30 HN THR 30 7.913 9.620 -2.451 212 HA THR 30 HA THR 30 7.077 11.269 -4.619 213 HB THR 30 HB THR 30 8.985 9.551 -4.670 214 HG1 THR 30 HG1 THR 30 8.242 9.054 -7.025 215 HG21 THR 30 HG21 THR 30 7.595 7.717 -3.967 216 HG22 THR 30 HG22 THR 30 8.444 7.374 -5.481 217 HG23 THR 30 HG23 THR 30 6.722 7.783 -5.501 218 H VAL 31 HN VAL 31 5.868 8.590 -2.869 219 HA VAL 31 HA VAL 31 3.881 7.889 -4.665 220 HB VAL 31 HB VAL 31 4.294 7.292 -1.756 221 HG11 VAL 31 HG11 VAL 31 2.342 5.823 -1.771 222 HG12 VAL 31 HG12 VAL 31 1.921 6.385 -3.389 223 HG13 VAL 31 HG13 VAL 31 1.867 7.502 -2.025 224 HG21 VAL 31 HG21 VAL 31 4.923 5.202 -2.484 225 HG22 VAL 31 HG22 VAL 31 5.451 6.216 -3.833 226 HG23 VAL 31 HG23 VAL 31 3.948 5.304 -3.950 227 H THR 32 HN THR 32 3.954 10.056 -1.864 228 HA THR 32 HA THR 32 1.206 10.689 -1.908 229 HB THR 32 HB THR 32 1.578 11.833 -0.049 230 HG1 THR 32 HG1 THR 32 2.104 13.700 -1.367 231 HG21 THR 32 HG21 THR 32 3.553 10.139 -0.192 232 HG22 THR 32 HG22 THR 32 3.468 11.328 1.117 233 HG23 THR 32 HG23 THR 32 4.532 11.608 -0.265 234 H ALA 33 HN ALA 33 3.791 11.764 -3.906 235 HA ALA 33 HA ALA 33 2.881 14.198 -4.869 236 HB1 ALA 33 HB1 ALA 33 4.079 12.183 -6.675 237 HB2 ALA 33 HB2 ALA 33 4.987 12.929 -5.375 238 HB3 ALA 33 HB3 ALA 33 4.314 13.934 -6.650 239 H GLN 34 HN GLN 34 0.534 12.893 -4.502 240 HA GLN 34 HA GLN 34 -1.023 13.240 -6.763 241 HB2 GLN 34 HB2 GLN 34 -1.450 10.840 -7.307 242 HB3 GLN 34 HB1 GLN 34 0.148 11.431 -7.790 243 HG2 GLN 34 HG2 GLN 34 0.457 10.427 -5.240 244 HG3 GLN 34 HG1 GLN 34 -0.568 9.250 -6.072 245 HE21 GLN 34 HE21 GLN 34 2.555 10.920 -6.129 246 HE22 GLN 34 HE22 GLN 34 3.327 9.789 -7.194 247 H PHE 35 HN PHE 35 -2.989 11.421 -6.465 248 HA PHE 35 HA PHE 35 -3.467 11.244 -3.577 249 HB2 PHE 35 HB2 PHE 35 -5.182 11.252 -6.036 250 HB3 PHE 35 HB1 PHE 35 -5.816 10.661 -4.505 251 HD1 PHE 35 HD1 PHE 35 -3.797 13.617 -5.602 252 HD2 PHE 35 HD2 PHE 35 -7.180 12.182 -3.453 253 HE1 PHE 35 HE1 PHE 35 -4.377 15.924 -4.975 254 HE2 PHE 35 HE2 PHE 35 -7.759 14.488 -2.821 255 HZ PHE 35 HZ PHE 35 -6.357 16.362 -3.582 256 HA PRO 36 HA PRO 36 -3.027 6.814 -4.385 257 HB2 PRO 36 HB2 PRO 36 -0.661 6.349 -3.439 258 HB3 PRO 36 HB1 PRO 36 -0.788 7.377 -4.878 259 HG2 PRO 36 HG2 PRO 36 -0.322 8.164 -2.024 260 HG3 PRO 36 HG1 PRO 36 0.363 8.856 -3.506 261 HD2 PRO 36 HD2 PRO 36 -1.946 9.729 -2.062 262 HD3 PRO 36 HD1 PRO 36 -1.304 10.388 -3.589 263 H GLY 37 HN GLY 37 -3.615 8.600 -1.651 264 HA2 GLY 37 HA2 GLY 37 -4.150 7.712 0.543 265 HA3 GLY 37 HA1 GLY 37 -2.995 6.414 0.241 266 H ALA 38 HN ALA 38 -1.189 8.399 -1.012 267 HA ALA 38 HA ALA 38 0.425 9.909 -0.642 268 HB1 ALA 38 HB1 ALA 38 -0.004 11.687 1.039 269 HB2 ALA 38 HB2 ALA 38 -1.474 10.820 1.491 270 HB3 ALA 38 HB3 ALA 38 -1.294 11.457 -0.142 271 H SER 39 HN SER 39 -0.537 9.367 2.789 272 HA SER 39 HA SER 39 2.296 8.770 3.272 273 HB2 SER 39 HB2 SER 39 1.972 11.151 3.666 274 HB3 SER 39 HB1 SER 39 0.616 10.798 4.729 275 HG SER 39 HG SER 39 2.526 9.408 5.738 276 H GLY 40 HN GLY 40 -1.015 8.349 4.006 277 HA2 GLY 40 HA2 GLY 40 -0.312 6.492 6.176 278 HA3 GLY 40 HA1 GLY 40 -1.862 7.309 5.983 279 H LEU 41 HN LEU 41 -1.382 4.443 6.166 280 HA LEU 41 HA LEU 41 -2.691 3.905 3.622 281 HB2 LEU 41 HB2 LEU 41 -0.288 2.669 4.624 282 HB3 LEU 41 HB1 LEU 41 -1.562 1.482 4.422 283 HG LEU 41 HG LEU 41 -0.274 1.554 2.428 284 HD11 LEU 41 HD11 LEU 41 -1.994 2.072 0.795 285 HD12 LEU 41 HD12 LEU 41 -2.891 2.975 2.016 286 HD13 LEU 41 HD13 LEU 41 -2.672 1.234 2.190 287 HD21 LEU 41 HD21 LEU 41 0.662 3.802 2.676 288 HD22 LEU 41 HD22 LEU 41 -0.934 4.494 2.346 289 HD23 LEU 41 HD23 LEU 41 -0.076 3.597 1.082 290 H ARG 42 HN ARG 42 -4.377 2.578 3.591 291 HA ARG 42 HA ARG 42 -4.697 0.734 5.847 292 HB2 ARG 42 HB2 ARG 42 -6.951 1.957 4.289 293 HB3 ARG 42 HB1 ARG 42 -7.086 0.808 5.616 294 HG2 ARG 42 HG2 ARG 42 -6.089 2.448 7.133 295 HG3 ARG 42 HG1 ARG 42 -6.011 3.601 5.775 296 HD2 ARG 42 HD2 ARG 42 -8.355 3.526 5.490 297 HD3 ARG 42 HD1 ARG 42 -8.545 2.282 6.740 298 HE ARG 42 HE ARG 42 -7.417 4.207 8.169 299 HH11 ARG 42 HH11 ARG 42 -9.958 4.494 5.771 300 HH12 ARG 42 HH12 ARG 42 -10.687 5.881 6.519 301 HH21 ARG 42 HH21 ARG 42 -8.375 6.017 9.156 302 HH22 ARG 42 HH22 ARG 42 -9.796 6.737 8.461 303 H TYR 43 HN TYR 43 -5.526 -1.416 5.023 304 HA TYR 43 HA TYR 43 -6.233 -1.430 2.227 305 HB2 TYR 43 HB2 TYR 43 -4.670 -3.124 1.533 306 HB3 TYR 43 HB1 TYR 43 -3.820 -1.702 2.149 307 HD1 TYR 43 HD1 TYR 43 -2.578 -1.828 4.232 308 HD2 TYR 43 HD2 TYR 43 -4.572 -5.256 2.710 309 HE1 TYR 43 HE1 TYR 43 -1.330 -3.239 5.795 310 HE2 TYR 43 HE2 TYR 43 -3.314 -6.686 4.267 311 HH TYR 43 HH TYR 43 -1.284 -6.657 5.567 312 H ARG 44 HN ARG 44 -6.960 -3.493 1.467 313 HA ARG 44 HA ARG 44 -8.108 -5.126 3.621 314 HB2 ARG 44 HB2 ARG 44 -9.097 -4.676 0.800 315 HB3 ARG 44 HB1 ARG 44 -9.762 -5.880 1.894 316 HG2 ARG 44 HG2 ARG 44 -10.212 -3.955 3.491 317 HG3 ARG 44 HG1 ARG 44 -9.869 -2.890 2.126 318 HD2 ARG 44 HD2 ARG 44 -11.630 -4.035 0.832 319 HD3 ARG 44 HD1 ARG 44 -11.994 -5.028 2.243 320 HE ARG 44 HE ARG 44 -12.192 -2.092 2.393 321 HH11 ARG 44 HH11 ARG 44 -13.676 -5.266 2.674 322 HH12 ARG 44 HH12 ARG 44 -15.170 -4.642 3.301 323 HH21 ARG 44 HH21 ARG 44 -14.157 -1.272 3.147 324 HH22 ARG 44 HH22 ARG 44 -15.454 -2.357 3.566 325 H ASN 45 HN ASN 45 -8.001 -7.346 3.431 326 HA ASN 45 HA ASN 45 -5.820 -8.305 1.736 327 HB2 ASN 45 HB2 ASN 45 -4.953 -7.728 3.939 328 HB3 ASN 45 HB1 ASN 45 -6.231 -8.662 4.711 329 HD21 ASN 45 HD21 ASN 45 -4.625 -9.786 5.846 330 HD22 ASN 45 HD22 ASN 45 -3.694 -11.042 5.095 331 HA PRO 46 HA PRO 46 -8.628 -11.365 0.249 332 HB2 PRO 46 HB2 PRO 46 -6.097 -12.947 0.467 333 HB3 PRO 46 HB1 PRO 46 -7.290 -12.914 -0.837 334 HG2 PRO 46 HG2 PRO 46 -5.030 -11.508 -1.009 335 HG3 PRO 46 HG1 PRO 46 -6.561 -10.875 -1.639 336 HD2 PRO 46 HD2 PRO 46 -5.018 -10.038 0.726 337 HD3 PRO 46 HD1 PRO 46 -6.217 -9.134 -0.212 338 H VAL 47 HN VAL 47 -6.694 -12.034 3.152 339 HA VAL 47 HA VAL 47 -8.302 -14.418 3.665 340 HB VAL 47 HB VAL 47 -6.051 -14.906 3.906 341 HG11 VAL 47 HG11 VAL 47 -4.945 -13.364 5.926 342 HG12 VAL 47 HG12 VAL 47 -5.745 -12.228 4.834 343 HG13 VAL 47 HG13 VAL 47 -4.534 -13.351 4.213 344 HG21 VAL 47 HG21 VAL 47 -7.226 -16.006 5.593 345 HG22 VAL 47 HG22 VAL 47 -7.352 -14.534 6.557 346 HG23 VAL 47 HG23 VAL 47 -5.791 -15.351 6.389 347 H SER 48 HN SER 48 -6.882 -12.417 6.126 348 HA SER 48 HA SER 48 -9.410 -12.502 7.476 349 HB2 SER 48 HB2 SER 48 -8.018 -11.662 9.411 350 HB3 SER 48 HB1 SER 48 -7.506 -13.209 8.715 351 HG SER 48 HG SER 48 -5.701 -11.920 8.979 352 H GLN 49 HN GLN 49 -7.728 -10.437 5.518 353 HA GLN 49 HA GLN 49 -8.036 -8.354 4.764 354 HB2 GLN 49 HB2 GLN 49 -10.359 -9.642 4.674 355 HB3 GLN 49 HB1 GLN 49 -10.771 -8.222 5.638 356 HG2 GLN 49 HG2 GLN 49 -10.559 -6.844 3.935 357 HG3 GLN 49 HG1 GLN 49 -9.050 -7.585 3.450 358 HE21 GLN 49 HE21 GLN 49 -9.371 -7.608 1.343 359 HE22 GLN 49 HE22 GLN 49 -10.541 -8.588 0.560 360 H SER 50 HN SER 50 -6.955 -8.074 7.100 361 HA SER 50 HA SER 50 -8.206 -6.303 8.901 362 HB2 SER 50 HB2 SER 50 -5.285 -6.232 8.562 363 HB3 SER 50 HB1 SER 50 -6.235 -6.336 10.039 364 HG SER 50 HG SER 50 -6.540 -8.495 9.715 365 H MET 51 HN MET 51 -8.850 -4.247 8.367 366 HA MET 51 HA MET 51 -7.642 -2.668 6.351 367 HB2 MET 51 HB2 MET 51 -8.613 -0.708 7.787 368 HB3 MET 51 HB1 MET 51 -9.706 -1.763 6.921 369 HG2 MET 51 HG2 MET 51 -10.144 -3.003 8.974 370 HG3 MET 51 HG1 MET 51 -8.988 -1.992 9.839 371 HE1 MET 51 HE1 MET 51 -9.584 0.849 8.490 372 HE2 MET 51 HE2 MET 51 -9.331 0.633 10.221 373 HE3 MET 51 HE3 MET 51 -10.739 1.523 9.640 374 H ARG 52 HN ARG 52 -5.439 -2.778 6.585 375 HA ARG 52 HA ARG 52 -4.371 -1.566 9.050 376 HB2 ARG 52 HB2 ARG 52 -3.916 -3.990 8.928 377 HB3 ARG 52 HB1 ARG 52 -3.106 -3.760 7.401 378 HG2 ARG 52 HG2 ARG 52 -1.564 -2.176 8.620 379 HG3 ARG 52 HG1 ARG 52 -2.243 -2.874 10.107 380 HD2 ARG 52 HD2 ARG 52 -1.757 -5.106 8.686 381 HD3 ARG 52 HD1 ARG 52 -0.466 -4.070 8.098 382 HE ARG 52 HE ARG 52 -0.867 -4.496 10.983 383 HH11 ARG 52 HH11 ARG 52 1.198 -4.546 8.165 384 HH12 ARG 52 HH12 ARG 52 2.623 -4.996 9.054 385 HH21 ARG 52 HH21 ARG 52 0.971 -5.112 12.155 386 HH22 ARG 52 HH22 ARG 52 2.484 -5.358 11.329 387 H GLY 53 HN GLY 53 -2.447 -0.404 8.815 388 HA2 GLY 53 HA2 GLY 53 -2.118 0.761 6.173 389 HA3 GLY 53 HA1 GLY 53 -1.599 1.492 7.683 390 H VAL 54 HN VAL 54 -0.053 1.512 5.595 391 HA VAL 54 HA VAL 54 1.871 -0.656 5.765 392 HB VAL 54 HB VAL 54 1.543 1.550 3.723 393 HG11 VAL 54 HG11 VAL 54 3.528 -0.726 3.755 394 HG12 VAL 54 HG12 VAL 54 3.913 0.979 3.993 395 HG13 VAL 54 HG13 VAL 54 3.291 0.423 2.438 396 HG21 VAL 54 HG21 VAL 54 0.883 -0.239 2.225 397 HG22 VAL 54 HG22 VAL 54 -0.142 -0.250 3.662 398 HG23 VAL 54 HG23 VAL 54 1.154 -1.434 3.493 399 H ARG 55 HN ARG 55 3.984 -0.312 6.332 400 HA ARG 55 HA ARG 55 4.488 1.558 8.315 401 HB2 ARG 55 HB2 ARG 55 5.639 -0.743 7.216 402 HB3 ARG 55 HB1 ARG 55 6.859 0.532 7.156 403 HG2 ARG 55 HG2 ARG 55 5.270 0.029 9.591 404 HG3 ARG 55 HG1 ARG 55 6.748 -0.858 9.238 405 HD2 ARG 55 HD2 ARG 55 7.877 1.322 8.853 406 HD3 ARG 55 HD1 ARG 55 6.422 2.095 9.458 407 HE ARG 55 HE ARG 55 7.322 0.212 11.357 408 HH11 ARG 55 HH11 ARG 55 8.109 3.390 10.102 409 HH12 ARG 55 HH12 ARG 55 9.009 3.858 11.511 410 HH21 ARG 55 HH21 ARG 55 8.508 0.824 13.197 411 HH22 ARG 55 HH22 ARG 55 9.286 2.383 13.248 412 H LEU 56 HN LEU 56 5.261 3.650 8.194 413 HA LEU 56 HA LEU 56 6.891 4.252 5.837 414 HB2 LEU 56 HB2 LEU 56 6.657 6.704 6.757 415 HB3 LEU 56 HB1 LEU 56 5.455 5.985 5.722 416 HG LEU 56 HG LEU 56 4.532 7.370 7.557 417 HD11 LEU 56 HD11 LEU 56 3.751 4.468 7.593 418 HD12 LEU 56 HD12 LEU 56 3.137 5.719 6.512 419 HD13 LEU 56 HD13 LEU 56 2.787 5.797 8.238 420 HD21 LEU 56 HD21 LEU 56 6.122 6.838 9.314 421 HD22 LEU 56 HD22 LEU 56 5.531 5.177 9.359 422 HD23 LEU 56 HD23 LEU 56 4.467 6.504 9.827 423 H VAL 57 HN VAL 57 9.029 4.332 6.057 424 HA VAL 57 HA VAL 57 10.100 4.769 8.775 425 HB VAL 57 HB VAL 57 11.509 3.024 6.779 426 HG11 VAL 57 HG11 VAL 57 11.509 2.932 9.787 427 HG12 VAL 57 HG12 VAL 57 12.615 3.921 8.841 428 HG13 VAL 57 HG13 VAL 57 12.648 2.165 8.677 429 HG21 VAL 57 HG21 VAL 57 10.514 1.032 7.799 430 HG22 VAL 57 HG22 VAL 57 9.300 2.026 6.994 431 HG23 VAL 57 HG23 VAL 57 9.440 2.056 8.752 432 H GLU 58 HN GLU 58 11.115 6.655 8.719 433 HA GLU 58 HA GLU 58 12.411 8.409 8.079 434 HB2 GLU 58 HB2 GLU 58 14.070 6.425 6.542 435 HB3 GLU 58 HB1 GLU 58 14.603 7.844 7.438 436 HG2 GLU 58 HG2 GLU 58 13.843 6.709 9.525 437 HG3 GLU 58 HG1 GLU 58 13.541 5.275 8.550 438 H GLY 59 HN GLY 59 10.174 7.983 6.326 439 HA2 GLY 59 HA2 GLY 59 9.567 9.323 4.459 440 HA3 GLY 59 HA1 GLY 59 11.250 9.348 3.959 441 H ILE 60 HN ILE 60 10.767 6.229 4.677 442 HA ILE 60 HA ILE 60 10.023 5.565 1.923 443 HB ILE 60 HB ILE 60 10.833 3.482 3.848 444 HG12 ILE 60 HG12 ILE 60 12.767 5.224 2.421 445 HG13 ILE 60 HG11 ILE 60 12.431 5.391 4.140 