NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
653862 | 6yhp | 34509 | 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 16.765 23.419 16.677 2 H2 SER 26 HT2 SER 26 18.060 22.739 17.527 3 H3 SER 26 HT3 SER 26 16.482 22.582 18.119 4 HA SER 26 HA SER 26 17.527 21.403 15.612 5 HB2 SER 26 HB2 SER 26 18.381 20.273 17.611 6 HB3 SER 26 HB1 SER 26 16.742 20.114 18.240 7 HG SER 26 HG SER 26 17.594 19.018 15.767 8 H ASN 27 HN ASN 27 14.870 20.966 17.950 9 HA ASN 27 HA ASN 27 12.647 20.571 17.674 10 HB2 ASN 27 HB2 ASN 27 12.712 22.886 16.839 11 HB3 ASN 27 HB1 ASN 27 13.032 22.291 15.214 12 HD21 ASN 27 HD21 ASN 27 10.668 22.641 17.725 13 HD22 ASN 27 HD22 ASN 27 9.287 22.255 16.761 14 H LYS 28 HN LYS 28 12.903 18.331 17.307 15 HA LYS 28 HA LYS 28 13.291 17.262 14.686 16 HB2 LYS 28 HB2 LYS 28 12.274 15.939 17.208 17 HB3 LYS 28 HB1 LYS 28 12.748 15.094 15.740 18 HG2 LYS 28 HG2 LYS 28 15.030 15.870 15.999 19 HG3 LYS 28 HG1 LYS 28 14.570 16.796 17.430 20 HD2 LYS 28 HD2 LYS 28 13.939 14.721 18.566 21 HD3 LYS 28 HD1 LYS 28 14.397 13.797 17.134 22 HE2 LYS 28 HE2 LYS 28 16.699 14.572 17.364 23 HE3 LYS 28 HE1 LYS 28 16.246 15.520 18.780 24 HZ1 LYS 28 HZ1 LYS 28 16.073 12.563 18.556 25 HZ2 LYS 28 HZ2 LYS 28 15.651 13.474 19.916 26 HZ3 LYS 28 HZ3 LYS 28 17.261 13.418 19.404 27 H GLY 29 HN GLY 29 10.631 18.637 16.227 28 HA2 GLY 29 HA2 GLY 29 8.494 17.057 15.325 29 HA3 GLY 29 HA1 GLY 29 8.403 18.771 15.698 30 H ALA 30 HN ALA 30 10.476 19.375 13.639 31 HA ALA 30 HA ALA 30 8.708 19.867 11.475 32 HB1 ALA 30 HB1 ALA 30 10.662 20.783 10.337 33 HB2 ALA 30 HB2 ALA 30 11.716 20.074 11.559 34 HB3 ALA 30 HB3 ALA 30 10.582 21.348 12.006 35 H ILE 31 HN ILE 31 10.950 17.313 12.209 36 HA ILE 31 HA ILE 31 11.282 16.269 9.605 37 HB ILE 31 HB ILE 31 11.378 14.751 12.216 38 HG12 ILE 31 HG12 ILE 31 12.847 16.716 12.283 39 HG13 ILE 31 HG11 ILE 31 13.786 15.230 12.217 40 HG21 ILE 31 HG21 ILE 31 11.297 13.293 10.284 41 HG22 ILE 31 HG22 ILE 31 12.907 13.255 11.000 42 HG23 ILE 31 HG23 ILE 31 12.619 14.181 9.527 43 HD11 ILE 31 HD11 ILE 31 14.739 16.959 10.800 44 HD12 ILE 31 HD12 ILE 31 13.229 17.065 9.895 45 HD13 ILE 31 HD13 ILE 31 14.188 15.585 9.840 46 H ILE 32 HN ILE 32 8.882 15.705 12.125 47 HA ILE 32 HA ILE 32 7.609 13.472 11.004 48 HB ILE 32 HB ILE 32 6.578 15.652 12.817 49 HG12 ILE 32 HG12 ILE 32 6.559 13.680 14.439 50 HG13 ILE 32 HG11 ILE 32 7.484 12.802 13.224 51 HG21 ILE 32 HG21 ILE 32 5.139 13.183 11.863 52 HG22 ILE 32 HG22 ILE 32 4.651 14.864 11.642 53 HG23 ILE 32 HG23 ILE 32 4.640 14.148 13.252 54 HD11 ILE 32 HD11 ILE 32 8.891 13.778 14.974 55 HD12 ILE 32 HD12 ILE 32 8.333 15.385 14.511 56 HD13 ILE 32 HD13 ILE 32 9.272 14.416 13.375 57 H GLY 33 HN GLY 33 7.340 16.893 10.319 58 HA2 GLY 33 HA2 GLY 33 4.921 16.986 8.958 59 HA3 GLY 33 HA1 GLY 33 6.296 18.025 8.621 60 H LEU 34 HN LEU 34 8.081 15.933 7.793 61 HA LEU 34 HA LEU 34 7.143 15.642 5.078 62 HB2 LEU 34 HB2 LEU 34 9.718 14.701 6.342 63 HB3 LEU 34 HB1 LEU 34 9.374 14.756 4.623 64 HG LEU 34 HG LEU 34 9.534 17.173 6.427 65 HD11 LEU 34 HD11 LEU 34 11.639 17.636 5.263 66 HD12 LEU 34 HD12 LEU 34 11.505 16.093 4.416 67 HD13 LEU 34 HD13 LEU 34 11.711 16.122 6.168 68 HD21 LEU 34 HD21 LEU 34 8.037 17.516 4.546 69 HD22 LEU 34 HD22 LEU 34 9.272 16.927 3.432 70 HD23 LEU 34 HD23 LEU 34 9.528 18.432 4.321 71 H MET 35 HN MET 35 7.290 13.712 7.919 72 HA MET 35 HA MET 35 7.337 11.153 6.671 73 HB2 MET 35 HB2 MET 35 6.390 11.984 9.419 74 HB3 MET 35 HB1 MET 35 6.605 10.321 8.894 75 HG2 MET 35 HG2 MET 35 8.976 10.682 8.598 76 HG3 MET 35 HG1 MET 35 8.791 12.384 9.017 77 HE1 MET 35 HE1 MET 35 8.540 8.684 10.335 78 HE2 MET 35 HE2 MET 35 6.944 9.343 10.688 79 HE3 MET 35 HE3 MET 35 8.045 8.946 12.006 80 H VAL 36 HN VAL 36 4.858 13.478 7.310 81 HA VAL 36 HA VAL 36 2.622 11.740 7.264 82 HB VAL 36 HB VAL 36 2.718 14.658 6.485 83 HG11 VAL 36 HG11 VAL 36 0.677 13.572 5.753 84 HG12 VAL 36 HG12 VAL 36 0.338 14.648 7.108 85 HG13 VAL 36 HG13 VAL 36 0.426 12.905 7.365 86 HG21 VAL 36 HG21 VAL 36 2.213 13.381 9.173 87 HG22 VAL 36 HG22 VAL 36 2.052 15.099 8.806 88 HG23 VAL 36 HG23 VAL 36 3.632 14.325 8.714 89 H GLY 37 HN GLY 37 4.384 13.472 4.738 90 HA2 GLY 37 HA2 GLY 37 2.515 12.698 2.678 91 HA3 GLY 37 HA1 GLY 37 4.035 13.544 2.445 92 H GLY 38 HN GLY 38 5.633 11.553 3.846 93 HA2 GLY 38 HA2 GLY 38 6.084 9.803 1.621 94 HA3 GLY 38 HA1 GLY 38 6.979 9.821 3.130 95 H VAL 39 HN VAL 39 4.475 9.473 4.710 96 HA VAL 39 HA VAL 39 4.517 6.633 4.788 97 HB VAL 39 HB VAL 39 4.124 8.000 6.800 98 HG11 VAL 39 HG11 VAL 39 2.740 9.744 5.838 99 HG12 VAL 39 HG12 VAL 39 1.911 8.982 7.196 100 HG13 VAL 39 HG13 VAL 39 1.446 8.582 5.541 101 HG21 VAL 39 HG21 VAL 39 1.881 6.099 6.124 102 HG22 VAL 39 HG22 VAL 39 2.319 6.628 7.747 103 HG23 VAL 39 HG23 VAL 39 3.453 5.666 6.800 104 H VAL 40 HN VAL 40 2.354 8.995 3.357 105 HA VAL 40 HA VAL 40 0.123 7.386 2.887 106 HB VAL 40 HB VAL 40 1.185 9.620 1.147 107 HG11 VAL 40 HG11 VAL 40 -1.565 8.388 1.308 108 HG12 VAL 40 HG12 VAL 40 -0.444 8.288 -0.052 109 HG13 VAL 40 HG13 VAL 40 -1.151 9.841 0.396 110 HG21 VAL 40 HG21 VAL 40 -0.347 11.053 2.392 111 HG22 VAL 40 HG22 VAL 40 0.825 10.299 3.472 112 HG23 VAL 40 HG23 VAL 40 -0.826 9.685 3.396 113 H ILE 41 HN ILE 41 2.947 7.977 0.801 114 HA ILE 41 HA ILE 41 2.071 6.126 -1.205 115 HB ILE 41 HB ILE 41 4.712 7.521 -0.767 116 HG12 ILE 41 HG12 ILE 41 3.956 8.641 -2.949 117 HG13 ILE 41 HG11 ILE 41 2.371 7.952 -2.615 118 HG21 ILE 41 HG21 ILE 41 3.887 5.725 -3.042 119 HG22 ILE 41 HG22 ILE 41 5.183 5.437 -1.881 120 HG23 ILE 41 HG23 ILE 41 5.315 6.761 -3.039 121 HD11 ILE 41 HD11 ILE 41 2.588 10.289 -1.889 122 HD12 ILE 41 HD12 ILE 41 3.863 9.803 -0.773 123 HD13 ILE 41 HD13 ILE 41 2.223 9.193 -0.558 124 H ALA 42 HN ALA 42 4.144 5.997 1.607 125 HA ALA 42 HA ALA 42 5.418 3.532 0.996 126 HB1 ALA 42 HB1 ALA 42 4.996 4.840 3.680 127 HB2 ALA 42 HB2 ALA 42 6.353 5.134 2.591 128 HB3 ALA 42 HB3 ALA 42 6.135 3.544 3.323 129 H THR 43 HN THR 43 2.302 4.336 2.221 130 HA THR 43 HA THR 43 1.739 2.004 3.698 131 HB THR 43 HB THR 43 -0.185 3.777 2.177 132 HG1 THR 43 HG1 THR 43 0.468 3.802 4.950 133 HG21 THR 43 HG21 THR 43 -0.684 1.800 4.408 134 HG22 THR 43 HG22 THR 43 -1.190 1.620 2.729 135 HG23 THR 43 HG23 THR 43 -1.882 2.901 3.723 136 H MET 44 HN MET 44 1.690 2.681 0.270 137 HA MET 44 HA MET 44 0.206 0.316 -0.419 138 HB2 MET 44 HB2 MET 44 0.027 2.201 -1.889 139 HB3 MET 44 HB1 MET 44 1.772 2.297 -2.072 140 HG2 MET 44 HG2 MET 44 0.657 1.346 -4.038 141 HG3 MET 44 HG1 MET 44 1.811 0.235 -3.305 142 HE1 MET 44 HE1 MET 44 -0.263 -0.789 -5.404 143 HE2 MET 44 HE2 MET 44 -0.882 -2.245 -4.623 144 HE3 MET 44 HE3 MET 44 0.839 -1.865 -4.543 145 H ILE 45 HN ILE 45 3.580 1.198 -0.127 146 HA ILE 45 HA ILE 45 4.600 -1.093 -1.496 147 HB ILE 45 HB ILE 45 6.032 0.663 0.499 148 HG12 ILE 45 HG12 ILE 45 5.917 0.910 -2.516 149 HG13 ILE 45 HG11 ILE 45 5.024 1.933 -1.395 150 HG21 ILE 45 HG21 ILE 45 7.156 -1.458 0.046 151 HG22 ILE 45 HG22 ILE 45 8.059 -0.103 -0.631 152 HG23 ILE 45 HG23 ILE 45 7.087 -1.130 -1.685 153 HD11 ILE 45 HD11 ILE 45 7.124 2.756 -0.471 154 HD12 ILE 45 HD12 ILE 45 7.022 3.041 -2.210 155 HD13 ILE 45 HD13 ILE 45 8.020 1.726 -1.588 156 H VAL 46 HN VAL 46 4.039 -0.286 1.908 157 HA VAL 46 HA VAL 46 5.267 -2.594 2.980 158 HB VAL 46 HB VAL 46 4.030 -2.085 5.051 159 HG11 VAL 46 HG11 VAL 46 5.275 0.302 3.692 160 HG12 VAL 46 HG12 VAL 46 6.119 -0.940 4.614 161 HG13 VAL 46 HG13 VAL 46 4.995 0.150 5.426 162 HG21 VAL 46 HG21 VAL 46 1.924 -1.357 4.079 163 HG22 VAL 46 HG22 VAL 46 2.712 0.062 3.389 164 HG23 VAL 46 HG23 VAL 46 2.576 -0.108 5.139 165 H ILE 47 HN ILE 47 2.072 -2.006 1.692 166 HA ILE 47 HA ILE 47 0.937 -4.414 2.798 167 HB ILE 47 HB ILE 47 -0.106 -2.547 0.663 168 HG12 ILE 47 HG12 ILE 47 -0.953 -2.885 3.547 169 HG13 ILE 47 HG11 ILE 47 0.126 -1.617 2.975 170 HG21 ILE 47 HG21 ILE 47 -1.052 -4.755 0.352 171 HG22 ILE 47 HG22 ILE 47 -2.274 -3.670 1.014 172 HG23 ILE 47 HG23 ILE 47 -1.474 -4.842 2.061 173 HD11 ILE 47 HD11 ILE 47 -1.655 -0.744 1.555 174 HD12 ILE 47 HD12 ILE 47 -2.142 -0.796 3.250 175 HD13 ILE 47 HD13 ILE 47 -2.734 -2.017 2.126 176 H THR 48 HN THR 48 2.484 -3.456 -0.190 177 HA THR 48 HA THR 48 1.676 -5.532 -1.864 178 HB THR 48 HB THR 48 4.392 -4.197 -1.831 179 HG1 THR 48 HG1 THR 48 2.123 -3.497 -3.396 180 HG21 THR 48 HG21 THR 48 4.342 -6.211 -3.213 181 HG22 THR 48 HG22 THR 48 4.433 -4.769 -4.222 182 HG23 THR 48 HG23 THR 48 2.900 -5.621 -4.040 183 H LEU 49 HN LEU 49 4.079 -5.469 0.683 184 HA LEU 49 HA LEU 49 5.262 -7.986 -0.022 185 HB2 LEU 49 HB2 LEU 49 5.477 -6.139 2.329 186 HB3 LEU 49 HB1 LEU 49 6.165 -7.750 2.409 187 HG LEU 49 HG LEU 49 7.554 -7.214 0.418 188 HD11 LEU 49 HD11 LEU 49 7.775 -4.886 -0.281 189 HD12 LEU 49 HD12 LEU 49 6.465 -4.432 0.808 190 HD13 LEU 49 HD13 LEU 49 6.143 -5.489 -0.567 191 HD21 LEU 49 HD21 LEU 49 7.855 -5.327 2.747 192 HD22 LEU 49 HD22 LEU 49 9.119 -5.761 1.597 193 HD23 LEU 49 HD23 LEU 49 8.450 -6.987 2.676 194 H VAL 50 HN VAL 50 2.778 -6.903 2.230 195 HA VAL 50 HA VAL 50 2.502 -9.307 3.675 196 HB VAL 50 HB VAL 50 0.358 -7.252 3.110 197 HG11 VAL 50 HG11 VAL 50 -0.550 -9.324 3.983 198 HG12 VAL 50 HG12 VAL 50 -0.626 -8.064 5.216 199 HG13 VAL 50 HG13 VAL 50 0.621 -9.309 5.302 200 HG21 VAL 50 HG21 VAL 50 2.348 -7.396 5.374 201 HG22 VAL 50 HG22 VAL 50 1.024 -6.238 5.236 202 HG23 VAL 50 HG23 VAL 50 2.344 -6.213 4.068 203 H MET 51 HN MET 51 1.010 -8.149 0.694 204 HA MET 51 HA MET 51 -0.900 -10.198 0.414 205 HB2 MET 51 HB2 MET 51 0.472 -8.485 -1.661 206 HB3 MET 51 HB1 MET 51 -0.887 -9.544 -2.005 207 HG2 MET 51 HG2 MET 51 -2.297 -8.274 -0.501 208 HG3 MET 51 HG1 MET 51 -0.933 -7.244 -0.064 209 HE1 MET 51 HE1 MET 51 -1.801 -8.641 -3.655 210 HE2 MET 51 HE2 MET 51 -2.829 -7.349 -4.274 211 HE3 MET 51 HE3 MET 51 -3.379 -8.343 -2.926 212 H LEU 52 HN LEU 52 2.506 -10.064 -0.260 213 HA LEU 52 HA LEU 52 2.574 -12.367 -1.963 214 HB2 LEU 52 HB2 LEU 52 4.774 -10.975 -0.434 215 HB3 LEU 52 HB1 LEU 52 5.025 -12.236 -1.626 216 HG LEU 52 HG LEU 52 3.745 -9.572 -2.230 217 HD11 LEU 52 HD11 LEU 52 6.066 -9.264 -1.571 218 HD12 LEU 52 HD12 LEU 52 5.867 -9.001 -3.304 219 HD13 LEU 52 HD13 LEU 52 6.568 -10.509 -2.715 220 HD21 LEU 52 HD21 LEU 52 4.771 -11.759 -4.034 221 HD22 LEU 52 HD22 LEU 52 4.121 -10.205 -4.558 222 HD23 LEU 52 HD23 LEU 52 3.077 -11.367 -3.741 223 H LYS 53 HN LYS 53 2.856 -11.770 1.471 224 HA LYS 53 HA LYS 53 3.873 -14.362 2.126 225 HB2 LYS 53 HB2 LYS 53 4.279 -12.456 3.591 226 HB3 LYS 53 HB1 LYS 53 2.552 -12.258 3.848 227 HG2 LYS 53 HG2 LYS 53 2.427 -14.335 5.037 228 HG3 LYS 53 HG1 LYS 53 4.106 -14.709 4.646 229 HD2 LYS 53 HD2 LYS 53 3.966 -13.906 6.922 230 HD3 LYS 53 HD1 LYS 53 4.810 -12.717 5.931 231 HE2 LYS 53 HE2 LYS 53 2.732 -11.421 5.739 232 HE3 LYS 53 HE1 LYS 53 1.912 -12.602 6.759 233 HZ1 LYS 53 HZ1 LYS 53 4.215 -10.910 7.572 234 HZ2 LYS 53 HZ2 LYS 53 3.443 -12.053 8.552 235 HZ3 LYS 53 HZ3 LYS 53 2.602 -10.679 8.036 236 H LYS 54 HN LYS 54 0.713 -12.970 1.693 237 HA LYS 54 HA LYS 54 -0.798 -14.902 3.083 238 HB2 LYS 54 HB2 LYS 54 -1.518 -13.122 0.752 239 HB3 LYS 54 HB1 LYS 54 -2.683 -14.116 1.618 240 HG2 LYS 54 HG2 LYS 54 -1.000 -11.968 2.890 241 HG3 LYS 54 HG1 LYS 54 -2.656 -11.742 2.325 242 HD2 LYS 54 HD2 LYS 54 -3.382 -13.543 3.864 243 HD3 LYS 54 HD1 LYS 54 -1.730 -13.647 4.474 244 HE2 LYS 54 HE2 LYS 54 -3.105 -12.294 5.954 245 HE3 LYS 54 HE1 LYS 54 -1.854 -11.309 5.196 246 HZ1 LYS 54 HZ1 LYS 54 -3.995 -10.187 5.199 247 HZ2 LYS 54 HZ2 LYS 54 -4.692 -11.458 4.329 248 HZ3 LYS 54 HZ3 LYS 54 -3.491 -10.505 3.614 249 H LYS 55 HN LYS 55 0.892 -15.027 0.111 250 HA LYS 55 HA LYS 55 -0.677 -17.208 -0.977 251 HB2 LYS 55 HB2 LYS 55 0.308 -15.557 -2.496 252 HB3 LYS 55 HB1 LYS 55 1.917 -15.975 -1.924 253 HG2 LYS 55 HG2 LYS 55 1.651 -18.234 -2.815 254 HG3 LYS 55 HG1 LYS 55 0.035 -17.817 -3.386 255 HD2 LYS 55 HD2 LYS 55 0.997 -16.089 -4.834 256 HD3 LYS 55 HD1 LYS 55 2.613 -16.516 -4.264 257 HE2 LYS 55 HE2 LYS 55 2.112 -17.529 -6.440 258 HE3 LYS 55 HE1 LYS 55 2.375 -18.747 -5.190 259 HZ1 LYS 55 HZ1 LYS 55 -0.027 -18.984 -4.977 260 HZ2 LYS 55 HZ2 LYS 55 0.476 -19.306 -6.559 261 HZ3 LYS 55 HZ3 LYS 55 -0.268 -17.832 -6.194 Start of MODEL 2 1 H1 SER 26 HT1 SER 26 -4.296 31.209 5.594 2 H2 SER 26 HT2 SER 26 -3.174 29.944 5.527 3 H3 SER 26 HT3 SER 26 -4.437 30.014 4.402 4 HA SER 26 HA SER 26 -3.553 32.013 3.445 5 HB2 SER 26 HB2 SER 26 -1.347 31.661 5.490 6 HB3 SER 26 HB1 SER 26 -1.347 32.852 4.190 7 HG SER 26 HG SER 26 -3.600 33.244 5.356 8 H ASN 27 HN ASN 27 -1.231 29.610 4.695 9 HA ASN 27 HA ASN 27 -1.055 28.287 2.164 10 HB2 ASN 27 HB2 ASN 27 1.316 28.763 1.729 11 HB3 ASN 27 HB1 ASN 27 0.349 30.234 1.671 12 HD21 ASN 27 HD21 ASN 27 3.208 29.855 2.156 13 HD22 ASN 27 HD22 ASN 27 3.532 30.600 3.681 14 H LYS 28 HN LYS 28 -1.432 27.858 5.120 15 HA LYS 28 HA LYS 28 0.830 26.203 5.859 16 HB2 LYS 28 HB2 LYS 28 -0.294 27.543 7.572 17 HB3 LYS 28 HB1 LYS 28 -1.804 26.697 7.260 18 HG2 LYS 28 HG2 LYS 28 -0.799 25.823 9.255 19 HG3 LYS 28 HG1 LYS 28 -0.735 24.594 7.992 20 HD2 LYS 28 HD2 LYS 28 1.599 25.177 7.541 21 HD3 LYS 28 HD1 LYS 28 1.534 26.414 8.799 22 HE2 LYS 28 HE2 LYS 28 1.068 24.682 10.469 23 HE3 LYS 28 HE1 LYS 28 1.149 23.450 9.210 24 HZ1 LYS 28 HZ1 LYS 28 3.454 24.015 8.833 25 HZ2 LYS 28 HZ2 LYS 28 3.220 23.628 10.462 26 HZ3 LYS 28 HZ3 LYS 28 3.383 25.244 9.992 27 H GLY 29 HN GLY 29 -2.479 25.808 4.744 28 HA2 GLY 29 HA2 GLY 29 -2.629 23.001 5.199 29 HA3 GLY 29 HA1 GLY 29 -3.686 23.937 4.156 30 H ALA 30 HN ALA 30 -0.799 24.743 3.010 31 HA ALA 30 HA ALA 30 -0.990 22.920 0.789 32 HB1 ALA 30 HB1 ALA 30 1.025 25.098 1.335 33 HB2 ALA 30 HB2 ALA 30 -0.479 25.287 0.433 34 HB3 ALA 30 HB3 ALA 30 0.800 24.248 -0.194 35 H ILE 31 HN ILE 31 1.296 23.540 3.414 36 HA ILE 31 HA ILE 31 3.240 21.652 2.568 37 HB ILE 31 HB ILE 31 2.754 22.687 5.365 38 HG12 ILE 31 HG12 ILE 31 4.602 23.758 3.221 39 HG13 ILE 31 HG11 ILE 31 3.070 24.490 3.678 40 HG21 ILE 31 HG21 ILE 31 4.178 20.720 5.315 41 HG22 ILE 31 HG22 ILE 31 5.124 22.151 5.715 42 HG23 ILE 31 HG23 ILE 31 5.202 21.470 4.091 43 HD11 ILE 31 HD11 ILE 31 4.921 25.659 4.703 44 HD12 ILE 31 HD12 ILE 31 5.478 24.163 5.452 45 HD13 ILE 31 HD13 ILE 31 3.937 24.870 5.934 46 H ILE 32 HN ILE 32 0.446 21.487 4.708 47 HA ILE 32 HA ILE 32 0.939 18.945 5.806 48 HB ILE 32 HB ILE 32 -1.716 20.300 5.311 49 HG12 ILE 32 HG12 ILE 32 -0.208 21.647 6.697 50 HG13 ILE 32 HG11 ILE 32 -1.543 21.018 7.653 51 HG21 ILE 32 HG21 ILE 32 -2.563 18.836 7.094 52 HG22 ILE 32 HG22 ILE 32 -1.006 18.007 7.135 53 HG23 ILE 32 HG23 ILE 32 -2.011 17.925 5.689 54 HD11 ILE 32 HD11 ILE 32 -0.087 19.290 8.561 55 HD12 ILE 32 HD12 ILE 32 0.563 20.901 8.863 56 HD13 ILE 32 HD13 ILE 32 1.250 19.898 7.586 57 H GLY 33 HN GLY 33 -0.583 19.964 2.803 58 HA2 GLY 33 HA2 GLY 33 -1.770 17.516 2.092 59 HA3 GLY 33 HA1 GLY 33 -1.290 18.780 0.969 60 H LEU 34 HN LEU 34 1.529 18.501 2.106 61 HA LEU 34 HA LEU 34 2.404 16.538 0.180 62 HB2 LEU 34 HB2 LEU 34 3.976 18.244 2.115 63 HB3 LEU 34 HB1 LEU 34 4.674 17.244 0.855 64 HG LEU 34 HG LEU 34 2.829 19.582 0.355 65 HD11 LEU 34 HD11 LEU 34 5.827 19.376 0.117 66 HD12 LEU 34 HD12 LEU 34 4.936 20.338 1.296 67 HD13 LEU 34 HD13 LEU 34 4.846 20.740 -0.418 68 HD21 LEU 34 HD21 LEU 34 2.748 17.875 -1.389 69 HD22 LEU 34 HD22 LEU 34 4.506 17.921 -1.525 70 HD23 LEU 34 HD23 LEU 34 3.549 19.335 -1.968 71 H MET 35 HN MET 35 2.056 16.782 3.640 72 HA MET 35 HA MET 35 3.670 14.522 4.294 73 HB2 MET 35 HB2 MET 35 1.474 15.888 5.864 74 HB3 MET 35 HB1 MET 35 2.582 14.688 6.513 75 HG2 MET 35 HG2 MET 35 3.426 17.332 5.352 76 HG3 MET 35 HG1 MET 35 3.175 17.026 7.071 77 HE1 MET 35 HE1 MET 35 5.965 14.416 7.868 78 HE2 MET 35 HE2 MET 35 4.278 14.113 7.456 79 HE3 MET 35 HE3 MET 35 4.697 15.440 8.539 80 H VAL 36 HN VAL 36 0.385 14.985 3.288 81 HA VAL 36 HA VAL 36 -0.478 12.348 4.105 82 HB VAL 36 HB VAL 36 -1.901 14.356 2.355 83 HG11 VAL 36 HG11 VAL 36 -3.920 13.100 2.966 84 HG12 VAL 36 HG12 VAL 36 -2.921 11.936 3.836 85 HG13 VAL 36 HG13 VAL 36 -2.762 12.102 2.087 86 HG21 VAL 36 HG21 VAL 36 -2.122 13.881 5.325 87 HG22 VAL 36 HG22 VAL 36 -3.147 14.961 4.379 88 HG23 VAL 36 HG23 VAL 36 -1.424 15.301 4.546 89 H GLY 37 HN GLY 37 0.509 13.989 1.149 90 HA2 GLY 37 HA2 GLY 37 -0.176 11.794 -0.572 91 HA3 GLY 37 HA1 GLY 37 0.765 13.211 -1.013 92 H GLY 38 HN GLY 38 2.423 12.416 1.526 93 HA2 GLY 38 HA2 GLY 38 4.280 10.743 -0.003 94 HA3 GLY 38 HA1 GLY 38 4.669 11.670 1.438 95 H VAL 39 HN VAL 39 2.255 10.627 2.834 96 HA VAL 39 HA VAL 39 3.497 8.241 3.879 97 HB VAL 39 HB VAL 39 2.465 9.864 5.404 98 HG11 VAL 39 HG11 VAL 39 -0.133 9.043 4.111 99 HG12 VAL 39 HG12 VAL 39 0.638 10.624 3.991 100 HG13 VAL 39 HG13 VAL 39 0.025 10.058 5.544 101 HG21 VAL 39 HG21 VAL 39 1.182 8.267 6.768 102 HG22 VAL 39 HG22 VAL 39 2.663 7.555 6.127 103 HG23 VAL 39 HG23 VAL 39 1.107 7.169 5.388 104 H VAL 40 HN VAL 40 0.809 9.049 1.814 105 HA VAL 40 HA VAL 40 -0.579 6.604 1.953 106 HB VAL 40 HB VAL 40 -1.450 8.757 0.998 107 HG11 VAL 40 HG11 VAL 40 0.094 7.833 -1.401 108 HG12 VAL 40 HG12 VAL 40 0.475 9.235 -0.409 109 HG13 VAL 40 HG13 VAL 40 -1.019 9.198 -1.347 110 HG21 VAL 40 HG21 VAL 40 -2.841 7.634 -0.694 111 HG22 VAL 40 HG22 VAL 40 -2.687 6.676 0.779 112 HG23 VAL 40 HG23 VAL 40 -1.750 6.249 -0.652 113 H ILE 41 HN ILE 41 2.198 7.647 0.164 114 HA ILE 41 HA ILE 41 2.210 5.491 -1.709 115 HB ILE 41 HB ILE 41 4.428 7.359 -0.892 116 HG12 ILE 41 HG12 ILE 41 2.370 7.382 -3.100 117 HG13 ILE 41 HG11 ILE 41 2.646 8.606 -1.864 118 HG21 ILE 41 HG21 ILE 41 5.556 6.637 -2.931 119 HG22 ILE 41 HG22 ILE 41 4.251 5.500 -3.265 120 HG23 ILE 41 HG23 ILE 41 5.283 5.267 -1.853 121 HD11 ILE 41 HD11 ILE 41 4.442 7.944 -4.174 122 HD12 ILE 41 HD12 ILE 41 4.822 9.103 -2.904 123 HD13 ILE 41 HD13 ILE 41 3.451 9.388 -3.978 124 H ALA 42 HN ALA 42 3.990 6.171 1.292 125 HA ALA 42 HA ALA 42 5.586 3.850 1.258 126 HB1 ALA 42 HB1 ALA 42 6.022 4.325 3.606 127 HB2 ALA 42 HB2 ALA 42 4.676 5.462 3.638 128 HB3 ALA 42 HB3 ALA 42 6.092 5.803 2.645 129 H THR 43 HN THR 43 2.297 4.408 2.230 130 HA THR 43 HA THR 43 2.051 1.985 3.761 131 HB THR 43 HB THR 43 -0.140 3.752 2.650 132 HG1 THR 43 HG1 THR 43 0.469 5.088 4.163 133 HG21 THR 43 HG21 THR 43 -1.510 2.763 4.434 134 HG22 THR 43 HG22 THR 43 -0.164 1.718 4.888 135 HG23 THR 43 HG23 THR 43 -0.931 1.534 3.312 136 H MET 44 HN MET 44 1.727 2.898 0.442 137 HA MET 44 HA MET 44 0.122 0.630 -0.314 138 HB2 MET 44 HB2 MET 44 0.001 2.757 -1.548 139 HB3 MET 44 HB1 MET 44 1.684 2.576 -2.023 140 HG2 MET 44 HG2 MET 44 0.254 1.945 -3.845 141 HG3 MET 44 HG1 MET 44 1.097 0.523 -3.239 142 HE1 MET 44 HE1 MET 44 -0.599 -1.005 -4.578 143 HE2 MET 44 HE2 MET 44 -1.498 0.398 -5.153 144 HE3 MET 44 HE3 MET 44 -2.351 -0.942 -4.386 145 H ILE 45 HN ILE 45 3.471 1.270 0.139 146 HA ILE 45 HA ILE 45 4.372 -0.886 -1.569 147 HB ILE 45 HB ILE 45 5.930 0.785 0.407 148 HG12 ILE 45 HG12 ILE 45 5.764 1.016 -2.606 149 HG13 ILE 45 HG11 ILE 45 4.902 2.059 -1.480 150 HG21 ILE 45 HG21 ILE 45 6.876 -1.072 -1.775 151 HG22 ILE 45 HG22 ILE 45 7.015 -1.343 -0.037 152 HG23 ILE 45 HG23 ILE 45 7.909 -0.028 -0.799 153 HD11 ILE 45 HD11 ILE 45 7.007 2.883 -0.603 154 HD12 ILE 45 HD12 ILE 45 6.921 3.115 -2.350 155 HD13 ILE 45 HD13 ILE 45 7.892 1.805 -1.680 156 H VAL 46 HN VAL 46 3.932 -0.291 1.884 157 HA VAL 46 HA VAL 46 5.205 -2.657 2.785 158 HB VAL 46 HB VAL 46 4.036 -2.265 4.917 159 HG11 VAL 46 HG11 VAL 46 6.104 -1.072 4.455 160 HG12 VAL 46 HG12 VAL 46 5.006 -0.064 5.397 161 HG13 VAL 46 HG13 VAL 46 5.199 0.222 3.667 162 HG21 VAL 46 HG21 VAL 46 2.648 -0.044 3.419 163 HG22 VAL 46 HG22 VAL 46 2.572 -0.308 5.162 164 HG23 VAL 46 HG23 VAL 46 1.895 -1.505 4.058 165 H ILE 47 HN ILE 47 2.054 -2.024 1.494 166 HA ILE 47 HA ILE 47 0.795 -4.359 2.574 167 HB ILE 47 HB ILE 47 -0.028 -2.540 0.310 168 HG12 ILE 47 HG12 ILE 47 -1.108 -2.774 3.126 169 HG13 ILE 47 HG11 ILE 47 0.070 -1.567 2.620 170 HG21 ILE 47 HG21 ILE 47 -1.020 -4.734 -0.006 171 HG22 ILE 47 HG22 ILE 47 -2.247 -3.578 0.510 172 HG23 ILE 47 HG23 ILE 47 -1.589 -4.737 1.664 173 HD11 ILE 47 HD11 ILE 47 -2.160 -0.629 2.688 174 HD12 ILE 47 HD12 ILE 47 -2.732 -1.862 1.563 175 HD13 ILE 47 HD13 ILE 47 -1.554 -0.661 1.032 176 H THR 48 HN THR 48 2.567 -3.611 -0.358 177 HA THR 48 HA THR 48 1.759 -5.833 -1.890 178 HB THR 48 HB THR 48 3.731 -5.448 -3.259 179 HG1 THR 48 HG1 THR 48 5.474 -4.699 -2.339 180 HG21 THR 48 HG21 THR 48 2.514 -2.857 -2.297 181 HG22 THR 48 HG22 THR 48 1.845 -3.916 -3.537 182 HG23 THR 48 HG23 THR 48 3.378 -3.086 -3.817 183 H LEU 49 HN LEU 49 3.906 -5.552 0.793 184 HA LEU 49 HA LEU 49 5.393 -7.949 0.254 185 HB2 LEU 49 HB2 LEU 49 5.195 -6.058 2.565 186 HB3 LEU 49 HB1 LEU 49 5.973 -7.614 2.782 187 HG LEU 49 HG LEU 49 7.605 -5.852 2.334 188 HD11 LEU 49 HD11 LEU 49 8.108 -8.121 1.616 189 HD12 LEU 49 HD12 LEU 49 8.804 -6.941 0.506 190 HD13 LEU 49 HD13 LEU 49 7.338 -7.813 0.061 191 HD21 LEU 49 HD21 LEU 49 7.703 -4.756 0.156 192 HD22 LEU 49 HD22 LEU 49 6.198 -4.375 0.993 193 HD23 LEU 49 HD23 LEU 49 6.203 -5.553 -0.319 194 H VAL 50 HN VAL 50 2.815 -7.085 2.562 195 HA VAL 50 HA VAL 50 2.599 -9.627 3.737 196 HB VAL 50 HB VAL 50 1.644 -7.576 4.731 197 HG11 VAL 50 HG11 VAL 50 0.713 -6.526 2.785 198 HG12 VAL 50 HG12 VAL 50 -0.583 -6.823 3.942 199 HG13 VAL 50 HG13 VAL 50 -0.396 -7.872 2.537 200 HG21 VAL 50 HG21 VAL 50 0.923 -9.752 5.534 201 HG22 VAL 50 HG22 VAL 50 -0.324 -9.821 4.289 202 HG23 VAL 50 HG23 VAL 50 -0.421 -8.612 5.570 203 H MET 51 HN MET 51 1.388 -8.375 0.739 204 HA MET 51 HA MET 51 -0.712 -10.217 0.323 205 HB2 MET 51 HB2 MET 51 0.972 -8.589 -1.574 206 HB3 MET 51 HB1 MET 51 -0.319 -9.645 -2.133 207 HG2 MET 51 HG2 MET 51 -0.645 -7.338 -0.228 208 HG3 MET 51 HG1 MET 51 -1.043 -7.321 -1.944 209 HE1 MET 51 HE1 MET 51 -3.488 -6.451 -1.330 210 HE2 MET 51 HE2 MET 51 -3.087 -6.498 0.387 211 HE3 MET 51 HE3 MET 51 -4.560 -7.272 -0.197 212 H LEU 52 HN LEU 52 2.731 -10.298 -0.483 213 HA LEU 52 HA LEU 52 2.527 -12.853 -1.803 214 HB2 LEU 52 HB2 LEU 52 4.770 -11.002 -1.096 215 HB3 LEU 52 HB1 LEU 52 5.128 -12.657 -1.552 216 HG LEU 52 HG LEU 52 3.933 -12.274 -3.705 217 HD11 LEU 52 HD11 LEU 52 3.914 -9.394 -2.825 218 HD12 LEU 52 HD12 LEU 52 2.495 -10.433 -2.948 219 HD13 LEU 52 HD13 LEU 52 3.410 -10.015 -4.397 220 HD21 LEU 52 HD21 LEU 52 5.711 -10.940 -4.714 221 HD22 LEU 52 HD22 LEU 52 6.361 -12.096 -3.551 222 HD23 LEU 52 HD23 LEU 52 6.215 -10.393 -3.115 223 H LYS 53 HN LYS 53 3.223 -11.679 1.393 224 HA LYS 53 HA LYS 53 4.441 -14.067 2.371 225 HB2 LYS 53 HB2 LYS 53 4.799 -11.879 3.435 226 HB3 LYS 53 HB1 LYS 53 3.098 -11.814 3.876 227 HG2 LYS 53 HG2 LYS 53 3.395 -13.795 5.285 228 HG3 LYS 53 HG1 LYS 53 5.106 -13.834 4.857 229 HD2 LYS 53 HD2 LYS 53 5.411 -11.625 5.856 230 HD3 LYS 53 HD1 LYS 53 3.695 -11.567 6.266 231 HE2 LYS 53 HE2 LYS 53 3.967 -13.509 7.716 232 HE3 LYS 53 HE1 LYS 53 5.676 -13.602 7.287 233 HZ1 LYS 53 HZ1 LYS 53 4.361 -11.344 8.701 234 HZ2 LYS 53 HZ2 LYS 53 5.996 -11.415 8.277 235 HZ3 LYS 53 HZ3 LYS 53 5.369 -12.504 9.408 236 H LYS 54 HN LYS 54 1.186 -12.993 1.913 237 HA LYS 54 HA LYS 54 -0.093 -14.705 3.772 238 HB2 LYS 54 HB2 LYS 54 -1.142 -12.706 2.702 239 HB3 LYS 54 HB1 LYS 54 -1.217 -13.600 1.191 240 HG2 LYS 54 HG2 LYS 54 -2.683 -15.248 2.223 241 HG3 LYS 54 HG1 LYS 54 -2.594 -14.377 3.755 242 HD2 LYS 54 HD2 LYS 54 -3.564 -12.392 2.623 243 HD3 LYS 54 HD1 LYS 54 -3.755 -13.361 1.161 244 HE2 LYS 54 HE2 LYS 54 -5.207 -14.908 2.386 245 HE3 LYS 54 HE1 LYS 54 -5.024 -13.926 3.838 246 HZ1 LYS 54 HZ1 LYS 54 -7.087 -13.420 2.709 247 HZ2 LYS 54 HZ2 LYS 54 -6.257 -13.042 1.284 248 HZ3 LYS 54 HZ3 LYS 54 -6.058 -12.076 2.660 249 H LYS 55 HN LYS 55 1.032 -15.108 0.486 250 HA LYS 55 HA LYS 55 -0.340 -17.529 -0.067 251 HB2 LYS 55 HB2 LYS 55 2.197 -16.402 -1.265 252 HB3 LYS 55 HB1 LYS 55 1.291 -17.759 -1.921 253 HG2 LYS 55 HG2 LYS 55 -0.645 -16.293 -2.258 254 HG3 LYS 55 HG1 LYS 55 0.291 -14.934 -1.632 255 HD2 LYS 55 HD2 LYS 55 1.901 -15.198 -3.454 256 HD3 LYS 55 HD1 LYS 55 0.980 -16.571 -4.074 257 HE2 LYS 55 HE2 LYS 55 -0.952 -15.104 -4.429 258 HE3 LYS 55 HE1 LYS 55 -0.020 -13.735 -3.824 259 HZ1 LYS 55 HZ1 LYS 55 -0.032 -13.772 -6.229 260 HZ2 LYS 55 HZ2 LYS 55 0.614 -15.335 -6.245 261 HZ3 LYS 55 HZ3 LYS 55 1.537 -14.046 -5.657 Start of MODEL 3 1 H1 SER 26 HT1 SER 26 11.804 30.884 5.845 2 H2 SER 26 HT2 SER 26 10.391 31.451 6.583 3 H3 SER 26 HT3 SER 26 10.328 30.104 5.564 4 HA SER 26 HA SER 26 11.691 28.840 7.090 5 HB2 SER 26 HB2 SER 26 12.142 29.778 9.340 6 HB3 SER 26 HB1 SER 26 12.949 30.693 8.065 7 HG SER 26 HG SER 26 11.993 32.322 9.002 8 H ASN 27 HN ASN 27 9.967 27.493 7.101 9 HA ASN 27 HA ASN 27 7.889 28.060 9.096 10 HB2 ASN 27 HB2 ASN 27 6.922 28.536 6.899 11 HB3 ASN 27 HB1 ASN 27 7.398 26.941 6.327 12 HD21 ASN 27 HD21 ASN 27 5.307 26.328 5.861 13 HD22 ASN 27 HD22 ASN 27 4.143 25.978 7.090 14 H LYS 28 HN LYS 28 7.983 26.543 10.598 15 HA LYS 28 HA LYS 28 9.356 24.087 10.267 16 HB2 LYS 28 HB2 LYS 28 7.442 24.964 12.438 17 HB3 LYS 28 HB1 LYS 28 8.490 23.554 12.521 18 HG2 LYS 28 HG2 LYS 28 10.453 24.973 12.433 19 HG3 LYS 28 HG1 LYS 28 9.434 26.402 12.261 20 HD2 LYS 28 HD2 LYS 28 10.144 26.234 14.552 21 HD3 LYS 28 HD1 LYS 28 8.419 25.879 14.467 22 HE2 LYS 28 HE2 LYS 28 8.913 23.479 14.536 23 HE3 LYS 28 HE1 LYS 28 10.637 23.839 14.622 24 HZ1 LYS 28 HZ1 LYS 28 10.263 24.960 16.728 25 HZ2 LYS 28 HZ2 LYS 28 9.718 23.363 16.805 26 HZ3 LYS 28 HZ3 LYS 28 8.607 24.627 16.643 27 H GLY 29 HN GLY 29 6.056 25.064 9.832 28 HA2 GLY 29 HA2 GLY 29 4.895 22.459 9.981 29 HA3 GLY 29 HA1 GLY 29 4.143 23.894 9.299 30 H ALA 30 HN ALA 30 6.540 24.217 7.486 31 HA ALA 30 HA ALA 30 5.473 22.706 5.297 32 HB1 ALA 30 HB1 ALA 30 7.945 24.432 5.425 33 HB2 ALA 30 HB2 ALA 30 6.328 24.978 4.983 34 HB3 ALA 30 HB3 ALA 30 7.181 23.821 3.958 35 H ILE 31 HN ILE 31 8.062 22.308 7.557 36 HA ILE 31 HA ILE 31 9.509 20.376 5.988 37 HB ILE 31 HB ILE 31 9.742 20.996 8.936 38 HG12 ILE 31 HG12 ILE 31 11.395 22.031 6.621 39 HG13 ILE 31 HG11 ILE 31 10.140 22.954 7.441 40 HG21 ILE 31 HG21 ILE 31 11.950 19.962 8.758 41 HG22 ILE 31 HG22 ILE 31 11.643 19.587 7.063 42 HG23 ILE 31 HG23 ILE 31 10.677 18.825 8.325 43 HD11 ILE 31 HD11 ILE 31 12.688 21.927 8.669 44 HD12 ILE 31 HD12 ILE 31 11.420 22.798 9.529 45 HD13 ILE 31 HD13 ILE 31 12.322 23.598 8.242 46 H ILE 32 HN ILE 32 7.669 20.195 9.040 47 HA ILE 32 HA ILE 32 7.643 17.381 9.173 48 HB ILE 32 HB ILE 32 5.631 19.287 10.376 49 HG12 ILE 32 HG12 ILE 32 7.933 19.886 11.002 50 HG13 ILE 32 HG11 ILE 32 7.042 19.249 12.381 51 HG21 ILE 32 HG21 ILE 32 4.864 16.995 10.414 52 HG22 ILE 32 HG22 ILE 32 5.313 17.501 12.044 53 HG23 ILE 32 HG23 ILE 32 6.394 16.466 11.112 54 HD11 ILE 32 HD11 ILE 32 8.157 17.091 12.092 55 HD12 ILE 32 HD12 ILE 32 9.309 18.402 12.345 56 HD13 ILE 32 HD13 ILE 32 9.059 17.747 10.727 57 H GLY 33 HN GLY 33 5.469 19.714 7.684 58 HA2 GLY 33 HA2 GLY 33 3.332 17.952 7.141 59 HA3 GLY 33 HA1 GLY 33 3.663 19.454 6.291 60 H LEU 34 HN LEU 34 6.426 18.298 5.671 61 HA LEU 34 HA LEU 34 5.651 17.098 3.167 62 HB2 LEU 34 HB2 LEU 34 7.387 18.535 2.794 63 HB3 LEU 34 HB1 LEU 34 8.118 18.236 4.358 64 HG LEU 34 HG LEU 34 8.875 16.014 3.482 65 HD11 LEU 34 HD11 LEU 34 8.028 17.192 0.838 66 HD12 LEU 34 HD12 LEU 34 7.282 15.809 1.638 67 HD13 LEU 34 HD13 LEU 34 8.946 15.702 1.061 68 HD21 LEU 34 HD21 LEU 34 10.379 17.922 3.646 69 HD22 LEU 34 HD22 LEU 34 9.869 18.472 2.050 70 HD23 LEU 34 HD23 LEU 34 10.747 16.952 2.220 71 H MET 35 HN MET 35 6.993 16.118 6.231 72 HA MET 35 HA MET 35 7.934 13.563 5.394 73 HB2 MET 35 HB2 MET 35 7.185 14.556 8.150 74 HB3 MET 35 HB1 MET 35 8.056 13.066 7.809 75 HG2 MET 35 HG2 MET 35 9.012 15.853 7.197 76 HG3 MET 35 HG1 MET 35 9.559 14.834 8.526 77 HE1 MET 35 HE1 MET 35 12.687 14.866 6.192 78 HE2 MET 35 HE2 MET 35 12.076 15.157 7.820 79 HE3 MET 35 HE3 MET 35 11.578 16.203 6.489 80 H VAL 36 HN VAL 36 4.878 14.808 6.550 81 HA VAL 36 HA VAL 36 3.658 12.310 7.115 82 HB VAL 36 HB VAL 36 2.317 14.905 6.339 83 HG11 VAL 36 HG11 VAL 36 1.258 12.494 7.808 84 HG12 VAL 36 HG12 VAL 36 0.826 12.991 6.172 85 HG13 VAL 36 HG13 VAL 36 0.383 14.002 7.547 86 HG21 VAL 36 HG21 VAL 36 3.026 13.842 9.072 87 HG22 VAL 36 HG22 VAL 36 2.116 15.316 8.737 88 HG23 VAL 36 HG23 VAL 36 3.807 15.193 8.252 89 H GLY 37 HN GLY 37 4.158 14.142 4.199 90 HA2 GLY 37 HA2 GLY 37 2.222 12.657 2.654 91 HA3 GLY 37 HA1 GLY 37 3.378 13.827 2.035 92 H GLY 38 HN GLY 38 5.359 12.042 3.740 93 HA2 GLY 38 HA2 GLY 38 6.169 10.466 1.441 94 HA3 GLY 38 HA1 GLY 38 7.069 10.673 2.935 95 H VAL 39 HN VAL 39 4.759 9.909 4.601 96 HA VAL 39 HA VAL 39 5.244 7.096 4.635 97 HB VAL 39 HB VAL 39 4.808 8.430 6.690 98 HG11 VAL 39 HG11 VAL 39 2.461 8.942 7.274 99 HG12 VAL 39 HG12 VAL 39 1.987 8.503 5.633 100 HG13 VAL 39 HG13 VAL 39 3.055 9.880 5.904 101 HG21 VAL 39 HG21 VAL 39 4.591 6.005 6.726 102 HG22 VAL 39 HG22 VAL 39 2.908 6.134 6.213 103 HG23 VAL 39 HG23 VAL 39 3.399 6.752 7.791 104 H VAL 40 HN VAL 40 2.792 9.149 3.283 105 HA VAL 40 HA VAL 40 0.690 7.322 3.004 106 HB VAL 40 HB VAL 40 1.422 9.557 1.105 107 HG11 VAL 40 HG11 VAL 40 -0.213 8.038 0.154 108 HG12 VAL 40 HG12 VAL 40 -0.982 9.568 0.576 109 HG13 VAL 40 HG13 VAL 40 -1.201 8.156 1.610 110 HG21 VAL 40 HG21 VAL 40 1.252 10.373 3.390 111 HG22 VAL 40 HG22 VAL 40 -0.323 9.598 3.566 112 HG23 VAL 40 HG23 VAL 40 -0.118 10.931 2.429 113 H ILE 41 HN ILE 41 3.456 8.011 0.910 114 HA ILE 41 HA ILE 41 2.684 6.244 -1.177 115 HB ILE 41 HB ILE 41 5.302 7.544 -0.454 116 HG12 ILE 41 HG12 ILE 41 4.890 8.647 -2.694 117 HG13 ILE 41 HG11 ILE 41 3.301 7.890 -2.691 118 HG21 ILE 41 HG21 ILE 41 6.200 6.701 -2.601 119 HG22 ILE 41 HG22 ILE 41 4.785 5.658 -2.747 120 HG23 ILE 41 HG23 ILE 41 5.919 5.428 -1.415 121 HD11 ILE 41 HD11 ILE 41 2.725 9.099 -0.660 122 HD12 ILE 41 HD12 ILE 41 3.197 10.202 -1.953 123 HD13 ILE 41 HD13 ILE 41 4.323 9.842 -0.644 124 H ALA 42 HN ALA 42 4.625 5.882 1.736 125 HA ALA 42 HA ALA 42 5.628 3.289 1.082 126 HB1 ALA 42 HB1 ALA 42 6.780 4.779 2.648 127 HB2 ALA 42 HB2 ALA 42 6.406 3.221 3.384 128 HB3 ALA 42 HB3 ALA 42 5.430 4.636 3.772 129 H THR 43 HN THR 43 2.660 4.460 2.360 130 HA THR 43 HA THR 43 1.862 2.198 3.856 131 HB THR 43 HB THR 43 0.093 4.190 2.419 132 HG1 THR 43 HG1 THR 43 1.727 4.473 4.540 133 HG21 THR 43 HG21 THR 43 -1.585 3.553 4.100 134 HG22 THR 43 HG22 THR 43 -0.479 2.334 4.735 135 HG23 THR 43 HG23 THR 43 -1.116 2.180 3.096 136 H MET 44 HN MET 44 1.838 2.914 0.448 137 HA MET 44 HA MET 44 0.071 0.705 -0.191 138 HB2 MET 44 HB2 MET 44 -0.049 2.764 -1.510 139 HB3 MET 44 HB1 MET 44 1.635 2.572 -1.981 140 HG2 MET 44 HG2 MET 44 1.109 0.573 -3.217 141 HG3 MET 44 HG1 MET 44 -0.562 0.630 -2.657 142 HE1 MET 44 HE1 MET 44 2.181 2.387 -4.856 143 HE2 MET 44 HE2 MET 44 1.672 3.673 -3.764 144 HE3 MET 44 HE3 MET 44 1.292 3.776 -5.483 145 H ILE 45 HN ILE 45 3.442 1.259 0.168 146 HA ILE 45 HA ILE 45 4.310 -0.895 -1.528 147 HB ILE 45 HB ILE 45 5.852 0.547 0.632 148 HG12 ILE 45 HG12 ILE 45 5.802 1.059 -2.352 149 HG13 ILE 45 HG11 ILE 45 4.955 2.039 -1.159 150 HG21 ILE 45 HG21 ILE 45 6.848 -1.584 0.031 151 HG22 ILE 45 HG22 ILE 45 7.832 -0.252 -0.580 152 HG23 ILE 45 HG23 ILE 45 6.785 -1.152 -1.678 153 HD11 ILE 45 HD11 ILE 45 7.034 3.083 -1.842 154 HD12 ILE 45 HD12 ILE 45 7.935 1.654 -1.334 155 HD13 ILE 45 HD13 ILE 45 7.089 2.636 -0.137 156 H VAL 46 HN VAL 46 3.784 -0.445 1.939 157 HA VAL 46 HA VAL 46 4.870 -2.915 2.768 158 HB VAL 46 HB VAL 46 3.635 -2.573 4.862 159 HG11 VAL 46 HG11 VAL 46 4.637 -0.408 5.474 160 HG12 VAL 46 HG12 VAL 46 4.930 -0.078 3.767 161 HG13 VAL 46 HG13 VAL 46 5.749 -1.424 4.558 162 HG21 VAL 46 HG21 VAL 46 2.210 -0.598 5.146 163 HG22 VAL 46 HG22 VAL 46 1.551 -1.709 3.948 164 HG23 VAL 46 HG23 VAL 46 2.372 -0.238 3.429 165 H ILE 47 HN ILE 47 1.830 -2.078 1.339 166 HA ILE 47 HA ILE 47 0.361 -4.348 2.238 167 HB ILE 47 HB ILE 47 -0.135 -2.599 -0.177 168 