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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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653867 |
6yhx ![]() ![]() |
34510 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 26 HT1 SER 26 -2.272 27.488 -8.765 2 H2 SER 26 HT2 SER 26 -2.019 29.155 -8.905 3 H3 SER 26 HT3 SER 26 -3.303 28.423 -9.727 4 HA SER 26 HA SER 26 -4.106 29.605 -7.805 5 HB2 SER 26 HB2 SER 26 -5.285 27.566 -8.513 6 HB3 SER 26 HB1 SER 26 -4.229 26.593 -7.490 7 HG SER 26 HG SER 26 -6.092 26.984 -6.349 8 H ASN 27 HN ASN 27 -1.832 27.014 -6.935 9 HA ASN 27 HA ASN 27 -0.685 28.569 -4.841 10 HB2 ASN 27 HB2 ASN 27 -2.756 27.884 -3.702 11 HB3 ASN 27 HB1 ASN 27 -2.378 26.196 -4.025 12 HD21 ASN 27 HD21 ASN 27 0.016 28.587 -3.157 13 HD22 ASN 27 HD22 ASN 27 0.378 27.940 -1.596 14 H LYS 28 HN LYS 28 1.388 28.040 -4.927 15 HA LYS 28 HA LYS 28 2.292 25.628 -6.165 16 HB2 LYS 28 HB2 LYS 28 3.753 27.839 -4.722 17 HB3 LYS 28 HB1 LYS 28 4.568 26.473 -5.473 18 HG2 LYS 28 HG2 LYS 28 3.625 27.122 -7.643 19 HG3 LYS 28 HG1 LYS 28 2.854 28.512 -6.877 20 HD2 LYS 28 HD2 LYS 28 4.996 29.444 -6.293 21 HD3 LYS 28 HD1 LYS 28 5.826 28.000 -6.878 22 HE2 LYS 28 HE2 LYS 28 4.196 29.892 -8.569 23 HE3 LYS 28 HE1 LYS 28 5.956 29.859 -8.480 24 HZ1 LYS 28 HZ1 LYS 28 4.234 27.634 -9.435 25 HZ2 LYS 28 HZ2 LYS 28 5.923 27.606 -9.354 26 HZ3 LYS 28 HZ3 LYS 28 5.146 28.668 -10.417 27 H GLY 29 HN GLY 29 1.600 26.594 -2.931 28 HA2 GLY 29 HA2 GLY 29 3.218 24.548 -1.683 29 HA3 GLY 29 HA1 GLY 29 2.080 25.617 -0.877 30 H ALA 30 HN ALA 30 0.026 24.781 -2.957 31 HA ALA 30 HA ALA 30 -1.407 22.968 -1.453 32 HB1 ALA 30 HB1 ALA 30 -2.369 24.330 -3.244 33 HB2 ALA 30 HB2 ALA 30 -2.797 22.629 -3.418 34 HB3 ALA 30 HB3 ALA 30 -1.546 23.331 -4.442 35 H ILE 31 HN ILE 31 0.966 22.321 -3.985 36 HA ILE 31 HA ILE 31 0.431 19.505 -4.058 37 HB ILE 31 HB ILE 31 1.370 20.717 -6.003 38 HG12 ILE 31 HG12 ILE 31 3.108 18.492 -4.905 39 HG13 ILE 31 HG11 ILE 31 1.609 18.283 -5.808 40 HG21 ILE 31 HG21 ILE 31 3.739 21.319 -6.028 41 HG22 ILE 31 HG22 ILE 31 3.877 20.861 -4.330 42 HG23 ILE 31 HG23 ILE 31 2.861 22.225 -4.795 43 HD11 ILE 31 HD11 ILE 31 4.169 19.471 -6.853 44 HD12 ILE 31 HD12 ILE 31 2.663 19.334 -7.760 45 HD13 ILE 31 HD13 ILE 31 3.510 17.880 -7.234 46 H ILE 32 HN ILE 32 2.549 21.607 -2.263 47 HA ILE 32 HA ILE 32 4.448 19.740 -1.386 48 HB ILE 32 HB ILE 32 3.409 22.139 0.131 49 HG12 ILE 32 HG12 ILE 32 4.180 22.767 -2.106 50 HG13 ILE 32 HG11 ILE 32 5.299 23.352 -0.880 51 HG21 ILE 32 HG21 ILE 32 4.676 20.671 1.564 52 HG22 ILE 32 HG22 ILE 32 5.636 22.106 1.204 53 HG23 ILE 32 HG23 ILE 32 5.981 20.584 0.379 54 HD11 ILE 32 HD11 ILE 32 6.470 22.468 -2.815 55 HD12 ILE 32 HD12 ILE 32 5.685 20.906 -2.590 56 HD13 ILE 32 HD13 ILE 32 6.811 21.510 -1.376 57 H GLY 33 HN GLY 33 1.144 20.209 -0.531 58 HA2 GLY 33 HA2 GLY 33 1.328 18.829 2.006 59 HA3 GLY 33 HA1 GLY 33 -0.144 19.373 1.216 60 H LEU 34 HN LEU 34 0.914 17.974 -1.290 61 HA LEU 34 HA LEU 34 -0.352 15.430 -0.714 62 HB2 LEU 34 HB2 LEU 34 0.739 16.495 -3.320 63 HB3 LEU 34 HB1 LEU 34 -0.292 15.091 -3.123 64 HG LEU 34 HG LEU 34 -1.197 17.839 -2.303 65 HD11 LEU 34 HD11 LEU 34 -1.528 16.521 -4.993 66 HD12 LEU 34 HD12 LEU 34 -0.578 17.967 -4.646 67 HD13 LEU 34 HD13 LEU 34 -2.333 17.999 -4.466 68 HD21 LEU 34 HD21 LEU 34 -2.665 15.305 -3.024 69 HD22 LEU 34 HD22 LEU 34 -3.418 16.843 -2.598 70 HD23 LEU 34 HD23 LEU 34 -2.459 15.970 -1.402 71 H MET 35 HN MET 35 2.670 16.543 -0.320 72 HA MET 35 HA MET 35 4.225 14.472 -1.528 73 HB2 MET 35 HB2 MET 35 5.142 16.706 -0.977 74 HB3 MET 35 HB1 MET 35 4.959 16.342 0.733 75 HG2 MET 35 HG2 MET 35 7.255 16.042 0.014 76 HG3 MET 35 HG1 MET 35 6.547 14.512 0.529 77 HE1 MET 35 HE1 MET 35 5.932 16.407 -2.869 78 HE2 MET 35 HE2 MET 35 7.174 15.686 -3.892 79 HE3 MET 35 HE3 MET 35 7.635 16.714 -2.532 80 H VAL 36 HN VAL 36 3.285 15.154 1.842 81 HA VAL 36 HA VAL 36 4.335 12.692 2.828 82 HB VAL 36 HB VAL 36 3.177 13.259 4.927 83 HG11 VAL 36 HG11 VAL 36 4.403 15.314 5.404 84 HG12 VAL 36 HG12 VAL 36 4.628 15.590 3.677 85 HG13 VAL 36 HG13 VAL 36 5.383 14.196 4.452 86 HG21 VAL 36 HG21 VAL 36 2.080 15.586 3.349 87 HG22 VAL 36 HG22 VAL 36 1.953 15.390 5.096 88 HG23 VAL 36 HG23 VAL 36 1.153 14.244 4.021 89 H GLY 37 HN GLY 37 1.210 13.746 1.653 90 HA2 GLY 37 HA2 GLY 37 -0.152 11.374 2.605 91 HA3 GLY 37 HA1 GLY 37 -0.845 12.654 1.621 92 H GLY 38 HN GLY 38 1.723 12.171 -0.121 93 HA2 GLY 38 HA2 GLY 38 0.384 10.227 -1.845 94 HA3 GLY 38 HA1 GLY 38 1.694 11.299 -2.312 95 H VAL 39 HN VAL 39 3.105 10.408 0.262 96 HA VAL 39 HA VAL 39 4.482 8.181 -0.983 97 HB VAL 39 HB VAL 39 6.062 8.379 0.926 98 HG11 VAL 39 HG11 VAL 39 6.983 10.564 0.263 99 HG12 VAL 39 HG12 VAL 39 5.472 10.930 -0.570 100 HG13 VAL 39 HG13 VAL 39 6.485 9.598 -1.124 101 HG21 VAL 39 HG21 VAL 39 4.495 9.201 2.609 102 HG22 VAL 39 HG22 VAL 39 4.318 10.711 1.718 103 HG23 VAL 39 HG23 VAL 39 5.871 10.292 2.441 104 H VAL 40 HN VAL 40 2.480 8.780 1.854 105 HA VAL 40 HA VAL 40 2.873 6.291 3.119 106 HB VAL 40 HB VAL 40 0.478 8.131 3.246 107 HG11 VAL 40 HG11 VAL 40 1.292 5.849 5.044 108 HG12 VAL 40 HG12 VAL 40 -0.132 5.916 4.004 109 HG13 VAL 40 HG13 VAL 40 0.002 7.000 5.390 110 HG21 VAL 40 HG21 VAL 40 1.478 9.017 5.254 111 HG22 VAL 40 HG22 VAL 40 2.630 9.150 3.924 112 HG23 VAL 40 HG23 VAL 40 2.819 7.878 5.132 113 H ILE 41 HN ILE 41 0.301 7.416 0.923 114 HA ILE 41 HA ILE 41 -1.136 5.000 0.843 115 HB ILE 41 HB ILE 41 -0.954 7.091 -1.333 116 HG12 ILE 41 HG12 ILE 41 -2.912 6.878 0.967 117 HG13 ILE 41 HG11 ILE 41 -1.571 8.018 0.892 118 HG21 ILE 41 HG21 ILE 41 -1.956 5.036 -2.122 119 HG22 ILE 41 HG22 ILE 41 -3.200 6.275 -1.949 120 HG23 ILE 41 HG23 ILE 41 -3.048 5.003 -0.736 121 HD11 ILE 41 HD11 ILE 41 -2.565 9.080 -1.053 122 HD12 ILE 41 HD12 ILE 41 -3.694 9.061 0.303 123 HD13 ILE 41 HD13 ILE 41 -3.890 7.917 -1.024 124 H ALA 42 HN ALA 42 1.775 6.016 -0.724 125 HA ALA 42 HA ALA 42 1.682 3.963 -2.757 126 HB1 ALA 42 HB1 ALA 42 3.855 4.802 -3.436 127 HB2 ALA 42 HB2 ALA 42 3.952 5.793 -1.979 128 HB3 ALA 42 HB3 ALA 42 2.731 6.141 -3.205 129 H THR 43 HN THR 43 2.868 4.309 0.466 130 HA THR 43 HA THR 43 4.774 2.153 0.293 131 HB THR 43 HB THR 43 3.662 3.518 2.752 132 HG1 THR 43 HG1 THR 43 5.018 5.072 2.294 133 HG21 THR 43 HG21 THR 43 4.667 1.325 3.217 134 HG22 THR 43 HG22 THR 43 5.648 2.638 3.872 135 HG23 THR 43 HG23 THR 43 6.140 1.828 2.385 136 H VAL 44 HN VAL 44 1.513 2.608 1.609 137 HA VAL 44 HA VAL 44 1.247 0.088 2.815 138 HB VAL 44 HB VAL 44 -0.312 1.920 3.268 139 HG11 VAL 44 HG11 VAL 44 -0.475 2.892 1.061 140 HG12 VAL 44 HG12 VAL 44 -2.084 2.468 1.646 141 HG13 VAL 44 HG13 VAL 44 -1.282 1.446 0.453 142 HG21 VAL 44 HG21 VAL 44 -2.402 0.625 3.214 143 HG22 VAL 44 HG22 VAL 44 -1.033 -0.347 3.757 144 HG23 VAL 44 HG23 VAL 44 -1.648 -0.526 2.112 145 H THR 45 HN THR 45 0.895 1.134 -0.498 146 HA THR 45 HA THR 45 -0.517 -1.097 -1.491 147 HB THR 45 HB THR 45 1.444 0.671 -2.971 148 HG1 THR 45 HG1 THR 45 -0.130 2.099 -3.067 149 HG21 THR 45 HG21 THR 45 0.158 0.006 -4.966 150 HG22 THR 45 HG22 THR 45 -0.786 -1.105 -3.974 151 HG23 THR 45 HG23 THR 45 0.944 -1.372 -4.196 152 H VAL 46 HN VAL 46 2.914 -0.454 -1.017 153 HA VAL 46 HA VAL 46 3.869 -2.752 -2.383 154 HB VAL 46 HB VAL 46 5.247 -1.254 -0.151 155 HG11 VAL 46 HG11 VAL 46 7.302 -2.048 -1.228 156 HG12 VAL 46 HG12 VAL 46 6.336 -2.942 -2.401 157 HG13 VAL 46 HG13 VAL 46 6.283 -3.387 -0.696 158 HG21 VAL 46 HG21 VAL 46 4.553 0.314 -1.864 159 HG22 VAL 46 HG22 VAL 46 5.252 -0.710 -3.118 160 HG23 VAL 46 HG23 VAL 46 6.300 0.075 -1.936 161 H ILE 47 HN ILE 47 3.083 -2.089 1.002 162 HA ILE 47 HA ILE 47 3.992 -4.570 2.023 163 HB ILE 47 HB ILE 47 1.860 -2.778 3.189 164 HG12 ILE 47 HG12 ILE 47 3.909 -1.507 2.765 165 HG13 ILE 47 HG11 ILE 47 3.685 -1.758 4.493 166 HG21 ILE 47 HG21 ILE 47 1.930 -5.002 4.183 167 HG22 ILE 47 HG22 ILE 47 2.500 -3.783 5.322 168 HG23 ILE 47 HG23 ILE 47 3.659 -4.820 4.489 169 HD11 ILE 47 HD11 ILE 47 5.332 -3.555 4.447 170 HD12 ILE 47 HD12 ILE 47 6.007 -2.040 3.848 171 HD13 ILE 47 HD13 ILE 47 5.551 -3.310 2.713 172 H THR 48 HN THR 48 0.921 -3.477 0.701 173 HA THR 48 HA THR 48 -0.692 -5.620 1.516 174 HB THR 48 HB THR 48 -0.928 -4.000 -1.031 175 HG1 THR 48 HG1 THR 48 -1.542 -3.486 1.644 176 HG21 THR 48 HG21 THR 48 -2.295 -6.016 -1.098 177 HG22 THR 48 HG22 THR 48 -3.316 -4.594 -0.898 178 HG23 THR 48 HG23 THR 48 -2.970 -5.631 0.486 179 H LEU 49 HN LEU 49 1.386 -5.213 -1.314 180 HA LEU 49 HA LEU 49 0.622 -7.563 -2.663 181 HB2 LEU 49 HB2 LEU 49 1.869 -5.735 -3.728 182 HB3 LEU 49 HB1 LEU 49 3.262 -6.097 -2.728 183 HG LEU 49 HG LEU 49 3.409 -8.333 -3.806 184 HD11 LEU 49 HD11 LEU 49 1.081 -8.573 -4.474 185 HD12 LEU 49 HD12 LEU 49 2.154 -8.730 -5.866 186 HD13 LEU 49 HD13 LEU 49 1.255 -7.234 -5.608 187 HD21 LEU 49 HD21 LEU 49 4.784 -6.489 -4.594 188 HD22 LEU 49 HD22 LEU 49 3.489 -5.964 -5.672 189 HD23 LEU 49 HD23 LEU 49 4.289 -7.514 -5.941 190 H VAL 50 HN VAL 50 2.892 -6.954 -0.074 191 HA VAL 50 HA VAL 50 4.140 -9.538 -0.221 192 HB VAL 50 HB VAL 50 4.176 -7.552 2.059 193 HG11 VAL 50 HG11 VAL 50 4.858 -9.761 2.769 194 HG12 VAL 50 HG12 VAL 50 6.266 -8.703 2.688 195 HG13 VAL 50 HG13 VAL 50 5.976 -9.883 1.411 196 HG21 VAL 50 HG21 VAL 50 6.305 -6.789 1.143 197 HG22 VAL 50 HG22 VAL 50 4.997 -6.552 -0.016 198 HG23 VAL 50 HG23 VAL 50 6.125 -7.893 -0.220 199 H MET 51 HN MET 51 1.396 -8.144 1.397 200 HA MET 51 HA MET 51 1.054 -10.017 3.458 201 HB2 MET 51 HB2 MET 51 -0.157 -7.804 3.149 202 HB3 MET 51 HB1 MET 51 -1.183 -8.625 1.983 203 HG2 MET 51 HG2 MET 51 -0.861 -9.554 4.822 204 HG3 MET 51 HG1 MET 51 -2.097 -8.406 4.316 205 HE1 MET 51 HE1 MET 51 -4.258 -10.542 1.858 206 HE2 MET 51 HE2 MET 51 -2.890 -9.515 1.428 207 HE3 MET 51 HE3 MET 51 -4.049 -8.975 2.641 208 H LEU 52 HN LEU 52 -0.455 -9.901 0.227 209 HA LEU 52 HA LEU 52 -1.730 -12.417 0.475 210 HB2 LEU 52 HB2 LEU 52 -2.013 -12.251 -1.996 211 HB3 LEU 52 HB1 LEU 52 -2.590 -10.856 -1.107 212 HG LEU 52 HG LEU 52 -0.227 -9.869 -1.681 213 HD11 LEU 52 HD11 LEU 52 0.727 -11.867 -2.647 214 HD12 LEU 52 HD12 LEU 52 0.563 -10.625 -3.887 215 HD13 LEU 52 HD13 LEU 52 -0.586 -11.962 -3.820 216 HD21 LEU 52 HD21 LEU 52 -1.160 -8.923 -3.739 217 HD22 LEU 52 HD22 LEU 52 -2.339 -8.934 -2.428 218 HD23 LEU 52 HD23 LEU 52 -2.437 -10.140 -3.712 219 H LYS 53 HN LYS 53 1.494 -11.504 -0.233 220 HA LYS 53 HA LYS 53 2.241 -13.814 -1.729 221 HB2 LYS 53 HB2 LYS 53 3.464 -11.597 -1.693 222 HB3 LYS 53 HB1 LYS 53 4.067 -12.041 -0.103 223 HG2 LYS 53 HG2 LYS 53 5.234 -13.934 -1.010 224 HG3 LYS 53 HG1 LYS 53 4.521 -13.655 -2.600 225 HD2 LYS 53 HD2 LYS 53 5.648 -11.439 -2.653 226 HD3 LYS 53 HD1 LYS 53 6.449 -11.856 -1.138 227 HE2 LYS 53 HE2 LYS 53 7.543 -13.738 -2.192 228 HE3 LYS 53 HE1 LYS 53 6.670 -13.439 -3.694 229 HZ1 LYS 53 HZ1 LYS 53 8.626 -11.585 -2.443 230 HZ2 LYS 53 HZ2 LYS 53 7.803 -11.320 -3.898 231 HZ3 LYS 53 HZ3 LYS 53 8.928 -12.577 -3.781 232 H LYS 54 HN LYS 54 1.594 -13.268 1.554 233 HA LYS 54 HA LYS 54 3.352 -15.200 2.691 234 HB2 LYS 54 HB2 LYS 54 0.763 -14.020 3.722 235 HB3 LYS 54 HB1 LYS 54 1.829 -15.048 4.668 236 HG2 LYS 54 HG2 LYS 54 3.595 -13.410 4.536 237 HG3 LYS 54 HG1 LYS 54 2.617 -12.401 3.470 238 HD2 LYS 54 HD2 LYS 54 0.986 -12.075 5.246 239 HD3 LYS 54 HD1 LYS 54 1.910 -13.136 6.310 240 HE2 LYS 54 HE2 LYS 54 3.785 -11.589 6.253 241 HE3 LYS 54 HE1 LYS 54 2.913 -10.548 5.131 242 HZ1 LYS 54 HZ1 LYS 54 1.249 -10.158 6.832 243 HZ2 LYS 54 HZ2 LYS 54 2.782 -9.723 7.398 244 HZ3 LYS 54 HZ3 LYS 54 2.072 -11.170 7.909 245 H LYS 55 HN LYS 55 0.980 -15.575 0.536 246 HA LYS 55 HA LYS 55 -0.791 -17.481 1.236 247 HB2 LYS 55 HB2 LYS 55 -0.540 -18.358 -1.117 248 HB3 LYS 55 HB1 LYS 55 -0.796 -16.623 -0.979 249 HG2 LYS 55 HG2 LYS 55 1.596 -16.240 -1.290 250 HG3 LYS 55 HG1 LYS 55 1.851 -17.980 -1.442 251 HD2 LYS 55 HD2 LYS 55 0.482 -18.047 -3.432 252 HD3 LYS 55 HD1 LYS 55 0.081 -16.337 -3.250 253 HE2 LYS 55 HE2 LYS 55 1.845 -16.785 -4.946 254 HE3 LYS 55 HE1 LYS 55 2.352 -15.696 -3.655 255 HZ1 LYS 55 HZ1 LYS 55 2.995 -18.591 -3.860 256 HZ2 LYS 55 HZ2 LYS 55 3.439 -17.586 -2.573 257 HZ3 LYS 55 HZ3 LYS 55 4.068 -17.307 -4.118 Start of MODEL 2 1 H1 SER 26 HT1 SER 26 -4.162 27.727 -12.062 2 H2 SER 26 HT2 SER 26 -3.122 26.661 -12.863 3 H3 SER 26 HT3 SER 26 -3.392 28.209 -13.490 4 HA SER 26 HA SER 26 -1.247 28.098 -12.425 5 HB2 SER 26 HB2 SER 26 -1.538 30.007 -10.875 6 HB3 SER 26 HB1 SER 26 -2.450 30.228 -12.368 7 HG SER 26 HG SER 26 -4.046 28.979 -10.694 8 H ASN 27 HN ASN 27 -0.254 26.580 -11.281 9 HA ASN 27 HA ASN 27 -0.767 26.331 -8.468 10 HB2 ASN 27 HB2 ASN 27 -1.178 23.900 -8.491 11 HB3 ASN 27 HB1 ASN 27 -2.460 24.784 -9.311 12 HD21 ASN 27 HD21 ASN 27 -1.641 22.000 -9.570 13 HD22 ASN 27 HD22 ASN 27 -1.257 21.766 -11.239 14 H LYS 28 HN LYS 28 1.100 25.987 -7.449 15 HA LYS 28 HA LYS 28 3.263 24.596 -8.860 16 HB2 LYS 28 HB2 LYS 28 3.659 26.989 -9.163 17 HB3 LYS 28 HB1 LYS 28 3.540 27.246 -7.429 18 HG2 LYS 28 HG2 LYS 28 5.848 27.258 -8.071 19 HG3 LYS 28 HG1 LYS 28 5.528 25.808 -7.117 20 HD2 LYS 28 HD2 LYS 28 5.341 24.506 -9.200 21 HD3 LYS 28 HD1 LYS 28 5.716 25.961 -10.126 22 HE2 LYS 28 HE2 LYS 28 7.887 26.106 -8.988 23 HE3 LYS 28 HE1 LYS 28 7.510 24.634 -8.096 24 HZ1 LYS 28 HZ1 LYS 28 8.905 24.142 -9.982 25 HZ2 LYS 28 HZ2 LYS 28 7.803 24.865 -11.042 26 HZ3 LYS 28 HZ3 LYS 28 7.378 23.452 -10.217 27 H GLY 29 HN GLY 29 2.632 26.226 -5.744 28 HA2 GLY 29 HA2 GLY 29 4.126 24.205 -4.316 29 HA3 GLY 29 HA1 GLY 29 3.310 25.593 -3.614 30 H ALA 30 HN ALA 30 0.821 24.746 -5.142 31 HA ALA 30 HA ALA 30 -0.504 23.474 -3.054 32 HB1 ALA 30 HB1 ALA 30 -2.344 23.157 -4.612 33 HB2 ALA 30 HB2 ALA 30 -1.270 23.492 -5.969 34 HB3 ALA 30 HB3 ALA 30 -1.637 24.760 -4.800 35 H ILE 31 HN ILE 31 1.282 22.107 -5.735 36 HA ILE 31 HA ILE 31 0.268 19.437 -5.248 37 HB ILE 31 HB ILE 31 0.784 20.161 -7.549 38 HG12 ILE 31 HG12 ILE 31 2.518 17.889 -6.546 39 HG13 ILE 31 HG11 ILE 31 0.808 17.773 -6.943 40 HG21 ILE 31 HG21 ILE 31 3.645 20.183 -6.590 41 HG22 ILE 31 HG22 ILE 31 2.696 21.586 -7.082 42 HG23 ILE 31 HG23 ILE 31 3.124 20.352 -8.266 43 HD11 ILE 31 HD11 ILE 31 1.317 18.318 -9.271 44 HD12 ILE 31 HD12 ILE 31 2.169 16.873 -8.727 45 HD13 ILE 31 HD13 ILE 31 3.032 18.406 -8.869 46 H ILE 32 HN ILE 32 3.049 21.358 -4.407 47 HA ILE 32 HA ILE 32 4.873 19.348 -3.745 48 HB ILE 32 HB ILE 32 4.533 22.012 -2.360 49 HG12 ILE 32 HG12 ILE 32 6.241 21.243 -4.741 50 HG13 ILE 32 HG11 ILE 32 4.785 22.231 -4.804 51 HG21 ILE 32 HG21 ILE 32 6.901 21.769 -1.786 52 HG22 ILE 32 HG22 ILE 32 6.917 20.173 -2.538 53 HG23 ILE 32 HG23 ILE 32 5.931 20.463 -1.104 54 HD11 ILE 32 HD11 ILE 32 5.892 23.929 -3.433 55 HD12 ILE 32 HD12 ILE 32 6.770 23.608 -4.927 56 HD13 ILE 32 HD13 ILE 32 7.351 22.942 -3.402 57 H GLY 33 HN GLY 33 2.041 20.494 -2.087 58 HA2 GLY 33 HA2 GLY 33 2.712 19.238 0.428 59 HA3 GLY 33 HA1 GLY 33 1.187 20.007 0.017 60 H LEU 34 HN LEU 34 1.217 18.270 -2.512 61 HA LEU 34 HA LEU 34 -0.285 16.097 -1.336 62 HB2 LEU 34 HB2 LEU 34 0.356 16.558 -4.247 63 HB3 LEU 34 HB1 LEU 34 -0.912 15.542 -3.592 64 HG LEU 34 HG LEU 34 -0.812 18.552 -3.384 65 HD11 LEU 34 HD11 LEU 34 -1.223 17.773 -5.665 66 HD12 LEU 34 HD12 LEU 34 -2.659 18.521 -4.966 67 HD13 LEU 34 HD13 LEU 34 -2.547 16.765 -5.080 68 HD21 LEU 34 HD21 LEU 34 -3.093 18.348 -2.531 69 HD22 LEU 34 HD22 LEU 34 -1.938 17.526 -1.481 70 HD23 LEU 34 HD23 LEU 34 -2.955 16.590 -2.575 71 H MET 35 HN MET 35 2.908 16.573 -1.802 72 HA MET 35 HA MET 35 3.721 14.121 -2.994 73 HB2 MET 35 HB2 MET 35 5.166 16.102 -2.969 74 HB3 MET 35 HB1 MET 35 5.259 16.024 -1.215 75 HG2 MET 35 HG2 MET 35 6.395 13.879 -1.357 76 HG3 MET 35 HG1 MET 35 6.279 13.923 -3.115 77 HE1 MET 35 HE1 MET 35 8.803 16.878 -0.621 78 HE2 MET 35 HE2 MET 35 7.867 15.554 0.076 79 HE3 MET 35 HE3 MET 35 7.039 16.922 -0.668 80 H VAL 36 HN VAL 36 3.385 15.229 0.357 81 HA VAL 36 HA VAL 36 4.395 12.857 1.540 82 HB VAL 36 HB VAL 36 3.367 13.680 3.629 83 HG11 VAL 36 HG11 VAL 36 4.826 15.791 2.043 84 HG12 VAL 36 HG12 VAL 36 5.568 14.481 2.960 85 HG13 VAL 36 HG13 VAL 36 4.671 15.746 3.798 86 HG21 VAL 36 HG21 VAL 36 2.265 15.875 1.875 87 HG22 VAL 36 HG22 VAL 36 2.211 15.847 3.637 88 HG23 VAL 36 HG23 VAL 36 1.326 14.636 2.709 89 H GLY 37 HN GLY 37 1.218 13.849 0.444 90 HA2 GLY 37 HA2 GLY 37 -0.141 11.653 1.740 91 HA3 GLY 37 HA1 GLY 37 -0.846 12.794 0.608 92 H GLY 38 HN GLY 38 1.631 12.032 -1.141 93 HA2 GLY 38 HA2 GLY 38 0.214 9.892 -2.528 94 HA3 GLY 38 HA1 GLY 38 1.550 10.839 -3.166 95 H VAL 39 HN VAL 39 3.039 10.340 -0.582 96 HA VAL 39 HA VAL 39 4.265 7.858 -1.443 97 HB VAL 39 HB VAL 39 5.978 8.350 0.267 98 HG11 VAL 39 HG11 VAL 39 6.237 9.222 -1.989 99 HG12 VAL 39 HG12 VAL 39 6.892 10.355 -0.806 100 HG13 VAL 39 HG13 VAL 39 5.323 10.665 -1.552 101 HG21 VAL 39 HG21 VAL 39 5.925 10.503 1.449 102 HG22 VAL 39 HG22 VAL 39 4.582 9.459 1.919 103 HG23 VAL 39 HG23 VAL 39 4.307 10.803 0.811 104 H VAL 40 HN VAL 40 2.384 9.067 1.268 105 HA VAL 40 HA VAL 40 2.797 6.902 3.023 106 HB VAL 40 HB VAL 40 0.642 7.636 4.088 107 HG11 VAL 40 HG11 VAL 40 1.528 9.826 4.820 108 HG12 VAL 40 HG12 VAL 40 2.730 9.740 3.530 109 HG13 VAL 40 HG13 VAL 40 2.748 8.550 4.832 110 HG21 VAL 40 HG21 VAL 40 -0.357 9.741 3.290 111 HG22 VAL 40 HG22 VAL 40 -0.511 8.439 2.111 112 HG23 VAL 40 HG23 VAL 40 0.705 9.695 1.884 113 H ILE 41 HN ILE 41 0.332 7.498 0.545 114 HA ILE 41 HA ILE 41 -1.050 5.034 1.086 115 HB ILE 41 HB ILE 41 -1.296 6.836 -1.329 116 HG12 ILE 41 HG12 ILE 41 -2.947 6.804 1.210 117 HG13 ILE 41 HG11 ILE 41 -1.718 8.007 0.828 118 HG21 ILE 41 HG21 ILE 41 -3.517 5.801 -1.561 119 HG22 ILE 41 HG22 ILE 41 -3.143 4.728 -0.212 120 HG23 ILE 41 HG23 ILE 41 -2.214 4.621 -1.705 121 HD11 ILE 41 HD11 ILE 41 -3.017 8.715 -1.111 122 HD12 ILE 41 HD12 ILE 41 -3.948 8.847 0.379 123 HD13 ILE 41 HD13 ILE 41 -4.245 7.509 -0.730 124 H ALA 42 HN ALA 42 1.616 6.013 -0.863 125 HA ALA 42 HA ALA 42 1.459 3.809 -2.708 126 HB1 ALA 42 HB1 ALA 42 2.462 5.937 -3.381 127 HB2 ALA 42 HB2 ALA 42 3.609 4.605 -3.535 128 HB3 ALA 42 HB3 ALA 42 3.730 5.719 -2.174 129 H THR 43 HN THR 43 2.941 4.452 0.367 130 HA THR 43 HA THR 43 4.860 2.348 0.282 131 HB THR 43 HB THR 43 3.665 3.753 2.680 132 HG1 THR 43 HG1 THR 43 4.987 5.315 2.161 133 HG21 THR 43 HG21 THR 43 6.160 2.068 2.431 134 HG22 THR 43 HG22 THR 43 4.690 1.627 3.300 135 HG23 THR 43 HG23 THR 43 5.675 2.978 3.862 136 H VAL 44 HN VAL 44 1.586 2.644 1.609 137 HA VAL 44 HA VAL 44 1.519 0.069 2.792 138 HB VAL 44 HB VAL 44 -0.033 1.904 3.413 139 HG11 VAL 44 HG11 VAL 44 -2.010 2.319 2.014 140 HG12 VAL 44 HG12 VAL 44 -1.321 1.291 0.757 141 HG13 VAL 44 HG13 VAL 44 -0.512 2.792 1.212 142 HG21 VAL 44 HG21 VAL 44 -0.549 -0.393 4.026 143 HG22 VAL 44 HG22 VAL 44 -1.363 -0.640 2.481 144 HG23 VAL 44 HG23 VAL 44 -2.027 0.496 3.657 145 H THR 45 HN THR 45 1.030 1.215 -0.439 146 HA THR 45 HA THR 45 -0.510 -0.924 -1.447 147 HB THR 45 HB THR 45 1.461 0.811 -2.950 148 HG1 THR 45 HG1 THR 45 -0.011 2.317 -2.796 149 HG21 THR 45 HG21 THR 45 -0.888 -0.825 -3.919 150 HG22 THR 45 HG22 THR 45 0.816 -1.186 -4.200 151 HG23 THR 45 HG23 THR 45 0.091 0.255 -4.913 152 H VAL 46 HN VAL 46 2.975 -0.411 -1.160 153 HA VAL 46 HA VAL 46 3.717 -2.770 -2.575 154 HB VAL 46 HB VAL 46 5.338 -1.204 -0.562 155 HG11 VAL 46 HG11 VAL 46 6.175 -3.141 -2.718 156 HG12 VAL 46 HG12 VAL 46 6.268 -3.404 -0.977 157 HG13 VAL 46 HG13 VAL 46 7.275 -2.172 -1.736 158 HG21 VAL 46 HG21 VAL 46 4.557 0.230 -2.367 159 HG22 VAL 46 HG22 VAL 46 5.167 -0.916 -3.559 160 HG23 VAL 46 HG23 VAL 46 6.290 -0.055 -2.508 161 H ILE 47 HN ILE 47 3.043 -2.018 0.783 162 HA ILE 47 HA ILE 47 4.077 -4.420 1.888 163 HB ILE 47 HB ILE 47 1.920 -2.620 3.002 164 HG12 ILE 47 HG12 ILE 47 4.896 -2.622 3.555 165 HG13 ILE 47 HG11 ILE 47 4.082 -1.476 2.494 166 HG21 ILE 47 HG21 ILE 47 3.686 -4.654 4.359 167 HG22 ILE 47 HG22 ILE 47 1.954 -4.809 4.066 168 HG23 ILE 47 HG23 ILE 47 2.555 -3.571 5.170 169 HD11 ILE 47 HD11 ILE 47 2.765 -0.664 4.386 170 HD12 ILE 47 HD12 ILE 47 4.499 -0.503 4.671 171 HD13 ILE 47 HD13 ILE 47 3.593 -1.805 5.444 172 H THR 48 HN THR 48 0.943 -3.492 0.590 173 HA THR 48 HA THR 48 -0.544 -5.698 1.499 174 HB THR 48 HB THR 48 -0.985 -4.149 -1.062 175 HG1 THR 48 HG1 THR 48 -0.932 -3.148 1.295 176 HG21 THR 48 HG21 THR 48 -2.292 -6.216 -0.915 177 HG22 THR 48 HG22 THR 48 -3.330 -4.797 -0.763 178 HG23 THR 48 HG23 THR 48 -2.892 -5.727 0.670 179 H LEU 49 HN LEU 49 1.634 -5.287 -1.196 180 HA LEU 49 HA LEU 49 0.876 -7.581 -2.668 181 HB2 LEU 49 HB2 LEU 49 3.522 -6.130 -2.563 182 HB3 LEU 49 HB1 LEU 49 3.083 -7.333 -3.760 183 HG LEU 49 HG LEU 49 1.641 -4.707 -3.382 184 HD11 LEU 49 HD11 LEU 49 3.701 -5.513 -5.432 185 HD12 LEU 49 HD12 LEU 49 3.912 -4.322 -4.149 186 HD13 LEU 49 HD13 LEU 49 2.762 -4.020 -5.450 187 HD21 LEU 49 HD21 LEU 49 1.476 -6.795 -5.552 188 HD22 LEU 49 HD22 LEU 49 0.635 -5.245 -5.548 189 HD23 LEU 49 HD23 LEU 49 0.246 -6.464 -4.334 190 H VAL 50 HN VAL 50 2.725 -7.130 0.197 191 HA VAL 50 HA VAL 50 4.074 -9.694 0.008 192 HB VAL 50 HB VAL 50 3.965 -7.813 2.369 193 HG11 VAL 50 HG11 VAL 50 4.667 -10.079 2.924 194 HG12 VAL 50 HG12 VAL 50 6.018 -8.953 3.056 195 HG13 VAL 50 HG13 VAL 50 5.893 -10.020 1.657 196 HG21 VAL 50 HG21 VAL 50 4.846 -6.643 0.428 197 HG22 VAL 50 HG22 VAL 50 5.988 -7.954 0.136 198 HG23 VAL 50 HG23 VAL 50 6.132 -6.966 1.591 199 H MET 51 HN MET 51 1.271 -8.289 1.538 200 HA MET 51 HA MET 51 0.773 -10.200 3.515 201 HB2 MET 51 HB2 MET 51 -1.181 -8.552 1.903 202 HB3 MET 51 HB1 MET 51 -1.596 -9.454 3.356 203 HG2 MET 51 HG2 MET 51 0.387 -7.196 3.205 204 HG3 MET 51 HG1 MET 51 -1.266 -7.076 3.803 205 HE1 MET 51 HE1 MET 51 1.260 -6.105 5.464 206 HE2 MET 51 HE2 MET 51 0.881 -6.736 7.068 207 HE3 MET 51 HE3 MET 51 -0.389 -6.010 6.081 208 H LEU 52 HN LEU 52 -0.280 -10.097 0.123 209 HA LEU 52 HA LEU 52 -1.794 -12.484 0.240 210 HB2 LEU 52 HB2 LEU 52 -1.684 -12.418 -2.234 211 HB3 LEU 52 HB1 LEU 52 -2.215 -10.911 -1.516 212 HG LEU 52 HG LEU 52 0.355 -10.299 -1.746 213 HD11 LEU 52 HD11 LEU 52 1.263 -11.215 -3.842 214 HD12 LEU 52 HD12 LEU 52 -0.090 -12.344 -3.916 215 HD13 LEU 52 HD13 LEU 52 1.074 -12.445 -2.595 216 HD21 LEU 52 HD21 LEU 52 -1.498 -9.065 -2.734 217 HD22 LEU 52 HD22 LEU 52 -1.608 -10.252 -4.034 218 HD23 LEU 52 HD23 LEU 52 -0.172 -9.240 -3.884 219 H LYS 53 HN LYS 53 1.565 -11.893 0.123 220 HA LYS 53 HA LYS 53 2.229 -14.483 -1.009 221 HB2 LYS 53 HB2 LYS 53 3.964 -12.289 0.145 222 HB3 LYS 53 HB1 LYS 53 4.583 -13.776 -0.556 223 HG2 LYS 53 HG2 LYS 53 3.620 -13.188 -2.707 224 HG3 LYS 53 HG1 LYS 53 2.944 -11.713 -2.012 225 HD2 LYS 53 HD2 LYS 53 4.892 -10.981 -3.061 226 HD3 LYS 53 HD1 LYS 53 5.372 -11.152 -1.372 227 HE2 LYS 53 HE2 LYS 53 5.807 -13.267 -3.475 228 HE3 LYS 53 HE1 LYS 53 7.014 -12.060 -3.027 229 HZ1 LYS 53 HZ1 LYS 53 5.877 -14.197 -1.311 230 HZ2 LYS 53 HZ2 LYS 53 6.821 -12.929 -0.709 231 HZ3 LYS 53 HZ3 LYS 53 7.483 -14.023 -1.816 232 H LYS 54 HN LYS 54 1.512 -13.186 2.041 233 HA LYS 54 HA LYS 54 3.140 -14.780 3.705 234 HB2 LYS 54 HB2 LYS 54 0.400 -13.629 4.267 235 HB3 LYS 54 HB1 LYS 54 1.521 -14.237 5.476 236 HG2 LYS 54 HG2 LYS 54 2.083 -11.914 3.650 237 HG3 LYS 54 HG1 LYS 54 1.485 -11.773 5.304 238 HD2 LYS 54 HD2 LYS 54 4.064 -13.135 4.533 239 HD3 LYS 54 HD1 LYS 54 3.948 -11.462 5.088 240 HE2 LYS 54 HE2 LYS 54 3.159 -13.927 6.636 241 HE3 LYS 54 HE1 LYS 54 4.576 -12.919 6.925 242 HZ1 LYS 54 HZ1 LYS 54 2.806 -12.389 8.469 243 HZ2 LYS 54 HZ2 LYS 54 1.747 -12.054 7.194 244 HZ3 LYS 54 HZ3 LYS 54 3.101 -11.072 7.450 245 H LYS 55 HN LYS 55 0.862 -15.729 1.541 246 HA LYS 55 HA LYS 55 -0.721 -17.617 2.781 247 HB2 LYS 55 HB2 LYS 55 -0.987 -18.638 0.619 248 HB3 LYS 55 HB1 LYS 55 -0.895 -16.895 0.407 249 HG2 LYS 55 HG2 LYS 55 1.467 -17.119 -0.243 250 HG3 LYS 55 HG1 LYS 55 1.318 -18.871 -0.100 251 HD2 LYS 55 HD2 LYS 55 -0.430 -18.854 -1.822 252 HD3 LYS 55 HD1 LYS 55 -0.258 -17.102 -1.970 253 HE2 LYS 55 HE2 LYS 55 1.844 -19.179 -2.569 254 HE3 LYS 55 HE1 LYS 55 0.966 -18.201 -3.745 255 HZ1 LYS 55 HZ1 LYS 55 3.187 -17.331 -3.309 256 HZ2 LYS 55 HZ2 LYS 55 2.812 -17.145 -1.670 257 HZ3 LYS 55 HZ3 LYS 55 1.997 -16.226 -2.834 Start of MODEL 3 1 H1 SER 26 HT1 SER 26 -6.196 28.850 5.611 2 H2 SER 26 HT2 SER 26 -7.029 30.083 6.416 3 H3 SER 26 HT3 SER 26 -7.282 29.831 4.763 4 HA SER 26 HA SER 26 -7.958 27.910 6.911 5 HB2 SER 26 HB2 SER 26 -9.423 29.867 6.981 6 HB3 SER 26 HB1 SER 26 -9.741 29.714 5.253 7 HG SER 26 HG SER 26 -10.248 27.387 6.518 8 H ASN 27 HN ASN 27 -7.324 28.517 3.611 9 HA ASN 27 HA ASN 27 -8.271 25.813 2.933 10 HB2 ASN 27 HB2 ASN 27 -8.405 28.269 1.171 11 HB3 ASN 27 HB1 ASN 27 -8.808 26.633 0.660 12 HD21 ASN 27 HD21 ASN 27 -9.784 29.374 2.542 13 HD22 ASN 27 HD22 ASN 27 -11.404 28.854 2.837 14 H LYS 28 HN LYS 28 -5.620 27.126 3.691 15 HA LYS 28 HA LYS 28 -4.086 26.322 1.310 16 HB2 LYS 28 HB2 LYS 28 -3.317 28.166 3.578 17 HB3 LYS 28 HB1 LYS 28 -2.240 27.684 2.274 18 HG2 LYS 28 HG2 LYS 28 -3.659 28.772 0.648 19 HG3 LYS 28 HG1 LYS 28 -4.828 29.178 1.904 20 HD2 LYS 28 HD2 LYS 28 -3.488 31.119 1.426 21 HD3 LYS 28 HD1 LYS 28 -3.075 30.523 3.034 22 HE2 LYS 28 HE2 LYS 28 -1.111 29.385 2.083 23 HE3 LYS 28 HE1 LYS 28 -1.518 30.034 0.495 24 HZ1 LYS 28 HZ1 LYS 28 0.191 31.343 1.623 25 HZ2 LYS 28 HZ2 LYS 28 -0.881 31.669 2.892 26 HZ3 LYS 28 HZ3 LYS 28 -1.204 32.257 1.341 27 H GLY 29 HN GLY 29 -4.413 25.951 4.789 28 HA2 GLY 29 HA2 GLY 29 -2.160 24.157 4.999 29 HA3 GLY 29 HA1 GLY 29 -3.292 24.568 6.279 30 H ALA 30 HN ALA 30 -5.537 23.857 4.348 31 HA ALA 30 HA ALA 30 -5.904 21.197 5.256 32 HB1 ALA 30 HB1 ALA 30 -7.949 21.223 3.948 33 HB2 ALA 30 HB2 ALA 30 -7.419 22.686 3.119 34 HB3 ALA 30 HB3 ALA 30 -7.769 22.730 4.846 35 H ILE 31 HN ILE 31 -5.128 22.551 2.060 36 HA ILE 31 HA ILE 31 -5.134 20.117 0.655 37 HB ILE 31 HB ILE 31 -5.165 22.316 -0.458 38 HG12 ILE 31 HG12 ILE 31 -3.499 21.770 -2.254 39 HG13 ILE 31 HG11 ILE 31 -2.869 20.497 -1.216 40 HG21 ILE 31 HG21 ILE 31 -3.597 23.501 0.959 41 HG22 ILE 31 HG22 ILE 31 -3.074 23.581 -0.721 42 HG23 ILE 31 HG23 ILE 31 -2.278 22.475 0.398 43 HD11 ILE 31 HD11 ILE 31 -5.040 19.382 -1.267 44 HD12 ILE 31 HD12 ILE 31 -4.380 19.605 -2.888 45 HD13 ILE 31 HD13 ILE 31 -5.668 20.661 -2.308 46 H ILE 32 HN ILE 32 -2.814 21.527 2.796 47 HA ILE 32 HA ILE 32 -0.454 20.304 1.953 48 HB ILE 32 HB ILE 32 -1.259 20.849 4.814 49 HG12 ILE 32 HG12 ILE 32 -1.540 22.853 3.440 50 HG13 ILE 32 HG11 ILE 32 -0.156 23.031 4.515 51 HG21 ILE 32 HG21 ILE 32 0.713 19.445 4.632 52 HG22 ILE 32 HG22 ILE 32 1.152 21.052 5.207 53 HG23 ILE 32 HG23 ILE 32 1.457 20.601 3.529 54 HD11 ILE 32 HD11 ILE 32 1.347 22.527 2.662 55 HD12 ILE 32 HD12 ILE 32 0.319 23.915 2.307 56 HD13 ILE 32 HD13 ILE 32 -0.040 22.345 1.586 57 H GLY 33 HN GLY 33 -3.172 19.023 3.745 58 HA2 GLY 33 HA2 GLY 33 -1.879 16.672 4.700 59 HA3 GLY 33 HA1 GLY 33 -3.614 16.930 4.594 60 H LEU 34 HN LEU 34 -3.483 17.488 1.698 61 HA LEU 34 HA LEU 34 -3.809 14.807 0.787 62 HB2 LEU 34 HB2 LEU 34 -3.819 17.469 -0.625 63 HB3 LEU 34 HB1 LEU 34 -4.036 15.955 -1.482 64 HG LEU 34 HG LEU 34 -6.184 16.984 -1.080 65 HD11 LEU 34 HD11 LEU 34 -5.791 14.604 0.728 66 HD12 LEU 34 HD12 LEU 34 -6.060 14.542 -1.015 67 HD13 LEU 34 HD13 LEU 34 -7.322 15.159 0.052 68 HD21 LEU 34 HD21 LEU 34 -5.492 16.860 1.853 69 HD22 LEU 34 HD22 LEU 34 -7.037 17.367 1.169 70 HD23 LEU 34 HD23 LEU 34 -5.588 18.324 0.874 71 H MET 35 HN MET 35 -1.151 16.949 0.967 72 HA MET 35 HA MET 35 0.372 15.920 -1.208 73 HB2 MET 35 HB2 MET 35 0.769 18.139 -0.184 74 HB3 MET 35 HB1 MET 35 1.326 17.345 1.283 75 HG2 MET 35 HG2 MET 35 3.194 18.095 -0.064 76 HG3 MET 35 HG1 MET 35 3.167 16.337 0.053 77 HE1 MET 35 HE1 MET 35 4.896 16.217 -1.988 78 HE2 MET 35 HE2 MET 35 4.887 17.980 -2.092 79 HE3 MET 35 HE3 MET 35 4.618 17.011 -3.539 80 H VAL 36 HN VAL 36 0.402 15.320 2.296 81 HA VAL 36 HA VAL 36 2.387 13.242 2.049 82 HB VAL 36 HB VAL 36 2.055 12.906 4.461 83 HG11 VAL 36 HG11 VAL 36 3.603 14.626 3.691 84 HG12 VAL 36 HG12 VAL 36 2.828 15.106 5.202 85 HG13 VAL 36 HG13 VAL 36 2.295 15.810 3.674 86 HG21 VAL 36 HG21 VAL 36 -0.093 15.007 4.177 87 HG22 VAL 36 HG22 VAL 36 0.522 14.375 5.703 88 HG23 VAL 36 HG23 VAL 36 -0.338 13.311 4.592 89 H GLY 37 HN GLY 37 -1.034 13.464 1.909 90 HA2 GLY 37 HA2 GLY 37 -1.637 10.797 2.744 91 HA3 GLY 37 HA1 GLY 37 -2.710 11.882 1.870 92 H GLY 38 HN GLY 38 -0.287 12.073 -0.109 93 HA2 GLY 38 HA2 GLY 38 -1.271 9.898 -1.787 94 HA3 GLY 38 HA1 GLY 38 -0.275 11.247 -2.311 95 H VAL 39 HN VAL 39 1.585 10.770 -0.004 96 HA VAL 39 HA VAL 39 3.242 8.820 -1.369 97 HB VAL 39 HB VAL 39 5.016 9.498 0.159 98 HG11 VAL 39 HG11 VAL 39 4.644 10.836 -1.839 99 HG12 VAL 39 HG12 VAL 39 5.195 11.851 -0.505 100 HG13 VAL 39 HG13 VAL 39 3.493 11.846 -0.967 101 HG21 VAL 39 HG21 VAL 39 3.658 9.818 2.171 102 HG22 VAL 39 HG22 VAL 39 2.936 11.260 1.455 103 HG23 VAL 39 HG23 VAL 39 4.656 11.233 1.837 104 H VAL 40 HN VAL 40 1.259 8.994 1.466 105 HA VAL 40 HA VAL 40 2.466 6.783 2.829 106 HB VAL 40 HB VAL 40 0.416 6.838 4.251 107 HG11 VAL 40 HG11 VAL 40 0.897 9.022 5.264 108 HG12 VAL 40 HG12 VAL 40 1.811 9.478 3.826 109 HG13 VAL 40 HG13 VAL 40 2.372 8.153 4.843 110 HG21 VAL 40 HG21 VAL 40 -1.187 7.588 2.589 111 HG22 VAL 40 HG22 VAL 40 -0.350 9.134 2.451 112 HG23 VAL 40 HG23 VAL 40 -1.159 8.700 3.958 113 H ILE 41 HN ILE 41 -0.336 7.204 0.712 114 HA ILE 41 HA ILE 41 -1.338 4.570 0.983 115 HB ILE 41 HB ILE 41 -1.681 6.497 -1.321 116 HG12 ILE 41 HG12 ILE 41 -3.487 5.964 1.048 117 HG13 ILE 41 HG11 ILE 41 -2.423 7.357 0.898 118 HG21 ILE 41 HG21 ILE 41 -3.682 5.190 -1.855 119 HG22 ILE 41 HG22 ILE 41 -3.284 4.058 -0.563 120 HG23 ILE 41 HG23 ILE 41 -2.219 4.210 -1.961 121 HD11 ILE 41 HD11 ILE 41 -4.724 6.693 -0.924 122 HD12 ILE 41 HD12 ILE 41 -3.659 8.092 -1.072 123 HD13 ILE 41 HD13 ILE 41 -4.712 7.928 0.333 124 H ALA 42 HN ALA 42 1.170 5.986 -0.972 125 HA ALA 42 HA ALA 42 1.361 3.780 -2.806 126 HB1 ALA 42 HB1 ALA 42 3.345 4.914 -3.649 127 HB2 ALA 42 HB2 ALA 42 3.303 6.029 -2.283 128 HB3 ALA 42 HB3 ALA 42 2.004 6.045 -3.474 129 H THR 43 HN THR 43 2.637 4.556 0.303 130 HA THR 43 HA THR 43 4.882 2.758 0.156 131 HB THR 43 HB THR 43 3.637 4.042 2.596 132 HG1 THR 43 HG1 THR 43 4.609 5.799 1.948 133 HG21 THR 43 HG21 THR 43 5.063 2.128 3.133 134 HG22 THR 43 HG22 THR 43 5.826 3.637 3.629 135 HG23 THR 43 HG23 THR 43 6.365 2.817 2.165 136 H VAL 44 HN VAL 44 1.655 2.712 1.625 137 HA VAL 44 HA VAL 44 1.948 0.203 2.906 138 HB VAL 44 HB VAL 44 0.205 1.851 3.521 139 HG11 VAL 44 HG11 VAL 44 -1.114 0.995 0.948 140 HG12 VAL 44 HG12 VAL 44 -0.421 2.582 1.283 141 HG13 VAL 44 HG13 VAL 44 -1.831 2.028 2.183 142 HG21 VAL 44 HG21 VAL 44 -0.831 -0.864 2.712 143 HG22 VAL 44 HG22 VAL 44 -1.614 0.227 3.853 144 HG23 VAL 44 HG23 VAL 44 -0.032 -0.457 4.231 145 H THR 45 HN THR 45 1.311 1.114 -0.354 146 HA THR 45 HA THR 45 -0.106 -1.094 -1.304 147 HB THR 45 HB THR 45 1.985 0.517 -2.780 148 HG1 THR 45 HG1 THR 45 0.152 1.730 -3.462 149 HG21 THR 45 HG21 THR 45 1.443 -1.565 -3.934 150 HG22 THR 45 HG22 THR 45 0.772 -0.182 -4.799 151 HG23 THR 45 HG23 THR 45 -0.277 -1.199 -3.811 152 H VAL 46 HN VAL 46 3.421 -0.568 -1.246 153 HA VAL 46 HA VAL 46 4.203 -2.991 -2.353 154 HB VAL 46 HB VAL 46 5.690 -1.511 -0.181 155 HG11 VAL 46 HG11 VAL 46 7.683 -2.454 -1.250 156 HG12 VAL 46 HG12 VAL 46 6.656 -3.320 -2.393 157 HG13 VAL 46 HG13 VAL 46 6.595 -3.717 -0.674 158 HG21 VAL 46 HG21 VAL 46 5.721 -1.058 -3.164 159 HG22 VAL 46 HG22 VAL 46 6.786 -0.278 -1.996 160 HG23 VAL 46 HG23 VAL 46 5.051 0.034 -1.953 161 H ILE 47 HN ILE 47 3.202 -2.233 0.916 162 HA ILE 47 HA ILE 47 4.046 -4.753 2.017 163 HB ILE 47 HB ILE 47 2.147 -2.713 3.184 164 HG12 ILE 47 HG12 ILE 47 4.337 -1.722 2.709 165 HG13 ILE 47 HG11 ILE 47 4.099 -1.899 4.443 166 HG21 ILE 47 HG21 ILE 47 1.916 -4.860 4.257 167 HG22 ILE 47 HG22 ILE 47 2.762 -3.754 5.339 168 HG23 ILE 47 HG23 ILE 47 3.664 -4.987 4.458 169 HD11 ILE 47 HD11 ILE 47 5.736 -3.723 2.699 170 HD12 ILE 47 HD12 ILE 47 5.505 -3.887 4.440 171 HD13 ILE 47 HD13 ILE 47 6.361 -2.490 3.790 172 H THR 48 HN THR 48 1.234 -3.540 0.420 173 HA THR 48 HA THR 48 -0.611 -5.485 1.416 174 HB THR 48 HB THR 48 -0.812 -3.822 -1.102 175 HG1 THR 48 HG1 THR 48 -0.950 -2.259 0.331 176 HG21 THR 48 HG21 THR 48 -3.229 -4.168 -0.848 177 HG22 THR 48 HG22 THR 48 -2.933 -5.209 0.545 178 HG23 THR 48 HG23 THR 48 -2.380 -5.700 -1.056 179 H LEU 49 HN LEU 49 1.531 -5.286 -1.367 180 HA LEU 49 HA LEU 49 0.429 -7.501 -2.763 181 HB2 LEU 49 HB2 LEU 49 2.972 -5.941 -2.960 182 HB3 LEU 49 HB1 LEU 49 2.816 -7.446 -3.844 183 HG LEU 49 HG LEU 49 2.293 -5.559 -5.278 184 HD11 LEU 49 HD11 LEU 49 0.105 -6.265 -6.078 185 HD12 LEU 49 HD12 LEU 49 -0.177 -7.133 -4.569 186 HD13 LEU 49 HD13 LEU 49 1.106 -7.654 -5.660 187 HD21 LEU 49 HD21 LEU 49 0.319 -4.157 -4.842 188 HD22 LEU 49 HD22 LEU 49 1.567 -3.958 -3.614 189 HD23 LEU 49 HD23 LEU 49 0.137 -4.930 -3.267 190 H VAL 50 HN VAL 50 2.836 -7.191 -0.246 191 HA VAL 50 HA VAL 50 3.744 -9.928 -0.570 192 HB VAL 50 HB VAL 50 5.307 -8.117 0.110 193 HG11 VAL 50 HG11 VAL 50 3.755 -8.185 2.696 194 HG12 VAL 50 HG12 VAL 50 3.832 -6.843 1.555 195 HG13 VAL 50 HG13 VAL 50 5.278 -7.334 2.436 196 HG21 VAL 50 HG21 VAL 50 6.452 -9.412 1.850 197 HG22 VAL 50 HG22 VAL 50 5.858 -10.443 0.550 198 HG23 VAL 50 HG23 VAL 50 4.994 -10.374 2.086 199 H MET 51 HN MET 51 1.346 -8.231 1.199 200 HA MET 51 HA MET 51 1.126 -10.091 3.370 201 HB2 MET 51 HB2 MET 51 0.422 -7.737 3.579 202 HB3 MET 51 HB1 MET 51 -0.844 -8.017 2.389 203 HG2 MET 51 HG2 MET 51 -1.970 -9.541 3.861 204 HG3 MET 51 HG1 MET 51 -0.646 -9.454 5.024 205 HE1 MET 51 HE1 MET 51 -3.517 -7.617 6.930 206 HE2 MET 51 HE2 MET 51 -2.362 -8.951 6.946 207 HE3 MET 51 HE3 MET 51 -3.724 -8.979 5.828 208 H LEU 52 HN LEU 52 -0.686 -9.528 0.367 209 HA LEU 52 HA LEU 52 -2.608 -11.556 0.822 210 HB2 LEU 52 HB2 LEU 52 -2.992 -11.365 -1.667 211 HB3 LEU 52 HB1 LEU 52 -3.191 -9.893 -0.734 212 HG LEU 52 HG LEU 52 -0.727 -9.414 -1.437 213 HD11 LEU 52 HD11 LEU 52 -0.229 -11.567 -2.409 214 HD12 LEU 52 HD12 LEU 52 -0.189 -10.328 -3.662 215 HD13 LEU 52 HD13 LEU 52 -1.579 -11.405 -3.533 216 HD21 LEU 52 HD21 LEU 52 -3.006 -9.250 -3.407 217 HD22 LEU 52 HD22 LEU 52 -1.526 -8.290 -3.451 218 HD23 LEU 52 HD23 LEU 52 -2.664 -8.096 -2.118 219 H LYS 53 HN LYS 53 0.661 -11.677 -0.138 220 HA LYS 53 HA LYS 53 0.528 -14.135 -1.607 221 HB2 LYS 53 HB2 LYS 53 2.803 -12.541 -0.440 222 HB3 LYS 53 HB1 LYS 53 3.058 -14.092 -1.231 223 HG2 LYS 53 HG2 LYS 53 2.113 -13.218 -3.292 224 HG3 LYS 53 HG1 LYS 53 1.798 -11.671 -2.506 225 HD2 LYS 53 HD2 LYS 53 4.180 -11.338 -2.158 226 HD3 LYS 53 HD1 LYS 53 4.523 -12.919 -2.863 227 HE2 LYS 53 HE2 LYS 53 3.248 -10.585 -4.289 228 HE3 LYS 53 HE1 LYS 53 4.921 -11.109 -4.463 229 HZ1 LYS 53 HZ1 LYS 53 2.524 -12.716 -5.168 230 HZ2 LYS 53 HZ2 LYS 53 4.129 -13.222 -5.331 231 HZ3 LYS 53 HZ3 LYS 53 3.550 -11.936 -6.267 232 H LYS 54 HN LYS 54 0.433 -13.341 1.680 233 HA LYS 54 HA LYS 54 1.823 -15.260 3.027 234 HB2 LYS 54 HB2 LYS 54 0.446 -13.486 4.076 235 HB3 LYS 54 HB1 LYS 54 -1.002 -14.396 3.665 236 HG2 LYS 54 HG2 LYS 54 -0.340 -16.197 5.115 237 HG3 LYS 54 HG1 LYS 54 1.204 -15.408 5.447 238 HD2 LYS 54 HD2 LYS 54 -0.029 -13.508 6.443 239 HD3 LYS 54 HD1 LYS 54 -1.539 -14.384 6.183 240 HE2 LYS 54 HE2 LYS 54 -0.751 -16.183 7.634 241 HE3 LYS 54 HE1 LYS 54 0.773 -15.327 7.877 242 HZ1 LYS 54 HZ1 LYS 54 -0.766 -14.991 9.720 243 HZ2 LYS 54 HZ2 LYS 54 -1.908 -14.318 8.667 244 HZ3 LYS 54 HZ3 LYS 54 -0.433 -13.531 8.931 245 H LYS 55 HN LYS 55 -1.127 -15.706 1.177 246 HA LYS 55 HA LYS 55 -1.846 -18.246 2.128 247 HB2 LYS 55 HB2 LYS 55 -2.328 -16.833 -0.484 248 HB3 LYS 55 HB1 LYS 55 -2.907 -18.469 -0.212 249 HG2 LYS 55 HG2 LYS 55 -4.722 -17.077 0.282 250 HG3 LYS 55 HG1 LYS 55 -4.073 -17.561 1.849 251 HD2 LYS 55 HD2 LYS 55 -2.884 -15.435 2.021 252 HD3 LYS 55 HD1 LYS 55 -3.509 -14.951 0.442 253 HE2 LYS 55 HE2 LYS 55 -5.806 -15.132 1.338 254 HE3 LYS 55 HE1 LYS 55 -5.131 -15.512 2.923 255 HZ1 LYS 55 HZ1 LYS 55 -4.046 -13.352 2.937 256 HZ2 LYS 55 HZ2 LYS 55 -5.718 -13.177 2.747 257 HZ3 LYS 55 HZ3 LYS 55 -4.692 -12.989 1.416 Start of MODEL 4 1 H1 SER 26 HT1 SER 26 -0.743 26.811 15.188 2 H2 SER 26 HT2 SER 26 0.105 25.423 14.729 3 H3 SER 26 HT3 SER 26 -0.741 25.449 16.193 4 HA SER 26 HA SER 26 -1.922 24.179 14.517 5 HB2 SER 26 HB2 SER 26 -4.096 25.324 14.748 6 HB3 SER 26 HB1 SER 26 -3.198 25.336 16.267 7 HG SER 26 HG SER 26 -3.790 27.394 16.080 8 H ASN 27 HN ASN 27 -0.402 26.889 13.364 9 HA ASN 27 HA ASN 27 -1.937 26.904 10.856 10 HB2 ASN 27 HB2 ASN 27 -1.652 29.090 11.984 11 HB3 ASN 27 HB1 ASN 27 0.095 28.915 11.849 12 HD21 ASN 27 HD21 ASN 27 -2.156 27.889 9.381 13 HD22 ASN 27 HD22 ASN 27 -1.715 29.082 8.210 14 H LYS 28 HN LYS 28 -0.971 26.502 8.907 15 HA LYS 28 HA LYS 28 0.526 25.723 7.390 16 HB2 LYS 28 HB2 LYS 28 2.584 26.491 9.463 17 HB3 LYS 28 HB1 LYS 28 2.952 25.989 7.821 18 HG2 LYS 28 HG2 LYS 28 1.746 27.916 6.947 19 HG3 LYS 28 HG1 LYS 28 1.346 28.417 8.592 20 HD2 LYS 28 HD2 LYS 28 3.713 28.696 9.099 21 HD3 LYS 28 HD1 LYS 28 4.138 28.147 7.476 22 HE2 LYS 28 HE2 LYS 28 2.948 30.058 6.521 23 HE3 LYS 28 HE1 LYS 28 2.520 30.605 8.141 24 HZ1 LYS 28 HZ1 LYS 28 4.849 30.919 8.633 25 HZ2 LYS 28 HZ2 LYS 28 4.444 31.786 7.239 26 HZ3 LYS 28 HZ3 LYS 28 5.293 30.329 7.112 27 H GLY 29 HN GLY 29 0.306 24.433 10.535 28 HA2 GLY 29 HA2 GLY 29 1.930 22.100 10.023 29 HA3 GLY 29 HA1 GLY 29 0.934 22.387 11.440 30 H ALA 30 HN ALA 30 -1.353 23.019 9.536 31 HA ALA 30 HA ALA 30 -2.579 20.486 9.625 32 HB1 ALA 30 HB1 ALA 30 -4.414 21.523 8.423 33 HB2 ALA 30 HB2 ALA 30 -3.389 22.896 8.008 34 HB3 ALA 30 HB3 ALA 30 -3.824 22.596 9.691 35 H ILE 31 HN ILE 31 -0.978 22.233 6.992 36 HA ILE 31 HA ILE 31 -1.753 20.422 4.951 37 HB ILE 31 HB ILE 31 -1.017 22.684 4.409 38 HG12 ILE 31 HG12 ILE 31 0.950 20.718 3.228 39 HG13 ILE 31 HG11 ILE 31 -0.759 20.727 2.802 40 HG21 ILE 31 HG21 ILE 31 0.677 22.993 6.101 41 HG22 ILE 31 HG22 ILE 31 1.377 23.268 4.506 42 HG23 ILE 31 HG23 ILE 31 1.689 21.756 5.358 43 HD11 ILE 31 HD11 ILE 31 0.569 21.912 1.155 44 HD12 ILE 31 HD12 ILE 31 1.172 23.001 2.406 45 HD13 ILE 31 HD13 ILE 31 -0.539 23.013 1.976 46 H ILE 32 HN ILE 32 0.842 20.434 7.278 47 HA ILE 32 HA ILE 32 2.644 18.691 6.061 48 HB ILE 32 HB ILE 32 1.980 18.867 9.007 49 HG12 ILE 32 HG12 ILE 32 4.116 20.292 7.402 50 HG13 ILE 32 HG11 ILE 32 2.624 21.031 7.971 51 HG21 ILE 32 HG21 ILE 32 4.434 17.801 7.612 52 HG22 ILE 32 HG22 ILE 32 3.221 16.843 8.461 53 HG23 ILE 32 HG23 ILE 32 4.235 17.976 9.355 54 HD11 ILE 32 HD11 ILE 32 4.817 19.912 9.702 55 HD12 ILE 32 HD12 ILE 32 3.318 20.641 10.280 56 HD13 ILE 32 HD13 ILE 32 4.491 21.618 9.399 57 H GLY 33 HN GLY 33 -0.407 18.072 7.647 58 HA2 GLY 33 HA2 GLY 33 -0.097 15.267 7.963 59 HA3 GLY 33 HA1 GLY 33 -1.621 16.143 7.962 60 H LEU 34 HN LEU 34 -1.057 17.278 5.278 61 HA LEU 34 HA LEU 34 -2.129 15.071 3.754 62 HB2 LEU 34 HB2 LEU 34 -1.572 17.958 3.092 63 HB3 LEU 34 HB1 LEU 34 -2.142 16.815 1.894 64 HG LEU 34 HG LEU 34 -4.004 18.107 2.697 65 HD11 LEU 34 HD11 LEU 34 -5.478 16.338 3.507 66 HD12 LEU 34 HD12 LEU 34 -4.077 15.326 3.859 67 HD13 LEU 34 HD13 LEU 34 -4.449 15.769 2.193 68 HD21 LEU 34 HD21 LEU 34 -4.684 18.132 5.028 69 HD22 LEU 34 HD22 LEU 34 -3.056 18.783 4.850 70 HD23 LEU 34 HD23 LEU 34 -3.289 17.145 5.463 71 H MET 35 HN MET 35 0.935 16.178 4.481 72 HA MET 35 HA MET 35 2.210 15.670 1.964 73 HB2 MET 35 HB2 MET 35 3.359 15.962 4.746 74 HB3 MET 35 HB1 MET 35 4.313 15.870 3.273 75 HG2 MET 35 HG2 MET 35 3.218 17.917 2.464 76 HG3 MET 35 HG1 MET 35 2.333 18.020 3.984 77 HE1 MET 35 HE1 MET 35 4.090 20.365 2.775 78 HE2 MET 35 HE2 MET 35 4.977 20.937 4.190 79 HE3 MET 35 HE3 MET 35 3.264 20.533 4.325 80 H VAL 36 HN VAL 36 1.921 13.921 5.036 81 HA VAL 36 HA VAL 36 3.378 11.643 4.065 82 HB VAL 36 HB VAL 36 2.676 10.562 6.185 83 HG11 VAL 36 HG11 VAL 36 3.924 12.064 7.675 84 HG12 VAL 36 HG12 VAL 36 3.810 13.342 6.465 85 HG13 VAL 36 HG13 VAL 36 4.718 11.873 6.111 86 HG21 VAL 36 HG21 VAL 36 1.473 11.877 7.864 87 HG22 VAL 36 HG22 VAL 36 0.486 11.616 6.424 88 HG23 VAL 36 HG23 VAL 36 1.258 13.180 6.693 89 H GLY 37 HN GLY 37 0.138 12.720 3.891 90 HA2 GLY 37 HA2 GLY 37 -1.167 10.190 3.764 91 HA3 GLY 37 HA1 GLY 37 -1.820 11.723 3.200 92 H GLY 38 HN GLY 38 0.790 11.893 1.535 93 HA2 GLY 38 HA2 GLY 38 -0.360 10.541 -0.783 94 HA3 GLY 38 HA1 GLY 38 0.933 11.732 -0.807 95 H VAL 39 HN VAL 39 2.425 10.356 1.314 96 HA VAL 39 HA VAL 39 3.784 8.449 -0.393 97 HB VAL 39 HB VAL 39 5.518 8.408 1.322 98 HG11 VAL 39 HG11 VAL 39 6.195 10.760 1.213 99 HG12 VAL 39 HG12 VAL 39 4.566 11.202 0.703 100 HG13 VAL 39 HG13 VAL 39 5.571 10.192 -0.335 101 HG21 VAL 39 HG21 VAL 39 4.167 8.541 3.319 102 HG22 VAL 39 HG22 VAL 39 3.639 10.168 2.894 103 HG23 VAL 39 HG23 VAL 39 5.325 9.870 3.312 104 H VAL 40 HN VAL 40 1.710 8.433 2.404 105 HA VAL 40 HA VAL 40 2.330 5.831 3.335 106 HB VAL 40 HB VAL 40 1.156 7.481 4.730 107 HG11 VAL 40 HG11 VAL 40 -0.268 8.457 2.989 108 HG12 VAL 40 HG12 VAL 40 -1.204 7.954 4.398 109 HG13 VAL 40 HG13 VAL 40 -1.212 6.967 2.936 110 HG21 VAL 40 HG21 VAL 40 -0.504 5.951 5.698 111 HG22 VAL 40 HG22 VAL 40 1.006 5.127 5.308 112 HG23 VAL 40 HG23 VAL 40 -0.398 4.939 4.258 113 H ILE 41 HN ILE 41 0.014 7.060 0.975 114 HA ILE 41 HA ILE 41 -1.390 4.621 0.613 115 HB ILE 41 HB ILE 41 -1.084 6.917 -1.330 116 HG12 ILE 41 HG12 ILE 41 -3.278 6.366 0.681 117 HG13 ILE 41 HG11 ILE 41 -1.999 7.555 0.900 118 HG21 ILE 41 HG21 ILE 41 -3.117 4.693 -1.199 119 HG22 ILE 41 HG22 ILE 41 -1.871 4.903 -2.428 120 HG23 ILE 41 HG23 ILE 41 -3.185 6.072 -2.295 121 HD11 ILE 41 HD11 ILE 41 -2.808 8.792 -1.033 122 HD12 ILE 41 HD12 ILE 41 -4.078 8.590 0.175 123 HD13 ILE 41 HD13 ILE 41 -4.075 7.590 -1.279 124 H ALA 42 HN ALA 42 1.524 5.965 -0.786 125 HA ALA 42 HA ALA 42 1.697 3.932 -2.837 126 HB1 ALA 42 HB1 ALA 42 3.708 6.020 -2.008 127 HB2 ALA 42 HB2 ALA 42 2.498 6.199 -3.278 128 HB3 ALA 42 HB3 ALA 42 3.791 5.013 -3.453 129 H THR 43 HN THR 43 2.872 4.447 0.387 130 HA THR 43 HA THR 43 4.936 2.428 0.201 131 HB THR 43 HB THR 43 3.864 3.893 2.623 132 HG1 THR 43 HG1 THR 43 5.222 5.424 2.080 133 HG21 THR 43 HG21 THR 43 5.938 3.156 3.718 134 HG22 THR 43 HG22 THR 43 6.353 2.212 2.288 135 HG23 THR 43 HG23 THR 43 4.933 1.786 3.244 136 H VAL 44 HN VAL 44 1.611 2.649 1.217 137 HA VAL 44 HA VAL 44 1.599 0.192 2.697 138 HB VAL 44 HB VAL 44 -0.025 2.020 3.129 139 HG11 VAL 44 HG11 VAL 44 -1.949 2.294 1.642 140 HG12 VAL 44 HG12 VAL 44 -1.231 1.159 0.501 141 HG13 VAL 44 HG13 VAL 44 -0.441 2.702 0.827 142 HG21 VAL 44 HG21 VAL 44 -1.238 -0.629 2.351 143 HG22 VAL 44 HG22 VAL 44 -1.986 0.569 3.405 144 HG23 VAL 44 HG23 VAL 44 -0.497 -0.232 3.901 145 H THR 45 HN THR 45 1.273 1.077 -0.621 146 HA THR 45 HA THR 45 -0.211 -1.147 -1.543 147 HB THR 45 HB THR 45 1.789 0.554 -3.046 148 HG1 THR 45 HG1 THR 45 0.057 1.828 -3.535 149 HG21 THR 45 HG21 THR 45 -0.393 -1.276 -4.060 150 HG22 THR 45 HG22 THR 45 1.343 -1.547 -4.206 151 HG23 THR 45 HG23 THR 45 0.586 -0.199 -5.056 152 H VAL 46 HN VAL 46 3.298 -0.505 -1.602 153 HA VAL 46 HA VAL 46 4.062 -2.979 -2.668 154 HB VAL 46 HB VAL 46 5.598 -1.098 -2.615 155 HG11 VAL 46 HG11 VAL 46 5.612 -1.474 0.377 156 HG12 VAL 46 HG12 VAL 46 4.951 -0.098 -0.505 157 HG13 VAL 46 HG13 VAL 46 6.688 -0.405 -0.523 158 HG21 VAL 46 HG21 VAL 46 7.617 -2.252 -1.841 159 HG22 VAL 46 HG22 VAL 46 6.556 -3.330 -2.752 160 HG23 VAL 46 HG23 VAL 46 6.614 -3.428 -0.991 161 H ILE 47 HN ILE 47 3.271 -2.032 0.601 162 HA ILE 47 HA ILE 47 4.371 -4.398 1.815 163 HB ILE 47 HB ILE 47 2.447 -2.360 2.946 164 HG12 ILE 47 HG12 ILE 47 5.435 -2.631 3.343 165 HG13 ILE 47 HG11 ILE 47 4.680 -1.473 2.253 166 HG21 ILE 47 HG21 ILE 47 4.076 -4.490 4.326 167 HG22 ILE 47 HG22 ILE 47 2.323 -4.474 4.142 168 HG23 ILE 47 HG23 ILE 47 3.116 -3.251 5.133 169 HD11 ILE 47 HD11 ILE 47 4.320 -1.579 5.239 170 HD12 ILE 47 HD12 ILE 47 3.567 -0.416 4.147 171 HD13 ILE 47 HD13 ILE 47 5.319 -0.430 4.346 172 H THR 48 HN THR 48 1.183 -3.319 0.753 173 HA THR 48 HA THR 48 -0.273 -5.481 1.872 174 HB THR 48 HB THR 48 -0.994 -3.721 -0.482 175 HG1 THR 48 HG1 THR 48 -1.570 -3.525 2.304 176 HG21 THR 48 HG21 THR 48 -2.721 -5.494 1.251 177 HG22 THR 48 HG22 THR 48 -2.332 -5.757 -0.448 178 HG23 THR 48 HG23 THR 48 -3.312 -4.371 0.025 179 H LEU 49 HN LEU 49 1.520 -5.064 -1.093 180 HA LEU 49 HA LEU 49 0.422 -7.099 -2.649 181 HB2 LEU 49 HB2 LEU 49 2.026 -5.463 -3.509 182 HB3 LEU 49 HB1 LEU 49 3.291 -6.163 -2.519 183 HG LEU 49 HG LEU 49 3.069 -8.283 -3.807 184 HD11 LEU 49 HD11 LEU 49 0.761 -8.004 -4.548 185 HD12 LEU 49 HD12 LEU 49 1.846 -8.262 -5.916 186 HD13 LEU 49 HD13 LEU 49 1.246 -6.643 -5.559 187 HD21 LEU 49 HD21 LEU 49 4.787 -6.648 -4.373 188 HD22 LEU 49 HD22 LEU 49 3.656 -5.815 -5.437 189 HD23 LEU 49 HD23 LEU 49 4.181 -7.455 -5.820 190 H VAL 50 HN VAL 50 2.885 -7.230 -0.125 191 HA VAL 50 HA VAL 50 3.286 -10.081 -0.502 192 HB VAL 50 HB VAL 50 4.396 -8.306 1.675 193 HG11 VAL 50 HG11 VAL 50 6.107 -10.056 1.872 194 HG12 VAL 50 HG12 VAL 50 5.250 -11.015 0.666 195 HG13 VAL 50 HG13 VAL 50 4.490 -10.667 2.218 196 HG21 VAL 50 HG21 VAL 50 6.429 -8.186 0.310 197 HG22 VAL 50 HG22 VAL 50 5.049 -7.452 -0.507 198 HG23 VAL 50 HG23 VAL 50 5.605 -9.058 -0.984 199 H MET 51 HN MET 51 1.463 -7.941 1.533 200 HA MET 51 HA MET 51 0.996 -9.632 3.724 201 HB2 MET 51 HB2 MET 51 0.475 -7.245 3.772 202 HB3 MET 51 HB1 MET 51 -0.772 -7.475 2.552 203 HG2 MET 51 HG2 MET 51 -2.026 -8.884 4.110 204 HG3 MET 51 HG1 MET 51 -0.783 -8.631 5.330 205 HE1 MET 51 HE1 MET 51 -0.317 -6.336 6.532 206 HE2 MET 51 HE2 MET 51 -1.114 -4.823 6.099 207 HE3 MET 51 HE3 MET 51 -0.012 -5.595 4.960 208 H LEU 52 HN LEU 52 -0.924 -9.120 0.769 209 HA LEU 52 HA LEU 52 -2.905 -11.036 1.427 210 HB2 LEU 52 HB2 LEU 52 -3.518 -10.871 -0.984 211 HB3 LEU 52 HB1 LEU 52 -3.452 -9.334 -0.144 212 HG LEU 52 HG LEU 52 -1.009 -9.257 -1.133 213 HD11 LEU 52 HD11 LEU 52 -0.907 -10.270 -3.362 214 HD12 LEU 52 HD12 LEU 52 -2.446 -11.078 -3.058 215 HD13 LEU 52 HD13 LEU 52 -1.028 -11.485 -2.090 216 HD21 LEU 52 HD21 LEU 52 -2.765 -7.638 -1.594 217 HD22 LEU 52 HD22 LEU 52 -3.487 -8.735 -2.771 218 HD23 LEU 52 HD23 LEU 52 -1.890 -8.047 -3.069 219 H LYS 53 HN LYS 53 0.270 -11.298 0.163 220 HA LYS 53 HA LYS 53 -0.153 -13.908 -1.023 221 HB2 LYS 53 HB2 LYS 53 1.452 -12.319 -2.017 222 HB3 LYS 53 HB1 LYS 53 2.410 -12.376 -0.543 223 HG2 LYS 53 HG2 LYS 53 3.407 -13.769 -2.240 224 HG3 LYS 53 HG1 LYS 53 2.808 -14.772 -0.917 225 HD2 LYS 53 HD2 LYS 53 0.815 -15.313 -2.218 226 HD3 LYS 53 HD1 LYS 53 1.380 -14.280 -3.532 227 HE2 LYS 53 HE2 LYS 53 3.325 -15.709 -3.842 228 HE3 LYS 53 HE1 LYS 53 2.816 -16.721 -2.490 229 HZ1 LYS 53 HZ1 LYS 53 1.281 -16.325 -5.004 230 HZ2 LYS 53 HZ2 LYS 53 0.841 -17.333 -3.718 231 HZ3 LYS 53 HZ3 LYS 53 2.219 -17.685 -4.634 232 H LYS 54 HN LYS 54 0.562 -12.633 2.045 233 HA LYS 54 HA LYS 54 2.200 -14.636 3.134 234 HB2 LYS 54 HB2 LYS 54 1.704 -12.427 4.192 235 HB3 LYS 54 HB1 LYS 54 0.096 -13.018 4.581 236 HG2 LYS 54 HG2 LYS 54 1.086 -14.783 5.961 237 HG3 LYS 54 HG1 LYS 54 2.694 -14.162 5.585 238 HD2 LYS 54 HD2 LYS 54 2.046 -11.996 6.599 239 HD3 LYS 54 HD1 LYS 54 0.497 -12.709 7.054 240 HE2 LYS 54 HE2 LYS 54 1.679 -14.390 8.398 241 HE3 LYS 54 HE1 LYS 54 3.216 -13.648 7.961 242 HZ1 LYS 54 HZ1 LYS 54 2.496 -12.906 10.128 243 HZ2 LYS 54 HZ2 LYS 54 1.030 -12.350 9.494 244 HZ3 LYS 54 HZ3 LYS 54 2.482 -11.604 9.047 245 H LYS 55 HN LYS 55 -1.150 -14.609 2.328 246 HA LYS 55 HA LYS 55 -2.090 -16.614 4.068 247 HB2 LYS 55 HB2 LYS 55 -3.020 -15.615 1.389 248 HB3 LYS 55 HB1 LYS 55 -3.828 -16.953 2.190 249 HG2 LYS 55 HG2 LYS 55 -5.027 -14.955 2.679 250 HG3 LYS 55 HG1 LYS 55 -4.205 -15.473 4.151 251 HD2 LYS 55 HD2 LYS 55 -2.443 -13.831 3.753 252 HD3 LYS 55 HD1 LYS 55 -3.238 -13.330 2.260 253 HE2 LYS 55 HE2 LYS 55 -5.175 -12.577 3.511 254 HE3 LYS 55 HE1 LYS 55 -4.455 -13.153 5.014 255 HZ1 LYS 55 HZ1 LYS 55 -3.330 -11.014 3.289 256 HZ2 LYS 55 HZ2 LYS 55 -2.686 -11.545 4.760 257 HZ3 LYS 55 HZ3 LYS 55 -4.184 -10.761 4.727 Start of MODEL 5 1 H1 SER 26 HT1 SER 26 2.049 30.854 -4.525 2 H2 SER 26 HT2 SER 26 3.281 31.472 -3.545 3 H3 SER 26 HT3 SER 26 2.341 32.520 -4.483 4 HA SER 26 HA SER 26 1.694 32.602 -2.162 5 HB2 SER 26 HB2 SER 26 -0.362 31.316 -3.978 6 HB3 SER 26 HB1 SER 26 -0.719 32.222 -2.506 7 HG SER 26 HG SER 26 0.048 33.126 -5.010 8 H ASN 27 HN ASN 27 0.400 29.540 -3.450 9 HA ASN 27 HA ASN 27 0.316 28.376 -0.833 10 HB2 ASN 27 HB2 ASN 27 -0.123 27.130 -3.555 11 HB3 ASN 27 HB1 ASN 27 -0.479 26.354 -2.015 12 HD21 ASN 27 HD21 ASN 27 -2.241 27.026 -0.821 13 HD22 ASN 27 HD22 ASN 27 -3.480 28.035 -1.481 14 H LYS 28 HN LYS 28 2.122 27.764 0.159 15 HA LYS 28 HA LYS 28 4.130 26.278 -1.403 16 HB2 LYS 28 HB2 LYS 28 4.662 28.088 0.958 17 HB3 LYS 28 HB1 LYS 28 5.869 27.208 0.031 18 HG2 LYS 28 HG2 LYS 28 4.091 29.376 -1.069 19 HG3 LYS 28 HG1 LYS 28 5.762 29.595 -0.546 20 HD2 LYS 28 HD2 LYS 28 6.510 28.004 -2.241 21 HD3 LYS 28 HD1 LYS 28 4.839 27.752 -2.751 22 HE2 LYS 28 HE2 LYS 28 4.678 30.106 -3.385 23 HE3 LYS 28 HE1 LYS 28 6.342 30.364 -2.866 24 HZ1 LYS 28 HZ1 LYS 28 7.065 28.785 -4.558 25 HZ2 LYS 28 HZ2 LYS 28 6.215 30.072 -5.252 26 HZ3 LYS 28 HZ3 LYS 28 5.463 28.569 -5.063 27 H GLY 29 HN GLY 29 3.104 26.871 1.966 28 HA2 GLY 29 HA2 GLY 29 4.033 24.264 2.788 29 HA3 GLY 29 HA1 GLY 29 3.236 25.455 3.801 30 H ALA 30 HN ALA 30 1.053 25.613 1.691 31 HA ALA 30 HA ALA 30 -0.763 23.865 2.928 32 HB1 ALA 30 HB1 ALA 30 -1.004 25.240 0.255 33 HB2 ALA 30 HB2 ALA 30 -1.448 25.928 1.817 34 HB3 ALA 30 HB3 ALA 30 -2.328 24.538 1.183 35 H ILE 31 HN ILE 31 0.885 23.647 -0.220 36 HA ILE 31 HA ILE 31 -0.333 21.239 -1.034 37 HB ILE 31 HB ILE 31 0.827 22.733 -2.600 38 HG12 ILE 31 HG12 ILE 31 2.134 20.927 -3.814 39 HG13 ILE 31 HG11 ILE 31 1.830 19.890 -2.423 40 HG21 ILE 31 HG21 ILE 31 2.696 23.399 -1.214 41 HG22 ILE 31 HG22 ILE 31 3.281 22.714 -2.729 42 HG23 ILE 31 HG23 ILE 31 3.338 21.755 -1.250 43 HD11 ILE 31 HD11 ILE 31 -0.264 21.138 -4.186 44 HD12 ILE 31 HD12 ILE 31 -0.572 20.106 -2.790 45 HD13 ILE 31 HD13 ILE 31 0.249 19.451 -4.207 46 H ILE 32 HN ILE 32 2.485 21.910 0.944 47 HA ILE 32 HA ILE 32 3.724 19.414 0.890 48 HB ILE 32 HB ILE 32 3.570 21.317 3.233 49 HG12 ILE 32 HG12 ILE 32 5.629 21.117 1.022 50 HG13 ILE 32 HG11 ILE 32 4.393 22.365 1.140 51 HG21 ILE 32 HG21 ILE 32 5.577 19.159 2.595 52 HG22 ILE 32 HG22 ILE 32 4.359 19.097 3.868 53 HG23 ILE 32 HG23 ILE 32 5.661 20.281 3.952 54 HD11 ILE 32 HD11 ILE 32 5.378 23.120 3.254 55 HD12 ILE 32 HD12 ILE 32 6.523 23.198 1.913 56 HD13 ILE 32 HD13 ILE 32 6.633 21.890 3.092 57 H GLY 33 HN GLY 33 0.789 20.424 2.410 58 HA2 GLY 33 HA2 GLY 33 0.620 18.467 4.436 59 HA3 GLY 33 HA1 GLY 33 -0.739 19.322 3.725 60 H LEU 34 HN LEU 34 -0.164 18.383 1.016 61 HA LEU 34 HA LEU 34 -1.463 15.800 1.248 62 HB2 LEU 34 HB2 LEU 34 -0.784 17.528 -1.130 63 HB3 LEU 34 HB1 LEU 34 -1.552 15.958 -1.268 64 HG LEU 34 HG LEU 34 -3.400 16.895 0.222 65 HD11 LEU 34 HD11 LEU 34 -2.264 18.829 1.099 66 HD12 LEU 34 HD12 LEU 34 -3.649 19.350 0.142 67 HD13 LEU 34 HD13 LEU 34 -2.021 19.468 -0.527 68 HD21 LEU 34 HD21 LEU 34 -4.500 18.002 -1.673 69 HD22 LEU 34 HD22 LEU 34 -3.701 16.506 -2.153 70 HD23 LEU 34 HD23 LEU 34 -2.956 18.061 -2.522 71 H MET 35 HN MET 35 1.680 16.956 0.975 72 HA MET 35 HA MET 35 2.886 15.040 -0.691 73 HB2 MET 35 HB2 MET 35 4.016 17.102 -0.024 74 HB3 MET 35 HB1 MET 35 4.044 16.565 1.650 75 HG2 MET 35 HG2 MET 35 6.209 16.269 0.610 76 HG3 MET 35 HG1 MET 35 5.504 14.712 1.040 77 HE1 MET 35 HE1 MET 35 6.292 17.224 -1.868 78 HE2 MET 35 HE2 MET 35 4.549 17.004 -2.025 79 HE3 MET 35 HE3 MET 35 5.631 16.373 -3.266 80 H VAL 36 HN VAL 36 2.648 15.147 2.865 81 HA VAL 36 HA VAL 36 3.814 12.615 3.295 82 HB VAL 36 HB VAL 36 2.841 12.756 5.565 83 HG11 VAL 36 HG11 VAL 36 4.024 14.793 6.254 84 HG12 VAL 36 HG12 VAL 36 4.109 15.307 4.571 85 HG13 VAL 36 HG13 VAL 36 4.958 13.852 5.093 86 HG21 VAL 36 HG21 VAL 36 1.569 14.764 6.201 87 HG22 VAL 36 HG22 VAL 36 0.709 13.783 5.017 88 HG23 VAL 36 HG23 VAL 36 1.528 15.260 4.509 89 H GLY 37 HN GLY 37 0.624 13.585 2.382 90 HA2 GLY 37 HA2 GLY 37 -0.637 11.115 3.207 91 HA3 GLY 37 HA1 GLY 37 -1.383 12.415 2.287 92 H GLY 38 HN GLY 38 1.188 12.121 0.519 93 HA2 GLY 38 HA2 GLY 38 -0.073 10.203 -1.292 94 HA3 GLY 38 HA1 GLY 38 1.187 11.353 -1.713 95 H VAL 39 HN VAL 39 2.727 10.482 0.738 96 HA VAL 39 HA VAL 39 4.171 8.358 -0.581 97 HB VAL 39 HB VAL 39 5.766 8.558 1.298 98 HG11 VAL 39 HG11 VAL 39 6.048 9.950 -0.673 99 HG12 VAL 39 HG12 VAL 39 6.538 10.829 0.774 100 HG13 VAL 39 HG13 VAL 39 4.984 11.175 0.019 101 HG21 VAL 39 HG21 VAL 39 3.872 10.690 2.287 102 HG22 VAL 39 HG22 VAL 39 5.473 10.351 2.946 103 HG23 VAL 39 HG23 VAL 39 4.195 9.141 3.067 104 H VAL 40 HN VAL 40 2.103 8.717 2.236 105 HA VAL 40 HA VAL 40 2.652 6.192 3.397 106 HB VAL 40 HB VAL 40 0.195 7.938 3.643 107 HG11 VAL 40 HG11 VAL 40 1.073 5.572 5.299 108 HG12 VAL 40 HG12 VAL 40 -0.349 5.660 4.260 109 HG13 VAL 40 HG13 VAL 40 -0.251 6.663 5.707 110 HG21 VAL 40 HG21 VAL 40 2.315 8.971 4.384 111 HG22 VAL 40 HG22 VAL 40 2.554 7.626 5.498 112 HG23 VAL 40 HG23 VAL 40 1.181 8.711 5.707 113 H ILE 41 HN ILE 41 0.066 7.314 1.233 114 HA ILE 41 HA ILE 41 -1.236 4.792 1.066 115 HB ILE 41 HB ILE 41 -1.362 7.077 -0.903 116 HG12 ILE 41 HG12 ILE 41 -1.916 7.835 1.360 117 HG13 ILE 41 HG11 ILE 41 -3.352 7.809 0.342 118 HG21 ILE 41 HG21 ILE 41 -3.580 6.140 -1.450 119 HG22 ILE 41 HG22 ILE 41 -3.237 4.775 -0.389 120 HG23 ILE 41 HG23 ILE 41 -2.254 5.039 -1.830 121 HD11 ILE 41 HD11 ILE 41 -3.844 6.980 2.561 122 HD12 ILE 41 HD12 ILE 41 -2.596 5.744 2.399 123 HD13 ILE 41 HD13 ILE 41 -4.027 5.693 1.371 124 H ALA 42 HN ALA 42 1.477 6.201 -0.569 125 HA ALA 42 HA ALA 42 1.402 4.343 -2.786 126 HB1 ALA 42 HB1 ALA 42 3.460 5.428 -3.507 127 HB2 ALA 42 HB2 ALA 42 3.538 6.316 -1.985 128 HB3 ALA 42 HB3 ALA 42 2.223 6.624 -3.118 129 H THR 43 HN THR 43 2.957 4.588 0.326 130 HA THR 43 HA THR 43 4.904 2.533 -0.247 131 HB THR 43 HB THR 43 4.152 3.792 2.399 132 HG1 THR 43 HG1 THR 43 5.475 5.346 1.838 133 HG21 THR 43 HG21 THR 43 6.526 2.093 1.622 134 HG22 THR 43 HG22 THR 43 5.215 1.619 2.703 135 HG23 THR 43 HG23 THR 43 6.320 2.913 3.170 136 H VAL 44 HN VAL 44 1.823 2.785 1.448 137 HA VAL 44 HA VAL 44 1.845 0.247 2.663 138 HB VAL 44 HB VAL 44 0.266 2.031 3.296 139 HG11 VAL 44 HG11 VAL 44 -0.252 2.879 1.070 140 HG12 VAL 44 HG12 VAL 44 -1.725 2.453 1.942 141 HG13 VAL 44 HG13 VAL 44 -1.101 1.381 0.687 142 HG21 VAL 44 HG21 VAL 44 -0.210 -0.270 3.928 143 HG22 VAL 44 HG22 VAL 44 -1.059 -0.527 2.403 144 HG23 VAL 44 HG23 VAL 44 -1.705 0.605 3.591 145 H THR 45 HN THR 45 1.226 1.249 -0.591 146 HA THR 45 HA THR 45 -0.318 -0.916 -1.494 147 HB THR 45 HB THR 45 1.699 0.681 -3.089 148 HG1 THR 45 HG1 THR 45 0.295 2.192 -2.436 149 HG21 THR 45 HG21 THR 45 0.288 0.084 -5.010 150 HG22 THR 45 HG22 THR 45 -0.725 -0.903 -3.956 151 HG23 THR 45 HG23 THR 45 0.959 -1.350 -4.233 152 H VAL 46 HN VAL 46 3.129 -0.552 -0.986 153 HA VAL 46 HA VAL 46 3.869 -2.936 -2.393 154 HB VAL 46 HB VAL 46 5.452 -1.403 -0.325 155 HG11 VAL 46 HG11 VAL 46 7.404 -2.435 -1.406 156 HG12 VAL 46 HG12 VAL 46 6.325 -3.364 -2.447 157 HG13 VAL 46 HG13 VAL 46 6.324 -3.639 -0.705 158 HG21 VAL 46 HG21 VAL 46 5.431 -1.126 -3.329 159 HG22 VAL 46 HG22 VAL 46 6.511 -0.281 -2.222 160 HG23 VAL 46 HG23 VAL 46 4.778 0.039 -2.177 161 H ILE 47 HN ILE 47 2.843 -2.176 0.835 162 HA ILE 47 HA ILE 47 3.847 -4.535 2.087 163 HB ILE 47 HB ILE 47 1.556 -2.788 2.992 164 HG12 ILE 47 HG12 ILE 47 4.487 -2.607 3.725 165 HG13 ILE 47 HG11 ILE 47 3.676 -1.533 2.590 166 HG21 ILE 47 HG21 ILE 47 3.342 -4.682 4.521 167 HG22 ILE 47 HG22 ILE 47 1.648 -4.953 4.112 168 HG23 ILE 47 HG23 ILE 47 2.089 -3.656 5.219 169 HD11 ILE 47 HD11 ILE 47 2.220 -0.739 4.369 170 HD12 ILE 47 HD12 ILE 47 3.920 -0.511 4.784 171 HD13 ILE 47 HD13 ILE 47 3.005 -1.834 5.509 172 H THR 48 HN THR 48 0.826 -3.660 0.511 173 HA THR 48 HA THR 48 -0.685 -5.898 1.330 174 HB THR 48 HB THR 48 -1.011 -4.287 -1.209 175 HG1 THR 48 HG1 THR 48 -2.236 -3.909 1.339 176 HG21 THR 48 HG21 THR 48 -2.284 -6.378 -1.209 177 HG22 THR 48 HG22 THR 48 -3.356 -4.984 -1.070 178 HG23 THR 48 HG23 THR 48 -2.986 -5.956 0.355 179 H LEU 49 HN LEU 49 1.705 -5.449 -1.149 180 HA LEU 49 HA LEU 49 1.049 -7.580 -2.850 181 HB2 LEU 49 HB2 LEU 49 3.788 -6.480 -2.213 182 HB3 LEU 49 HB1 LEU 49 3.374 -7.458 -3.606 183 HG LEU 49 HG LEU 49 2.315 -4.686 -3.042 184 HD11 LEU 49 HD11 LEU 49 4.681 -4.679 -3.631 185 HD12 LEU 49 HD12 LEU 49 3.700 -4.008 -4.934 186 HD13 LEU 49 HD13 LEU 49 4.334 -5.648 -5.064 187 HD21 LEU 49 HD21 LEU 49 0.697 -6.023 -4.256 188 HD22 LEU 49 HD22 LEU 49 1.935 -6.512 -5.413 189 HD23 LEU 49 HD23 LEU 49 1.420 -4.827 -5.329 190 H VAL 50 HN VAL 50 3.217 -7.457 -0.035 191 HA VAL 50 HA VAL 50 3.716 -10.308 -0.186 192 HB VAL 50 HB VAL 50 4.546 -8.379 1.985 193 HG11 VAL 50 HG11 VAL 50 5.607 -11.094 1.209 194 HG12 VAL 50 HG12 VAL 50 4.654 -10.720 2.644 195 HG13 VAL 50 HG13 VAL 50 6.273 -10.046 2.464 196 HG21 VAL 50 HG21 VAL 50 6.703 -8.252 0.824 197 HG22 VAL 50 HG22 VAL 50 5.390 -7.619 -0.170 198 HG23 VAL 50 HG23 VAL 50 6.046 -9.224 -0.493 199 H MET 51 HN MET 51 1.543 -8.165 1.413 200 HA MET 51 HA MET 51 0.933 -9.655 3.710 201 HB2 MET 51 HB2 MET 51 0.231 -7.317 3.361 202 HB3 MET 51 HB1 MET 51 -0.888 -7.846 2.111 203 HG2 MET 51 HG2 MET 51 -2.147 -9.120 3.751 204 HG3 MET 51 HG1 MET 51 -1.007 -8.649 5.010 205 HE1 MET 51 HE1 MET 51 -4.140 -8.242 5.337 206 HE2 MET 51 HE2 MET 51 -4.177 -6.616 6.023 207 HE3 MET 51 HE3 MET 51 -2.946 -7.765 6.545 208 H LEU 52 HN LEU 52 -0.267 -9.869 0.404 209 HA LEU 52 HA LEU 52 -2.225 -11.884 1.106 210 HB2 LEU 52 HB2 LEU 52 -2.770 -11.902 -1.269 211 HB3 LEU 52 HB1 LEU 52 -2.752 -10.265 -0.636 212 HG LEU 52 HG LEU 52 -0.250 -10.351 -1.569 213 HD11 LEU 52 HD11 LEU 52 -1.778 -12.256 -3.336 214 HD12 LEU 52 HD12 LEU 52 -0.363 -12.639 -2.356 215 HD13 LEU 52 HD13 LEU 52 -0.217 -11.534 -3.725 216 HD21 LEU 52 HD21 LEU 52 -2.710 -9.846 -3.239 217 HD22 LEU 52 HD22 LEU 52 -1.086 -9.256 -3.592 218 HD23 LEU 52 HD23 LEU 52 -1.935 -8.695 -2.153 219 H LYS 53 HN LYS 53 1.055 -11.763 0.198 220 HA LYS 53 HA LYS 53 1.327 -14.200 -1.178 221 HB2 LYS 53 HB2 LYS 53 3.049 -12.378 -1.038 222 HB3 LYS 53 HB1 LYS 53 3.385 -12.894 0.609 223 HG2 LYS 53 HG2 LYS 53 5.039 -13.845 -0.809 224 HG3 LYS 53 HG1 LYS 53 3.968 -15.147 -0.289 225 HD2 LYS 53 HD2 LYS 53 4.394 -15.437 -2.626 226 HD3 LYS 53 HD1 LYS 53 2.729 -14.879 -2.447 227 HE2 LYS 53 HE2 LYS 53 3.473 -12.583 -2.953 228 HE3 LYS 53 HE1 LYS 53 5.110 -13.188 -3.198 229 HZ1 LYS 53 HZ1 LYS 53 2.724 -13.985 -4.774 230 HZ2 LYS 53 HZ2 LYS 53 4.297 -14.556 -5.014 231 HZ3 LYS 53 HZ3 LYS 53 3.938 -12.926 -5.292 232 H LYS 54 HN LYS 54 0.756 -13.508 2.132 233 HA LYS 54 HA LYS 54 1.922 -15.657 3.442 234 HB2 LYS 54 HB2 LYS 54 -0.713 -14.280 3.986 235 HB3 LYS 54 HB1 LYS 54 0.045 -15.420 5.089 236 HG2 LYS 54 HG2 LYS 54 1.964 -13.945 5.323 237 HG3 LYS 54 HG1 LYS 54 1.252 -12.816 4.173 238 HD2 LYS 54 HD2 LYS 54 0.854 -12.027 6.420 239 HD3 LYS 54 HD1 LYS 54 -0.676 -12.531 5.698 240 HE2 LYS 54 HE2 LYS 54 -0.513 -14.675 6.882 241 HE3 LYS 54 HE1 LYS 54 1.003 -14.150 7.616 242 HZ1 LYS 54 HZ1 LYS 54 -1.647 -12.860 7.995 243 HZ2 LYS 54 HZ2 LYS 54 -0.196 -12.343 8.693 244 HZ3 LYS 54 HZ3 LYS 54 -0.852 -13.840 9.122 245 H LYS 55 HN LYS 55 -1.036 -15.497 1.562 246 HA LYS 55 HA LYS 55 -2.485 -17.071 0.802 247 HB2 LYS 55 HB2 LYS 55 -0.045 -17.882 0.070 248 HB3 LYS 55 HB1 LYS 55 -0.468 -19.237 1.107 249 HG2 LYS 55 HG2 LYS 55 -1.059 -19.804 -1.126 250 HG3 LYS 55 HG1 LYS 55 -2.552 -19.522 -0.226 251 HD2 LYS 55 HD2 LYS 55 -2.774 -18.461 -2.359 252 HD3 LYS 55 HD1 LYS 55 -2.568 -17.193 -1.149 253 HE2 LYS 55 HE2 LYS 55 -0.187 -17.046 -1.731 254 HE3 LYS 55 HE1 LYS 55 -0.418 -18.290 -2.960 255 HZ1 LYS 55 HZ1 LYS 55 -1.694 -15.607 -2.916 256 HZ2 LYS 55 