446 HG21 ILE 60 HG21 ILE 60 10.122 3.432 1.288 447 HG22 ILE 60 HG22 ILE 60 11.305 2.318 1.956 448 HG23 ILE 60 HG23 ILE 60 11.845 3.752 1.082 449 HD11 ILE 60 HD11 ILE 60 13.851 3.244 2.669 450 HD12 ILE 60 HD12 ILE 60 12.935 2.881 4.123 451 HD13 ILE 60 HD13 ILE 60 14.259 4.044 4.198 452 H LEU 61 HN LEU 61 8.307 4.142 1.494 453 HA LEU 61 HA LEU 61 6.553 3.528 3.777 454 HB2 LEU 61 HB2 LEU 61 5.712 4.738 1.669 455 HB3 LEU 61 HB1 LEU 61 5.900 3.199 0.853 456 HG LEU 61 HG LEU 61 4.311 2.206 2.523 457 HD11 LEU 61 HD11 LEU 61 3.885 5.100 3.259 458 HD12 LEU 61 HD12 LEU 61 4.569 3.849 4.296 459 HD13 LEU 61 HD13 LEU 61 2.884 3.747 3.785 460 HD21 LEU 61 HD21 LEU 61 2.320 3.147 1.461 461 HD22 LEU 61 HD22 LEU 61 3.596 2.835 0.284 462 HD23 LEU 61 HD23 LEU 61 3.286 4.482 0.831 463 H HIS 62 HN HIS 62 6.871 1.493 4.622 464 HA HIS 62 HA HIS 62 7.992 -0.509 2.763 465 HB2 HIS 62 HB2 HIS 62 9.359 0.263 4.795 466 HB3 HIS 62 HB1 HIS 62 8.193 -0.635 5.757 467 HD1 HIS 62 HD1 HIS 62 9.144 -2.837 6.400 468 HD2 HIS 62 HD2 HIS 62 10.310 -1.689 2.573 469 HE1 HIS 62 HE1 HIS 62 10.588 -4.712 5.537 470 HE2 HIS 62 HE2 HIS 62 11.309 -3.977 3.230 471 H ALA 63 HN ALA 63 6.672 -2.012 2.173 472 HA ALA 63 HA ALA 63 4.469 -2.965 3.781 473 HB1 ALA 63 HB1 ALA 63 4.206 -4.645 2.014 474 HB2 ALA 63 HB2 ALA 63 5.729 -4.134 1.288 475 HB3 ALA 63 HB3 ALA 63 4.352 -3.033 1.312 476 HA PRO 64 HA PRO 64 6.765 -5.756 6.218 477 HB2 PRO 64 HB2 PRO 64 5.193 -8.137 5.457 478 HB3 PRO 64 HB1 PRO 64 5.346 -7.356 7.035 479 HG2 PRO 64 HG2 PRO 64 3.078 -7.176 5.649 480 HG3 PRO 64 HG1 PRO 64 3.703 -5.782 6.556 481 HD2 PRO 64 HD2 PRO 64 3.978 -6.404 3.621 482 HD3 PRO 64 HD1 PRO 64 3.451 -4.874 4.389 483 H ASP 65 HN ASP 65 8.406 -7.314 6.152 484 HA ASP 65 HA ASP 65 10.012 -7.143 3.965 485 HB2 ASP 65 HB2 ASP 65 9.891 -9.193 6.154 486 HB3 ASP 65 HB1 ASP 65 11.142 -9.258 4.919 487 H ALA 66 HN ALA 66 7.841 -9.768 4.746 488 HA ALA 66 HA ALA 66 7.732 -10.587 1.956 489 HB1 ALA 66 HB1 ALA 66 8.136 -12.983 2.781 490 HB2 ALA 66 HB2 ALA 66 8.813 -12.209 4.220 491 HB3 ALA 66 HB3 ALA 66 9.548 -11.928 2.641 492 H GLY 67 HN GLY 67 5.969 -9.319 3.823 493 HA2 GLY 67 HA2 GLY 67 4.390 -11.113 5.288 494 HA3 GLY 67 HA1 GLY 67 3.910 -9.492 4.815 495 H TRP 68 HN TRP 68 2.795 -9.213 2.787 496 HA TRP 68 HA TRP 68 1.261 -11.614 2.150 497 HB2 TRP 68 HB2 TRP 68 0.072 -9.083 1.385 498 HB3 TRP 68 HB1 TRP 68 -0.554 -10.337 2.438 499 HD1 TRP 68 HD1 TRP 68 0.615 -6.844 2.546 500 HE1 TRP 68 HE1 TRP 68 0.949 -6.084 4.974 501 HE3 TRP 68 HE3 TRP 68 0.385 -11.362 4.812 502 HZ2 TRP 68 HZ2 TRP 68 1.072 -7.263 7.554 503 HZ3 TRP 68 HZ3 TRP 68 0.608 -11.497 7.269 504 HH2 TRP 68 HH2 TRP 68 0.953 -9.480 8.609 505 H GLY 69 HN GLY 69 1.542 -8.497 0.583 506 HA2 GLY 69 HA2 GLY 69 3.285 -9.098 -1.466 507 HA3 GLY 69 HA1 GLY 69 1.708 -9.667 -1.969 508 H ASN 70 HN ASN 70 -0.073 -8.069 -1.790 509 HA ASN 70 HA ASN 70 0.842 -5.486 -2.829 510 HB2 ASN 70 HB2 ASN 70 -1.026 -5.914 -4.624 511 HB3 ASN 70 HB1 ASN 70 0.636 -6.409 -4.894 512 HD21 ASN 70 HD21 ASN 70 0.053 -7.999 -6.323 513 HD22 ASN 70 HD22 ASN 70 -0.769 -9.447 -5.863 514 H LEU 71 HN LEU 71 -2.008 -7.463 -2.298 515 HA LEU 71 HA LEU 71 -4.105 -6.946 -1.632 516 HB2 LEU 71 HB2 LEU 71 -2.751 -4.992 0.166 517 HB3 LEU 71 HB1 LEU 71 -4.245 -5.854 0.449 518 HG LEU 71 HG LEU 71 -2.728 -6.911 1.872 519 HD11 LEU 71 HD11 LEU 71 -2.376 -9.157 0.956 520 HD12 LEU 71 HD12 LEU 71 -2.806 -8.540 -0.642 521 HD13 LEU 71 HD13 LEU 71 -4.000 -8.535 0.656 522 HD21 LEU 71 HD21 LEU 71 -0.505 -7.258 1.571 523 HD22 LEU 71 HD22 LEU 71 -0.744 -5.842 0.539 524 HD23 LEU 71 HD23 LEU 71 -0.666 -7.450 -0.173 525 H VAL 72 HN VAL 72 -5.588 -5.213 -1.042 526 HA VAL 72 HA VAL 72 -5.281 -3.116 -3.069 527 HB VAL 72 HB VAL 72 -7.253 -4.362 -3.377 528 HG11 VAL 72 HG11 VAL 72 -8.325 -3.913 -0.658 529 HG12 VAL 72 HG12 VAL 72 -6.968 -5.052 -0.812 530 HG13 VAL 72 HG13 VAL 72 -8.478 -5.320 -1.724 531 HG21 VAL 72 HG21 VAL 72 -8.939 -2.717 -3.217 532 HG22 VAL 72 HG22 VAL 72 -7.408 -1.842 -3.365 533 HG23 VAL 72 HG23 VAL 72 -8.192 -1.988 -1.791 534 H TYR 73 HN TYR 73 -4.176 -1.471 -2.101 535 HA TYR 73 HA TYR 73 -4.598 -0.820 0.632 536 HB2 TYR 73 HB2 TYR 73 -3.131 0.676 -1.529 537 HB3 TYR 73 HB1 TYR 73 -3.068 1.038 0.193 538 HD1 TYR 73 HD1 TYR 73 -0.818 0.258 -1.789 539 HD2 TYR 73 HD2 TYR 73 -3.065 -1.920 1.073 540 HE1 TYR 73 HE1 TYR 73 1.059 -1.288 -1.504 541 HE2 TYR 73 HE2 TYR 73 -1.183 -3.472 1.384 542 HH TYR 73 HH TYR 73 0.813 -4.235 -0.059 543 H VAL 74 HN VAL 74 -5.411 0.919 1.549 544 HA VAL 74 HA VAL 74 -7.545 2.325 0.118 545 HB VAL 74 HB VAL 74 -7.215 1.101 2.825 546 HG11 VAL 74 HG11 VAL 74 -9.205 3.299 2.206 547 HG12 VAL 74 HG12 VAL 74 -7.892 3.362 3.389 548 HG13 VAL 74 HG13 VAL 74 -9.251 2.259 3.632 549 HG21 VAL 74 HG21 VAL 74 -9.511 0.306 2.327 550 HG22 VAL 74 HG22 VAL 74 -8.270 -0.218 1.194 551 HG23 VAL 74 HG23 VAL 74 -9.377 1.077 0.745 552 H VAL 75 HN VAL 75 -8.040 4.518 1.293 553 HA VAL 75 HA VAL 75 -5.459 5.890 1.155 554 HB VAL 75 HB VAL 75 -7.202 6.438 -0.554 555 HG11 VAL 75 HG11 VAL 75 -8.697 7.560 1.813 556 HG12 VAL 75 HG12 VAL 75 -9.216 6.270 0.726 557 HG13 VAL 75 HG13 VAL 75 -9.064 7.920 0.125 558 HG21 VAL 75 HG21 VAL 75 -6.949 8.859 -0.385 559 HG22 VAL 75 HG22 VAL 75 -5.443 8.001 -0.054 560 HG23 VAL 75 HG23 VAL 75 -6.386 8.676 1.276 561 H ASN 76 HN ASN 76 -4.636 6.339 3.238 562 HA ASN 76 HA ASN 76 -6.388 8.362 4.428 563 HB2 ASN 76 HB2 