HG12 ILE 47 HG12 ILE 47 -1.352 -2.461 2.590 169 HG13 ILE 47 HG11 ILE 47 -0.069 -1.401 2.016 170 HG21 ILE 47 HG21 ILE 47 -2.440 -3.423 -0.037 171 HG22 ILE 47 HG22 ILE 47 -1.973 -4.494 1.284 172 HG23 ILE 47 HG23 ILE 47 -1.298 -4.737 -0.327 173 HD11 ILE 47 HD11 ILE 47 -2.842 -1.605 0.860 174 HD12 ILE 47 HD12 ILE 47 -1.558 -0.542 0.284 175 HD13 ILE 47 HD13 ILE 47 -2.234 -0.313 1.897 176 H THR 48 HN THR 48 2.599 -3.791 -0.372 177 HA THR 48 HA THR 48 1.783 -6.097 -1.891 178 HB THR 48 HB THR 48 3.716 -5.660 -3.301 179 HG1 THR 48 HG1 THR 48 5.363 -4.934 -2.130 180 HG21 THR 48 HG21 THR 48 1.709 -4.310 -3.667 181 HG22 THR 48 HG22 THR 48 3.167 -3.385 -4.029 182 HG23 THR 48 HG23 THR 48 2.302 -3.111 -2.518 183 H LEU 49 HN LEU 49 4.173 -5.391 0.573 184 HA LEU 49 HA LEU 49 5.627 -7.838 0.199 185 HB2 LEU 49 HB2 LEU 49 5.673 -5.658 2.252 186 HB3 LEU 49 HB1 LEU 49 6.530 -7.160 2.542 187 HG LEU 49 HG LEU 49 7.764 -6.765 0.380 188 HD11 LEU 49 HD11 LEU 49 7.808 -4.461 -0.466 189 HD12 LEU 49 HD12 LEU 49 6.491 -4.044 0.631 190 HD13 LEU 49 HD13 LEU 49 6.227 -5.214 -0.663 191 HD21 LEU 49 HD21 LEU 49 8.064 -4.726 2.581 192 HD22 LEU 49 HD22 LEU 49 9.282 -5.105 1.362 193 HD23 LEU 49 HD23 LEU 49 8.794 -6.331 2.531 194 H VAL 50 HN VAL 50 2.869 -6.842 2.070 195 HA VAL 50 HA VAL 50 2.986 -9.105 3.854 196 HB VAL 50 HB VAL 50 2.023 -6.976 4.613 197 HG11 VAL 50 HG11 VAL 50 -0.171 -7.577 2.641 198 HG12 VAL 50 HG12 VAL 50 1.005 -6.269 2.521 199 HG13 VAL 50 HG13 VAL 50 -0.178 -6.273 3.829 200 HG21 VAL 50 HG21 VAL 50 1.365 -9.038 5.721 201 HG22 VAL 50 HG22 VAL 50 0.061 -9.266 4.556 202 HG23 VAL 50 HG23 VAL 50 0.016 -7.903 5.676 203 H MET 51 HN MET 51 1.271 -8.233 0.910 204 HA MET 51 HA MET 51 -0.622 -10.317 0.945 205 HB2 MET 51 HB2 MET 51 0.560 -8.643 -1.252 206 HB3 MET 51 HB1 MET 51 -0.586 -9.929 -1.606 207 HG2 MET 51 HG2 MET 51 -1.120 -7.622 0.250 208 HG3 MET 51 HG1 MET 51 -1.619 -7.694 -1.439 209 HE1 MET 51 HE1 MET 51 -3.396 -9.426 -2.388 210 HE2 MET 51 HE2 MET 51 -4.142 -10.689 -1.410 211 HE3 MET 51 HE3 MET 51 -2.415 -10.752 -1.761 212 H LEU 52 HN LEU 52 2.727 -10.204 -0.042 213 HA LEU 52 HA LEU 52 2.708 -12.671 -1.476 214 HB2 LEU 52 HB2 LEU 52 4.983 -11.107 -0.256 215 HB3 LEU 52 HB1 LEU 52 5.183 -12.501 -1.302 216 HG LEU 52 HG LEU 52 3.831 -9.933 -2.134 217 HD11 LEU 52 HD11 LEU 52 6.186 -9.537 -1.688 218 HD12 LEU 52 HD12 LEU 52 5.875 -9.508 -3.423 219 HD13 LEU 52 HD13 LEU 52 6.625 -10.921 -2.685 220 HD21 LEU 52 HD21 LEU 52 3.070 -11.889 -3.371 221 HD22 LEU 52 HD22 LEU 52 4.740 -12.331 -3.721 222 HD23 LEU 52 HD23 LEU 52 4.063 -10.847 -4.393 223 H LYS 53 HN LYS 53 2.920 -11.805 1.853 224 HA LYS 53 HA LYS 53 4.163 -14.247 2.722 225 HB2 LYS 53 HB2 LYS 53 4.418 -12.166 4.001 226 HB3 LYS 53 HB1 LYS 53 2.686 -12.129 4.295 227 HG2 LYS 53 HG2 LYS 53 2.821 -14.143 5.615 228 HG3 LYS 53 HG1 LYS 53 4.540 -14.306 5.241 229 HD2 LYS 53 HD2 LYS 53 4.993 -12.200 6.396 230 HD3 LYS 53 HD1 LYS 53 3.275 -12.018 6.752 231 HE2 LYS 53 HE2 LYS 53 5.036 -14.276 7.701 232 HE3 LYS 53 HE1 LYS 53 4.535 -12.891 8.672 233 HZ1 LYS 53 HZ1 LYS 53 2.709 -14.904 7.471 234 HZ2 LYS 53 HZ2 LYS 53 2.238 -13.588 8.423 235 HZ3 LYS 53 HZ3 LYS 53 3.160 -14.833 9.101 236 H LYS 54 HN LYS 54 0.944 -13.166 2.075 237 HA LYS 54 HA LYS 54 -0.443 -15.058 3.676 238 HB2 LYS 54 HB2 LYS 54 -1.440 -12.961 2.750 239 HB3 LYS 54 HB1 LYS 54 -1.408 -13.698 1.155 240 HG2 LYS 54 HG2 LYS 54 -3.615 -13.894 2.054 241 HG3 LYS 54 HG1 LYS 54 -2.881 -15.498 2.010 242 HD2 LYS 54 HD2 LYS 54 -2.337 -15.305 4.394 243 HD3 LYS 54 HD1 LYS 54 -3.093 -13.709 4.431 244 HE2 LYS 54 HE2 LYS 54 -4.471 -16.311 3.775 245 HE3 LYS 54 HE1 LYS 54 -4.599 -15.429 5.296 246 HZ1 LYS 54 HZ1 LYS 54 -6.490 -14.991 3.870 247 HZ2 LYS 54 HZ2 LYS 54 -5.474 -14.437 2.635 248 HZ3 LYS 54 HZ3 LYS 54 -5.585 -13.578 4.088 249 H LYS 55 HN LYS 55 1.146 -15.232 0.621 250 HA LYS 55 HA LYS 55 0.163 -17.988 0.293 251 HB2 LYS 55 HB2 LYS 55 -0.850 -16.522 -1.404 252 HB3 LYS 55 HB1 LYS 55 0.751 -16.014 -1.922 253 HG2 LYS 55 HG2 LYS 55 1.251 -18.334 -2.571 254 HG3 LYS 55 HG1 LYS 55 -0.387 -18.795 -2.111 255 HD2 LYS 55 HD2 LYS 55 0.179 -16.650 -4.143 256 HD3 LYS 55 HD1 LYS 55 0.031 -18.350 -4.581 257 HE2 LYS 55 HE2 LYS 55 -2.107 -17.477 -4.938 258 HE3 LYS 55 HE1 LYS 55 -2.223 -18.278 -3.373 259 HZ1 LYS 55 HZ1 LYS 55 -3.267 -16.054 -3.445 260 HZ2 LYS 55 HZ2 LYS 55 -1.744 -15.369 -3.718 261 HZ3 LYS 55 HZ3 LYS 55 -2.058 -16.183 -2.269 Start of MODEL 4 1 H1 SER 26 HT1 SER 26 10.772 28.212 13.732 2 H2 SER 26 HT2 SER 26 11.531 26.759 13.314 3 H3 SER 26 HT3 SER 26 11.790 27.438 14.841 4 HA SER 26 HA SER 26 10.278 25.560 14.955 5 HB2 SER 26 HB2 SER 26 8.985 28.246 15.502 6 HB3 SER 26 HB1 SER 26 8.472 26.709 16.194 7 HG SER 26 HG SER 26 9.839 27.840 17.617 8 H ASN 27 HN ASN 27 10.218 26.648 12.116 9 HA ASN 27 HA ASN 27 7.378 26.554 11.497 10 HB2 ASN 27 HB2 ASN 27 9.780 26.895 9.689 11 HB3 ASN 27 HB1 ASN 27 8.097 27.021 9.181 12 HD21 ASN 27 HD21 ASN 27 10.673 28.508 10.978 13 HD22 ASN 27 HD22 ASN 27 9.939 30.065 11.132 14 H LYS 28 HN LYS 28 7.932 24.216 12.588 15 HA LYS 28 HA LYS 28 8.902 22.219 10.823 16 HB2 LYS 28 HB2 LYS 28 7.126 21.991 13.259 17 HB3 LYS 28 HB1 LYS 28 7.872 20.629 12.432 18 HG2 LYS 28 HG2 LYS 28 10.093 21.584 12.935 19 HG3 LYS 28 HG1 LYS 28 9.301 22.874 13.842 20 HD2 LYS 28 HD2 LYS 28 8.993 19.935 14.449 21 HD3 LYS 28 HD1 LYS 28 10.149 20.998 15.253 22 HE2 LYS 28 HE2 LYS 28 8.310 22.398 16.050 23 HE3 LYS 28 HE1 LYS 28 7.151 21.349 15.234 24 HZ1 LYS 28 HZ1 LYS 28 7.844 19.527 16.655 25 HZ2 LYS 28 HZ2 LYS 28 7.322 20.836 17.592 26 HZ3 LYS 28 HZ3 LYS 28 8.974 20.521 17.428 27 H GLY 29 HN GLY 29 6.011 23.964 10.884 28 HA2 GLY 29 HA2 GLY 29 4.142 22.044 10.023 29 HA3 GLY 29 HA1 GLY 29 4.035 23.773 9.732 30 H ALA 30 HN ALA 30 6.747 23.570 8.354 31 HA ALA 30 HA ALA 30 5.682 23.144 5.713 32 HB1 ALA 30 HB1 ALA 30 7.237 24.981 6.170 33 HB2 ALA 30 HB2 ALA 30 7.864 23.894 4.930 34 HB3 ALA 30 HB3 ALA 30 8.495 23.813 6.575 35 H ILE 31 HN ILE 31 7.389 21.277 8.027 36 HA ILE 31 HA ILE 31 8.419 19.395 6.058 37 HB ILE 31 HB ILE 31 8.551 19.295 9.077 38 HG12 ILE 31 HG12 ILE 31 10.689 20.073 7.080 39 HG13 ILE 31 HG11 ILE 31 9.750 21.220 8.029 40 HG21 ILE 31 HG21 ILE 31 10.291 17.601 8.723 41 HG22 ILE 31 HG22 ILE 31 9.991 17.665 6.986 42 HG23 ILE 31 HG23 ILE 31 8.733 17.087 8.079 43 HD11 ILE 31 HD11 ILE 31 11.612 19.129 9.130 44 HD12 ILE 31 HD12 ILE 31 10.675 20.280 10.080 45 HD13 ILE 31 HD13 ILE 31 11.943 20.857 8.998 46 H ILE 32 HN ILE 32 5.963 19.560 8.594 47 HA ILE 32 HA ILE 32 5.148 16.881 8.553 48 HB ILE 32 HB ILE 32 3.447 19.314 9.120 49 HG12 ILE 32 HG12 ILE 32 5.462 19.231 10.525 50 HG13 ILE 32 HG11 ILE 32 4.012 18.925 11.473 51 HG21 ILE 32 HG21 ILE 32 3.064 16.425 9.891 52 HG22 ILE 32 HG22 ILE 32 2.096 17.337 8.736 53 HG23 ILE 32 HG23 ILE 32 2.070 17.773 10.445 54 HD11 ILE 32 HD11 ILE 32 5.951 16.846 10.487 55 HD12 ILE 32 HD12 ILE 32 4.491 16.529 11.424 56 HD13 ILE 32 HD13 ILE 32 5.815 17.451 12.137 57 H GLY 33 HN GLY 33 4.431 19.545 6.415 58 HA2 GLY 33 HA2 GLY 33 2.185 18.295 5.142 59 HA3 GLY 33 HA1 GLY 33 3.045 19.720 4.576 60 H LEU 34 HN LEU 34 5.641 18.294 4.617 61 HA LEU 34 HA LEU 34 5.469 17.201 1.963 62 HB2 LEU 34 HB2 LEU 34 7.797 17.429 3.871 63 HB3 LEU 34 HB1 LEU 34 7.923 16.890 2.208 64 HG LEU 34 HG LEU 34 6.988 19.631 3.069 65 HD11 LEU 34 HD11 LEU 34 9.345 19.311 3.558 66 HD12 LEU 34 HD12 LEU 34 9.140 20.404 2.189 67 HD13 LEU 34 HD13 LEU 34 9.623 18.731 1.917 68 HD21 LEU 34 HD21 LEU 34 7.228 20.181 0.687 69 HD22 LEU 34 HD22 LEU 34 6.005 18.940 0.958 70 HD23 LEU 34 HD23 LEU 34 7.595 18.491 0.343 71 H MET 35 HN MET 35 5.465 15.948 5.167 72 HA MET 35 HA MET 35 6.375 13.315 4.505 73 HB2 MET 35 HB2 MET 35 4.893 14.364 6.922 74 HB3 MET 35 HB1 MET 35 5.534 12.732 6.780 75 HG2 MET 35 HG2 MET 35 7.139 15.277 6.733 76 HG3 MET 35 HG1 MET 35 7.011 14.149 8.082 77 HE1 MET 35 HE1 MET 35 9.682 14.042 8.198 78 HE2 MET 35 HE2 MET 35 9.784 15.162 6.841 79 HE3 MET 35 HE3 MET 35 10.699 13.656 6.813 80 H VAL 36 HN VAL 36 3.355 14.981 4.398 81 HA VAL 36 HA VAL 36 1.570 12.823 4.568 82 HB VAL 36 HB VAL 36 1.225 15.337 2.924 83 HG11 VAL 36 HG11 VAL 36 -0.804 13.444 4.111 84 HG12 VAL 36 HG12 VAL 36 -0.413 13.615 2.400 85 HG13 VAL 36 HG13 VAL 36 -1.170 14.950 3.267 86 HG21 VAL 36 HG21 VAL 36 0.565 14.810 5.820 87 HG22 VAL 36 HG22 VAL 36 0.110 16.255 4.914 88 HG23 VAL 36 HG23 VAL 36 1.811 15.899 5.213 89 H GLY 37 HN GLY 37 3.392 14.147 1.851 90 HA2 GLY 37 HA2 GLY 37 2.104 12.425 -0.077 91 HA3 GLY 37 HA1 GLY 37 3.468 13.493 -0.375 92 H GLY 38 HN GLY 38 4.423 11.892 2.254 93 HA2 GLY 38 HA2 GLY 38 5.782 9.834 0.640 94 HA3 GLY 38 HA1 GLY 38 6.425 10.547 2.111 95 H VAL 39 HN VAL 39 3.596 10.278 3.263 96 HA VAL 39 HA VAL 39 4.050 7.690 4.441 97 HB VAL 39 HB VAL 39 3.275 9.489 5.867 98 HG11 VAL 39 HG11 VAL 39 0.791 9.516 4.158 99 HG12 VAL 39 HG12 VAL 39 2.024 10.776 4.222 100 HG13 VAL 39 HG13 VAL 39 1.032 10.440 5.641 101 HG21 VAL 39 HG21 VAL 39 1.153 7.374 5.520 102 HG22 VAL 39 HG22 VAL 39 1.390 8.372 6.955 103 HG23 VAL 39 HG23 VAL 39 2.631 7.215 6.468 104 H VAL 40 HN VAL 40 1.715 9.136 2.230 105 HA VAL 40 HA VAL 40 -0.085 6.971 2.121 106 HB VAL 40 HB VAL 40 0.512 8.999 -0.039 107 HG11 VAL 40 HG11 VAL 40 -1.908 7.256 0.416 108 HG12 VAL 40 HG12 VAL 40 -0.728 7.084 -0.884 109 HG13 VAL 40 HG13 VAL 40 -1.764 8.510 -0.815 110 HG21 VAL 40 HG21 VAL 40 -0.072 10.079 2.063 111 HG22 VAL 40 HG22 VAL 40 -1.518 9.076 2.192 112 HG23 VAL 40 HG23 VAL 40 -1.376 10.255 0.887 113 H ILE 41 HN ILE 41 2.897 7.677 0.410 114 HA ILE 41 HA ILE 41 2.652 5.691 -1.589 115 HB ILE 41 HB ILE 41 5.135 6.959 -0.444 116 HG12 ILE 41 HG12 ILE 41 3.324 7.625 -2.766 117 HG13 ILE 41 HG11 ILE 41 3.738 8.643 -1.393 118 HG21 ILE 41 HG21 ILE 41 5.589 4.815 -1.573 119 HG22 ILE 41 HG22 ILE 41 6.261 6.185 -2.454 120 HG23 ILE 41 HG23 ILE 41 4.775 5.415 -3.015 121 HD11 ILE 41 HD11 ILE 41 6.064 8.725 -2.227 122 HD12 ILE 41 HD12 ILE 41 4.883 9.432 -3.330 123 HD13 ILE 41 HD13 ILE 41 5.538 7.828 -3.649 124 H ALA 42 HN ALA 42 4.434 5.741 1.492 125 HA ALA 42 HA ALA 42 5.441 3.129 1.350 126 HB1 ALA 42 HB1 ALA 42 5.856 3.337 3.738 127 HB2 ALA 42 HB2 ALA 42 4.790 4.738 3.816 128 HB3 ALA 42 HB3 ALA 42 6.292 4.825 2.898 129 H THR 43 HN THR 43 2.342 4.366 2.407 130 HA THR 43 HA THR 43 1.447 2.078 3.794 131 HB THR 43 HB THR 43 -0.214 4.140 2.326 132 HG1 THR 43 HG1 THR 43 0.977 4.064 4.888 133 HG21 THR 43 HG21 THR 43 -1.992 3.479 3.889 134 HG22 THR 43 HG22 THR 43 -0.944 2.223 4.546 135 HG23 THR 43 HG23 THR 43 -1.491 2.128 2.872 136 H MET 44 HN MET 44 1.597 2.884 0.413 137 HA MET 44 HA MET 44 -0.150 0.708 -0.379 138 HB2 MET 44 HB2 MET 44 -0.170 2.805 -1.645 139 HB3 MET 44 HB1 MET 44 1.533 2.603 -2.029 140 HG2 MET 44 HG2 MET 44 1.009 0.576 -3.287 141 HG3 MET 44 HG1 MET 44 -0.700 0.785 -2.905 142 HE1 MET 44 HE1 MET 44 1.914 3.606 -3.767 143 HE2 MET 44 HE2 MET 44 1.723 3.719 -5.516 144 HE3 MET 44 HE3 MET 44 2.402 2.260 -4.796 145 H ILE 45 HN ILE 45 3.265 1.360 -0.093 146 HA ILE 45 HA ILE 45 4.167 -0.819 -1.690 147 HB ILE 45 HB ILE 45 5.616 0.665 0.506 148 HG12 ILE 45 HG12 ILE 45 5.752 1.051 -2.491 149 HG13 ILE 45 HG11 ILE 45 4.803 2.062 -1.408 150 HG21 ILE 45 HG21 ILE 45 6.669 -1.131 -1.675 151 HG22 ILE 45 HG22 ILE 45 6.656 -1.480 0.053 152 HG23 ILE 45 HG23 ILE 45 7.661 -0.174 -0.577 153 HD11 ILE 45 HD11 ILE 45 6.913 3.115 -1.986 154 HD12 ILE 45 HD12 ILE 45 7.791 1.730 -1.339 155 HD13 ILE 45 HD13 ILE 45 6.840 2.751 -0.262 156 H VAL 46 HN VAL 46 3.847 -0.363 1.824 157 HA VAL 46 HA VAL 46 4.826 -2.800 2.683 158 HB VAL 46 HB VAL 46 3.408 -2.516 4.694 159 HG11 VAL 46 HG11 VAL 46 4.779 -0.005 3.733 160 HG12 VAL 46 HG12 VAL 46 5.548 -1.369 4.546 161 HG13 VAL 46 HG13 VAL 46 4.374 -0.376 5.409 162 HG21 VAL 46 HG21 VAL 46 2.270 -0.168 3.180 163 HG22 VAL 46 HG22 VAL 46 1.972 -0.536 4.878 164 HG23 VAL 46 HG23 VAL 46 1.405 -1.638 3.625 165 H ILE 47 HN ILE 47 1.819 -2.108 1.101 166 HA ILE 47 HA ILE 47 0.348 -4.364 1.939 167 HB ILE 47 HB ILE 47 0.125 -2.839 -0.658 168 HG12 ILE 47 HG12 ILE 47 -1.445 -2.535 1.911 169 HG13 ILE 47 HG11 ILE 47 -0.139 -1.468 1.412 170 HG21 ILE 47 HG21 ILE 47 -0.940 -5.029 -0.780 171 HG22 ILE 47 HG22 ILE 47 -2.147 -3.744 -0.759 172 HG23 ILE 47 HG23 ILE 47 -1.837 -4.684 0.698 173 HD11 ILE 47 HD11 ILE 47 -2.739 -1.884 -0.044 174 HD12 ILE 47 HD12 ILE 47 -1.427 -0.828 -0.564 175 HD13 ILE 47 HD13 ILE 47 -2.297 -0.483 0.932 176 H THR 48 HN THR 48 2.321 -3.812 -0.977 177 HA THR 48 HA THR 48 1.946 -6.332 -2.134 178 HB THR 48 HB THR 48 3.987 -5.897 -3.421 179 HG1 THR 48 HG1 THR 48 5.482 -4.813 -2.388 180 HG21 THR 48 HG21 THR 48 1.916 -4.792 -4.109 181 HG22 THR 48 HG22 THR 48 3.315 -3.771 -4.442 182 HG23 THR 48 HG23 THR 48 2.285 -3.429 -3.052 183 H LEU 49 HN LEU 49 3.912 -5.328 0.527 184 HA LEU 49 HA LEU 49 5.684 -7.586 0.465 185 HB2 LEU 49 HB2 LEU 49 5.161 -5.360 2.396 186 HB3 LEU 49 HB1 LEU 49 6.105 -6.746 2.904 187 HG LEU 49 HG LEU 49 7.561 -4.931 2.206 188 HD11 LEU 49 HD11 LEU 49 8.319 -7.214 1.819 189 HD12 LEU 49 HD12 LEU 49 8.922 -6.125 0.570 190 HD13 LEU 49 HD13 LEU 49 7.568 -7.200 0.224 191 HD21 LEU 49 HD21 LEU 49 6.150 -5.141 -0.449 192 HD22 LEU 49 HD22 LEU 49 7.607 -4.197 -0.145 193 HD23 LEU 49 HD23 LEU 49 6.100 -3.777 0.668 194 H VAL 50 HN VAL 50 3.001 -6.620 2.618 195 HA VAL 50 HA VAL 50 2.991 -8.941 4.173 196 HB VAL 50 HB VAL 50 1.788 -6.889 4.803 197 HG11 VAL 50 HG11 VAL 50 -0.123 -7.722 2.631 198 HG12 VAL 50 HG12 VAL 50 0.854 -6.257 2.682 199 HG13 VAL 50 HG13 VAL 50 -0.454 -6.482 3.840 200 HG21 VAL 50 HG21 VAL 50 -0.200 -7.983 5.735 201 HG22 VAL 50 HG22 VAL 50 1.241 -8.985 5.910 202 HG23 VAL 50 HG23 VAL 50 0.055 -9.354 4.657 203 H MET 51 HN MET 51 1.578 -8.286 1.038 204 HA MET 51 HA MET 51 -0.212 -10.441 0.906 205 HB2 MET 51 HB2 MET 51 1.315 -8.982 -1.248 206 HB3 MET 51 HB1 MET 51 0.121 -10.225 -1.599 207 HG2 MET 51 HG2 MET 51 -1.619 -8.923 -0.600 208 HG3 MET 51 HG1 MET 51 -0.459 -7.728 -0.027 209 HE1 MET 51 HE1 MET 51 -0.548 -9.560 -3.508 210 HE2 MET 51 HE2 MET 51 -1.461 -8.409 -4.480 211 HE3 MET 51 HE3 MET 51 -2.253 -9.271 -3.161 212 H LEU 52 HN LEU 52 3.167 -10.212 -0.206 213 HA LEU 52 HA LEU 52 3.407 -12.848 -1.089 214 HB2 LEU 52 HB2 LEU 52 4.917 -10.880 -1.566 215 HB3 LEU 52 HB1 LEU 52 5.603 -11.117 0.032 216 HG LEU 52 HG LEU 52 6.157 -13.461 -0.685 217 HD11 LEU 52 HD11 LEU 52 5.501 -12.329 -3.394 218 HD12 LEU 52 HD12 LEU 52 4.627 -13.613 -2.563 219 HD13 LEU 52 HD13 LEU 52 6.289 -13.879 -3.094 220 HD21 LEU 52 HD21 LEU 52 7.843 -11.706 -0.543 221 HD22 LEU 52 HD22 LEU 52 7.450 -11.187 -2.181 222 HD23 LEU 52 HD23 LEU 52 8.164 -12.774 -1.908 223 H LYS 53 HN LYS 53 3.912 -11.355 2.062 224 HA LYS 53 HA LYS 53 5.190 -13.484 3.354 225 HB2 LYS 53 HB2 LYS 53 5.015 -11.208 4.291 226 HB3 LYS 53 HB1 LYS 53 3.291 -11.445 4.530 227 HG2 LYS 53 HG2 LYS 53 4.320 -11.777 6.627 228 HG3 LYS 53 HG1 LYS 53 3.864 -13.374 6.034 229 HD2 LYS 53 HD2 LYS 53 6.063 -13.546 6.942 230 HD3 LYS 53 HD1 LYS 53 6.211 -13.628 5.186 231 HE2 LYS 53 HE2 LYS 53 7.935 -12.195 6.153 232 HE3 LYS 53 HE1 LYS 53 6.841 -11.272 5.123 233 HZ1 LYS 53 HZ1 LYS 53 7.319 -10.099 7.178 234 HZ2 LYS 53 HZ2 LYS 53 6.729 -11.397 8.090 235 HZ3 LYS 53 HZ3 LYS 53 5.679 -10.511 7.103 236 H LYS 54 HN LYS 54 1.744 -12.715 3.031 237 HA LYS 54 HA LYS 54 0.815 -14.891 4.586 238 HB2 LYS 54 HB2 LYS 54 -0.514 -12.851 4.062 239 HB3 LYS 54 HB1 LYS 54 -0.641 -13.399 2.396 240 HG2 LYS 54 HG2 LYS 54 -2.668 -13.935 3.548 241 HG3 LYS 54 HG1 LYS 54 -1.801 -15.433 3.201 242 HD2 LYS 54 HD2 LYS 54 -0.967 -15.500 5.486 243 HD3 LYS 54 HD1 LYS 54 -1.768 -13.970 5.841 244 HE2 LYS 54 HE2 LYS 54 -3.132 -16.541 5.052 245 HE3 LYS 54 HE1 LYS 54 -3.055 -15.873 6.681 246 HZ1 LYS 54 HZ1 LYS 54 -4.361 -14.587 4.343 247 HZ2 LYS 54 HZ2 LYS 54 -4.288 -13.943 5.907 248 HZ3 LYS 54 HZ3 LYS 54 -5.160 -15.364 5.618 249 H LYS 55 HN LYS 55 2.027 -14.667 1.393 