HZ2 LYS 55 -1.996 -16.805 -4.072 257 HZ3 LYS 55 HZ3 LYS 55 -0.459 -16.111 -3.958 Start of MODEL 6 1 H1 SER 26 HT1 SER 26 -5.188 25.291 -16.031 2 H2 SER 26 HT2 SER 26 -5.130 25.821 -14.425 3 H3 SER 26 HT3 SER 26 -6.036 24.451 -14.829 4 HA SER 26 HA SER 26 -4.058 23.248 -15.424 5 HB2 SER 26 HB2 SER 26 -1.841 24.253 -14.978 6 HB3 SER 26 HB1 SER 26 -2.728 25.148 -16.210 7 HG SER 26 HG SER 26 -3.290 26.118 -13.763 8 H ASN 27 HN ASN 27 -3.882 21.759 -13.898 9 HA ASN 27 HA ASN 27 -3.944 22.618 -11.082 10 HB2 ASN 27 HB2 ASN 27 -4.820 20.000 -12.323 11 HB3 ASN 27 HB1 ASN 27 -4.826 20.346 -10.597 12 HD21 ASN 27 HD21 ASN 27 -6.324 21.810 -9.766 13 HD22 ASN 27 HD22 ASN 27 -7.734 22.274 -10.652 14 H LYS 28 HN LYS 28 -1.554 22.953 -11.618 15 HA LYS 28 HA LYS 28 -0.061 20.434 -11.325 16 HB2 LYS 28 HB2 LYS 28 0.599 21.741 -13.268 17 HB3 LYS 28 HB1 LYS 28 0.850 23.161 -12.262 18 HG2 LYS 28 HG2 LYS 28 2.675 22.000 -11.100 19 HG3 LYS 28 HG1 LYS 28 2.436 20.602 -12.150 20 HD2 LYS 28 HD2 LYS 28 3.047 23.359 -13.194 21 HD3 LYS 28 HD1 LYS 28 4.299 22.178 -12.813 22 HE2 LYS 28 HE2 LYS 28 2.042 21.738 -14.765 23 HE3 LYS 28 HE1 LYS 28 3.680 22.209 -15.209 24 HZ1 LYS 28 HZ1 LYS 28 4.497 20.151 -14.240 25 HZ2 LYS 28 HZ2 LYS 28 3.350 19.830 -15.441 26 HZ3 LYS 28 HZ3 LYS 28 2.923 19.701 -13.810 27 H GLY 29 HN GLY 29 -0.506 23.661 -9.983 28 HA2 GLY 29 HA2 GLY 29 1.454 23.258 -7.900 29 HA3 GLY 29 HA1 GLY 29 0.381 24.637 -8.071 30 H ALA 30 HN ALA 30 -1.918 22.662 -8.302 31 HA ALA 30 HA ALA 30 -2.669 22.731 -5.564 32 HB1 ALA 30 HB1 ALA 30 -4.296 22.932 -7.379 33 HB2 ALA 30 HB2 ALA 30 -4.701 21.604 -6.289 34 HB3 ALA 30 HB3 ALA 30 -3.966 21.266 -7.856 35 H ILE 31 HN ILE 31 -1.732 20.086 -7.746 36 HA ILE 31 HA ILE 31 -2.108 17.993 -5.906 37 HB ILE 31 HB ILE 31 -1.875 17.607 -8.319 38 HG12 ILE 31 HG12 ILE 31 0.326 16.195 -6.800 39 HG13 ILE 31 HG11 ILE 31 -1.385 15.814 -6.624 40 HG21 ILE 31 HG21 ILE 31 0.346 17.653 -9.368 41 HG22 ILE 31 HG22 ILE 31 1.019 18.333 -7.887 42 HG23 ILE 31 HG23 ILE 31 -0.163 19.250 -8.818 43 HD11 ILE 31 HD11 ILE 31 -0.281 14.255 -8.118 44 HD12 ILE 31 HD12 ILE 31 0.228 15.588 -9.155 45 HD13 ILE 31 HD13 ILE 31 -1.485 15.208 -8.987 46 H ILE 32 HN ILE 32 0.382 20.355 -6.198 47 HA ILE 32 HA ILE 32 2.576 19.053 -5.094 48 HB ILE 32 HB ILE 32 1.775 21.935 -4.661 49 HG12 ILE 32 HG12 ILE 32 1.873 21.364 -7.040 50 HG13 ILE 32 HG11 ILE 32 3.214 22.414 -6.598 51 HG21 ILE 32 HG21 ILE 32 4.461 20.586 -4.437 52 HG22 ILE 32 HG22 ILE 32 3.501 21.237 -3.109 53 HG23 ILE 32 HG23 ILE 32 4.175 22.324 -4.324 54 HD11 ILE 32 HD11 ILE 32 3.360 19.431 -6.979 55 HD12 ILE 32 HD12 ILE 32 4.704 20.483 -6.537 56 HD13 ILE 32 HD13 ILE 32 3.929 20.658 -8.111 57 H GLY 33 HN GLY 33 -0.324 20.261 -3.570 58 HA2 GLY 33 HA2 GLY 33 0.745 20.051 -0.889 59 HA3 GLY 33 HA1 GLY 33 -0.916 20.429 -1.327 60 H LEU 34 HN LEU 34 -1.184 18.081 -3.053 61 HA LEU 34 HA LEU 34 -1.829 16.172 -0.967 62 HB2 LEU 34 HB2 LEU 34 -2.282 15.882 -3.933 63 HB3 LEU 34 HB1 LEU 34 -3.077 15.000 -2.642 64 HG LEU 34 HG LEU 34 -3.434 17.926 -3.294 65 HD11 LEU 34 HD11 LEU 34 -4.548 16.402 -4.842 66 HD12 LEU 34 HD12 LEU 34 -5.713 17.277 -3.848 67 HD13 LEU 34 HD13 LEU 34 -5.333 15.593 -3.486 68 HD21 LEU 34 HD21 LEU 34 -4.668 16.267 -1.099 69 HD22 LEU 34 HD22 LEU 34 -5.152 17.905 -1.537 70 HD23 LEU 34 HD23 LEU 34 -3.538 17.604 -0.892 71 H MET 35 HN MET 35 0.892 16.832 -2.593 72 HA MET 35 HA MET 35 1.776 14.375 -3.619 73 HB2 MET 35 HB2 MET 35 2.899 16.482 -4.120 74 HB3 MET 35 HB1 MET 35 3.367 16.656 -2.434 75 HG2 MET 35 HG2 MET 35 4.765 14.673 -2.603 76 HG3 MET 35 HG1 MET 35 4.275 14.461 -4.282 77 HE1 MET 35 HE1 MET 35 6.182 16.770 -1.736 78 HE2 MET 35 HE2 MET 35 5.020 17.876 -2.465 79 HE3 MET 35 HE3 MET 35 6.742 18.067 -2.788 80 H VAL 36 HN VAL 36 1.900 15.738 -0.370 81 HA VAL 36 HA VAL 36 3.587 13.774 0.767 82 HB VAL 36 HB VAL 36 2.731 14.548 2.944 83 HG11 VAL 36 HG11 VAL 36 3.466 16.876 2.755 84 HG12 VAL 36 HG12 VAL 36 3.319 16.778 1.001 85 HG13 VAL 36 HG13 VAL 36 4.515 15.790 1.841 86 HG21 VAL 36 HG21 VAL 36 0.395 14.876 2.362 87 HG22 VAL 36 HG22 VAL 36 0.828 16.201 1.283 88 HG23 VAL 36 HG23 VAL 36 1.072 16.363 3.024 89 H GLY 37 HN GLY 37 0.251 13.766 -0.103 90 HA2 GLY 37 HA2 GLY 37 -0.450 11.557 1.640 91 HA3 GLY 37 HA1 GLY 37 -1.483 12.305 0.429 92 H GLY 38 HN GLY 38 1.021 11.913 -1.400 93 HA2 GLY 38 HA2 GLY 38 0.101 9.351 -2.424 94 HA3 GLY 38 HA1 GLY 38 1.193 10.465 -3.230 95 H VAL 39 HN VAL 39 2.598 10.440 -0.403 96 HA VAL 39 HA VAL 39 4.479 8.371 -1.170 97 HB VAL 39 HB VAL 39 5.969 9.265 0.444 98 HG11 VAL 39 HG11 VAL 39 4.414 11.544 -0.768 99 HG12 VAL 39 HG12 VAL 39 5.718 10.641 -1.539 100 HG13 VAL 39 HG13 VAL 39 6.054 11.645 -0.128 101 HG21 VAL 39 HG21 VAL 39 5.260 11.028 2.059 102 HG22 VAL 39 HG22 VAL 39 4.557 9.439 2.362 103 HG23 VAL 39 HG23 VAL 39 3.590 10.700 1.600 104 H VAL 40 HN VAL 40 2.009 8.913 1.223 105 HA VAL 40 HA VAL 40 2.823 6.713 2.907 106 HB VAL 40 HB VAL 40 0.213 8.239 2.926 107 HG11 VAL 40 HG11 VAL 40 1.524 6.511 5.021 108 HG12 VAL 40 HG12 VAL 40 0.085 6.106 4.086 109 HG13 VAL 40 HG13 VAL 40 0.041 7.439 5.238 110 HG21 VAL 40 HG21 VAL 40 2.736 8.722 4.508 111 HG22 VAL 40 HG22 VAL 40 1.202 9.559 4.739 112 HG23 VAL 40 HG23 VAL 40 2.093 9.755 3.231 113 H ILE 41 HN ILE 41 0.148 7.372 0.659 114 HA ILE 41 HA ILE 41 -1.087 4.849 0.895 115 HB ILE 41 HB ILE 41 -1.152 6.737 -1.465 116 HG12 ILE 41 HG12 ILE 41 -3.067 6.507 0.867 117 HG13 ILE 41 HG11 ILE 41 -1.833 7.752 0.714 118 HG21 ILE 41 HG21 ILE 41 -3.286 5.646 -1.994 119 HG22 ILE 41 HG22 ILE 41 -3.032 4.522 -0.659 120 HG23 ILE 41 HG23 ILE 41 -1.939 4.509 -2.042 121 HD11 ILE 41 HD11 ILE 41 -4.004 8.596 0.061 122 HD12 ILE 41 HD12 ILE 41 -4.158 7.322 -1.148 123 HD13 ILE 41 HD13 ILE 41 -2.915 8.560 -1.326 124 H ALA 42 HN ALA 42 1.656 5.954 -0.926 125 HA ALA 42 HA ALA 42 1.696 3.751 -2.765 126 HB1 ALA 42 HB1 ALA 42 3.874 4.614 -3.441 127 HB2 ALA 42 HB2 ALA 42 3.874 5.717 -2.065 128 HB3 ALA 42 HB3 ALA 42 2.683 5.911 -3.351 129 H THR 43 HN THR 43 2.834 4.331 0.439 130 HA THR 43 HA THR 43 4.835 2.269 0.440 131 HB THR 43 HB THR 43 3.527 3.645 2.795 132 HG1 THR 43 HG1 THR 43 4.735 5.284 2.237 133 HG21 THR 43 HG21 THR 43 6.110 2.090 2.587 134 HG22 THR 43 HG22 THR 43 4.639 1.551 3.400 135 HG23 THR 43 HG23 THR 43 5.531 2.939 4.020 136 H VAL 44 HN VAL 44 1.547 2.594 1.752 137 HA VAL 44 HA VAL 44 1.391 0.056 2.937 138 HB VAL 44 HB VAL 44 -0.208 1.850 3.427 139 HG11 VAL 44 HG11 VAL 44 -2.044 2.327 1.860 140 HG12 VAL 44 HG12 VAL 44 -1.254 1.314 0.652 141 HG13 VAL 44 HG13 VAL 44 -0.471 2.791 1.213 142 HG21 VAL 44 HG21 VAL 44 -1.507 -0.641 2.326 143 HG22 VAL 44 HG22 VAL 44 -2.240 0.482 3.470 144 HG23 VAL 44 HG23 VAL 44 -0.821 -0.453 3.939 145 H THR 45 HN THR 45 0.987 1.097 -0.365 146 HA THR 45 HA THR 45 -0.445 -1.084 -1.386 147 HB THR 45 HB THR 45 1.644 0.572 -2.816 148 HG1 THR 45 HG1 THR 45 -0.507 1.447 -1.752 149 HG21 THR 45 HG21 THR 45 1.056 -1.481 -4.020 150 HG22 THR 45 HG22 THR 45 0.430 -0.057 -4.850 151 HG23 THR 45 HG23 THR 45 -0.654 -1.068 -3.895 152 H VAL 46 HN VAL 46 3.069 -0.530 -1.242 153 HA VAL 46 HA VAL 46 3.840 -2.967 -2.399 154 HB VAL 46 HB VAL 46 5.382 -1.371 -0.347 155 HG11 VAL 46 HG11 VAL 46 6.304 -3.589 -0.710 156 HG12 VAL 46 HG12 VAL 46 7.357 -2.364 -1.417 157 HG13 VAL 46 HG13 VAL 46 6.302 -3.324 -2.453 158 HG21 VAL 46 HG21 VAL 46 5.327 -1.111 -3.352 159 HG22 VAL 46 HG22 VAL 46 6.426 -0.257 -2.269 160 HG23 VAL 46 HG23 VAL 46 4.693 0.055 -2.191 161 H ILE 47 HN ILE 47 2.939 -2.123 0.873 162 HA ILE 47 HA ILE 47 3.919 -4.498 2.105 163 HB ILE 47 HB ILE 47 1.759 -2.618 3.070 164 HG12 ILE 47 HG12 ILE 47 3.872 -1.443 2.666 165 HG13 ILE 47 HG11 ILE 47 3.546 -1.561 4.392 166 HG21 ILE 47 HG21 ILE 47 1.686 -4.748 4.220 167 HG22 ILE 47 HG22 ILE 47 2.304 -3.498 5.298 168 HG23 ILE 47 HG23 ILE 47 3.413 -4.652 4.560 169 HD11 ILE 47 HD11 ILE 47 5.893 -1.956 3.880 170 HD12 ILE 47 HD12 ILE 47 5.443 -3.309 2.841 171 HD13 ILE 47 HD13 ILE 47 5.138 -3.389 4.576 172 H THR 48 HN THR 48 0.863 -3.551 0.646 173 HA THR 48 HA THR 48 -0.601 -5.823 1.563 174 HB THR 48 HB THR 48 -1.209 -3.998 -0.771 175 HG1 THR 48 HG1 THR 48 -2.613 -3.757 1.604 176 HG21 THR 48 HG21 THR 48 -2.991 -5.864 0.800 177 HG22 THR 48 HG22 THR 48 -2.451 -6.104 -0.863 178 HG23 THR 48 HG23 THR 48 -3.522 -4.758 -0.468 179 H LEU 49 HN LEU 49 1.247 -5.068 -1.342 180 HA LEU 49 HA LEU 49 0.424 -7.385 -2.793 181 HB2 LEU 49 HB2 LEU 49 2.848 -5.623 -3.166 182 HB3 LEU 49 HB1 LEU 49 2.281 -6.822 -4.312 183 HG LEU 49 HG LEU 49 0.774 -4.338 -3.483 184 HD11 LEU 49 HD11 LEU 49 2.731 -3.852 -4.863 185 HD12 LEU 49 HD12 LEU 49 1.231 -3.563 -5.745 186 HD13 LEU 49 HD13 LEU 49 2.175 -5.019 -6.064 187 HD21 LEU 49 HD21 LEU 49 0.121 -6.445 -5.540 188 HD22 LEU 49 HD22 LEU 49 -0.767 -4.941 -5.291 189 HD23 LEU 49 HD23 LEU 49 -0.736 -6.166 -4.024 190 H VAL 50 HN VAL 50 3.395 -6.542 -1.025 191 HA VAL 50 HA VAL 50 4.724 -8.980 -1.422 192 HB VAL 50 HB VAL 50 5.771 -6.865 -0.577 193 HG11 VAL 50 HG11 VAL 50 5.712 -6.391 1.807 194 HG12 VAL 50 HG12 VAL 50 4.589 -7.725 2.059 195 HG13 VAL 50 HG13 VAL 50 4.091 -6.319 1.119 196 HG21 VAL 50 HG21 VAL 50 6.973 -8.982 -0.523 197 HG22 VAL 50 HG22 VAL 50 6.266 -9.357 1.049 198 HG23 VAL 50 HG23 VAL 50 7.380 -8.000 0.885 199 H MET 51 HN MET 51 2.080 -8.167 0.598 200 HA MET 51 HA MET 51 2.409 -9.996 2.696 201 HB2 MET 51 HB2 MET 51 0.746 -8.175 2.701 202 HB3 MET 51 HB1 MET 51 -0.164 -9.013 1.452 203 HG2 MET 51 HG2 MET 51 -1.262 -9.451 3.483 204 HG3 MET 51 HG1 MET 51 -0.402 -10.930 3.058 205 HE1 MET 51 HE1 MET 51 2.138 -11.454 5.778 206 HE2 MET 51 HE2 MET 51 2.282 -11.200 4.040 207 HE3 MET 51 HE3 MET 51 0.981 -12.202 4.678 208 H LEU 52 HN LEU 52 0.364 -10.338 -0.213 209 HA LEU 52 HA LEU 52 -0.026 -13.138 0.251 210 HB2 LEU 52 HB2 LEU 52 -1.117 -13.078 -2.005 211 HB3 LEU 52 HB1 LEU 52 -1.799 -11.990 -0.811 212 HG LEU 52 HG LEU 52 -0.214 -10.224 -1.928 213 HD11 LEU 52 HD11 LEU 52 0.973 -11.756 -3.379 214 HD12 LEU 52 HD12 LEU 52 0.037 -10.613 -4.342 215 HD13 LEU 52 HD13 LEU 52 -0.544 -12.264 -4.121 216 HD21 LEU 52 HD21 LEU 52 -2.017 -9.623 -3.466 217 HD22 LEU 52 HD22 LEU 52 -2.644 -10.093 -1.887 218 HD23 LEU 52 HD23 LEU 52 -2.740 -11.217 -3.244 219 H LYS 53 HN LYS 53 2.379 -11.275 -1.302 220 HA LYS 53 HA LYS 53 3.251 -13.372 -3.089 221 HB2 LYS 53 HB2 LYS 53 4.397 -10.682 -2.362 222 HB3 LYS 53 HB1 LYS 53 5.218 -11.798 -3.440 223 HG2 LYS 53 HG2 LYS 53 3.322 -11.733 -4.969 224 HG3 LYS 53 HG1 LYS 53 2.477 -10.632 -3.880 225 HD2 LYS 53 HD2 LYS 53 4.194 -8.952 -4.193 226 HD3 LYS 53 HD1 LYS 53 5.130 -10.060 -5.197 227 HE2 LYS 53 HE2 LYS 53 3.866 -8.419 -6.530 228 HE3 LYS 53 HE1 LYS 53 3.384 -10.081 -6.868 229 HZ1 LYS 53 HZ1 LYS 53 1.930 -8.204 -5.080 230 HZ2 LYS 53 HZ2 LYS 53 1.457 -9.783 -5.457 231 HZ3 LYS 53 HZ3 LYS 53 1.477 -8.596 -6.662 232 H LYS 54 HN LYS 54 3.701 -12.582 0.178 233 HA LYS 54 HA LYS 54 6.346 -13.457 0.599 234 HB2 LYS 54 HB2 LYS 54 5.006 -12.142 2.231 235 HB3 LYS 54 HB1 LYS 54 4.028 -13.571 2.537 236 HG2 LYS 54 HG2 LYS 54 5.925 -14.743 3.437 237 HG3 LYS 54 HG1 LYS 54 6.999 -13.409 3.005 238 HD2 LYS 54 HD2 LYS 54 6.505 -13.274 5.353 239 HD3 LYS 54 HD1 LYS 54 5.697 -11.942 4.530 240 HE2 LYS 54 HE2 LYS 54 4.213 -12.931 6.169 241 HE3 LYS 54 HE1 LYS 54 3.602 -13.228 4.542 242 HZ1 LYS 54 HZ1 LYS 54 3.450 -15.203 5.925 243 HZ2 LYS 54 HZ2 LYS 54 5.119 -15.176 6.195 244 HZ3 LYS 54 HZ3 LYS 54 4.520 -15.460 4.639 245 H LYS 55 HN LYS 55 3.553 -15.179 -0.242 246 HA LYS 55 HA LYS 55 3.914 -17.617 1.081 247 HB2 LYS 55 HB2 LYS 55 2.722 -17.006 -1.625 248 HB3 LYS 55 HB1 LYS 55 2.656 -18.592 -0.873 249 HG2 LYS 55 HG2 LYS 55 1.392 -17.675 0.992 250 HG3 LYS 55 HG1 LYS 55 1.491 -16.064 0.277 251 HD2 LYS 55 HD2 LYS 55 0.188 -16.768 -1.619 252 HD3 LYS 55 HD1 LYS 55 0.214 -18.443 -1.066 253 HE2 LYS 55 HE2 LYS 55 -1.924 -17.366 -0.568 254 HE3 LYS 55 HE1 LYS 55 -1.073 -17.825 0.907 255 HZ1 LYS 55 HZ1 LYS 55 -2.024 -15.616 1.086 256 HZ2 LYS 55 HZ2 LYS 55 -1.148 -15.097 -0.264 257 HZ3 LYS 55 HZ3 LYS 55 -0.335 -15.538 1.151 Start of MODEL 7 1 H1 SER 26 HT1 SER 26 -1.510 30.613 -0.678 2 H2 SER 26 HT2 SER 26 -2.846 31.643 -0.559 3 H3 SER 26 HT3 SER 26 -2.639 30.396 0.565 4 HA SER 26 HA SER 26 -0.876 32.751 0.228 5 HB2 SER 26 HB2 SER 26 -2.790 32.004 2.456 6 HB3 SER 26 HB1 SER 26 -1.706 33.396 2.464 7 HG SER 26 HG SER 26 -2.833 34.179 0.631 8 H ASN 27 HN ASN 27 -1.686 30.107 2.485 9 HA ASN 27 HA ASN 27 0.886 30.145 3.710 10 HB2 ASN 27 HB2 ASN 27 -1.336 28.097 3.811 11 HB3 ASN 27 HB1 ASN 27 0.109 28.045 4.816 12 HD21 ASN 27 HD21 ASN 27 -1.030 28.233 6.722 13 HD22 ASN 27 HD22 ASN 27 -1.801 29.701 7.206 14 H LYS 28 HN LYS 28 2.658 28.917 3.349 15 HA LYS 28 HA LYS 28 2.675 27.348 0.878 16 HB2 LYS 28 HB2 LYS 28 5.132 27.522 1.038 17 HB3 LYS 28 HB1 LYS 28 4.352 29.098 1.034 18 HG2 LYS 28 HG2 LYS 28 4.583 29.181 3.492 19 HG3 LYS 28 HG1 LYS 28 5.458 27.648 3.430 20 HD2 LYS 28 HD2 LYS 28 7.159 28.688 1.998 21 HD3 LYS 28 HD1 LYS 28 6.286 30.219 2.083 22 HE2 LYS 28 HE2 LYS 28 7.533 28.734 4.393 23 HE3 LYS 28 HE1 LYS 28 8.140 30.214 3.651 24 HZ1 LYS 28 HZ1 LYS 28 6.128 31.352 4.361 25 HZ2 LYS 28 HZ2 LYS 28 6.931 30.677 5.688 26 HZ3 LYS 28 HZ3 LYS 28 5.544 29.932 5.071 27 H GLY 29 HN GLY 29 3.011 27.025 4.320 28 HA2 GLY 29 HA2 GLY 29 4.244 24.426 4.239 29 HA3 GLY 29 HA1 GLY 29 3.583 25.223 5.658 30 H ALA 30 HN ALA 30 1.005 25.607 4.093 31 HA ALA 30 HA ALA 30 -0.400 23.433 5.149 32 HB1 ALA 30 HB1 ALA 30 -1.430 25.595 4.634 33 HB2 ALA 30 HB2 ALA 30 -2.308 24.258 3.891 34 HB3 ALA 30 HB3 ALA 30 -1.246 25.268 2.911 35 H ILE 31 HN ILE 31 0.560 24.083 1.777 36 HA ILE 31 HA ILE 31 -0.539 21.704 0.717 37 HB ILE 31 HB ILE 31 -0.009 23.623 -0.702 38 HG12 ILE 31 HG12 ILE 31 1.152 22.381 -2.541 39 HG13 ILE 31 HG11 ILE 31 1.501 21.094 -1.392 40 HG21 ILE 31 HG21 ILE 31 2.316 24.113 -1.325 41 HG22 ILE 31 HG22 ILE 31 2.870 22.935 -0.132 42 HG23 ILE 31 HG23 ILE 31 2.014 24.387 0.391 43 HD11 ILE 31 HD11 ILE 31 -0.889 20.725 -1.079 44 HD12 ILE 31 HD12 ILE 31 -0.418 20.550 -2.770 45 HD13 ILE 31 HD13 ILE 31 -1.238 22.014 -2.229 46 H ILE 32 HN ILE 32 2.507 22.417 2.265 47 HA ILE 32 HA ILE 32 4.058 20.284 1.360 48 HB ILE 32 HB ILE 32 4.093 21.523 4.114 49 HG12 ILE 32 HG12 ILE 32 4.358 23.194 2.341 50 HG13 ILE 32 HG11 ILE 32 5.863 22.973 3.224 51 HG21 ILE 32 HG21 ILE 32 6.192 19.934 2.644 52 HG22 ILE 32 HG22 ILE 32 5.298 19.425 4.078 53 HG23 ILE 32 HG23 ILE 32 6.435 20.770 4.178 54 HD11 ILE 32 HD11 ILE 32 5.207 21.810 0.525 55 HD12 ILE 32 HD12 ILE 32 6.715 21.575 1.410 56 HD13 ILE 32 HD13 ILE 32 6.268 23.184 0.844 57 H GLY 33 HN GLY 33 1.487 20.384 3.723 58 HA2 GLY 33 HA2 GLY 33 2.055 17.831 4.889 59 HA3 GLY 33 HA1 GLY 33 0.573 18.753 5.076 60 H LEU 34 HN LEU 34 0.387 18.859 2.042 61 HA LEU 34 HA LEU 34 -1.085 16.372 1.782 62 HB2 LEU 34 HB2 LEU 34 -0.859 18.834 0.064 63 HB3 LEU 34 HB1 LEU 34 -1.703 17.396 -0.478 64 HG LEU 34 HG LEU 34 -3.176 17.613 1.562 65 HD11 LEU 34 HD11 LEU 34 -3.283 19.826 2.618 66 HD12 LEU 34 HD12 LEU 34 -1.844 20.312 1.721 67 HD13 LEU 34 HD13 LEU 34 -1.743 19.020 2.917 68 HD21 LEU 34 HD21 LEU 34 -3.188 19.870 -0.439 69 HD22 LEU 34 HD22 LEU 34 -4.548 19.386 0.574 70 HD23 LEU 34 HD23 LEU 34 -3.925 18.283 -0.653 71 H MET 35 HN MET 35 1.994 17.520 1.047 72 HA MET 35 HA MET 35 2.499 16.152 -1.384 73 HB2 MET 35 HB2 MET 35 3.908 17.997 -0.643 74 HB3 MET 35 HB1 MET 35 4.396 17.084 0.777 75 HG2 MET 35 HG2 MET 35 5.504 15.447 -0.641 76 HG3 MET 35 HG1 MET 35 4.988 16.330 -2.076 77 HE1 MET 35 HE1 MET 35 8.866 16.969 -1.937 78 HE2 MET 35 HE2 MET 35 7.527 16.365 -2.916 79 HE3 MET 35 HE3 MET 35 8.019 15.497 -1.461 80 H VAL 36 HN VAL 36 2.970 15.308 2.019 81 HA VAL 36 HA VAL 36 4.238 12.812 1.494 82 HB VAL 36 HB VAL 36 3.866 12.321 3.867 83 HG11 VAL 36 HG11 VAL 36 5.138 14.198 4.799 84 HG12 VAL 36 HG12 VAL 36 4.781 15.151 3.358 85 HG13 VAL 36 HG13 VAL 36 5.771 13.698 3.230 86 HG21 VAL 36 HG21 VAL 36 2.742 13.977 5.304 87 HG22 VAL 36 HG22 VAL 36 1.642 13.250 4.132 88 HG23 VAL 36 HG23 VAL 36 2.265 14.877 3.866 89 H GLY 37 HN GLY 37 0.985 13.863 1.428 90 HA2 GLY 37 HA2 GLY 37 -0.371 11.511 2.165 91 HA3 GLY 37 HA1 GLY 37 -1.004 12.765 1.109 92 H GLY 38 HN GLY 38 1.574 12.132 -0.561 93 HA2 GLY 38 HA2 GLY 38 0.216 10.128 -2.203 94 HA3 GLY 38 HA1 GLY 38 1.537 11.164 -2.716 95 H VAL 39 HN VAL 39 3.120 10.507 -0.289 96 HA VAL 39 HA VAL 39 4.354 8.124 -1.354 97 HB VAL 39 HB VAL 39 6.111 8.482 0.282 98 HG11 VAL 39 HG11 VAL 39 6.174 9.790 -1.779 99 HG12 VAL 39 HG12 VAL 39 6.869 10.693 -0.433 100 HG13 VAL 39 HG13 VAL 39 5.243 11.071 -1.002 101 HG21 VAL 39 HG21 VAL 39 4.437 10.751 1.354 102 HG22 VAL 39 HG22 VAL 39 6.039 10.267 1.910 103 HG23 VAL 39 HG23 VAL 39 4.660 9.196 2.151 104 H VAL 40 HN VAL 40 2.324 8.969 1.351 105 HA VAL 40 HA VAL 40 2.826 6.673 2.938 106 HB VAL 40 HB VAL 40 0.397 8.472 2.854 107 HG11 VAL 40 HG11 VAL 40 -0.081 7.573 5.106 108 HG12 VAL 40 HG12 VAL 40 1.221 6.404 4.890 109 HG13 VAL 40 HG13 VAL 40 -0.197 6.347 3.843 110 HG21 VAL 40 HG21 VAL 40 2.559 9.561 3.437 111 HG22 VAL 40 HG22 VAL 40 2.703 8.445 4.796 112 HG23 VAL 40 HG23 VAL 40 1.368 9.598 4.738 113 H ILE 41 HN ILE 41 0.156 7.476 0.716 114 HA ILE 41 HA ILE 41 -1.142 4.981 0.922 115 HB ILE 41 HB ILE 41 -1.230 6.877 -1.431 116 HG12 ILE 41 HG12 ILE 41 -2.996 6.843 1.030 117 HG13 ILE 41 HG11 ILE 41 -1.688 7.990 0.760 118 HG21 ILE 41 HG21 ILE 41 -3.215 4.834 -0.432 119 HG22 ILE 41 HG22 ILE 41 -2.209 4.687 -1.874 120 HG23 ILE 41 HG23 ILE 41 -3.458 5.928 -1.794 121 HD11 ILE 41 HD11 ILE 41 -4.143 7.685 -0.954 122 HD12 ILE 41 HD12 ILE 41 -2.838 8.842 -1.213 123 HD13 ILE 41 HD13 ILE 41 -3.850 8.960 0.227 124 H ALA 42 HN ALA 42 1.652 5.992 -0.815 125 HA ALA 42 HA ALA 42 1.543 3.855 -2.760 126 HB1 ALA 42 HB1 ALA 42 3.772 5.788 -2.142 127 HB2 ALA 42 HB2 ALA 42 2.511 6.026 -3.351 128 HB3 ALA 42 HB3 ALA 42 3.678 4.717 -3.540 129 H THR 43 HN THR 43 2.869 4.374 0.394 130 HA THR 43 HA THR 43 4.830 2.272 0.226 131 HB THR 43 HB THR 43 3.754 3.707 2.663 132 HG1 THR 43 HG1 THR 43 5.050 5.257 2.060 133 HG21 THR 43 HG21 THR 43 6.216 1.989 2.311 134 HG22 THR 43 HG22 THR 43 4.775 1.564 3.238 135 HG23 THR 43 HG23 THR 43 5.801 2.900 3.763 136 H VAL 44 HN VAL 44 1.604 2.657 1.627 137 HA VAL 44 HA VAL 44 1.475 0.166 2.927 138 HB VAL 44 HB VAL 44 -0.097 1.991 3.397 139 HG11 VAL 44 HG11 VAL 44 -0.398 2.828 1.131 140 HG12 VAL 44 HG12 VAL 44 -1.953 2.461 1.876 141 HG13 VAL 44 HG13 VAL 44 -1.260 1.355 0.688 142 HG21 VAL 44 HG21 VAL 44 -2.140 0.639 3.541 143 HG22 VAL 44 HG22 VAL 44 -0.714 -0.282 4.014 144 HG23 VAL 44 HG23 VAL 44 -1.439 -0.532 2.426 145 H THR 45 HN THR 45 1.031 1.085 -0.401 146 HA THR 45 HA THR 45 -0.415 -1.198 -1.256 147 HB THR 45 HB THR 45 1.432 0.545 -2.901 148 HG1 THR 45 HG1 THR 45 -0.326 1.845 -3.216 149 HG21 THR 45 HG21 THR 45 0.818 -1.568 -3.993 150 HG22 THR 45 HG22 THR 45 0.067 -0.186 -4.793 151 HG23 THR 45 HG23 THR 45 -0.887 -1.212 -3.721 152 H VAL 46 HN VAL 46 2.955 -0.585 -0.660 153 HA VAL 46 HA VAL 46 3.976 -2.795 -2.150 154 HB VAL 46 HB VAL 46 5.267 -1.313 0.146 155 HG11 VAL 46 HG11 VAL 46 6.324 -3.459 -0.294 156 HG12 VAL 46 HG12 VAL 46 7.373 -2.135 -0.802 157 HG13 VAL 46 HG13 VAL 46 6.468 -3.054 -2.004 158 HG21 VAL 46 HG21 VAL 46 4.655 0.205 -1.655 159 HG22 VAL 46 HG22 VAL 46 5.459 -0.839 -2.827 160 HG23 VAL 46 HG23 VAL 46 6.405 -0.009 -1.593 161 H ILE 47 HN ILE 47 2.981 -2.311 1.199 162 HA ILE 47 HA ILE 47 3.958 -4.810 2.152 163 HB ILE 47 HB ILE 47 1.794 -3.064 3.333 164 HG12 ILE 47 HG12 ILE 47 4.748 -3.160 3.985 165 HG13 ILE 47 HG11 ILE 47 3.992 -1.921 2.989 166 HG21 ILE 47 HG21 ILE 47 3.481 -5.236 4.573 167 HG22 ILE 47 HG22 ILE 47 1.756 -5.332 4.216 168 HG23 ILE 47 HG23 ILE 47 2.343 -4.201 5.437 169 HD11 ILE 47 HD11 ILE 47 4.354 -1.144 5.263 170 HD12 ILE 47 HD12 ILE 47 3.377 -2.477 5.884 171 HD13 ILE 47 HD13 ILE 47 2.632 -1.226 4.888 172 H THR 48 HN THR 48 0.808 -3.687 0.992 173 HA THR 48 HA THR 48 -0.572 -6.107 1.577 174 HB THR 48 HB THR 48 -1.340 -4.014 -0.466 175 HG1 THR 48 HG1 THR 48 -2.093 -2.833 1.166 176 HG21 THR 48 HG21 THR 48 -2.625 -6.078 -0.645 177 HG22 THR 48 HG22 THR 48 -3.630 -4.786 0.011 178 HG23 THR 48 HG23 THR 48 -2.981 -6.027 1.081 179 H LEU 49 HN LEU 49 1.441 -5.067 -1.035 180 HA LEU 49 HA LEU 49 0.461 -6.905 -2.988 181 HB2 LEU 49 HB2 LEU 49 1.633 -4.847 -3.607 182 HB3 LEU 49 HB1 LEU 49 3.095 -5.441 -2.839 183 HG LEU 49 HG LEU 49 3.207 -7.272 -4.484 184 HD11 LEU 49 HD11 LEU 49 1.752 -7.212 -6.456 185 HD12 LEU 49 HD12 LEU 49 0.819 -5.909 -5.719 186 HD13 LEU 49 HD13 LEU 49 0.844 -7.509 -4.974 187 HD21 LEU 49 HD21 LEU 49 4.410 -5.196 -4.906 188 HD22 LEU 49 HD22 LEU 49 2.986 -4.522 -5.699 189 HD23 LEU 49 HD23 LEU 49 3.822 -5.899 -6.414 190 H VAL 50 HN VAL 50 2.739 -7.106 -0.381 191 HA VAL 50 HA VAL 50 4.083 -9.450 -1.380 192 HB VAL 50 HB VAL 50 4.092 -8.301 1.418 193 HG11 VAL 50 HG11 VAL 50 6.208 -9.545 1.652 194 HG12 VAL 50 HG12 VAL 50 5.940 -10.262 0.063 195 HG13 VAL 50 HG13 VAL 50 4.828 -10.609 1.385 196 HG21 VAL 50 HG21 VAL 50 4.870 -6.698 -0.276 197 HG22 VAL 50 HG22 VAL 50 6.054 -7.875 -0.834 198 HG23 VAL 50 HG23 VAL 50 6.170 -7.213 0.795 199 H MET 51 HN MET 51 1.261 -8.787 0.513 200 HA MET 51 HA MET 51 1.005 -11.147 1.974 201 HB2 MET 51 HB2 MET 51 -0.431 -9.176 2.295 202 HB3 MET 51 HB1 MET 51 -1.187 -9.472 0.734 203 HG2 MET 51 HG2 MET 51 -2.043 -11.609 1.557 204 HG3 MET 51 HG1 MET 51 -1.296 -11.301 3.122 205 HE1 MET 51 HE1 MET 51 -3.643 -11.713 4.314 206 HE2 MET 51 HE2 MET 51 -4.383 -12.017 2.741 207 HE3 MET 51 HE3 MET 51 -5.127 -10.876 3.859 208 H LEU 52 HN LEU 52 -0.129 -10.395 -1.313 209 HA LEU 52 HA LEU 52 -1.229 -13.002 -1.729 210 HB2 LEU 52 HB2 LEU 52 -1.412 -12.255 -4.105 211 HB3 LEU 52 HB1 LEU 52 -2.197 -11.202 -2.943 212 HG LEU 52 HG LEU 52 0.096 -9.892 -3.083 213 HD11 LEU 52 HD11 LEU 52 -0.056 -11.305 -5.741 214 HD12 LEU 52 HD12 LEU 52 1.226 -11.457 -4.540 215 HD13 LEU 52 HD13 LEU 52 0.982 -9.926 -5.376 216 HD21 LEU 52 HD21 LEU 52 -0.898 -8.476 -4.815 217 HD22 LEU 52 HD22 LEU 52 -2.090 -8.968 -3.610 218 HD23 LEU 52 HD23 LEU 52 -2.055 -9.753 -5.190 219 H LYS 53 HN LYS 53 1.892 -11.589 -2.062 220 HA LYS 53 HA LYS 53 2.947 -13.405 -3.982 221 HB2 LYS 53 HB2 LYS 53 4.211 -11.525 -2.000 222 HB3 LYS 53 HB1 LYS 53 5.180 -12.591 -3.006 223 HG2 LYS 53 HG2 LYS 53 3.242 -10.521 -4.024 224 HG3 LYS 53 HG1 LYS 53 4.994 -10.335 -3.943 225 HD2 LYS 53 HD2 LYS 53 3.553 -12.459 -5.531 226 HD3 LYS 53 HD1 LYS 53 4.184 -10.954 -6.201 227 HE2 LYS 53 HE2 LYS 53 6.442 -11.597 -5.558 228 HE3 LYS 53 HE1 LYS 53 5.827 -13.075 -4.819 229 HZ1 LYS 53 HZ1 LYS 53 5.065 -13.799 -6.997 230 HZ2 LYS 53 HZ2 LYS 53 6.730 -13.497 -7.015 231 HZ3 LYS 53 HZ3 LYS 53 5.659 -12.381 -7.703 232 H LYS 54 HN LYS 54 2.142 -13.730 -0.707 233 HA LYS 54 HA LYS 54 4.040 -15.401 0.365 234 HB2 LYS 54 HB2 LYS 54 2.038 -14.562 1.563 235 HB3 LYS 54 HB1 LYS 54 1.046 -15.703 0.666 236 HG2 LYS 54 HG2 LYS 54 2.228 -17.565 1.681 237 HG3 LYS 54 HG1 LYS 54 3.285 -16.443 2.542 238 HD2 LYS 54 HD2 LYS 54 1.301 -15.512 3.687 239 HD3 LYS 54 HD1 LYS 54 0.298 -16.718 2.878 240 HE2 LYS 54 HE2 LYS 54 1.558 -18.503 3.961 241 HE3 LYS 54 HE1 LYS 54 2.589 -17.308 4.749 242 HZ1 LYS 54 HZ1 LYS 54 0.856 -18.112 6.230 243 HZ2 LYS 54 HZ2 LYS 54 -0.339 -17.586 5.155 244 HZ3 LYS 54 HZ3 LYS 54 0.662 -16.459 5.922 245 H LYS 55 HN LYS 55 1.735 -16.064 -2.141 246 HA LYS 55 HA LYS 55 1.347 -17.863 -3.477 247 HB2 LYS 55 HB2 LYS 55 3.858 -17.460 -3.755 248 HB3 LYS 55 HB1 LYS 55 4.085 -18.835 -2.686 249 HG2 LYS 55 HG2 LYS 55 4.278 -19.660 -4.881 250 HG3 LYS 55 HG1 LYS 55 2.693 -20.176 -4.301 251 HD2 LYS 55 HD2 LYS 55 2.190 -19.398 -6.417 252 HD3 LYS 55 HD1 LYS 55 1.871 -17.971 -5.427 253 HE2 LYS 55 HE2 LYS 55 4.446 -18.512 -6.904 254 HE3 LYS 55 HE1 LYS 55 3.150 -17.467 -7.486 255 HZ1 LYS 55 HZ1 LYS 55 3.461 -16.109 -5.465 256 HZ2 LYS 55 HZ2 LYS 55 4.832 -16.137 -6.456 257 HZ3 LYS 55 HZ3 LYS 55 4.792 -17.068 -5.045 Start of MODEL 8 1 H1 SER 26 HT1 SER 26 -10.064 25.660 0.370 2 H2 SER 26 HT2 SER 26 -10.241 26.875 -0.793 3 H3 SER 26 HT3 SER 26 -8.748 26.105 -0.598 4 HA SER 26 HA SER 26 -9.646 24.033 -1.367 5 HB2 SER 26 HB2 SER 26 -12.215 25.606 -1.707 6 HB3 SER 26 HB1 SER 26 -11.954 23.951 -2.254 7 HG SER 26 HG SER 26 -11.434 24.537 0.424 8 H ASN 27 HN ASN 27 -7.948 25.861 -2.391 9 HA ASN 27 HA ASN 27 -8.717 25.894 -5.217 10 HB2 ASN 27 HB2 ASN 27 -9.136 28.160 -4.400 11 HB3 ASN 27 HB1 ASN 27 -7.505 28.244 -3.745 12 HD21 ASN 27 HD21 ASN 27 -6.953 30.016 -4.978 13 HD22 ASN 27 HD22 ASN 27 -6.691 29.919 -6.683 14 H LYS 28 HN LYS 28 -5.952 26.995 -3.253 15 HA LYS 28 HA LYS 28 -4.233 25.233 -4.873 16 HB2 LYS 28 HB2 LYS 28 -2.422 26.880 -4.525 17 HB3 LYS 28 HB1 LYS 28 -3.785 27.551 -5.409 18 HG2 LYS 28 HG2 LYS 28 -3.423 29.259 -3.967 19 HG3 LYS 28 HG1 LYS 28 -4.518 28.297 -2.974 20 HD2 LYS 28 HD2 LYS 28 -2.597 27.278 -1.847 21 HD3 LYS 28 HD1 LYS 28 -1.501 28.237 -2.846 22 HE2 LYS 28 HE2 LYS 28 -1.756 29.259 -0.663 23 HE3 LYS 28 HE1 LYS 28 -2.468 30.290 -1.905 24 HZ1 LYS 28 HZ1 LYS 28 -3.890 30.135 0.039 25 HZ2 LYS 28 HZ2 LYS 28 -3.966 28.452 -0.112 26 HZ3 LYS 28 HZ3 LYS 28 -4.650 29.440 -1.304 27 H GLY 29 HN GLY 29 -5.232 26.201 -1.733 28 HA2 GLY 29 HA2 GLY 29 -2.967 25.058 -0.352 29 HA3 GLY 29 HA1 GLY 29 -4.428 25.694 0.386 30 H ALA 30 HN ALA 30 -6.012 23.922 -1.519 31 HA ALA 30 HA ALA 30 -6.380 21.770 0.285 32 HB1 ALA 30 HB1 ALA 30 -8.189 22.680 -1.091 33 HB2 ALA 30 HB2 ALA 30 -8.006 20.940 -1.316 34 HB3 ALA 30 HB3 ALA 30 -7.397 22.057 -2.538 35 H ILE 31 HN ILE 31 -4.740 22.020 -2.846 36 HA ILE 31 HA ILE 31 -4.270 19.268 -3.210 37 HB ILE 31 HB ILE 31 -4.031 20.977 -4.999 38 HG12 ILE 31 HG12 ILE 31 -1.527 19.332 -4.568 39 HG13 ILE 31 HG11 ILE 31 -3.051 18.686 -5.170 40 HG21 ILE 31 HG21 ILE 31 -2.861 22.684 -3.725 41 HG22 ILE 31 HG22 ILE 31 -1.943 22.245 -5.165 42 HG23 ILE 31 HG23 ILE 31 -1.452 21.636 -3.585 43 HD11 ILE 31 HD11 ILE 31 -1.499 19.086 -6.982 44 HD12 ILE 31 HD12 ILE 31 -1.358 20.780 -6.514 45 HD13 ILE 31 HD13 ILE 31 -2.893 20.157 -7.116 46 H ILE 32 HN ILE 32 -2.808 21.568 -1.114 47 HA ILE 32 HA ILE 32 -0.235 20.543 -0.811 48 HB ILE 32 HB ILE 32 -1.984 21.771 1.326 49 HG12 ILE 32 HG12 ILE 32 0.055 23.045 -0.516 50 HG13 ILE 32 HG11 ILE 32 -1.692 23.191 -0.678 51 HG21 ILE 32 HG21 ILE 32 -0.071 20.577 2.267 52 HG22 ILE 32 HG22 ILE 32 0.112 22.319 2.457 53 HG23 ILE 32 HG23 ILE 32 1.016 21.470 1.202 54 HD11 ILE 32 HD11 ILE 32 -0.039 24.189 1.631 55 HD12 ILE 32 HD12 ILE 32 -1.791 24.329 1.481 56 HD13 ILE 32 HD13 ILE 32 -0.739 25.171 0.344 57 H GLY 33 HN GLY 33 -3.292 19.308 0.289 58 HA2 GLY 33 HA2 GLY 33 -2.142 17.512 2.241 59 HA3 GLY 33 HA1 GLY 33 -3.822 17.557 1.723 60 H LEU 34 HN LEU 34 -2.926 17.418 -1.134 61 HA LEU 34 HA LEU 34 -2.921 14.546 -1.326 62 HB2 LEU 34 HB2 LEU 34 -2.751 16.654 -3.482 63 HB3 LEU 34 HB1 LEU 34 -3.030 14.942 -3.747 64 HG LEU 34 HG LEU 34 -4.907 16.568 -2.059 65 HD11 LEU 34 HD11 LEU 34 -4.750 17.737 -4.173 66 HD12 LEU 34 HD12 LEU 34 -6.293 16.887 -4.060 67 HD13 LEU 34 HD13 LEU 34 -4.993 16.227 -5.052 68 HD21 LEU 34 HD21 LEU 34 -6.495 14.834 -2.730 69 HD22 LEU 34 HD22 LEU 34 -5.081 14.138 -1.939 70 HD23 LEU 34 HD23 LEU 34 -5.240 14.054 -3.693 71 H MET 35 HN MET 35 -0.546 16.824 -0.914 72 HA MET 35 HA MET 35 1.499 15.984 -2.647 73 HB2 MET 35 HB2 MET 35 1.642 18.077 -1.417 74 HB3 MET 35 HB1 MET 35 1.663 17.210 0.112 75 HG2 MET 35 HG2 MET 35 3.881 17.964 -0.456 76 HG3 MET 35 HG1 MET 35 3.808 16.205 -0.492 77 HE1 MET 35 HE1 MET 35 2.499 18.782 -3.192 78 HE2 MET 35 HE2 MET 35 3.913 18.895 -4.238 79 HE3 MET 35 HE3 MET 35 3.992 19.494 -2.580 80 H VAL 36 HN VAL 36 1.039 15.186 0.799 81 HA VAL 36 HA VAL 36 2.949 13.032 0.650 82 HB VAL 36 HB VAL 36 2.389 12.631 3.008 83 HG11 VAL 36 HG11 VAL 36 4.060 14.317 2.443 84 HG12 VAL 36 HG12 VAL 36 3.169 14.773 3.895 85 HG13 VAL 36 HG13 VAL 36 2.801 15.548 2.354 86 HG21 VAL 36 HG21 VAL 36 0.010 13.124 2.936 87 HG22 VAL 36 HG22 VAL 36 0.352 14.823 2.611 88 HG23 VAL 36 HG23 VAL 36 0.802 14.112 4.161 89 H GLY 37 HN GLY 37 -0.418 13.390 0.159 90 HA2 GLY 37 HA2 GLY 37 -1.385 10.881 0.954 91 HA3 GLY 37 HA1 GLY 37 -2.092 11.885 -0.303 92 H GLY 38 HN GLY 38 0.764 11.656 -1.570 93 HA2 GLY 38 HA2 GLY 38 0.059 9.309 -3.157 94 HA3 GLY 38 HA1 GLY 38 1.258 10.523 -3.572 95 H VAL 39 HN VAL 39 2.496 10.347 -0.876 96 HA VAL 39 HA VAL 39 4.237 8.113 -1.479 97 HB VAL 39 HB VAL 39 5.694 8.957 0.249 98 HG11 VAL 39 HG11 VAL 39 4.558 11.222 -1.386 99 HG12 VAL 39 HG12 VAL 39 5.772 10.062 -1.927 100 HG13 VAL 39 HG13 VAL 39 6.151 11.191 -0.626 101 HG21 VAL 39 HG21 VAL 39 3.553 10.981 0.896 102 HG22 VAL 39 HG22 VAL 39 5.136 10.836 1.658 103 HG23 VAL 39 HG23 VAL 39 3.933 9.564 1.876 104 H VAL 40 HN VAL 40 1.747 8.925 0.820 105 HA VAL 40 HA VAL 40 2.368 6.907 2.733 106 HB VAL 40 HB VAL 40 -0.245 8.335 2.214 107 HG11 VAL 40 HG11 VAL 40 -0.653 6.275 3.408 108 HG12 VAL 40 HG12 VAL 40 -0.829 7.640 4.510 109 HG13 VAL 40 HG13 VAL 40 0.630 6.652 4.558 110 HG21 VAL 40 HG21 VAL 40 1.905 8.865 4.262 111 HG22 VAL 40 HG22 VAL 40 0.387 9.744 4.098 112 HG23 VAL 40 HG23 VAL 40 1.598 9.833 2.821 113 H ILE 41 HN ILE 41 0.025 7.108 0.069 114 HA ILE 41 HA ILE 41 -1.064 4.526 0.455 115 HB ILE 41 HB ILE 41 -0.998 6.205 -2.054 116 HG12 ILE 41 HG12 ILE 41 -2.088 7.337 -0.163 117 HG13 ILE 41 HG11 ILE 41 -3.257 6.901 -1.405 118 HG21 ILE 41 HG21 ILE 41 -2.935 4.849 -2.752 119 HG22 ILE 41 HG22 ILE 41 -2.701 3.822 -1.337 120 HG23 ILE 41 HG23 ILE 41 -1.461 3.895 -2.589 121 HD11 ILE 41 HD11 ILE 41 -4.143 6.487 0.811 122 HD12 ILE 41 HD12 ILE 41 -2.782 5.425 1.175 123 HD13 ILE 41 HD13 ILE 41 -3.944 4.971 -0.070 124 H ALA 42 HN ALA 42 1.672 5.738 -1.374 125 HA ALA 42 HA ALA 42 2.109 3.374 -2.898 126 HB1 ALA 42 HB1 ALA 42 4.050 5.575 -2.200 127 HB2 ALA 42 HB2 ALA 42 2.969 5.558 -3.592 128 HB3 ALA 42 HB3 ALA 42 4.260 4.365 -3.465 129 H THR 43 HN THR 43 2.881 4.311 0.332 130 HA THR 43 HA THR 43 4.991 2.355 0.651 131 HB THR 43 HB THR 43 3.601 4.054 2.735 132 HG1 THR 43 HG1 THR 43 5.021 5.560 2.235 133 HG21 THR 43 HG21 THR 43 6.161 2.454 2.876 134 HG22 THR 43 HG22 THR 43 4.654 2.077 3.711 135 HG23 THR 43 HG23 THR 43 5.557 3.534 4.132 136 H VAL 44 HN VAL 44 1.565 2.634 1.332 137 HA VAL 44 HA VAL 44 1.508 0.246 2.959 138 HB VAL 44 HB VAL 44 -0.050 2.114 3.394 139 HG11 VAL 44 HG11 VAL 44 -1.296 1.313 0.766 140 HG12 VAL 44 HG12 VAL 44 -0.444 2.822 1.098 141 HG13 VAL 44 HG13 VAL 44 -1.966 2.473 1.915 142 HG21 VAL 44 HG21 VAL 44 -2.063 0.755 3.692 143 HG22 VAL 44 HG22 VAL 44 -0.608 -0.133 4.151 144 HG23 VAL 44 HG23 VAL 44 -1.398 -0.467 2.609 145 H THR 45 HN THR 45 1.094 1.073 -0.382 146 HA THR 45 HA THR 45 -0.459 -1.122 -1.217 147 HB THR 45 HB THR 45 1.589 0.471 -2.773 148 HG1 THR 45 HG1 THR 45 -0.591 1.276 -3.618 149 HG21 THR 45 HG21 THR 45 1.179 -1.662 -3.868 150 HG22 THR 45 HG22 THR 45 0.406 -0.361 -4.773 151 HG23 THR 45 HG23 THR 45 -0.563 -1.416 -3.744 152 H VAL 46 HN VAL 46 3.063 -0.681 -1.042 153 HA VAL 46 HA VAL 46 3.724 -3.200 -2.142 154 HB VAL 46 HB VAL 46 5.338 -1.360 -2.050 155 HG11 VAL 46 HG11 VAL 46 4.741 -0.408 0.101 156 HG12 VAL 46 HG12 VAL 46 6.461 -0.800 0.062 157 HG13 VAL 46 HG13 VAL 46 5.337 -1.848 0.927 158 HG21 VAL 46 HG21 VAL 46 7.289 -2.654 -1.330 159 HG22 VAL 46 HG22 VAL 46 6.164 -3.640 -2.264 160 HG23 VAL 46 HG23 VAL 46 6.226 -3.797 -0.509 161 H ILE 47 HN ILE 47 2.956 -2.144 1.105 162 HA ILE 47 HA ILE 47 3.886 -4.523 2.398 163 HB ILE 47 HB ILE 47 1.955 -2.423 3.397 164 HG12 ILE 47 HG12 ILE 47 4.166 -1.503 2.835 165 HG13 ILE 47 HG11 ILE 47 3.890 -1.485 4.571 166 HG21 ILE 47 HG21 ILE 47 1.718 -4.480 4.645 167 HG22 ILE 47 HG22 ILE 47 2.536 -3.272 5.636 168 HG23 ILE 47 HG23 ILE 47 3.464 -4.570 4.882 169 HD11 ILE 47 HD11 ILE 47 6.158 -2.154 4.059 170 HD12 ILE 47 HD12 ILE 47 5.560 -3.483 3.065 171 HD13 ILE 47 HD13 ILE 47 5.274 -3.488 4.805 172 H THR 48 HN THR 48 0.871 -3.451 0.984 173 HA THR 48 HA THR 48 -0.648 -5.659 2.068 174 HB THR 48 HB THR 48 -1.455 -3.703 -0.093 175 HG1 THR 48 HG1 THR 48 -1.033 -3.283 2.505 176 HG21 THR 48 HG21 THR 48 -3.107 -5.476 1.710 177 HG22 THR 48 HG22 THR 48 -2.830 -5.728 -0.012 178 HG23 THR 48 HG23 THR 48 -3.739 -4.322 0.538 179 H LEU 49 HN LEU 49 1.174 -4.947 -0.788 180 HA LEU 49 HA LEU 49 -0.006 -6.989 -2.424 181 HB2 LEU 49 HB2 LEU 49 1.034 -5.015 -3.423 182 HB3 LEU 49 HB1 LEU 49 2.580 -5.459 -2.726 183 HG LEU 49 HG LEU 49 2.541 -7.538 -4.115 184 HD11 LEU 49 HD11 LEU 49 0.993 -7.646 -6.000 185 HD12 LEU 49 HD12 LEU 49 0.169 -6.202 -5.410 186 HD13 LEU 49 HD13 LEU 49 0.133 -7.690 -4.461 187 HD21 LEU 49 HD21 LEU 49 2.377 -4.925 -5.610 188 HD22 LEU 49 HD22 LEU 49 3.122 -6.408 -6.203 189 HD23 LEU 49 HD23 LEU 49 3.805 -5.573 -4.807 190 H VAL 50 HN VAL 50 2.873 -6.695 -0.405 191 HA VAL 50 HA VAL 50 3.980 -9.218 -1.120 192 HB VAL 50 HB VAL 50 5.322 -7.376 -0.148 193 HG11 VAL 50 HG11 VAL 50 5.260 -6.959 2.256 194 HG12 VAL 50 HG12 VAL 50 3.903 -8.074 2.417 195 HG13 VAL 50 HG13 VAL 50 3.713 -6.580 1.501 196 HG21 VAL 50 HG21 VAL 50 6.172 -9.657 -0.099 197 HG22 VAL 50 HG22 VAL 50 5.364 -9.937 1.444 198 HG23 VAL 50 HG23 VAL 50 6.683 -8.769 1.336 199 H MET 51 HN MET 51 1.463 -8.231 0.973 200 HA MET 51 HA MET 51 1.521 -10.236 2.926 201 HB2 MET 51 HB2 MET 51 0.087 -8.231 3.049 202 HB3 MET 51 HB1 MET 51 -0.894 -8.859 1.731 203 HG2 MET 51 HG2 MET 51 -1.421 -10.830 3.162 204 HG3 MET 51 HG1 MET 51 -0.587 -10.022 4.487 205 HE1 MET 51 HE1 MET 51 -1.394 -6.969 3.900 206 HE2 MET 51 HE2 MET 51 -1.392 -7.676 5.516 207 HE3 MET 51 HE3 MET 51 -2.812 -6.803 4.936 208 H LEU 52 HN LEU 52 -0.360 -10.117 -0.102 209 HA LEU 52 HA LEU 52 -1.282 -12.801 0.157 210 HB2 LEU 52 HB2 LEU 52 -2.050 -12.484 -2.202 211 HB3 LEU 52 HB1 LEU 52 -2.643 -11.291 -1.062 212 HG LEU 52 HG LEU 52 -0.600 -9.880 -1.919 213 HD11 LEU 52 HD11 LEU 52 -1.081 -11.778 -4.212 214 HD12 LEU 52 HD12 LEU 52 0.408 -11.607 -3.283 215 HD13 LEU 52 HD13 LEU 52 -0.150 -10.283 -4.303 216 HD21 LEU 52 HD21 LEU 52 -2.047 -8.901 -3.636 217 HD22 LEU 52 HD22 LEU 52 -2.934 -9.240 -2.149 218 HD23 LEU 52 HD23 LEU 52 -3.105 -10.309 -3.541 219 H LYS 53 HN LYS 53 1.599 -11.381 -1.041 220 HA LYS 53 HA LYS 53 2.291 -13.611 -2.752 221 HB2 LYS 53 HB2 LYS 53 3.010 -11.327 -3.325 222 HB3 LYS 53 HB1 LYS 53 3.951 -11.250 -1.843 223 HG2 LYS 53 HG2 LYS 53 5.393 -13.032 -2.630 224 HG3 LYS 53 HG1 LYS 53 4.421 -13.197 -4.093 225 HD2 LYS 53 HD2 LYS 53 5.856 -10.663 -3.300 226 HD3 LYS 53 HD1 LYS 53 6.534 -11.882 -4.384 227 HE2 LYS 53 HE2 LYS 53 4.614 -11.574 -5.893 228 HE3 LYS 53 HE1 LYS 53 3.990 -10.320 -4.823 229 HZ1 LYS 53 HZ1 LYS 53 5.196 -9.379 -6.693 230 HZ2 LYS 53 HZ2 LYS 53 6.591 -10.228 -6.251 231 HZ3 LYS 53 HZ3 LYS 53 5.981 -9.020 -5.236 232 H LYS 54 HN LYS 54 2.670 -12.713 0.541 233 HA LYS 54 HA LYS 54 5.015 -14.102 1.208 234 HB2 LYS 54 HB2 LYS 54 3.891 -12.482 2.697 235 HB3 LYS 54 HB1 LYS 54 2.571 -13.618 2.924 236 HG2 LYS 54 HG2 LYS 54 4.020 -13.712 4.827 237 HG3 LYS 54 HG1 LYS 54 4.173 -15.217 3.922 238 HD2 LYS 54 HD2 LYS 54 6.228 -14.370 2.880 239 HD3 LYS 54 HD1 LYS 54 6.073 -12.876 3.804 240 HE2 LYS 54 HE2 LYS 54 6.259 -14.146 5.886 241 HE3 LYS 54 HE1 LYS 54 6.412 -15.640 4.963 242 HZ1 LYS 54 HZ1 LYS 54 8.456 -14.818 4.005 243 HZ2 LYS 54 HZ2 LYS 54 8.562 -14.788 5.693 244 HZ3 LYS 54 HZ3 LYS 54 8.302 -13.353 4.837 245 H LYS 55 HN LYS 55 1.858 -15.205 0.421 246 HA LYS 55 HA LYS 55 1.747 -17.651 1.756 247 HB2 LYS 55 HB2 LYS 55 0.670 -17.015 -0.997 248 HB3 LYS 55 HB1 LYS 55 0.129 -18.314 0.058 249 HG2 LYS 55 HG2 LYS 55 -0.679 -16.687 1.673 250 HG3 LYS 55 HG1 LYS 55 -0.098 -15.371 0.651 251 HD2 LYS 55 HD2 LYS 55 -1.617 -16.112 -1.135 252 HD3 LYS 55 HD1 LYS 55 -2.220 -17.389 -0.077 253 HE2 LYS 55 HE2 LYS 55 -2.431 -14.416 0.378 254 HE3 LYS 55 HE1 LYS 55 -3.745 -15.513 -0.046 255 HZ1 LYS 55 HZ1 LYS 55 -3.729 -15.001 2.318 256 HZ2 LYS 55 HZ2 LYS 55 -2.160 -15.616 2.464 257 HZ3 LYS 55 HZ3 LYS 55 -3.437 -16.648 2.059 Start of MODEL 9 1 H1 SER 26 HT1 SER 26 -0.635 32.232 -3.385 2 H2 SER 26 HT2 SER 26 0.941 31.614 -3.393 3 H3 SER 26 HT3 SER 26 0.621 33.103 -2.656 4 HA SER 26 HA SER 26 0.915 31.353 -1.020 5 HB2 SER 26 HB2 SER 26 -1.916 32.413 -1.235 6 HB3 SER 26 HB1 SER 26 -1.180 31.762 0.230 7 HG SER 26 HG SER 26 -0.020 33.534 0.459 8 H ASN 27 HN ASN 27 -0.585 30.371 -3.766 9 HA ASN 27 HA ASN 27 -1.991 28.098 -2.617 10 HB2 ASN 27 HB2 ASN 27 -1.589 28.926 -5.501 11 HB3 ASN 27 HB1 ASN 27 -2.597 27.586 -4.960 12 HD21 ASN 27 HD21 ASN 27 -3.295 30.007 -6.442 13 HD22 ASN 27 HD22 ASN 27 -4.523 30.793 -5.516 14 H LYS 28 HN LYS 28 1.017 28.506 -2.558 15 HA LYS 28 HA LYS 28 1.768 25.966 -3.849 16 HB2 LYS 28 HB2 LYS 28 3.555 28.313 -3.189 17 HB3 LYS 28 HB1 LYS 28 4.061 26.819 -3.967 18 HG2 LYS 28 HG2 LYS 28 2.603 27.326 -5.871 19 HG3 LYS 28 HG1 LYS 28 2.132 28.839 -5.093 20 HD2 LYS 28 HD2 LYS 28 4.484 29.566 -5.131 21 HD3 LYS 28 HD1 LYS 28 4.918 28.069 -5.959 22 HE2 LYS 28 HE2 LYS 28 3.050 30.201 -6.992 23 HE3 LYS 28 HE1 LYS 28 4.700 29.908 -7.542 24 HZ1 LYS 28 HZ1 LYS 28 2.428 28.007 -7.778 25 HZ2 LYS 28 HZ2 LYS 28 4.011 27.712 -8.295 26 HZ3 LYS 28 HZ3 LYS 28 3.091 28.922 -9.039 27 H GLY 29 HN GLY 29 1.665 27.799 -0.920 28 HA2 GLY 29 HA2 GLY 29 3.460 26.064 0.533 29 HA3 GLY 29 HA1 GLY 29 2.495 27.369 1.206 30 H ALA 30 HN ALA 30 0.078 26.142 -0.168 31 HA ALA 30 HA ALA 30 -0.668 24.458 2.058 32 HB1 ALA 30 HB1 ALA 30 -2.221 26.139 1.195 33 HB2 ALA 30 HB2 ALA 30 -2.903 24.515 1.100 34 HB3 ALA 30 HB3 ALA 30 -2.274 25.294 -0.352 35 H ILE 31 HN ILE 31 -0.059 24.076 -1.398 36 HA ILE 31 HA ILE 31 -1.023 21.445 -1.659 37 HB ILE 31 HB ILE 31 -0.517 22.903 -3.587 38 HG12 ILE 31 HG12 ILE 31 1.098 20.348 -3.672 39 HG13 ILE 31 HG11 ILE 31 -0.659 20.399 -3.767 40 HG21 ILE 31 HG21 ILE 31 2.359 22.356 -2.864 41 HG22 ILE 31 HG22 ILE 31 1.537 23.914 -2.809 42 HG23 ILE 31 HG23 ILE 31 1.814 23.118 -4.357 43 HD11 ILE 31 HD11 ILE 31 -0.504 21.721 -5.814 44 HD12 ILE 31 HD12 ILE 31 0.329 20.175 -5.966 45 HD13 ILE 31 HD13 ILE 31 1.255 21.656 -5.719 46 H ILE 32 HN ILE 32 1.821 22.690 -0.186 47 HA ILE 32 HA ILE 32 3.587 20.537 -0.460 48 HB ILE 32 HB ILE 32 3.307 22.416 1.892 49 HG12 ILE 32 HG12 ILE 32 5.121 22.587 -0.524 50 HG13 ILE 32 HG11 ILE 32 3.649 23.528 -0.310 51 HG21 ILE 32 HG21 ILE 32 4.614 20.448 2.465 52 HG22 ILE 32 HG22 ILE 32 5.659 21.864 2.340 53 HG23 ILE 32 HG23 ILE 32 5.621 20.679 1.036 54 HD11 ILE 32 HD11 ILE 32 5.653 24.814 0.223 55 HD12 ILE 32 HD12 ILE 32 6.069 23.645 1.476 56 HD13 ILE 32 HD13 ILE 32 4.607 24.622 1.629 57 H GLY 33 HN GLY 33 0.733 20.903 1.469 58 HA2 GLY 33 HA2 GLY 33 1.383 18.760 3.298 59 HA3 GLY 33 HA1 GLY 33 -0.151 19.612 3.187 60 H LEU 34 HN LEU 34 -0.040 19.023 0.186 61 HA LEU 34 HA LEU 34 -1.453 16.496 0.373 62 HB2 LEU 34 HB2 LEU 34 -1.013 18.337 -1.979 63 HB3 LEU 34 HB1 LEU 34 -2.066 16.936 -1.969 64 HG LEU 34 HG LEU 34 -2.486 19.203 -0.043 65 HD11 LEU 34 HD11 LEU 34 -4.129 20.112 -1.642 66 HD12 LEU 34 HD12 LEU 34 -3.543 18.973 -2.856 67 HD13 LEU 34 HD13 LEU 34 -2.471 20.224 -2.227 68 HD21 LEU 34 HD21 LEU 34 -4.324 17.123 -1.223 69 HD22 LEU 34 HD22 LEU 34 -4.782 18.368 -0.063 70 HD23 LEU 34 HD23 LEU 34 -3.646 17.105 0.405 71 H MET 35 HN MET 35 1.694 17.275 0.074 72 HA MET 35 HA MET 35 2.415 15.460 -2.057 73 HB2 MET 35 HB2 MET 35 3.734 17.488 -1.684 74 HB3 MET 35 HB1 MET 35 4.135 16.944 -0.062 75 HG2 MET 35 HG2 MET 35 5.970 16.593 -1.631 76 HG3 MET 35 HG1 MET 35 5.377 15.074 -0.958 77 HE1 MET 35 HE1 MET 35 4.421 16.547 -5.230 78 HE2 MET 35 HE2 MET 35 5.430 17.433 -4.086 79 HE3 MET 35 HE3 MET 35 3.700 17.261 -3.786 80 H VAL 36 HN VAL 36 2.324 15.453 1.452 81 HA VAL 36 HA VAL 36 3.806 13.039 1.783 82 HB VAL 36 HB VAL 36 3.017 13.055 4.085 83 HG11 VAL 36 HG11 VAL 36 4.863 14.532 3.494 84 HG12 VAL 36 HG12 VAL 36 3.871 15.246 4.767 85 HG13 VAL 36 HG13 VAL 36 3.722 15.820 3.105 86 HG21 VAL 36 HG21 VAL 36 1.456 14.794 4.868 87 HG22 VAL 36 HG22 VAL 36 0.702 13.683 3.723 88 HG23 VAL 36 HG23 VAL 36 1.197 15.292 3.195 89 H GLY 37 HN GLY 37 0.588 13.733 0.849 90 HA2 GLY 37 HA2 GLY 37 -0.592 11.282 1.777 91 HA3 GLY 37 HA1 GLY 37 -1.314 12.432 0.665 92 H GLY 38 HN GLY 38 1.395 12.090 -0.867 93 HA2 GLY 38 HA2 GLY 38 0.362 9.965 -2.573 94 HA3 GLY 38 HA1 GLY 38 1.664 11.078 -2.966 95 H VAL 39 HN VAL 39 2.944 10.480 -0.307 96 HA VAL 39 HA VAL 39 4.456 8.186 -1.233 97 HB VAL 39 HB VAL 39 5.976 8.670 0.628 98 HG11 VAL 39 HG11 VAL 39 5.210 11.112 -0.968 99 HG12 VAL 39 HG12 VAL 39 6.299 9.825 -1.488 100 HG13 VAL 39 HG13 VAL 39 6.748 10.866 -0.139 101 HG21 VAL 39 HG21 VAL 39 5.622 10.622 2.054 102 HG22 VAL 39 HG22 VAL 39 4.329 9.441 2.260 103 HG23 VAL 39 HG23 VAL 39 4.051 10.893 1.299 104 H VAL 40 HN VAL 40 2.091 8.932 1.208 105 HA VAL 40 HA VAL 40 2.589 6.664 2.864 106 HB VAL 40 HB VAL 40 0.325 7.156 3.816 107 HG11 VAL 40 HG11 VAL 40 2.323 8.147 4.772 108 HG12 VAL 40 HG12 VAL 40 0.987 9.298 4.825 109 HG13 VAL 40 HG13 VAL 40 2.250 9.468 3.607 110 HG21 VAL 40 HG21 VAL 40 -0.781 9.241 3.129 111 HG22 VAL 40 HG22 VAL 40 -0.739 8.057 1.825 112 HG23 VAL 40 HG23 VAL 40 0.385 9.416 1.818 113 H ILE 41 HN ILE 41 0.305 7.341 0.241 114 HA ILE 41 HA ILE 41 -1.102 4.887 0.448 115 HB ILE 41 HB ILE 41 -0.812 6.664 -1.980 116 HG12 ILE 41 HG12 ILE 41 -2.960 6.672 0.153 117 HG13 ILE 41 HG11 ILE 41 -1.649 7.842 0.054 118 HG21 ILE 41 HG21 ILE 41 -2.940 5.666 -2.678 119 HG22 ILE 41 HG22 ILE 41 -2.903 4.610 -1.266 120 HG23 ILE 41 HG23 ILE 41 -1.670 4.453 -2.519 121 HD11 ILE 41 HD11 ILE 41 -3.690 8.757 -0.859 122 HD12 ILE 41 HD12 ILE 41 -3.806 7.417 -2.001 123 HD13 ILE 41 HD13 ILE 41 -2.479 8.574 -2.128 124 H ALA 42 HN ALA 42 1.903 5.789 -1.002 125 HA ALA 42 HA ALA 42 2.035 3.485 -2.746 126 HB1 ALA 42 HB1 ALA 42 4.255 4.302 -3.325 127 HB2 ALA 42 HB2 ALA 42 4.164 5.499 -2.033 128 HB3 ALA 42 HB3 ALA 42 3.067 5.601 -3.411 129 H THR 43 HN THR 43 2.939 4.290 0.488 130 HA THR 43 HA THR 43 4.907 2.200 0.756 131 HB THR 43 HB THR 43 3.554 3.831 2.916 132 HG1 THR 43 HG1 THR 43 4.875 5.371 2.332 133 HG21 THR 43 HG21 THR 43 5.483 3.195 4.288 134 HG22 THR 43 HG22 THR 43 6.094 2.197 2.968 135 HG23 THR 43 HG23 THR 43 4.579 1.776 3.762 136 H VAL 44 HN VAL 44 1.486 2.568 1.275 137 HA VAL 44 HA VAL 44 1.247 0.168 2.871 138 HB VAL 44 HB VAL 44 -0.279 2.084 3.207 139 HG11 VAL 44 HG11 VAL 44 -0.494 2.823 0.905 140 HG12 VAL 44 HG12 VAL 44 -2.083 2.493 1.598 141 HG13 VAL 44 HG13 VAL 44 -1.349 1.338 0.487 142 HG21 VAL 44 HG21 VAL 44 -1.644 -0.456 2.318 143 HG22 VAL 44 HG22 VAL 44 -2.349 0.784 3.355 144 HG23 VAL 44 HG23 VAL 44 -0.960 -0.144 3.914 145 H THR 45 HN THR 45 1.220 0.993 -0.468 146 HA THR 45 HA THR 45 -0.360 -1.172 -1.421 147 HB THR 45 HB THR 45 1.737 0.455 -2.874 148 HG1 THR 45 HG1 THR 45 -0.160 1.573 -3.642 149 HG21 THR 45 HG21 THR 45 -0.470 -1.307 -3.951 150 HG22 THR 45 HG22 THR 45 1.258 -1.656 -4.018 151 HG23 THR 45 HG23 THR 45 0.601 -0.289 -4.917 152 H VAL 46 HN VAL 46 3.127 -0.694 -0.994 153 HA VAL 46 HA VAL 46 3.903 -3.149 -2.179 154 HB VAL 46 HB VAL 46 5.479 -1.297 -1.898 155 HG11 VAL 46 HG11 VAL 46 5.283 -1.906 1.048 156 HG12 VAL 46 HG12 VAL 46 4.715 -0.444 0.242 157 HG13 VAL 46 HG13 VAL 46 6.442 -0.804 0.304 158 HG21 VAL 46 HG21 VAL 46 6.367 -3.548 -2.148 159 HG22 VAL 46 HG22 VAL 46 6.291 -3.789 -0.402 160 HG23 VAL 46 HG23 VAL 46 7.397 -2.595 -1.082 161 H ILE 47 HN ILE 47 2.887 -2.262 1.048 162 HA ILE 47 HA ILE 47 3.781 -4.698 2.276 163 HB ILE 47 HB ILE 47 1.796 -2.668 3.305 164 HG12 ILE 47 HG12 ILE 47 3.985 -1.656 2.854 165 HG13 ILE 47 HG11 ILE 47 3.686 -1.755 4.584 166 HG21 ILE 47 HG21 ILE 47 3.323 -4.837 4.735 167 HG22 ILE 47 HG22 ILE 47 1.585 -4.792 4.445 168 HG23 ILE 47 HG23 ILE 47 2.332 -3.605 5.514 169 HD11 ILE 47 HD11 ILE 47 5.120 -3.730 4.712 170 HD12 ILE 47 HD12 ILE 47 5.978 -2.333 4.062 171 HD13 ILE 47 HD13 ILE 47 5.427 -3.612 2.979 172 H THR 48 HN THR 48 0.741 -3.483 0.965 173 HA THR 48 HA THR 48 -0.841 -5.678 1.867 174 HB THR 48 HB THR 48 -1.416 -3.724 -0.369 175 HG1 THR 48 HG1 THR 48 -2.539 -3.564 2.207 176 HG21 THR 48 HG21 THR 48 -3.761 -4.317 0.016 177 HG22 THR 48 HG22 THR 48 -3.270 -5.497 1.230 178 HG23 THR 48 HG23 THR 48 -2.822 -5.731 -0.459 179 H LEU 49 HN LEU 49 1.084 -5.035 -0.975 180 HA LEU 49 HA LEU 49 -0.030 -7.180 -2.527 181 HB2 LEU 49 HB2 LEU 49 0.968 -5.172 -3.560 182 HB3 LEU 49 HB1 LEU 49 2.534 -5.638 -2.922 183 HG LEU 49 HG LEU 49 2.392 -7.734 -4.284 184 HD11 LEU 49 HD11 LEU 49 -0.024 -7.828 -4.550 185 HD12 LEU 49 HD12 LEU 49 0.779 -7.802 -6.119 186 HD13 LEU 49 HD13 LEU 49 0.013 -6.340 -5.497 187 HD21 LEU 49 HD21 LEU 49 3.694 -5.828 -5.041 188 HD22 LEU 49 HD22 LEU 49 2.257 -5.119 -5.778 189 HD23 LEU 49 HD23 LEU 49 2.919 -6.628 -6.408 190 H VAL 50 HN VAL 50 2.818 -6.728 -0.495 191 HA VAL 50 HA VAL 50 3.921 -9.310 -1.137 192 HB VAL 50 HB VAL 50 5.326 -7.359 -0.459 193 HG11 VAL 50 HG11 VAL 50 5.516 -6.783 1.896 194 HG12 VAL 50 HG12 VAL 50 4.225 -7.917 2.292 195 HG13 VAL 50 HG13 VAL 50 3.876 -6.493 1.312 196 HG21 VAL 50 HG21 VAL 50 5.574 -9.829 1.257 197 HG22 VAL 50 HG22 VAL 50 6.856 -8.654 0.958 198 HG23 VAL 50 HG23 VAL 50 6.217 -9.620 -0.372 199 H MET 51 HN MET 51 1.599 -8.097 1.072 200 HA MET 51 HA MET 51 1.858 -9.929 3.185 201 HB2 MET 51 HB2 MET 51 0.496 -7.875 3.297 202 HB3 MET 51 HB1 MET 51 -0.649 -8.583 2.165 203 HG2 MET 51 HG2 MET 51 -1.170 -10.335 3.772 204 HG3 MET 51 HG1 MET 51 -0.003 -9.655 4.902 205 HE1 MET 51 HE1 MET 51 -1.634 -6.198 5.765 206 HE2 MET 51 HE2 MET 51 -0.465 -6.524 4.484 207 HE3 MET 51 HE3 MET 51 -0.276 -7.285 6.063 208 H LEU 52 HN LEU 52 -0.154 -10.050 0.254 209 HA LEU 52 HA LEU 52 -1.191 -12.648 0.884 210 HB2 LEU 52 HB2 LEU 52 -2.110 -12.549 -1.438 211 HB3 LEU 52 HB1 LEU 52 -2.588 -11.221 -0.398 212 HG LEU 52 HG LEU 52 -0.590 -9.969 -1.530 213 HD11 LEU 52 HD11 LEU 52 -0.308 -10.660 -3.891 214 HD12 LEU 52 HD12 LEU 52 -1.188 -12.144 -3.527 215 HD13 LEU 52 HD13 LEU 52 0.355 -11.816 -2.739 216 HD21 LEU 52 HD21 LEU 52 -3.175 -10.538 -2.975 217 HD22 LEU 52 HD22 LEU 52 -2.107 -9.167 -3.276 218 HD23 LEU 52 HD23 LEU 52 -2.927 -9.322 -1.722 219 H LYS 53 HN LYS 53 1.662 -11.483 -0.572 220 HA LYS 53 HA LYS 53 2.211 -13.609 -2.353 221 HB2 LYS 53 HB2 LYS 53 3.363 -11.397 -2.381 222 HB3 LYS 53 HB1 LYS 53 4.195 -11.845 -0.899 223 HG2 LYS 53 HG2 LYS 53 5.278 -13.698 -2.052 224 HG3 LYS 53 HG1 LYS 53 4.424 -13.279 -3.537 225 HD2 LYS 53 HD2 LYS 53 5.532 -11.090 -3.547 226 HD3 LYS 53 HD1 LYS 53 6.395 -11.525 -2.071 227 HE2 LYS 53 HE2 LYS 53 6.609 -12.924 -4.736 228 HE3 LYS 53 HE1 LYS 53 7.804 -11.830 -4.041 229 HZ1 LYS 53 HZ1 LYS 53 8.124 -13.379 -2.222 230 HZ2 LYS 53 HZ2 LYS 53 8.398 -14.153 -3.702 231 HZ3 LYS 53 HZ3 LYS 53 6.954 -14.422 -2.861 232 H LYS 54 HN LYS 54 2.174 -13.475 1.044 233 HA LYS 54 HA LYS 54 4.203 -15.212 1.809 234 HB2 LYS 54 HB2 LYS 54 2.880 -15.683 3.790 235 HB3 LYS 54 HB1 LYS 54 2.745 -13.976 3.387 236 HG2 LYS 54 HG2 LYS 54 0.567 -14.379 2.369 237 HG3 LYS 54 HG1 LYS 54 0.701 -16.095 2.758 238 HD2 LYS 54 HD2 LYS 54 0.820 -15.519 5.150 239 HD3 LYS 54 HD1 LYS 54 0.617 -13.816 4.733 240 HE2 LYS 54 HE2 LYS 54 -1.496 -14.816 5.444 241 HE3 LYS 54 HE1 LYS 54 -1.563 -14.301 3.760 242 HZ1 LYS 54 HZ1 LYS 54 -1.116 -17.084 4.702 243 HZ2 LYS 54 HZ2 LYS 54 -1.184 -16.592 3.084 244 HZ3 LYS 54 HZ3 LYS 54 -2.562 -16.479 4.061 245 H LYS 55 HN LYS 55 1.503 -15.786 -0.118 246 HA LYS 55 HA LYS 55 0.642 -18.326 0.290 247 HB2 LYS 55 HB2 LYS 55 -0.139 -16.794 -1.482 248 HB3 LYS 55 HB1 LYS 55 1.340 -17.092 -2.378 249 HG2 LYS 55 HG2 LYS 55 0.701 -19.488 -2.520 250 HG3 LYS 55 HG1 LYS 55 -0.840 -19.070 -1.765 251 HD2 LYS 55 HD2 LYS 55 -1.445 -18.916 -3.966 252 HD3 LYS 55 HD1 LYS 55 -0.884 -17.263 -3.693 253 HE2 LYS 55 HE2 LYS 55 0.798 -19.490 -4.837 254 HE3 LYS 55 HE1 LYS 55 -0.019 -18.251 -5.789 255 HZ1 LYS 55 HZ1 LYS 55 2.091 -17.771 -3.754 256 HZ2 LYS 55 HZ2 LYS 55 1.293 -16.569 -4.637 257 HZ3 LYS 55 HZ3 LYS 55 2.290 -17.679 -5.432 Start of MODEL 10 1 H1 SER 26 HT1 SER 26 -10.975 27.868 3.471 2 H2 SER 26 HT2 SER 26 -11.914 26.886 4.478 3 H3 SER 26 HT3 SER 26 -12.647 28.114 3.573 4 HA SER 26 HA SER 26 -13.052 25.950 2.597 5 HB2 SER 26 HB2 SER 26 -12.910 27.954 1.155 6 HB3 SER 26 HB1 SER 26 -11.179 27.674 0.951 7 HG SER 26 HG SER 26 -12.586 25.445 0.378 8 H ASN 27 HN ASN 27 -11.061 25.241 4.413 9 HA ASN 27 HA ASN 27 -9.423 23.712 4.780 10 HB2 ASN 27 HB2 ASN 27 -10.268 22.766 2.034 11 HB3 ASN 27 HB1 ASN 27 -9.223 21.862 3.125 12 HD21 ASN 27 HD21 ASN 27 -11.816 21.145 2.026 13 HD22 ASN 27 HD22 ASN 27 -12.849 20.853 3.379 14 H LYS 28 HN LYS 28 -7.875 25.472 4.721 15 HA LYS 28 HA LYS 28 -6.156 25.435 2.329 16 HB2 LYS 28 HB2 LYS 28 -7.128 27.646 2.995 17 HB3 LYS 28 HB1 LYS 28 -6.245 27.529 4.510 18 HG2 LYS 28 HG2 LYS 28 -4.132 27.461 3.240 19 HG3 LYS 28 HG1 LYS 28 -5.050 27.664 1.749 20 HD2 LYS 28 HD2 LYS 28 -4.219 29.810 2.386 21 HD3 LYS 28 HD1 LYS 28 -5.956 29.798 2.696 22 HE2 LYS 28 HE2 LYS 28 -5.556 29.390 5.056 23 HE3 LYS 28 HE1 LYS 28 -3.818 29.316 4.767 24 HZ1 LYS 28 HZ1 LYS 28 -5.551 31.694 4.367 25 HZ2 LYS 28 HZ2 LYS 28 -3.893 31.630 4.037 26 HZ3 LYS 28 HZ3 LYS 28 -4.444 31.468 5.628 27 H GLY 29 HN GLY 29 -5.997 25.670 5.882 28 HA2 GLY 29 HA2 GLY 29 -3.217 24.874 5.904 29 HA3 GLY 29 HA1 GLY 29 -4.222 25.199 7.307 30 H ALA 30 HN ALA 30 -6.282 23.306 6.139 31 HA ALA 30 HA ALA 30 -5.425 20.990 7.556 32 HB1 ALA 30 HB1 ALA 30 -7.773 21.677 7.463 33 HB2 ALA 30 HB2 ALA 30 -7.555 20.025 6.881 34 HB3 ALA 30 HB3 ALA 30 -7.800 21.342 5.732 35 H ILE 31 HN ILE 31 -5.863 21.721 4.106 36 HA ILE 31 HA ILE 31 -5.296 19.167 3.111 37 HB ILE 31 HB ILE 31 -6.277 20.887 1.701 38 HG12 ILE 31 HG12 ILE 31 -3.566 20.127 0.601 39 HG13 ILE 31 HG11 ILE 31 -4.932 19.018 0.695 40 HG21 ILE 31 HG21 ILE 31 -5.136 22.833 2.570 41 HG22 ILE 31 HG22 ILE 31 -4.912 22.736 0.825 42 HG23 ILE 31 HG23 ILE 31 -3.605 22.261 1.909 43 HD11 ILE 31 HD11 ILE 31 -4.687 19.959 -1.534 44 HD12 ILE 31 HD12 ILE 31 -4.851 21.587 -0.876 45 HD13 ILE 31 HD13 ILE 31 -6.208 20.462 -0.797 46 H ILE 32 HN ILE 32 -3.211 21.632 4.361 47 HA ILE 32 HA ILE 32 -0.786 20.939 3.145 48 HB ILE 32 HB ILE 32 -1.129 21.934 5.976 49 HG12 ILE 32 HG12 ILE 32 -2.379 23.360 4.429 50 HG13 ILE 32 HG11 ILE 32 -0.954 24.201 5.028 51 HG21 ILE 32 HG21 ILE 32 1.085 22.934 5.623 52 HG22 ILE 32 HG22 ILE 32 1.160 22.182 4.029 53 HG23 ILE 32 HG23 ILE 32 1.121 21.175 5.477 54 HD11 ILE 32 HD11 ILE 32 -1.291 24.615 2.665 55 HD12 ILE 32 HD12 ILE 32 -1.227 22.883 2.336 56 HD13 ILE 32 HD13 ILE 32 0.205 23.719 2.934 57 H GLY 33 HN GLY 33 -2.637 19.352 5.592 58 HA2 GLY 33 HA2 GLY 33 -0.436 17.752 6.579 59 HA3 GLY 33 HA1 GLY 33 -2.131 17.589 7.023 60 H LEU 34 HN LEU 34 -2.738 17.565 4.033 61 HA LEU 34 HA LEU 34 -2.677 14.708 3.754 62 HB2 LEU 34 HB2 LEU 34 -3.629 16.889 1.897 63 HB3 LEU 34 HB1 LEU 34 -3.832 15.171 1.594 64 HG LEU 34 HG LEU 34 -4.933 16.461 4.075 65 HD11 LEU 34 HD11 LEU 34 -7.087 16.625 2.891 66 HD12 LEU 34 HD12 LEU 34 -6.267 16.212 1.384 67 HD13 LEU 34 HD13 LEU 34 -5.860 17.707 2.231 68 HD21 LEU 34 HD21 LEU 34 -4.773 14.031 4.060 69 HD22 LEU 34 HD22 LEU 34 -5.659 13.970 2.536 70 HD23 LEU 34 HD23 LEU 34 -6.459 14.547 3.997 71 H MET 35 HN MET 35 -0.429 17.057 3.161 72 HA MET 35 HA MET 35 0.636 16.463 0.662 73 HB2 MET 35 HB2 MET 35 1.402 18.379 1.913 74 HB3 MET 35 HB1 MET 35 2.017 17.352 3.200 75 HG2 MET 35 HG2 MET 35 3.805 18.211 1.783 76 HG3 MET 35 HG1 MET 35 3.706 16.452 1.716 77 HE1 MET 35 HE1 MET 35 2.944 19.819 -0.146 78 HE2 MET 35 HE2 MET 35 1.353 19.063 -0.070 79 HE3 MET 35 HE3 MET 35 2.170 19.246 -1.624 80 H VAL 36 HN VAL 36 1.206 14.941 3.798 81 HA VAL 36 HA VAL 36 3.048 13.013 2.662 82 HB VAL 36 HB VAL 36 3.171 12.073 4.919 83 HG11 VAL 36 HG11 VAL 36 4.603 13.962 4.360 84 HG12 VAL 36 HG12 VAL 36 4.131 14.015 6.057 85 HG13 VAL 36 HG13 VAL 36 3.350 15.084 4.889 86 HG21 VAL 36 HG21 VAL 36 1.947 13.115 6.775 87 HG22 VAL 36 HG22 VAL 36 0.854 12.384 5.599 88 HG23 VAL 36 HG23 VAL 36 1.080 14.132 5.624 89 H GLY 37 HN GLY 37 -0.307 13.325 3.175 90 HA2 GLY 37 HA2 GLY 37 -1.045 10.623 3.545 91 HA3 GLY 37 HA1 GLY 37 -2.080 11.894 2.907 92 H GLY 38 HN GLY 38 0.239 12.214 0.827 93 HA2 GLY 38 HA2 GLY 38 -0.986 10.377 -1.079 94 HA3 GLY 38 HA1 GLY 38 0.073 11.724 -1.467 95 H VAL 39 HN VAL 39 2.046 10.840 0.584 96 HA VAL 39 HA VAL 39 3.451 8.971 -1.129 97 HB VAL 39 HB VAL 39 5.385 9.361 0.278 98 HG11 VAL 39 HG11 VAL 39 3.917 11.925 -0.325 99 HG12 VAL 39 HG12 VAL 39 4.893 10.995 -1.463 100 HG13 VAL 39 HG13 VAL 39 5.655 11.764 -0.069 101 HG21 VAL 39 HG21 VAL 39 3.557 11.007 2.020 102 HG22 VAL 39 HG22 VAL 39 5.301 10.849 2.210 103 HG23 VAL 39 HG23 VAL 39 4.258 9.447 2.446 104 H VAL 40 HN VAL 40 1.691 8.924 1.847 105 HA VAL 40 HA VAL 40 2.836 6.520 2.882 106 HB VAL 40 HB VAL 40 0.885 6.504 4.421 107 HG11 VAL 40 HG11 VAL 40 2.328 9.140 4.156 108 HG12 VAL 40 HG12 VAL 40 2.899 7.715 5.024 109 HG13 VAL 40 HG13 VAL 40 1.474 8.584 5.595 110 HG21 VAL 40 HG21 VAL 40 -0.658 8.416 4.397 111 HG22 VAL 40 HG22 VAL 40 -0.791 7.444 2.931 112 HG23 VAL 40 HG23 VAL 40 0.078 8.979 2.896 113 H ILE 41 HN ILE 41 -0.033 7.287 0.961 114 HA ILE 41 HA ILE 41 -1.225 4.752 1.005 115 HB ILE 41 HB ILE 41 -1.307 6.822 -1.197 116 HG12 ILE 41 HG12 ILE 41 -3.260 6.286 1.052 117 HG13 ILE 41 HG11 ILE 41 -2.078 7.590 1.048 118 HG21 ILE 41 HG21 ILE 41 -1.997 4.634 -2.012 119 HG22 ILE 41 HG22 ILE 41 -3.385 5.713 -1.892 120 HG23 ILE 41 HG23 ILE 41 -3.124 4.473 -0.667 121 HD11 ILE 41 HD11 ILE 41 -4.288 8.384 0.431 122 HD12 ILE 41 HD12 ILE 41 -4.327 7.251 -0.921 123 HD13 ILE 41 HD13 ILE 41 -3.152 8.567 -0.905 124 H ALA 42 HN ALA 42 1.462 6.014 -0.813 125 HA ALA 42 HA ALA 42 1.539 3.813 -2.680 126 HB1 ALA 42 HB1 ALA 42 2.320 6.038 -3.342 127 HB2 ALA 42 HB2 ALA 42 3.601 4.834 -3.486 128 HB3 ALA 42 HB3 ALA 42 3.590 5.953 -2.122 129 H THR 43 HN THR 43 2.778 4.534 0.449 130 HA THR 43 HA THR 43 4.919 2.608 0.370 131 HB THR 43 HB THR 43 3.711 3.999 2.769 132 HG1 THR 43 HG1 THR 43 4.675 5.687 1.936 133 HG21 THR 43 HG21 THR 43 6.375 2.622 2.400 134 HG22 THR 43 HG22 THR 43 5.019 2.012 3.350 135 HG23 THR 43 HG23 THR 43 5.852 3.485 3.847 136 H VAL 44 HN VAL 44 1.559 2.659 1.308 137 HA VAL 44 HA VAL 44 1.716 0.157 2.748 138 HB VAL 44 HB VAL 44 0.097 1.884 3.429 139 HG11 VAL 44 HG11 VAL 44 -1.920 2.274 2.094 140 HG12 VAL 44 HG12 VAL 44 -1.254 1.272 0.804 141 HG13 VAL 44 HG13 VAL 44 -0.462 2.785 1.241 142 HG21 VAL 44 HG21 VAL 44 -0.337 -0.418 4.032 143 HG22 VAL 44 HG22 VAL 44 -1.135 -0.701 2.485 144 HG23 VAL 44 HG23 VAL 44 -1.856 0.396 3.661 145 H THR 45 HN THR 45 1.057 1.218 -0.482 146 HA THR 45 HA THR 45 -0.443 -0.945 -1.439 147 HB THR 45 HB THR 45 1.572 0.722 -2.961 148 HG1 THR 45 HG1 THR 45 -1.225 1.058 -2.513 149 HG21 THR 45 HG21 THR 45 -0.750 -0.950 -3.932 150 HG22 THR 45 HG22 THR 45 0.960 -1.307 -4.172 151 HG23 THR 45 HG23 THR 45 0.241 0.109 -4.937 152 H VAL 46 HN VAL 46 3.078 -0.437 -1.390 153 HA VAL 46 HA VAL 46 3.758 -2.868 -2.639 154 HB VAL 46 HB VAL 46 5.351 -1.025 -2.456 155 HG11 VAL 46 HG11 VAL 46 6.475 -0.539 -0.333 156 HG12 VAL 46 HG12 VAL 46 5.395 -1.664 0.492 157 HG13 VAL 46 HG13 VAL 46 4.746 -0.203 -0.250 158 HG21 VAL 46 HG21 VAL 46 7.332 -2.320 -1.810 159 HG22 VAL 46 HG22 VAL 46 6.222 -3.272 -2.797 160 HG23 VAL 46 HG23 VAL 46 6.290 -3.525 -1.053 161 H ILE 47 HN ILE 47 2.951 -2.060 0.653 162 HA ILE 47 HA ILE 47 3.961 -4.483 1.805 163 HB ILE 47 HB ILE 47 1.931 -2.549 2.935 164 HG12 ILE 47 HG12 ILE 47 4.056 -1.436 2.411 165 HG13 ILE 47 HG11 ILE 47 3.823 -1.559 4.150 166 HG21 ILE 47 HG21 ILE 47 1.879 -4.708 4.047 167 HG22 ILE 47 HG22 ILE 47 2.579 -3.484 5.108 168 HG23 ILE 47 HG23 ILE 47 3.625 -4.644 4.290 169 HD11 ILE 47 HD11 ILE 47 5.357 -3.460 4.216 170 HD12 ILE 47 HD12 ILE 47 6.120 -2.022 3.536 171 HD13 ILE 47 HD13 ILE 47 5.591 -3.326 2.472 172 H THR 48 HN THR 48 0.989 -3.468 0.317 173 HA THR 48 HA THR 48 -0.660 -5.551 1.343 174 HB THR 48 HB THR 48 -1.044 -3.995 -1.223 175 HG1 THR 48 HG1 THR 48 -1.870 -2.404 -0.022 176 HG21 THR 48 HG21 THR 48 -2.495 -5.950 -1.031 177 HG22 THR 48 HG22 THR 48 -3.429 -4.467 -0.843 178 HG23 THR 48 HG23 THR 48 -3.007 -5.428 0.574 179 H LEU 49 HN LEU 49 1.751 -5.416 -1.083 180 HA LEU 49 HA LEU 49 0.763 -7.618 -2.649 181 HB2 LEU 49 HB2 LEU 49 3.452 -6.251 -2.611 182 HB3 LEU 49 HB1 LEU 49 2.982 -7.486 -3.762 183 HG LEU 49 HG LEU 49 1.651 -4.790 -3.470 184 HD11 LEU 49 HD11 LEU 49 3.894 -4.583 -4.376 185 HD12 LEU 49 HD12 LEU 49 2.692 -4.295 -5.634 186 HD13 LEU 49 HD13 LEU 49 3.548 -5.837 -5.568 187 HD21 LEU 49 HD21 LEU 49 0.521 -5.402 -5.566 188 HD22 LEU 49 HD22 LEU 49 0.096 -6.487 -4.242 189 HD23 LEU 49 HD23 LEU 49 1.244 -7.007 -5.474 190 H VAL 50 HN VAL 50 3.009 -7.191 0.016 191 HA VAL 50 HA VAL 50 4.022 -9.886 -0.179 192 HB VAL 50 HB VAL 50 5.423 -8.032 0.688 193 HG11 VAL 50 HG11 VAL 50 3.840 -6.751 1.931 194 HG12 VAL 50 HG12 VAL 50 5.070 -7.329 3.055 195 HG13 VAL 50 HG13 VAL 50 3.492 -8.113 2.995 196 HG21 VAL 50 HG21 VAL 50 4.945 -10.292 2.628 197 HG22 VAL 50 HG22 VAL 50 6.389 -9.279 2.567 198 HG23 VAL 50 HG23 VAL 50 5.994 -10.337 1.210 199 H MET 51 HN MET 51 1.380 -8.300 1.351 200 HA MET 51 HA MET 51 0.964 -10.098 3.499 201 HB2 MET 51 HB2 MET 51 -0.882 -8.214 2.040 202 HB3 MET 51 HB1 MET 51 -1.419 -9.203 3.389 203 HG2 MET 51 HG2 MET 51 0.255 -8.146 4.825 204 HG3 MET 51 HG1 MET 51 0.775 -7.145 3.471 205 HE1 MET 51 HE1 MET 51 -2.880 -8.236 4.498 206 HE2 MET 51 HE2 MET 51 -3.363 -6.859 5.493 207 HE3 MET 51 HE3 MET 51 -2.071 -7.927 6.036 208 H LEU 52 HN LEU 52 -0.456 -9.932 0.235 209 HA LEU 52 HA LEU 52 -2.102 -12.199 0.524 210 HB2 LEU 52 HB2 LEU 52 -2.227 -12.191 -1.933 211 HB3 LEU 52 HB1 LEU 52 -2.501 -10.605 -1.241 212 HG LEU 52 HG LEU 52 0.109 -10.364 -1.731 213 HD11 LEU 52 HD11 LEU 52 0.640 -11.422 -3.889 214 HD12 LEU 52 HD12 LEU 52 -0.864 -12.337 -3.791 215 HD13 LEU 52 HD13 LEU 52 0.408 -12.601 -2.599 216 HD21 LEU 52 HD21 LEU 52 -0.495 -9.259 -3.827 217 HD22 LEU 52 HD22 LEU 52 -1.640 -8.877 -2.541 218 HD23 LEU 52 HD23 LEU 52 -2.072 -10.047 -3.789 219 H LYS 53 HN LYS 53 1.274 -11.855 0.009 220 HA LYS 53 HA LYS 53 1.636 -14.542 -1.017 221 HB2 LYS 53 HB2 LYS 53 3.660 -12.474 -0.131 222 HB3 LYS 53 HB1 LYS 53 4.050 -14.004 -0.902 223 HG2 LYS 53 HG2 LYS 53 2.356 -11.869 -2.176 224 HG3 LYS 53 HG1 LYS 53 4.094 -12.027 -2.416 225 HD2 LYS 53 HD2 LYS 53 2.107 -14.218 -3.008 226 HD3 LYS 53 HD1 LYS 53 2.690 -13.066 -4.213 227 HE2 LYS 53 HE2 LYS 53 4.998 -13.820 -3.774 228 HE3 LYS 53 HE1 LYS 53 4.372 -15.011 -2.634 229 HZ1 LYS 53 HZ1 LYS 53 4.791 -16.017 -4.775 230 HZ2 LYS 53 HZ2 LYS 53 3.776 -14.902 -5.542 231 HZ3 LYS 53 HZ3 LYS 53 3.130 -16.027 -4.455 232 H LYS 54 HN LYS 54 1.615 -12.888 2.009 233 HA LYS 54 HA LYS 54 3.171 -14.654 3.552 234 HB2 LYS 54 HB2 LYS 54 2.519 -12.409 4.314 235 HB3 LYS 54 HB1 LYS 54 0.839 -12.923 4.397 236 HG2 LYS 54 HG2 LYS 54 1.436 -14.552 6.131 237 HG3 LYS 54 HG1 LYS 54 3.109 -13.991 6.064 238 HD2 LYS 54 HD2 LYS 54 2.422 -11.773 6.770 239 HD3 LYS 54 HD1 LYS 54 0.728 -12.269 6.755 240 HE2 LYS 54 HE2 LYS 54 2.884 -13.413 8.530 241 HE3 LYS 54 HE1 LYS 54 1.654 -12.251 9.025 242 HZ1 LYS 54 HZ1 LYS 54 1.031 -14.487 9.656 243 HZ2 LYS 54 HZ2 LYS 54 1.144 -15.010 8.052 244 HZ3 LYS 54 HZ3 LYS 54 -0.047 -13.894 8.494 245 H LYS 55 HN LYS 55 0.060 -14.966 2.173 246 HA LYS 55 HA LYS 55 -1.245 -16.671 3.936 247 HB2 LYS 55 HB2 LYS 55 -1.316 -16.569 0.919 248 HB3 LYS 55 HB1 LYS 55 -2.421 -17.536 1.885 249 HG2 LYS 55 HG2 LYS 55 -3.310 -15.549 2.932 250 HG3 LYS 55 HG1 LYS 55 -2.139 -14.543 2.072 251 HD2 LYS 55 HD2 LYS 55 -3.141 -15.068 -0.039 252 HD3 LYS 55 HD1 LYS 55 -4.185 -16.283 0.702 253 HE2 LYS 55 HE2 LYS 55 -5.422 -14.236 0.243 254 HE3 LYS 55 HE1 LYS 55 -5.318 -14.533 1.978 255 HZ1 LYS 55 HZ1 LYS 55 -3.474 -12.940 2.073 256 HZ2 LYS 55 HZ2 LYS 55 -4.900 -12.225 1.512 257 HZ3 LYS 