ASN 76 -6.157 7.714 6.607 564 HB3 ASN 76 HB1 ASN 76 -6.109 6.153 5.837 565 HD21 ASN 76 HD21 ASN 76 -4.561 4.862 6.392 566 HD22 ASN 76 HD22 ASN 76 -3.114 5.306 7.209 567 H TYR 77 HN TYR 77 -5.459 10.344 4.348 568 HA TYR 77 HA TYR 77 -2.649 10.482 5.098 569 HB2 TYR 77 HB2 TYR 77 -2.591 12.554 3.546 570 HB3 TYR 77 HB1 TYR 77 -2.160 10.965 2.952 571 HD1 TYR 77 HD1 TYR 77 -3.480 9.878 1.326 572 HD2 TYR 77 HD2 TYR 77 -4.733 13.624 2.880 573 HE1 TYR 77 HE1 TYR 77 -5.080 10.072 -0.521 574 HE2 TYR 77 HE2 TYR 77 -6.357 13.851 1.042 575 HH TYR 77 HH TYR 77 -6.691 13.007 -1.227 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 8.310 -14.575 -7.188 2 H2 MET 1 HT2 MET 1 7.724 -13.895 -5.752 3 H3 MET 1 HT3 MET 1 8.733 -15.259 -5.695 4 HA MET 1 HA MET 1 10.030 -13.410 -5.081 5 HB2 MET 1 HB2 MET 1 10.580 -14.179 -7.952 6 HB3 MET 1 HB1 MET 1 11.706 -13.309 -6.925 7 HG2 MET 1 HG2 MET 1 12.440 -15.504 -6.833 8 HG3 MET 1 HG1 MET 1 11.527 -15.299 -5.340 9 HE1 MET 1 HE1 MET 1 10.044 -17.576 -9.060 10 HE2 MET 1 HE2 MET 1 11.637 -16.830 -8.906 11 HE3 MET 1 HE3 MET 1 10.196 -15.821 -9.029 12 H SER 2 HN SER 2 8.656 -12.808 -8.330 13 HA SER 2 HA SER 2 9.164 -9.980 -8.064 14 HB2 SER 2 HB2 SER 2 9.287 -11.121 -10.268 15 HB3 SER 2 HB1 SER 2 7.560 -11.458 -10.170 16 HG SER 2 HG SER 2 7.146 -9.260 -10.243 17 H GLU 3 HN GLU 3 7.971 -9.851 -6.025 18 HA GLU 3 HA GLU 3 5.127 -10.127 -6.094 19 HB2 GLU 3 HB2 GLU 3 6.889 -8.921 -3.986 20 HB3 GLU 3 HB1 GLU 3 5.227 -9.446 -3.763 21 HG2 GLU 3 HG2 GLU 3 7.695 -11.091 -4.161 22 HG3 GLU 3 HG1 GLU 3 6.592 -11.092 -2.789 23 H TYR 4 HN TYR 4 3.629 -8.438 -6.114 24 HA TYR 4 HA TYR 4 4.657 -5.713 -6.281 25 HB2 TYR 4 HB2 TYR 4 3.427 -5.234 -8.289 26 HB3 TYR 4 HB1 TYR 4 4.352 -6.695 -8.620 27 HD1 TYR 4 HD1 TYR 4 1.037 -5.441 -7.702 28 HD2 TYR 4 HD2 TYR 4 3.236 -8.715 -9.251 29 HE1 TYR 4 HE1 TYR 4 -1.055 -6.532 -8.266 30 HE2 TYR 4 HE2 TYR 4 1.131 -9.855 -9.839 31 HH TYR 4 HH TYR 4 -1.849 -8.318 -9.920 32 H ILE 5 HN ILE 5 2.684 -4.181 -6.064 33 HA ILE 5 HA ILE 5 0.816 -5.457 -4.203 34 HB ILE 5 HB ILE 5 0.973 -3.800 -2.630 35 HG12 ILE 5 HG12 ILE 5 0.959 -1.848 -4.185 36 HG13 ILE 5 HG11 ILE 5 2.060 -1.658 -2.828 37 HG21 ILE 5 HG21 ILE 5 3.353 -3.673 -2.020 38 HG22 ILE 5 HG22 ILE 5 3.765 -4.251 -3.635 39 HG23 ILE 5 HG23 ILE 5 2.858 -5.287 -2.533 40 HD11 ILE 5 HD11 ILE 5 3.045 -0.834 -4.869 41 HD12 ILE 5 HD12 ILE 5 2.806 -2.404 -5.626 42 HD13 ILE 5 HD13 ILE 5 3.932 -2.243 -4.282 43 H ARG 6 HN ARG 6 -1.181 -4.102 -3.746 44 HA ARG 6 HA ARG 6 -1.968 -2.825 -6.277 45 HB2 ARG 6 HB2 ARG 6 -3.254 -4.709 -6.319 46 HB3 ARG 6 HB1 ARG 6 -3.132 -4.962 -4.572 47 HG2 ARG 6 HG2 ARG 6 -5.358 -4.551 -4.846 48 HG3 ARG 6 HG1 ARG 6 -4.769 -2.924 -4.505 49 HD2 ARG 6 HD2 ARG 6 -6.330 -2.987 -6.363 50 HD3 ARG 6 HD1 ARG 6 -4.746 -2.404 -6.857 51 HE ARG 6 HE ARG 6 -4.373 -4.531 -7.896 52 HH11 ARG 6 HH11 ARG 6 -7.665 -3.907 -6.916 53 HH12 ARG 6 HH12 ARG 6 -8.367 -5.032 -8.036 54 HH21 ARG 6 HH21 ARG 6 -5.294 -6.031 -9.393 55 HH22 ARG 6 HH22 ARG 6 -7.019 -6.207 -9.466 56 H VAL 7 HN VAL 7 -2.842 -0.738 -6.070 57 HA VAL 7 HA VAL 7 -3.658 0.107 -3.379 58 HB VAL 7 HB VAL 7 -1.411 0.842 -3.473 59 HG11 VAL 7 HG11 VAL 7 -2.054 1.829 -6.214 60 HG12 VAL 7 HG12 VAL 7 -0.809 0.685 -5.704 61 HG13 VAL 7 HG13 VAL 7 -0.646 2.396 -5.316 62 HG21 VAL 7 HG21 VAL 7 -1.600 3.300 -3.400 63 HG22 VAL 7 HG22 VAL 7 -2.887 2.487 -2.510 64 HG23 VAL 7 HG23 VAL 7 -3.212 3.166 -4.105 65 H THR 8 HN THR 8 -5.223 1.618 -3.299 66 HA THR 8 HA THR 8 -5.719 3.349 -5.534 67 HB THR 8 HB THR 8 -7.152 1.656 -6.266 68 HG1 THR 8 HG1 THR 8 -8.178 3.657 -6.333 69 HG21 THR 8 HG21 THR 8 -8.340 0.245 -5.011 70 HG22 THR 8 HG22 THR 8 -8.733 1.446 -3.776 71 HG23 THR 8 HG23 THR 8 -7.141 0.679 -3.791 72 H GLU 9 HN GLU 9 -7.433 5.077 -4.801 73 HA GLU 9 HA GLU 9 -6.854 5.726 -2.064 74 HB2 GLU 9 HB2 GLU 9 -8.401 7.042 -4.234 75 HB3 GLU 9 HB1 GLU 9 -8.851 7.417 -2.577 76 HG2 GLU 9 HG2 GLU 9 -6.511 8.070 -2.128 77 HG3 GLU 9 HG1 GLU 9 -6.154 7.837 -3.837 78 H ASP 10 HN ASP 10 -9.698 4.758 -3.876 79 HA ASP 10 HA ASP 10 -11.024 4.165 -1.357 80 HB2 ASP 10 HB2 ASP 10 -12.036 4.870 -4.098 81 HB3 ASP 10 HB1 ASP 10 -13.041 4.019 -2.943 82 H GLU 11 HN GLU 11 -11.891 2.196 -1.109 83 HA GLU 11 HA GLU 11 -10.298 0.054 -1.958 84 HB2 GLU 11 HB2 GLU 11 -13.100 -0.399 -1.028 85 HB3 GLU 11 HB1 GLU 11 -11.631 -1.250 -0.567 86 HG2 GLU 11 HG2 GLU 11 -10.965 0.862 0.623 87 HG3 GLU 11 HG1 GLU 11 -12.604 1.429 0.355 88 H ASN 12 HN ASN 12 -13.166 1.497 -3.099 89 HA ASN 12 HA ASN 12 -13.085 -0.267 -5.447 90 HB2 ASN 12 HB2 ASN 12 -15.044 -0.675 -3.956 91 HB3 ASN 12 HB1 ASN 12 -15.587 0.937 -4.375 92 HD21 ASN 12 HD21 ASN 12 -15.011 -2.285 -5.532 93 HD22 ASN 12 HD22 ASN 12 -15.977 -2.150 -6.957 94 H ASP 13 HN ASP 13 -11.684 2.317 -5.073 95 HA ASP 13 HA ASP 13 -13.028 4.014 -7.013 96 HB2 ASP 13 HB2 ASP 13 -11.138 4.765 -5.343 97 HB3 ASP 13 HB1 ASP 13 -10.056 4.052 -6.507 98 H GLU 14 HN GLU 14 -9.923 3.798 -7.970 99 HA GLU 14 HA GLU 14 -10.327 1.373 -9.607 100 HB2 GLU 14 HB2 GLU 14 -10.114 3.772 -10.709 101 HB3 GLU 14 HB1 GLU 14 -8.398 3.446 -10.495 102 HG2 GLU 14 HG2 GLU 14 -9.249 2.778 -12.704 103 HG3 GLU 14 HG1 GLU 14 -8.538 1.448 -11.799 104 HA PRO 15 HA PRO 15 -6.764 0.492 -6.890 105 HB2 PRO 15 HB2 PRO 15 -7.278 -2.135 -6.644 106 HB3 PRO 15 HB1 PRO 15 -8.081 -0.916 -5.650 107 HG2 PRO 15 HG2 PRO 15 -8.989 -2.270 -8.115 108 HG3 PRO 15 HG1 PRO 15 -9.869 -2.005 -6.596 109 HD2 PRO 15 HD2 PRO 15 -10.252 -0.457 -8.783 110 HD3 PRO 15 HD1 PRO 15 -10.349 0.196 -7.132 111 H ILE 16 HN ILE 16 -4.807 -0.236 -7.581 112 HA ILE 16 HA ILE 16 -4.698 -1.311 -10.304 113 HB ILE 16 HB ILE 16 -2.749 0.253 -10.647 114 HG12 ILE 16 HG12 ILE 16 -3.151 0.737 -7.916 115 HG13 ILE 16 HG11 ILE 16 -2.060 1.598 -8.984 116 HG21 ILE 16 HG21 ILE 16 -4.176 2.161 -11.198 117 HG22 ILE 16 HG22 ILE 16 -5.459 1.445 -10.228 118 HG23 ILE 16 HG23 ILE 16 -4.900 0.624 -11.683 119 HD11 ILE 16 HD11 ILE 16 -3.367 3.213 -7.844 120 HD12 ILE 16 HD12 ILE 16 -4.868 2.361 -8.228 121 HD13 ILE 16 HD13 ILE 16 -3.949 3.168 -9.510 122 H GLU 17 HN GLU 17 -2.973 -2.624 -10.767 123 HA GLU 17 HA GLU 17 -1.409 -3.561 -8.488 124 HB2 GLU 17 HB2 GLU 17 -1.591 -4.616 -11.294 125 HB3 GLU 17 HB1 GLU 17 -0.743 -5.371 -9.950 126 HG2 GLU 17 HG2 GLU 17 -2.663 -6.051 -8.934 127 HG3 GLU 17 HG1 GLU 17 -3.631 -4.752 -9.643 128 H ILE 18 HN ILE 18 0.631 -3.046 -8.193 129 HA ILE 18 HA ILE 18 2.217 -1.993 -10.417 130 HB ILE 18 HB ILE 18 3.009 -0.058 -9.069 131 HG12 ILE 18 HG12 ILE 18 0.591 -0.585 -7.336 132 HG13 ILE 18 HG11 ILE 18 2.242 -0.966 -6.860 133 HG21 ILE 18 HG21 ILE 18 0.074 -0.080 -9.748 134 HG22 ILE 18 HG22 ILE 18 1.409 0.283 -10.843 135 HG23 ILE 18 HG23 ILE 18 1.055 1.364 -9.498 136 HD11 ILE 18 HD11 ILE 18 1.159 1.771 -7.484 137 HD12 ILE 18 HD12 ILE 18 2.826 1.404 -7.038 138 HD13 ILE 18 HD13 ILE 18 1.522 1.124 -5.883 139 HA PRO 19 HA PRO 19 5.425 -4.093 -8.193 140 HB2 PRO 19 HB2 PRO 19 7.575 -3.204 -9.519 141 HB3 PRO 19 HB1 PRO 19 6.378 -4.243 -10.303 142 HG2 PRO 19 HG2 PRO 19 6.757 -1.291 -10.512 143 HG3 PRO 19 HG1 PRO 19 6.330 -2.460 -11.773 144 HD2 PRO 19 HD2 PRO 19 4.530 -0.822 -10.441 145 HD3 PRO 19 HD1 PRO 19 4.109 -2.314 -11.302 146 H SER 20 HN SER 20 7.236 -3.749 -6.794 147 HA SER 20 HA SER 20 7.444 -1.008 -5.738 148 HB2 SER 20 HB2 SER 20 7.747 -3.575 -4.188 149 HB3 SER 20 HB1 SER 20 7.744 -1.942 -3.528 150 HG SER 20 HG SER 20 5.536 -2.147 -4.891 151 H GLU 21 HN GLU 21 9.559 -0.634 -4.540 152 HA GLU 21 HA GLU 21 11.821 -1.484 -6.021 153 HB2 GLU 21 HB2 GLU 21 11.713 0.612 -4.646 154 HB3 GLU 21 HB1 GLU 21 11.836 -0.415 -3.229 155 HG2 GLU 21 HG2 GLU 21 13.977 -1.300 -4.129 156 HG3 GLU 21 HG1 GLU 21 13.874 -0.092 -5.409 157 H ASP 22 HN ASP 22 13.420 -2.864 -5.507 158 HA ASP 22 HA ASP 22 12.591 -5.434 -4.943 159 HB2 ASP 22 HB2 ASP 22 15.375 -4.460 -4.494 160 HB3 ASP 22 HB1 ASP 22 14.874 -6.035 -5.097 161 H ASP 23 HN ASP 23 13.564 -2.951 -2.777 162 HA ASP 23 HA ASP 23 14.499 -4.729 -0.686 163 HB2 ASP 23 HB2 ASP 23 15.507 -2.569 -0.810 164 HB3 ASP 23 HB1 ASP 23 13.943 -1.770 -0.715 165 H GLY 24 HN GLY 24 11.628 -3.831 -1.939 166 HA2 GLY 24 HA2 GLY 24 9.475 -4.455 -1.185 167 HA3 GLY 24 HA1 GLY 24 10.125 -4.720 0.436 168 H THR 25 HN THR 25 10.836 -2.000 -1.498 169 HA THR 25 HA THR 25 9.770 -0.258 0.603 170 HB THR 25 HB THR 25 12.419 -0.696 -0.515 171 HG1 THR 25 HG1 THR 25 12.791 -0.495 1.519 172 HG21 THR 25 HG21 THR 25 11.852 1.266 -1.812 173 HG22 THR 25 HG22 THR 25 13.158 1.593 -0.668 174 HG23 THR 25 HG23 THR 25 11.520 2.171 -0.333 175 H VAL 26 HN VAL 26 8.913 1.735 -0.037 176 HA VAL 26 HA VAL 26 9.051 2.480 -2.823 177 HB VAL 26 HB VAL 26 6.568 3.182 -2.542 178 HG11 VAL 26 HG11 VAL 26 5.858 0.991 -3.479 179 HG12 VAL 26 HG12 VAL 26 7.442 0.342 -3.030 180 HG13 VAL 26 HG13 VAL 26 7.320 1.626 -4.238 181 HG21 VAL 26 HG21 VAL 26 6.178 2.613 -0.299 182 HG22 VAL 26 HG22 VAL 26 6.917 1.030 -0.522 183 HG23 VAL 26 HG23 VAL 26 5.349 1.379 -1.254 184 H LEU 27 HN LEU 27 8.845 4.698 -3.200 185 HA LEU 27 HA LEU 27 9.684 6.413 -1.076 186 HB2 LEU 27 HB2 LEU 27 8.984 8.112 -3.100 187 HB3 LEU 27 HB1 LEU 27 10.540 7.290 -2.975 188 HG LEU 27 HG LEU 27 9.419 5.428 -4.372 189 HD11 LEU 27 HD11 LEU 27 7.675 6.710 -5.911 190 HD12 LEU 27 HD12 LEU 27 7.389 7.582 -4.387 191 HD13 LEU 27 HD13 LEU 27 7.192 5.823 -4.462 192 HD21 LEU 27 HD21 LEU 27 11.171 6.898 -5.225 193 HD22 LEU 27 HD22 LEU 27 9.966 8.129 -5.603 194 HD23 LEU 27 HD23 LEU 27 9.950 6.587 -6.459 195 H LEU 28 HN LEU 28 8.211 6.686 0.528 196 HA LEU 28 HA LEU 28 5.436 6.538 0.093 197 HB2 LEU 28 HB2 LEU 28 5.596 6.081 2.265 198 HB3 LEU 28 HB1 LEU 28 7.283 6.542 2.217 199 HG LEU 28 HG LEU 28 6.463 8.918 2.572 200 HD11 LEU 28 HD11 LEU 28 4.011 7.398 3.460 201 HD12 LEU 28 HD12 LEU 28 4.096 8.586 2.160 202 HD13 LEU 28 HD13 LEU 28 4.336 9.091 3.833 203 HD21 LEU 28 HD21 LEU 28 7.687 7.682 4.244 204 HD22 LEU 28 HD22 LEU 28 6.214 6.856 4.750 205 HD23 LEU 28 HD23 LEU 28 6.386 8.592 5.012 206 H SER 29 HN SER 29 7.598 9.240 0.846 207 HA SER 29 HA SER 29 5.553 11.203 0.871 208 HB2 SER 29 HB2 SER 29 8.521 11.628 0.454 209 HB3 SER 29 HB1 SER 29 7.352 12.807 1.049 210 HG SER 29 HG SER 29 7.020 11.359 2.862 211 H THR 30 HN THR 30 7.621 9.798 -1.536 212 HA THR 30 HA THR 30 7.135 11.787 -3.510 213 HB THR 30 HB THR 30 8.418 9.115 -3.488 214 HG1 THR 30 HG1 THR 30 10.258 10.347 -3.860 215 HG21 THR 30 HG21 THR 30 7.267 9.230 -5.521 216 HG22 THR 30 HG22 THR 30 8.980 9.475 -5.855 217 HG23 THR 30 HG23 THR 30 7.860 10.847 -5.872 218 H VAL 31 HN VAL 31 5.783 8.726 -2.557 219 HA VAL 31 HA VAL 31 3.777 8.566 -4.506 220 HB VAL 31 HB VAL 31 4.022 7.486 -1.713 221 HG11 VAL 31 HG11 VAL 31 1.940 6.216 -2.074 222 HG12 VAL 31 HG12 VAL 31 1.651 7.133 -3.553 223 HG13 VAL 31 HG13 VAL 31 1.641 7.953 -1.992 224 HG21 VAL 31 HG21 VAL 31 4.480 5.484 -2.754 225 HG22 VAL 31 