250 HA LYS 55 HA LYS 55 0.889 -17.287 0.694 251 HB2 LYS 55 HB2 LYS 55 2.212 -15.256 -1.113 252 HB3 LYS 55 HB1 LYS 55 1.442 -16.752 -1.623 253 HG2 LYS 55 HG2 LYS 55 0.036 -14.453 -0.279 254 HG3 LYS 55 HG1 LYS 55 0.038 -14.776 -2.015 255 HD2 LYS 55 HD2 LYS 55 -1.068 -16.906 -1.645 256 HD3 LYS 55 HD1 LYS 55 -1.005 -16.661 0.101 257 HE2 LYS 55 HE2 LYS 55 -3.218 -16.132 -0.798 258 HE3 LYS 55 HE1 LYS 55 -2.444 -14.706 -0.107 259 HZ1 LYS 55 HZ1 LYS 55 -1.821 -14.011 -2.339 260 HZ2 LYS 55 HZ2 LYS 55 -3.497 -14.196 -2.216 261 HZ3 LYS 55 HZ3 LYS 55 -2.573 -15.376 -2.999 Start of MODEL 5 1 H1 SER 26 HT1 SER 26 4.032 29.221 2.000 2 H2 SER 26 HT2 SER 26 2.558 29.014 2.804 3 H3 SER 26 HT3 SER 26 3.826 27.924 3.068 4 HA SER 26 HA SER 26 5.154 29.633 4.088 5 HB2 SER 26 HB2 SER 26 4.143 31.841 4.556 6 HB3 SER 26 HB1 SER 26 4.276 31.541 2.823 7 HG SER 26 HG SER 26 2.048 31.879 4.385 8 H ASN 27 HN ASN 27 2.736 27.678 4.490 9 HA ASN 27 HA ASN 27 2.570 28.156 7.375 10 HB2 ASN 27 HB2 ASN 27 0.184 27.535 5.619 11 HB3 ASN 27 HB1 ASN 27 0.165 27.618 7.378 12 HD21 ASN 27 HD21 ASN 27 0.417 29.430 4.421 13 HD22 ASN 27 HD22 ASN 27 0.128 30.986 5.117 14 H LYS 28 HN LYS 28 1.822 26.224 8.572 15 HA LYS 28 HA LYS 28 3.168 23.889 7.610 16 HB2 LYS 28 HB2 LYS 28 1.481 24.364 10.071 17 HB3 LYS 28 HB1 LYS 28 2.340 22.865 9.744 18 HG2 LYS 28 HG2 LYS 28 3.648 25.564 10.017 19 HG3 LYS 28 HG1 LYS 28 3.526 24.366 11.306 20 HD2 LYS 28 HD2 LYS 28 4.862 23.866 8.649 21 HD3 LYS 28 HD1 LYS 28 5.718 24.364 10.111 22 HE2 LYS 28 HE2 LYS 28 4.936 22.348 11.253 23 HE3 LYS 28 HE1 LYS 28 4.071 21.853 9.799 24 HZ1 LYS 28 HZ1 LYS 28 6.191 20.720 9.989 25 HZ2 LYS 28 HZ2 LYS 28 7.012 22.197 10.033 26 HZ3 LYS 28 HZ3 LYS 28 6.187 21.731 8.632 27 H GLY 29 HN GLY 29 -0.182 24.905 7.935 28 HA2 GLY 29 HA2 GLY 29 -1.390 22.400 7.454 29 HA3 GLY 29 HA1 GLY 29 -2.143 23.966 7.198 30 H ALA 30 HN ALA 30 0.101 24.693 5.326 31 HA ALA 30 HA ALA 30 -1.172 23.760 2.934 32 HB1 ALA 30 HB1 ALA 30 1.342 25.392 3.266 33 HB2 ALA 30 HB2 ALA 30 -0.292 26.037 3.111 34 HB3 ALA 30 HB3 ALA 30 0.442 25.163 1.767 35 H ILE 31 HN ILE 31 1.506 22.750 4.842 36 HA ILE 31 HA ILE 31 2.773 21.252 2.708 37 HB ILE 31 HB ILE 31 3.361 21.226 5.672 38 HG12 ILE 31 HG12 ILE 31 4.763 22.718 3.441 39 HG13 ILE 31 HG11 ILE 31 3.651 23.453 4.590 40 HG21 ILE 31 HG21 ILE 31 4.160 19.225 4.551 41 HG22 ILE 31 HG22 ILE 31 5.516 20.259 4.998 42 HG23 ILE 31 HG23 ILE 31 4.961 20.208 3.326 43 HD11 ILE 31 HD11 ILE 31 6.267 22.134 5.278 44 HD12 ILE 31 HD12 ILE 31 5.159 22.900 6.417 45 HD13 ILE 31 HD13 ILE 31 5.972 23.869 5.188 46 H ILE 32 HN ILE 32 0.599 20.675 5.392 47 HA ILE 32 HA ILE 32 0.770 17.926 5.671 48 HB ILE 32 HB ILE 32 -1.722 19.630 5.840 49 HG12 ILE 32 HG12 ILE 32 0.081 20.395 7.326 50 HG13 ILE 32 HG11 ILE 32 -1.257 19.709 8.243 51 HG21 ILE 32 HG21 ILE 32 -2.311 17.293 5.655 52 HG22 ILE 32 HG22 ILE 32 -2.585 17.847 7.308 53 HG23 ILE 32 HG23 ILE 32 -1.164 16.874 6.926 54 HD11 ILE 32 HD11 ILE 32 1.333 18.316 7.602 55 HD12 ILE 32 HD12 ILE 32 0.000 17.644 8.539 56 HD13 ILE 32 HD13 ILE 32 0.895 19.035 9.152 57 H GLY 33 HN GLY 33 -0.775 19.820 3.162 58 HA2 GLY 33 HA2 GLY 33 -2.398 17.820 2.034 59 HA3 GLY 33 HA1 GLY 33 -1.769 19.223 1.182 60 H LEU 34 HN LEU 34 0.969 18.716 1.367 61 HA LEU 34 HA LEU 34 1.255 16.767 -0.715 62 HB2 LEU 34 HB2 LEU 34 3.311 18.377 0.803 63 HB3 LEU 34 HB1 LEU 34 3.673 17.353 -0.574 64 HG LEU 34 HG LEU 34 1.879 19.783 -0.633 65 HD11 LEU 34 HD11 LEU 34 4.678 19.374 -1.673 66 HD12 LEU 34 HD12 LEU 34 4.212 20.382 -0.303 67 HD13 LEU 34 HD13 LEU 34 3.682 20.808 -1.932 68 HD21 LEU 34 HD21 LEU 34 1.203 18.109 -2.263 69 HD22 LEU 34 HD22 LEU 34 2.861 17.988 -2.850 70 HD23 LEU 34 HD23 LEU 34 1.955 19.484 -3.068 71 H MET 35 HN MET 35 1.531 16.759 2.713 72 HA MET 35 HA MET 35 3.339 14.602 3.019 73 HB2 MET 35 HB2 MET 35 1.160 15.647 4.833 74 HB3 MET 35 HB1 MET 35 2.306 14.401 5.302 75 HG2 MET 35 HG2 MET 35 2.979 17.228 4.518 76 HG3 MET 35 HG1 MET 35 2.975 16.568 6.153 77 HE1 MET 35 HE1 MET 35 4.230 13.677 5.700 78 HE2 MET 35 HE2 MET 35 4.690 14.751 7.023 79 HE3 MET 35 HE3 MET 35 5.934 14.014 6.011 80 H VAL 36 HN VAL 36 0.003 14.801 2.187 81 HA VAL 36 HA VAL 36 -0.835 12.218 2.945 82 HB VAL 36 HB VAL 36 -1.871 13.901 0.659 83 HG11 VAL 36 HG11 VAL 36 -2.616 11.585 0.559 84 HG12 VAL 36 HG12 VAL 36 -3.952 12.656 0.982 85 HG13 VAL 36 HG13 VAL 36 -3.174 11.681 2.229 86 HG21 VAL 36 HG21 VAL 36 -1.889 15.161 2.736 87 HG22 VAL 36 HG22 VAL 36 -2.713 13.834 3.553 88 HG23 VAL 36 HG23 VAL 36 -3.532 14.722 2.269 89 H GLY 37 HN GLY 37 0.740 13.470 0.053 90 HA2 GLY 37 HA2 GLY 37 0.478 11.028 -1.434 91 HA3 GLY 37 HA1 GLY 37 1.480 12.406 -1.861 92 H GLY 38 HN GLY 38 2.404 11.890 1.160 93 HA2 GLY 38 HA2 GLY 38 4.593 10.106 0.323 94 HA3 GLY 38 HA1 GLY 38 4.694 11.300 1.608 95 H VAL 39 HN VAL 39 2.034 10.481 2.657 96 HA VAL 39 HA VAL 39 2.997 8.366 4.369 97 HB VAL 39 HB VAL 39 1.715 10.214 5.332 98 HG11 VAL 39 HG11 VAL 39 0.247 10.683 3.445 99 HG12 VAL 39 HG12 VAL 39 -0.686 10.429 4.920 100 HG13 VAL 39 HG13 VAL 39 -0.591 9.154 3.705 101 HG21 VAL 39 HG21 VAL 39 0.270 7.572 5.520 102 HG22 VAL 39 HG22 VAL 39 0.160 8.897 6.681 103 HG23 VAL 39 HG23 VAL 39 1.689 8.048 6.456 104 H VAL 40 HN VAL 40 0.678 8.732 1.761 105 HA VAL 40 HA VAL 40 -0.472 6.116 2.118 106 HB VAL 40 HB VAL 40 -0.680 7.999 -0.239 107 HG11 VAL 40 HG11 VAL 40 -2.683 6.689 -0.812 108 HG12 VAL 40 HG12 VAL 40 -2.312 5.572 0.501 109 HG13 VAL 40 HG13 VAL 40 -1.211 5.720 -0.870 110 HG21 VAL 40 HG21 VAL 40 -1.534 8.991 1.829 111 HG22 VAL 40 HG22 VAL 40 -2.560 7.578 2.085 112 HG23 VAL 40 HG23 VAL 40 -2.841 8.634 0.701 113 H ILE 41 HN ILE 41 1.870 7.607 -0.085 114 HA ILE 41 HA ILE 41 2.261 5.417 -1.778 115 HB ILE 41 HB ILE 41 3.078 7.842 -2.030 116 HG12 ILE 41 HG12 ILE 41 5.083 5.718 -2.756 117 HG13 ILE 41 HG11 ILE 41 3.497 5.808 -3.512 118 HG21 ILE 41 HG21 ILE 41 4.375 7.909 0.058 119 HG22 ILE 41 HG22 ILE 41 5.362 8.283 -1.355 120 HG23 ILE 41 HG23 ILE 41 5.469 6.693 -0.600 121 HD11 ILE 41 HD11 ILE 41 5.187 6.880 -4.878 122 HD12 ILE 41 HD12 ILE 41 5.588 7.966 -3.548 123 HD13 ILE 41 HD13 ILE 41 4.000 8.051 -4.308 124 H ALA 42 HN ALA 42 3.454 6.108 1.410 125 HA ALA 42 HA ALA 42 5.523 4.095 1.332 126 HB1 ALA 42 HB1 ALA 42 5.791 6.111 2.698 127 HB2 ALA 42 HB2 ALA 42 5.868 4.648 3.681 128 HB3 ALA 42 HB3 ALA 42 4.403 5.632 3.677 129 H THR 43 HN THR 43 2.169 4.229 2.034 130 HA THR 43 HA THR 43 2.160 1.820 3.649 131 HB THR 43 HB THR 43 -0.191 3.353 2.524 132 HG1 THR 43 HG1 THR 43 0.959 3.486 5.131 133 HG21 THR 43 HG21 THR 43 -0.022 1.352 4.780 134 HG22 THR 43 HG22 THR 43 -0.718 1.049 3.188 135 HG23 THR 43 HG23 THR 43 -1.470 2.220 4.271 136 H MET 44 HN MET 44 1.485 2.780 0.343 137 HA MET 44 HA MET 44 0.214 0.354 -0.431 138 HB2 MET 44 HB2 MET 44 0.544 1.161 -2.729 139 HB3 MET 44 HB1 MET 44 -0.129 2.408 -1.691 140 HG2 MET 44 HG2 MET 44 2.092 3.409 -1.468 141 HG3 MET 44 HG1 MET 44 2.751 2.167 -2.532 142 HE1 MET 44 HE1 MET 44 0.924 2.966 -5.912 143 HE2 MET 44 HE2 MET 44 0.409 1.838 -4.657 144 HE3 MET 44 HE3 MET 44 2.110 1.937 -5.112 145 H ILE 45 HN ILE 45 3.475 1.237 0.097 146 HA ILE 45 HA ILE 45 4.582 -0.810 -1.630 147 HB ILE 45 HB ILE 45 5.927 1.008 0.372 148 HG12 ILE 45 HG12 ILE 45 5.913 1.117 -2.651 149 HG13 ILE 45 HG11 ILE 45 4.888 2.109 -1.621 150 HG21 ILE 45 HG21 ILE 45 7.217 -1.022 0.077 151 HG22 ILE 45 HG22 ILE 45 8.026 0.327 -0.721 152 HG23 ILE 45 HG23 ILE 45 7.128 -0.853 -1.676 153 HD11 ILE 45 HD11 ILE 45 6.863 3.148 -0.648 154 HD12 ILE 45 HD12 ILE 45 6.839 3.335 -2.401 155 HD13 ILE 45 HD13 ILE 45 7.897 2.138 -1.656 156 H VAL 46 HN VAL 46 3.807 -0.377 1.754 157 HA VAL 46 HA VAL 46 5.261 -2.736 2.578 158 HB VAL 46 HB VAL 46 4.367 -2.310 4.803 159 HG11 VAL 46 HG11 VAL 46 5.348 -0.098 5.181 160 HG12 VAL 46 HG12 VAL 46 5.329 0.204 3.442 161 HG13 VAL 46 HG13 VAL 46 6.343 -1.077 4.105 162 HG21 VAL 46 HG21 VAL 46 2.799 -0.070 3.526 163 HG22 VAL 46 HG22 VAL 46 2.885 -0.430 5.250 164 HG23 VAL 46 HG23 VAL 46 2.121 -1.574 4.148 165 H ILE 47 HN ILE 47 1.991 -1.913 1.673 166 HA ILE 47 HA ILE 47 0.739 -4.217 2.778 167 HB ILE 47 HB ILE 47 -0.137 -2.354 0.567 168 HG12 ILE 47 HG12 ILE 47 -1.116 -2.631 3.415 169 HG13 ILE 47 HG11 ILE 47 0.056 -1.430 2.886 170 HG21 ILE 47 HG21 ILE 47 -1.678 -4.574 1.907 171 HG22 ILE 47 HG22 ILE 47 -1.204 -4.491 0.210 172 HG23 ILE 47 HG23 ILE 47 -2.381 -3.347 0.853 173 HD11 ILE 47 HD11 ILE 47 -1.612 -0.460 1.394 174 HD12 ILE 47 HD12 ILE 47 -2.168 -0.480 3.068 175 HD13 ILE 47 HD13 ILE 47 -2.784 -1.669 1.920 176 H THR 48 HN THR 48 2.433 -3.561 -0.198 177 HA THR 48 HA THR 48 1.491 -5.813 -1.649 178 HB THR 48 HB THR 48 3.475 -5.449 -3.107 179 HG1 THR 48 HG1 THR 48 4.229 -3.084 -2.016 180 HG21 THR 48 HG21 THR 48 2.835 -3.169 -3.850 181 HG22 THR 48 HG22 THR 48 1.868 -2.998 -2.385 182 HG23 THR 48 HG23 THR 48 1.448 -4.224 -3.579 183 H LEU 49 HN LEU 49 3.788 -5.399 0.866 184 HA LEU 49 HA LEU 49 5.399 -7.687 0.325 185 HB2 LEU 49 HB2 LEU 49 4.965 -6.299 2.968 186 HB3 LEU 49 HB1 LEU 49 6.303 -7.350 2.544 187 HG LEU 49 HG LEU 49 5.746 -4.645 1.319 188 HD11 LEU 49 HD11 LEU 49 7.732 -3.921 2.528 189 HD12 LEU 49 HD12 LEU 49 7.880 -5.517 3.261 190 HD13 LEU 49 HD13 LEU 49 6.493 -4.499 3.642 191 HD21 LEU 49 HD21 LEU 49 6.815 -6.169 -0.254 192 HD22 LEU 49 HD22 LEU 49 8.062 -6.538 0.937 193 HD23 LEU 49 HD23 LEU 49 7.933 -4.911 0.268 194 H VAL 50 HN VAL 50 2.626 -7.071 2.448 195 HA VAL 50 HA VAL 50 2.594 -9.713 3.531 196 HB VAL 50 HB VAL 50 1.661 -7.759 4.736 197 HG11 VAL 50 HG11 VAL 50 -0.588 -6.962 4.116 198 HG12 VAL 50 HG12 VAL 50 -0.491 -7.917 2.637 199 HG13 VAL 50 HG13 VAL 50 0.635 -6.588 2.904 200 HG21 VAL 50 HG21 VAL 50 -0.348 -8.897 5.579 201 HG22 VAL 50 HG22 VAL 50 1.007 -10.007 5.389 202 HG23 VAL 50 HG23 VAL 50 -0.294 -9.995 4.200 203 H MET 51 HN MET 51 1.234 -8.199 0.722 204 HA MET 51 HA MET 51 -0.856 -10.045 0.230 205 HB2 MET 51 HB2 MET 51 0.638 -8.093 -1.497 206 HB3 MET 51 HB1 MET 51 -0.553 -9.186 -2.190 207 HG2 MET 51 HG2 MET 51 -2.258 -8.273 -0.696 208 HG3 MET 51 HG1 MET 51 -1.062 -7.175 -0.009 209 HE1 MET 51 HE1 MET 51 -3.995 -6.385 -1.491 210 HE2 MET 51 HE2 MET 51 -3.424 -4.839 -2.120 211 HE3 MET 51 HE3 MET 51 -2.950 -5.362 -0.506 212 H LEU 52 HN LEU 52 2.566 -10.041 -0.523 213 HA LEU 52 HA LEU 52 2.406 -12.262 -2.339 214 HB2 LEU 52 HB2 LEU 52 4.562 -10.596 -1.169 215 HB3 LEU 52 HB1 LEU 52 5.009 -12.212 -1.676 216 HG LEU 52 HG LEU 52 5.457 -10.544 -3.419 217 HD11 LEU 52 HD11 LEU 52 4.352 -11.697 -5.266 218 HD12 LEU 52 HD12 LEU 52 3.241 -12.460 -4.128 219 HD13 LEU 52 HD13 LEU 52 4.963 -12.838 -4.069 220 HD21 LEU 52 HD21 LEU 52 3.721 -8.938 -2.931 221 HD22 LEU 52 HD22 LEU 52 2.474 -10.108 -3.360 222 HD23 LEU 52 HD23 LEU 52 3.565 -9.489 -4.599 223 H LYS 53 HN LYS 53 2.917 -11.831 1.087 224 HA LYS 53 HA LYS 53 3.994 -14.380 1.655 225 HB2 LYS 53 HB2 LYS 53 2.387 -12.503 3.395 226 HB3 LYS 53 HB1 LYS 53 3.224 -13.931 3.986 227 HG2 LYS 53 HG2 LYS 53 5.357 -12.970 3.245 228 HG3 LYS 53 HG1 LYS 53 4.502 -11.527 2.697 229 HD2 LYS 53 HD2 LYS 53 3.718 -11.147 5.002 230 HD3 LYS 53 HD1 LYS 53 4.635 -12.560 5.530 231 HE2 LYS 53 HE2 LYS 53 5.871 -10.520 5.994 232 HE3 LYS 53 HE1 LYS 53 6.706 -11.490 4.783 233 HZ1 LYS 53 HZ1 LYS 53 5.000 -9.122 4.232 234 HZ2 LYS 53 HZ2 LYS 53 5.786 -10.058 3.062 235 HZ3 LYS 53 HZ3 LYS 53 6.691 -9.159 4.174 236 H LYS 54 HN LYS 54 0.773 -13.274 1.018 237 HA LYS 54 HA LYS 54 -0.403 -15.772 1.975 238 HB2 LYS 54 HB2 LYS 54 -1.584 -13.725 2.552 239 HB3 LYS 54 HB1 LYS 54 -1.675 -13.266 0.856 240 HG2 LYS 54 HG2 LYS 54 -3.802 -14.122 1.602 241 HG3 LYS 54 HG1 LYS 54 -3.097 -15.219 0.415 242 HD2 LYS 54 HD2 LYS 54 -2.289 -16.645 2.265 243 HD3 LYS 54 HD1 LYS 54 -3.088 -15.570 3.412 244 HE2 LYS 54 HE2 LYS 54 -4.455 -17.536 2.954 245 HE3 LYS 54 HE1 LYS 54 -5.246 -16.069 2.383 246 HZ1 LYS 54 HZ1 LYS 54 -3.738 -17.989 0.695 247 HZ2 LYS 54 HZ2 LYS 54 -4.487 -16.577 0.143 248 HZ3 LYS 54 HZ3 LYS 54 -5.422 -17.843 0.764 249 H LYS 55 HN LYS 55 0.071 -13.937 -1.009 250 HA LYS 55 HA LYS 55 -0.975 -16.204 -2.552 251 HB2 LYS 55 HB2 LYS 55 -0.360 -13.371 -3.408 252 HB3 LYS 55 HB1 LYS 55 -0.988 -14.627 -4.465 253 HG2 LYS 55 HG2 LYS 55 -2.999 -14.781 -3.053 254 HG3 LYS 55 HG1 LYS 55 -2.373 -13.463 -2.059 255 HD2 LYS 55 HD2 LYS 55 -2.907 -13.256 -5.020 256 HD3 LYS 55 HD1 LYS 55 -4.037 -12.741 -3.767 257 HE2 LYS 55 HE2 LYS 55 -2.375 -11.152 -2.925 258 HE3 LYS 55 HE1 LYS 55 -1.245 -11.672 -4.175 259 HZ1 LYS 55 HZ1 LYS 55 -3.882 -10.399 -4.664 260 HZ2 LYS 55 HZ2 LYS 55 -2.782 -10.880 -5.855 261 HZ3 LYS 55 HZ3 LYS 55 -2.381 -9.629 -4.790 Start of MODEL 6 1 H1 SER 26 HT1 SER 26 26.687 15.682 9.502 2 H2 SER 26 HT2 SER 26 25.867 16.631 8.366 3 H3 SER 26 HT3 SER 26 25.321 15.067 8.712 4 HA SER 26 HA SER 26 24.787 15.713 10.964 5 HB2 SER 26 HB2 SER 26 25.645 18.466 10.034 6 HB3 SER 26 HB1 SER 26 24.872 18.108 11.579 7 HG SER 26 HG SER 26 27.434 17.340 10.668 8 H ASN 27 HN ASN 27 23.961 16.018 7.882 9 HA ASN 27 HA ASN 27 21.612 17.673 8.120 10 HB2 ASN 27 HB2 ASN 27 22.449 15.806 5.892 11 HB3 ASN 27 HB1 ASN 27 21.172 17.016 5.802 12 HD21 ASN 27 HD21 ASN 27 21.724 19.203 5.737 13 HD22 ASN 27 HD22 ASN 27 23.315 19.727 5.314 14 H LYS 28 HN LYS 28 20.676 16.503 9.935 15 HA LYS 28 HA LYS 28 19.647 13.838 9.406 16 HB2 LYS 28 HB2 LYS 28 20.553 14.457 11.639 17 HB3 LYS 28 HB1 LYS 28 19.241 15.614 11.820 18 HG2 LYS 28 HG2 LYS 28 18.634 13.679 13.035 19 HG3 LYS 28 HG1 LYS 28 17.643 13.696 11.575 20 HD2 LYS 28 HD2 LYS 28 19.164 12.093 10.523 21 HD3 LYS 28 HD1 LYS 28 20.162 12.084 11.978 22 HE2 LYS 28 HE2 LYS 28 18.723 10.145 11.969 23 HE3 LYS 28 HE1 LYS 28 18.237 11.240 13.263 24 HZ1 LYS 28 HZ1 LYS 28 16.453 12.056 11.849 25 HZ2 LYS 28 HZ2 LYS 28 16.324 10.384 12.065 26 HZ3 LYS 28 HZ3 LYS 28 16.921 11.005 10.609 27 H GLY 29 HN GLY 29 18.484 17.143 9.672 28 HA2 GLY 29 HA2 GLY 29 15.726 16.617 9.775 29 HA3 GLY 29 HA1 GLY 29 16.457 18.099 9.184 30 H ALA 30 HN ALA 30 17.952 16.571 7.093 31 HA ALA 30 HA ALA 30 16.051 16.854 5.013 32 HB1 ALA 30 HB1 ALA 30 17.801 16.004 3.547 33 HB2 ALA 30 HB2 ALA 30 18.737 15.485 4.947 34 HB3 ALA 30 HB3 ALA 30 18.448 17.201 4.667 35 H ILE 31 HN ILE 31 16.753 14.281 7.138 36 HA ILE 31 HA ILE 31 15.839 12.180 5.376 37 HB ILE 31 HB ILE 31 16.393 12.086 8.342 38 HG12 ILE 31 HG12 ILE 31 18.145 11.244 6.020 39 HG13 ILE 31 HG11 ILE 31 18.361 12.720 6.954 40 HG21 ILE 31 HG21 ILE 31 16.068 9.867 6.325 41 HG22 ILE 31 HG22 ILE 31 14.924 10.291 7.597 42 HG23 ILE 31 HG23 ILE 31 16.516 9.660 8.018 43 HD11 ILE 31 HD11 ILE 31 18.595 9.903 7.981 44 HD12 ILE 31 HD12 ILE 31 18.736 11.358 8.966 45 HD13 ILE 31 HD13 ILE 31 19.914 11.040 7.693 46 H ILE 32 HN ILE 32 14.629 13.824 8.285 47 HA ILE 32 HA ILE 32 12.216 12.397 8.495 48 HB ILE 32 HB ILE 32 12.944 15.172 9.439 49 HG12 ILE 32 HG12 ILE 32 12.830 13.927 11.686 50 HG13 ILE 32 HG11 ILE 32 12.855 12.451 10.731 51 HG21 ILE 32 HG21 ILE 32 10.948 15.019 10.895 52 HG22 ILE 32 HG22 ILE 32 10.461 13.564 10.023 53 HG23 ILE 32 HG23 ILE 32 10.550 15.109 9.179 54 HD11 ILE 32 HD11 ILE 32 14.976 14.585 10.710 55 HD12 ILE 32 HD12 ILE 32 15.008 13.077 9.797 56 HD13 ILE 32 HD13 ILE 32 15.067 13.043 11.559 57 H GLY 33 HN GLY 33 13.114 15.244 6.636 58 HA2 GLY 33 HA2 GLY 33 10.545 16.098 5.892 59 HA3 GLY 33 HA1 GLY 33 12.017 16.398 4.982 60 H LEU 34 HN LEU 34 12.561 13.526 4.632 61 HA LEU 34 HA LEU 34 10.953 13.146 2.269 62 HB2 LEU 34 HB2 LEU 34 13.128 11.463 3.512 63 HB3 LEU 34 HB1 LEU 34 12.348 11.095 1.986 64 HG LEU 34 HG LEU 34 13.935 13.605 2.529 65 HD11 LEU 34 HD11 LEU 34 15.651 12.591 1.115 66 HD12 LEU 34 HD12 LEU 34 14.703 11.106 1.026 67 HD13 LEU 34 HD13 LEU 34 15.369 11.636 2.572 68 HD21 LEU 34 HD21 LEU 34 12.209 13.882 0.825 69 HD22 LEU 34 HD22 LEU 34 12.816 12.464 -0.030 70 HD23 LEU 34 HD23 LEU 34 13.820 13.907 0.108 71 H MET 35 HN MET 35 10.940 12.023 5.529 72 HA MET 35 HA MET 