55 HZ3 LYS 55 -3.668 -12.616 0.424 Start of MODEL 11 1 H1 SER 26 HT1 SER 26 4.442 30.890 0.164 2 H2 SER 26 HT2 SER 26 3.565 30.912 -1.282 3 H3 SER 26 HT3 SER 26 4.070 29.438 -0.622 4 HA SER 26 HA SER 26 2.640 29.715 1.262 5 HB2 SER 26 HB2 SER 26 1.064 31.615 1.348 6 HB3 SER 26 HB1 SER 26 2.741 32.159 1.405 7 HG SER 26 HG SER 26 2.552 33.011 -0.549 8 H ASN 27 HN ASN 27 2.001 30.521 -2.109 9 HA ASN 27 HA ASN 27 -0.516 29.046 -2.045 10 HB2 ASN 27 HB2 ASN 27 -0.498 31.183 -3.230 11 HB3 ASN 27 HB1 ASN 27 0.800 30.613 -4.273 12 HD21 ASN 27 HD21 ASN 27 -0.402 30.905 -6.132 13 HD22 ASN 27 HD22 ASN 27 -1.719 29.870 -6.555 14 H LYS 28 HN LYS 28 2.758 28.756 -3.198 15 HA LYS 28 HA LYS 28 2.217 26.498 -4.901 16 HB2 LYS 28 HB2 LYS 28 4.078 28.091 -5.334 17 HB3 LYS 28 HB1 LYS 28 4.867 27.522 -3.869 18 HG2 LYS 28 HG2 LYS 28 5.077 25.296 -4.815 19 HG3 LYS 28 HG1 LYS 28 4.225 25.819 -6.269 20 HD2 LYS 28 HD2 LYS 28 6.014 27.456 -6.704 21 HD3 LYS 28 HD1 LYS 28 6.875 26.873 -5.278 22 HE2 LYS 28 HE2 LYS 28 7.057 24.659 -6.280 23 HE3 LYS 28 HE1 LYS 28 6.157 25.210 -7.692 24 HZ1 LYS 28 HZ1 LYS 28 8.796 26.249 -6.810 25 HZ2 LYS 28 HZ2 LYS 28 7.932 26.785 -8.160 26 HZ3 LYS 28 HZ3 LYS 28 8.530 25.203 -8.114 27 H GLY 29 HN GLY 29 2.955 27.024 -1.576 28 HA2 GLY 29 HA2 GLY 29 3.988 24.397 -1.047 29 HA3 GLY 29 HA1 GLY 29 3.509 25.591 0.150 30 H ALA 30 HN ALA 30 0.832 25.769 -1.287 31 HA ALA 30 HA ALA 30 -0.643 24.134 0.408 32 HB1 ALA 30 HB1 ALA 30 -1.567 26.087 -0.741 33 HB2 ALA 30 HB2 ALA 30 -2.563 24.654 -0.994 34 HB3 ALA 30 HB3 ALA 30 -1.490 25.219 -2.275 35 H ILE 31 HN ILE 31 0.409 23.540 -2.927 36 HA ILE 31 HA ILE 31 -0.920 20.988 -3.053 37 HB ILE 31 HB ILE 31 -0.625 22.308 -5.088 38 HG12 ILE 31 HG12 ILE 31 0.408 20.504 -6.519 39 HG13 ILE 31 HG11 ILE 31 0.851 19.670 -5.031 40 HG21 ILE 31 HG21 ILE 31 1.595 22.546 -6.115 41 HG22 ILE 31 HG22 ILE 31 2.324 21.841 -4.674 42 HG23 ILE 31 HG23 ILE 31 1.482 23.386 -4.568 43 HD11 ILE 31 HD11 ILE 31 -1.950 20.342 -5.902 44 HD12 ILE 31 HD12 ILE 31 -1.498 19.490 -4.425 45 HD13 ILE 31 HD13 ILE 31 -1.182 18.758 -5.997 46 H ILE 32 HN ILE 32 2.291 22.160 -2.298 47 HA ILE 32 HA ILE 32 3.723 19.761 -2.546 48 HB ILE 32 HB ILE 32 4.194 22.056 -0.634 49 HG12 ILE 32 HG12 ILE 32 5.453 21.456 -3.318 50 HG13 ILE 32 HG11 ILE 32 4.173 22.635 -3.059 51 HG21 ILE 32 HG21 ILE 32 5.368 20.082 0.131 52 HG22 ILE 32 HG22 ILE 32 6.518 21.234 -0.546 53 HG23 ILE 32 HG23 ILE 32 6.033 19.821 -1.482 54 HD11 ILE 32 HD11 ILE 32 6.354 23.697 -3.207 55 HD12 ILE 32 HD12 ILE 32 6.925 22.732 -1.846 56 HD13 ILE 32 HD13 ILE 32 5.646 23.921 -1.608 57 H GLY 33 HN GLY 33 1.435 20.817 -0.188 58 HA2 GLY 33 HA2 GLY 33 2.230 19.209 1.995 59 HA3 GLY 33 HA1 GLY 33 0.619 19.855 1.731 60 H LEU 34 HN LEU 34 0.671 18.426 -0.974 61 HA LEU 34 HA LEU 34 -0.459 15.951 0.034 62 HB2 LEU 34 HB2 LEU 34 -0.364 17.195 -2.708 63 HB3 LEU 34 HB1 LEU 34 -1.034 15.604 -2.412 64 HG LEU 34 HG LEU 34 -2.630 16.719 -0.777 65 HD11 LEU 34 HD11 LEU 34 -1.443 18.803 -0.454 66 HD12 LEU 34 HD12 LEU 34 -3.035 19.116 -1.145 67 HD13 LEU 34 HD13 LEU 34 -1.601 19.187 -2.168 68 HD21 LEU 34 HD21 LEU 34 -3.304 15.948 -2.994 69 HD22 LEU 34 HD22 LEU 34 -2.792 17.487 -3.688 70 HD23 LEU 34 HD23 LEU 34 -4.141 17.438 -2.552 71 H MET 35 HN MET 35 2.555 16.968 -0.963 72 HA MET 35 HA MET 35 3.494 14.856 -2.538 73 HB2 MET 35 HB2 MET 35 4.763 16.915 -2.238 74 HB3 MET 35 HB1 MET 35 4.983 16.559 -0.532 75 HG2 MET 35 HG2 MET 35 6.297 14.581 -1.117 76 HG3 MET 35 HG1 MET 35 6.082 14.949 -2.827 77 HE1 MET 35 HE1 MET 35 8.751 14.786 -3.083 78 HE2 MET 35 HE2 MET 35 8.921 14.489 -1.352 79 HE3 MET 35 HE3 MET 35 9.878 15.751 -2.131 80 H VAL 36 HN VAL 36 3.326 15.224 0.973 81 HA VAL 36 HA VAL 36 4.604 12.714 1.508 82 HB VAL 36 HB VAL 36 3.903 13.078 3.842 83 HG11 VAL 36 HG11 VAL 36 5.968 14.086 3.036 84 HG12 VAL 36 HG12 VAL 36 5.194 15.122 4.235 85 HG13 VAL 36 HG13 VAL 36 5.081 15.521 2.522 86 HG21 VAL 36 HG21 VAL 36 1.736 14.110 3.437 87 HG22 VAL 36 HG22 VAL 36 2.525 15.531 2.748 88 HG23 VAL 36 HG23 VAL 36 2.733 15.146 4.457 89 H GLY 37 HN GLY 37 1.421 13.723 0.735 90 HA2 GLY 37 HA2 GLY 37 0.101 11.442 1.931 91 HA3 GLY 37 HA1 GLY 37 -0.642 12.665 0.911 92 H GLY 38 HN GLY 38 1.662 12.140 -1.052 93 HA2 GLY 38 HA2 GLY 38 0.244 10.069 -2.518 94 HA3 GLY 38 HA1 GLY 38 1.541 11.081 -3.131 95 H VAL 39 HN VAL 39 3.172 10.420 -0.700 96 HA VAL 39 HA VAL 39 4.369 8.014 -1.787 97 HB VAL 39 HB VAL 39 6.170 8.420 -0.150 98 HG11 VAL 39 HG11 VAL 39 5.380 10.840 -1.768 99 HG12 VAL 39 HG12 VAL 39 6.294 9.448 -2.350 100 HG13 VAL 39 HG13 VAL 39 6.992 10.516 -1.130 101 HG21 VAL 39 HG21 VAL 39 4.839 9.394 1.645 102 HG22 VAL 39 HG22 VAL 39 4.513 10.814 0.650 103 HG23 VAL 39 HG23 VAL 39 6.157 10.474 1.191 104 H VAL 40 HN VAL 40 2.577 9.010 1.055 105 HA VAL 40 HA VAL 40 3.111 6.731 2.644 106 HB VAL 40 HB VAL 40 2.221 8.782 3.627 107 HG11 VAL 40 HG11 VAL 40 0.768 9.489 1.813 108 HG12 VAL 40 HG12 VAL 40 -0.131 9.404 3.329 109 HG13 VAL 40 HG13 VAL 40 -0.311 8.129 2.125 110 HG21 VAL 40 HG21 VAL 40 1.868 6.677 4.807 111 HG22 VAL 40 HG22 VAL 40 0.349 6.435 3.945 112 HG23 VAL 40 HG23 VAL 40 0.518 7.781 5.073 113 H ILE 41 HN ILE 41 0.614 7.477 0.265 114 HA ILE 41 HA ILE 41 -1.028 5.243 0.700 115 HB ILE 41 HB ILE 41 -0.543 6.789 -1.851 116 HG12 ILE 41 HG12 ILE 41 -2.819 6.970 0.132 117 HG13 ILE 41 HG11 ILE 41 -1.443 8.066 0.107 118 HG21 ILE 41 HG21 ILE 41 -2.693 5.850 -2.607 119 HG22 ILE 41 HG22 ILE 41 -2.729 4.826 -1.170 120 HG23 ILE 41 HG23 ILE 41 -1.461 4.609 -2.377 121 HD11 ILE 41 HD11 ILE 41 -3.440 7.694 -2.114 122 HD12 ILE 41 HD12 ILE 41 -2.070 8.806 -2.129 123 HD13 ILE 41 HD13 ILE 41 -3.384 9.042 -0.978 124 H ALA 42 HN ALA 42 1.877 5.688 -1.233 125 HA ALA 42 HA ALA 42 1.746 3.136 -2.512 126 HB1 ALA 42 HB1 ALA 42 4.098 4.995 -2.168 127 HB2 ALA 42 HB2 ALA 42 2.950 5.024 -3.508 128 HB3 ALA 42 HB3 ALA 42 4.007 3.628 -3.280 129 H THR 43 HN THR 43 2.964 4.327 0.504 130 HA THR 43 HA THR 43 4.812 2.277 1.087 131 HB THR 43 HB THR 43 3.173 3.902 3.045 132 HG1 THR 43 HG1 THR 43 4.431 5.496 2.478 133 HG21 THR 43 HG21 THR 43 4.232 1.950 4.070 134 HG22 THR 43 HG22 THR 43 5.010 3.439 4.607 135 HG23 THR 43 HG23 THR 43 5.789 2.426 3.390 136 H VAL 44 HN VAL 44 1.336 2.531 1.430 137 HA VAL 44 HA VAL 44 1.121 0.093 2.970 138 HB VAL 44 HB VAL 44 -1.071 1.698 1.647 139 HG11 VAL 44 HG11 VAL 44 -1.188 -0.362 3.849 140 HG12 VAL 44 HG12 VAL 44 -1.717 -0.599 2.183 141 HG13 VAL 44 HG13 VAL 44 -2.553 0.560 3.216 142 HG21 VAL 44 HG21 VAL 44 -1.433 2.692 3.853 143 HG22 VAL 44 HG22 VAL 44 0.180 3.057 3.241 144 HG23 VAL 44 HG23 VAL 44 -0.034 1.819 4.478 145 H THR 45 HN THR 45 0.803 1.110 -0.366 146 HA THR 45 HA THR 45 -0.543 -1.110 -1.412 147 HB THR 45 HB THR 45 1.555 0.567 -2.803 148 HG1 THR 45 HG1 THR 45 -0.612 1.506 -3.595 149 HG21 THR 45 HG21 THR 45 1.024 -1.487 -4.015 150 HG22 THR 45 HG22 THR 45 0.367 -0.081 -4.855 151 HG23 THR 45 HG23 THR 45 -0.698 -1.118 -3.906 152 H VAL 46 HN VAL 46 2.950 -0.496 -1.099 153 HA VAL 46 HA VAL 46 3.822 -2.896 -2.260 154 HB VAL 46 HB VAL 46 5.310 -0.977 -1.850 155 HG11 VAL 46 HG11 VAL 46 6.236 -0.596 0.389 156 HG12 VAL 46 HG12 VAL 46 5.124 -1.797 1.045 157 HG13 VAL 46 HG13 VAL 46 4.497 -0.307 0.338 158 HG21 VAL 46 HG21 VAL 46 7.272 -2.252 -1.111 159 HG22 VAL 46 HG22 VAL 46 6.284 -3.172 -2.247 160 HG23 VAL 46 HG23 VAL 46 6.211 -3.532 -0.521 161 H ILE 47 HN ILE 47 2.610 -2.179 0.923 162 HA ILE 47 HA ILE 47 3.570 -4.601 2.134 163 HB ILE 47 HB ILE 47 1.446 -2.670 3.077 164 HG12 ILE 47 HG12 ILE 47 3.681 -1.654 2.871 165 HG13 ILE 47 HG11 ILE 47 3.187 -1.788 4.553 166 HG21 ILE 47 HG21 ILE 47 2.843 -4.902 4.544 167 HG22 ILE 47 HG22 ILE 47 1.137 -4.838 4.104 168 HG23 ILE 47 HG23 ILE 47 1.785 -3.703 5.289 169 HD11 ILE 47 HD11 ILE 47 5.527 -2.358 4.275 170 HD12 ILE 47 HD12 ILE 47 5.098 -3.619 3.119 171 HD13 ILE 47 HD13 ILE 47 4.601 -3.764 4.805 172 H THR 48 HN THR 48 0.641 -3.539 0.530 173 HA THR 48 HA THR 48 -0.990 -5.734 1.299 174 HB THR 48 HB THR 48 -1.268 -3.975 -1.147 175 HG1 THR 48 HG1 THR 48 -2.969 -3.161 0.583 176 HG21 THR 48 HG21 THR 48 -3.641 -4.583 -1.021 177 HG22 THR 48 HG22 THR 48 -3.294 -5.652 0.337 178 HG23 THR 48 HG23 THR 48 -2.626 -6.007 -1.255 179 H LEU 49 HN LEU 49 1.350 -5.224 -1.236 180 HA LEU 49 HA LEU 49 0.542 -7.484 -2.812 181 HB2 LEU 49 HB2 LEU 49 3.130 -5.929 -2.855 182 HB3 LEU 49 HB1 LEU 49 2.597 -7.068 -4.075 183 HG LEU 49 HG LEU 49 1.196 -4.479 -3.407 184 HD11 LEU 49 HD11 LEU 49 3.372 -4.093 -4.439 185 HD12 LEU 49 HD12 LEU 49 2.060 -3.686 -5.546 186 HD13 LEU 49 HD13 LEU 49 2.952 -5.194 -5.749 187 HD21 LEU 49 HD21 LEU 49 0.737 -6.495 -5.605 188 HD22 LEU 49 HD22 LEU 49 -0.059 -4.924 -5.477 189 HD23 LEU 49 HD23 LEU 49 -0.338 -6.159 -4.248 190 H VAL 50 HN VAL 50 3.015 -6.851 -0.370 191 HA VAL 50 HA VAL 50 4.190 -9.466 -0.634 192 HB VAL 50 HB VAL 50 5.539 -7.520 0.070 193 HG11 VAL 50 HG11 VAL 50 3.920 -7.663 2.610 194 HG12 VAL 50 HG12 VAL 50 3.872 -6.365 1.415 195 HG13 VAL 50 HG13 VAL 50 5.341 -6.652 2.348 196 HG21 VAL 50 HG21 VAL 50 5.373 -9.730 2.115 197 HG22 VAL 50 HG22 VAL 50 6.738 -8.636 1.899 198 HG23 VAL 50 HG23 VAL 50 6.301 -9.763 0.615 199 H MET 51 HN MET 51 1.638 -8.031 1.191 200 HA MET 51 HA MET 51 1.535 -9.723 3.413 201 HB2 MET 51 HB2 MET 51 0.188 -7.709 3.293 202 HB3 MET 51 HB1 MET 51 -0.704 -8.347 1.917 203 HG2 MET 51 HG2 MET 51 -2.000 -8.488 3.970 204 HG3 MET 51 HG1 MET 51 -1.659 -10.087 3.310 205 HE1 MET 51 HE1 MET 51 -1.630 -10.861 7.117 206 HE2 MET 51 HE2 MET 51 -2.264 -11.309 5.533 207 HE3 MET 51 HE3 MET 51 -2.712 -9.764 6.258 208 H LEU 52 HN LEU 52 -0.141 -10.014 0.281 209 HA LEU 52 HA LEU 52 -1.243 -12.574 0.908 210 HB2 LEU 52 HB2 LEU 52 -1.822 -12.623 -1.528 211 HB3 LEU 52 HB1 LEU 52 -2.431 -11.232 -0.651 212 HG LEU 52 HG LEU 52 -0.272 -10.060 -1.560 213 HD11 LEU 52 HD11 LEU 52 -0.633 -12.327 -3.513 214 HD12 LEU 52 HD12 LEU 52 0.784 -12.009 -2.511 215 HD13 LEU 52 HD13 LEU 52 0.346 -10.886 -3.798 216 HD21 LEU 52 HD21 LEU 52 -1.521 -9.349 -3.538 217 HD22 LEU 52 HD22 LEU 52 -2.552 -9.410 -2.109 218 HD23 LEU 52 HD23 LEU 52 -2.639 -10.695 -3.315 219 H LYS 53 HN LYS 53 1.791 -11.495 -0.219 220 HA LYS 53 HA LYS 53 2.515 -13.944 -1.562 221 HB2 LYS 53 HB2 LYS 53 3.442 -11.739 -2.231 222 HB3 LYS 53 HB1 LYS 53 4.266 -11.641 -0.681 223 HG2 LYS 53 HG2 LYS 53 5.576 -13.618 -1.239 224 HG3 LYS 53 HG1 LYS 53 4.735 -13.743 -2.786 225 HD2 LYS 53 HD2 LYS 53 5.602 -11.524 -3.410 226 HD3 LYS 53 HD1 LYS 53 6.475 -11.451 -1.879 227 HE2 LYS 53 HE2 LYS 53 6.878 -13.492 -4.064 228 HE3 LYS 53 HE1 LYS 53 7.946 -12.138 -3.701 229 HZ1 LYS 53 HZ1 LYS 53 8.760 -14.208 -2.750 230 HZ2 LYS 53 HZ2 LYS 53 7.334 -14.385 -1.857 231 HZ3 LYS 53 HZ3 LYS 53 8.381 -13.097 -1.532 232 H LYS 54 HN LYS 54 2.519 -12.760 1.649 233 HA LYS 54 HA LYS 54 4.673 -14.137 2.772 234 HB2 LYS 54 HB2 LYS 54 3.364 -12.421 3.967 235 HB3 LYS 54 HB1 LYS 54 1.994 -13.521 4.038 236 HG2 LYS 54 HG2 LYS 54 3.206 -15.028 5.462 237 HG3 LYS 54 HG1 LYS 54 4.678 -14.069 5.289 238 HD2 LYS 54 HD2 LYS 54 3.679 -13.556 7.410 239 HD3 LYS 54 HD1 LYS 54 3.485 -12.160 6.349 240 HE2 LYS 54 HE2 LYS 54 1.431 -12.561 7.563 241 HE3 LYS 54 HE1 LYS 54 1.186 -12.891 5.849 242 HZ1 LYS 54 HZ1 LYS 54 0.178 -14.596 7.225 243 HZ2 LYS 54 HZ2 LYS 54 1.668 -14.932 7.951 244 HZ3 LYS 54 HZ3 LYS 54 1.437 -15.252 6.307 245 H LYS 55 HN LYS 55 1.544 -15.215 1.736 246 HA LYS 55 HA LYS 55 0.531 -17.245 1.651 247 HB2 LYS 55 HB2 LYS 55 2.685 -17.628 0.355 248 HB3 LYS 55 HB1 LYS 55 3.311 -18.404 1.804 249 HG2 LYS 55 HG2 LYS 55 2.511 -20.101 0.337 250 HG3 LYS 55 HG1 LYS 55 1.398 -19.994 1.702 251 HD2 LYS 55 HD2 LYS 55 0.437 -18.190 -0.222 252 HD3 LYS 55 HD1 LYS 55 0.881 -19.652 -1.107 253 HE2 LYS 55 HE2 LYS 55 -1.444 -19.745 -0.372 254 HE3 LYS 55 HE1 LYS 55 -0.480 -20.994 0.416 255 HZ1 LYS 55 HZ1 LYS 55 -1.956 -19.903 1.980 256 HZ2 LYS 55 HZ2 LYS 55 -1.270 -18.399 1.627 257 HZ3 LYS 55 HZ3 LYS 55 -0.341 -19.593 2.382 Start of MODEL 12 1 H1 SER 26 HT1 SER 26 -2.625 32.201 1.472 2 H2 SER 26 HT2 SER 26 -2.555 33.044 2.936 3 H3 SER 26 HT3 SER 26 -3.876 32.044 2.600 4 HA SER 26 HA SER 26 -1.077 31.157 2.982 5 HB2 SER 26 HB2 SER 26 -1.955 30.096 5.045 6 HB3 SER 26 HB1 SER 26 -2.108 31.851 5.085 7 HG SER 26 HG SER 26 -4.083 31.257 5.653 8 H ASN 27 HN ASN 27 -0.963 29.811 1.215 9 HA ASN 27 HA ASN 27 -2.675 27.436 1.353 10 HB2 ASN 27 HB2 ASN 27 -2.923 27.394 -1.083 11 HB3 ASN 27 HB1 ASN 27 -3.607 28.872 -0.412 12 HD21 ASN 27 HD21 ASN 27 -2.580 30.834 -0.785 13 HD22 ASN 27 HD22 ASN 27 -1.388 31.026 -2.021 14 H LYS 28 HN LYS 28 0.225 28.345 1.895 15 HA LYS 28 HA LYS 28 1.591 26.338 0.235 16 HB2 LYS 28 HB2 LYS 28 2.660 28.681 1.814 17 HB3 LYS 28 HB1 LYS 28 3.692 27.458 1.086 18 HG2 LYS 28 HG2 LYS 28 3.683 29.247 -0.425 19 HG3 LYS 28 HG1 LYS 28 2.589 28.051 -1.122 20 HD2 LYS 28 HD2 LYS 28 0.673 29.286 -0.251 21 HD3 LYS 28 HD1 LYS 28 1.756 30.466 0.490 22 HE2 LYS 28 HE2 LYS 28 1.490 29.902 -2.462 23 HE3 LYS 28 HE1 LYS 28 0.841 31.304 -1.612 24 HZ1 LYS 28 HZ1 LYS 28 3.717 30.613 -1.890 25 HZ2 LYS 28 HZ2 LYS 28 3.110 31.942 -1.037 26 HZ3 LYS 28 HZ3 LYS 28 2.906 31.849 -2.713 27 H GLY 29 HN GLY 29 0.808 27.246 3.515 28 HA2 GLY 29 HA2 GLY 29 2.526 25.249 4.703 29 HA3 GLY 29 HA1 GLY 29 1.370 26.268 5.546 30 H ALA 30 HN ALA 30 -0.803 25.442 3.681 31 HA ALA 30 HA ALA 30 -1.636 23.126 5.175 32 HB1 ALA 30 HB1 ALA 30 -3.210 24.927 4.654 33 HB2 ALA 30 HB2 ALA 30 -3.755 23.377 4.011 34 HB3 ALA 30 HB3 ALA 30 -3.036 24.575 2.934 35 H ILE 31 HN ILE 31 -0.659 23.812 1.857 36 HA ILE 31 HA ILE 31 -1.403 21.386 0.684 37 HB ILE 31 HB ILE 31 -0.705 23.330 -0.631 38 HG12 ILE 31 HG12 ILE 31 0.819 22.114 -2.238 39 HG13 ILE 31 HG11 ILE 31 0.919 20.813 -1.053 40 HG21 ILE 31 HG21 ILE 31 2.057 22.713 0.402 41 HG22 ILE 31 HG22 ILE 31 1.091 24.142 0.768 42 HG23 ILE 31 HG23 ILE 31 1.681 23.872 -0.873 43 HD11 ILE 31 HD11 ILE 31 -0.700 20.310 -2.785 44 HD12 ILE 31 HD12 ILE 31 -1.591 21.783 -2.400 45 HD13 ILE 31 HD13 ILE 31 -1.490 20.479 -1.217 46 H ILE 32 HN ILE 32 1.299 22.195 2.725 47 HA ILE 32 HA ILE 32 3.052 20.107 2.109 48 HB ILE 32 HB ILE 32 2.583 21.391 4.806 49 HG12 ILE 32 HG12 ILE 32 4.623 22.055 2.668 50 HG13 ILE 32 HG11 ILE 32 3.151 22.976 2.967 51 HG21 ILE 32 HG21 ILE 32 4.920 19.791 3.766 52 HG22 ILE 32 HG22 ILE 32 3.797 19.310 5.037 53 HG23 ILE 32 HG23 ILE 32 4.891 20.669 5.297 54 HD11 ILE 32 HD11 ILE 32 5.394 22.579 4.934 55 HD12 ILE 32 HD12 ILE 32 3.940 23.543 5.191 56 HD13 ILE 32 HD13 ILE 32 5.113 24.026 3.966 57 H GLY 33 HN GLY 33 0.172 20.178 4.117 58 HA2 GLY 33 HA2 GLY 33 0.573 17.656 5.366 59 HA3 GLY 33 HA1 GLY 33 -0.953 18.522 5.250 60 H LEU 34 HN LEU 34 -0.545 18.573 2.233 61 HA LEU 34 HA LEU 34 -1.819 15.999 1.755 62 HB2 LEU 34 HB2 LEU 34 -1.481 18.475 0.073 63 HB3 LEU 34 HB1 LEU 34 -2.148 16.988 -0.569 64 HG LEU 34 HG LEU 34 -3.932 17.130 1.209 65 HD11 LEU 34 HD11 LEU 34 -2.810 18.613 2.764 66 HD12 LEU 34 HD12 LEU 34 -4.322 19.338 2.214 67 HD13 LEU 34 HD13 LEU 34 -2.784 19.896 1.555 68 HD21 LEU 34 HD21 LEU 34 -4.337 17.766 -1.112 69 HD22 LEU 34 HD22 LEU 34 -3.760 19.397 -0.772 70 HD23 LEU 34 HD23 LEU 34 -5.230 18.804 -0.003 71 H MET 35 HN MET 35 1.256 17.017 1.877 72 HA MET 35 HA MET 35 2.263 15.820 -0.549 73 HB2 MET 35 HB2 MET 35 3.358 17.781 0.498 74 HB3 MET 35 HB1 MET 35 3.757 16.790 1.894 75 HG2 MET 35 HG2 MET 35 5.143 15.358 0.501 76 HG3 MET 35 HG1 MET 35 4.722 16.317 -0.916 77 HE1 MET 35 HE1 MET 35 7.295 16.716 -1.509 78 HE2 MET 35 HE2 MET 35 7.700 15.680 -0.141 79 HE3 MET 35 HE3 MET 35 8.481 17.251 -0.320 80 H VAL 36 HN VAL 36 2.365 15.074 2.926 81 HA VAL 36 HA VAL 36 3.754 12.615 2.611 82 HB VAL 36 HB VAL 36 3.092 12.156 4.939 83 HG11 VAL 36 HG11 VAL 36 4.044 14.981 4.480 84 HG12 VAL 36 HG12 VAL 36 5.053 13.534 4.489 85 HG13 VAL 36 HG13 VAL 36 4.243 14.053 5.966 86 HG21 VAL 36 HG21 VAL 36 1.798 13.838 6.188 87 HG22 VAL 36 HG22 VAL 36 0.849 13.069 4.917 88 HG23 VAL 36 HG23 VAL 36 1.487 14.696 4.678 89 H GLY 37 HN GLY 37 0.496 13.537 2.146 90 HA2 GLY 37 HA2 GLY 37 -0.755 11.039 2.718 91 HA3 GLY 37 HA1 GLY 37 -1.446 12.351 1.778 92 H GLY 38 HN GLY 38 1.149 12.127 0.091 93 HA2 GLY 38 HA2 GLY 38 -0.003 10.225 -1.789 94 HA3 GLY 38 HA1 GLY 38 1.303 11.352 -2.117 95 H VAL 39 HN VAL 39 2.774 10.514 0.303 96 HA VAL 39 HA VAL 39 4.110 8.234 -0.890 97 HB VAL 39 HB VAL 39 5.838 8.577 0.790 98 HG11 VAL 39 HG11 VAL 39 6.556 10.817 0.133 99 HG12 VAL 39 HG12 VAL 39 4.930 11.175 -0.446 100 HG13 VAL 39 HG13 VAL 39 5.896 9.932 -1.243 101 HG21 VAL 39 HG21 VAL 39 4.435 9.196 2.682 102 HG22 VAL 39 HG22 VAL 39 4.019 10.720 1.895 103 HG23 VAL 39 HG23 VAL 39 5.679 10.418 2.409 104 H VAL 40 HN VAL 40 2.053 8.927 1.839 105 HA VAL 40 HA VAL 40 2.605 6.581 3.333 106 HB VAL 40 HB VAL 40 1.519 8.566 4.320 107 HG11 VAL 40 HG11 VAL 40 -0.845 9.004 3.934 108 HG12 VAL 40 HG12 VAL 40 -0.899 7.713 2.733 109 HG13 VAL 40 HG13 VAL 40 0.074 9.152 2.435 110 HG21 VAL 40 HG21 VAL 40 1.326 6.419 5.442 111 HG22 VAL 40 HG22 VAL 40 -0.109 6.032 4.494 112 HG23 VAL 40 HG23 VAL 40 -0.152 7.358 5.655 113 H ILE 41 HN ILE 41 0.360 7.340 0.744 114 HA ILE 41 HA ILE 41 -1.026 4.814 0.952 115 HB ILE 41 HB ILE 41 -1.153 6.892 -1.240 116 HG12 ILE 41 HG12 ILE 41 -3.016 6.458 1.106 117 HG13 ILE 41 HG11 ILE 41 -1.808 7.735 1.012 118 HG21 ILE 41 HG21 ILE 41 -3.303 5.816 -1.794 119 HG22 ILE 41 HG22 ILE 41 -2.971 4.575 -0.586 120 HG23 ILE 41 HG23 ILE 41 -1.931 4.729 -2.002 121 HD11 ILE 41 HD11 ILE 41 -4.161 7.392 -0.831 122 HD12 ILE 41 HD12 ILE 41 -2.952 8.674 -0.925 123 HD13 ILE 41 HD13 ILE 41 -4.019 8.570 0.474 124 H ALA 42 HN ALA 42 1.699 6.109 -0.736 125 HA ALA 42 HA ALA 42 1.760 4.118 -2.807 126 HB1 ALA 42 HB1 ALA 42 3.926 6.009 -1.895 127 HB2 ALA 42 HB2 ALA 42 2.721 6.350 -3.136 128 HB3 ALA 42 HB3 ALA 42 3.916 5.079 -3.393 129 H THR 43 HN THR 43 2.919 4.371 0.443 130 HA THR 43 HA THR 43 4.865 2.250 0.161 131 HB THR 43 HB THR 43 3.844 3.609 2.662 132 HG1 THR 43 HG1 THR 43 5.114 5.166 2.019 133 HG21 THR 43 HG21 THR 43 4.804 1.417 3.141 134 HG22 THR 43 HG22 THR 43 5.877 2.697 3.708 135 HG23 THR 43 HG23 THR 43 6.247 1.833 2.217 136 H VAL 44 HN VAL 44 1.685 2.681 1.688 137 HA VAL 44 HA VAL 44 1.476 0.146 2.851 138 HB VAL 44 HB VAL 44 -0.068 1.981 3.381 139 HG11 VAL 44 HG11 VAL 44 -1.228 1.460 0.646 140 HG12 VAL 44 HG12 VAL 44 -0.343 2.902 1.140 141 HG13 VAL 44 HG13 VAL 44 -1.908 2.537 1.868 142 HG21 VAL 44 HG21 VAL 44 -1.400 -0.510 2.327 143 HG22 VAL 44 HG22 VAL 44 -2.155 0.656 3.413 144 HG23 VAL 44 HG23 VAL 44 -0.747 -0.264 3.947 145 H THR 45 HN THR 45 0.989 1.201 -0.442 146 HA THR 45 HA THR 45 -0.499 -0.991 -1.388 147 HB THR 45 HB THR 45 1.486 0.708 -2.917 148 HG1 THR 45 HG1 THR 45 -0.318 1.971 -3.406 149 HG21 THR 45 HG21 THR 45 -0.802 -1.009 -3.895 150 HG22 THR 45 HG22 THR 45 0.916 -1.357 -4.100 151 HG23 THR 45 HG23 THR 45 0.199 0.043 -4.897 152 H VAL 46 HN VAL 46 3.008 -0.388 -1.436 153 HA VAL 46 HA VAL 46 3.783 -2.782 -2.648 154 HB VAL 46 HB VAL 46 5.368 -1.276 -0.564 155 HG11 VAL 46 HG11 VAL 46 6.224 -3.030 -2.862 156 HG12 VAL 46 HG12 VAL 46 6.304 -3.441 -1.150 157 HG13 VAL 46 HG13 VAL 46 7.307 -2.140 -1.794 158 HG21 VAL 46 HG21 VAL 46 6.307 0.002 -2.446 159 HG22 VAL 46 HG22 VAL 46 4.580 0.287 -2.240 160 HG23 VAL 46 HG23 VAL 46 5.151 -0.771 -3.530 161 H ILE 47 HN ILE 47 2.944 -2.047 0.663 162 HA ILE 47 HA ILE 47 3.974 -4.458 1.792 163 HB ILE 47 HB ILE 47 1.864 -2.597 2.890 164 HG12 ILE 47 HG12 ILE 47 4.830 -2.671 3.480 165 HG13 ILE 47 HG11 ILE 47 4.077 -1.534 2.370 166 HG21 ILE 47 HG21 ILE 47 3.576 -4.661 4.274 167 HG22 ILE 47 HG22 ILE 47 1.844 -4.787 3.964 168 HG23 ILE 47 HG23 ILE 47 2.454 -3.551 5.066 169 HD11 ILE 47 HD11 ILE 47 3.531 -1.764 5.319 170 HD12 ILE 47 HD12 ILE 47 2.737 -0.641 4.215 171 HD13 ILE 47 HD13 ILE 47 4.469 -0.503 4.519 172 H THR 48 HN THR 48 0.853 -3.447 0.508 173 HA THR 48 HA THR 48 -0.724 -5.560 1.421 174 HB THR 48 HB THR 48 -1.002 -4.113 -1.220 175 HG1 THR 48 HG1 THR 48 -2.057 -2.566 -0.103 176 HG21 THR 48 HG21 THR 48 -3.029 -5.589 0.466 177 HG22 THR 48 HG22 THR 48 -2.380 -6.127 -1.084 178 HG23 THR 48 HG23 THR 48 -3.382 -4.678 -1.002 179 H LEU 49 HN LEU 49 1.459 -5.356 -1.331 180 HA LEU 49 HA LEU 49 0.644 -7.772 -2.579 181 HB2 LEU 49 HB2 LEU 49 3.070 -6.024 -2.775 182 HB3 LEU 49 HB1 LEU 49 3.052 -7.586 -3.569 183 HG LEU 49 HG LEU 49 2.467 -5.810 -5.127 184 HD11 LEU 49 HD11 LEU 49 0.373 -6.729 -5.982 185 HD12 LEU 49 HD12 LEU 49 0.111 -7.563 -4.449 186 HD13 LEU 49 HD13 LEU 49 1.478 -8.004 -5.470 187 HD21 LEU 49 HD21 LEU 49 0.375 -4.552 -4.865 188 HD22 LEU 49 HD22 LEU 49 1.528 -4.202 -3.577 189 HD23 LEU 49 HD23 LEU 49 0.157 -5.267 -3.268 190 H VAL 50 HN VAL 50 2.756 -7.047 0.074 191 HA VAL 50 HA VAL 50 4.149 -9.559 0.036 192 HB VAL 50 HB VAL 50 3.914 -7.576 2.304 193 HG11 VAL 50 HG11 VAL 50 4.686 -9.751 3.042 194 HG12 VAL 50 HG12 VAL 50 6.017 -8.596 3.077 195 HG13 VAL 50 HG13 VAL 50 5.908 -9.775 1.770 196 HG21 VAL 50 HG21 VAL 50 6.002 -7.783 0.136 197 HG22 VAL 50 HG22 VAL 50 6.061 -6.693 1.521 198 HG23 VAL 50 HG23 VAL 50 4.800 -6.504 0.303 199 H MET 51 HN MET 51 1.201 -8.350 1.414 200 HA MET 51 HA MET 51 0.853 -10.199 3.498 201 HB2 MET 51 HB2 MET 51 -0.502 -8.139 3.184 202 HB3 MET 51 HB1 MET 51 -1.296 -8.902 1.813 203 HG2 MET 51 HG2 MET 51 -2.100 -10.685 3.336 204 HG3 MET 51 HG1 MET 51 -1.405 -9.789 4.685 205 HE1 MET 51 HE1 MET 51 -4.185 -9.912 1.943 206 HE2 MET 51 HE2 MET 51 -3.278 -8.476 1.464 207 HE3 MET 51 HE3 MET 51 -4.921 -8.315 2.085 208 H LEU 52 HN LEU 52 -0.121 -10.325 0.086 209 HA LEU 52 HA LEU 52 -1.258 -12.964 0.401 210 HB2 LEU 52 HB2 LEU 52 -1.645 -12.823 -2.043 211 HB3 LEU 52 HB1 LEU 52 -2.347 -11.495 -1.140 212 HG LEU 52 HG LEU 52 -0.103 -10.274 -1.800 213 HD11 LEU 52 HD11 LEU 52 0.952 -12.199 -2.844 214 HD12 LEU 52 HD12 LEU 52 0.663 -10.930 -4.032 215 HD13 LEU 52 HD13 LEU 52 -0.391 -12.340 -3.976 216 HD21 LEU 52 HD21 LEU 52 -1.234 -9.391 -3.782 217 HD22 LEU 52 HD22 LEU 52 -2.342 -9.546 -2.418 218 HD23 LEU 52 HD23 LEU 52 -2.379 -10.730 -3.724 219 H LYS 53 HN LYS 53 1.781 -11.591 -0.456 220 HA LYS 53 HA LYS 53 2.823 -13.708 -2.006 221 HB2 LYS 53 HB2 LYS 53 3.850 -11.479 -1.949 222 HB3 LYS 53 HB1 LYS 53 4.275 -11.709 -0.258 223 HG2 LYS 53 HG2 LYS 53 5.732 -13.579 -0.891 224 HG3 LYS 53 HG1 LYS 53 5.326 -13.305 -2.586 225 HD2 LYS 53 HD2 LYS 53 6.291 -11.074 -2.479 226 HD3 LYS 53 HD1 LYS 53 6.648 -11.295 -0.765 227 HE2 LYS 53 HE2 LYS 53 7.789 -12.927 -3.030 228 HE3 LYS 53 HE1 LYS 53 8.632 -11.650 -2.155 229 HZ1 LYS 53 HZ1 LYS 53 7.627 -14.185 -0.976 230 HZ2 LYS 53 HZ2 LYS 53 8.425 -12.957 -0.129 231 HZ3 LYS 53 HZ3 LYS 53 9.245 -13.828 -1.326 232 H LYS 54 HN LYS 54 2.432 -13.255 1.418 233 HA LYS 54 HA LYS 54 4.303 -15.044 2.428 234 HB2 LYS 54 HB2 LYS 54 2.913 -13.532 3.810 235 HB3 LYS 54 HB1 LYS 54 1.510 -14.535 3.470 236 HG2 LYS 54 HG2 LYS 54 2.364 -15.054 5.657 237 HG3 LYS 54 HG1 LYS 54 2.624 -16.427 4.583 238 HD2 LYS 54 HD2 LYS 54 4.597 -16.078 5.930 239 HD3 LYS 54 HD1 LYS 54 4.959 -15.681 4.250 240 HE2 LYS 54 HE2 LYS 54 5.916 -14.032 5.775 241 HE3 LYS 54 HE1 LYS 54 4.682 -13.306 4.745 242 HZ1 LYS 54 HZ1 LYS 54 3.110 -13.477 6.574 243 HZ2 LYS 54 HZ2 LYS 54 4.463 -12.573 7.033 244 HZ3 LYS 54 HZ3 LYS 54 4.295 -14.170 7.562 245 H LYS 55 HN LYS 55 1.192 -15.599 0.939 246 HA LYS 55 HA LYS 55 0.083 -17.471 0.287 247 HB2 LYS 55 HB2 LYS 55 2.527 -17.650 -0.756 248 HB3 LYS 55 HB1 LYS 55 2.598 -19.065 0.285 249 HG2 LYS 55 HG2 LYS 55 1.889 -19.783 -1.866 250 HG3 LYS 55 HG1 LYS 55 0.493 -19.868 -0.790 251 HD2 LYS 55 HD2 LYS 55 -0.262 -18.909 -2.832 252 HD3 LYS 55 HD1 LYS 55 -0.180 -17.602 -1.650 253 HE2 LYS 55 HE2 LYS 55 2.031 -16.970 -2.559 254 HE3 LYS 55 HE1 LYS 55 1.857 -18.224 -3.787 255 HZ1 LYS 55 HZ1 LYS 55 0.055 -15.888 -3.434 256 HZ2 LYS 55 HZ2 LYS 55 -0.110 -17.088 -4.615 257 HZ3 LYS 55 HZ3 LYS 55 1.230 -16.055 -4.641 Start of MODEL 13 1 H1 SER 26 HT1 SER 26 -6.588 26.630 -7.362 2 H2 SER 26 HT2 SER 26 -5.170 26.288 -6.504 3 H3 SER 26 HT3 SER 26 -6.673 26.163 -5.737 4 HA SER 26 HA SER 26 -5.790 23.989 -6.287 5 HB2 SER 26 HB2 SER 26 -8.207 24.802 -7.922 6 HB3 SER 26 HB1 SER 26 -7.780 23.146 -7.488 7 HG SER 26 HG SER 26 -8.638 23.461 -5.603 8 H ASN 27 HN ASN 27 -4.006 25.504 -7.761 9 HA ASN 27 HA ASN 27 -3.983 24.027 -10.304 10 HB2 ASN 27 HB2 ASN 27 -3.180 26.920 -9.926 11 HB3 ASN 27 HB1 ASN 27 -2.996 25.998 -11.415 12 HD21 ASN 27 HD21 ASN 27 -4.803 25.498 -12.637 13 HD22 ASN 27 HD22 ASN 27 -6.324 26.281 -12.398 14 H LYS 28 HN LYS 28 -2.034 25.904 -7.999 15 HA LYS 28 HA LYS 28 0.238 24.128 -8.610 16 HB2 LYS 28 HB2 LYS 28 1.729 25.976 -8.008 17 HB3 LYS 28 HB1 LYS 28 0.669 26.422 -9.340 18 HG2 LYS 28 HG2 LYS 28 -0.783 27.623 -7.763 19 HG3 LYS 28 HG1 LYS 28 0.324 27.211 -6.454 20 HD2 LYS 28 HD2 LYS 28 1.068 28.802 -8.908 21 HD3 LYS 28 HD1 LYS 28 0.666 29.500 -7.338 22 HE2 LYS 28 HE2 LYS 28 2.960 27.630 -7.924 23 HE3 LYS 28 HE1 LYS 28 3.080 29.364 -7.638 24 HZ1 LYS 28 HZ1 LYS 28 2.235 29.020 -5.402 25 HZ2 LYS 28 HZ2 LYS 28 3.630 28.096 -5.657 26 HZ3 LYS 28 HZ3 LYS 28 2.112 27.353 -5.678 27 H GLY 29 HN GLY 29 -1.689 25.677 -6.146 28 HA2 GLY 29 HA2 GLY 29 -0.010 24.790 -3.968 29 HA3 GLY 29 HA1 GLY 29 -1.570 25.584 -3.828 30 H ALA 30 HN ALA 30 -2.671 23.500 -5.751 31 HA ALA 30 HA ALA 30 -3.567 21.695 -3.715 32 HB1 ALA 30 HB1 ALA 30 -4.094 21.682 -6.682 33 HB2 ALA 30 HB2 ALA 30 -5.081 22.476 -5.455 34 HB3 ALA 30 HB3 ALA 30 -4.948 20.716 -5.478 35 H ILE 31 HN ILE 31 -1.476 21.424 -6.564 36 HA ILE 31 HA ILE 31 -1.113 18.643 -6.483 37 HB ILE 31 HB ILE 31 -0.471 19.986 -8.427 38 HG12 ILE 31 HG12 ILE 31 1.990 18.638 -7.309 39 HG13 ILE 31 HG11 ILE 31 0.593 17.739 -7.891 40 HG21 ILE 31 HG21 ILE 31 0.394 21.944 -7.291 41 HG22 ILE 31 HG22 ILE 31 1.604 21.299 -8.399 42 HG23 ILE 31 HG23 ILE 31 1.752 21.009 -6.666 43 HD11 ILE 31 HD11 ILE 31 2.329 17.862 -9.580 44 HD12 ILE 31 HD12 ILE 31 2.285 19.624 -9.517 45 HD13 ILE 31 HD13 ILE 31 0.885 18.726 -10.105 46 H ILE 32 HN ILE 32 0.263 21.194 -4.574 47 HA ILE 32 HA ILE 32 2.606 19.973 -3.668 48 HB ILE 32 HB ILE 32 0.779 21.823 -2.126 49 HG12 ILE 32 HG12 ILE 32 3.228 22.443 -3.798 50 HG13 ILE 32 HG11 ILE 32 1.567 22.727 -4.302 51 HG21 ILE 32 HG21 ILE 32 2.318 20.677 -0.648 52 HG22 ILE 32 HG22 ILE 32 2.796 22.365 -0.820 53 HG23 ILE 32 HG23 ILE 32 3.676 21.107 -1.687 54 HD11 ILE 32 HD11 ILE 32 2.918 24.014 -1.941 55 HD12 ILE 32 HD12 ILE 32 1.277 24.333 -2.507 56 HD13 ILE 32 HD13 ILE 32 2.656 24.765 -3.517 57 H GLY 33 HN GLY 33 -0.730 19.438 -2.802 58 HA2 GLY 33 HA2 GLY 33 -0.165 17.976 -0.397 59 HA3 GLY 33 HA1 GLY 33 -1.714 18.071 -1.221 60 H LEU 34 HN LEU 34 -0.227 17.202 -3.752 61 HA LEU 34 HA LEU 34 -0.704 14.387 -3.383 62 HB2 LEU 34 HB2 LEU 34 0.414 15.779 -5.815 63 HB3 LEU 34 HB1 LEU 34 -0.330 14.191 -5.752 64 HG LEU 34 HG LEU 34 -1.754 16.813 -5.280 65 HD11 LEU 34 HD11 LEU 34 -1.108 16.488 -7.612 66 HD12 LEU 34 HD12 LEU 34 -2.855 16.353 -7.402 67 HD13 LEU 34 HD13 LEU 34 -1.876 14.899 -7.606 68 HD21 LEU 34 HD21 LEU 34 -3.794 15.430 -5.336 69 HD22 LEU 34 HD22 LEU 34 -2.751 15.042 -3.968 70 HD23 LEU 34 HD23 LEU 34 -2.790 13.983 -5.379 71 H MET 35 HN MET 35 1.879 16.341 -2.752 72 HA MET 35 HA MET 35 4.009 14.660 -3.681 73 HB2 MET 35 HB2 MET 35 4.290 17.095 -3.358 74 HB3 MET 35 HB1 MET 35 4.056 16.882 -1.630 75 HG2 MET 35 HG2 MET 35 6.391 17.093 -2.063 76 HG3 MET 35 HG1 MET 35 6.060 15.429 -1.583 77 HE1 MET 35 HE1 MET 35 6.884 16.770 -5.922 78 HE2 MET 35 HE2 MET 35 6.949 17.852 -4.531 79 HE3 MET 35 HE3 MET 35 5.403 17.181 -5.054 80 H VAL 36 HN VAL 36 2.786 15.459 -0.423 81 HA VAL 36 HA VAL 36 4.243 13.229 0.720 82 HB VAL 36 HB VAL 36 3.327 13.988 2.871 83 HG11 VAL 36 HG11 VAL 36 4.457 16.164 2.944 84 HG12 VAL 36 HG12 VAL 36 4.479 16.207 1.182 85 HG13 VAL 36 HG13 VAL 36 5.394 14.971 2.046 86 HG21 VAL 36 HG21 VAL 36 1.995 16.047 2.979 87 HG22 VAL 36 HG22 VAL 36 1.149 14.763 2.115 88 HG23 VAL 36 HG23 VAL 36 1.910 16.076 1.217 89 H GLY 37 HN GLY 37 1.074 13.887 -0.452 90 HA2 GLY 37 HA2 GLY 37 -0.195 11.758 1.043 91 HA3 GLY 37 HA1 GLY 37 -0.939 12.746 -0.205 92 H GLY 38 HN GLY 38 1.635 11.967 -1.817 93 HA2 GLY 38 HA2 GLY 38 0.368 9.622 -3.018 94 HA3 GLY 38 HA1 GLY 38 1.625 10.610 -3.747 95 H VAL 39 HN VAL 39 3.058 10.374 -1.014 96 HA VAL 39 HA VAL 39 4.565 8.018 -1.773 97 HB VAL 39 HB VAL 39 6.141 8.672 -0.018 98 HG11 VAL 39 HG11 VAL 39 6.846 10.819 -0.979 99 HG12 VAL 39 HG12 VAL 39 5.282 10.964 -1.781 100 HG13 VAL 39 HG13 VAL 39 6.384 9.657 -2.222 101 HG21 VAL 39 HG21 VAL 39 4.169 10.881 0.561 102 HG22 VAL 39 HG22 VAL 39 5.798 10.772 1.227 103 HG23 VAL 39 HG23 VAL 39 4.596 9.546 1.632 104 H VAL 40 HN VAL 40 2.437 9.038 0.835 105 HA VAL 40 HA VAL 40 2.962 6.830 2.548 106 HB VAL 40 HB VAL 40 0.503 8.581 2.442 107 HG11 VAL 40 HG11 VAL 40 1.574 6.806 4.633 108 HG12 VAL 40 HG12 VAL 40 0.117 6.527 3.680 109 HG13 VAL 40 HG13 VAL 40 0.199 7.900 4.780 110 HG21 VAL 40 HG21 VAL 40 3.021 8.859 4.083 111 HG22 VAL 40 HG22 VAL 40 1.581 9.870 4.222 112 HG23 VAL 40 HG23 VAL 40 2.536 9.894 2.739 113 H ILE 41 HN ILE 41 0.278 7.539 0.311 114 HA ILE 41 HA ILE 41 -1.095 5.116 0.707 115 HB ILE 41 HB ILE 41 -1.114 6.815 -1.789 116 HG12 ILE 41 HG12 ILE 41 -2.898 7.000 0.649 117 HG13 ILE 41 HG11 ILE 41 -1.576 8.108 0.293 118 HG21 ILE 41 HG21 ILE 41 -3.364 5.890 -2.103 119 HG22 ILE 41 HG22 ILE 41 -3.142 4.884 -0.670 120 HG23 ILE 41 HG23 ILE 41 -2.133 4.628 -2.093 121 HD11 ILE 41 HD11 ILE 41 -3.699 9.079 -0.331 122 HD12 ILE 41 HD12 ILE 41 -4.051 7.696 -1.368 123 HD13 ILE 41 HD13 ILE 41 -2.721 8.783 -1.767 124 H ALA 42 HN ALA 42 1.695 5.912 -1.173 125 HA ALA 42 HA ALA 42 1.523 3.567 -2.858 126 HB1 ALA 42 HB1 ALA 42 3.651 4.313 -3.777 127 HB2 ALA 42 HB2 ALA 42 3.777 5.542 -2.518 128 HB3 ALA 42 HB3 ALA 42 2.495 5.642 -3.723 129 H THR 43 HN THR 43 2.933 4.447 0.176 130 HA THR 43 HA THR 43 4.884 2.341 0.232 131 HB THR 43 HB THR 43 