HG22 VAL 31 5.155 6.638 -3.912 226 HG23 VAL 31 HG23 VAL 31 3.574 5.917 -4.205 227 H THR 32 HN THR 32 3.936 10.290 -1.396 228 HA THR 32 HA THR 32 1.236 11.115 -1.385 229 HB THR 32 HB THR 32 1.647 12.391 0.473 230 HG1 THR 32 HG1 THR 32 4.222 12.924 -0.642 231 HG21 THR 32 HG21 THR 32 3.374 10.137 0.231 232 HG22 THR 32 HG22 THR 32 2.401 10.669 1.600 233 HG23 THR 32 HG23 THR 32 4.023 11.322 1.358 234 H ALA 33 HN ALA 33 3.927 12.259 -3.165 235 HA ALA 33 HA ALA 33 3.223 14.835 -3.863 236 HB1 ALA 33 HB1 ALA 33 4.292 12.947 -5.875 237 HB2 ALA 33 HB2 ALA 33 5.233 13.458 -4.489 238 HB3 ALA 33 HB3 ALA 33 4.670 14.657 -5.642 239 H GLN 34 HN GLN 34 0.770 13.645 -3.678 240 HA GLN 34 HA GLN 34 -0.729 14.396 -5.854 241 HB2 GLN 34 HB2 GLN 34 -1.276 12.152 -6.804 242 HB3 GLN 34 HB1 GLN 34 0.364 12.713 -7.167 243 HG2 GLN 34 HG2 GLN 34 0.571 11.293 -4.819 244 HG3 GLN 34 HG1 GLN 34 -0.520 10.333 -5.830 245 HE21 GLN 34 HE21 GLN 34 2.710 11.764 -5.592 246 HE22 GLN 34 HE22 GLN 34 3.426 10.752 -6.815 247 H PHE 35 HN PHE 35 -2.794 12.706 -5.875 248 HA PHE 35 HA PHE 35 -3.336 12.031 -3.073 249 HB2 PHE 35 HB2 PHE 35 -5.003 12.608 -5.497 250 HB3 PHE 35 HB1 PHE 35 -5.703 11.860 -4.067 251 HD1 PHE 35 HD1 PHE 35 -3.478 14.768 -4.839 252 HD2 PHE 35 HD2 PHE 35 -6.845 13.306 -2.686 253 HE1 PHE 35 HE1 PHE 35 -3.839 17.005 -3.887 254 HE2 PHE 35 HE2 PHE 35 -7.207 15.542 -1.728 255 HZ PHE 35 HZ PHE 35 -5.703 17.394 -2.330 256 HA PRO 36 HA PRO 36 -3.259 7.818 -4.719 257 HB2 PRO 36 HB2 PRO 36 -0.921 7.003 -3.939 258 HB3 PRO 36 HB1 PRO 36 -0.995 8.291 -5.155 259 HG2 PRO 36 HG2 PRO 36 -0.395 8.485 -2.233 260 HG3 PRO 36 HG1 PRO 36 0.273 9.423 -3.582 261 HD2 PRO 36 HD2 PRO 36 -1.950 10.082 -1.882 262 HD3 PRO 36 HD1 PRO 36 -1.287 11.034 -3.235 263 H GLY 37 HN GLY 37 -3.775 9.032 -1.698 264 HA2 GLY 37 HA2 GLY 37 -4.349 7.768 0.293 265 HA3 GLY 37 HA1 GLY 37 -3.236 6.511 -0.248 266 H ALA 38 HN ALA 38 -1.213 8.345 -1.065 267 HA ALA 38 HA ALA 38 0.411 9.755 -0.535 268 HB1 ALA 38 HB1 ALA 38 -0.045 11.609 0.956 269 HB2 ALA 38 HB2 ALA 38 -1.512 10.807 1.507 270 HB3 ALA 38 HB3 ALA 38 -1.373 11.330 -0.169 271 H SER 39 HN SER 39 -0.724 9.510 2.850 272 HA SER 39 HA SER 39 2.105 8.913 3.420 273 HB2 SER 39 HB2 SER 39 1.595 11.344 3.588 274 HB3 SER 39 HB1 SER 39 0.419 10.961 4.837 275 HG SER 39 HG SER 39 2.320 9.899 5.911 276 H GLY 40 HN GLY 40 -1.097 8.241 3.928 277 HA2 GLY 40 HA2 GLY 40 -0.459 6.603 6.289 278 HA3 GLY 40 HA1 GLY 40 -2.039 7.321 5.964 279 H LEU 41 HN LEU 41 -1.365 4.471 6.248 280 HA LEU 41 HA LEU 41 -2.482 3.804 3.653 281 HB2 LEU 41 HB2 LEU 41 0.008 2.993 4.588 282 HB3 LEU 41 HB1 LEU 41 -1.010 1.582 4.799 283 HG LEU 41 HG LEU 41 0.020 1.445 2.642 284 HD11 LEU 41 HD11 LEU 41 -1.880 1.384 1.161 285 HD12 LEU 41 HD12 LEU 41 -2.816 2.352 2.299 286 HD13 LEU 41 HD13 LEU 41 -2.297 0.725 2.742 287 HD21 LEU 41 HD21 LEU 41 0.687 3.667 2.233 288 HD22 LEU 41 HD22 LEU 41 -0.971 4.264 2.382 289 HD23 LEU 41 HD23 LEU 41 -0.495 3.304 0.970 290 H ARG 42 HN ARG 42 -4.322 2.689 3.690 291 HA ARG 42 HA ARG 42 -4.628 0.756 5.889 292 HB2 ARG 42 HB2 ARG 42 -6.747 2.143 4.294 293 HB3 ARG 42 HB1 ARG 42 -7.040 0.798 5.391 294 HG2 ARG 42 HG2 ARG 42 -6.143 2.096 7.238 295 HG3 ARG 42 HG1 ARG 42 -5.896 3.461 6.107 296 HD2 ARG 42 HD2 ARG 42 -8.117 3.195 7.551 297 HD3 ARG 42 HD1 ARG 42 -8.060 3.921 5.931 298 HE ARG 42 HE ARG 42 -8.568 1.138 5.798 299 HH11 ARG 42 HH11 ARG 42 -10.099 4.204 6.504 300 HH12 ARG 42 HH12 ARG 42 -11.702 3.636 6.126 301 HH21 ARG 42 HH21 ARG 42 -10.688 0.414 5.228 302 HH22 ARG 42 HH22 ARG 42 -12.029 1.507 5.384 303 H TYR 43 HN TYR 43 -5.322 -1.389 5.107 304 HA TYR 43 HA TYR 43 -6.168 -1.392 2.360 305 HB2 TYR 43 HB2 TYR 43 -4.658 -3.070 1.554 306 HB3 TYR 43 HB1 TYR 43 -3.779 -1.658 2.141 307 HD1 TYR 43 HD1 TYR 43 -2.712 -1.831 4.454 308 HD2 TYR 43 HD2 TYR 43 -4.132 -5.202 2.304 309 HE1 TYR 43 HE1 TYR 43 -1.300 -3.302 5.838 310 HE2 TYR 43 HE2 TYR 43 -2.733 -6.682 3.672 311 HH TYR 43 HH TYR 43 -0.682 -6.540 5.031 312 H ARG 44 HN ARG 44 -6.968 -3.373 1.615 313 HA ARG 44 HA ARG 44 -8.381 -4.796 3.761 314 HB2 ARG 44 HB2 ARG 44 -9.782 -3.443 2.226 315 HB3 ARG 44 HB1 ARG 44 -9.165 -4.369 0.867 316 HG2 ARG 44 HG2 ARG 44 -10.170 -6.392 1.800 317 HG3 ARG 44 HG1 ARG 44 -10.808 -5.445 3.144 318 HD2 ARG 44 HD2 ARG 44 -11.451 -4.939 0.244 319 HD3 ARG 44 HD1 ARG 44 -12.459 -5.888 1.333 320 HE ARG 44 HE ARG 44 -11.838 -3.060 1.919 321 HH11 ARG 44 HH11 ARG 44 -14.146 -5.647 1.366 322 HH12 ARG 44 HH12 ARG 44 -15.530 -4.663 1.760 323 HH21 ARG 44 HH21 ARG 44 -13.644 -1.787 2.468 324 HH22 ARG 44 HH22 ARG 44 -15.244 -2.480 2.423 325 H ASN 45 HN ASN 45 -8.379 -6.988 3.798 326 HA ASN 45 HA ASN 45 -6.372 -8.254 2.099 327 HB2 ASN 45 HB2 ASN 45 -7.006 -8.928 4.968 328 HB3 ASN 45 HB1 ASN 45 -5.749 -9.672 3.994 329 HD21 ASN 45 HD21 ASN 45 -3.970 -9.134 5.104 330 HD22 ASN 45 HD22 ASN 45 -3.487 -7.509 5.452 331 HA PRO 46 HA PRO 46 -9.273 -11.675 1.852 332 HB2 PRO 46 HB2 PRO 46 -7.334 -13.719 1.577 333 HB3 PRO 46 HB1 PRO 46 -8.172 -12.858 0.284 334 HG2 PRO 46 HG2 PRO 46 -5.459 -12.672 0.807 335 HG3 PRO 46 HG1 PRO 46 -6.414 -11.480 -0.092 336 HD2 PRO 46 HD2 PRO 46 -5.606 -11.452 2.791 337 HD3 PRO 46 HD1 PRO 46 -5.610 -10.128 1.610 338 H VAL 47 HN VAL 47 -7.346 -11.232 4.488 339 HA VAL 47 HA VAL 47 -7.936 -13.831 5.705 340 HB VAL 47 HB VAL 47 -5.648 -13.410 5.766 341 HG11 VAL 47 HG11 VAL 47 -6.098 -10.741 7.033 342 HG12 VAL 