35 9.455 9.627 5.069 73 HB2 MET 35 HB2 MET 35 9.862 11.236 7.594 74 HB3 MET 35 HB1 MET 35 9.129 9.638 7.527 75 HG2 MET 35 HG2 MET 35 11.954 10.339 6.765 76 HG3 MET 35 HG1 MET 35 11.440 9.494 8.221 77 HE1 MET 35 HE1 MET 35 13.220 7.563 7.661 78 HE2 MET 35 HE2 MET 35 13.689 8.435 6.203 79 HE3 MET 35 HE3 MET 35 13.276 6.724 6.113 80 H VAL 36 HN VAL 36 8.643 12.967 5.443 81 HA VAL 36 HA VAL 36 5.969 12.676 6.310 82 HB VAL 36 HB VAL 36 7.131 14.914 4.640 83 HG11 VAL 36 HG11 VAL 36 4.703 14.928 4.664 84 HG12 VAL 36 HG12 VAL 36 5.333 16.265 5.625 85 HG13 VAL 36 HG13 VAL 36 4.700 14.825 6.423 86 HG21 VAL 36 HG21 VAL 36 8.436 14.577 6.665 87 HG22 VAL 36 HG22 VAL 36 6.965 14.617 7.638 88 HG23 VAL 36 HG23 VAL 36 7.495 16.063 6.779 89 H GLY 37 HN GLY 37 7.156 13.519 3.041 90 HA2 GLY 37 HA2 GLY 37 4.614 12.788 1.877 91 HA3 GLY 37 HA1 GLY 37 6.028 13.368 1.013 92 H GLY 38 HN GLY 38 7.301 11.042 2.818 93 HA2 GLY 38 HA2 GLY 38 7.144 9.108 0.637 94 HA3 GLY 38 HA1 GLY 38 8.300 9.092 1.960 95 H VAL 39 HN VAL 39 6.074 9.470 3.932 96 HA VAL 39 HA VAL 39 5.627 6.734 4.496 97 HB VAL 39 HB VAL 39 5.690 8.597 6.199 98 HG11 VAL 39 HG11 VAL 39 4.160 10.109 4.965 99 HG12 VAL 39 HG12 VAL 39 3.702 9.863 6.649 100 HG13 VAL 39 HG13 VAL 39 2.827 9.027 5.364 101 HG21 VAL 39 HG21 VAL 39 3.310 6.743 6.266 102 HG22 VAL 39 HG22 VAL 39 4.020 7.557 7.662 103 HG23 VAL 39 HG23 VAL 39 4.952 6.347 6.778 104 H VAL 40 HN VAL 40 3.801 9.156 2.783 105 HA VAL 40 HA VAL 40 1.276 7.896 2.824 106 HB VAL 40 HB VAL 40 2.423 9.759 0.738 107 HG11 VAL 40 HG11 VAL 40 0.496 8.567 -0.121 108 HG12 VAL 40 HG12 VAL 40 0.065 10.246 0.206 109 HG13 VAL 40 HG13 VAL 40 -0.432 8.975 1.324 110 HG21 VAL 40 HG21 VAL 40 1.224 11.515 1.959 111 HG22 VAL 40 HG22 VAL 40 2.449 10.742 2.964 112 HG23 VAL 40 HG23 VAL 40 0.747 10.336 3.179 113 H ILE 41 HN ILE 41 3.844 7.904 0.355 114 HA ILE 41 HA ILE 41 2.516 6.026 -1.329 115 HB ILE 41 HB ILE 41 5.381 6.975 -1.252 116 HG12 ILE 41 HG12 ILE 41 4.623 7.998 -3.479 117 HG13 ILE 41 HG11 ILE 41 2.984 7.620 -2.966 118 HG21 ILE 41 HG21 ILE 41 5.634 5.903 -3.466 119 HG22 ILE 41 HG22 ILE 41 4.059 5.139 -3.245 120 HG23 ILE 41 HG23 ILE 41 5.395 4.742 -2.161 121 HD11 ILE 41 HD11 ILE 41 3.193 9.072 -1.067 122 HD12 ILE 41 HD12 ILE 41 3.657 9.951 -2.523 123 HD13 ILE 41 HD13 ILE 41 4.897 9.352 -1.421 124 H ALA 42 HN ALA 42 4.815 5.789 1.297 125 HA ALA 42 HA ALA 42 5.631 3.118 0.864 126 HB1 ALA 42 HB1 ALA 42 6.470 3.195 3.147 127 HB2 ALA 42 HB2 ALA 42 5.554 4.670 3.448 128 HB3 ALA 42 HB3 ALA 42 6.875 4.677 2.281 129 H THR 43 HN THR 43 2.800 4.511 2.327 130 HA THR 43 HA THR 43 1.981 2.343 3.920 131 HB THR 43 HB THR 43 0.231 4.364 2.501 132 HG1 THR 43 HG1 THR 43 1.333 4.381 5.134 133 HG21 THR 43 HG21 THR 43 -0.325 2.619 4.905 134 HG22 THR 43 HG22 THR 43 -1.028 2.421 3.301 135 HG23 THR 43 HG23 THR 43 -1.403 3.854 4.257 136 H MET 44 HN MET 44 1.772 2.920 0.489 137 HA MET 44 HA MET 44 -0.087 0.733 0.062 138 HB2 MET 44 HB2 MET 44 -0.197 2.767 -1.333 139 HB3 MET 44 HB1 MET 44 1.421 2.436 -1.936 140 HG2 MET 44 HG2 MET 44 0.617 0.347 -2.926 141 HG3 MET 44 HG1 MET 44 -1.005 0.701 -2.337 142 HE1 MET 44 HE1 MET 44 -0.327 0.042 -5.393 143 HE2 MET 44 HE2 MET 44 -1.332 1.242 -6.206 144 HE3 MET 44 HE3 MET 44 -1.954 0.380 -4.800 145 H ILE 45 HN ILE 45 3.344 1.343 -0.101 146 HA ILE 45 HA ILE 45 4.035 -0.957 -1.635 147 HB ILE 45 HB ILE 45 5.769 0.613 0.280 148 HG12 ILE 45 HG12 ILE 45 5.470 0.921 -2.715 149 HG13 ILE 45 HG11 ILE 45 4.701 1.973 -1.532 150 HG21 ILE 45 HG21 ILE 45 6.491 -1.242 -1.985 151 HG22 ILE 45 HG22 ILE 45 6.707 -1.561 -0.266 152 HG23 ILE 45 HG23 ILE 45 7.631 -0.279 -1.048 153 HD11 ILE 45 HD11 ILE 45 6.900 2.654 -0.716 154 HD12 ILE 45 HD12 ILE 45 6.708 2.987 -2.437 155 HD13 ILE 45 HD13 ILE 45 7.666 1.605 -1.910 156 H VAL 46 HN VAL 46 3.723 -0.315 1.826 157 HA VAL 46 HA VAL 46 4.909 -2.697 2.745 158 HB VAL 46 HB VAL 46 3.636 -2.330 4.840 159 HG11 VAL 46 HG11 VAL 46 4.646 -0.155 5.395 160 HG12 VAL 46 HG12 VAL 46 4.954 0.123 3.681 161 HG13 VAL 46 HG13 VAL 46 5.759 -1.204 4.516 162 HG21 VAL 46 HG21 VAL 46 1.568 -1.478 3.858 163 HG22 VAL 46 HG22 VAL 46 2.410 -0.018 3.338 164 HG23 VAL 46 HG23 VAL 46 2.212 -0.356 5.058 165 H ILE 47 HN ILE 47 1.811 -2.022 1.366 166 HA ILE 47 HA ILE 47 0.482 -4.373 2.319 167 HB ILE 47 HB ILE 47 -0.270 -2.868 -0.178 168 HG12 ILE 47 HG12 ILE 47 0.121 -1.193 1.566 169 HG13 ILE 47 HG11 ILE 47 -1.599 -1.339 1.219 170 HG21 ILE 47 HG21 ILE 47 -1.926 -4.290 1.901 171 HG22 ILE 47 HG22 ILE 47 -1.471 -4.941 0.327 172 HG23 ILE 47 HG23 ILE 47 -2.527 -3.533 0.427 173 HD11 ILE 47 HD11 ILE 47 -1.881 -2.701 3.225 174 HD12 ILE 47 HD12 ILE 47 -1.196 -1.119 3.597 175 HD13 ILE 47 HD13 ILE 47 -0.159 -2.545 3.571 176 H THR 48 HN THR 48 2.741 -3.680 -0.128 177 HA THR 48 HA THR 48 2.071 -5.826 -1.907 178 HB THR 48 HB THR 48 4.654 -4.261 -1.719 179 HG1 THR 48 HG1 THR 48 3.213 -3.426 -3.745 180 HG21 THR 48 HG21 THR 48 4.916 -4.880 -4.077 181 HG22 THR 48 HG22 THR 48 3.436 -5.837 -3.989 182 HG23 THR 48 HG23 THR 48 4.848 -6.306 -3.042 183 H LEU 49 HN LEU 49 4.064 -5.443 0.919 184 HA LEU 49 HA LEU 49 5.647 -7.795 0.466 185 HB2 LEU 49 HB2 LEU 49 5.273 -5.951 2.806 186 HB3 LEU 49 HB1 LEU 49 6.197 -7.434 2.959 187 HG LEU 49 HG LEU 49 7.662 -6.604 1.081 188 HD11 LEU 49 HD11 LEU 49 7.632 -4.202 0.618 189 HD12 LEU 49 HD12 LEU 49 6.179 -4.032 1.602 190 HD13 LEU 49 HD13 LEU 49 6.133 -4.982 0.116 191 HD21 LEU 49 HD21 LEU 49 8.921 -5.077 2.518 192 HD22 LEU 49 HD22 LEU 49 8.354 -6.487 3.412 193 HD23 LEU 49 HD23 LEU 49 7.530 -4.937 3.592 194 H VAL 50 HN VAL 50 2.770 -7.011 2.362 195 HA VAL 50 HA VAL 50 2.633 -9.480 3.736 196 HB VAL 50 HB VAL 50 1.449 -7.533 4.570 197 HG11 VAL 50 HG11 VAL 50 -0.585 -6.722 3.463 198 HG12 VAL 50 HG12 VAL 50 -0.266 -7.810 2.111 199 HG13 VAL 50 HG13 VAL 50 0.855 -6.496 2.466 200 HG21 VAL 50 HG21 VAL 50 -0.436 -9.757 3.788 201 HG22 VAL 50 HG22 VAL 50 -0.709 -8.580 5.073 202 HG23 VAL 50 HG23 VAL 50 0.617 -9.736 5.204 203 H MET 51 HN MET 51 1.262 -8.363 0.675 204 HA MET 51 HA MET 51 -0.452 -10.533 0.210 205 HB2 MET 51 HB2 MET 51 0.984 -8.695 -1.702 206 HB3 MET 51 HB1 MET 51 -0.189 -9.896 -2.222 207 HG2 MET 51 HG2 MET 51 -1.883 -8.813 -0.802 208 HG3 MET 51 HG1 MET 51 -0.703 -7.577 -0.376 209 HE1 MET 51 HE1 MET 51 -2.936 -9.118 -3.186 210 HE2 MET 51 HE2 MET 51 -1.319 -9.352 -3.852 211 HE3 MET 51 HE3 MET 51 -2.426 -8.209 -4.609 212 H LEU 52 HN LEU 52 2.989 -10.111 -0.424 213 HA LEU 52 HA LEU 52 3.193 -12.625 -1.832 214 HB2 LEU 52 HB2 LEU 52 5.099 -10.467 -1.043 215 HB3 LEU 52 HB1 LEU 52 5.740 -12.052 -1.430 216 HG LEU 52 HG LEU 52 5.834 -10.572 -3.365 217 HD11 LEU 52 HD11 LEU 52 5.536 -12.953 -3.757 218 HD12 LEU 52 HD12 LEU 52 4.694 -12.006 -4.983 219 HD13 LEU 52 HD13 LEU 52 3.784 -12.761 -3.675 220 HD21 LEU 52 HD21 LEU 52 4.009 -9.084 -2.898 221 HD22 LEU 52 HD22 LEU 52 2.844 -10.401 -3.031 222 HD23 LEU 52 HD23 LEU 52 3.726 -9.857 -4.458 223 H LYS 53 HN LYS 53 3.625 -11.449 1.417 224 HA LYS 53 HA LYS 53 5.082 -13.740 2.347 225 HB2 LYS 53 HB2 LYS 53 5.237 -11.511 3.430 226 HB3 LYS 53 HB1 LYS 53 3.563 -11.668 3.943 227 HG2 LYS 53 HG2 LYS 53 4.146 -13.616 5.288 228 HG3 LYS 53 HG1 LYS 53 5.826 -13.481 4.761 229 HD2 LYS 53 HD2 LYS 53 5.662 -12.490 6.926 230 HD3 LYS 53 HD1 LYS 53 5.865 -11.186 5.756 231 HE2 LYS 53 HE2 LYS 53 3.460 -10.763 5.803 232 HE3 LYS 53 HE1 LYS 53 3.245 -12.081 6.954 233 HZ1 LYS 53 HZ1 LYS 53 4.842 -9.624 7.440 234 HZ2 LYS 53 HZ2 LYS 53 4.589 -10.878 8.546 235 HZ3 LYS 53 HZ3 LYS 53 3.290 -9.918 8.044 236 H LYS 54 HN LYS 54 1.794 -13.010 1.759 237 HA LYS 54 HA LYS 54 0.798 -15.094 3.535 238 HB2 LYS 54 HB2 LYS 54 -0.458 -12.993 3.364 239 HB3 LYS 54 HB1 LYS 54 -0.664 -13.250 1.637 240 HG2 LYS 54 HG2 LYS 54 -1.955 -15.289 2.117 241 HG3 LYS 54 HG1 LYS 54 -1.790 -14.964 3.842 242 HD2 LYS 54 HD2 LYS 54 -3.874 -14.075 3.366 243 HD3 LYS 54 HD1 LYS 54 -2.826 -12.660 3.252 244 HE2 LYS 54 HE2 LYS 54 -3.738 -14.343 0.920 245 HE3 LYS 54 HE1 LYS 54 -4.459 -12.808 1.402 246 HZ1 LYS 54 HZ1 LYS 54 -1.684 -13.243 0.439 247 HZ2 LYS 54 HZ2 LYS 54 -2.266 -11.769 1.032 248 HZ3 LYS 54 HZ3 LYS 54 -2.927 -12.434 -0.375 249 H LYS 55 HN LYS 55 1.438 -14.505 0.162 250 HA LYS 55 HA LYS 55 -0.009 -16.793 -0.794 251 HB2 LYS 55 HB2 LYS 55 0.337 -14.832 -2.219 252 HB3 LYS 55 HB1 LYS 55 2.077 -15.074 -2.150 253 HG2 LYS 55 HG2 LYS 55 1.831 -17.209 -3.308 254 HG3 LYS 55 HG1 LYS 55 0.083 -16.975 -3.367 255 HD2 LYS 55 HD2 LYS 55 0.411 -14.937 -4.697 256 HD3 LYS 55 HD1 LYS 55 2.156 -15.197 -4.653 257 HE2 LYS 55 HE2 LYS 55 1.878 -17.315 -5.833 258 HE3 LYS 55 HE1 LYS 55 0.129 -17.084 -5.852 259 HZ1 LYS 55 HZ1 LYS 55 0.423 -15.125 -7.215 260 HZ2 LYS 55 HZ2 LYS 55 1.161 -16.456 -7.957 261 HZ3 LYS 55 HZ3 LYS 55 2.105 -15.296 -7.164 Start of MODEL 7 1 H1 SER 26 HT1 SER 26 7.290 26.097 -4.320 2 H2 SER 26 HT2 SER 26 7.022 25.805 -5.964 3 H3 SER 26 HT3 SER 26 5.712 25.918 -4.901 4 HA SER 26 HA SER 26 7.573 28.105 -5.620 5 HB2 SER 26 HB2 SER 26 4.652 27.679 -6.303 6 HB3 SER 26 HB1 SER 26 5.601 29.109 -6.714 7 HG SER 26 HG SER 26 7.009 27.149 -7.623 8 H ASN 27 HN ASN 27 4.915 26.964 -3.629 9 HA ASN 27 HA ASN 27 5.253 29.351 -1.938 10 HB2 ASN 27 HB2 ASN 27 3.127 29.421 -3.275 11 HB3 ASN 27 HB1 ASN 27 2.615 27.960 -2.436 12 HD21 ASN 27 HD21 ASN 27 1.972 28.077 -0.315 13 HD22 ASN 27 HD22 ASN 27 1.686 29.574 0.499 14 H LYS 28 HN LYS 28 4.842 29.031 0.321 15 HA LYS 28 HA LYS 28 5.942 26.701 1.374 16 HB2 LYS 28 HB2 LYS 28 5.148 27.513 3.564 17 HB3 LYS 28 HB1 LYS 28 5.928 28.776 2.622 18 HG2 LYS 28 HG2 LYS 28 3.766 29.697 2.019 19 HG3 LYS 28 HG1 LYS 28 2.950 28.396 2.888 20 HD2 LYS 28 HD2 LYS 28 3.995 29.159 4.978 21 HD3 LYS 28 HD1 LYS 28 4.774 30.476 4.098 22 HE2 LYS 28 HE2 LYS 28 1.799 30.048 4.366 23 HE3 LYS 28 HE1 LYS 28 2.754 31.225 5.266 24 HZ1 LYS 28 HZ1 LYS 28 1.626 32.232 3.376 25 HZ2 LYS 28 HZ2 LYS 28 2.420 31.181 2.314 26 HZ3 LYS 28 HZ3 LYS 28 3.306 32.322 3.193 27 H GLY 29 HN GLY 29 2.527 27.635 1.084 28 HA2 GLY 29 HA2 GLY 29 1.388 25.483 2.437 29 HA3 GLY 29 HA1 GLY 29 0.608 26.380 1.143 30 H ALA 30 HN ALA 30 2.733 25.631 -0.781 31 HA ALA 30 HA ALA 30 1.521 23.260 -1.769 32 HB1 ALA 30 HB1 ALA 30 3.176 23.390 -3.559 33 HB2 ALA 30 HB2 ALA 30 4.067 24.616 -2.657 34 HB3 ALA 30 HB3 ALA 30 2.446 24.966 -3.254 35 H ILE 31 HN ILE 31 4.354 23.921 0.152 36 HA ILE 31 HA ILE 31 5.760 21.525 -0.229 37 HB ILE 31 HB ILE 31 5.654 23.174 2.300 38 HG12 ILE 31 HG12 ILE 31 7.546 23.405 -0.052 39 HG13 ILE 31 HG11 ILE 31 6.201 24.498 0.259 40 HG21 ILE 31 HG21 ILE 31 6.672 20.996 2.634 41 HG22 ILE 31 HG22 ILE 31 7.904 22.255 2.688 42 HG23 ILE 31 HG23 ILE 31 7.731 21.253 1.247 43 HD11 ILE 31 HD11 ILE 31 8.329 25.438 0.983 44 HD12 ILE 31 HD12 ILE 31 8.564 24.070 2.074 45 HD13 ILE 31 HD13 ILE 31 7.233 25.196 2.342 46 H ILE 32 HN ILE 32 3.158 22.370 2.008 47 HA ILE 32 HA ILE 32 3.228 20.018 3.554 48 HB ILE 32 HB ILE 32 0.943 21.904 2.973 49 HG12 ILE 32 HG12 ILE 32 1.419 22.482 5.439 50 HG13 ILE 32 HG11 ILE 32 2.945 21.636 5.210 51 HG21 ILE 32 HG21 ILE 32 -0.183 20.878 4.913 52 HG22 ILE 32 HG22 ILE 32 1.081 19.649 4.972 53 HG23 ILE 32 HG23 ILE 32 0.015 19.753 3.570 54 HD11 ILE 32 HD11 ILE 32 3.158 24.061 4.948 55 HD12 ILE 32 HD12 ILE 32 2.020 24.006 3.602 56 HD13 ILE 32 HD13 ILE 32 3.580 23.191 3.474 57 H GLY 33 HN GLY 33 1.511 20.838 0.573 58 HA2 GLY 33 HA2 GLY 33 -0.104 18.538 0.427 59 HA3 GLY 33 HA1 GLY 33 0.378 19.533 -0.939 60 H LEU 34 HN LEU 34 3.269 18.983 -0.193 61 HA LEU 34 HA LEU 34 3.523 16.607 -1.818 62 HB2 LEU 34 HB2 LEU 34 5.684 18.267 -0.521 63 HB3 LEU 34 HB1 LEU 34 5.908 17.071 -1.783 64 HG LEU 34 HG LEU 34 4.422 19.684 -2.079 65 HD11 LEU 34 HD11 LEU 34 6.856 19.931 -1.865 66 HD12 LEU 34 HD12 LEU 34 6.280 20.354 -3.478 67 HD13 LEU 34 HD13 LEU 34 7.075 18.803 -3.203 68 HD21 LEU 34 HD21 LEU 34 5.081 17.568 -4.126 69 HD22 LEU 34 HD22 LEU 34 4.329 19.129 -4.454 70 HD23 LEU 34 HD23 LEU 34 3.477 17.926 -3.489 71 H MET 35 HN MET 35 3.668 17.434 1.531 72 HA MET 35 HA MET 35 5.187 15.142 2.352 73 HB2 MET 35 HB2 MET 35 3.452 16.997 3.991 74 HB3 MET 35 HB1 MET 35 4.608 15.836 4.630 75 HG2 MET 35 HG2 MET 35 5.270 18.218 2.912 76 HG3 MET 35 HG1 MET 35 5.490 18.107 4.658 77 HE1 MET 35 HE1 MET 35 7.810 18.951 2.631 78 HE2 MET 35 HE2 MET 35 9.168 18.038 3.291 79 HE3 MET 35 HE3 MET 35 8.034 18.843 4.378 80 H VAL 36 HN VAL 36 1.792 15.923 1.989 81 HA VAL 36 HA VAL 36 0.842 13.616 3.407 82 HB VAL 36 HB VAL 36 -0.677 15.332 1.441 83 HG11 VAL 36 HG11 VAL 36 -1.598 13.521 3.668 84 HG12 VAL 36 HG12 VAL 36 -1.798 13.248 1.937 85 HG13 VAL 36 HG13 VAL 36 -2.644 14.582 2.722 86 HG21 VAL 36 HG21 VAL 36 -0.363 15.671 4.422 87 HG22 VAL 36 HG22 VAL 36 -1.440 16.610 3.387 88 HG23 VAL 36 HG23 VAL 36 0.309 16.728 3.178 89 H GLY 37 HN GLY 37 1.735 14.343 0.122 90 HA2 GLY 37 HA2 GLY 37 0.424 12.034 -1.009 91 HA3 GLY 37 HA1 GLY 37 1.529 13.120 -1.838 92 H GLY 38 HN GLY 38 3.095 12.311 0.908 93 HA2 GLY 38 HA2 GLY 38 4.608 10.218 -0.490 94 HA3 GLY 38 HA1 GLY 38 5.204 11.201 0.839 95 H VAL 39 HN VAL 39 2.911 10.835 2.538 96 HA VAL 39 HA VAL 39 3.687 8.461 3.858 97 HB VAL 39 HB VAL 39 2.712 10.387 5.040 98 HG11 VAL 39 HG11 VAL 39 1.036 11.037 3.403 99 HG12 VAL 39 HG12 VAL 39 0.296 10.777 4.984 100 HG13 VAL 39 HG13 VAL 39 0.132 9.556 3.720 101 HG21 VAL 39 HG21 VAL 39 2.683 8.229 6.135 102 HG22 VAL 39 HG22 VAL 39 1.159 7.821 5.350 103 HG23 VAL 39 HG23 VAL 39 1.217 9.123 6.537 104 H VAL 40 HN VAL 40 1.389 9.101 1.372 105 HA VAL 40 HA VAL 40 -0.252 6.793 1.824 106 HB VAL 40 HB VAL 40 -0.003 8.476 -0.673 107 HG11 VAL 40 HG11 VAL 40 -2.209 7.609 -1.230 108 HG12 VAL 40 HG12 VAL 40 -2.209 6.631 0.240 109 HG13 VAL 40 HG13 VAL 40 -1.051 6.293 -1.046 110 HG21 VAL 40 HG21 VAL 40 -0.605 9.839 1.260 111 HG22 VAL 40 HG22 VAL 40 -1.918 8.728 1.644 112 HG23 VAL 40 HG23 VAL 40 -1.970 9.673 0.156 113 H ILE 41 HN ILE 41 2.540 7.559 -0.177 114 HA ILE 41 HA ILE 41 2.456 5.245 -1.801 115 HB ILE 41 HB ILE 41 4.832 6.945 -1.064 116 HG12 ILE 41 HG12 ILE 41 2.771 7.092 -3.262 117 HG13 ILE 41 HG11 ILE 41 3.209 8.337 -2.100 118 HG21 ILE 41 HG21 ILE 41 4.466 5.044 -3.381 119 HG22 ILE 41 HG22 ILE 41 5.420 4.703 -1.938 120 HG23 ILE 41 HG23 ILE 41 5.900 6.006 -3.024 121 HD11 ILE 41 HD11 ILE 41 4.077 8.916 -4.246 122 HD12 ILE 41 HD12 ILE 41 4.862 7.345 -4.399 123 HD13 ILE 41 HD13 ILE 41 5.424 8.495 -3.186 124 H ALA 42 HN ALA 42 4.043 5.978 1.270 125 HA ALA 42 HA ALA 42 5.558 3.605 1.460 126 HB1 ALA 42 HB1 ALA 42 6.010 5.620 2.792 127 HB2 ALA 42 HB2 ALA 42 5.844 4.181 3.798 128 HB3 ALA 42 HB3 ALA 42 4.520 5.342 3.698 129 H THR 43 HN THR 43 2.230 4.338 2.159 130 HA THR 43 HA THR 43 1.771 1.986 3.755 131 HB THR 43 HB THR 43 -0.270 3.795 2.445 132 HG1 THR 43 HG1 THR 43 1.452 4.369 4.360 133 HG21 THR 43 HG21 THR 43 -0.485 1.868 4.765 134 HG22 THR 43 HG22 THR 43 -1.200 1.659 3.165 135 HG23 THR 43 HG23 THR 43 -1.761 2.957 4.218 136 H MET 44 HN MET 44 1.706 2.787 0.391 137 HA MET 44 HA MET 44 0.026 0.586 -0.397 138 HB2 MET 44 HB2 MET 44 0.091 2.617 -1.742 139 HB3 MET 44 HB1 MET 44 1.815 2.404 -2.021 140 HG2 MET 44 HG2 MET 44 1.344 0.317 -3.227 141 HG3 MET 44 HG1 MET 44 -0.383 0.587 -2.984 142 HE1 MET 44 HE1 MET 44 0.178 1.284 -6.825 143 HE2 MET 44 HE2 MET 44 -0.702 0.315 -5.641 144 HE3 MET 44 HE3 MET 44 1.038 0.102 -5.836 145 H ILE 45 HN ILE 45 3.418 1.121 0.106 146 HA ILE 45 HA ILE 45 4.289 -1.172 -1.391 147 HB ILE 45 HB ILE 45 5.778 0.470 0.663 148 HG12 ILE 45 HG12 ILE 45 5.875 0.591 -2.359 149 HG13 ILE 45 HG11 ILE 45 4.987 1.724 -1.348 150 HG21 ILE 45 HG21 ILE 45 7.798 -0.504 -0.341 151 HG22 ILE 45 HG22 ILE 45 6.789 -1.524 -1.365 152 HG23 ILE 45 HG23 ILE 45 6.764 -1.735 0.386 153 HD11 ILE 45 HD11 ILE 45 7.110 2.654 -2.060 154 HD12 ILE 45 HD12 ILE 45 7.965 1.298 -1.323 155 HD13 ILE 45 HD13 ILE 45 7.077 2.436 -0.311 156 H VAL 46 HN VAL 46 3.973 -0.408 2.076 157 HA VAL 46 HA VAL 46 4.903 -2.812 3.114 