3.801 4.041 2.487 132 HG1 THR 43 HG1 THR 43 5.265 5.459 1.884 133 HG21 THR 43 HG21 THR 43 4.760 1.975 3.344 134 HG22 THR 43 HG22 THR 43 5.829 3.333 3.697 135 HG23 THR 43 HG23 THR 43 6.216 2.229 2.378 136 H VAL 44 HN VAL 44 1.610 2.794 1.479 137 HA VAL 44 HA VAL 44 1.547 0.437 3.053 138 HB VAL 44 HB VAL 44 -0.049 2.292 3.368 139 HG11 VAL 44 HG11 VAL 44 -0.451 2.872 1.045 140 HG12 VAL 44 HG12 VAL 44 -1.972 2.510 1.859 141 HG13 VAL 44 HG13 VAL 44 -1.249 1.322 0.777 142 HG21 VAL 44 HG21 VAL 44 -2.056 0.899 3.697 143 HG22 VAL 44 HG22 VAL 44 -0.587 0.113 4.274 144 HG23 VAL 44 HG23 VAL 44 -1.304 -0.379 2.740 145 H THR 45 HN THR 45 1.009 1.070 -0.329 146 HA THR 45 HA THR 45 -0.430 -1.257 -0.994 147 HB THR 45 HB THR 45 1.505 0.242 -2.770 148 HG1 THR 45 HG1 THR 45 0.005 1.739 -2.956 149 HG21 THR 45 HG21 THR 45 -0.894 -1.473 -3.428 150 HG22 THR 45 HG22 THR 45 0.795 -1.922 -3.670 151 HG23 THR 45 HG23 THR 45 0.095 -0.592 -4.592 152 H VAL 46 HN VAL 46 2.961 -0.662 -0.448 153 HA VAL 46 HA VAL 46 3.993 -2.979 -1.698 154 HB VAL 46 HB VAL 46 5.160 -1.468 0.646 155 HG11 VAL 46 HG11 VAL 46 6.458 -3.279 -1.387 156 HG12 VAL 46 HG12 VAL 46 6.193 -3.645 0.318 157 HG13 VAL 46 HG13 VAL 46 7.302 -2.356 -0.145 158 HG21 VAL 46 HG21 VAL 46 5.551 -1.054 -2.317 159 HG22 VAL 46 HG22 VAL 46 6.447 -0.231 -1.041 160 HG23 VAL 46 HG23 VAL 46 4.714 0.035 -1.211 161 H ILE 47 HN ILE 47 2.768 -2.340 1.542 162 HA ILE 47 HA ILE 47 3.565 -4.844 2.649 163 HB ILE 47 HB ILE 47 1.373 -3.005 3.618 164 HG12 ILE 47 HG12 ILE 47 4.285 -3.072 4.440 165 HG13 ILE 47 HG11 ILE 47 3.589 -1.880 3.347 166 HG21 ILE 47 HG21 ILE 47 2.993 -5.098 5.067 167 HG22 ILE 47 HG22 ILE 47 1.302 -5.249 4.586 168 HG23 ILE 47 HG23 ILE 47 1.772 -4.049 5.790 169 HD11 ILE 47 HD11 ILE 47 3.816 -0.993 5.592 170 HD12 ILE 47 HD12 ILE 47 2.816 -2.302 6.225 171 HD13 ILE 47 HD13 ILE 47 2.117 -1.106 5.131 172 H THR 48 HN THR 48 0.609 -3.630 1.150 173 HA THR 48 HA THR 48 -0.951 -5.953 1.707 174 HB THR 48 HB THR 48 -1.414 -3.888 -0.455 175 HG1 THR 48 HG1 THR 48 -1.243 -2.984 1.690 176 HG21 THR 48 HG21 THR 48 -3.768 -4.546 -0.218 177 HG22 THR 48 HG22 THR 48 -3.304 -5.775 0.959 178 HG23 THR 48 HG23 THR 48 -2.764 -5.908 -0.715 179 H LEU 49 HN LEU 49 1.348 -5.097 -0.720 180 HA LEU 49 HA LEU 49 0.478 -7.038 -2.659 181 HB2 LEU 49 HB2 LEU 49 1.628 -4.984 -3.338 182 HB3 LEU 49 HB1 LEU 49 3.053 -5.477 -2.445 183 HG LEU 49 HG LEU 49 3.252 -7.452 -3.966 184 HD11 LEU 49 HD11 LEU 49 2.016 -7.403 -6.081 185 HD12 LEU 49 HD12 LEU 49 1.076 -6.030 -5.493 186 HD13 LEU 49 HD13 LEU 49 0.940 -7.597 -4.696 187 HD21 LEU 49 HD21 LEU 49 4.595 -5.460 -4.321 188 HD22 LEU 49 HD22 LEU 49 3.293 -4.727 -5.257 189 HD23 LEU 49 HD23 LEU 49 4.117 -6.162 -5.867 190 H VAL 50 HN VAL 50 3.020 -6.824 -0.214 191 HA VAL 50 HA VAL 50 4.200 -9.342 -0.895 192 HB VAL 50 HB VAL 50 5.484 -7.537 0.198 193 HG11 VAL 50 HG11 VAL 50 5.211 -7.149 2.612 194 HG12 VAL 50 HG12 VAL 50 3.785 -8.186 2.603 195 HG13 VAL 50 HG13 VAL 50 3.781 -6.676 1.693 196 HG21 VAL 50 HG21 VAL 50 5.326 -10.102 1.780 197 HG22 VAL 50 HG22 VAL 50 6.666 -8.957 1.817 198 HG23 VAL 50 HG23 VAL 50 6.290 -9.826 0.329 199 H MET 51 HN MET 51 1.604 -8.312 1.154 200 HA MET 51 HA MET 51 1.531 -10.491 2.940 201 HB2 MET 51 HB2 MET 51 0.297 -8.414 3.341 202 HB3 MET 51 HB1 MET 51 -0.727 -8.738 1.951 203 HG2 MET 51 HG2 MET 51 -1.540 -10.783 3.074 204 HG3 MET 51 HG1 MET 51 -0.576 -10.354 4.485 205 HE1 MET 51 HE1 MET 51 -2.279 -7.005 5.621 206 HE2 MET 51 HE2 MET 51 -0.897 -7.187 4.541 207 HE3 MET 51 HE3 MET 51 -1.028 -8.195 5.983 208 H LEU 52 HN LEU 52 -0.249 -9.899 -0.085 209 HA LEU 52 HA LEU 52 -1.446 -12.504 -0.072 210 HB2 LEU 52 HB2 LEU 52 -2.219 -11.867 -2.356 211 HB3 LEU 52 HB1 LEU 52 -2.678 -10.744 -1.092 212 HG LEU 52 HG LEU 52 -0.517 -9.458 -1.859 213 HD11 LEU 52 HD11 LEU 52 -1.225 -11.075 -4.302 214 HD12 LEU 52 HD12 LEU 52 0.300 -11.109 -3.416 215 HD13 LEU 52 HD13 LEU 52 -0.176 -9.657 -4.294 216 HD21 LEU 52 HD21 LEU 52 -3.085 -9.471 -3.436 217 HD22 LEU 52 HD22 LEU 52 -1.890 -8.174 -3.432 218 HD23 LEU 52 HD23 LEU 52 -2.773 -8.566 -1.955 219 H LYS 53 HN LYS 53 1.548 -11.231 -1.094 220 HA LYS 53 HA LYS 53 2.168 -12.848 -3.283 221 HB2 LYS 53 HB2 LYS 53 3.519 -10.915 -2.580 222 HB3 LYS 53 HB1 LYS 53 4.038 -11.798 -1.152 223 HG2 LYS 53 HG2 LYS 53 5.785 -11.878 -2.781 224 HG3 LYS 53 HG1 LYS 53 5.081 -13.490 -2.637 225 HD2 LYS 53 HD2 LYS 53 3.654 -12.923 -4.637 226 HD3 LYS 53 HD1 LYS 53 4.635 -11.467 -4.827 227 HE2 LYS 53 HE2 LYS 53 5.447 -13.242 -6.277 228 HE3 LYS 53 HE1 LYS 53 6.643 -12.859 -5.037 229 HZ1 LYS 53 HZ1 LYS 53 5.889 -14.785 -3.778 230 HZ2 LYS 53 HZ2 LYS 53 6.416 -15.238 -5.319 231 HZ3 LYS 53 HZ3 LYS 53 4.761 -15.156 -4.984 232 H LYS 54 HN LYS 54 1.762 -13.676 0.002 233 HA LYS 54 HA LYS 54 3.501 -15.801 0.376 234 HB2 LYS 54 HB2 LYS 54 1.860 -16.662 1.996 235 HB3 LYS 54 HB1 LYS 54 2.098 -14.928 2.167 236 HG2 LYS 54 HG2 LYS 54 0.028 -14.523 0.927 237 HG3 LYS 54 HG1 LYS 54 -0.213 -16.265 0.772 238 HD2 LYS 54 HD2 LYS 54 -0.001 -14.808 3.404 239 HD3 LYS 54 HD1 LYS 54 -1.526 -15.208 2.612 240 HE2 LYS 54 HE2 LYS 54 -0.928 -17.591 2.701 241 HE3 LYS 54 HE1 LYS 54 0.576 -17.173 3.521 242 HZ1 LYS 54 HZ1 LYS 54 -1.138 -17.889 5.077 243 HZ2 LYS 54 HZ2 LYS 54 -2.153 -16.637 4.565 244 HZ3 LYS 54 HZ3 LYS 54 -0.701 -16.276 5.355 245 H LYS 55 HN LYS 55 0.743 -15.563 -1.676 246 HA LYS 55 HA LYS 55 0.140 -18.313 -1.946 247 HB2 LYS 55 HB2 LYS 55 -0.315 -16.031 -3.879 248 HB3 LYS 55 HB1 LYS 55 -1.053 -17.624 -3.996 249 HG2 LYS 55 HG2 LYS 55 -2.312 -17.281 -2.014 250 HG3 LYS 55 HG1 LYS 55 -1.414 -15.813 -1.626 251 HD2 LYS 55 HD2 LYS 55 -2.347 -14.702 -3.573 252 HD3 LYS 55 HD1 LYS 55 -3.190 -16.180 -4.038 253 HE2 LYS 55 HE2 LYS 55 -4.682 -14.585 -2.915 254 HE3 LYS 55 HE1 LYS 55 -4.520 -16.089 -2.009 255 HZ1 LYS 55 HZ1 LYS 55 -3.074 -13.560 -1.424 256 HZ2 LYS 55 HZ2 LYS 55 -2.940 -14.999 -0.546 257 HZ3 LYS 55 HZ3 LYS 55 -4.405 -14.154 -0.564 Start of MODEL 14 1 H1 SER 26 HT1 SER 26 -6.241 31.086 -10.269 2 H2 SER 26 HT2 SER 26 -6.912 30.093 -9.073 3 H3 SER 26 HT3 SER 26 -5.961 29.417 -10.298 4 HA SER 26 HA SER 26 -4.015 30.535 -9.500 5 HB2 SER 26 HB2 SER 26 -4.117 31.822 -7.388 6 HB3 SER 26 HB1 SER 26 -5.108 32.556 -8.650 7 HG SER 26 HG SER 26 -6.697 32.392 -7.303 8 H ASN 27 HN ASN 27 -5.837 28.108 -9.074 9 HA ASN 27 HA ASN 27 -5.235 27.150 -6.450 10 HB2 ASN 27 HB2 ASN 27 -6.101 24.981 -7.316 11 HB3 ASN 27 HB1 ASN 27 -7.204 26.327 -7.588 12 HD21 ASN 27 HD21 ASN 27 -5.045 24.045 -9.054 13 HD22 ASN 27 HD22 ASN 27 -5.542 24.311 -10.685 14 H LYS 28 HN LYS 28 -3.484 26.121 -5.738 15 HA LYS 28 HA LYS 28 -1.724 24.742 -7.604 16 HB2 LYS 28 HB2 LYS 28 -0.818 27.004 -7.573 17 HB3 LYS 28 HB1 LYS 28 -0.785 26.994 -5.816 18 HG2 LYS 28 HG2 LYS 28 0.865 25.168 -5.882 19 HG3 LYS 28 HG1 LYS 28 0.859 25.254 -7.645 20 HD2 LYS 28 HD2 LYS 28 1.674 27.539 -7.561 21 HD3 LYS 28 HD1 LYS 28 1.597 27.527 -5.798 22 HE2 LYS 28 HE2 LYS 28 3.271 25.740 -5.746 23 HE3 LYS 28 HE1 LYS 28 3.348 25.762 -7.506 24 HZ1 LYS 28 HZ1 LYS 28 4.142 28.038 -7.408 25 HZ2 LYS 28 HZ2 LYS 28 5.159 27.021 -6.520 26 HZ3 LYS 28 HZ3 LYS 28 4.057 28.025 -5.718 27 H GLY 29 HN GLY 29 -2.437 25.657 -4.265 28 HA2 GLY 29 HA2 GLY 29 -0.813 23.651 -3.066 29 HA3 GLY 29 HA1 GLY 29 -2.088 24.561 -2.273 30 H ALA 30 HN ALA 30 -3.961 23.593 -4.475 31 HA ALA 30 HA ALA 30 -5.226 21.563 -3.087 32 HB1 ALA 30 HB1 ALA 30 -6.296 22.895 -4.839 33 HB2 ALA 30 HB2 ALA 30 -6.521 21.168 -5.108 34 HB3 ALA 30 HB3 ALA 30 -5.335 22.060 -6.059 35 H ILE 31 HN ILE 31 -2.934 21.276 -5.790 36 HA ILE 31 HA ILE 31 -3.043 18.400 -5.760 37 HB ILE 31 HB ILE 31 -2.614 19.606 -7.851 38 HG12 ILE 31 HG12 ILE 31 -0.587 18.291 -8.566 39 HG13 ILE 31 HG11 ILE 31 -0.372 17.822 -6.882 40 HG21 ILE 31 HG21 ILE 31 -1.358 21.483 -6.989 41 HG22 ILE 31 HG22 ILE 31 -0.428 20.662 -8.241 42 HG23 ILE 31 HG23 ILE 31 -0.025 20.421 -6.541 43 HD11 ILE 31 HD11 ILE 31 -1.487 16.080 -8.150 44 HD12 ILE 31 HD12 ILE 31 -2.771 17.206 -8.594 45 HD13 ILE 31 HD13 ILE 31 -2.556 16.735 -6.909 46 H ILE 32 HN ILE 32 -1.041 20.877 -4.336 47 HA ILE 32 HA ILE 32 1.231 19.355 -3.715 48 HB ILE 32 HB ILE 32 0.044 21.672 -2.179 49 HG12 ILE 32 HG12 ILE 32 0.553 22.208 -4.527 50 HG13 ILE 32 HG11 ILE 32 1.637 23.050 -3.427 51 HG21 ILE 32 HG21 ILE 32 2.337 21.984 -1.312 52 HG22 ILE 32 HG22 ILE 32 2.803 20.462 -2.071 53 HG23 ILE 32 HG23 ILE 32 1.598 20.475 -0.782 54 HD11 ILE 32 HD11 ILE 32 3.386 21.419 -3.894 55 HD12 ILE 32 HD12 ILE 32 2.820 22.201 -5.371 56 HD13 ILE 32 HD13 ILE 32 2.297 20.560 -4.986 57 H GLY 33 HN GLY 33 -1.936 19.439 -2.305 58 HA2 GLY 33 HA2 GLY 33 -1.305 18.370 0.241 59 HA3 GLY 33 HA1 GLY 33 -2.879 18.319 -0.536 60 H LEU 34 HN LEU 34 -1.468 16.931 -2.878 61 HA LEU 34 HA LEU 34 -1.894 14.249 -1.861 62 HB2 LEU 34 HB2 LEU 34 -1.342 15.309 -4.630 63 HB3 LEU 34 HB1 LEU 34 -1.535 13.605 -4.267 64 HG LEU 34 HG LEU 34 -3.838 14.219 -3.344 65 HD11 LEU 34 HD11 LEU 34 -3.237 16.741 -4.878 66 HD12 LEU 34 HD12 LEU 34 -3.536 16.609 -3.145 67 HD13 LEU 34 HD13 LEU 34 -4.829 16.262 -4.291 68 HD21 LEU 34 HD21 LEU 34 -3.271 14.563 -6.284 69 HD22 LEU 34 HD22 LEU 34 -4.844 14.194 -5.575 70 HD23 LEU 34 HD23 LEU 34 -3.523 13.035 -5.441 71 H MET 35 HN MET 35 0.660 16.247 -1.788 72 HA MET 35 HA MET 35 2.774 14.639 -2.787 73 HB2 MET 35 HB2 MET 35 2.982 17.070 -2.420 74 HB3 MET 35 HB1 MET 35 2.857 16.811 -0.684 75 HG2 MET 35 HG2 MET 35 5.161 17.148 -1.343 76 HG3 MET 35 HG1 MET 35 4.922 15.517 -0.720 77 HE1 MET 35 HE1 MET 35 7.486 16.407 -2.352 78 HE2 MET 35 HE2 MET 35 7.696 15.056 -3.465 79 HE3 MET 35 HE3 MET 35 7.262 14.753 -1.783 80 H VAL 36 HN VAL 36 1.753 15.315 0.568 81 HA VAL 36 HA VAL 36 3.384 13.169 1.588 82 HB VAL 36 HB VAL 36 2.393 13.750 3.783 83 HG11 VAL 36 HG11 VAL 36 3.388 15.984 3.950 84 HG12 VAL 36 HG12 VAL 36 3.421 16.095 2.190 85 HG13 VAL 36 HG13 VAL 36 4.403 14.885 3.014 86 HG21 VAL 36 HG21 VAL 36 0.936 15.715 3.960 87 HG22 VAL 36 HG22 VAL 36 0.176 14.422 3.032 88 HG23 VAL 36 HG23 VAL 36 0.866 15.819 2.201 89 H GLY 37 HN GLY 37 0.066 13.622 0.651 90 HA2 GLY 37 HA2 GLY 37 -0.860 11.227 1.993 91 HA3 GLY 37 HA1 GLY 37 -1.802 12.258 0.925 92 H GLY 38 HN GLY 38 0.681 11.934 -0.955 93 HA2 GLY 38 HA2 GLY 38 -0.460 9.657 -2.363 94 HA3 GLY 38 HA1 GLY 38 0.732 10.784 -2.996 95 H VAL 39 HN VAL 39 2.301 10.382 -0.422 96 HA VAL 39 HA VAL 39 3.834 8.123 -1.394 97 HB VAL 39 HB VAL 39 5.488 8.755 0.310 98 HG11 VAL 39 HG11 VAL 39 5.584 9.801 -1.881 99 HG12 VAL 39 HG12 VAL 39 6.095 10.937 -0.633 100 HG13 VAL 39 HG13 VAL 39 4.486 11.070 -1.342 101 HG21 VAL 39 HG21 VAL 39 5.163 10.797 1.637 102 HG22 VAL 39 HG22 VAL 39 3.985 9.549 2.047 103 HG23 VAL 39 HG23 VAL 39 3.510 10.914 1.036 104 H VAL 40 HN VAL 40 1.815 8.959 1.351 105 HA VAL 40 HA VAL 40 2.501 6.752 2.985 106 HB VAL 40 HB VAL 40 0.354 7.222 4.164 107 HG11 VAL 40 HG11 VAL 40 1.010 9.448 4.970 108 HG12 VAL 40 HG12 VAL 40 2.104 9.613 3.596 109 HG13 VAL 40 HG13 VAL 40 2.396 8.370 4.812 110 HG21 VAL 40 HG21 VAL 40 -0.985 7.939 2.275 111 HG22 VAL 40 HG22 VAL 40 0.057 9.341 2.038 112 HG23 VAL 40 HG23 VAL 40 -0.931 9.215 3.493 113 H ILE 41 HN ILE 41 0.045 7.249 0.504 114 HA ILE 41 HA ILE 41 -1.188 4.684 0.931 115 HB ILE 41 HB ILE 41 -1.490 6.568 -1.414 116 HG12 ILE 41 HG12 ILE 41 -3.226 6.277 1.047 117 HG13 ILE 41 HG11 ILE 41 -2.074 7.581 0.788 118 HG21 ILE 41 HG21 ILE 41 -3.602 5.380 -1.800 119 HG22 ILE 41 HG22 ILE 41 -3.219 4.282 -0.473 120 HG23 ILE 41 HG23 ILE 41 -2.214 4.300 -1.921 121 HD11 ILE 41 HD11 ILE 41 -4.345 8.283 0.288 122 HD12 ILE 41 HD12 ILE 41 -4.488 6.999 -0.913 123 HD13 ILE 41 HD13 ILE 41 -3.338 8.315 -1.161 124 H ALA 42 HN ALA 42 1.423 5.934 -0.956 125 HA ALA 42 HA ALA 42 1.470 3.742 -2.834 126 HB1 ALA 42 HB1 ALA 42 3.503 4.775 -3.683 127 HB2 ALA 42 HB2 ALA 42 3.524 5.887 -2.316 128 HB3 ALA 42 HB3 ALA 42 2.221 5.973 -3.501 129 H THR 43 HN THR 43 2.867 4.487 0.250 130 HA THR 43 HA THR 43 4.977 2.539 0.081 131 HB THR 43 HB THR 43 3.864 3.963 2.509 132 HG1 THR 43 HG1 THR 43 5.206 5.547 2.005 133 HG21 THR 43 HG21 THR 43 6.445 2.437 2.133 134 HG22 THR 43 HG22 THR 43 5.068 1.923 3.109 135 HG23 THR 43 HG23 THR 43 5.992 3.352 3.570 136 H VAL 44 HN VAL 44 1.762 2.703 1.539 137 HA VAL 44 HA VAL 44 1.898 0.215 2.883 138 HB VAL 44 HB VAL 44 0.251 1.943 3.472 139 HG11 VAL 44 HG11 VAL 44 -1.045 1.222 0.847 140 HG12 VAL 44 HG12 VAL 44 -0.283 2.760 1.249 141 HG13 VAL 44 HG13 VAL 44 -1.752 2.256 2.086 142 HG21 VAL 44 HG21 VAL 44 -0.164 -0.363 4.133 143 HG22 VAL 44 HG22 VAL 44 -0.985 -0.669 2.602 144 HG23 VAL 44 HG23 VAL 44 -1.681 0.461 3.767 145 H THR 45 HN THR 45 1.273 1.097 -0.404 146 HA THR 45 HA THR 45 -0.196 -1.136 -1.259 147 HB THR 45 HB THR 45 1.801 0.488 -2.851 148 HG1 THR 45 HG1 THR 45 -0.908 0.866 -2.162 149 HG21 THR 45 HG21 THR 45 -0.490 -1.257 -3.763 150 HG22 THR 45 HG22 THR 45 1.224 -1.626 -3.944 151 HG23 THR 45 HG23 THR 45 0.522 -0.258 -4.805 152 H VAL 46 HN VAL 46 3.272 -0.616 -0.885 153 HA VAL 46 HA VAL 46 4.128 -2.989 -2.157 154 HB VAL 46 HB VAL 46 5.530 -1.501 0.069 155 HG11 VAL 46 HG11 VAL 46 6.465 -3.706 -0.362 156 HG12 VAL 46 HG12 VAL 46 7.570 -2.445 -0.909 157 HG13 VAL 46 HG13 VAL 46 6.594 -3.332 -2.080 158 HG21 VAL 46 HG21 VAL 46 4.956 0.022 -1.740 159 HG22 VAL 46 HG22 VAL 46 5.673 -1.080 -2.916 160 HG23 VAL 46 HG23 VAL 46 6.693 -0.285 -1.718 161 H ILE 47 HN ILE 47 3.130 -2.260 1.133 162 HA ILE 47 HA ILE 47 3.936 -4.772 2.231 163 HB ILE 47 HB ILE 47 1.905 -2.814 3.316 164 HG12 ILE 47 HG12 ILE 47 4.856 -3.050 3.951 165 HG13 ILE 47 HG11 ILE 47 4.159 -1.820 2.902 166 HG21 ILE 47 HG21 ILE 47 2.422 -3.858 5.482 167 HG22 ILE 47 HG22 ILE 47 3.460 -5.023 4.659 168 HG23 ILE 47 HG23 ILE 47 1.727 -5.006 4.338 169 HD11 ILE 47 HD11 ILE 47 3.559 -2.193 5.828 170 HD12 ILE 47 HD12 ILE 47 2.858 -0.961 4.780 171 HD13 ILE 47 HD13 ILE 47 4.586 -0.945 5.124 172 H THR 48 HN THR 48 1.000 -3.500 0.792 173 HA THR 48 HA THR 48 -0.739 -5.584 1.586 174 HB THR 48 HB THR 48 -0.970 -3.847 -0.878 175 HG1 THR 48 HG1 THR 48 -2.283 -3.338 1.569 176 HG21 THR 48 HG21 THR 48 -3.058 -5.328 0.727 177 HG22 THR 48 HG22 THR 48 -2.482 -5.771 -0.881 178 HG23 THR 48 HG23 THR 48 -3.374 -4.268 -0.647 179 H LEU 49 HN LEU 49 1.401 -5.159 -1.176 180 HA LEU 49 HA LEU 49 0.461 -7.332 -2.711 181 HB2 LEU 49 HB2 LEU 49 3.132 -5.940 -2.626 182 HB3 LEU 49 HB1 LEU 49 2.750 -7.203 -3.779 183 HG LEU 49 HG LEU 49 1.233 -4.603 -3.543 184 HD11 LEU 49 HD11 LEU 49 2.378 -3.977 -5.620 185 HD12 LEU 49 HD12 LEU 49 3.361 -5.438 -5.511 186 HD13 LEU 49 HD13 LEU 49 3.506 -4.182 -4.281 187 HD21 LEU 49 HD21 LEU 49 1.172 -6.789 -5.623 188 HD22 LEU 49 HD22 LEU 49 0.295 -5.262 -5.710 189 HD23 LEU 49 HD23 LEU 49 -0.096 -6.433 -4.448 190 H VAL 50 HN VAL 50 3.205 -7.080 -0.453 191 HA VAL 50 HA VAL 50 3.964 -9.802 -0.673 192 HB VAL 50 HB VAL 50 4.491 -7.954 1.660 193 HG11 VAL 50 HG11 VAL 50 6.482 -9.351 1.986 194 HG12 VAL 50 HG12 VAL 50 5.968 -10.382 0.652 195 HG13 VAL 50 HG13 VAL 50 4.995 -10.289 2.121 196 HG21 VAL 50 HG21 VAL 50 5.170 -6.880 -0.416 197 HG22 VAL 50 HG22 VAL 50 6.079 -8.319 -0.879 198 HG23 VAL 50 HG23 VAL 50 6.581 -7.371 0.520 199 H MET 51 HN MET 51 1.553 -8.145 1.179 200 HA MET 51 HA MET 51 1.206 -10.102 3.210 201 HB2 MET 51 HB2 MET 51 0.431 -7.753 3.408 202 HB3 MET 51 HB1 MET 51 -0.783 -8.073 2.178 203 HG2 MET 51 HG2 MET 51 -1.845 -9.710 3.619 204 HG3 MET 51 HG1 MET 51 -0.604 -9.456 4.844 205 HE1 MET 51 HE1 MET 51 -2.414 -9.006 6.687 206 HE2 MET 51 HE2 MET 51 -3.710 -9.263 5.520 207 HE3 MET 51 HE3 MET 51 -3.713 -7.824 6.538 208 H LEU 52 HN LEU 52 -0.515 -9.442 0.165 209 HA LEU 52 HA LEU 52 -2.246 -11.705 0.459 210 HB2 LEU 52 HB2 LEU 52 -2.898 -11.191 -1.891 211 HB3 LEU 52 HB1 LEU 52 -3.070 -9.845 -0.783 212 HG LEU 52 HG LEU 52 -0.688 -9.188 -1.682 213 HD11 LEU 52 HD11 LEU 52 -1.790 -10.871 -3.926 214 HD12 LEU 52 HD12 LEU 52 -0.314 -11.177 -3.009 215 HD13 LEU 52 HD13 LEU 52 -0.425 -9.763 -4.057 216 HD21 LEU 52 HD21 LEU 52 -2.688 -7.827 -1.909 217 HD22 LEU 52 HD22 LEU 52 -3.220 -8.811 -3.273 218 HD23 LEU 52 HD23 LEU 52 -1.763 -7.828 -3.411 219 H LYS 53 HN LYS 53 0.931 -11.224 -0.678 220 HA LYS 53 HA LYS 53 0.963 -13.587 -2.364 221 HB2 LYS 53 HB2 LYS 53 2.289 -11.603 -2.986 222 HB3 LYS 53 HB1 LYS 53 3.210 -11.755 -1.498 223 HG2 LYS 53 HG2 LYS 53 4.515 -12.642 -3.283 224 HG3 LYS 53 HG1 LYS 53 3.984 -13.988 -2.273 225 HD2 LYS 53 HD2 LYS 53 2.127 -14.379 -3.884 226 HD3 LYS 53 HD1 LYS 53 2.817 -13.128 -4.920 227 HE2 LYS 53 HE2 LYS 53 4.135 -15.709 -4.083 228 HE3 LYS 53 HE1 LYS 53 3.516 -15.315 -5.687 229 HZ1 LYS 53 HZ1 LYS 53 5.162 -13.550 -5.844 230 HZ2 LYS 53 HZ2 LYS 53 5.910 -15.044 -5.580 231 HZ3 LYS 53 HZ3 LYS 53 5.759 -13.938 -4.309 232 H LYS 54 HN LYS 54 1.382 -12.814 0.906 233 HA LYS 54 HA LYS 54 3.352 -14.522 1.813 234 HB2 LYS 54 HB2 LYS 54 2.106 -12.872 3.197 235 HB3 LYS 54 HB1 LYS 54 0.722 -13.953 3.190 236 HG2 LYS 54 HG2 LYS 54 1.871 -14.219 5.259 237 HG3 LYS 54 HG1 LYS 54 2.133 -15.674 4.297 238 HD2 LYS 54 HD2 LYS 54 4.210 -15.036 5.337 239 HD3 LYS 54 HD1 LYS 54 4.329 -14.758 3.598 240 HE2 LYS 54 HE2 LYS 54 5.293 -12.907 4.887 241 HE3 LYS 54 HE1 LYS 54 3.911 -12.387 3.923 242 HZ1 LYS 54 HZ1 LYS 54 3.837 -11.458 6.151 243 HZ2 LYS 54 HZ2 LYS 54 3.855 -13.008 6.827 244 HZ3 LYS 54 HZ3 LYS 54 2.530 -12.507 5.903 245 H LYS 55 HN LYS 55 0.221 -15.295 0.559 246 HA LYS 55 HA LYS 55 -0.311 -17.765 1.676 247 HB2 LYS 55 HB2 LYS 55 -0.746 -17.090 -1.235 248 HB3 LYS 55 HB1 LYS 55 -1.666 -18.219 -0.249 249 HG2 LYS 55 HG2 LYS 55 -2.409 -16.296 1.146 250 HG3 LYS 55 HG1 LYS 55 -1.610 -15.220 -0.001 251 HD2 LYS 55 HD2 LYS 55 -3.950 -15.338 -0.550 252 HD3 LYS 55 HD1 LYS 55 -3.032 -16.176 -1.803 253 HE2 LYS 55 HE2 LYS 55 -5.102 -17.364 -1.058 254 HE3 LYS 55 HE1 LYS 55 -3.619 -18.309 -0.910 255 HZ1 LYS 55 HZ1 LYS 55 -5.027 -16.890 1.285 256 HZ2 LYS 55 HZ2 LYS 55 -3.549 -17.694 1.451 257 HZ3 LYS 55 HZ3 LYS 55 -4.945 -18.565 1.060 Start of MODEL 15 1 H1 SER 26 HT1 SER 26 7.502 31.277 -2.514 2 H2 SER 26 HT2 SER 26 7.337 32.960 -2.601 3 H3 SER 26 HT3 SER 26 6.207 32.044 -1.736 4 HA SER 26 HA SER 26 9.076 32.307 -1.052 5 HB2 SER 26 HB2 SER 26 7.899 34.410 -0.674 6 HB3 SER 26 HB1 SER 26 6.624 33.565 0.205 7 HG SER 26 HG SER 26 7.957 34.300 1.763 8 H ASN 27 HN ASN 27 5.973 30.830 -0.507 9 HA ASN 27 HA ASN 27 7.086 29.264 1.717 10 HB2 ASN 27 HB2 ASN 27 4.213 29.714 0.879 11 HB3 ASN 27 HB1 ASN 27 4.715 28.670 2.204 12 HD21 ASN 27 HD21 ASN 27 3.035 31.053 2.221 13 HD22 ASN 27 HD22 ASN 27 3.783 32.156 3.319 14 H LYS 28 HN LYS 28 8.299 28.106 -0.027 15 HA LYS 28 HA LYS 28 6.751 26.313 -1.692 16 HB2 LYS 28 HB2 LYS 28 9.730 26.613 -1.288 17 HB3 LYS 28 HB1 LYS 28 8.993 25.492 -2.423 18 HG2 LYS 28 HG2 LYS 28 7.997 27.364 -3.633 19 HG3 LYS 28 HG1 LYS 28 8.727 28.492 -2.490 20 HD2 LYS 28 HD2 LYS 28 10.949 27.764 -3.161 21 HD3 LYS 28 HD1 LYS 28 10.245 26.582 -4.266 22 HE2 LYS 28 HE2 LYS 28 9.207 28.396 -5.540 23 HE3 LYS 28 HE1 LYS 28 9.919 29.576 -4.440 24 HZ1 LYS 28 HZ1 LYS 28 12.117 28.830 -5.126 25 HZ2 LYS 28 HZ2 LYS 28 11.220 29.359 -6.460 26 HZ3 LYS 28 HZ3 LYS 28 11.429 27.703 -6.184 27 H GLY 29 HN GLY 29 8.027 26.314 1.446 28 HA2 GLY 29 HA2 GLY 29 8.535 23.489 1.657 29 HA3 GLY 29 HA1 GLY 29 8.475 24.641 2.982 30 H ALA 30 HN ALA 30 5.755 25.509 1.933 31 HA ALA 30 HA ALA 30 4.169 24.052 3.700 32 HB1 ALA 30 HB1 ALA 30 3.273 25.602 1.274 33 HB2 ALA 30 HB2 ALA 30 3.584 26.280 2.873 34 HB3 ALA 30 HB3 ALA 30 2.263 25.136 2.641 35 H ILE 31 HN ILE 31 4.452 23.741 0.165 36 HA ILE 31 HA ILE 31 2.602 21.602 -0.043 37 HB ILE 31 HB ILE 31 3.152 23.000 -1.968 38 HG12 ILE 31 HG12 ILE 31 3.548 21.162 -3.631 39 HG13 ILE 31 HG11 ILE 31 3.870 20.078 -2.281 40 HG21 ILE 31 HG21 ILE 31 5.878 21.726 -1.790 41 HG22 ILE 31 HG22 ILE 31 5.487 23.425 -1.534 42 HG23 ILE 31 HG23 ILE 31 5.307 22.712 -3.136 43 HD11 ILE 31 HD11 ILE 31 1.604 19.814 -3.104 44 HD12 ILE 31 HD12 ILE 31 1.284 21.525 -2.808 45 HD13 ILE 31 HD13 ILE 31 1.604 20.440 -1.454 46 H ILE 32 HN ILE 32 6.031 21.760 0.600 47 HA ILE 32 HA ILE 32 6.770 19.137 -0.018 48 HB ILE 32 HB ILE 32 7.863 20.865 2.207 49 HG12 ILE 32 HG12 ILE 32 7.942 21.994 0.029 50 HG13 ILE 32 HG11 ILE 32 9.558 21.559 0.575 51 HG21 ILE 32 HG21 ILE 32 9.908 19.521 1.930 52 HG22 ILE 32 HG22 ILE 32 9.055 18.491 0.782 53 HG23 ILE 32 HG23 ILE 32 8.533 18.555 2.465 54 HD11 ILE 32 HD11 ILE 32 9.541 19.634 -0.929 55 HD12 ILE 32 HD12 ILE 32 9.289 21.149 -1.800 56 HD13 ILE 32 HD13 ILE 32 7.924 20.080 -1.475 57 H GLY 33 HN GLY 33 5.014 20.441 2.692 58 HA2 GLY 33 HA2 GLY 33 5.340 18.149 4.386 59 HA3 GLY 33 HA1 GLY 33 4.203 19.468 4.624 60 H LEU 34 HN LEU 34 3.254 18.931 1.760 61 HA LEU 34 HA LEU 34 1.275 16.937 2.534 62 HB2 LEU 34 HB2 LEU 34 1.449 18.910 0.268 63 HB3 LEU 34 HB1 LEU 34 0.241 17.642 0.293 64 HG LEU 34 HG LEU 34 -0.737 19.699 1.083 65 HD11 LEU 34 HD11 LEU 34 -1.519 17.643 2.124 66 HD12 LEU 34 HD12 LEU 34 -1.562 18.986 3.265 67 HD13 LEU 34 HD13 LEU 34 -0.274 17.786 3.366 68 HD21 LEU 34 HD21 LEU 34 0.065 20.825 3.097 69 HD22 LEU 34 HD22 LEU 34 1.291 20.822 1.828 70 HD23 LEU 34 HD23 LEU 34 1.423 19.705 3.186 71 H MET 35 HN MET 35 4.228 16.857 1.149 72 HA MET 35 HA MET 35 3.822 15.175 -1.102 73 HB2 MET 35 HB2 MET 35 5.877 16.479 -0.788 74 HB3 MET 35 HB1 MET 35 6.267 15.537 0.644 75 HG2 MET 35 HG2 MET 35 7.580 14.778 -1.222 76 HG3 MET 35 HG1 MET 35 6.441 13.523 -0.743 77 HE1 MET 35 HE1 MET 35 5.724 16.802 -2.804 78 HE2 MET 35 HE2 MET 35 5.903 16.213 -4.456 79 HE3 MET 35 HE3 MET 35 7.306 16.287 -3.391 80 H VAL 36 HN VAL 36 3.861 14.636 2.293 81 HA VAL 36 HA VAL 36 4.627 11.923 2.352 82 HB VAL 36 HB VAL 36 3.531 11.837 4.555 83 HG11 VAL 36 HG11 VAL 36 4.878 13.572 5.641 84 HG12 VAL 36 HG12 VAL 36 5.131 14.348 4.078 85 HG13 VAL 36 HG13 VAL 36 5.785 12.739 4.379 86 HG21 VAL 36 HG21 VAL 36 2.428 13.828 5.457 87 HG22 VAL 36 HG22 VAL 36 1.570 13.197 4.050 88 HG23 VAL 36 HG23 VAL 36 2.592 14.627 3.892 89 H GLY 37 HN GLY 37 1.690 13.477 1.412 90 HA2 GLY 37 HA2 GLY 37 -0.064 11.265 1.835 91 HA3 GLY 37 HA1 GLY 37 -0.390 12.671 0.831 92 H GLY 38 HN GLY 38 2.283 11.951 -0.564 93 HA2 GLY 38 HA2 GLY 38 1.011 10.218 -2.540 94 HA3 GLY 38 HA1 GLY 38 2.486 11.146 -2.769 95 H VAL 39 HN VAL 39 3.615 10.165 -0.222 96 HA VAL 39 HA VAL 39 4.717 7.700 -1.275 97 HB VAL 39 HB VAL 39 6.340 7.840 0.527 98 HG11 VAL 39 HG11 VAL 39 7.394 9.967 -0.064 99 HG12 VAL 39 HG12 VAL 39 5.883 10.516 -0.788 100 HG13 VAL 39 HG13 VAL 39 6.749 9.149 -1.488 101 HG21 VAL 39 HG21 VAL 39 4.714 10.191 1.493 102 HG22 VAL 39 HG22 VAL 39 6.295 9.723 2.120 103 HG23 VAL 39 HG23 VAL 39 4.914 8.641 2.313 104 H VAL 40 HN VAL 40 2.587 8.737 1.296 105 HA VAL 40 HA VAL 40 2.681 6.417 2.889 106 HB VAL 40 HB VAL 40 1.689 8.510 3.691 107 HG11 VAL 40 HG11 VAL 40 -0.544 9.197 2.975 108 HG12 VAL 40 HG12 VAL 40 -0.558 7.908 1.770 109 HG13 VAL 40 HG13 VAL 40 0.600 9.233 1.632 110 HG21 VAL 40 HG21 VAL 40 -0.268 7.551 4.805 111 HG22 VAL 40 HG22 VAL 40 1.083 6.420 4.785 112 HG23 VAL 40 HG23 VAL 40 -0.260 6.207 3.662 113 H ILE 41 HN ILE 41 0.617 7.313 0.152 114 HA ILE 41 HA ILE 41 -1.020 5.002 0.244 115 HB ILE 41 HB ILE 41 -0.399 6.789 -2.115 116 HG12 ILE 41 HG12 ILE 41 -2.730 6.858 -0.183 117 HG13 ILE 41 HG11 ILE 41 -1.358 7.958 -0.136 118 HG21 ILE 41 HG21 ILE 41 -1.324 4.646 -2.810 119 HG22 ILE 41 HG22 ILE 41 -2.497 5.940 -3.050 120 HG23 ILE 41 HG23 ILE 41 -2.663 4.843 -1.681 121 HD11 ILE 41 HD11 ILE 41 -3.336 7.695 -2.388 122 HD12 ILE 41 HD12 ILE 41 -1.960 8.798 -2.347 123 HD13 ILE 41 HD13 ILE 41 -3.278 8.991 -1.193 124 H ALA 42 HN ALA 42 2.137 5.636 -1.023 125 HA ALA 42 HA ALA 42 2.185 3.296 -2.721 126 HB1 ALA 42 HB1 ALA 42 4.423 5.153 -1.919 127 HB2 ALA 42 HB2 ALA 42 3.420 5.312 -3.360 128 HB3 ALA 42 HB3 ALA 42 4.493 3.923 -3.182 129 H THR 43 HN THR 43 2.948 4.106 0.544 130 HA THR 43 HA THR 43 4.719 1.868 0.977 131 HB THR 43 HB THR 43 3.396 3.699 2.993 132 HG1 THR 43 HG1 THR 43 4.991 4.566 1.370 133 HG21 THR 43 HG21 THR 43 4.112 1.584 3.992 134 HG22 THR 43 HG22 THR 43 5.145 2.910 4.528 135 HG23 THR 43 HG23 THR 43 5.720 1.788 3.294 136 H VAL 44 HN VAL 44 1.311 2.509 1.217 137 HA VAL 44 HA VAL 44 0.771 0.200 2.871 138 HB VAL 44 HB VAL 44 -0.667 2.205 3.003 139 HG11 VAL 44 HG11 VAL 44 -2.274 2.674 1.217 140 HG12 VAL 44 HG12 VAL 44 -1.529 1.427 0.218 141 HG13 VAL 44 HG13 VAL 44 -0.613 2.868 0.661 142 HG21 VAL 44 HG21 VAL 44 -2.031 -0.323 2.083 143 HG22 VAL 44 HG22 VAL 44 -2.837 1.011 2.909 144 HG23 VAL 44 HG23 VAL 44 -1.576 0.099 3.737 145 H THR 45 HN THR 45 0.989 0.938 -0.503 146 HA THR 45 HA THR 45 -0.504 -1.352 -1.401 147 HB THR 45 HB THR 45 1.396 0.423 -2.950 148 HG1 THR 45 HG1 THR 45 -0.398 1.607 -3.461 149 HG21 THR 45 HG21 THR 45 -0.718 -1.521 -3.892 150 HG22 THR 45 HG22 THR 45 1.028 -1.718 -4.058 151 HG23 THR 45 HG23 THR 45 0.200 -0.427 -4.928 152 H VAL 46 HN VAL 46 2.909 -0.519 -1.006 153 HA VAL 46 HA VAL 46 3.983 -2.818 -2.214 154 HB VAL 46 HB VAL 46 6.034 -2.273 -0.886 155 HG11 VAL 46 HG11 VAL 46 5.694 -1.321 -3.087 156 HG12 VAL 46 HG12 VAL 46 6.458 -0.138 -2.026 157 HG13 VAL 46 HG13 VAL 46 4.739 -0.011 -2.394 158 HG21 VAL 46 HG21 VAL 46 4.320 -0.026 0.156 159 HG22 VAL 46 HG22 VAL 46 6.061 -0.178 0.386 160 HG23 VAL 46 HG23 VAL 46 4.971 -1.366 1.100 161 H ILE 47 HN ILE 47 2.891 -2.158 1.066 162 HA ILE 47 HA ILE 47 3.913 -4.631 2.125 163 HB ILE 47 HB ILE 47 1.911 -2.724 3.342 164 HG12 ILE 47 HG12 ILE 47 4.888 -2.948 3.839 165 HG13 ILE 47 HG11 ILE 47 4.145 -1.722 2.816 166 HG21 ILE 47 HG21 ILE 47 2.513 -3.792 5.461 167 HG22 ILE 47 HG22 ILE 47 3.566 -4.914 4.596 168 HG23 ILE 47 HG23 ILE 47 1.823 -4.954 4.327 169 HD11 ILE 47 HD11 ILE 47 2.905 -0.879 4.753 170 HD12 ILE 47 HD12 ILE 47 4.651 -0.823 4.999 171 HD13 ILE 47 HD13 ILE 47 3.693 -2.088 5.768 172 H THR 48 HN THR 48 0.678 -3.379 1.307 173 HA THR 48 HA THR 48 -0.774 -5.659 2.043 174 HB THR 48 HB THR 48 -1.433 -3.646 -0.120 175 HG1 THR 48 HG1 THR 48 -1.124 -3.049 2.266 176 HG21 THR 48 HG21 THR 48 -2.769 -5.679 -0.345 177 HG22 THR 48 HG22 THR 48 -3.763 -4.342 0.235 178 HG23 THR 48 HG23 THR 48 -3.216 -5.587 1.358 179 H LEU 49 HN LEU 49 1.071 -4.936 -0.832 180 HA LEU 49 HA LEU 49 -0.031 -7.042 -2.423 181 HB2 LEU 49 HB2 LEU 49 1.001 -5.051 -3.419 182 HB3 LEU 49 HB1 LEU 49 2.550 -5.508 -2.735 183 HG LEU 49 HG LEU 49 2.528 -7.559 -4.128 184 HD11 LEU 49 HD11 LEU 49 0.920 -7.737 -5.959 185 HD12 LEU 49 HD12 LEU 49 0.061 -6.323 -5.344 186 HD13 LEU 49 HD13 LEU 49 0.120 -7.805 -4.389 187 HD21 LEU 49 HD21 LEU 49 2.993 -6.435 -6.250 188 HD22 LEU 49 HD22 LEU 49 3.697 -5.561 -4.888 189 HD23 LEU 49 HD23 LEU 49 2.217 -4.971 -5.645 190 H VAL 50 HN VAL 50 3.027 -6.632 -0.646 191 HA VAL 50 HA VAL 50 3.983 -9.246 -1.219 192 HB VAL 50 HB VAL 50 5.451 -7.348 -0.562 193 HG11 VAL 50 HG11 VAL 50 4.066 -6.407 1.208 194 HG12 VAL 50 HG12 VAL 50 5.685 -6.776 1.802 195 HG13 VAL 50 HG13 VAL 50 4.338 -7.843 2.197 196 HG21 VAL 50 HG21 VAL 50 5.658 -9.789 1.198 197 HG22 VAL 50 HG22 VAL 50 6.966 -8.666 0.829 198 HG23 VAL 50 HG23 VAL 50 6.260 -9.648 -0.453 199 H MET 51 HN MET 51 1.786 -7.973 1.105 200 HA MET 51 HA MET 51 2.032 -9.929 3.125 201 HB2 MET 51 HB2 MET 51 0.880 -7.837 3.546 202 HB3 MET 51 HB1 MET 51 -0.322 -8.213 2.321 203 HG2 MET 51 HG2 MET 51 -1.254 -8.584 4.499 204 HG3 MET 51 HG1 MET 51 -1.068 -10.130 3.671 205 HE1 MET 51 HE1 MET 51 1.615 -7.876 5.507 206 HE2 MET 51 HE2 MET 51 1.626 -8.625 7.103 207 HE3 MET 51 HE3 MET 51 0.183 -7.790 6.531 208 H LEU 52 HN LEU 52 -0.400 -9.623 0.536 209 HA LEU 52 HA LEU 52 -1.454 -12.238 1.004 210 HB2 LEU 52 HB2 LEU 52 -2.681 -11.807 -1.156 211 HB3 LEU 52 HB1 LEU 52 -2.966 -10.653 0.132 212 HG LEU 52 HG LEU 52 -1.101 -9.261 -1.056 213 HD11 LEU 52 HD11 LEU 52 -0.398 -10.931 -2.646 214 HD12 LEU 52 HD12 LEU 52 -1.130 -9.574 -3.501 215 HD13 LEU 52 HD13 LEU 52 -2.038 -11.070 -3.277 216 HD21 LEU 52 HD21 LEU 52 -3.868 -9.566 -2.216 217 HD22 LEU 52 HD22 LEU 52 -2.808 -8.174 -2.426 218 HD23 LEU 52 HD23 LEU 52 -3.429 -8.575 -0.826 219 H LYS 53 HN LYS 53 1.204 -11.024 -0.747 220 HA LYS 53 HA LYS 53 1.399 -12.824 -2.874 221 HB2 LYS 53 HB2 LYS 53 2.799 -10.796 -2.595 222 HB3 LYS 53 HB1 LYS 53 3.660 -11.592 -1.286 223 HG2 LYS 53 HG2 LYS 53 4.389 -13.336 -2.883 224 HG3 LYS 53 HG1 LYS 53 3.612 -12.424 -4.179 225 HD2 LYS 53 HD2 LYS 53 5.064 -10.506 -3.679 226 HD3 LYS 53 HD1 LYS 53 5.854 -11.445 -2.411 227 HE2 LYS 53 HE2 LYS 53 7.196 -11.465 -4.434 228 HE3 LYS 53 HE1 LYS 53 6.575 -13.081 -4.096 229 HZ1 LYS 53 HZ1 LYS 53 5.446 -11.166 -6.068 230 HZ2 LYS 53 HZ2 LYS 53 4.837 -12.709 -5.739 231 HZ3 LYS 53 HZ3 LYS 53 6.368 -12.536 -6.435 232 H LYS 54 HN LYS 54 1.678 -13.376 0.472 233 HA LYS 54 HA LYS 54 3.548 -15.415 0.665 234 HB2 LYS 54 HB2 LYS 54 2.265 -16.173 2.642 235 HB3 LYS 54 HB1 LYS 54 2.536 -14.435 2.632 236 HG2 LYS 54 HG2 LYS 54 0.257 -14.088 1.808 237 HG3 LYS 54 HG1 LYS 54 -0.011 -15.832 1.840 238 HD2 LYS 54 HD2 LYS 54 0.317 -15.870 4.242 239 HD3 LYS 54 HD1 LYS 54 0.697 -14.145 4.241 240 HE2 LYS 54 HE2 LYS 54 -1.609 -14.582 4.963 241 HE3 LYS 54 HE1 LYS 54 -1.548 -13.623 3.486 242 HZ1 LYS 54 HZ1 LYS 54 -3.224 -15.344 3.336 243 HZ2 LYS 54 HZ2 LYS 54 -2.071 -16.543 3.642 244 HZ3 LYS 54 HZ3 LYS 54 -1.990 -15.637 2.214 245 H LYS 55 HN LYS 55 0.401 -15.440 -0.762 246 HA LYS 55 HA LYS 55 -0.163 -18.193 -0.654 247 HB2 LYS 55 HB2 LYS 55 -0.972 -16.168 -2.748 248 HB3 LYS 55 HB1 LYS 55 -1.707 -17.748 -2.516 249 HG2 LYS 55 HG2 LYS 55 -2.544 -17.108 -0.363 250 HG3 LYS 55 HG1 LYS 55 -1.671 -15.576 -0.434 251 HD2 LYS 55 HD2 LYS 55 -3.015 -14.906 -2.370 252 HD3 LYS 55 HD1 LYS 55 -3.895 -16.434 -2.284 253 HE2 LYS 55 HE2 LYS 55 -5.178 -14.650 -1.245 254 HE3 LYS 55 HE1 LYS 55 -4.687 -15.843 -0.043 255 HZ1 LYS 55 HZ1 LYS 55 -2.875 -14.373 0.615 256 HZ2 LYS 55 HZ2 LYS 55 -4.372 -13.603 0.781 257 HZ3 LYS 55 HZ3 LYS 55 -3.370 -13.226 -0.526 Start of MODEL 16 1 H1 SER 26 HT1 SER 26 3.430 