47 HG12 VAL 47 -5.687 -11.001 5.339 343 HG13 VAL 47 HG13 VAL 47 -4.545 -11.460 6.604 344 HG21 VAL 47 HG21 VAL 47 -6.410 -14.406 7.778 345 HG22 VAL 47 HG22 VAL 47 -6.849 -12.822 8.430 346 HG23 VAL 47 HG23 VAL 47 -5.146 -13.243 8.194 347 H SER 48 HN SER 48 -7.206 -11.068 7.603 348 HA SER 48 HA SER 48 -9.804 -11.355 8.819 349 HB2 SER 48 HB2 SER 48 -7.125 -10.603 9.804 350 HB3 SER 48 HB1 SER 48 -8.536 -10.074 10.723 351 HG SER 48 HG SER 48 -7.322 -12.389 10.836 352 H GLN 49 HN GLN 49 -8.118 -9.472 6.760 353 HA GLN 49 HA GLN 49 -8.512 -7.520 5.696 354 HB2 GLN 49 HB2 GLN 49 -11.246 -8.054 6.752 355 HB3 GLN 49 HB1 GLN 49 -10.825 -6.887 5.500 356 HG2 GLN 49 HG2 GLN 49 -9.672 -8.814 4.337 357 HG3 GLN 49 HG1 GLN 49 -10.555 -9.842 5.429 358 HE21 GLN 49 HE21 GLN 49 -10.562 -7.931 2.726 359 HE22 GLN 49 HE22 GLN 49 -12.199 -8.150 2.264 360 H SER 50 HN SER 50 -7.492 -7.182 8.163 361 HA SER 50 HA SER 50 -8.583 -4.979 9.568 362 HB2 SER 50 HB2 SER 50 -5.660 -5.423 9.303 363 HB3 SER 50 HB1 SER 50 -6.560 -4.871 10.707 364 HG SER 50 HG SER 50 -7.292 -6.937 11.061 365 H MET 51 HN MET 51 -8.810 -2.894 8.799 366 HA MET 51 HA MET 51 -7.535 -2.094 6.376 367 HB2 MET 51 HB2 MET 51 -8.696 -0.181 8.428 368 HB3 MET 51 HB1 MET 51 -8.488 0.049 6.707 369 HG2 MET 51 HG2 MET 51 -10.338 -1.999 7.881 370 HG3 MET 51 HG1 MET 51 -10.828 -0.386 7.364 371 HE1 MET 51 HE1 MET 51 -12.004 -3.268 6.330 372 HE2 MET 51 HE2 MET 51 -12.237 -2.902 4.619 373 HE3 MET 51 HE3 MET 51 -12.681 -1.712 5.845 374 H ARG 52 HN ARG 52 -5.404 -2.570 6.728 375 HA ARG 52 HA ARG 52 -4.121 -1.373 9.073 376 HB2 ARG 52 HB2 ARG 52 -3.960 -3.768 8.937 377 HB3 ARG 52 HB1 ARG 52 -3.371 -3.684 7.306 378 HG2 ARG 52 HG2 ARG 52 -1.398 -2.372 8.332 379 HG3 ARG 52 HG1 ARG 52 -1.940 -3.137 9.844 380 HD2 ARG 52 HD2 ARG 52 -2.060 -5.268 8.321 381 HD3 ARG 52 HD1 ARG 52 -0.891 -4.385 7.353 382 HE ARG 52 HE ARG 52 -0.030 -4.368 10.022 383 HH11 ARG 52 HH11 ARG 52 -0.496 -6.575 7.354 384 HH12 ARG 52 HH12 ARG 52 0.717 -7.707 7.895 385 HH21 ARG 52 HH21 ARG 52 1.596 -5.838 10.729 386 HH22 ARG 52 HH22 ARG 52 1.945 -7.253 9.786 387 H GLY 53 HN GLY 53 -2.153 -0.456 8.895 388 HA2 GLY 53 HA2 GLY 53 -1.679 0.916 6.388 389 HA3 GLY 53 HA1 GLY 53 -1.122 1.452 7.962 390 H VAL 54 HN VAL 54 0.382 1.480 5.776 391 HA VAL 54 HA VAL 54 2.227 -0.765 5.870 392 HB VAL 54 HB VAL 54 1.920 1.499 3.871 393 HG11 VAL 54 HG11 VAL 54 3.855 -0.837 3.826 394 HG12 VAL 54 HG12 VAL 54 4.290 0.850 4.104 395 HG13 VAL 54 HG13 VAL 54 3.634 0.354 2.543 396 HG21 VAL 54 HG21 VAL 54 1.211 -0.269 2.359 397 HG22 VAL 54 HG22 VAL 54 0.207 -0.266 3.810 398 HG23 VAL 54 HG23 VAL 54 1.469 -1.481 3.615 399 H ARG 55 HN ARG 55 4.482 -0.448 6.310 400 HA ARG 55 HA ARG 55 4.914 1.348 8.453 401 HB2 ARG 55 HB2 ARG 55 6.776 -0.404 6.934 402 HB3 ARG 55 HB1 ARG 55 7.306 0.609 8.270 403 HG2 ARG 55 HG2 ARG 55 6.876 -1.286 9.387 404 HG3 ARG 55 HG1 ARG 55 5.275 -0.570 9.460 405 HD2 ARG 55 HD2 ARG 55 4.777 -1.801 7.311 406 HD3 ARG 55 HD1 ARG 55 6.266 -2.698 7.599 407 HE ARG 55 HE ARG 55 5.274 -3.844 9.317 408 HH11 ARG 55 HH11 ARG 55 3.210 -1.189 8.352 409 HH12 ARG 55 HH12 ARG 55 1.865 -1.711 9.303 410 HH21 ARG 55 HH21 ARG 55 3.507 -4.521 10.610 411 HH22 ARG 55 HH22 ARG 55 2.039 -3.582 10.612 412 H LEU 56 HN LEU 56 5.868 3.327 8.550 413 HA LEU 56 HA LEU 56 7.101 4.277 6.055 414 HB2 LEU 56 HB2 LEU 56 6.489 6.558 6.765 415 HB3 LEU 56 HB1 LEU 56 5.111 5.534 6.436 416 HG LEU 56 HG LEU 56 5.636 5.311 9.188 417 HD11 LEU 56 HD11 LEU 56 5.657 8.168 8.246 418 HD12 LEU 56 HD12 LEU 56 6.956 7.322 9.087 419 HD13 LEU 56 HD13 LEU 56 5.436 7.646 9.917 420 HD21 LEU 56 HD21 LEU 56 3.426 6.342 9.392 421 HD22 LEU 56 HD22 LEU 56 3.456 5.121 8.118 422 HD23 LEU 56 HD23 LEU 56 3.504 6.835 7.699 423 H VAL 57 HN VAL 57 9.232 4.303 6.215 424 HA VAL 57 HA VAL 57 10.460 5.163 8.763 425 HB VAL 57 HB VAL 57 11.610 3.069 6.908 426 HG11 VAL 57 HG11 VAL 57 13.020 2.659 9.027 427 HG12 VAL 57 HG12 VAL 57 12.466 4.265 9.520 428 HG13 VAL 57 HG13 VAL 57 13.381 4.065 8.026 429 HG21 VAL 57 HG21 VAL 57 11.056 1.415 8.645 430 HG22 VAL 57 HG22 VAL 57 9.605 2.172 7.986 431 HG23 VAL 57 HG23 VAL 57 10.217 2.665 9.565 432 H GLU 58 HN GLU 58 11.513 7.012 8.404 433 HA GLU 58 HA GLU 58 12.764 8.644 7.422 434 HB2 GLU 58 HB2 GLU 58 14.039 6.407 5.844 435 HB3 GLU 58 HB1 GLU 58 14.749 7.959 6.263 436 HG2 GLU 58 HG2 GLU 58 14.557 7.252 8.677 437 HG3 GLU 58 HG1 GLU 58 14.163 5.643 8.069 438 H GLY 59 HN GLY 59 10.245 8.122 6.158 439 HA2 GLY 59 HA2 GLY 59 9.219 9.093 4.302 440 HA3 GLY 59 HA1 GLY 59 10.801 9.311 3.569 441 H ILE 60 HN ILE 60 10.692 6.155 4.573 442 HA ILE 60 HA ILE 60 9.896 5.228 1.916 443 HB ILE 60 HB ILE 60 10.809 3.400 4.068 444 HG12 ILE 60 HG12 ILE 60 12.590 4.929 2.236 445 HG13 ILE 60 HG11 ILE 60 12.432 5.260 3.954 446 HG21 ILE 60 HG21 ILE 60 9.822 2.786 1.774 447 HG22 ILE 60 HG22 ILE 60 11.288 1.990 2.300 448 HG23 ILE 60 HG23 ILE 60 11.384 3.302 1.137 449 HD11 ILE 60 HD11 ILE 60 13.625 2.900 2.586 450 HD12 ILE 60 HD12 ILE 60 13.018 2.841 4.231 451 HD13 ILE 60 HD13 ILE 60 14.322 3.955 3.828 452 H LEU 61 HN LEU 61 8.227 3.815 1.584 453 HA LEU 61 HA LEU 61 6.526 3.153 3.899 454 HB2 LEU 61 HB2 LEU 61 5.787 4.235 1.524 455 HB3 LEU 61 HB1 LEU 61 5.632 2.534 1.134 456 HG LEU 61 HG LEU 61 4.061 2.249 3.003 457 HD11 LEU 61 HD11 LEU 61 4.412 5.222 3.352 458 HD12 LEU 61 HD12 LEU 61 4.862 3.963 4.501 459 HD13 LEU 61 HD13 LEU 61 3.162 4.249 