158 HB VAL 46 HB VAL 46 3.586 -2.311 5.131 159 HG11 VAL 46 HG11 VAL 46 5.721 -1.198 4.806 160 HG12 VAL 46 HG12 VAL 46 4.585 -0.121 5.619 161 HG13 VAL 46 HG13 VAL 46 4.930 0.094 3.904 162 HG21 VAL 46 HG21 VAL 46 2.406 -0.072 3.486 163 HG22 VAL 46 HG22 VAL 46 2.154 -0.333 5.213 164 HG23 VAL 46 HG23 VAL 46 1.548 -1.509 4.046 165 H ILE 47 HN ILE 47 1.836 -2.063 1.638 166 HA ILE 47 HA ILE 47 0.534 -4.454 2.594 167 HB ILE 47 HB ILE 47 -0.313 -2.497 0.452 168 HG12 ILE 47 HG12 ILE 47 -1.288 -2.805 3.301 169 HG13 ILE 47 HG11 ILE 47 -0.133 -1.585 2.776 170 HG21 ILE 47 HG21 ILE 47 -1.886 -4.692 1.797 171 HG22 ILE 47 HG22 ILE 47 -1.329 -4.694 0.125 172 HG23 ILE 47 HG23 ILE 47 -2.528 -3.514 0.652 173 HD11 ILE 47 HD11 ILE 47 -2.362 -0.656 2.967 174 HD12 ILE 47 HD12 ILE 47 -2.976 -1.854 1.827 175 HD13 ILE 47 HD13 ILE 47 -1.821 -0.636 1.288 176 H THR 48 HN THR 48 2.359 -3.477 -0.211 177 HA THR 48 HA THR 48 1.547 -5.627 -1.897 178 HB THR 48 HB THR 48 4.084 -3.987 -2.063 179 HG1 THR 48 HG1 THR 48 2.910 -2.489 -3.073 180 HG21 THR 48 HG21 THR 48 4.037 -4.593 -4.434 181 HG22 THR 48 HG22 THR 48 2.597 -5.570 -4.164 182 HG23 THR 48 HG23 THR 48 4.127 -6.032 -3.419 183 H LEU 49 HN LEU 49 4.002 -5.218 0.550 184 HA LEU 49 HA LEU 49 5.483 -7.568 -0.173 185 HB2 LEU 49 HB2 LEU 49 5.559 -5.622 2.090 186 HB3 LEU 49 HB1 LEU 49 6.378 -7.162 2.268 187 HG LEU 49 HG LEU 49 7.663 -6.637 0.175 188 HD11 LEU 49 HD11 LEU 49 6.482 -3.890 0.562 189 HD12 LEU 49 HD12 LEU 49 6.094 -4.999 -0.754 190 HD13 LEU 49 HD13 LEU 49 7.724 -4.343 -0.606 191 HD21 LEU 49 HD21 LEU 49 7.952 -4.693 2.461 192 HD22 LEU 49 HD22 LEU 49 9.193 -5.088 1.272 193 HD23 LEU 49 HD23 LEU 49 8.623 -6.323 2.396 194 H VAL 50 HN VAL 50 3.152 -6.754 2.388 195 HA VAL 50 HA VAL 50 3.204 -9.236 3.686 196 HB VAL 50 HB VAL 50 2.194 -7.218 4.675 197 HG11 VAL 50 HG11 VAL 50 -0.044 -7.723 2.723 198 HG12 VAL 50 HG12 VAL 50 1.078 -6.364 2.688 199 HG13 VAL 50 HG13 VAL 50 -0.056 -6.535 4.027 200 HG21 VAL 50 HG21 VAL 50 0.260 -8.327 5.704 201 HG22 VAL 50 HG22 VAL 50 1.656 -9.400 5.601 202 HG23 VAL 50 HG23 VAL 50 0.322 -9.575 4.459 203 H MET 51 HN MET 51 1.496 -8.149 0.834 204 HA MET 51 HA MET 51 -0.366 -10.274 0.678 205 HB2 MET 51 HB2 MET 51 0.751 -8.353 -1.349 206 HB3 MET 51 HB1 MET 51 -0.355 -9.634 -1.823 207 HG2 MET 51 HG2 MET 51 -2.067 -8.756 -0.378 208 HG3 MET 51 HG1 MET 51 -0.959 -7.536 0.248 209 HE1 MET 51 HE1 MET 51 -2.839 -8.838 -2.954 210 HE2 MET 51 HE2 MET 51 -1.169 -8.702 -3.507 211 HE3 MET 51 HE3 MET 51 -2.400 -7.609 -4.139 212 H LEU 52 HN LEU 52 3.002 -10.055 -0.031 213 HA LEU 52 HA LEU 52 3.142 -12.209 -1.887 214 HB2 LEU 52 HB2 LEU 52 5.258 -11.014 -0.095 215 HB3 LEU 52 HB1 LEU 52 5.573 -12.190 -1.356 216 HG LEU 52 HG LEU 52 4.466 -9.412 -1.792 217 HD11 LEU 52 HD11 LEU 52 6.637 -8.935 -2.797 218 HD12 LEU 52 HD12 LEU 52 7.194 -10.555 -2.382 219 HD13 LEU 52 HD13 LEU 52 6.811 -9.402 -1.105 220 HD21 LEU 52 HD21 LEU 52 3.644 -10.992 -3.454 221 HD22 LEU 52 HD22 LEU 52 5.291 -11.538 -3.768 222 HD23 LEU 52 HD23 LEU 52 4.818 -9.888 -4.170 223 H LYS 53 HN LYS 53 3.406 -11.957 1.620 224 HA LYS 53 HA LYS 53 4.310 -14.555 2.158 225 HB2 LYS 53 HB2 LYS 53 2.614 -12.646 3.768 226 HB3 LYS 53 HB1 LYS 53 3.128 -14.206 4.393 227 HG2 LYS 53 HG2 LYS 53 4.656 -12.628 5.232 228 HG3 LYS 53 HG1 LYS 53 5.499 -13.473 3.933 229 HD2 LYS 53 HD2 LYS 53 5.048 -11.629 2.414 230 HD3 LYS 53 HD1 LYS 53 4.136 -10.794 3.672 231 HE2 LYS 53 HE2 LYS 53 6.380 -9.875 3.477 232 HE3 LYS 53 HE1 LYS 53 6.156 -10.654 5.042 233 HZ1 LYS 53 HZ1 LYS 53 7.319 -12.600 4.191 234 HZ2 LYS 53 HZ2 LYS 53 8.292 -11.221 4.084 235 HZ3 LYS 53 HZ3 LYS 53 7.544 -11.836 2.697 236 H LYS 54 HN LYS 54 1.129 -13.279 1.464 237 HA LYS 54 HA LYS 54 -0.236 -15.740 2.097 238 HB2 LYS 54 HB2 LYS 54 -1.147 -13.193 0.751 239 HB3 LYS 54 HB1 LYS 54 -2.208 -14.555 1.080 240 HG2 LYS 54 HG2 LYS 54 -0.686 -13.039 3.190 241 HG3 LYS 54 HG1 LYS 54 -2.365 -12.730 2.746 242 HD2 LYS 54 HD2 LYS 54 -2.969 -15.002 3.390 243 HD3 LYS 54 HD1 LYS 54 -1.285 -15.345 3.793 244 HE2 LYS 54 HE2 LYS 54 -3.017 -13.260 5.119 245 HE3 LYS 54 HE1 LYS 54 -2.636 -14.847 5.786 246 HZ1 LYS 54 HZ1 LYS 54 -0.295 -14.232 5.804 247 HZ2 LYS 54 HZ2 LYS 54 -1.211 -13.146 6.721 248 HZ3 LYS 54 HZ3 LYS 54 -0.670 -12.703 5.181 249 H LYS 55 HN LYS 55 0.615 -13.949 -0.840 250 HA LYS 55 HA LYS 55 0.680 -14.527 -3.036 251 HB2 LYS 55 HB2 LYS 55 2.516 -15.929 -2.038 252 HB3 LYS 55 HB1 LYS 55 1.381 -17.270 -1.987 253 HG2 LYS 55 HG2 LYS 55 1.183 -17.263 -4.383 254 HG3 LYS 55 HG1 LYS 55 2.181 -15.810 -4.496 255 HD2 LYS 55 HD2 LYS 55 4.059 -17.078 -3.491 256 HD3 LYS 55 HD1 LYS 55 3.052 -18.528 -3.512 257 HE2 LYS 55 HE2 LYS 55 4.535 -18.508 -5.431 258 HE3 LYS 55 HE1 LYS 55 2.861 -18.339 -5.952 259 HZ1 LYS 55 HZ1 LYS 55 3.191 -15.985 -6.234 260 HZ2 LYS 55 HZ2 LYS 55 4.370 -16.820 -7.116 261 HZ3 LYS 55 HZ3 LYS 55 4.774 -16.088 -5.644 Start of MODEL 8 1 H1 SER 26 HT1 SER 26 9.177 32.003 3.369 2 H2 SER 26 HT2 SER 26 9.537 33.181 2.212 3 H3 SER 26 HT3 SER 26 8.714 31.776 1.758 4 HA SER 26 HA SER 26 7.677 33.833 3.615 5 HB2 SER 26 HB2 SER 26 6.125 34.408 1.773 6 HB3 SER 26 HB1 SER 26 7.807 34.696 1.330 7 HG SER 26 HG SER 26 7.506 33.381 -0.265 8 H ASN 27 HN ASN 27 6.675 31.201 1.425 9 HA ASN 27 HA ASN 27 4.704 30.387 3.455 10 HB2 ASN 27 HB2 ASN 27 3.684 31.108 1.343 11 HB3 ASN 27 HB1 ASN 27 4.660 29.938 0.462 12 HD21 ASN 27 HD21 ASN 27 3.225 29.299 3.581 13 HD22 ASN 27 HD22 ASN 27 2.071 28.138 3.026 14 H LYS 28 HN LYS 28 6.015 29.001 4.623 15 HA LYS 28 HA LYS 28 7.466 26.891 3.264 16 HB2 LYS 28 HB2 LYS 28 7.085 27.206 6.239 17 HB3 LYS 28 HB1 LYS 28 8.357 26.328 5.402 18 HG2 LYS 28 HG2 LYS 28 7.984 29.316 5.376 19 HG3 LYS 28 HG1 LYS 28 9.165 28.432 6.341 20 HD2 LYS 28 HD2 LYS 28 10.227 27.609 4.299 21 HD3 LYS 28 HD1 LYS 28 9.028 28.463 3.324 22 HE2 LYS 28 HE2 LYS 28 9.801 30.594 4.305 23 HE3 LYS 28 HE1 LYS 28 11.047 29.710 5.187 24 HZ1 LYS 28 HZ1 LYS 28 10.788 29.857 2.230 25 HZ2 LYS 28 HZ2 LYS 28 11.975 28.993 3.070 26 HZ3 LYS 28 HZ3 LYS 28 11.932 30.679 3.167 27 H GLY 29 HN GLY 29 4.347 27.370 4.475 28 HA2 GLY 29 HA2 GLY 29 3.777 24.724 5.375 29 HA3 GLY 29 HA1 GLY 29 2.597 25.961 4.973 30 H ALA 30 HN ALA 30 4.315 25.950 2.292 31 HA ALA 30 HA ALA 30 2.442 24.263 0.892 32 HB1 ALA 30 HB1 ALA 30 4.767 25.875 -0.157 33 HB2 ALA 30 HB2 ALA 30 3.094 26.424 -0.038 34 HB3 ALA 30 HB3 ALA 30 3.514 25.108 -1.133 35 H ILE 31 HN ILE 31 5.723 24.055 2.001 36 HA ILE 31 HA ILE 31 6.416 21.828 0.301 37 HB ILE 31 HB ILE 31 7.869 22.882 2.729 38 HG12 ILE 31 HG12 ILE 31 7.637 24.616 1.016 39 HG13 ILE 31 HG11 ILE 31 9.305 24.071 1.124 40 HG21 ILE 31 HG21 ILE 31 8.504 20.605 2.150 41 HG22 ILE 31 HG22 ILE 31 9.814 21.729 1.791 42 HG23 ILE 31 HG23 ILE 31 8.808 21.100 0.485 43 HD11 ILE 31 HD11 ILE 31 8.614 24.400 -1.184 44 HD12 ILE 31 HD12 ILE 31 7.315 23.228 -0.972 45 HD13 ILE 31 HD13 ILE 31 8.998 22.709 -0.870 46 H ILE 32 HN ILE 32 5.241 22.334 3.559 47 HA ILE 32 HA ILE 32 5.773 19.835 4.674 48 HB ILE 32 HB ILE 32 3.380 21.599 5.203 49 HG12 ILE 32 HG12 ILE 32 5.500 22.795 5.503 50 HG13 ILE 32 HG11 ILE 32 4.719 22.510 7.055 51 HG21 ILE 32 HG21 ILE 32 3.048 19.361 6.069 52 HG22 ILE 32 HG22 ILE 32 3.325 20.488 7.395 53 HG23 ILE 32 HG23 ILE 32 4.619 19.412 6.869 54 HD11 ILE 32 HD11 ILE 32 7.116 22.145 7.185 55 HD12 ILE 32 HD12 ILE 32 7.011 20.924 5.917 56 HD13 ILE 32 HD13 ILE 32 6.234 20.645 7.474 57 H GLY 33 HN GLY 33 2.970 20.936 2.791 58 HA2 GLY 33 HA2 GLY 33 1.428 18.606 3.001 59 HA3 GLY 33 HA1 GLY 33 1.337 19.765 1.681 60 H LEU 34 HN LEU 34 4.098 19.398 0.864 61 HA LEU 34 HA LEU 34 3.716 17.188 -0.895 62 HB2 LEU 34 HB2 LEU 34 6.191 18.835 -0.370 63 HB3 LEU 34 HB1 LEU 34 5.976 17.724 -1.709 64 HG LEU 34 HG LEU 34 4.343 20.226 -1.257 65 HD11 LEU 34 HD11 LEU 34 5.560 21.105 -3.192 66 HD12 LEU 34 HD12 LEU 34 6.557 19.652 -3.222 67 HD13 LEU 34 HD13 LEU 34 6.644 20.751 -1.847 68 HD21 LEU 34 HD21 LEU 34 3.507 19.801 -3.521 69 HD22 LEU 34 HD22 LEU 34 3.087 18.491 -2.416 70 HD23 LEU 34 HD23 LEU 34 4.410 18.287 -3.567 71 H MET 35 HN MET 35 5.405 17.672 2.116 72 HA MET 35 HA MET 35 6.973 15.283 1.960 73 HB2 MET 35 HB2 MET 35 6.247 17.003 4.338 74 HB3 MET 35 HB1 MET 35 7.446 15.715 4.350 75 HG2 MET 35 HG2 MET 35 7.565 18.242 2.720 76 HG3 MET 35 HG1 MET 35 8.506 17.884 4.165 77 HE1 MET 35 HE1 MET 35 11.205 17.775 1.327 78 HE2 MET 35 HE2 MET 35 10.692 18.543 2.830 79 HE3 MET 35 HE3 MET 35 9.788 18.826 1.344 80 H VAL 36 HN VAL 36 3.781 16.097 3.072 81 HA VAL 36 HA VAL 36 3.392 13.659 4.561 82 HB VAL 36 HB VAL 36 1.344 15.672 3.604 83 HG11 VAL 36 HG11 VAL 36 -0.070 14.716 5.387 84 HG12 VAL 36 HG12 VAL 36 1.156 13.479 5.667 85 HG13 VAL 36 HG13 VAL 36 0.309 13.550 4.120 86 HG21 VAL 36 HG21 VAL 36 3.031 16.672 5.072 87 HG22 VAL 36 HG22 VAL 36 2.708 15.433 6.285 88 HG23 VAL 36 HG23 VAL 36 1.453 16.594 5.854 89 H GLY 37 HN GLY 37 3.018 14.714 1.288 90 HA2 GLY 37 HA2 GLY 37 1.152 12.689 0.492 91 HA3 GLY 37 HA1 GLY 37 2.106 13.705 -0.578 92 H GLY 38 HN GLY 38 4.298 12.454 1.468 93 HA2 GLY 38 HA2 GLY 38 5.072 10.406 -0.464 94 HA3 GLY 38 HA1 GLY 38 6.081 11.065 0.815 95 H VAL 39 HN VAL 39 4.361 10.683 3.000 96 HA VAL 39 HA VAL 39 4.948 8.024 3.686 97 HB VAL 39 HB VAL 39 4.617 9.829 5.350 98 HG11 VAL 39 HG11 VAL 39 2.298 10.383 6.035 99 HG12 VAL 39 HG12 VAL 39 1.713 9.532 4.606 100 HG13 VAL 39 HG13 VAL 39 2.721 10.966 4.426 101 HG21 VAL 39 HG21 VAL 39 2.837 7.417 5.697 102 HG22 VAL 39 HG22 VAL 39 3.402 8.463 7.001 103 HG23 VAL 39 HG23 VAL 39 4.558 7.511 6.071 104 H VAL 40 HN VAL 40 2.163 9.479 2.188 105 HA VAL 40 HA VAL 40 0.332 7.360 2.643 106 HB VAL 40 HB VAL 40 0.312 9.322 0.343 107 HG11 VAL 40 HG11 VAL 40 -2.108 8.941 0.370 108 HG12 VAL 40 HG12 VAL 40 -1.904 7.752 1.658 109 HG13 VAL 40 HG13 VAL 40 -1.217 7.452 0.062 110 HG21 VAL 40 HG21 VAL 40 -1.135 10.711 1.769 111 HG22 VAL 40 HG22 VAL 40 0.489 10.536 2.436 112 HG23 VAL 40 HG23 VAL 40 -0.848 9.607 3.114 113 H ILE 41 HN ILE 41 2.862 7.922 0.327 114 HA ILE 41 HA ILE 41 2.008 5.933 -1.551 115 HB ILE 41 HB ILE 41 4.745 7.168 -1.222 116 HG12 ILE 41 HG12 ILE 41 3.010 8.874 -1.588 117 HG13 ILE 41 HG11 ILE 41 4.070 8.730 -2.986 118 HG21 ILE 41 HG21 ILE 41 4.816 5.135 -2.527 119 HG22 ILE 41 HG22 ILE 41 5.044 6.527 -3.584 120 HG23 ILE 41 HG23 ILE 41 3.487 5.702 -3.536 121 HD11 ILE 41 HD11 ILE 41 1.303 7.573 -2.725 122 HD12 ILE 41 HD12 ILE 41 2.365 7.386 -4.120 123 HD13 ILE 41 HD13 ILE 41 1.768 8.983 -3.676 124 H ALA 42 HN ALA 42 4.305 6.070 1.125 125 HA ALA 42 HA ALA 42 5.478 3.537 0.720 126 HB1 ALA 42 HB1 ALA 42 6.310 3.755 2.997 127 HB2 ALA 42 HB2 ALA 42 5.188 5.082 3.294 128 HB3 ALA 42 HB3 ALA 42 6.493 5.274 2.121 129 H THR 43 HN THR 43 2.518 4.553 2.240 130 HA THR 43 HA THR 43 1.993 2.287 3.812 131 HB THR 43 HB THR 43 -0.027 4.063 2.426 132 HG1 THR 43 HG1 THR 43 0.547 4.440 5.109 133 HG21 THR 43 HG21 THR 43 -1.001 1.997 3.307 134 HG22 THR 43 HG22 THR 43 -1.520 3.391 4.254 135 HG23 THR 43 HG23 THR 43 -0.270 2.316 4.880 136 H MET 44 HN MET 44 1.760 2.850 0.401 137 HA MET 44 HA MET 44 0.111 0.517 -0.083 138 HB2 MET 44 HB2 MET 44 -0.181 2.497 -1.483 139 HB3 MET 44 HB1 MET 44 1.498 2.408 -1.993 140 HG2 MET 44 HG2 MET 44 1.092 0.340 -3.146 141 HG3 MET 44 HG1 MET 44 -0.559 0.280 -2.533 142 HE1 MET 44 HE1 MET 44 0.936 3.468 -5.520 143 HE2 MET 44 HE2 MET 44 1.960 2.190 -4.869 144 HE3 MET 44 HE3 MET 44 1.368 3.470 -3.811 145 H ILE 45 HN ILE 45 3.446 1.281 0.161 146 HA ILE 45 HA ILE 45 4.400 -0.890 -1.470 147 HB ILE 45 HB ILE 45 6.084 0.419 0.629 148 HG12 ILE 45 HG12 ILE 45 4.908 2.280 -0.422 149 HG13 ILE 45 HG11 ILE 45 6.592 2.260 -0.927 150 HG21 ILE 45 HG21 ILE 45 6.633 -0.569 -2.164 151 HG22 ILE 45 HG22 ILE 45 7.059 -1.381 -0.658 152 HG23 ILE 45 HG23 ILE 45 7.828 0.148 -1.084 153 HD11 ILE 45 HD11 ILE 45 4.264 1.256 -2.546 154 HD12 ILE 45 HD12 ILE 45 5.951 1.282 -3.056 155 HD13 ILE 45 HD13 ILE 45 5.096 2.795 -2.762 156 H VAL 46 HN VAL 46 3.995 -0.270 1.987 157 HA VAL 46 HA VAL 46 5.209 -2.619 2.930 158 HB VAL 46 HB VAL 46 4.056 -2.211 5.034 159 HG11 VAL 46 HG11 VAL 46 6.009 -0.866 4.566 160 HG12 VAL 46 HG12 VAL 46 4.820 0.106 5.432 161 HG13 VAL 46 HG13 VAL 46 5.028 0.311 3.692 162 HG21 VAL 46 HG21 VAL 46 1.849 -1.648 4.177 163 HG22 VAL 46 HG22 VAL 46 2.476 -0.143 3.505 164 HG23 VAL 46 HG23 VAL 46 2.435 -0.378 5.251 165 H ILE 47 HN ILE 47 1.990 -1.990 1.708 166 HA ILE 47 HA ILE 47 0.841 -4.430 2.671 167 HB ILE 47 HB ILE 47 -0.126 -2.637 0.436 168 HG12 ILE 47 HG12 ILE 47 -0.980 -2.684 3.338 169 HG13 ILE 47 HG11 ILE 47 0.149 -1.514 2.663 170 HG21 ILE 47 HG21 ILE 47 -1.537 -4.770 2.039 171 HG22 ILE 47 HG22 ILE 47 -1.148 -4.821 0.319 172 HG23 ILE 47 HG23 ILE 47 -2.328 -3.657 0.922 173 HD11 ILE 47 HD11 ILE 47 -2.730 -1.874 1.865 174 HD12 ILE 47 HD12 ILE 47 -1.604 -0.725 1.143 175 HD13 ILE 47 HD13 ILE 47 -2.065 -0.564 2.838 176 H THR 48 HN THR 48 2.809 -3.562 0.001 177 HA THR 48 HA THR 48 2.030 -5.589 -1.821 178 HB THR 48 HB THR 48 4.730 -4.241 -1.605 179 HG1 THR 48 HG1 THR 48 3.875 -2.622 -2.793 180 HG21 THR 48 HG21 THR 48 4.730 -6.226 -3.042 181 HG22 THR 48 HG22 THR 48 4.905 -4.753 -3.997 182 HG23 THR 48 HG23 THR 48 3.350 -5.584 -3.935 183 H LEU 49 HN LEU 49 3.945 -5.610 1.043 184 HA LEU 49 HA LEU 49 5.468 -7.954 0.420 185 HB2 LEU 49 HB2 LEU 49 4.970 -6.395 2.938 186 HB3 LEU 49 HB1 LEU 49 5.821 -7.924 2.980 187 HG LEU 49 HG LEU 49 7.400 -6.086 2.968 188 HD11 LEU 49 HD11 LEU 49 8.762 -6.734 1.051 189 HD12 LEU 49 HD12 LEU 49 7.369 -7.539 0.327 190 HD13 LEU 49 HD13 LEU 49 8.051 -8.141 1.838 191 HD21 LEU 49 HD21 LEU 49 7.578 -4.557 1.082 192 HD22 LEU 49 HD22 LEU 49 6.002 -4.416 1.860 193 HD23 LEU 49 HD23 LEU 49 6.158 -5.294 0.338 194 H VAL 50 HN VAL 50 2.752 -7.349 2.657 195 HA VAL 50 HA VAL 50 2.358 -9.973 3.474 196 HB VAL 50 HB VAL 50 1.271 -8.053 4.548 197 HG11 VAL 50 HG11 VAL 50 -0.779 -7.112 3.546 198 HG12 VAL 50 HG12 VAL 50 -0.447 -8.023 2.073 199 HG13 VAL 50 HG13 VAL 50 0.669 -6.766 2.604 200 HG21 VAL 50 HG21 VAL 50 0.397 -10.284 4.965 201 HG22 VAL 50 HG22 VAL 50 -0.655 -10.153 3.556 202 HG23 VAL 50 HG23 VAL 50 -0.913 -9.104 4.948 203 H MET 51 HN MET 51 1.438 -8.401 0.509 204 HA MET 51 HA MET 51 -0.443 -10.407 -0.305 205 HB2 MET 51 HB2 MET 51 0.983 -8.255 -1.879 206 HB3 MET 51 HB1 MET 51 -0.286 -9.285 -2.526 207 HG2 MET 51 HG2 MET 51 -0.611 -7.409 -0.197 208 HG3 MET 51 HG1 MET 51 -1.086 -7.056 -1.856 209 HE1 MET 51 HE1 MET 51 -4.556 -7.533 -0.150 210 HE2 MET 51 HE2 MET 51 -3.525 -6.471 -1.110 211 HE3 MET 51 HE3 MET 51 -3.131 -6.794 0.579 212 H LEU 52 HN LEU 52 2.977 -9.772 -0.858 213 HA LEU 52 HA LEU 52 3.476 -11.583 -2.907 214 HB2 LEU 52 HB2 LEU 52 4.996 -9.998 -1.096 215 HB3 LEU 52 HB1 LEU 52 5.679 -11.612 -1.103 216 HG LEU 52 HG LEU 52 6.799 -10.166 -2.717 217 HD11 LEU 52 HD11 LEU 52 6.676 -12.541 -3.203 218 HD12 LEU 52 HD12 LEU 52 6.592 -11.600 -4.692 219 HD13 LEU 52 HD13 LEU 52 5.126 -12.310 -4.015 220 HD21 LEU 52 HD21 LEU 52 4.106 -9.960 -4.056 221 HD22 LEU 52 HD22 LEU 52 5.628 -9.329 -4.684 222 HD23 LEU 52 HD23 LEU 52 4.938 -8.659 -3.205 223 H LYS 53 HN LYS 53 3.529 -12.098 0.606 224 HA LYS 53 HA LYS 53 4.373 -14.763 0.585 225 HB2 LYS 53 HB2 LYS 53 2.763 -13.133 2.528 226 HB3 LYS 53 HB1 LYS 53 3.049 -14.843 2.816 227 HG2 LYS 53 HG2 LYS 53 4.676 -13.565 4.020 228 HG3 LYS 53 HG1 LYS 53 5.484 -14.414 2.704 229 HD2 LYS 53 HD2 LYS 53 5.481 -12.374 1.370 230 HD3 LYS 53 HD1 LYS 53 4.626 -11.522 2.656 231 HE2 LYS 53 HE2 LYS 53 7.365 -12.762 2.891 232 HE3 LYS 53 HE1 LYS 53 7.036 -11.043 2.669 233 HZ1 LYS 53 HZ1 LYS 53 5.874 -11.022 4.781 234 HZ2 LYS 53 HZ2 LYS 53 7.456 -11.586 4.990 235 HZ3 LYS 53 HZ3 LYS 53 6.162 -12.676 4.992 236 H LYS 54 HN LYS 54 1.104 -13.393 0.442 237 HA LYS 54 HA LYS 54 -0.284 -15.844 0.537 238 HB2 LYS 54 HB2 LYS 54 -1.077 -13.184 -0.658 239 HB3 LYS 54 HB1 LYS 54 -2.176 -14.545 -0.455 240 HG2 LYS 54 HG2 LYS 54 -1.825 -14.460 1.965 241 HG3 