26.346 -8.981 2 H2 SER 26 HT2 SER 26 4.765 26.563 -9.997 3 H3 SER 26 HT3 SER 26 3.236 27.100 -10.484 4 HA SER 26 HA SER 26 4.583 28.952 -9.784 5 HB2 SER 26 HB2 SER 26 2.359 28.278 -7.841 6 HB3 SER 26 HB1 SER 26 3.031 29.887 -8.098 7 HG SER 26 HG SER 26 1.736 30.069 -9.727 8 H ASN 27 HN ASN 27 3.846 26.922 -6.938 9 HA ASN 27 HA ASN 27 6.381 27.840 -5.753 10 HB2 ASN 27 HB2 ASN 27 3.912 26.776 -4.365 11 HB3 ASN 27 HB1 ASN 27 5.387 27.311 -3.565 12 HD21 ASN 27 HD21 ASN 27 2.523 28.282 -5.251 13 HD22 ASN 27 HD22 ASN 27 2.630 29.968 -4.887 14 H LYS 28 HN LYS 28 7.932 26.400 -5.330 15 HA LYS 28 HA LYS 28 7.385 23.586 -5.911 16 HB2 LYS 28 HB2 LYS 28 9.850 23.359 -5.993 17 HB3 LYS 28 HB1 LYS 28 9.239 24.557 -7.127 18 HG2 LYS 28 HG2 LYS 28 9.893 26.346 -5.610 19 HG3 LYS 28 HG1 LYS 28 10.471 25.158 -4.444 20 HD2 LYS 28 HD2 LYS 28 11.531 25.401 -7.256 21 HD3 LYS 28 HD1 LYS 28 12.258 26.200 -5.861 22 HE2 LYS 28 HE2 LYS 28 11.884 23.225 -6.196 23 HE3 LYS 28 HE1 LYS 28 13.401 24.102 -6.392 24 HZ1 LYS 28 HZ1 LYS 28 13.290 24.748 -4.070 25 HZ2 LYS 28 HZ2 LYS 28 13.243 23.065 -4.215 26 HZ3 LYS 28 HZ3 LYS 28 11.826 23.924 -3.881 27 H GLY 29 HN GLY 29 8.160 25.719 -3.304 28 HA2 GLY 29 HA2 GLY 29 9.067 23.634 -1.523 29 HA3 GLY 29 HA1 GLY 29 8.779 25.317 -1.103 30 H ALA 30 HN ALA 30 6.033 25.033 -2.387 31 HA ALA 30 HA ALA 30 4.669 24.319 0.039 32 HB1 ALA 30 HB1 ALA 30 2.650 25.021 -1.119 33 HB2 ALA 30 HB2 ALA 30 3.534 25.100 -2.643 34 HB3 ALA 30 HB3 ALA 30 3.936 26.210 -1.332 35 H ILE 31 HN ILE 31 5.055 22.885 -3.166 36 HA ILE 31 HA ILE 31 3.102 20.862 -2.858 37 HB ILE 31 HB ILE 31 3.992 21.500 -5.054 38 HG12 ILE 31 HG12 ILE 31 4.524 18.599 -4.363 39 HG13 ILE 31 HG11 ILE 31 2.944 19.285 -4.728 40 HG21 ILE 31 HG21 ILE 31 6.206 20.718 -5.765 41 HG22 ILE 31 HG22 ILE 31 6.525 20.153 -4.124 42 HG23 ILE 31 HG23 ILE 31 6.309 21.877 -4.438 43 HD11 ILE 31 HD11 ILE 31 5.281 19.109 -6.615 44 HD12 ILE 31 HD12 ILE 31 3.715 19.833 -6.985 45 HD13 ILE 31 HD13 ILE 31 3.831 18.108 -6.642 46 H ILE 32 HN ILE 32 6.375 21.162 -1.740 47 HA ILE 32 HA ILE 32 7.097 18.500 -1.387 48 HB ILE 32 HB ILE 32 7.760 20.814 0.444 49 HG12 ILE 32 HG12 ILE 32 9.278 19.725 -1.938 50 HG13 ILE 32 HG11 ILE 32 8.328 21.206 -1.943 51 HG21 ILE 32 HG21 ILE 32 9.730 19.493 1.053 52 HG22 ILE 32 HG22 ILE 32 9.159 18.171 0.034 53 HG23 ILE 32 HG23 ILE 32 8.236 18.649 1.460 54 HD11 ILE 32 HD11 ILE 32 10.769 20.678 -0.264 55 HD12 ILE 32 HD12 ILE 32 9.817 22.163 -0.261 56 HD13 ILE 32 HD13 ILE 32 10.693 21.680 -1.713 57 H GLY 33 HN GLY 33 4.861 20.482 0.406 58 HA2 GLY 33 HA2 GLY 33 4.730 18.790 2.712 59 HA3 GLY 33 HA1 GLY 33 3.600 20.070 2.296 60 H LEU 34 HN LEU 34 3.087 18.862 -0.371 61 HA LEU 34 HA LEU 34 1.082 16.953 0.530 62 HB2 LEU 34 HB2 LEU 34 1.549 18.226 -2.168 63 HB3 LEU 34 HB1 LEU 34 0.233 17.127 -1.802 64 HG LEU 34 HG LEU 34 -0.404 18.847 0.029 65 HD11 LEU 34 HD11 LEU 34 0.228 21.146 -0.496 66 HD12 LEU 34 HD12 LEU 34 1.300 20.566 -1.771 67 HD13 LEU 34 HD13 LEU 34 1.639 20.170 -0.085 68 HD21 LEU 34 HD21 LEU 34 -0.734 19.465 -2.905 69 HD22 LEU 34 HD22 LEU 34 -1.718 20.129 -1.600 70 HD23 LEU 34 HD23 LEU 34 -1.755 18.400 -1.939 71 H MET 35 HN MET 35 4.202 16.718 -0.290 72 HA MET 35 HA MET 35 4.128 14.524 -2.139 73 HB2 MET 35 HB2 MET 35 6.037 16.074 -2.043 74 HB3 MET 35 HB1 MET 35 6.385 15.540 -0.403 75 HG2 MET 35 HG2 MET 35 7.878 14.499 -2.011 76 HG3 MET 35 HG1 MET 35 6.862 13.301 -1.212 77 HE1 MET 35 HE1 MET 35 6.156 14.808 -5.519 78 HE2 MET 35 HE2 MET 35 7.491 15.349 -4.500 79 HE3 MET 35 HE3 MET 35 5.835 15.789 -4.088 80 H VAL 36 HN VAL 36 4.296 14.903 1.337 81 HA VAL 36 HA VAL 36 5.047 12.249 1.967 82 HB VAL 36 HB VAL 36 4.275 12.728 4.230 83 HG11 VAL 36 HG11 VAL 36 6.445 13.597 3.530 84 HG12 VAL 36 HG12 VAL 36 5.676 14.677 4.693 85 HG13 VAL 36 HG13 VAL 36 5.679 15.087 2.978 86 HG21 VAL 36 HG21 VAL 36 3.224 14.892 4.761 87 HG22 VAL 36 HG22 VAL 36 2.209 13.890 3.724 88 HG23 VAL 36 HG23 VAL 36 3.108 15.242 3.037 89 H GLY 37 HN GLY 37 2.056 13.676 1.007 90 HA2 GLY 37 HA2 GLY 37 0.410 11.536 2.054 91 HA3 GLY 37 HA1 GLY 37 -0.129 12.875 1.049 92 H GLY 38 HN GLY 38 2.199 12.131 -0.818 93 HA2 GLY 38 HA2 GLY 38 0.616 10.287 -2.419 94 HA3 GLY 38 HA1 GLY 38 2.039 11.169 -2.947 95 H VAL 39 HN VAL 39 3.596 10.301 -0.596 96 HA VAL 39 HA VAL 39 4.456 7.756 -1.686 97 HB VAL 39 HB VAL 39 6.345 7.947 -0.117 98 HG11 VAL 39 HG11 VAL 39 6.514 8.952 -2.327 99 HG12 VAL 39 HG12 VAL 39 7.387 9.917 -1.137 100 HG13 VAL 39 HG13 VAL 39 5.808 10.447 -1.716 101 HG21 VAL 39 HG21 VAL 39 5.212 9.077 1.719 102 HG22 VAL 39 HG22 VAL 39 5.017 10.523 0.727 103 HG23 VAL 39 HG23 VAL 39 6.630 9.995 1.207 104 H VAL 40 HN VAL 40 2.855 8.980 1.174 105 HA VAL 40 HA VAL 40 3.196 6.734 2.837 106 HB VAL 40 HB VAL 40 2.419 8.904 3.688 107 HG11 VAL 40 HG11 VAL 40 0.099 9.605 3.381 108 HG12 VAL 40 HG12 VAL 40 -0.171 8.247 2.289 109 HG13 VAL 40 HG13 VAL 40 0.954 9.528 1.841 110 HG21 VAL 40 HG21 VAL 40 0.695 8.054 5.214 111 HG22 VAL 40 HG22 VAL 40 2.021 6.910 5.017 112 HG23 VAL 40 HG23 VAL 40 0.491 6.639 4.182 113 H ILE 41 HN ILE 41 0.754 7.532 0.415 114 HA ILE 41 HA ILE 41 -0.906 5.276 0.969 115 HB ILE 41 HB ILE 41 -0.762 6.918 -1.563 116 HG12 ILE 41 HG12 ILE 41 -1.200 8.329 0.393 117 HG13 ILE 41 HG11 ILE 41 -2.635 8.201 -0.618 118 HG21 ILE 41 HG21 ILE 41 -3.071 6.137 -1.908 119 HG22 ILE 41 HG22 ILE 41 -2.918 5.107 -0.486 120 HG23 ILE 41 HG23 ILE 41 -1.907 4.814 -1.900 121 HD11 ILE 41 HD11 ILE 41 -3.215 8.076 1.726 122 HD12 ILE 41 HD12 ILE 41 -2.130 6.703 1.943 123 HD13 ILE 41 HD13 ILE 41 -3.561 6.543 0.924 124 H ALA 42 HN ALA 42 1.725 5.934 -1.278 125 HA ALA 42 HA ALA 42 1.456 3.545 -2.790 126 HB1 ALA 42 HB1 ALA 42 3.660 4.082 -3.677 127 HB2 ALA 42 HB2 ALA 42 3.882 5.300 -2.419 128 HB3 ALA 42 HB3 ALA 42 2.631 5.515 -3.645 129 H THR 43 HN THR 43 3.050 4.353 0.203 130 HA THR 43 HA THR 43 4.812 2.154 0.351 131 HB THR 43 HB THR 43 3.530 3.703 2.614 132 HG1 THR 43 HG1 THR 43 4.953 5.190 2.136 133 HG21 THR 43 HG21 THR 43 5.978 1.930 2.589 134 HG22 THR 43 HG22 THR 43 4.439 1.562 3.370 135 HG23 THR 43 HG23 THR 43 5.426 2.904 3.953 136 H VAL 44 HN VAL 44 1.540 2.645 1.660 137 HA VAL 44 HA VAL 44 1.278 0.138 2.889 138 HB VAL 44 HB VAL 44 -0.942 1.801 1.688 139 HG11 VAL 44 HG11 VAL 44 -1.646 -0.451 2.272 140 HG12 VAL 44 HG12 VAL 44 -2.341 0.720 3.392 141 HG13 VAL 44 HG13 VAL 44 -0.963 -0.264 3.887 142 HG21 VAL 44 HG21 VAL 44 -1.148 2.805 3.920 143 HG22 VAL 44 HG22 VAL 44 0.418 3.153 3.185 144 HG23 VAL 44 HG23 VAL 44 0.287 1.924 4.442 145 H THR 45 HN THR 45 0.835 1.178 -0.417 146 HA THR 45 HA THR 45 -0.618 -1.019 -1.392 147 HB THR 45 HB THR 45 1.408 0.649 -2.899 148 HG1 THR 45 HG1 THR 45 -0.925 1.343 -1.796 149 HG21 THR 45 HG21 THR 45 -0.937 -0.993 -3.866 150 HG22 THR 45 HG22 THR 45 0.768 -1.385 -4.091 151 HG23 THR 45 HG23 THR 45 0.078 0.038 -4.872 152 H VAL 46 HN VAL 46 2.852 -0.467 -1.019 153 HA VAL 46 HA VAL 46 3.690 -2.845 -2.314 154 HB VAL 46 HB VAL 46 5.155 -1.264 -0.196 155 HG11 VAL 46 HG11 VAL 46 6.104 -3.475 -0.540 156 HG12 VAL 46 HG12 VAL 46 7.175 -2.235 -1.192 157 HG13 VAL 46 HG13 VAL 46 6.170 -3.192 -2.280 158 HG21 VAL 46 HG21 VAL 46 6.245 -0.121 -2.069 159 HG22 VAL 46 HG22 VAL 46 4.504 0.156 -2.067 160 HG23 VAL 46 HG23 VAL 46 5.213 -0.995 -3.200 161 H ILE 47 HN ILE 47 2.928 -2.035 1.032 162 HA ILE 47 HA ILE 47 3.828 -4.412 2.233 163 HB ILE 47 HB ILE 47 1.534 -2.658 3.123 164 HG12 ILE 47 HG12 ILE 47 4.451 -2.541 3.920 165 HG13 ILE 47 HG11 ILE 47 3.694 -1.449 2.765 166 HG21 ILE 47 HG21 ILE 47 3.247 -4.609 4.658 167 HG22 ILE 47 HG22 ILE 47 1.548 -4.818 4.237 168 HG23 ILE 47 HG23 ILE 47 2.027 -3.544 5.357 169 HD11 ILE 47 HD11 ILE 47 2.198 -0.638 4.515 170 HD12 ILE 47 HD12 ILE 47 3.894 -0.418 4.949 171 HD13 ILE 47 HD13 ILE 47 2.963 -1.732 5.670 172 H THR 48 HN THR 48 0.729 -3.522 0.789 173 HA THR 48 HA THR 48 -0.696 -5.838 1.526 174 HB THR 48 HB THR 48 -1.125 -4.106 -0.917 175 HG1 THR 48 HG1 THR 48 -2.486 -2.913 0.419 176 HG21 THR 48 HG21 THR 48 -3.446 -4.890 -0.779 177 HG22 THR 48 HG22 THR 48 -3.010 -5.934 0.574 178 HG23 THR 48 HG23 THR 48 -2.329 -6.232 -1.027 179 H LEU 49 HN LEU 49 1.493 -5.138 -1.108 180 HA LEU 49 HA LEU 49 0.877 -7.377 -2.725 181 HB2 LEU 49 HB2 LEU 49 2.118 -5.387 -3.518 182 HB3 LEU 49 HB1 LEU 49 3.475 -5.850 -2.505 183 HG LEU 49 HG LEU 49 3.622 -7.985 -3.832 184 HD11 LEU 49 HD11 LEU 49 1.322 -7.947 -4.703 185 HD12 LEU 49 HD12 LEU 49 2.526 -8.087 -5.985 186 HD13 LEU 49 HD13 LEU 49 1.733 -6.541 -5.683 187 HD21 LEU 49 HD21 LEU 49 5.122 -6.096 -4.222 188 HD22 LEU 49 HD22 LEU 49 3.959 -5.404 -5.353 189 HD23 LEU 49 HD23 LEU 49 4.744 -6.937 -5.726 190 H VAL 50 HN VAL 50 2.861 -6.916 0.090 191 HA VAL 50 HA VAL 50 4.333 -9.362 -0.169 192 HB VAL 50 HB VAL 50 3.915 -7.676 2.305 193 HG11 VAL 50 HG11 VAL 50 6.018 -8.700 3.056 194 HG12 VAL 50 HG12 VAL 50 6.033 -9.706 1.609 195 HG13 VAL 50 HG13 VAL 50 4.751 -9.899 2.804 196 HG21 VAL 50 HG21 VAL 50 4.834 -6.333 0.492 197 HG22 VAL 50 HG22 VAL 50 6.100 -7.535 0.228 198 HG23 VAL 50 HG23 VAL 50 6.051 -6.621 1.735 199 H MET 51 HN MET 51 1.312 -8.388 1.263 200 HA MET 51 HA MET 51 0.959 -10.620 2.975 201 HB2 MET 51 HB2 MET 51 -0.303 -8.512 3.221 202 HB3 MET 51 HB1 MET 51 -1.133 -8.842 1.707 203 HG2 MET 51 HG2 MET 51 -2.083 -10.879 2.697 204 HG3 MET 51 HG1 MET 51 -1.295 -10.486 4.223 205 HE1 MET 51 HE1 MET 51 -1.913 -8.381 5.710 206 HE2 MET 51 HE2 MET 51 -3.113 -7.175 5.250 207 HE3 MET 51 HE3 MET 51 -1.613 -7.320 4.333 208 H LEU 52 HN LEU 52 0.039 -9.950 -0.368 209 HA LEU 52 HA LEU 52 -1.336 -12.473 -0.650 210 HB2 LEU 52 HB2 LEU 52 -1.570 -11.790 -3.027 211 HB3 LEU 52 HB1 LEU 52 -2.212 -10.626 -1.886 212 HG LEU 52 HG LEU 52 0.148 -9.497 -2.176 213 HD11 LEU 52 HD11 LEU 52 0.978 -9.743 -4.485 214 HD12 LEU 52 HD12 LEU 52 -0.150 -11.077 -4.727 215 HD13 LEU 52 HD13 LEU 52 1.148 -11.223 -3.541 216 HD21 LEU 52 HD21 LEU 52 -2.024 -9.346 -4.263 217 HD22 LEU 52 HD22 LEU 52 -0.779 -8.130 -3.980 218 HD23 LEU 52 HD23 LEU 52 -1.983 -8.464 -2.736 219 H LYS 53 HN LYS 53 1.867 -11.339 -0.960 220 HA LYS 53 HA LYS 53 2.855 -13.054 -2.956 221 HB2 LYS 53 HB2 LYS 53 4.123 -11.132 -2.146 222 HB3 LYS 53 HB1 LYS 53 4.258 -11.866 -0.555 223 HG2 LYS 53 HG2 LYS 53 6.332 -12.147 -1.700 224 HG3 LYS 53 HG1 LYS 53 5.550 -13.724 -1.581 225 HD2 LYS 53 HD2 LYS 53 6.407 -13.567 -3.784 226 HD3 LYS 53 HD1 LYS 53 4.664 -13.325 -3.912 227 HE2 LYS 53 HE2 LYS 53 5.863 -11.730 -5.305 228 HE3 LYS 53 HE1 LYS 53 5.006 -10.905 -4.002 229 HZ1 LYS 53 HZ1 LYS 53 7.230 -10.021 -4.278 230 HZ2 LYS 53 HZ2 LYS 53 7.905 -11.552 -4.033 231 HZ3 LYS 53 HZ3 LYS 53 7.086 -10.778 -2.771 232 H LYS 54 HN LYS 54 1.779 -13.684 0.214 233 HA LYS 54 HA LYS 54 3.375 -15.884 0.922 234 HB2 LYS 54 HB2 LYS 54 0.489 -15.344 1.643 235 HB3 LYS 54 HB1 LYS 54 1.561 -16.464 2.470 236 HG2 LYS 54 HG2 LYS 54 2.970 -14.650 3.199 237 HG3 LYS 54 HG1 LYS 54 2.012 -13.496 2.272 238 HD2 LYS 54 HD2 LYS 54 1.263 -13.282 4.493 239 HD3 LYS 54 HD1 LYS 54 0.030 -14.246 3.678 240 HE2 LYS 54 HE2 LYS 54 2.289 -15.503 5.209 241 HE3 LYS 54 HE1 LYS 54 0.790 -15.010 5.995 242 HZ1 LYS 54 HZ1 LYS 54 0.638 -17.306 5.419 243 HZ2 LYS 54 HZ2 LYS 54 1.089 -17.006 3.817 244 HZ3 LYS 54 HZ3 LYS 54 -0.402 -16.451 4.391 245 H LYS 55 HN LYS 55 1.099 -15.552 -1.553 246 HA LYS 55 HA LYS 55 0.056 -18.193 -1.630 247 HB2 LYS 55 HB2 LYS 55 0.312 -16.096 -3.793 248 HB3 LYS 55 HB1 LYS 55 -0.581 -17.601 -3.970 249 HG2 LYS 55 HG2 LYS 55 -2.134 -16.948 -2.262 250 HG3 LYS 55 HG1 LYS 55 -1.182 -15.509 -1.891 251 HD2 LYS 55 HD2 LYS 55 -1.650 -14.590 -4.077 252 HD3 LYS 55 HD1 LYS 55 -2.495 -16.064 -4.551 253 HE2 LYS 55 HE2 LYS 55 -4.062 -14.290 -3.939 254 HE3 LYS 55 HE1 LYS 55 -4.182 -15.663 -2.840 255 HZ1 LYS 55 HZ1 LYS 55 -2.731 -13.128 -2.300 256 HZ2 LYS 55 HZ2 LYS 55 -2.819 -14.451 -1.247 257 HZ3 LYS 55 HZ3 LYS 55 -4.219 -13.584 -1.632 Start of MODEL 17 1 H1 SER 26 HT1 SER 26 4.196 22.030 16.896 2 H2 SER 26 HT2 SER 26 3.255 20.748 17.472 3 H3 SER 26 HT3 SER 26 2.667 22.331 17.554 4 HA SER 26 HA SER 26 3.241 20.847 15.058 5 HB2 SER 26 HB2 SER 26 0.593 21.545 16.355 6 HB3 SER 26 HB1 SER 26 0.789 20.785 14.776 7 HG SER 26 HG SER 26 2.130 19.503 16.793 8 H ASN 27 HN ASN 27 4.277 22.518 14.011 9 HA ASN 27 HA ASN 27 2.553 24.727 13.211 10 HB2 ASN 27 HB2 ASN 27 5.281 25.097 14.456 11 HB3 ASN 27 HB1 ASN 27 4.458 26.351 13.534 12 HD21 ASN 27 HD21 ASN 27 4.495 24.507 16.474 13 HD22 ASN 27 HD22 ASN 27 3.366 25.485 17.340 14 H LYS 28 HN LYS 28 5.902 23.541 12.879 15 HA LYS 28 HA LYS 28 5.867 24.221 10.051 16 HB2 LYS 28 HB2 LYS 28 8.083 23.039 11.733 17 HB3 LYS 28 HB1 LYS 28 8.242 23.635 10.087 18 HG2 LYS 28 HG2 LYS 28 7.501 25.304 12.482 19 HG3 LYS 28 HG1 LYS 28 9.098 25.226 11.735 20 HD2 LYS 28 HD2 LYS 28 8.129 26.070 9.632 21 HD3 LYS 28 HD1 LYS 28 6.557 26.195 10.423 22 HE2 LYS 28 HE2 LYS 28 7.633 28.361 10.380 23 HE3 LYS 28 HE1 LYS 28 7.521 27.777 12.041 24 HZ1 LYS 28 HZ1 LYS 28 9.685 28.739 11.591 25 HZ2 LYS 28 HZ2 LYS 28 9.940 27.650 10.322 26 HZ3 LYS 28 HZ3 LYS 28 9.835 27.085 11.912 27 H GLY 29 HN GLY 29 5.893 21.395 12.133 28 HA2 GLY 29 HA2 GLY 29 6.276 19.547 9.948 29 HA3 GLY 29 HA1 GLY 29 5.935 19.131 11.619 30 H ALA 30 HN ALA 30 3.588 21.060 11.486 31 HA ALA 30 HA ALA 30 1.560 19.201 11.083 32 HB1 ALA 30 HB1 ALA 30 0.019 21.079 11.177 33 HB2 ALA 30 HB2 ALA 30 1.349 22.202 10.898 34 HB3 ALA 30 HB3 ALA 30 1.290 21.258 12.385 35 H ILE 31 HN ILE 31 2.945 21.554 8.841 36 HA ILE 31 HA ILE 31 1.047 20.955 6.761 37 HB ILE 31 HB ILE 31 2.049 23.185 6.909 38 HG12 ILE 31 HG12 ILE 31 2.790 23.372 4.506 39 HG13 ILE 31 HG11 ILE 31 2.722 21.615 4.414 40 HG21 ILE 31 HG21 ILE 31 4.238 22.586 7.756 41 HG22 ILE 31 HG22 ILE 31 4.397 23.537 6.280 42 HG23 ILE 31 HG23 ILE 31 4.634 21.791 6.232 43 HD11 ILE 31 HD11 ILE 31 0.412 23.450 5.004 44 HD12 ILE 31 HD12 ILE 31 0.335 21.690 4.937 45 HD13 ILE 31 HD13 ILE 31 0.724 22.611 3.485 46 H ILE 32 HN ILE 32 4.255 19.890 7.667 47 HA ILE 32 HA ILE 32 5.067 18.717 5.262 48 HB ILE 32 HB ILE 32 5.688 17.744 8.057 49 HG12 ILE 32 HG12 ILE 32 6.236 20.116 7.802 50 HG13 ILE 32 HG11 ILE 32 7.705 19.150 7.890 51 HG21 ILE 32 HG21 ILE 32 7.740 16.848 7.032 52 HG22 ILE 32 HG22 ILE 32 7.141 17.332 5.446 53 HG23 ILE 32 HG23 ILE 32 6.280 16.106 6.377 54 HD11 ILE 32 HD11 ILE 32 7.961 19.309 5.475 55 HD12 ILE 32 HD12 ILE 32 7.878 20.907 6.218 56 HD13 ILE 32 HD13 ILE 32 6.474 20.252 5.374 57 H GLY 33 HN GLY 33 2.662 17.762 7.533 58 HA2 GLY 33 HA2 GLY 33 2.600 14.987 7.057 59 HA3 GLY 33 HA1 GLY 33 1.252 15.953 7.640 60 H LEU 34 HN LEU 34 1.349 17.680 5.220 61 HA LEU 34 HA LEU 34 -0.463 16.172 3.627 62 HB2 LEU 34 HB2 LEU 34 0.850 18.855 3.258 63 HB3 LEU 34 HB1 LEU 34 -0.221 18.171 2.051 64 HG LEU 34 HG LEU 34 -2.001 18.056 3.835 65 HD11 LEU 34 HD11 LEU 34 -1.712 19.524 5.782 66 HD12 LEU 34 HD12 LEU 34 -0.025 19.770 5.330 67 HD13 LEU 34 HD13 LEU 34 -0.587 18.164 5.798 68 HD21 LEU 34 HD21 LEU 34 -1.989 19.790 2.131 69 HD22 LEU 34 HD22 LEU 34 -0.903 20.769 3.115 70 HD23 LEU 34 HD23 LEU 34 -2.541 20.438 3.676 71 H MET 35 HN MET 35 2.927 16.496 3.669 72 HA MET 35 HA MET 35 3.330 15.796 0.893 73 HB2 MET 35 HB2 MET 35 4.931 17.257 2.041 74 HB3 MET 35 HB1 MET 35 5.283 15.978 3.195 75 HG2 MET 35 HG2 MET 35 6.185 14.600 1.396 76 HG3 MET 35 HG1 MET 35 5.818 15.871 0.233 77 HE1 MET 35 HE1 MET 35 8.321 15.881 -0.646 78 HE2 MET 35 HE2 MET 35 8.691 14.571 0.475 79 HE3 MET 35 HE3 MET 35 9.725 15.997 0.415 80 H VAL 36 HN VAL 36 3.843 14.244 4.052 81 HA VAL 36 HA VAL 36 4.688 11.758 3.005 82 HB VAL 36 HB VAL 36 4.287 10.853 5.244 83 HG11 VAL 36 HG11 VAL 36 5.772 12.352 6.495 84 HG12 VAL 36 HG12 VAL 36 5.527 13.602 5.277 85 HG13 VAL 36 HG13 VAL 36 6.337 12.097 4.844 86 HG21 VAL 36 HG21 VAL 36 3.367 12.280 7.019 87 HG22 VAL 36 HG22 VAL 36 2.185 11.971 5.748 88 HG23 VAL 36 HG23 VAL 36 3.011 13.526 5.823 89 H GLY 37 HN GLY 37 1.608 13.219 3.257 90 HA2 GLY 37 HA2 GLY 37 0.004 10.883 3.471 91 HA3 GLY 37 HA1 GLY 37 -0.531 12.457 2.896 92 H GLY 38 HN GLY 38 1.773 12.240 0.862 93 HA2 GLY 38 HA2 GLY 38 0.147 10.912 -1.161 94 HA3 GLY 38 HA1 GLY 38 1.548 11.932 -1.455 95 H VAL 39 HN VAL 39 3.204 10.500 0.492 96 HA VAL 39 HA VAL 39 4.030 8.344 -1.260 97 HB VAL 39 HB VAL 39 6.020 8.189 0.114 98 HG11 VAL 39 HG11 VAL 39 5.949 9.923 -1.602 99 HG12 VAL 39 HG12 VAL 39 6.920 10.432 -0.222 100 HG13 VAL 39 HG13 VAL 39 5.288 11.063 -0.430 101 HG21 VAL 39 HG21 VAL 39 6.346 9.676 2.053 102 HG22 VAL 39 HG22 VAL 39 5.038 8.522 2.307 103 HG23 VAL 39 HG23 VAL 39 4.668 10.201 1.913 104 H VAL 40 HN VAL 40 2.484 8.753 1.836 105 HA VAL 40 HA VAL 40 2.950 6.193 2.902 106 HB VAL 40 HB VAL 40 2.095 8.061 4.256 107 HG11 VAL 40 HG11 VAL 40 0.543 9.001 2.607 108 HG12 VAL 40 HG12 VAL 40 -0.243 8.712 4.161 109 HG13 VAL 40 HG13 VAL 40 -0.514 7.604 2.813 110 HG21 VAL 40 HG21 VAL 40 0.291 5.642 4.225 111 HG22 VAL 40 HG22 VAL 40 0.468 6.777 5.565 112 HG23 VAL 40 HG23 VAL 40 1.835 5.780 5.066 113 H ILE 41 HN ILE 41 0.374 7.446 0.818 114 HA ILE 41 HA ILE 41 -1.301 5.220 0.819 115 HB ILE 41 HB ILE 41 -0.766 7.057 -1.522 116 HG12 ILE 41 HG12 ILE 41 -2.862 7.287 0.649 117 HG13 ILE 41 HG11 ILE 41 -1.384 8.242 0.589 118 HG21 ILE 41 HG21 ILE 41 -3.149 5.328 -0.869 119 HG22 ILE 41 HG22 ILE 41 -1.967 5.028 -2.142 120 HG23 ILE 41 HG23 ILE 41 -3.023 6.437 -2.234 121 HD11 ILE 41 HD11 ILE 41 -3.253 9.520 -0.242 122 HD12 ILE 41 HD12 ILE 41 -3.609 8.272 -1.434 123 HD13 ILE 41 HD13 ILE 41 -2.114 9.199 -1.549 124 H ALA 42 HN ALA 42 1.630 5.878 -1.010 125 HA ALA 42 HA ALA 42 1.384 3.465 -2.589 126 HB1 ALA 42 HB1 ALA 42 2.388 5.476 -3.560 127 HB2 ALA 42 HB2 ALA 42 3.519 4.123 -3.561 128 HB3 ALA 42 HB3 ALA 42 3.682 5.408 -2.364 129 H THR 43 HN THR 43 2.815 4.455 0.389 130 HA THR 43 HA THR 43 4.840 2.496 0.604 131 HB THR 43 HB THR 43 3.312 3.905 2.805 132 HG1 THR 43 HG1 THR 43 5.837 4.490 1.612 133 HG21 THR 43 HG21 THR 43 5.255 3.357 4.210 134 HG22 THR 43 HG22 THR 43 5.939 2.414 2.886 135 HG23 THR 43 HG23 THR 43 4.430 1.906 3.644 136 H VAL 44 HN VAL 44 1.449 2.561 1.633 137 HA VAL 44 HA VAL 44 1.532 -0.019 2.857 138 HB VAL 44 HB VAL 44 -0.911 1.471 1.886 139 HG11 VAL 44 HG11 VAL 44 -2.062 0.204 3.645 140 HG12 VAL 44 HG12 VAL 44 -0.558 -0.638 4.014 141 HG13 VAL 44 HG13 VAL 44 -1.329 -0.860 2.443 142 HG21 VAL 44 HG21 VAL 44 0.507 1.659 4.541 143 HG22 VAL 44 HG22 VAL 44 -1.060 2.377 4.170 144 HG23 VAL 44 HG23 VAL 44 0.385 2.930 3.324 145 H THR 45 HN THR 45 1.131 1.142 -0.357 146 HA THR 45 HA THR 45 -0.357 -0.955 -1.488 147 HB THR 45 HB THR 45 1.765 0.733 -2.829 148 HG1 THR 45 HG1 THR 45 -0.516 1.478 -1.761 149 HG21 THR 45 HG21 THR 45 0.510 0.238 -4.889 150 HG22 THR 45 HG22 THR 45 -0.545 -0.841 -3.976 151 HG23 THR 45 HG23 THR 45 1.167 -1.225 -4.152 152 H VAL 46 HN VAL 46 3.179 -0.445 -1.465 153 HA VAL 46 HA VAL 46 3.850 -2.883 -2.668 154 HB VAL 46 HB VAL 46 5.432 -1.011 -2.448 155 HG11 VAL 46 HG11 VAL 46 6.621 -0.675 -0.310 156 HG12 VAL 46 HG12 VAL 46 5.481 -1.774 0.467 157 HG13 VAL 46 HG13 VAL 46 4.912 -0.255 -0.222 158 HG21 VAL 46 HG21 VAL 46 7.419 -2.329 -1.940 159 HG22 VAL 46 HG22 VAL 46 6.270 -3.264 -2.897 160 HG23 VAL 46 HG23 VAL 46 6.419 -3.556 -1.164 161 H ILE 47 HN ILE 47 3.051 -2.083 0.629 162 HA ILE 47 HA ILE 47 4.061 -4.494 1.791 163 HB ILE 47 HB ILE 47 2.005 -2.555 2.863 164 HG12 ILE 47 HG12 ILE 47 4.188 -1.506 2.437 165 HG13 ILE 47 HG11 ILE 47 3.858 -1.615 4.161 166 HG21 ILE 47 HG21 ILE 47 3.566 -4.724 4.261 167 HG22 ILE 47 HG22 ILE 47 1.826 -4.704 3.964 168 HG23 ILE 47 HG23 ILE 47 2.549 -3.525 5.060 169 HD11 ILE 47 HD11 ILE 47 6.174 -2.149 3.663 170 HD12 ILE 47 HD12 ILE 47 5.655 -3.450 2.589 171 HD13 ILE 47 HD13 ILE 47 5.332 -3.553 4.320 172 H THR 48 HN THR 48 0.991 -3.455 0.445 173 HA THR 48 HA THR 48 -0.609 -5.571 1.388 174 HB THR 48 HB THR 48 -0.938 -4.003 -1.180 175 HG1 THR 48 HG1 THR 48 -2.417 -3.447 1.127 176 HG21 THR 48 HG21 THR 48 -3.320 -4.583 -0.944 177 HG22 THR 48 HG22 THR 48 -2.929 -5.586 0.453 178 HG23 THR 48 HG23 THR 48 -2.313 -6.017 -1.142 179 H LEU 49 HN LEU 49 1.519 -5.256 -1.381 180 HA LEU 49 HA LEU 49 0.697 -7.553 -2.791 181 HB2 LEU 49 HB2 LEU 49 2.121 -5.721 -3.704 182 HB3 LEU 49 HB1 LEU 49 3.447 -6.306 -2.719 183 HG LEU 49 HG LEU 49 3.276 -8.498 -3.951 184 HD11 LEU 49 HD11 LEU 49 1.497 -6.876 -5.767 185 HD12 LEU 49 HD12 LEU 49 0.995 -8.246 -4.776 186 HD13 LEU 49 HD13 LEU 49 2.127 -8.487 -6.106 187 HD21 LEU 49 HD21 LEU 49 4.449 -7.663 -5.931 188 HD22 LEU 49 HD22 LEU 49 5.002 -6.859 -4.463 189 HD23 LEU 49 HD23 LEU 49 3.904 -6.026 -5.563 190 H VAL 50 HN VAL 50 2.832 -7.068 -0.079 191 HA VAL 50 HA VAL 50 3.821 -9.799 -0.157 192 HB VAL 50 HB VAL 50 4.310 -7.699 1.958 193 HG11 VAL 50 HG11 VAL 50 6.317 -9.047 2.440 194 HG12 VAL 50 HG12 VAL 50 5.782 -10.236 1.252 195 HG13 VAL 50 HG13 VAL 50 4.822 -9.943 2.702 196 HG21 VAL 50 HG21 VAL 50 6.414 -7.230 0.794 197 HG22 VAL 50 HG22 VAL 50 5.019 -6.861 -0.219 198 HG23 VAL 50 HG23 VAL 50 5.945 -8.336 -0.497 199 H MET 51 HN MET 51 1.267 -8.019 1.258 200 HA MET 51 HA MET 51 0.885 -9.564 3.609 201 HB2 MET 51 HB2 MET 51 -0.056 -7.326 3.390 202 HB3 MET 51 HB1 MET 51 -1.064 -7.860 2.050 203 HG2 MET 51 HG2 MET 51 -2.326 -7.676 4.129 204 HG3 MET 51 HG1 MET 51 -2.298 -9.331 3.521 205 HE1 MET 51 HE1 MET 51 -2.336 -9.973 7.355 206 HE2 MET 51 HE2 MET 51 -3.092 -10.318 5.799 207 HE3 MET 51 HE3 MET 51 -3.202 -8.700 6.493 208 H LEU 52 HN LEU 52 -0.325 -9.830 0.306 209 HA LEU 52 HA LEU 52 -2.298 -11.773 0.788 210 HB2 LEU 52 HB2 LEU 52 -2.140 -12.263 -1.620 211 HB3 LEU 52 HB1 LEU 52 -2.273 -10.549 -1.281 212 HG LEU 52 HG LEU 52 0.386 -10.708 -1.444 213 HD11 LEU 52 HD11 LEU 52 -0.593 -12.903 -3.262 214 HD12 LEU 52 HD12 LEU 52 0.429 -13.110 -1.841 215 HD13 LEU 52 HD13 LEU 52 1.034 -12.228 -3.243 216 HD21 LEU 52 HD21 LEU 52 -1.492 -10.558 -3.798 217 HD22 LEU 52 HD22 LEU 52 0.175 -9.986 -3.775 218 HD23 LEU 52 HD23 LEU 52 -1.034 -9.221 -2.743 219 H LYS 53 HN LYS 53 1.164 -12.039 0.256 220 HA LYS 53 HA LYS 53 1.034 -14.938 0.145 221 HB2 LYS 53 HB2 LYS 53 3.480 -14.824 -0.118 222 HB3 LYS 53 HB1 LYS 53 2.642 -13.824 -1.295 223 HG2 LYS 53 HG2 LYS 53 3.157 -11.834 -0.029 224 HG3 LYS 53 HG1 LYS 53 3.908 -12.805 1.238 225 HD2 LYS 53 HD2 LYS 53 4.850 -12.758 -1.624 226 HD3 LYS 53 HD1 LYS 53 5.520 -11.736 -0.351 227 HE2 LYS 53 HE2 LYS 53 5.483 -14.753 -0.365 228 HE3 LYS 53 HE1 LYS 53 6.883 -13.737 -0.708 229 HZ1 LYS 53 HZ1 LYS 53 6.912 -14.544 1.567 230 HZ2 LYS 53 HZ2 LYS 53 5.409 -13.832 1.868 231 HZ3 LYS 53 HZ3 LYS 53 6.754 -12.860 1.540 232 H LYS 54 HN LYS 54 1.289 -12.519 2.500 233 HA LYS 54 HA LYS 54 2.908 -13.800 4.426 234 HB2 LYS 54 HB2 LYS 54 2.378 -11.421 4.557 235 HB3 LYS 54 HB1 LYS 54 0.675 -11.791 4.781 236 HG2 LYS 54 HG2 LYS 54 1.664 -11.193 6.891 237 HG3 LYS 54 HG1 LYS 54 1.216 -12.900 6.911 238 HD2 LYS 54 HD2 LYS 54 3.547 -13.503 6.430 239 HD3 LYS 54 HD1 LYS 54 3.986 -11.794 6.437 240 HE2 LYS 54 HE2 LYS 54 3.304 -11.614 8.769 241 HE3 LYS 54 HE1 LYS 54 2.813 -13.308 8.768 242 HZ1 LYS 54 HZ1 LYS 54 4.995 -13.013 9.762 243 HZ2 LYS 54 HZ2 LYS 54 5.578 -12.314 8.337 244 HZ3 LYS 54 HZ3 LYS 54 5.105 -13.939 8.350 245 H LYS 55 HN LYS 55 -0.281 -14.395 3.342 246 HA LYS 55 HA LYS 55 -1.518 -15.462 5.593 247 HB2 LYS 55 HB2 LYS 55 -1.775 -16.276 2.695 248 HB3 LYS 55 HB1 LYS 55 -2.858 -16.812 3.971 249 HG2 LYS 55 HG2 LYS 55 -3.539 -14.512 4.379 250 HG3 LYS 55 HG1 LYS 55 -2.425 -13.952 3.128 251 HD2 LYS 55 HD2 LYS 55 -3.661 -15.177 1.440 252 HD3 LYS 55 HD1 LYS 55 -4.732 -15.843 2.673 253 HE2 LYS 55 HE2 LYS 55 -5.758 -13.964 1.469 254 HE3 LYS 55 HE1 LYS 55 -5.566 -13.629 3.191 255 HZ1 LYS 55 HZ1 LYS 55 -3.785 -12.657 1.022 256 HZ2 LYS 55 HZ2 LYS 55 -3.575 -12.351 2.673 257 HZ3 LYS 55 HZ3 LYS 55 -4.921 -11.728 1.862 Start of MODEL 18 1 H1 SER 26 HT1 SER 26 -1.084 32.301 2.602 2 H2 SER 26 HT2 SER 26 0.108 32.762 1.494 3 H3 SER 26 HT3 SER 26 0.466 32.713 3.146 4 HA SER 26 HA SER 26 1.415 30.819 2.028 5 HB2 SER 26 HB2 SER 26 0.373 29.044 3.432 6 HB3 SER 26 HB1 SER 26 0.721 30.515 4.339 7 HG SER 26 HG SER 26 -1.581 31.050 3.770 8 H ASN 27 HN ASN 27 0.902 30.895 -0.222 9 HA ASN 27 HA ASN 27 -1.466 29.326 -0.989 10 HB2 ASN 27 HB2 ASN 27 0.186 31.264 -2.622 11 HB3 ASN 27 HB1 ASN 27 -1.174 30.334 -3.239 12 HD21 ASN 27 HD21 ASN 27 -2.337 32.169 -3.764 13 HD22 ASN 27 HD22 ASN 27 -3.067 33.177 -2.566 14 H LYS 28 HN LYS 28 1.175 28.321 -0.052 15 HA LYS 28 HA LYS 28 1.783 26.649 -2.397 16 HB2 LYS 28 HB2 LYS 28 3.594 28.294 -1.999 17 HB3 LYS 28 HB1 LYS 28 3.791 27.656 -0.372 18 HG2 LYS 28 HG2 LYS 28 4.402 25.473 -1.315 19 HG3 LYS 28 HG1 LYS 28 4.243 26.147 -2.939 20 HD2 LYS 28 HD2 LYS 28 6.561 26.177 -2.382 21 HD3 LYS 28 HD1 LYS 28 5.980 27.843 -2.303 22 HE2 LYS 28 HE2 LYS 28 7.433 27.329 -0.412 23 HE3 LYS 28 HE1 LYS 28 5.788 27.666 0.126 24 HZ1 LYS 28 HZ1 LYS 28 6.988 24.968 -0.202 25 HZ2 LYS 28 HZ2 LYS 28 5.403 25.281 0.296 26 HZ3 LYS 28 HZ3 LYS 28 6.702 25.753 1.269 27 H GLY 29 HN GLY 29 1.622 26.932 1.105 28 HA2 GLY 29 HA2 GLY 29 2.369 24.287 1.745 29 HA3 GLY 29 HA1 GLY 29 1.420 25.357 2.763 30 H ALA 30 HN ALA 30 -0.555 25.580 0.461 31 HA ALA 30 HA ALA 30 -2.467 23.801 1.376 32 HB1 ALA 30 HB1 ALA 30 -2.295 25.022 -1.376 33 HB2 ALA 30 HB2 ALA 30 -2.975 25.798 0.055 34 HB3 ALA 30 HB3 ALA 30 -3.743 24.358 -0.617 35 H ILE 31 HN ILE 31 -0.229 23.433 -1.356 36 HA ILE 31 HA ILE 31 -1.297 20.824 -2.009 37 HB ILE 31 HB ILE 31 -0.506 22.304 -3.802 38 HG12 ILE 31 HG12 ILE 31 1.165 19.795 -3.524 39 HG13 ILE 31 HG11 ILE 31 -0.498 19.849 -4.099 40 HG21 ILE 31 HG21 ILE 31 1.301 23.419 -2.640 41 HG22 ILE 31 HG22 ILE 31 1.910 22.668 -4.114 42 HG23 ILE 31 HG23 ILE 31 2.209 21.910 -2.550 43 HD11 ILE 31 HD11 ILE 31 0.204 21.193 -6.010 44 HD12 ILE 31 HD12 ILE 31 1.067 19.656 -5.943 45 HD13 ILE 31 HD13 ILE 31 1.870 21.141 -5.433 46 H ILE 32 HN ILE 32 1.342 22.141 -0.167 47 HA ILE 32 HA ILE 32 3.086 19.965 -0.114 48 HB ILE 32 HB ILE 32 2.508 21.920 2.114 49 HG12 ILE 32 HG12 ILE 32 3.159 23.018 0.015 50 HG13 ILE 32 HG11 ILE 32 4.414 23.180 1.236 51 HG21 ILE 32 HG21 ILE 32 4.872 20.109 1.656 52 HG22 ILE 32 HG22 ILE 32 3.690 19.992 2.960 53 HG23 ILE 32 HG23 ILE 32 4.787 21.371 2.884 54 HD11 ILE 32 HD11 ILE 32 5.693 21.408 0.166 55 HD12 ILE 32 HD12 ILE 32 5.346 22.715 -0.963 56 HD13 ILE 32 HD13 ILE 32 4.425 21.214 -1.044 57 H GLY 33 HN GLY 33 0.053 20.486 1.520 58 HA2 GLY 33 HA2 GLY 33 0.362 18.464 3.500 59 HA3 GLY 33 HA1 GLY 33 -1.153 19.195 2.995 60 H LEU 34 HN LEU 34 -0.460 18.385 0.147 61 HA LEU 34 HA LEU 34 -1.700 15.767 0.311 62 HB2 LEU 34 HB2 LEU 34 -1.086 17.640 -1.960 63 HB3 LEU 34 HB1 LEU 34 -1.642 16.002 -2.246 64 HG LEU 34 HG LEU 34 -3.496 17.544 -2.412 65 HD11 LEU 34 HD11 LEU 34 -5.024 16.540 -0.799 66 HD12 LEU 34 HD12 LEU 34 -3.654 15.916 0.118 67 HD13 LEU 34 HD13 LEU 34 -3.959 15.329 -1.515 68 HD21 LEU 34 HD21 LEU 34 -2.869 18.325 0.432 69 HD22 LEU 34 HD22 LEU 34 -4.247 18.877 -0.518 70 HD23 LEU 34 HD23 LEU 34 -2.610 19.330 -0.994 71 H MET 35 HN MET 35 1.400 16.865 0.392 72 HA MET 35 HA MET 35 2.666 14.999 -1.368 73 HB2 MET 35 HB2 MET 35 3.733 17.123 -0.728 74 HB3 MET 35 HB1 MET 35 3.816 16.576 0.941 75 HG2 MET 35 HG2 MET 35 5.292 14.746 0.262 76 HG3 MET 35 HG1 MET 35 5.218 15.314 -1.404 77 HE1 MET 35 HE1 MET 35 6.216 17.637 -2.221 78 HE2 MET 35 HE2 MET 35 6.987 18.801 -1.144 79 HE3 MET 35 HE3 MET 35 5.259 18.480 -1.002 80 H VAL 36 HN VAL 36 2.201 15.171 2.151 81 HA VAL 36 HA VAL 36 3.496 12.707 2.700 82 HB VAL 36 HB VAL 36 2.431 12.860 4.926 83 HG11 VAL 36 HG11 VAL 36 4.518 14.033 4.506 84 HG12 VAL 36 HG12 VAL 36 3.505 14.953 5.617 85 HG13 VAL 36 HG13 VAL 36 3.628 15.441 3.927 86 HG21 VAL 36 HG21 VAL 36 1.047 14.807 5.477 87 HG22 VAL 36 HG22 VAL 36 0.283 13.791 4.255 88 HG23 VAL 36 HG23 VAL 36 1.069 15.299 3.784 89 H GLY 37 HN GLY 37 0.211 13.585 1.874 90 HA2 GLY 37 HA2 GLY 37 -0.948 11.074 2.625 91 HA3 GLY 37 HA1 GLY 37 -1.708 12.321 1.646 92 H GLY 38 HN GLY 38 0.930 12.072 -0.027 93 HA2 GLY 38 HA2 GLY 38 -0.201 10.072 -1.829 94 HA3 GLY 38 HA1 GLY 38 1.048 11.240 -2.227 95 H VAL 39 HN VAL 39 2.528 10.499 0.277 96 HA VAL 39 HA VAL 39 4.007 8.301 -0.900 97 HB VAL 39 HB VAL 39 5.653 8.696 0.874 98 HG11 VAL 39 HG11 VAL 39 4.734 11.230 -0.480 99 HG12 VAL 39 HG12 VAL 39 5.789 10.001 -1.179 100 HG13 VAL 39 HG13 VAL 39 6.334 10.948 0.205 101 HG21 VAL 39 HG21 VAL 39 3.726 10.808 1.839 102 HG22 VAL 39 HG22 VAL 39 5.362 10.558 2.443 103 HG23 VAL 39 HG23 VAL 39 4.138 9.313 2.678 104 H VAL 40 HN VAL 40 1.924 8.886 1.859 105 HA VAL 40 HA VAL 40 2.540 6.522 3.285 106 HB VAL 40 HB VAL 40 0.351 6.888 4.429 107 HG11 VAL 40 HG11 VAL 40 2.185 9.268 4.183 108 HG12 VAL 40 HG12 VAL 40 2.353 7.913 5.301 109 HG13 VAL 40 HG13 VAL 40 0.999 9.034 5.467 110 HG21 VAL 40 HG21 VAL 40 0.158 9.216 2.520 111 HG22 VAL 40 HG22 VAL 40 -0.868 8.979 3.934 112 HG23 VAL 40 HG23 VAL 40 -0.924 7.824 2.602 113 H ILE 41 HN ILE 41 0.125 7.282 0.820 114 HA ILE 41 HA ILE 41 -1.143 4.714 0.969 115 HB ILE 41 HB ILE 41 -1.304 6.746 -1.260 116 HG12 ILE 41 HG12 ILE 41 -1.930 7.753 0.886 117 HG13 ILE 41 HG11 ILE 41 -3.342 7.553 -0.146 118 HG21 ILE 41 HG21 ILE 41 -3.464 5.668 -1.744 119 HG22 ILE 41 HG22 ILE 41 -3.131 4.475 -0.487 120 HG23 ILE 41 HG23 ILE 41 -2.106 4.556 -1.919 121 HD11 ILE 41 HD11 ILE 41 -3.848 6.979 2.152 122 HD12 ILE 41 HD12 ILE 41 -2.560 5.774 2.153 123 HD13 ILE 41 HD13 ILE 41 -3.971 5.557 1.116 124 H ALA 42 HN ALA 42 1.535 6.069 -0.770 125 HA ALA 42 HA ALA 42 1.621 3.999 -2.776 126 HB1 ALA 42 HB1 ALA 42 3.689 6.070 -2.040 127 HB2 ALA 42 HB2 ALA 42 2.434 6.252 -3.268 128 HB3 ALA 42 HB3 ALA 42 3.707 5.049 -3.477 129 H THR 43 HN THR 43 2.942 4.514 0.391 130 HA THR 43 HA THR 43 4.999 2.513 0.148 131 HB THR 43 HB THR 43 3.909 3.878 2.618 132 HG1 THR 43 HG1 THR 43 5.476 5.351 2.296 133 HG21 THR 43 HG21 THR 43 5.995 3.132 3.684 134 HG22 THR 43 HG22 THR 43 6.423 2.247 2.220 135 HG23 