4.128 460 HD21 LEU 61 HD21 LEU 61 2.204 3.513 2.019 461 HD22 LEU 61 HD22 LEU 61 3.206 2.749 0.786 462 HD23 LEU 61 HD23 LEU 61 3.358 4.480 1.098 463 H HIS 62 HN HIS 62 6.745 1.026 4.667 464 HA HIS 62 HA HIS 62 8.296 -0.729 2.877 465 HB2 HIS 62 HB2 HIS 62 9.315 0.322 5.106 466 HB3 HIS 62 HB1 HIS 62 8.543 -1.096 5.811 467 HD1 HIS 62 HD1 HIS 62 9.408 -3.453 4.947 468 HD2 HIS 62 HD2 HIS 62 11.611 -0.166 3.681 469 HE1 HIS 62 HE1 HIS 62 11.551 -4.386 4.033 470 HE2 HIS 62 HE2 HIS 62 12.766 -2.396 3.075 471 H ALA 63 HN ALA 63 7.689 -2.730 2.567 472 HA ALA 63 HA ALA 63 5.343 -3.779 3.935 473 HB1 ALA 63 HB1 ALA 63 4.932 -4.069 1.720 474 HB2 ALA 63 HB2 ALA 63 5.867 -5.534 1.994 475 HB3 ALA 63 HB3 ALA 63 6.643 -4.121 1.300 476 HA PRO 64 HA PRO 64 7.552 -6.901 6.237 477 HB2 PRO 64 HB2 PRO 64 5.897 -8.986 4.926 478 HB3 PRO 64 HB1 PRO 64 6.087 -8.612 6.644 479 HG2 PRO 64 HG2 PRO 64 3.852 -7.957 5.385 480 HG3 PRO 64 HG1 PRO 64 4.582 -6.833 6.552 481 HD2 PRO 64 HD2 PRO 64 4.757 -6.828 3.552 482 HD3 PRO 64 HD1 PRO 64 4.405 -5.467 4.649 483 H ASP 65 HN ASP 65 8.774 -8.958 5.994 484 HA ASP 65 HA ASP 65 10.904 -8.695 4.348 485 HB2 ASP 65 HB2 ASP 65 9.619 -10.982 5.718 486 HB3 ASP 65 HB1 ASP 65 10.780 -11.404 4.472 487 H ALA 66 HN ALA 66 8.013 -10.540 3.643 488 HA ALA 66 HA ALA 66 8.983 -10.996 0.903 489 HB1 ALA 66 HB1 ALA 66 7.409 -13.014 1.107 490 HB2 ALA 66 HB2 ALA 66 7.479 -12.659 2.838 491 HB3 ALA 66 HB3 ALA 66 8.956 -13.065 1.963 492 H GLY 67 HN GLY 67 6.483 -9.733 2.919 493 HA2 GLY 67 HA2 GLY 67 4.642 -8.528 2.261 494 HA3 GLY 67 HA1 GLY 67 4.965 -9.035 0.615 495 H TRP 68 HN TRP 68 2.513 -8.991 2.151 496 HA TRP 68 HA TRP 68 1.542 -11.642 2.371 497 HB2 TRP 68 HB2 TRP 68 -0.280 -9.480 1.504 498 HB3 TRP 68 HB1 TRP 68 -0.401 -10.559 2.881 499 HD1 TRP 68 HD1 TRP 68 0.405 -9.693 5.192 500 HE1 TRP 68 HE1 TRP 68 1.283 -7.439 6.024 501 HE3 TRP 68 HE3 TRP 68 1.194 -7.355 0.707 502 HZ2 TRP 68 HZ2 TRP 68 2.138 -4.980 4.977 503 HZ3 TRP 68 HZ3 TRP 68 2.030 -5.049 0.715 504 HH2 TRP 68 HH2 TRP 68 2.500 -3.884 2.810 505 H GLY 69 HN GLY 69 1.343 -9.084 0.026 506 HA2 GLY 69 HA2 GLY 69 2.051 -10.498 -2.238 507 HA3 GLY 69 HA1 GLY 69 0.305 -10.527 -2.099 508 H ASN 70 HN ASN 70 -0.829 -8.578 -1.891 509 HA ASN 70 HA ASN 70 0.432 -6.203 -2.939 510 HB2 ASN 70 HB2 ASN 70 -1.523 -6.139 -4.663 511 HB3 ASN 70 HB1 ASN 70 -0.020 -6.950 -5.044 512 HD21 ASN 70 HD21 ASN 70 -1.063 -8.178 -6.597 513 HD22 ASN 70 HD22 ASN 70 -2.113 -9.481 -6.193 514 H LEU 71 HN LEU 71 -2.743 -7.679 -2.494 515 HA LEU 71 HA LEU 71 -4.659 -6.970 -1.565 516 HB2 LEU 71 HB2 LEU 71 -2.909 -5.331 0.200 517 HB3 LEU 71 HB1 LEU 71 -4.527 -5.893 0.527 518 HG LEU 71 HG LEU 71 -3.135 -7.232 1.878 519 HD11 LEU 71 HD11 LEU 71 -3.465 -9.487 1.022 520 HD12 LEU 71 HD12 LEU 71 -3.836 -8.820 -0.568 521 HD13 LEU 71 HD13 LEU 71 -4.895 -8.480 0.801 522 HD21 LEU 71 HD21 LEU 71 -1.124 -8.162 1.352 523 HD22 LEU 71 HD22 LEU 71 -1.086 -6.691 0.363 524 HD23 LEU 71 HD23 LEU 71 -1.496 -8.243 -0.370 525 H VAL 72 HN VAL 72 -5.911 -5.122 -0.899 526 HA VAL 72 HA VAL 72 -5.383 -3.041 -2.901 527 HB VAL 72 HB VAL 72 -7.423 -4.085 -3.306 528 HG11 VAL 72 HG11 VAL 72 -8.643 -3.671 -0.664 529 HG12 VAL 72 HG12 VAL 72 -7.250 -4.779 -0.676 530 HG13 VAL 72 HG13 VAL 72 -8.665 -5.096 -1.717 531 HG21 VAL 72 HG21 VAL 72 -8.994 -2.324 -3.109 532 HG22 VAL 72 HG22 VAL 72 -7.394 -1.571 -3.211 533 HG23 VAL 72 HG23 VAL 72 -8.216 -1.697 -1.653 534 H TYR 73 HN TYR 73 -4.228 -1.501 -1.973 535 HA TYR 73 HA TYR 73 -4.542 -0.712 0.725 536 HB2 TYR 73 HB2 TYR 73 -3.167 0.735 -1.536 537 HB3 TYR 73 HB1 TYR 73 -2.963 1.055 0.186 538 HD1 TYR 73 HD1 TYR 73 -0.889 0.200 -2.003 539 HD2 TYR 73 HD2 TYR 73 -3.010 -1.884 1.030 540 HE1 TYR 73 HE1 TYR 73 0.927 -1.435 -1.869 541 HE2 TYR 73 HE2 TYR 73 -1.187 -3.533 1.175 542 HH TYR 73 HH TYR 73 0.629 -4.379 -0.421 543 H VAL 74 HN VAL 74 -5.349 1.048 1.629 544 HA VAL 74 HA VAL 74 -7.526 2.377 0.186 545 HB VAL 74 HB VAL 74 -7.171 1.171 2.890 546 HG11 VAL 74 HG11 VAL 74 -9.173 3.356 2.273 547 HG12 VAL 74 HG12 VAL 74 -7.888 3.395 3.490 548 HG13 VAL 74 HG13 VAL 74 -9.252 2.287 3.677 549 HG21 VAL 74 HG21 VAL 74 -9.380 0.258 2.406 550 HG22 VAL 74 HG22 VAL 74 -8.196 -0.102 1.151 551 HG23 VAL 74 HG23 VAL 74 -9.405 1.152 0.884 552 H VAL 75 HN VAL 75 -8.139 4.519 1.530 553 HA VAL 75 HA VAL 75 -5.731 6.077 1.054 554 HB VAL 75 HB VAL 75 -7.465 6.565 -0.529 555 HG11 VAL 75 HG11 VAL 75 -9.275 7.530 1.631 556 HG12 VAL 75 HG12 VAL 75 -9.181 5.818 1.232 557 HG13 VAL 75 HG13 VAL 75 -9.660 6.980 -0.011 558 HG21 VAL 75 HG21 VAL 75 -7.381 8.812 1.467 559 HG22 VAL 75 HG22 VAL 75 -7.678 8.924 -0.269 560 HG23 VAL 75 HG23 VAL 75 -6.090 8.444 0.325 561 H ASN 76 HN ASN 76 -4.755 6.380 3.112 562 HA ASN 76 HA ASN 76 -6.399 8.373 4.527 563 HB2 ASN 76 HB2 ASN 76 -4.860 7.632 6.584 564 HB3 ASN 76 HB1 ASN 76 -6.421 6.922 6.269 565 HD21 ASN 76 HD21 ASN 76 -4.082 5.953 7.705 566 HD22 ASN 76 HD22 ASN 76 -3.674 4.438 6.963 567 H TYR 77 HN TYR 77 -5.555 10.343 4.369 568 HA TYR 77 HA TYR 77 -2.773 10.648 5.124 569 HB2 TYR 77 HB2 TYR 77 -2.719 12.589 3.438 570 HB3 TYR 77 HB1 TYR 77 -2.261 10.975 2.944 571 HD1 TYR 77 HD1 TYR 77 -3.545 9.774 1.383 572 HD2 TYR 77 HD2 TYR 77 -4.858 13.596 2.667 573 HE1 TYR 77 HE1 TYR 77 -5.114 9.835 -0.502 574 HE2 TYR 77 HE2 TYR 77 -6.444 13.694 0.789 575 HH TYR 77 HH TYR 77 -7.089 10.952 -1.233
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