THR 43 HG23 THR 43 5.010 1.765 3.159 136 H VAL 44 HN VAL 44 1.744 2.709 1.489 137 HA VAL 44 HA VAL 44 1.792 0.151 2.739 138 HB VAL 44 HB VAL 44 0.219 1.937 3.403 139 HG11 VAL 44 HG11 VAL 44 -0.313 2.821 1.201 140 HG12 VAL 44 HG12 VAL 44 -1.784 2.359 2.056 141 HG13 VAL 44 HG13 VAL 44 -1.140 1.322 0.783 142 HG21 VAL 44 HG21 VAL 44 -1.747 0.505 3.690 143 HG22 VAL 44 HG22 VAL 44 -0.251 -0.376 4.003 144 HG23 VAL 44 HG23 VAL 44 -1.108 -0.609 2.479 145 H THR 45 HN THR 45 1.245 1.232 -0.495 146 HA THR 45 HA THR 45 -0.354 -0.823 -1.506 147 HB THR 45 HB THR 45 1.845 0.678 -2.942 148 HG1 THR 45 HG1 THR 45 -0.526 1.561 -3.633 149 HG21 THR 45 HG21 THR 45 1.175 -1.316 -4.171 150 HG22 THR 45 HG22 THR 45 0.571 0.131 -4.980 151 HG23 THR 45 HG23 THR 45 -0.523 -0.863 -4.015 152 H VAL 46 HN VAL 46 3.205 -0.561 -1.585 153 HA VAL 46 HA VAL 46 3.713 -3.069 -2.690 154 HB VAL 46 HB VAL 46 5.472 -1.590 -0.730 155 HG11 VAL 46 HG11 VAL 46 6.187 -3.883 -1.097 156 HG12 VAL 46 HG12 VAL 46 7.307 -2.762 -1.871 157 HG13 VAL 46 HG13 VAL 46 6.126 -3.641 -2.843 158 HG21 VAL 46 HG21 VAL 46 6.519 -0.584 -2.706 159 HG22 VAL 46 HG22 VAL 46 4.819 -0.136 -2.571 160 HG23 VAL 46 HG23 VAL 46 5.317 -1.365 -3.733 161 H ILE 47 HN ILE 47 3.201 -2.101 0.658 162 HA ILE 47 HA ILE 47 4.005 -4.497 1.895 163 HB ILE 47 HB ILE 47 1.907 -2.541 2.843 164 HG12 ILE 47 HG12 ILE 47 4.061 -1.448 2.384 165 HG13 ILE 47 HG11 ILE 47 3.724 -1.491 4.109 166 HG21 ILE 47 HG21 ILE 47 3.514 -4.604 4.343 167 HG22 ILE 47 HG22 ILE 47 1.776 -4.632 4.046 168 HG23 ILE 47 HG23 ILE 47 2.472 -3.390 5.088 169 HD11 ILE 47 HD11 ILE 47 5.583 -3.336 2.626 170 HD12 ILE 47 HD12 ILE 47 5.247 -3.385 4.357 171 HD13 ILE 47 HD13 ILE 47 6.055 -1.983 3.654 172 H THR 48 HN THR 48 0.965 -3.499 0.443 173 HA THR 48 HA THR 48 -0.667 -5.560 1.433 174 HB THR 48 HB THR 48 -0.910 -4.119 -1.216 175 HG1 THR 48 HG1 THR 48 -2.574 -3.359 0.818 176 HG21 THR 48 HG21 THR 48 -3.297 -4.682 -1.043 177 HG22 THR 48 HG22 THR 48 -2.968 -5.605 0.423 178 HG23 THR 48 HG23 THR 48 -2.293 -6.131 -1.118 179 H LEU 49 HN LEU 49 1.373 -5.364 -1.453 180 HA LEU 49 HA LEU 49 0.587 -7.820 -2.594 181 HB2 LEU 49 HB2 LEU 49 2.996 -6.064 -2.895 182 HB3 LEU 49 HB1 LEU 49 2.938 -7.628 -3.684 183 HG LEU 49 HG LEU 49 0.867 -6.919 -4.861 184 HD11 LEU 49 HD11 LEU 49 0.283 -4.540 -4.884 185 HD12 LEU 49 HD12 LEU 49 1.478 -4.240 -3.621 186 HD13 LEU 49 HD13 LEU 49 0.073 -5.252 -3.284 187 HD21 LEU 49 HD21 LEU 49 3.255 -5.118 -5.249 188 HD22 LEU 49 HD22 LEU 49 1.981 -5.419 -6.431 189 HD23 LEU 49 HD23 LEU 49 3.050 -6.730 -5.935 190 H VAL 50 HN VAL 50 2.653 -7.060 0.053 191 HA VAL 50 HA VAL 50 4.089 -9.567 -0.005 192 HB VAL 50 HB VAL 50 3.953 -7.530 2.222 193 HG11 VAL 50 HG11 VAL 50 5.930 -9.735 1.650 194 HG12 VAL 50 HG12 VAL 50 4.753 -9.700 2.961 195 HG13 VAL 50 HG13 VAL 50 6.077 -8.538 2.937 196 HG21 VAL 50 HG21 VAL 50 6.053 -6.654 1.336 197 HG22 VAL 50 HG22 VAL 50 4.755 -6.511 0.152 198 HG23 VAL 50 HG23 VAL 50 5.964 -7.783 -0.013 199 H MET 51 HN MET 51 1.191 -8.304 1.399 200 HA MET 51 HA MET 51 0.938 -10.293 3.450 201 HB2 MET 51 HB2 MET 51 -1.079 -8.375 2.273 202 HB3 MET 51 HB1 MET 51 -1.377 -9.401 3.669 203 HG2 MET 51 HG2 MET 51 0.370 -8.270 4.908 204 HG3 MET 51 HG1 MET 51 0.753 -7.282 3.502 205 HE1 MET 51 HE1 MET 51 -2.837 -8.363 4.694 206 HE2 MET 51 HE2 MET 51 -3.265 -7.027 5.763 207 HE3 MET 51 HE3 MET 51 -1.967 -8.134 6.212 208 H LEU 52 HN LEU 52 -0.692 -9.725 0.334 209 HA LEU 52 HA LEU 52 -2.233 -12.094 0.421 210 HB2 LEU 52 HB2 LEU 52 -2.518 -11.686 -2.043 211 HB3 LEU 52 HB1 LEU 52 -2.990 -10.363 -0.996 212 HG LEU 52 HG LEU 52 -0.597 -9.452 -1.489 213 HD11 LEU 52 HD11 LEU 52 -1.021 -11.356 -3.784 214 HD12 LEU 52 HD12 LEU 52 0.305 -11.366 -2.621 215 HD13 LEU 52 HD13 LEU 52 0.154 -10.043 -3.777 216 HD21 LEU 52 HD21 LEU 52 -2.777 -9.432 -3.572 217 HD22 LEU 52 HD22 LEU 52 -1.457 -8.269 -3.448 218 HD23 LEU 52 HD23 LEU 52 -2.669 -8.367 -2.170 219 H LYS 53 HN LYS 53 1.058 -11.533 -0.269 220 HA LYS 53 HA LYS 53 1.393 -13.918 -1.884 221 HB2 LYS 53 HB2 LYS 53 2.735 -11.828 -2.238 222 HB3 LYS 53 HB1 LYS 53 3.522 -12.131 -0.696 223 HG2 LYS 53 HG2 LYS 53 4.395 -14.244 -1.551 224 HG3 LYS 53 HG1 LYS 53 3.600 -13.948 -3.096 225 HD2 LYS 53 HD2 LYS 53 5.696 -12.160 -1.865 226 HD3 LYS 53 HD1 LYS 53 6.008 -13.369 -3.112 227 HE2 LYS 53 HE2 LYS 53 4.483 -12.198 -4.624 228 HE3 LYS 53 HE1 LYS 53 4.159 -10.997 -3.377 229 HZ1 LYS 53 HZ1 LYS 53 6.790 -11.514 -4.654 230 HZ2 LYS 53 HZ2 LYS 53 6.506 -10.384 -3.430 231 HZ3 LYS 53 HZ3 LYS 53 5.785 -10.183 -4.948 232 H LYS 54 HN LYS 54 1.418 -13.059 1.426 233 HA LYS 54 HA LYS 54 3.226 -14.936 2.469 234 HB2 LYS 54 HB2 LYS 54 2.301 -13.076 3.783 235 HB3 LYS 54 HB1 LYS 54 0.710 -13.818 3.722 236 HG2 LYS 54 HG2 LYS 54 1.544 -15.726 4.996 237 HG3 LYS 54 HG1 LYS 54 3.147 -14.990 5.048 238 HD2 LYS 54 HD2 LYS 54 0.661 -13.697 6.159 239 HD3 LYS 54 HD1 LYS 54 1.782 -14.662 7.120 240 HE2 LYS 54 HE2 LYS 54 3.592 -13.110 6.556 241 HE3 LYS 54 HE1 LYS 54 2.468 -12.145 5.601 242 HZ1 LYS 54 HZ1 LYS 54 1.203 -11.686 7.599 243 HZ2 LYS 54 HZ2 LYS 54 2.813 -11.210 7.807 244 HZ3 LYS 54 HZ3 LYS 54 2.256 -12.638 8.523 245 H LYS 55 HN LYS 55 0.054 -15.277 1.170 246 HA LYS 55 HA LYS 55 -0.799 -17.628 2.426 247 HB2 LYS 55 HB2 LYS 55 -1.354 -16.586 -0.357 248 HB3 LYS 55 HB1 LYS 55 -2.214 -17.930 0.386 249 HG2 LYS 55 HG2 LYS 55 -3.164 -16.522 2.041 250 HG3 LYS 55 HG1 LYS 55 -2.108 -15.179 1.594 251 HD2 LYS 55 HD2 LYS 55 -3.213 -14.941 -0.523 252 HD3 LYS 55 HD1 LYS 55 -4.161 -16.402 -0.244 253 HE2 LYS 55 HE2 LYS 55 -5.466 -14.357 0.155 254 HE3 LYS 55 HE1 LYS 55 -5.308 -15.343 1.608 255 HZ1 LYS 55 HZ1 LYS 55 -3.687 -12.935 0.970 256 HZ2 LYS 55 HZ2 LYS 55 -3.549 -13.875 2.371 257 HZ3 LYS 55 HZ3 LYS 55 -4.966 -12.998 2.078 Start of MODEL 19 1 H1 SER 26 HT1 SER 26 -11.365 24.523 -8.509 2 H2 SER 26 HT2 SER 26 -11.824 22.989 -9.055 3 H3 SER 26 HT3 SER 26 -11.172 24.111 -10.138 4 HA SER 26 HA SER 26 -9.740 22.897 -7.850 5 HB2 SER 26 HB2 SER 26 -8.438 21.702 -9.571 6 HB3 SER 26 HB1 SER 26 -10.149 21.281 -9.653 7 HG SER 26 HG SER 26 -9.213 21.729 -11.718 8 H ASN 27 HN ASN 27 -7.520 23.448 -7.712 9 HA ASN 27 HA ASN 27 -6.638 25.737 -9.310 10 HB2 ASN 27 HB2 ASN 27 -6.654 25.665 -6.286 11 HB3 ASN 27 HB1 ASN 27 -5.823 26.882 -7.252 12 HD21 ASN 27 HD21 ASN 27 -8.900 25.655 -6.213 13 HD22 ASN 27 HD22 ASN 27 -9.839 27.019 -6.705 14 H LYS 28 HN LYS 28 -4.261 26.304 -8.210 15 HA LYS 28 HA LYS 28 -2.611 24.195 -9.073 16 HB2 LYS 28 HB2 LYS 28 -1.954 26.589 -9.070 17 HB3 LYS 28 HB1 LYS 28 -1.860 26.538 -7.316 18 HG2 LYS 28 HG2 LYS 28 -0.074 24.887 -7.445 19 HG3 LYS 28 HG1 LYS 28 -0.181 24.901 -9.205 20 HD2 LYS 28 HD2 LYS 28 0.404 27.298 -9.196 21 HD3 LYS 28 HD1 LYS 28 0.572 27.231 -7.439 22 HE2 LYS 28 HE2 LYS 28 2.743 27.068 -8.556 23 HE3 LYS 28 HE1 LYS 28 2.363 25.599 -7.657 24 HZ1 LYS 28 HZ1 LYS 28 1.670 24.560 -9.731 25 HZ2 LYS 28 HZ2 LYS 28 3.277 25.077 -9.821 26 HZ3 LYS 28 HZ3 LYS 28 2.060 25.965 -10.589 27 H GLY 29 HN GLY 29 -3.710 25.177 -5.875 28 HA2 GLY 29 HA2 GLY 29 -1.989 23.387 -4.450 29 HA3 GLY 29 HA1 GLY 29 -3.368 24.250 -3.790 30 H ALA 30 HN ALA 30 -5.031 23.048 -6.035 31 HA ALA 30 HA ALA 30 -6.213 20.985 -4.598 32 HB1 ALA 30 HB1 ALA 30 -7.330 22.205 -6.401 33 HB2 ALA 30 HB2 ALA 30 -7.433 20.459 -6.635 34 HB3 ALA 30 HB3 ALA 30 -6.288 21.412 -7.581 35 H ILE 31 HN ILE 31 -3.819 20.797 -7.217 36 HA ILE 31 HA ILE 31 -3.783 17.935 -7.214 37 HB ILE 31 HB ILE 31 -3.225 19.151 -9.247 38 HG12 ILE 31 HG12 ILE 31 -0.743 17.737 -8.267 39 HG13 ILE 31 HG11 ILE 31 -2.220 16.882 -8.700 40 HG21 ILE 31 HG21 ILE 31 -1.092 20.365 -9.440 41 HG22 ILE 31 HG22 ILE 31 -0.831 20.150 -7.710 42 HG23 ILE 31 HG23 ILE 31 -2.191 21.115 -8.283 43 HD11 ILE 31 HD11 ILE 31 -0.552 18.599 -10.522 44 HD12 ILE 31 HD12 ILE 31 -2.059 17.799 -10.970 45 HD13 ILE 31 HD13 ILE 31 -0.647 16.838 -10.528 46 H ILE 32 HN ILE 32 -1.988 20.443 -5.574 47 HA ILE 32 HA ILE 32 0.290 19.032 -4.816 48 HB ILE 32 HB ILE 32 -1.208 21.121 -3.224 49 HG12 ILE 32 HG12 ILE 32 1.125 21.364 -5.140 50 HG13 ILE 32 HG11 ILE 32 -0.525 21.885 -5.459 51 HG21 ILE 32 HG21 ILE 32 1.630 20.136 -2.951 52 HG22 ILE 32 HG22 ILE 32 0.317 19.864 -1.807 53 HG23 ILE 32 HG23 ILE 32 0.928 21.497 -2.075 54 HD11 ILE 32 HD11 ILE 32 0.847 23.779 -4.900 55 HD12 ILE 32 HD12 ILE 32 1.340 23.017 -3.389 56 HD13 ILE 32 HD13 ILE 32 -0.336 23.510 -3.624 57 H GLY 33 HN GLY 33 -2.986 18.824 -3.669 58 HA2 GLY 33 HA2 GLY 33 -2.426 17.469 -1.223 59 HA3 GLY 33 HA1 GLY 33 -3.982 17.543 -2.037 60 H LEU 34 HN LEU 34 -2.901 16.429 -4.531 61 HA LEU 34 HA LEU 34 -3.132 13.639 -3.807 62 HB2 LEU 34 HB2 LEU 34 -2.916 15.070 -6.452 63 HB3 LEU 34 HB1 LEU 34 -2.949 13.322 -6.325 64 HG LEU 34 HG LEU 34 -5.144 14.098 -6.902 65 HD11 LEU 34 HD11 LEU 34 -5.070 13.298 -3.997 66 HD12 LEU 34 HD12 LEU 34 -5.032 12.201 -5.376 67 HD13 LEU 34 HD13 LEU 34 -6.464 13.183 -5.071 68 HD21 LEU 34 HD21 LEU 34 -6.415 15.632 -5.516 69 HD22 LEU 34 HD22 LEU 34 -4.927 16.395 -6.077 70 HD23 LEU 34 HD23 LEU 34 -5.045 15.805 -4.419 71 H MET 35 HN MET 35 -0.628 15.802 -4.028 72 HA MET 35 HA MET 35 1.364 14.082 -5.183 73 HB2 MET 35 HB2 MET 35 1.546 16.525 -5.338 74 HB3 MET 35 HB1 MET 35 1.657 16.634 -3.587 75 HG2 MET 35 HG2 MET 35 3.838 16.861 -4.604 76 HG3 MET 35 HG1 MET 35 3.753 15.390 -3.635 77 HE1 MET 35 HE1 MET 35 3.773 16.901 -7.250 78 HE2 MET 35 HE2 MET 35 2.245 16.022 -7.226 79 HE3 MET 35 HE3 MET 35 3.568 15.462 -8.249 80 H VAL 36 HN VAL 36 0.888 15.397 -1.897 81 HA VAL 36 HA VAL 36 2.753 13.547 -0.751 82 HB VAL 36 HB VAL 36 2.042 14.464 1.416 83 HG11 VAL 36 HG11 VAL 36 2.764 16.772 1.039 84 HG12 VAL 36 HG12 VAL 36 2.516 16.565 -0.696 85 HG13 VAL 36 HG13 VAL 36 3.756 15.626 0.138 86 HG21 VAL 36 HG21 VAL 36 0.049 16.040 -0.213 87 HG22 VAL 36 HG22 VAL 36 0.391 16.278 1.500 88 HG23 VAL 36 HG23 VAL 36 -0.328 14.765 0.947 89 H GLY 37 HN GLY 37 -0.612 13.519 -1.456 90 HA2 GLY 37 HA2 GLY 37 -1.269 11.471 0.481 91 HA3 GLY 37 HA1 GLY 37 -2.340 12.133 -0.745 92 H GLY 38 HN GLY 38 0.086 11.533 -2.637 93 HA2 GLY 38 HA2 GLY 38 -0.912 8.890 -3.364 94 HA3 GLY 38 HA1 GLY 38 0.115 9.922 -4.347 95 H VAL 39 HN VAL 39 1.898 10.318 -1.929 96 HA VAL 39 HA VAL 39 3.626 8.078 -2.489 97 HB VAL 39 HB VAL 39 5.256 9.194 -1.059 98 HG11 VAL 39 HG11 VAL 39 5.082 9.911 -3.373 99 HG12 VAL 39 HG12 VAL 39 5.500 11.276 -2.335 100 HG13 VAL 39 HG13 VAL 39 3.850 11.093 -2.932 101 HG21 VAL 39 HG21 VAL 39 3.048 11.169 -0.485 102 HG22 VAL 39 HG22 VAL 39 4.735 11.348 0.002 103 HG23 VAL 39 HG23 VAL 39 3.760 10.036 0.664 104 H VAL 40 HN VAL 40 1.612 9.179 0.171 105 HA VAL 40 HA VAL 40 2.609 7.358 2.110 106 HB VAL 40 HB VAL 40 -0.086 8.723 2.004 107 HG11 VAL 40 HG11 VAL 40 -0.083 6.834 3.536 108 HG12 VAL 40 HG12 VAL 40 -0.122 8.352 4.431 109 HG13 VAL 40 HG13 VAL 40 1.382 7.441 4.308 110 HG21 VAL 40 HG21 VAL 40 0.906 10.403 3.454 111 HG22 VAL 40 HG22 VAL 40 1.802 10.295 1.939 112 HG23 VAL 40 HG23 VAL 40 2.454 9.559 3.402 113 H ILE 41 HN ILE 41 -0.272 7.312 0.018 114 HA ILE 41 HA ILE 41 -1.270 4.832 0.879 115 HB ILE 41 HB ILE 41 -1.579 6.123 -1.835 116 HG12 ILE 41 HG12 ILE 41 -2.327 7.576 0.001 117 HG13 ILE 41 HG11 ILE 41 -3.691 7.006 -0.956 118 HG21 ILE 41 HG21 ILE 41 -2.166 3.781 -1.923 119 HG22 ILE 41 HG22 ILE 41 -3.628 4.763 -2.002 120 HG23 ILE 41 HG23 ILE 41 -3.189 3.955 -0.498 121 HD11 ILE 41 HD11 ILE 41 -4.193 5.340 0.756 122 HD12 ILE 41 HD12 ILE 41 -4.205 6.977 1.412 123 HD13 ILE 41 HD13 ILE 41 -2.830 5.915 1.714 124 H ALA 42 HN ALA 42 1.126 5.692 -1.543 125 HA ALA 42 HA ALA 42 1.333 3.124 -2.737 126 HB1 ALA 42 HB1 ALA 42 3.371 5.347 -2.642 127 HB2 ALA 42 HB2 ALA 42 2.105 5.159 -3.857 128 HB3 ALA 42 HB3 ALA 42 3.393 3.962 -3.734 129 H THR 43 HN THR 43 2.738 4.608 0.082 130 HA THR 43 HA THR 43 4.892 2.832 0.481 131 HB THR 43 HB THR 43 3.322 4.340 2.585 132 HG1 THR 43 HG1 THR 43 4.201 6.020 1.644 133 HG21 THR 43 HG21 THR 43 6.125 3.214 2.626 134 HG22 THR 43 HG22 THR 43 4.745 2.592 3.529 135 HG23 THR 43 HG23 THR 43 5.392 4.189 3.898 136 H VAL 44 HN VAL 44 1.490 2.683 1.338 137 HA VAL 44 HA VAL 44 1.814 0.295 2.935 138 HB VAL 44 HB VAL 44 -0.749 1.544 1.937 139 HG11 VAL 44 HG11 VAL 44 -1.782 0.360 3.805 140 HG12 VAL 44 HG12 VAL 44 -0.219 -0.333 4.238 141 HG13 VAL 44 HG13 VAL 44 -0.979 -0.766 2.707 142 HG21 VAL 44 HG21 VAL 44 -0.876 2.640 4.128 143 HG22 VAL 44 HG22 VAL 44 0.525 3.181 3.203 144 HG23 VAL 44 HG23 VAL 44 0.731 2.027 4.521 145 H THR 45 HN THR 45 1.133 1.114 -0.353 146 HA THR 45 HA THR 45 -0.242 -1.151 -1.224 147 HB THR 45 HB THR 45 1.780 0.472 -2.784 148 HG1 THR 45 HG1 THR 45 -0.782 0.986 -1.914 149 HG21 THR 45 HG21 THR 45 -0.488 -1.290 -3.722 150 HG22 THR 45 HG22 THR 45 1.232 -1.647 -3.874 151 HG23 THR 45 HG23 THR 45 0.531 -0.289 -4.755 152 H VAL 46 HN VAL 46 3.267 -0.542 -1.166 153 HA VAL 46 HA VAL 46 4.080 -2.975 -2.265 154 HB VAL 46 HB VAL 46 5.611 -1.091 -1.992 155 HG11 VAL 46 HG11 VAL 46 5.454 -1.709 0.954 156 HG12 VAL 46 HG12 VAL 46 4.860 -0.254 0.151 157 HG13 VAL 46 HG13 VAL 46 6.591 -0.587 0.207 158 HG21 VAL 46 HG21 VAL 46 7.576 -2.332 -1.216 159 HG22 VAL 46 HG22 VAL 46 6.552 -3.325 -2.254 160 HG23 VAL 46 HG23 VAL 46 6.521 -3.553 -0.506 161 H ILE 47 HN ILE 47 3.105 -2.152 0.990 162 HA ILE 47 HA ILE 47 4.069 -4.596 2.165 163 HB ILE 47 HB ILE 47 2.033 -2.694 3.323 164 HG12 ILE 47 HG12 ILE 47 4.037 -1.440 2.677 165 HG13 ILE 47 HG11 ILE 47 3.919 -1.564 4.428 166 HG21 ILE 47 HG21 ILE 47 2.855 -3.547 5.471 167 HG22 ILE 47 HG22 ILE 47 3.931 -4.649 4.613 168 HG23 ILE 47 HG23 ILE 47 2.183 -4.830 4.466 169 HD11 ILE 47 HD11 ILE 47 6.200 -1.876 3.694 170 HD12 ILE 47 HD12 ILE 47 5.705 -3.208 2.649 171 HD13 ILE 47 HD13 ILE 47 5.576 -3.365 4.401 172 H THR 48 HN THR 48 1.165 -3.528 0.609 173 HA THR 48 HA THR 48 -0.495 -5.643 1.641 174 HB THR 48 HB THR 48 -0.997 -3.781 -0.690 175 HG1 THR 48 HG1 THR 48 -2.276 -3.464 1.773 176 HG21 THR 48 HG21 THR 48 -2.410 -5.776 -0.750 177 HG22 THR 48 HG22 THR 48 -3.359 -4.347 -0.333 178 HG23 THR 48 HG23 THR 48 -2.892 -5.495 0.924 179 H LEU 49 HN LEU 49 1.514 -5.098 -1.159 180 HA LEU 49 HA LEU 49 0.478 -7.194 -2.767 181 HB2 LEU 49 HB2 LEU 49 1.746 -5.372 -3.740 182 HB3 LEU 49 HB1 LEU 49 3.157 -5.808 -2.796 183 HG LEU 49 HG LEU 49 3.251 -7.976 -4.033 184 HD11 LEU 49 HD11 LEU 49 0.914 -8.099 -4.713 185 HD12 LEU 49 HD12 LEU 49 1.987 -8.183 -6.111 186 HD13 LEU 49 HD13 LEU 49 1.132 -6.685 -5.747 187 HD21 LEU 49 HD21 LEU 49 4.166 -7.012 -6.083 188 HD22 LEU 49 HD22 LEU 49 4.661 -6.087 -4.665 189 HD23 LEU 49 HD23 LEU 49 3.382 -5.476 -5.717 190 H VAL 50 HN VAL 50 2.834 -7.054 -0.203 191 HA VAL 50 HA VAL 50 3.831 -9.726 -0.755 192 HB VAL 50 HB VAL 50 5.343 -7.922 0.066 193 HG11 VAL 50 HG11 VAL 50 5.297 -7.339 2.448 194 HG12 VAL 50 HG12 VAL 50 3.805 -8.260 2.635 195 HG13 VAL 50 HG13 VAL 50 3.831 -6.824 1.613 196 HG21 VAL 50 HG21 VAL 50 5.104 -10.351 1.838 197 HG22 VAL 50 HG22 VAL 50 6.532 -9.326 1.693 198 HG23 VAL 50 HG23 VAL 50 5.971 -10.257 0.304 199 H MET 51 HN MET 51 1.400 -8.229 1.148 200 HA MET 51 HA MET 51 1.234 -10.264 3.161 201 HB2 MET 51 HB2 MET 51 0.479 -7.950 3.567 202 HB3 MET 51 HB1 MET 51 -0.790 -8.164 2.368 203 HG2 MET 51 HG2 MET 51 -1.687 -8.393 4.594 204 HG3 MET 51 HG1 MET 51 -1.785 -9.928 3.736 205 HE1 MET 51 HE1 MET 51 -2.144 -9.683 6.891 206 HE2 MET 51 HE2 MET 51 -1.189 -11.062 7.436 207 HE3 MET 51 HE3 MET 51 -2.222 -11.211 6.014 208 H LEU 52 HN LEU 52 -0.249 -9.690 0.041 209 HA LEU 52 HA LEU 52 -2.188 -11.817 0.410 210 HB2 LEU 52 HB2 LEU 52 -2.893 -11.274 -1.881 211 HB3 LEU 52 HB1 LEU 52 -2.893 -9.874 -0.826 212 HG LEU 52 HG LEU 52 -0.490 -9.504 -1.874 213 HD11 LEU 52 HD11 LEU 52 -1.939 -11.074 -4.001 214 HD12 LEU 52 HD12 LEU 52 -0.448 -11.544 -3.181 215 HD13 LEU 52 HD13 LEU 52 -0.461 -10.139 -4.245 216 HD21 LEU 52 HD21 LEU 52 -1.531 -8.058 -3.558 217 HD22 LEU 52 HD22 LEU 52 -2.329 -7.925 -1.992 218 HD23 LEU 52 HD23 LEU 52 -3.075 -8.864 -3.283 219 H LYS 53 HN LYS 53 1.006 -11.477 -0.746 220 HA LYS 53 HA LYS 53 0.990 -13.667 -2.586 221 HB2 LYS 53 HB2 LYS 53 2.644 -11.839 -2.713 222 HB3 LYS 53 HB1 LYS 53 3.311 -12.341 -1.167 223 HG2 LYS 53 HG2 LYS 53 4.718 -13.145 -2.933 224 HG3 LYS 53 HG1 LYS 53 3.910 -14.518 -2.174 225 HD2 LYS 53 HD2 LYS 53 2.269 -14.554 -3.990 226 HD3 LYS 53 HD1 LYS 53 3.075 -13.178 -4.746 227 HE2 LYS 53 HE2 LYS 53 5.103 -14.505 -5.014 228 HE3 LYS 53 HE1 LYS 53 4.319 -15.877 -4.234 229 HZ1 LYS 53 HZ1 LYS 53 4.308 -16.047 -6.661 230 HZ2 LYS 53 HZ2 LYS 53 3.412 -14.617 -6.764 231 HZ3 LYS 53 HZ3 LYS 53 2.740 -15.984 -6.032 232 H LYS 54 HN LYS 54 1.074 -13.413 0.809 233 HA LYS 54 HA LYS 54 2.601 -15.668 1.500 234 HB2 LYS 54 HB2 LYS 54 0.252 -14.420 2.937 235 HB3 LYS 54 HB1 LYS 54 1.348 -15.598 3.641 236 HG2 LYS 54 HG2 LYS 54 3.203 -14.055 3.407 237 HG3 LYS 54 HG1 LYS 54 2.144 -12.877 2.628 238 HD2 LYS 54 HD2 LYS 54 2.414 -12.246 4.925 239 HD3 LYS 54 HD1 LYS 54 0.767 -12.839 4.706 240 HE2 LYS 54 HE2 LYS 54 1.434 -15.011 5.623 241 HE3 LYS 54 HE1 LYS 54 3.078 -14.415 5.840 242 HZ1 LYS 54 HZ1 LYS 54 1.802 -14.319 7.896 243 HZ2 LYS 54 HZ2 LYS 54 0.662 -13.306 7.167 244 HZ3 LYS 54 HZ3 LYS 54 2.249 -12.768 7.391 245 H LYS 55 HN LYS 55 -0.439 -15.404 -0.001 246 HA LYS 55 HA LYS 55 -1.532 -17.900 0.887 247 HB2 LYS 55 HB2 LYS 55 -2.252 -15.959 -1.297 248 HB3 LYS 55 HB1 LYS 55 -3.079 -17.502 -1.134 249 HG2 LYS 55 HG2 LYS 55 -4.413 -15.892 -0.036 250 HG3 LYS 55 HG1 LYS 55 -3.630 -16.845 1.227 251 HD2 LYS 55 HD2 LYS 55 -1.928 -15.074 1.466 252 HD3 LYS 55 HD1 LYS 55 -2.778 -14.118 0.251 253 HE2 LYS 55 HE2 LYS 55 -3.371 -13.358 2.473 254 HE3 LYS 55 HE1 LYS 55 -4.770 -14.092 1.690 255 HZ1 LYS 55 HZ1 LYS 55 -4.353 -16.122 2.939 256 HZ2 LYS 55 HZ2 LYS 55 -4.575 -14.810 3.982 257 HZ3 LYS 55 HZ3 LYS 55 -3.020 -15.409 3.698 Start of MODEL 20 1 H1 SER 26 HT1 SER 26 -12.288 19.343 -10.417 2 H2 SER 26 HT2 SER 26 -13.084 18.564 -9.144 3 H3 SER 26 HT3 SER 26 -12.714 17.710 -10.556 4 HA SER 26 HA SER 26 -10.723 18.859 -8.691 5 HB2 SER 26 HB2 SER 26 -10.263 16.498 -8.079 6 HB3 SER 26 HB1 SER 26 -11.899 16.994 -7.646 7 HG SER 26 HG SER 26 -11.064 15.069 -9.392 8 H ASN 27 HN ASN 27 -9.313 19.660 -10.179 9 HA ASN 27 HA ASN 27 -7.652 17.804 -11.554 10 HB2 ASN 27 HB2 ASN 27 -8.044 18.688 -13.849 11 HB3 ASN 27 HB1 ASN 27 -9.426 17.807 -13.201 12 HD21 ASN 27 HD21 ASN 27 -11.285 18.926 -12.633 13 HD22 ASN 27 HD22 ASN 27 -11.585 20.542 -13.173 14 H LYS 28 HN LYS 28 -5.752 18.749 -12.363 15 HA LYS 28 HA LYS 28 -4.046 20.237 -12.489 16 HB2 LYS 28 HB2 LYS 28 -6.188 22.355 -12.236 17 HB3 LYS 28 HB1 LYS 28 -4.528 22.622 -12.745 18 HG2 LYS 28 HG2 LYS 28 -4.907 21.214 -14.711 19 HG3 LYS 28 HG1 LYS 28 -6.579 20.970 -14.203 20 HD2 LYS 28 HD2 LYS 28 -6.982 23.380 -14.380 21 HD3 LYS 28 HD1 LYS 28 -5.309 23.621 -14.889 22 HE2 LYS 28 HE2 LYS 28 -5.710 22.231 -16.861 23 HE3 LYS 28 HE1 LYS 28 -7.379 21.982 -16.350 24 HZ1 LYS 28 HZ1 LYS 28 -7.255 23.704 -18.016 25 HZ2 LYS 28 HZ2 LYS 28 -6.146 24.581 -17.089 26 HZ3 LYS 28 HZ3 LYS 28 -7.734 24.380 -16.540 27 H GLY 29 HN GLY 29 -6.222 22.024 -10.312 28 HA2 GLY 29 HA2 GLY 29 -4.073 22.384 -8.417 29 HA3 GLY 29 HA1 GLY 29 -5.709 23.008 -8.271 30 H ALA 30 HN ALA 30 -6.704 20.184 -8.812 31 HA ALA 30 HA ALA 30 -7.051 19.442 -6.101 32 HB1 ALA 30 HB1 ALA 30 -8.249 17.515 -6.970 33 HB2 ALA 30 HB2 ALA 30 -7.613 17.827 -8.584 34 HB3 ALA 30 HB3 ALA 30 -8.717 18.979 -7.834 35 H ILE 31 HN ILE 31 -5.107 18.035 -8.727 36 HA ILE 31 HA ILE 31 -4.128 15.836 -7.292 37 HB ILE 31 HB ILE 31 -3.937 16.004 -9.726 38 HG12 ILE 31 HG12 ILE 31 -1.197 15.824 -8.458 39 HG13 ILE 31 HG11 ILE 31 -2.402 14.544 -8.379 40 HG21 ILE 31 HG21 ILE 31 -2.201 17.419 -10.742 41 HG22 ILE 31 HG22 ILE 31 -1.876 18.131 -9.161 42 HG23 ILE 31 HG23 ILE 31 -3.445 18.367 -9.929 43 HD11 ILE 31 HD11 ILE 31 -0.753 14.109 -10.108 44 HD12 ILE 31 HD12 ILE 31 -1.152 15.639 -10.889 45 HD13 ILE 31 HD13 ILE 31 -2.353 14.350 -10.810 46 H ILE 32 HN ILE 32 -3.261 19.181 -7.175 47 HA ILE 32 HA ILE 32 -0.638 19.114 -6.300 48 HB ILE 32 HB ILE 32 -2.804 20.970 -5.303 49 HG12 ILE 32 HG12 ILE 32 -2.647 20.953 -7.758 50 HG13 ILE 32 HG11 ILE 32 -2.077 22.480 -7.093 51 HG21 ILE 32 HG21 ILE 32 0.197 21.258 -5.320 52 HG22 ILE 32 HG22 ILE 32 -0.839 21.083 -3.904 53 HG23 ILE 32 HG23 ILE 32 -0.940 22.536 -4.898 54 HD11 ILE 32 HD11 ILE 32 -0.655 21.743 -8.903 55 HD12 ILE 32 HD12 ILE 32 -0.357 20.215 -8.076 56 HD13 ILE 32 HD13 ILE 32 0.235 21.724 -7.381 57 H GLY 33 HN GLY 33 -3.612 18.563 -4.478 58 HA2 GLY 33 HA2 GLY 33 -2.207 18.328 -1.959 59 HA3 GLY 33 HA1 GLY 33 -3.921 18.056 -2.231 60 H LEU 34 HN LEU 34 -3.067 16.221 -4.537 61 HA LEU 34 HA LEU 34 -3.044 13.816 -2.945 62 HB2 LEU 34 HB2 LEU 34 -2.875 14.081 -5.946 63 HB3 LEU 34 HB1 LEU 34 -3.306 12.644 -5.040 64 HG LEU 34 HG LEU 34 -4.939 15.181 -5.169 65 HD11 LEU 34 HD11 LEU 34 -6.506 13.858 -6.486 66 HD12 LEU 34 HD12 LEU 34 -5.401 12.484 -6.432 67 HD13 LEU 34 HD13 LEU 34 -4.936 13.958 -7.281 68 HD21 LEU 34 HD21 LEU 34 -5.217 14.050 -3.041 69 HD22 LEU 34 HD22 LEU 34 -5.509 12.521 -3.868 70 HD23 LEU 34 HD23 LEU 34 -6.661 13.846 -4.031 71 H MET 35 HN MET 35 -0.664 15.861 -3.790 72 HA MET 35 HA MET 35 1.342 14.155 -4.827 73 HB2 MET 35 HB2 MET 35 1.457 16.608 -4.983 74 HB3 MET 35 HB1 MET 35 1.635 16.712 -3.238 75 HG2 MET 35 HG2 MET 35 3.747 15.488 -3.383 76 HG3 MET 35 HG1 MET 35 3.568 15.400 -5.133 77 HE1 MET 35 HE1 MET 35 3.682 17.490 -6.745 78 HE2 MET 35 HE2 MET 35 3.855 19.154 -6.184 79 HE3 MET 35 HE3 MET 35 2.377 18.257 -5.838 80 H VAL 36 HN VAL 36 0.786 15.382 -1.523 81 HA VAL 36 HA VAL 36 2.766 13.595 -0.425 82 HB VAL 36 HB VAL 36 2.085 14.501 1.763 83 HG11 VAL 36 HG11 VAL 36 2.525 16.594 -0.365 84 HG12 VAL 36 HG12 VAL 36 3.774 15.671 0.470 85 HG13 VAL 36 HG13 VAL 36 2.783 16.823 1.365 86 HG21 VAL 36 HG21 VAL 36 -0.292 14.796 1.344 87 HG22 VAL 36 HG22 VAL 36 0.055 16.063 0.165 88 HG23 VAL 36 HG23 VAL 36 0.431 16.317 1.870 89 H GLY 37 HN GLY 37 -0.645 13.567 -0.980 90 HA2 GLY 37 HA2 GLY 37 -1.174 11.449 0.926 91 HA3 GLY 37 HA1 GLY 37 -2.323 12.145 -0.207 92 H GLY 38 HN GLY 38 -0.015 11.636 -2.263 93 HA2 GLY 38 HA2 GLY 38 -1.045 9.027 -3.044 94 HA3 GLY 38 HA1 GLY 38 -0.052 10.094 -4.026 95 H VAL 39 HN VAL 39 1.788 10.339 -1.584 96 HA VAL 39 HA VAL 39 3.480 8.109 -2.329 97 HB VAL 39 HB VAL 39 5.193 9.157 -0.957 98 HG11 VAL 39 HG11 VAL 39 5.395 11.290 -2.152 99 HG12 VAL 39 HG12 VAL 39 3.712 11.156 -2.663 100 HG13 VAL 39 HG13 VAL 39 4.900 9.979 -3.225 101 HG21 VAL 39 HG21 VAL 39 3.811 9.933 0.883 102 HG22 VAL 39 HG22 VAL 39 3.044 11.122 -0.171 103 HG23 VAL 39 HG23 VAL 39 4.758 11.267 0.223 104 H VAL 40 HN VAL 40 1.511 9.103 0.379 105 HA VAL 40 HA VAL 40 2.571 7.254 2.267 106 HB VAL 40 HB VAL 40 -0.142 8.591 2.231 107 HG11 VAL 40 HG11 VAL 40 1.368 7.250 4.473 108 HG12 VAL 40 HG12 VAL 40 -0.114 6.671 3.712 109 HG13 VAL 40 HG13 VAL 40 -0.132 8.161 4.655 110 HG21 VAL 40 HG21 VAL 40 0.839 10.250 3.705 111 HG22 VAL 40 HG22 VAL 40 1.736 10.183 2.187 112 HG23 VAL 40 HG23 VAL 40 2.395 9.423 3.634 113 H ILE 41 HN ILE 41 -0.339 7.252 0.220 114 HA ILE 41 HA ILE 41 -1.212 4.672 1.020 115 HB ILE 41 HB ILE 41 -1.870 6.091 -1.564 116 HG12 ILE 41 HG12 ILE 41 -3.322 6.247 1.086 117 HG13 ILE 41 HG11 ILE 41 -2.263 7.505 0.460 118 HG21 ILE 41 HG21 ILE 41 -3.350 3.983 0.004 119 HG22 ILE 41 HG22 ILE 41 -2.521 3.752 -1.536 120 HG23 ILE 41 HG23 ILE 41 -3.947 4.786 -1.448 121 HD11 ILE 41 HD11 ILE 41 -3.752 7.781 -1.464 122 HD12 ILE 41 HD12 ILE 41 -4.581 8.061 0.067 123 HD13 ILE 41 HD13 ILE 41 -4.821 6.544 -0.801 124 H ALA 42 HN ALA 42 1.159 5.783 -1.216 125 HA ALA 42 HA ALA 42 1.209 3.400 -2.826 126 HB1 ALA 42 HB1 ALA 42 3.225 5.634 -2.618 127 HB2 ALA 42 HB2 ALA 42 1.883 5.557 -3.759 128 HB3 ALA 42 HB3 ALA 42 3.191 4.378 -3.857 129 H THR 43 HN THR 43 2.880 4.610 -0.000 130 HA THR 43 HA THR 43 4.994 2.717 -0.002 131 HB THR 43 HB THR 43 3.825 4.209 2.357 132 HG1 THR 43 HG1 THR 43 4.704 5.884 1.414 133 HG21 THR 43 HG21 THR 43 5.238 2.345 3.041 134 HG22 THR 43 HG22 THR 43 6.055 3.876 3.352 135 HG23 THR 43 HG23 THR 43 6.518 2.896 1.960 136 H VAL 44 HN VAL 44 1.797 2.793 1.515 137 HA VAL 44 HA VAL 44 2.135 0.355 2.948 138 HB VAL 44 HB VAL 44 0.462 2.061 3.590 139 HG11 VAL 44 HG11 VAL 44 -0.283 2.723 1.373 140 HG12 VAL 44 HG12 VAL 44 -1.651 2.211 2.360 141 HG13 VAL 44 HG13 VAL 44 -1.004 1.132 1.123 142 HG21 VAL 44 HG21 VAL 44 -0.664 -0.665 2.960 143 HG22 VAL 44 HG22 VAL 44 -1.371 0.492 4.086 144 HG23 VAL 44 HG23 VAL 44 0.216 -0.202 4.416 145 H THR 45 HN THR 45 1.388 1.130 -0.309 146 HA THR 45 HA THR 45 -0.144 -1.041 -1.126 147 HB THR 45 HB THR 45 2.045 0.297 -2.729 148 HG1 THR 45 HG1 THR 45 -0.461 1.114 -3.301 149 HG21 THR 45 HG21 THR 45 1.235 -1.783 -3.734 150 HG22 THR 45 HG22 THR 45 0.709 -0.382 -4.672 151 HG23 THR 45 HG23 THR 45 -0.428 -1.206 -3.601 152 H VAL 46 HN VAL 46 3.394 -0.726 -0.959 153 HA VAL 46 HA VAL 46 4.058 -3.250 -1.949 154 HB VAL 46 HB VAL 46 5.568 -1.722 0.177 155 HG11 VAL 46 HG11 VAL 46 6.340 -4.012 -0.108 156 HG12 VAL 46 HG12 VAL 46 7.531 -2.875 -0.736 157 HG13 VAL 46 HG13 VAL 46 6.488 -3.762 -1.847 158 HG21 VAL 46 HG21 VAL 46 6.820 -0.722 -1.688 159 HG22 VAL 46 HG22 VAL 46 5.115 -0.273 -1.718 160 HG23 VAL 46 HG23 VAL 46 5.724 -1.500 -2.827 161 H ILE 47 HN ILE 47 3.373 -2.184 1.358 162 HA ILE 47 HA ILE 47 3.907 -4.640 2.634 163 HB ILE 47 HB ILE 47 1.914 -2.556 3.532 164 HG12 ILE 47 HG12 ILE 47 4.057 -1.483 3.042 165 HG13 ILE 47 HG11 ILE 47 3.781 -1.537 4.779 166 HG21 ILE 47 HG21 ILE 47 3.513 -4.603 5.062 167 HG22 ILE 47 HG22 ILE 47 1.774 -4.632 4.769 168 HG23 ILE 47 HG23 ILE 47 2.477 -3.372 5.782 169 HD11 ILE 47 HD11 ILE 47 5.569 -3.387 3.216 170 HD12 ILE 47 HD12 ILE 47 5.291 -3.445 4.957 171 HD13 ILE 47 HD13 ILE 47 6.088 -2.046 4.239 172 H THR 48 HN THR 48 1.254 -3.527 0.743 173 HA THR 48 HA THR 48 -0.548 -5.610 1.684 174 HB THR 48 HB THR 48 -0.957 -3.606 -0.545 175 HG1 THR 48 HG1 THR 48 -2.197 -3.399 1.966 176 HG21 THR 48 HG21 THR 48 -3.341 -4.115 -0.235 177 HG22 THR 48 HG22 THR 48 -2.920 -5.334 0.966 178 HG23 THR 48 HG23 THR 48 -2.431 -5.547 -0.714 179 H LEU 49 HN LEU 49 1.710 -5.034 -0.857 180 HA LEU 49 HA LEU 49 0.655 -6.935 -2.715 181 HB2 LEU 49 HB2 LEU 49 3.337 -5.584 -2.482 182 HB3 LEU 49 HB1 LEU 49 2.944 -6.705 -3.771 183 HG LEU 49 HG LEU 49 1.410 -4.160 -3.245 184 HD11 LEU 49 HD11 LEU 49 2.604 -3.251 -5.183 185 HD12 LEU 49 HD12 LEU 49 3.607 -4.701 -5.238 186 HD13 LEU 49 HD13 LEU 49 3.697 -3.618 -3.849 187 HD21 LEU 49 HD21 LEU 49 0.541 -4.545 -5.501 188 HD22 LEU 49 HD22 LEU 49 0.146 -5.880 -4.418 189 HD23 LEU 49 HD23 LEU 49 1.451 -6.055 -5.593 190 H VAL 50 HN VAL 50 2.883 -7.057 -0.029 191 HA VAL 50 HA VAL 50 4.005 -9.600 -0.683 192 HB VAL 50 HB VAL 50 5.152 -7.974 0.789 193 HG11 VAL 50 HG11 VAL 50 4.461 -7.770 3.132 194 HG12 VAL 50 HG12 VAL 50 3.021 -8.727 2.785 195 HG13 VAL 50 HG13 VAL 50 3.234 -7.148 2.030 196 HG21 VAL 50 HG21 VAL 50 5.946 -9.604 2.444 197 HG22 VAL 50 HG22 VAL 50 5.813 -10.309 0.835 198 HG23 VAL 50 HG23 VAL 50 4.585 -10.652 2.054 199 H MET 51 HN MET 51 1.103 -8.544 0.838 200 HA MET 51 HA MET 51 0.583 -10.985 2.260 201 HB2 MET 51 HB2 MET 51 -1.188 -8.639 1.563 202 HB3 MET 51 HB1 MET 51 -1.708 -10.001 2.546 203 HG2 MET 51 HG2 MET 51 0.052 -9.480 4.174 204 HG3 MET 51 HG1 MET 51 0.523 -8.090 3.198 205 HE1 MET 51 HE1 MET 51 -1.214 -6.520 6.374 206 HE2 MET 51 HE2 MET 51 0.262 -6.574 5.409 207 HE3 MET 51 HE3 MET 51 -0.248 -7.995 6.321 208 H LEU 52 HN LEU 52 -0.316 -9.626 -0.862 209 HA LEU 52 HA LEU 52 -2.108 -11.822 -1.448 210 HB2 LEU 52 HB2 LEU 52 -2.261 -10.709 -3.701 211 HB3 LEU 52 HB1 LEU 52 -2.798 -9.750 -2.337 212 HG LEU 52 HG LEU 52 -0.377 -8.764 -2.419 213 HD11 LEU 52 HD11 LEU 52 -0.707 -9.848 -5.212 214 HD12 LEU 52 HD12 LEU 52 0.546 -10.283 -4.051 215 HD13 LEU 52 HD13 LEU 52 0.495 -8.654 -4.724 216 HD21 LEU 52 HD21 LEU 52 -1.152 -7.022 -3.928 217 HD22 LEU 52 HD22 LEU 52 -2.444 -7.518 -2.833 218 HD23 LEU 52 HD23 LEU 52 -2.441 -8.076 -4.507 219 H LYS 53 HN LYS 53 1.209 -11.137 -1.774 220 HA LYS 53 HA LYS 53 1.821 -12.648 -4.083 221 HB2 LYS 53 HB2 LYS 53 3.359 -10.997 -3.087 222 HB3 LYS 53 HB1 LYS 53 3.562 -12.038 -1.685 223 HG2 LYS 53 HG2 LYS 53 4.575 -13.751 -3.084 224 HG3 LYS 53 HG1 LYS 53 4.345 -12.735 -4.508 225 HD2 LYS 53 HD2 LYS 53 5.820 -11.046 -3.569 226 HD3 LYS 53 HD1 LYS 53 6.009 -12.007 -2.099 227 HE2 LYS 53 HE2 LYS 53 7.922 -12.249 -3.628 228 HE3 LYS 53 HE1 LYS 53 7.083 -13.777 -3.354 229 HZ1 LYS 53 HZ1 LYS 53 7.620 -13.494 -5.681 230 HZ2 LYS 53 HZ2 LYS 53 6.778 -12.028 -5.736 231 HZ3 LYS 53 HZ3 LYS 53 5.941 -13.473 -5.471 232 H LYS 54 HN LYS 54 0.814 -13.578 -0.987 233 HA LYS 54 HA LYS 54 2.163 -15.934 -0.470 234 HB2 LYS 54 HB2 LYS 54 -0.736 -15.258 0.040 235 HB3 LYS 54 HB1 LYS 54 0.095 -16.642 0.738 236 HG2 LYS 54 HG2 LYS 54 1.673 -15.112 1.840 237 HG3 LYS 54 HG1 LYS 54 0.777 -13.744 1.181 238 HD2 LYS 54 HD2 LYS 54 -1.218 -14.449 2.392 239 HD3 LYS 54 HD1 LYS 54 -0.353 -15.853 3.020 240 HE2 LYS 54 HE2 LYS 54 1.225 -14.346 4.156 241 HE3 LYS 54 HE1 LYS 54 0.317 -12.960 3.553 242 HZ1 LYS 54 HZ1 LYS 54 -0.737 -15.062 5.367 243 HZ2 LYS 54 HZ2 LYS 54 -1.609 -13.734 4.789 244 HZ3 LYS 54 HZ3 LYS 54 -0.295 -13.494 5.824 245 H LYS 55 HN LYS 55 0.104 -15.275 -3.100 246 HA LYS 55 HA LYS 55 -1.146 -17.685 -3.621 247 HB2 LYS 55 HB2 LYS 55 0.088 -15.731 -5.565 248 HB3 LYS 55 HB1 LYS 55 -0.976 -17.048 -6.035 249 HG2 LYS 55 HG2 LYS 55 -2.777 -16.078 -4.711 250 HG3 LYS 55 HG1 LYS 55 -1.708 -14.763 -4.216 251 HD2 LYS 55 HD2 LYS 55 -1.461 -14.108 -6.579 252 HD3 LYS 55 HD1 LYS 55 -2.585 -15.388 -7.034 253 HE2 LYS 55 HE2 LYS 55 -3.741 -13.262 -6.936 254 HE3 LYS 55 HE1 LYS 55 -4.323 -14.328 -5.657 255 HZ1 LYS 55 HZ1 LYS 55 -2.922 -13.160 -4.083 256 HZ2 LYS 55 HZ2 LYS 55 -3.961 -12.073 -4.857 257 HZ3 LYS 55 HZ3 LYS 55 -2.333 -12.151 -5.308
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