LYS 54 HG1 LYS 54 -0.739 -13.086 1.754 242 HD2 LYS 54 HD2 LYS 54 -2.918 -12.279 2.399 243 HD3 LYS 54 HD1 LYS 54 -2.605 -11.824 0.724 244 HE2 LYS 54 HE2 LYS 54 -4.898 -12.647 1.056 245 HE3 LYS 54 HE1 LYS 54 -3.983 -13.658 -0.063 246 HZ1 LYS 54 HZ1 LYS 54 -5.273 -14.968 1.520 247 HZ2 LYS 54 HZ2 LYS 54 -4.438 -14.263 2.809 248 HZ3 LYS 54 HZ3 LYS 54 -3.614 -15.243 1.706 249 H LYS 55 HN LYS 55 1.368 -14.199 -2.025 250 HA LYS 55 HA LYS 55 0.095 -15.633 -4.161 251 HB2 LYS 55 HB2 LYS 55 2.608 -13.960 -4.083 252 HB3 LYS 55 HB1 LYS 55 1.927 -14.649 -5.549 253 HG2 LYS 55 HG2 LYS 55 0.442 -12.753 -3.748 254 HG3 LYS 55 HG1 LYS 55 1.371 -12.250 -5.161 255 HD2 LYS 55 HD2 LYS 55 -0.047 -13.630 -6.593 256 HD3 LYS 55 HD1 LYS 55 -0.958 -14.171 -5.181 257 HE2 LYS 55 HE2 LYS 55 -1.680 -11.879 -4.760 258 HE3 LYS 55 HE1 LYS 55 -0.746 -11.319 -6.148 259 HZ1 LYS 55 HZ1 LYS 55 -3.026 -13.221 -6.261 260 HZ2 LYS 55 HZ2 LYS 55 -2.142 -12.655 -7.587 261 HZ3 LYS 55 HZ3 LYS 55 -3.090 -11.583 -6.685 Start of MODEL 9 1 H1 SER 26 HT1 SER 26 21.259 23.873 -0.731 2 H2 SER 26 HT2 SER 26 22.897 23.549 -0.467 3 H3 SER 26 HT3 SER 26 21.722 22.467 0.087 4 HA SER 26 HA SER 26 22.281 23.098 -2.751 5 HB2 SER 26 HB2 SER 26 22.893 20.611 -1.133 6 HB3 SER 26 HB1 SER 26 23.163 20.796 -2.866 7 HG SER 26 HG SER 26 24.931 21.853 -2.455 8 H ASN 27 HN ASN 27 20.832 20.570 -0.688 9 HA ASN 27 HA ASN 27 18.263 20.848 -1.919 10 HB2 ASN 27 HB2 ASN 27 18.211 18.535 -2.876 11 HB3 ASN 27 HB1 ASN 27 19.282 19.639 -3.731 12 HD21 ASN 27 HD21 ASN 27 20.505 17.977 -4.584 13 HD22 ASN 27 HD22 ASN 27 21.598 17.044 -3.626 14 H LYS 28 HN LYS 28 19.786 20.544 0.710 15 HA LYS 28 HA LYS 28 18.875 18.145 1.927 16 HB2 LYS 28 HB2 LYS 28 20.794 19.443 2.772 17 HB3 LYS 28 HB1 LYS 28 19.706 20.750 3.217 18 HG2 LYS 28 HG2 LYS 28 18.582 19.280 4.808 19 HG3 LYS 28 HG1 LYS 28 19.670 17.964 4.358 20 HD2 LYS 28 HD2 LYS 28 21.584 19.326 5.107 21 HD3 LYS 28 HD1 LYS 28 20.462 20.590 5.617 22 HE2 LYS 28 HE2 LYS 28 19.425 19.035 7.192 23 HE3 LYS 28 HE1 LYS 28 20.534 17.767 6.675 24 HZ1 LYS 28 HZ1 LYS 28 21.322 20.324 7.965 25 HZ2 LYS 28 HZ2 LYS 28 22.379 19.095 7.486 26 HZ3 LYS 28 HZ3 LYS 28 21.264 18.815 8.728 27 H GLY 29 HN GLY 29 17.656 21.478 1.907 28 HA2 GLY 29 HA2 GLY 29 15.463 20.933 3.653 29 HA3 GLY 29 HA1 GLY 29 15.671 22.370 2.663 30 H ALA 30 HN ALA 30 15.997 20.315 0.342 31 HA ALA 30 HA ALA 30 13.262 20.482 -0.506 32 HB1 ALA 30 HB1 ALA 30 14.051 19.460 -2.573 33 HB2 ALA 30 HB2 ALA 30 15.605 19.110 -1.818 34 HB3 ALA 30 HB3 ALA 30 15.111 20.781 -2.080 35 H ILE 31 HN ILE 31 15.437 17.903 0.535 36 HA ILE 31 HA ILE 31 13.746 15.729 -0.042 37 HB ILE 31 HB ILE 31 15.791 15.877 2.175 38 HG12 ILE 31 HG12 ILE 31 16.214 14.989 -0.683 39 HG13 ILE 31 HG11 ILE 31 16.651 16.583 -0.082 40 HG21 ILE 31 HG21 ILE 31 14.688 13.537 0.624 41 HG22 ILE 31 HG22 ILE 31 14.332 13.933 2.305 42 HG23 ILE 31 HG23 ILE 31 15.963 13.456 1.838 43 HD11 ILE 31 HD11 ILE 31 17.763 13.958 0.880 44 HD12 ILE 31 HD12 ILE 31 18.194 15.549 1.508 45 HD13 ILE 31 HD13 ILE 31 18.580 15.126 -0.160 46 H ILE 32 HN ILE 32 13.741 18.054 2.511 47 HA ILE 32 HA ILE 32 12.467 16.712 4.574 48 HB ILE 32 HB ILE 32 11.987 19.577 3.744 49 HG12 ILE 32 HG12 ILE 32 14.376 19.101 4.034 50 HG13 ILE 32 HG11 ILE 32 13.780 20.143 5.322 51 HG21 ILE 32 HG21 ILE 32 10.332 18.822 5.332 52 HG22 ILE 32 HG22 ILE 32 11.458 19.922 6.129 53 HG23 ILE 32 HG23 ILE 32 11.593 18.183 6.387 54 HD11 ILE 32 HD11 ILE 32 14.289 17.184 5.531 55 HD12 ILE 32 HD12 ILE 32 13.673 18.214 6.822 56 HD13 ILE 32 HD13 ILE 32 15.300 18.470 6.189 57 H GLY 33 HN GLY 33 11.118 18.076 1.623 58 HA2 GLY 33 HA2 GLY 33 8.385 17.683 2.437 59 HA3 GLY 33 HA1 GLY 33 8.940 18.148 0.836 60 H LEU 34 HN LEU 34 10.803 15.716 0.986 61 HA LEU 34 HA LEU 34 8.947 13.899 -0.269 62 HB2 LEU 34 HB2 LEU 34 11.922 13.885 0.150 63 HB3 LEU 34 HB1 LEU 34 11.084 12.476 -0.472 64 HG LEU 34 HG LEU 34 10.220 13.908 -2.344 65 HD11 LEU 34 HD11 LEU 34 11.396 16.012 -2.793 66 HD12 LEU 34 HD12 LEU 34 12.213 15.880 -1.237 67 HD13 LEU 34 HD13 LEU 34 10.463 16.085 -1.298 68 HD21 LEU 34 HD21 LEU 34 12.107 12.411 -2.662 69 HD22 LEU 34 HD22 LEU 34 13.213 13.651 -2.069 70 HD23 LEU 34 HD23 LEU 34 12.336 13.898 -3.581 71 H MET 35 HN MET 35 10.374 14.293 2.832 72 HA MET 35 HA MET 35 10.134 11.565 3.673 73 HB2 MET 35 HB2 MET 35 10.419 14.092 5.307 74 HB3 MET 35 HB1 MET 35 10.574 12.457 5.931 75 HG2 MET 35 HG2 MET 35 12.359 13.799 3.916 76 HG3 MET 35 HG1 MET 35 12.753 13.405 5.588 77 HE1 MET 35 HE1 MET 35 13.032 10.915 6.494 78 HE2 MET 35 HE2 MET 35 12.803 9.483 5.492 79 HE3 MET 35 HE3 MET 35 11.428 10.515 5.881 80 H VAL 36 HN VAL 36 8.129 14.449 3.876 81 HA VAL 36 HA VAL 36 6.168 13.227 5.568 82 HB VAL 36 HB VAL 36 6.448 15.611 5.699 83 HG11 VAL 36 HG11 VAL 36 5.950 17.065 3.846 84 HG12 VAL 36 HG12 VAL 36 5.532 15.675 2.843 85 HG13 VAL 36 HG13 VAL 36 7.191 15.899 3.388 86 HG21 VAL 36 HG21 VAL 36 4.210 14.716 6.150 87 HG22 VAL 36 HG22 VAL 36 3.786 14.915 4.451 88 HG23 VAL 36 HG23 VAL 36 4.128 16.330 5.448 89 H GLY 37 HN GLY 37 6.459 13.924 2.122 90 HA2 GLY 37 HA2 GLY 37 3.844 12.845 1.527 91 HA3 GLY 37 HA1 GLY 37 5.040 13.395 0.362 92 H GLY 38 HN GLY 38 6.724 11.423 2.315 93 HA2 GLY 38 HA2 GLY 38 6.566 9.237 0.407 94 HA3 GLY 38 HA1 GLY 38 7.765 9.428 1.676 95 H VAL 39 HN VAL 39 5.563 9.910 3.671 96 HA VAL 39 HA VAL 39 5.331 7.265 4.606 97 HB VAL 39 HB VAL 39 5.193 9.298 6.053 98 HG11 VAL 39 HG11 VAL 39 3.164 10.542 6.245 99 HG12 VAL 39 HG12 VAL 39 2.340 9.481 5.104 100 HG13 VAL 39 HG13 VAL 39 3.632 10.541 4.546 101 HG21 VAL 39 HG21 VAL 39 2.908 7.341 6.269 102 HG22 VAL 39 HG22 VAL 39 3.484 8.385 7.569 103 HG23 VAL 39 HG23 VAL 39 4.534 7.130 6.915 104 H VAL 40 HN VAL 40 3.314 9.218 2.547 105 HA VAL 40 HA VAL 40 1.014 7.501 2.715 106 HB VAL 40 HB VAL 40 1.681 9.683 0.728 107 HG11 VAL 40 HG11 VAL 40 -0.918 8.239 1.250 108 HG12 VAL 40 HG12 VAL 40 0.066 8.137 -0.210 109 HG13 VAL 40 HG13 VAL 40 -0.728 9.653 0.212 110 HG21 VAL 40 HG21 VAL 40 0.120 11.043 2.042 111 HG22 VAL 40 HG22 VAL 40 1.499 10.516 3.007 112 HG23 VAL 40 HG23 VAL 40 -0.063 9.717 3.191 113 H ILE 41 HN ILE 41 3.768 7.890 0.574 114 HA ILE 41 HA ILE 41 2.796 6.120 -1.451 115 HB ILE 41 HB ILE 41 5.645 6.975 -0.921 116 HG12 ILE 41 HG12 ILE 41 4.196 8.925 -1.216 117 HG13 ILE 41 HG11 ILE 41 5.246 8.719 -2.613 118 HG21 ILE 41 HG21 ILE 41 5.502 5.042 -2.377 119 HG22 ILE 41 HG22 ILE 41 5.983 6.465 -3.303 120 HG23 ILE 41 HG23 ILE 41 4.326 5.871 -3.398 121 HD11 ILE 41 HD11 ILE 41 3.402 7.738 -3.862 122 HD12 ILE 41 HD12 ILE 41 2.987 9.344 -3.263 123 HD13 ILE 41 HD13 ILE 41 2.350 7.908 -2.458 124 H ALA 42 HN ALA 42 4.678 5.779 1.471 125 HA ALA 42 HA ALA 42 5.608 3.127 0.889 126 HB1 ALA 42 HB1 ALA 42 6.856 4.632 2.368 127 HB2 ALA 42 HB2 ALA 42 6.431 3.124 3.177 128 HB3 ALA 42 HB3 ALA 42 5.523 4.597 3.523 129 H THR 43 HN THR 43 2.773 4.510 2.330 130 HA THR 43 HA THR 43 1.896 2.362 3.895 131 HB THR 43 HB THR 43 0.205 4.356 2.373 132 HG1 THR 43 HG1 THR 43 0.183 5.192 4.705 133 HG21 THR 43 HG21 THR 43 -1.109 2.438 3.107 134 HG22 THR 43 HG22 THR 43 -1.507 3.859 4.073 135 HG23 THR 43 HG23 THR 43 -0.465 2.603 4.739 136 H MET 44 HN MET 44 1.700 2.940 0.442 137 HA MET 44 HA MET 44 -0.050 0.667 0.012 138 HB2 MET 44 HB2 MET 44 -0.227 2.731 -1.366 139 HB3 MET 44 HB1 MET 44 1.373 2.400 -2.017 140 HG2 MET 44 HG2 MET 44 0.542 0.292 -2.953 141 HG3 MET 44 HG1 MET 44 -1.062 0.653 -2.320 142 HE1 MET 44 HE1 MET 44 1.046 3.073 -5.639 143 HE2 MET 44 HE2 MET 44 1.714 1.617 -4.899 144 HE3 MET 44 HE3 MET 44 1.572 3.099 -3.955 145 H ILE 45 HN ILE 45 3.332 1.371 0.020 146 HA ILE 45 HA ILE 45 4.133 -0.862 -1.593 147 HB ILE 45 HB ILE 45 5.745 0.853 0.301 148 HG12 ILE 45 HG12 ILE 45 5.577 0.916 -2.720 149 HG13 ILE 45 HG11 ILE 45 4.710 2.018 -1.656 150 HG21 ILE 45 HG21 ILE 45 6.833 -1.283 -0.008 151 HG22 ILE 45 HG22 ILE 45 7.707 -0.042 -0.906 152 HG23 ILE 45 HG23 ILE 45 6.642 -1.161 -1.758 153 HD11 ILE 45 HD11 ILE 45 6.823 2.882 -0.817 154 HD12 ILE 45 HD12 ILE 45 6.723 3.035 -2.570 155 HD13 ILE 45 HD13 ILE 45 7.701 1.756 -1.851 156 H VAL 46 HN VAL 46 3.729 -0.266 1.855 157 HA VAL 46 HA VAL 46 5.024 -2.622 2.747 158 HB VAL 46 HB VAL 46 3.828 -2.258 4.880 159 HG11 VAL 46 HG11 VAL 46 5.066 0.205 3.660 160 HG12 VAL 46 HG12 VAL 46 5.917 -1.102 4.480 161 HG13 VAL 46 HG13 VAL 46 4.818 -0.060 5.385 162 HG21 VAL 46 HG21 VAL 46 1.709 -1.448 3.984 163 HG22 VAL 46 HG22 VAL 46 2.504 0.017 3.407 164 HG23 VAL 46 HG23 VAL 46 2.384 -0.296 5.138 165 H ILE 47 HN ILE 47 1.880 -1.996 1.454 166 HA ILE 47 HA ILE 47 0.577 -4.305 2.502 167 HB ILE 47 HB ILE 47 -0.119 -2.689 0.041 168 HG12 ILE 47 HG12 ILE 47 -1.230 -2.480 2.848 169 HG13 ILE 47 HG11 ILE 47 -0.016 -1.394 2.183 170 HG21 ILE 47 HG21 ILE 47 -1.786 -4.603 1.674 171 HG22 ILE 47 HG22 ILE 47 -1.171 -4.888 0.046 172 HG23 ILE 47 HG23 ILE 47 -2.366 -3.621 0.328 173 HD11 ILE 47 HD11 ILE 47 -1.605 -0.685 0.466 174 HD12 ILE 47 HD12 ILE 47 -2.215 -0.394 2.093 175 HD13 ILE 47 HD13 ILE 47 -2.821 -1.760 1.157 176 H THR 48 HN THR 48 2.467 -3.632 -0.389 177 HA THR 48 HA THR 48 1.822 -5.999 -1.795 178 HB THR 48 HB THR 48 3.758 -5.565 -3.175 179 HG1 THR 48 HG1 THR 48 5.189 -3.805 -2.526 180 HG21 THR 48 HG21 THR 48 2.455 -2.973 -2.330 181 HG22 THR 48 HG22 THR 48 1.825 -4.109 -3.524 182 HG23 THR 48 HG23 THR 48 3.328 -3.241 -3.838 183 H LEU 49 HN LEU 49 3.847 -5.353 0.902 184 HA LEU 49 HA LEU 49 5.653 -7.521 0.655 185 HB2 LEU 49 HB2 LEU 49 4.723 -6.111 3.159 186 HB3 LEU 49 HB1 LEU 49 6.143 -7.126 3.018 187 HG LEU 49 HG LEU 49 5.744 -4.511 1.561 188 HD11 LEU 49 HD11 LEU 49 7.414 -5.172 3.981 189 HD12 LEU 49 HD12 LEU 49 5.974 -4.155 3.951 190 HD13 LEU 49 HD13 LEU 49 7.435 -3.642 3.107 191 HD21 LEU 49 HD21 LEU 49 7.180 -6.060 0.349 192 HD22 LEU 49 HD22 LEU 49 8.151 -6.312 1.798 193 HD23 LEU 49 HD23 LEU 49 8.122 -4.730 1.020 194 H VAL 50 HN VAL 50 2.587 -7.139 2.416 195 HA VAL 50 HA VAL 50 2.634 -9.778 3.492 196 HB VAL 50 HB VAL 50 1.368 -7.866 4.498 197 HG11 VAL 50 HG11 VAL 50 -0.943 -7.506 3.600 198 HG12 VAL 50 HG12 VAL 50 -0.437 -8.374 2.150 199 HG13 VAL 50 HG13 VAL 50 0.362 -6.869 2.601 200 HG21 VAL 50 HG21 VAL 50 -0.198 -10.373 3.895 201 HG22 VAL 50 HG22 VAL 50 -0.546 -9.237 5.199 202 HG23 VAL 50 HG23 VAL 50 0.960 -10.153 5.208 203 H MET 51 HN MET 51 1.499 -8.382 0.518 204 HA MET 51 HA MET 51 -0.239 -10.541 -0.193 205 HB2 MET 51 HB2 MET 51 1.029 -8.377 -1.877 206 HB3 MET 51 HB1 MET 51 -0.191 -9.502 -2.457 207 HG2 MET 51 HG2 MET 51 -0.549 -7.490 -0.247 208 HG3 MET 51 HG1 MET 51 -1.164 -7.350 -1.893 209 HE1 MET 51 HE1 MET 51 -2.976 -7.005 0.684 210 HE2 MET 51 HE2 MET 51 -4.406 -7.936 0.242 211 HE3 MET 51 HE3 MET 51 -3.626 -6.899 -0.951 212 H LEU 52 HN LEU 52 3.021 -9.571 -1.242 213 HA LEU 52 HA LEU 52 3.447 -11.774 -2.948 214 HB2 LEU 52 HB2 LEU 52 5.431 -10.032 -1.486 215 HB3 LEU 52 HB1 LEU 52 5.851 -11.169 -2.754 216 HG LEU 52 HG LEU 52 4.008 -8.811 -3.144 217 HD11 LEU 52 HD11 LEU 52 6.244 -8.030 -2.622 218 HD12 LEU 52 HD12 LEU 52 5.893 -7.782 -4.331 219 HD13 LEU 52 HD13 LEU 52 6.928 -9.117 -3.827 220 HD21 LEU 52 HD21 LEU 52 3.612 -10.639 -4.700 221 HD22 LEU 52 HD22 LEU 52 5.329 -10.686 -5.101 222 HD23 LEU 52 HD23 LEU 52 4.363 -9.272 -5.524 223 H LYS 53 HN LYS 53 3.794 -11.351 0.489 224 HA LYS 53 HA LYS 53 5.431 -13.638 0.946 225 HB2 LYS 53 HB2 LYS 53 5.290 -11.771 2.542 226 HB3 LYS 53 HB1 LYS 53 3.602 -12.158 2.847 227 HG2 LYS 53 HG2 LYS 53 4.235 -14.304 3.782 228 HG3 LYS 53 HG1 LYS 53 5.932 -13.976 3.421 229 HD2 LYS 53 HD2 LYS 53 5.895 -12.064 4.933 230 HD3 LYS 53 HD1 LYS 53 4.187 -12.354 5.273 231 HE2 LYS 53 HE2 LYS 53 5.619 -13.235 7.051 232 HE3 LYS 53 HE1 LYS 53 4.733 -14.523 6.235 233 HZ1 LYS 53 HZ1 LYS 53 7.041 -15.128 6.614 234 HZ2 LYS 53 HZ2 LYS 53 7.564 -13.789 5.721 235 HZ3 LYS 53 HZ3 LYS 53 6.712 -15.034 4.955 236 H LYS 54 HN LYS 54 2.002 -13.095 0.640 237 HA LYS 54 HA LYS 54 1.287 -15.688 1.691 238 HB2 LYS 54 HB2 LYS 54 -0.298 -13.495 0.358 239 HB3 LYS 54 HB1 LYS 54 -1.014 -15.032 0.825 240 HG2 LYS 54 HG2 LYS 54 -0.417 -14.615 3.151 241 HG3 LYS 54 HG1 LYS 54 0.323 -13.081 2.690 242 HD2 LYS 54 HD2 LYS 54 -1.840 -12.267 1.902 243 HD3 LYS 54 HD1 LYS 54 -2.584 -13.810 2.328 244 HE2 LYS 54 HE2 LYS 54 -1.272 -11.887 4.245 245 HE3 LYS 54 HE1 LYS 54 -3.006 -12.113 4.034 246 HZ1 LYS 54 HZ1 LYS 54 -2.184 -13.329 5.949 247 HZ2 LYS 54 HZ2 LYS 54 -1.094 -14.182 4.976 248 HZ3 LYS 54 HZ3 LYS 54 -2.759 -14.403 4.773 249 H LYS 55 HN LYS 55 2.039 -14.292 -1.384 250 HA LYS 55 HA LYS 55 1.012 -16.621 -2.820 251 HB2 LYS 55 HB2 LYS 55 2.117 -13.970 -3.734 252 HB3 LYS 55 HB1 LYS 55 1.808 -15.294 -4.849 253 HG2 LYS 55 HG2 LYS 55 -0.545 -15.279 -4.249 254 HG3 LYS 55 HG1 LYS 55 -0.251 -13.993 -3.077 255 HD2 LYS 55 HD2 LYS 55 0.377 -12.467 -4.824 256 HD3 LYS 55 HD1 LYS 55 0.306 -13.753 -6.032 257 HE2 LYS 55 HE2 LYS 55 -2.031 -12.721 -4.426 258 HE3 LYS 55 HE1 LYS 55 -1.675 -12.300 -6.100 259 HZ1 LYS 55 HZ1 LYS 55 -2.258 -15.040 -5.115 260 HZ2 LYS 55 HZ2 LYS 55 -1.969 -14.603 -6.722 261 HZ3 LYS 55 HZ3 LYS 55 -3.353 -14.042 -5.930 Start of MODEL 10 1 H1 SER 26 HT1 SER 26 5.862 31.163 -9.033 2 H2 SER 26 HT2 SER 26 6.247 30.086 -10.279 3 H3 SER 26 HT3 SER 26 7.331 31.315 -9.859 4 HA SER 26 HA SER 26 8.051 29.169 -9.017 5 HB2 SER 26 HB2 SER 26 8.683 31.194 -7.796 6 HB3 SER 26 HB1 SER 26 7.171 31.141 -6.891 7 HG SER 26 HG SER 26 8.496 28.789 -6.723 8 H ASN 27 HN ASN 27 5.166 30.268 -7.227 9 HA ASN 27 HA ASN 27 3.522 29.129 -6.139 10 HB2 ASN 27 HB2 ASN 27 3.262 28.378 -8.604 11 HB3 ASN 27 HB1 ASN 27 3.959 26.854 -8.063 12 HD21 ASN 27 HD21 ASN 27 2.696 27.085 -5.410 13 HD22 ASN 27 HD22 ASN 27 1.034 26.694 -5.654 14 H LYS 28 HN LYS 28 4.728 28.839 -4.228 15 HA LYS 28 HA LYS 28 6.391 26.542 -3.840 16 HB2 LYS 28 HB2 LYS 28 6.485 27.276 -1.496 17 HB3 LYS 28 HB1 LYS 28 6.809 28.603 -2.603 18 HG2 LYS 28 HG2 LYS 28 4.573 29.461 -2.289 19 HG3 LYS 28 HG1 LYS 28 4.159 28.082 -1.268 20 HD2 LYS 28 HD2 LYS 28 4.642 29.952 0.155 21 HD3 LYS 28 HD1 LYS 28 5.961 28.789 0.302 22 HE2 LYS 28 HE2 LYS 28 6.817 31.067 0.155 23 HE3 LYS 28 HE1 LYS 28 7.307 30.118 -1.248 24 HZ1 LYS 28 HZ1 LYS 28 5.524 31.145 -2.517 25 HZ2 LYS 28 HZ2 LYS 28 6.566 32.320 -1.889 26 HZ3 LYS 28 HZ3 LYS 28 5.059 32.058 -1.168 27 H GLY 29 HN GLY 29 3.030 27.170 -3.622 28 HA2 GLY 29 HA2 GLY 29 2.354 25.197 -1.679 29 HA3 GLY 29 HA1 GLY 29 1.251 25.953 -2.818 30 H ALA 30 HN ALA 30 3.436 24.909 -4.864 31 HA ALA 30 HA ALA 30 1.945 22.519 -5.509 32 HB1 ALA 30 HB1 ALA 30 2.618 24.080 -7.271 33 HB2 ALA 30 HB2 ALA 30 3.287 22.471 -7.540 34 HB3 ALA 30 HB3 ALA 30 4.314 23.757 -6.907 35 H ILE 31 HN ILE 31 5.223 23.330 -4.465 36 HA ILE 31 HA ILE 31 6.306 20.733 -4.670 37 HB ILE 31 HB ILE 31 7.158 22.918 -2.766 38 HG12 ILE 31 HG12 ILE 31 8.152 22.356 -5.569 39 HG13 ILE 31 HG11 ILE 31 7.024 23.645 -5.158 40 HG21 ILE 31 HG21 ILE 31 8.105 20.726 -2.253 41 HG22 ILE 31 HG22 ILE 31 9.343 21.827 -2.859 42 HG23 ILE 31 HG23 ILE 31 8.681 20.580 -3.914 43 HD11 ILE 31 HD11 ILE 31 9.851 23.381 -4.165 44 HD12 ILE 31 HD12 ILE 31 8.724 24.664 -3.728 45 HD13 ILE 31 HD13 ILE 31 9.273 24.504 -5.396 46 H ILE 32 HN ILE 32 4.432 22.333 -2.190 47 HA ILE 32 HA ILE 32 4.977 20.503 -0.088 48 HB ILE 32 HB ILE 32 2.471 22.154 -0.391 49 HG12 ILE 32 HG12 ILE 32 4.407 23.605 -0.736 50 HG13 ILE 32 HG11 ILE 32 3.659 23.942 0.820 51 HG21 ILE 32 HG21 ILE 32 2.411 20.512 1.400 52 HG22 ILE 32 HG22 ILE 32 2.494 22.145 2.060 53 HG23 ILE 32 HG23 ILE 32 3.936 21.129 2.038 54 HD11 ILE 32 HD11 ILE 32 6.155 22.318 0.369 55 HD12 ILE 32 HD12 ILE 32 5.401 22.636 1.933 56 HD13 ILE 32 HD13 ILE 32 6.074 23.967 0.990 57 H GLY 33 HN GLY 33 2.838 20.449 -2.815 58 HA2 GLY 33 HA2 GLY 33 0.974 18.547 -1.821 59 HA3 GLY 33 HA1 GLY 33 1.238 18.950 -3.510 60 H LEU 34 HN LEU 34 3.951 18.227 -3.719 61 HA LEU 34 HA LEU 34 3.718 15.474 -4.247 62 HB2 LEU 34 HB2 LEU 34 6.071 17.337 -4.106 63 HB3 LEU 34 HB1 LEU 34 6.276 15.629 -4.444 64 HG LEU 34 HG LEU 34 4.733 15.926 -6.412 65 HD11 LEU 34 HD11 LEU 34 3.611 17.956 -5.726 66 HD12 LEU 34 HD12 LEU 34 4.437 18.210 -7.261 67 HD13 LEU 34 HD13 LEU 34 5.136 18.841 -5.771 68 HD21 LEU 34 HD21 LEU 34 7.151 15.805 -6.672 69 HD22 LEU 34 HD22 LEU 34 7.277 17.541 -6.391 70 HD23 LEU 34 HD23 LEU 34 6.449 16.939 -7.826 71 H MET 35 HN MET 35 4.615 17.196 -1.397 72 HA MET 35 HA MET 35 6.064 15.070 -0.149 73 HB2 MET 35 HB2 MET 35 4.724 17.479 1.097 74 HB3 MET 35 HB1 MET 35 5.897 16.430 1.885 75 HG2 MET 35 HG2 MET 35 6.396 18.198 -0.499 76 HG3 MET 35 HG1 MET 35 6.941 18.481 1.154 77 HE1 MET 35 HE1 MET 35 8.827 18.542 -1.410 78 HE2 MET 35 HE2 MET 35 10.239 17.654 -0.840 79 HE3 MET 35 HE3 MET 35 9.450 18.823 0.217 80 H VAL 36 HN VAL 36 2.719 16.060 -0.300 81 HA VAL 36 HA VAL 36 1.888 14.238 1.792 82 HB VAL 36 HB VAL 36 0.179 15.813 -0.141 83 HG11 VAL 36 HG11 VAL 36 -1.009 13.958 0.882 84 HG12 VAL 36 HG12 VAL 36 -1.588 15.492 1.532 85 HG13 VAL 36 HG13 VAL 36 -0.495 14.487 2.483 86 HG21 VAL 36 HG21 VAL 36 1.604 17.298 1.159 87 HG22 VAL 36 HG22 VAL 36 1.077 16.519 2.652 88 HG23 VAL 36 HG23 VAL 36 -0.075 17.433 1.680 89 H GLY 37 HN GLY 37 2.078 14.298 -1.695 90 HA2 GLY 37 HA2 GLY 37 0.408 11.968 -2.045 91 HA3 GLY 37 HA1 GLY 37 1.343 12.780 -3.292 92 H GLY 38 HN GLY 38 3.555 12.407 -0.998 93 HA2 GLY 38 HA2 GLY 38 4.612 9.994 -2.246 94 HA3 GLY 38 HA1 GLY 38 5.488 11.088 -1.185 95 H VAL 39 HN VAL 39 3.458 11.071 0.896 96 HA VAL 39 HA VAL 39 4.379 8.827 2.363 97 HB VAL 39 HB VAL 39 3.714 10.961 3.425 98 HG11 VAL 39 HG11 VAL 39 1.769 11.503 2.104 99 HG12 VAL 39 HG12 VAL 39 1.322 11.415 3.806 100 HG13 VAL 39 HG13 VAL 39 0.918 10.087 2.719 101 HG21 VAL 39 HG21 VAL 39 2.185 8.544 4.386 102 HG22 VAL 39 HG22 VAL 39 2.554 9.973 5.349 103 HG23 VAL 39 HG23 VAL 39 3.860 8.941 4.770 104 H VAL 40 HN VAL 40 1.648 9.366 0.304 105 HA VAL 40 HA VAL 40 -0.061 7.344 1.283 106 HB VAL 40 HB VAL 40 0.128 8.385 -1.550 107 HG11 VAL 40 HG11 VAL 40 -1.160 6.342 -1.416 108 HG12 VAL 40 HG12 VAL 40 -2.241 7.709 -1.678 109 HG13 VAL 40 HG13 VAL 40 -2.103 6.991 -0.075 110 HG21 VAL 40 HG21 VAL 40 -1.529 9.375 0.770 111 HG22 VAL 40 HG22 VAL 40 -1.645 9.949 -0.894 112 HG23 VAL 40 HG23 VAL 40 -0.166 10.214 0.030 113 H ILE 41 HN ILE 41 2.445 7.345 -1.225 114 HA ILE 41 HA ILE 41 2.036 4.697 -2.106 115 HB ILE 41 HB ILE 41 4.361 6.589 -2.292 116 HG12 ILE 41 HG12 ILE 41 3.865 6.315 -4.741 117 HG13 ILE 41 HG11 ILE 41 2.482 5.322 -4.296 118 HG21 ILE 41 HG21 ILE 41 5.424 4.450 -2.057 119 HG22 ILE 41 HG22 ILE 41 5.496 4.932 -3.752 120 HG23 ILE 41 HG23 ILE 41 4.322 3.724 -3.228 121 HD11 ILE 41 HD11 ILE 41 2.890 8.208 -3.550 122 HD12 ILE 41 HD12 ILE 41 1.496 7.215 -3.125 123 HD13 ILE 41 HD13 ILE 41 1.821 7.602 -4.815 124 H ALA 42 HN ALA 42 4.065 6.064 0.442 125 HA ALA 42 HA ALA 42 5.573 3.795 1.057 126 HB1 ALA 42 HB1 ALA 42 5.980 4.835 3.217 127 HB2 ALA 42 HB2 ALA 42 4.639 5.948 2.949 128 HB3 ALA 42 HB3 ALA 42 6.071 6.031 1.925 129 H THR 43 HN THR 43 2.270 4.589 1.801 130 HA THR 43 HA THR 43 2.004 2.551 3.837 131 HB THR 43 HB THR 43 -0.196 4.089 2.443 132 HG1 THR 43 HG1 THR 43 -0.016 5.319 4.531 133 HG21 THR 43 HG21 THR 43 -0.123 2.648 5.097 134 HG22 THR 43 HG22 THR 43 -0.964 2.104 3.645 135 HG23 THR 43 HG23 THR 43 -1.486 3.575 4.466 136 H MET 44 HN MET 44 1.774 2.749 0.425 137 HA MET 44 HA MET 44 0.062 0.425 0.146 138 HB2 MET 44 HB2 MET 44 0.376 2.557 -1.432 139 HB3 MET 44 HB1 MET 44 1.591 1.520 -2.162 140 HG2 MET 44 HG2 MET 44 -1.304 0.794 -1.779 141 HG3 MET 44 HG1 MET 44 -0.591 1.381 -3.279 142 HE1 MET 44 HE1 MET 44 -1.327 -2.425 -3.980 143 HE2 MET 44 HE2 MET 44 -1.614 -0.772 -4.522 144 HE3 MET 44 HE3 MET 44 -2.282 -1.324 -2.987 145 H ILE 45 HN ILE 45 3.472 1.260 -0.215 146 HA ILE 45 HA ILE 45 4.407 -1.086 -1.393 147 HB ILE 45 HB ILE 45 5.831 0.686 0.600 148 HG12 ILE 45 HG12 ILE 45 5.968 0.698 -2.423 149 HG13 ILE 45 HG11 ILE 45 4.950 1.789 -1.488 150 HG21 ILE 45 HG21 ILE 45 6.944 -1.318 -1.362 151 HG22 ILE 45 HG22 ILE 45 6.922 -1.481 0.393 152 HG23 ILE 45 HG23 ILE 45 7.893 -0.220 -0.362 153 HD11 ILE 45 HD11 ILE 45 6.945 2.704 -0.406 154 HD12 ILE 45 HD12 ILE 45 6.999 2.882 -2.159 155 HD13 ILE 45 HD13 ILE 45 7.953 1.626 -1.371 156 H VAL 46 HN VAL 46 4.113 -0.277 2.061 157 HA VAL 46 HA VAL 46 5.180 -2.611 3.124 158 HB VAL 46 HB VAL 46 3.961 -2.110 5.165 159 HG11 VAL 46 HG11 VAL 46 4.751 0.174 5.533 160 HG12 VAL 46 HG12 VAL 46 4.936 0.392 3.792 161 HG13 VAL 46 HG13 VAL 46 5.938 -0.781 4.647 162 HG21 VAL 46 HG21 VAL 46 2.436 -0.117 3.492 163 HG22 VAL 46 HG22 VAL 46 2.337 -0.262 5.247 164 HG23 VAL 46 HG23 VAL 46 1.786 -1.585 4.218 165 H ILE 47 HN ILE 47 2.073 -2.036 1.675 166 HA ILE 47 HA ILE 47 0.866 -4.440 2.715 167 HB ILE 47 HB ILE 47 -0.083 -2.647 0.475 168 HG12 ILE 47 HG12 ILE 47 -0.918 -2.677 3.384 169 HG13 ILE 47 HG11 ILE 47 0.191 -1.504 2.685 170 HG21 ILE 47 HG21 ILE 47 -1.083 -4.868 0.409 171 HG22 ILE 47 HG22 ILE 47 -2.273 -3.659 0.892 172 HG23 ILE 47 HG23 ILE 47 -1.552 -4.719 2.103 173 HD11 ILE 47 HD11 ILE 47 -2.690 -1.895 1.912 174 HD12 ILE 47 HD12 ILE 47 -1.580 -0.728 1.193 175 HD13 ILE 47 HD13 ILE 47 -2.037 -0.581 2.891 176 H THR 48 HN THR 48 2.641 -3.489 -0.123 177 HA THR 48 HA THR 48 1.881 -5.556 -1.864 178 HB THR 48 HB THR 48 4.562 -4.164 -1.748 179 HG1 THR 48 HG1 THR 48 3.528 -2.792 -3.355 180 HG21 THR 48 HG21 THR 48 3.141 -5.570 -4.014 181 HG22 THR 48 HG22 THR 48 4.575 -6.151 -3.167 182 HG23 THR 48 HG23 THR 48 4.663 -4.688 -4.147 183 H LEU 49 HN LEU 49 4.020 -5.529 0.868 184 HA LEU 49 HA LEU 49 5.479 -7.886 0.157 185 HB2 LEU 49 HB2 LEU 49 5.181 -6.298 2.686 186 HB3 LEU 49 HB1 LEU 49 6.033 -7.829 2.681 187 HG LEU 49 HG LEU 49 7.563 -6.891 0.927 188 HD11 LEU 49 HD11 LEU 49 7.632 -4.466 0.644 189 HD12 LEU 49 HD12 LEU 49 6.177 -4.307 1.627 190 HD13 LEU 49 HD13 LEU 49 6.104 -5.136 0.074 191 HD21 LEU 49 HD21 LEU 49 8.211 -6.983 3.272 192 HD22 LEU 49 HD22 LEU 49 7.436 -5.424 3.559 193 HD23 LEU 49 HD23 LEU 49 8.846 -5.528 2.504 194 H VAL 50 HN VAL 50 2.893 -7.255 2.534 195 HA VAL 50 HA VAL 50 2.610 -9.921 3.372 196 HB VAL 50 HB VAL 50 1.722 -7.994 4.628 197 HG11 VAL 50 HG11 VAL 50 0.837 -6.674 2.821 198 HG12 VAL 50 HG12 VAL 50 -0.459 -7.046 3.957 199 HG13 VAL 50 HG13 VAL 50 -0.342 -7.927 2.435 200 HG21 VAL 50 HG21 VAL 50 -0.379 -9.054 5.331 201 HG22 VAL 50 HG22 VAL 50 0.918 -10.231 5.136 202 HG23 VAL 50 HG23 VAL 50 -0.331 -10.084 3.901 203 H MET 51 HN MET 51 1.408 -8.265 0.567 204 HA MET 51 HA MET 51 -0.698 -10.103 -0.020 205 HB2 MET 51 HB2 MET 51 0.725 -8.031 -1.684 206 HB3 MET 51 HB1 MET 51 -0.575 -9.032 -2.318 207 HG2 MET 51 HG2 MET 51 -0.793 -7.154 0.023 208 HG3 MET 51 HG1 MET 51 -1.365 -6.833 -1.612 209 HE1 MET 51 HE1 MET 51 -3.238 -6.520 0.913 210 HE2 MET 51 HE2 MET 51 -4.712 -7.301 0.340 211 HE3 MET 51 HE3 MET 51 -3.787 -6.261 -0.742 212 H LEU 52 HN LEU 52 2.703 -9.886 -0.867 213 HA LEU 52 HA LEU 52 2.603 -11.925 -2.867 214 HB2 LEU 52 HB2 LEU 52 4.915 -10.741 -1.335 215 HB3 LEU 52 HB1 LEU 52 5.095 -11.890 -2.644 216 HG LEU 52 HG LEU 52 3.837 -9.159 -2.918 217 HD11 LEU 52 HD11 LEU 52 6.214 -8.987 -2.437 218 HD12 LEU 52 HD12 LEU 52 5.883 -8.562 -4.117 219 HD13 LEU 52 HD13 LEU 52 6.572 -10.138 -3.726 220 HD21 LEU 52 HD21 LEU 52 4.617 -11.209 -4.990 221 HD22 LEU 52 HD22 LEU 52 3.996 -9.592 -5.319 222 HD23 LEU 52 HD23 LEU 52 2.971 -10.783 -4.520 223 H LYS 53 HN LYS 53 3.041 -11.864 0.588 224 HA LYS 53 HA LYS 53 4.101 -14.519 0.789 225 HB2 LYS 53 HB2 LYS 53 4.530 -12.801 2.506 226 HB3 LYS 53 HB1 LYS 53 2.819 -12.784 2.908 227 HG2 LYS 53 HG2 LYS 53 2.962 -15.126 3.605 228 HG3 LYS 53 HG1 LYS 53 4.681 -15.131 3.214 229 HD2 LYS 53 HD2 LYS 53 5.052 -13.364 4.879 230 HD3 LYS 53 HD1 LYS 53 3.334 -13.390 5.279 231 HE2 LYS 53 HE2 LYS 53 3.544 -15.742 5.961 232 HE3 LYS 53 HE1 LYS 53 5.269 -15.685 5.590 233 HZ1 LYS 53 HZ1 LYS 53 3.881 -14.045 7.642 234 HZ2 LYS 53 HZ2 LYS 53 5.532 -13.977 7.283 235 HZ3 LYS 53 HZ3 LYS 53 4.869 -15.384 7.949 236 H LYS 54 HN LYS 54 0.912 -13.063 0.911 237 HA LYS 54 HA LYS 54 -0.384 -15.489 1.780 238 HB2 LYS 54 HB2 LYS 54 -1.230 -13.195 2.321 239 HB3 LYS 54 HB1 LYS 54 -1.637 -12.993 0.622 240 HG2 LYS 54 HG2 LYS 54 -3.188 -14.874 0.766 241 HG3 LYS 54 HG1 LYS 54 -2.775 -15.082 2.470 242 HD2 LYS 54 HD2 LYS 54 -4.826 -13.861 2.364 243 HD3 LYS 54 HD1 LYS 54 -3.561 -12.735 2.857 244 HE2 LYS 54 HE2 LYS 54 -5.032 -11.727 1.194 245 HE3 LYS 54 HE1 LYS 54 -3.393 -11.907 0.566 246 HZ1 LYS 54 HZ1 LYS 54 -5.051 -12.564 -1.065 247 HZ2 LYS 54 HZ2 LYS 54 -5.672 -13.727 -0.006 248 HZ3 LYS 54 HZ3 LYS 54 -4.103 -13.892 -0.615 249 H LYS 55 HN LYS 55 0.801 -14.331 -1.151 250 HA LYS 55 HA LYS 55 -1.120 -15.277 -2.981 251 HB2 LYS 55 HB2 LYS 55 0.990 -13.772 -3.330 252 HB3 LYS 55 HB1 LYS 55 1.815 -15.300 -3.595 253 HG2 LYS 55 HG2 LYS 55 -0.644 -14.493 -5.124 254 HG3 LYS 55 HG1 LYS 55 0.990 -14.091 -5.651 255 HD2 LYS 55 HD2 LYS 55 -0.003 -16.894 -5.130 256 HD3 LYS 55 HD1 LYS 55 0.070 -16.137 -6.720 257 HE2 LYS 55 HE2 LYS 55 2.493 -15.871 -6.478 258 HE3 LYS 55 HE1 LYS 55 2.417 -16.630 -4.887 259 HZ1 LYS 55 HZ1 LYS 55 3.106 -18.193 -6.601 260 HZ2 LYS 55 HZ2 LYS 55 1.667 -17.932 -7.452 261 HZ3 LYS 55 HZ3 LYS 55 1.627 -18.657 -5.926 Start of MODEL 11 1 H1 SER 26 HT1 SER 26 -7.220 24.970 13.048 2 H2 SER 26 HT2 SER 26 -7.816 26.134 14.120 3 H3 SER 26 HT3 SER 26 -7.217 26.605 12.611 4 HA SER 26 HA SER 26 -9.612 24.927 13.070 5 HB2 SER 26 HB2 SER 26 -10.879 26.883 12.267 6 HB3 SER 26 HB1 SER 26 -9.971 27.268 13.728 7 HG SER 26 HG SER 26 -8.604 27.726 11.386 8 H ASN 27 HN ASN 27 -7.109 25.914 10.984 9 HA ASN 27 HA ASN 27 -8.395 24.495 8.767 10 HB2 ASN 27 HB2 ASN 27 -7.591 26.196 7.165 11 HB3 ASN 27 HB1 ASN 27 -8.753 26.863 8.307 12 HD21 ASN 27 HD21 ASN 27 -8.056 28.307 9.876 13 HD22 ASN 27 HD22 ASN 27 -6.526 29.104 9.778 14 H LYS 28 HN LYS 28 -6.304 23.815 10.710 15 HA LYS 28 HA LYS 28 -3.757 23.937 9.473 16 HB2 LYS 28 HB2 LYS 28 -3.124 22.202 11.131 17 HB3 LYS 28 HB1 LYS 28 -3.930 23.586 11.856 18 HG2 LYS 28 HG2 LYS 28 -6.007 22.331 11.991 19 HG3 LYS 28 HG1 LYS 28 -5.232 20.947 11.215 20 HD2 LYS 28 HD2 LYS 28 -3.679 20.753 13.084 21 HD3 LYS 28 HD1 LYS 28 -4.411 22.164 13.851 22 HE2 LYS 28 HE2 LYS 28 -5.233 20.073 14.829 23 HE3 LYS 28 HE1 LYS 28 -6.526 20.985 14.053 24 HZ1 LYS 28 HZ1 LYS 28 -6.351 19.535 12.130 25 HZ2 LYS 28 HZ2 LYS 28 -6.659 18.633 13.527 26 HZ3 LYS 28 HZ3 LYS 28 -5.103 18.663 12.869 27 H GLY 29 HN GLY 29 -6.509 22.110 8.781 28 HA2 GLY 29 HA2 GLY 29 -5.401 19.660 7.949 29 HA3 GLY 29 HA1 GLY 29 -6.916 20.339 7.379 30 H ALA 30 HN ALA 30 -5.095 22.762 6.593 31 HA ALA 30 HA ALA 30 -4.830 21.976 3.855 32 HB1 ALA 30 HB1 ALA 30 -5.478 24.250 4.483 33 HB2 ALA 30 HB2 ALA 30 -4.021 24.246 3.489 34 HB3 ALA 30 HB3 ALA 30 -3.899 24.494 5.230 35 H ILE 31 HN ILE 31 -2.649 22.356 6.573 36 HA ILE 31 HA ILE 31 -0.300 21.946 4.905 37 HB ILE 31 HB ILE 31 -0.521 22.258 7.903 38 HG12 ILE 31 HG12 ILE 31 0.394 24.250 5.815 39 HG13 ILE 31 HG11 ILE 31 -1.201 24.253 6.559 40 HG21 ILE 31 HG21 ILE 31 1.903 22.628 7.834 41 HG22 ILE 31 HG22 ILE 31 1.901 22.275 6.106 42 HG23 ILE 31 HG23 ILE 31 1.471 21.015 7.264 43 HD11 ILE 31 HD11 ILE 31 1.417 24.636 7.991 44 HD12 ILE 31 HD12 ILE 31 -0.179 24.632 8.743 45 HD13 ILE 31 HD13 ILE 31 0.250 25.895 7.590 46 H ILE 32 HN ILE 32 -1.746 20.361 7.758 47 HA ILE 32 HA ILE 32 -0.133 18.077 7.717 48 HB ILE 32 HB ILE 32 -2.908 18.528 8.806 49 HG12 ILE 32 HG12 ILE 32 -1.619 18.257 10.987 50 HG13 ILE 32 HG11 ILE 32 -0.149 18.340 10.023 51 HG21 ILE 32 HG21 ILE 32 -2.628 16.388 10.030 52 HG22 ILE 32 HG22 ILE 32 -1.208 16.049 9.041 53 HG23 ILE 32 HG23 ILE 32 -2.798 16.185 8.287 54 HD11 ILE 32 HD11 ILE 32 -2.252 20.484 10.208 55 HD12 ILE 32 HD12 ILE 32 -0.764 20.569 9.266 56 HD13 ILE 32 HD13 ILE 32 -0.691 20.485 11.026 57 H GLY 33 HN GLY 33 -3.082 18.859 5.980 58 HA2 GLY 33 HA2 GLY 33 -3.760 16.299 5.063 59 HA3 GLY 33 HA1 GLY 33 -4.162 17.806 4.250 60 H LEU 34 HN LEU 34 -1.500 18.680 3.765 61 HA LEU 34 HA LEU 34 -0.965 17.237 1.366 62 HB2 LEU 34 HB2 LEU 34 0.575 19.423 2.763 63 HB3 LEU 34 HB1 LEU 34 0.981 18.789 1.179 64 HG LEU 34 HG LEU 34 -1.645 20.122 1.842 65 HD11 LEU 34 HD11 LEU 34 -0.765 22.044 0.603 66 HD12 LEU 34 HD12 LEU 34 0.799 21.241 0.476 67 HD13 LEU 34 HD13 LEU 34 0.177 21.715 2.056 68 HD21 LEU 34 HD21 LEU 34 -0.385 19.350 -0.788 69 HD22 LEU 34 HD22 LEU 34 -1.908 20.218 -0.585 70 HD23 LEU 34 HD23 LEU 34 -1.760 18.553 -0.023 71 H MET 35 HN MET 35 0.185 17.036 4.609 72 HA MET 35 HA MET 35 2.674 15.759 4.023 73 HB2 MET 35 HB2 MET 35 1.070 15.753 6.587 74 HB3 MET 35 HB1 MET 35 2.754 15.270 6.422 75 HG2 MET 35 HG2 MET 35 3.337 17.549 5.753 76 HG3 MET 35 HG1 MET 35 1.652 18.029 5.936 77 HE1 MET 35 HE1 MET 35 3.738 15.561 8.178 78 HE2 MET 35 HE2 MET 35 4.325 16.647 9.436 79 HE3 MET 35 HE3 MET 35 4.906 16.823 7.780 80 H VAL 36 HN VAL 36 -0.605 14.709 4.354 81 HA VAL 36 HA VAL 36 -0.109 11.975 4.924 82 HB VAL 36 HB VAL 36 -2.511 13.132 3.502 83 HG11 VAL 36 HG11 VAL 36 -2.166 10.616 5.129 84 HG12 VAL 36 HG12 VAL 36 -2.368 10.707 3.378 85 HG13 VAL 36 HG13 VAL 36 -3.685 11.197 4.445 86 HG21 VAL 36 HG21 VAL 36 -3.541 13.286 5.729 87 HG22 VAL 36 HG22 VAL 36 -2.136 14.341 5.573 88 HG23 VAL 36 HG23 VAL 36 -2.005 12.822 6.460 89 H GLY 37 HN GLY 37 0.019 13.874 2.039 90 HA2 GLY 37 HA2 GLY 37 -0.367 11.816 0.132 91 HA3 GLY 37 HA1 GLY 37 0.437 13.353 -0.156 92 H GLY 38 HN GLY 38 2.148 12.286 2.316 93 HA2 GLY 38 HA2 GLY 38 4.134 11.022 0.559 94 HA3 GLY 38 HA1 GLY 38 4.472 11.798 2.098 95 H VAL 39 HN VAL 39 2.354 10.484 3.546 96 HA VAL 39 HA VAL 39 3.732 8.041 4.168 97 HB VAL 39 HB VAL 39 2.767 9.404 5.958 98 HG11 VAL 39 HG11 VAL 39 0.831 10.280 4.770 99 HG12 VAL 39 HG12 VAL 39 0.341 9.512 6.282 100 HG13 VAL 39 HG13 VAL 39 0.102 8.673 4.749 101 HG21 VAL 39 HG21 VAL 39 3.055 7.007 6.331 102 HG22 VAL 39 HG22 VAL 39 1.434 6.708 5.704 103 HG23 VAL 39 HG23 VAL 39 1.649 7.619 7.200 104 H VAL 40 HN VAL 40 0.853 8.957 2.427 105 HA VAL 40 HA VAL 40 -0.452 6.478 2.370 106 HB VAL 40 HB VAL 40 -1.521 8.589 1.725 107 HG11 VAL 40 HG11 VAL 40 0.353 9.525 0.503 108 HG12 VAL 40 HG12 VAL 40 -1.113 9.523 -0.479 109 HG13 VAL 40 HG13 VAL 40 0.142 8.312 -0.756 110 HG21 VAL 40 HG21 VAL 40 -2.787 7.708 -0.186 111 HG22 VAL 40 HG22 VAL 40 -2.542 6.483 1.058 112 HG23 VAL 40 HG23 VAL 40 -1.564 6.458 -0.409 113 H ILE 41 HN ILE 41 2.067 7.848 0.367 114 HA ILE 41 HA ILE 41 2.033 5.914 -1.686 115 HB ILE 41 HB ILE 41 4.456 7.450 -0.744 116 HG12 ILE 41 HG12 ILE 41 2.604 9.008 -1.093 117 HG13 ILE 41 HG11 ILE 41 3.798 9.183 -2.371 118 HG21 ILE 41 HG21 ILE 41 5.156 7.250 -3.088 119 HG22 ILE 41 HG22 ILE 41 3.719 6.288 -3.426 120 HG23 ILE 41 HG23 ILE 41 4.950 5.677 -2.321 121 HD11 ILE 41 HD11 ILE 41 2.386 7.876 -3.871 122 HD12 ILE 41 HD12 ILE 41 1.541 9.296 -3.249 123 HD13 ILE 41 HD13 ILE 41 1.189 7.700 -2.587 124 H ALA 42 HN ALA 42 3.863 6.127 1.343 125 HA ALA 42 HA ALA 42 5.392 3.774 0.905 126 HB1 ALA 42 HB1 ALA 42 6.007 3.964 3.255 127 HB2 ALA 42 HB2 ALA 42 4.734 5.157 3.503 128 HB3 ALA 42 HB3 ALA 42 6.101 5.532 2.455 129 H THR 43 HN THR 43 2.189 4.363 2.044 130 HA THR 43 HA THR 43 1.820 1.960 3.514 131 HB THR 43 HB THR 43 -0.293 3.627 2.132 132 HG1 THR 43 HG1 THR 43 1.326 4.301 4.110 133 HG21 THR 43 HG21 THR 43 -1.101 1.434 2.834 134 HG22 THR 43 HG22 THR 43 -1.787 2.701 3.850 135 HG23 THR 43 HG23 THR 43 -0.464 1.704 4.456 136 H MET 44 HN MET 44 1.771 2.736 0.142 137 HA MET 44 HA MET 44 0.284 0.404 -0.660 138 HB2 MET 44 HB2 MET 44 0.240 2.465 -1.997 139 HB3 MET 44 HB1 MET 44 1.967 2.315 -2.292 140 HG2 MET 44 HG2 MET 44 1.578 0.219 -3.489 141 HG3 MET 44 HG1 MET 44 -0.154 0.383 -3.203 142 HE1 MET 44 HE1 MET 44 0.235 1.095 -7.054 143 HE2 MET 44 HE2 MET 44 -0.584 0.113 -5.839 144 HE3 MET 44 HE3 MET 44 1.156 -0.052 -6.080 145 H ILE 45 HN ILE 45 3.577 1.155 0.027 146 HA ILE 45 HA ILE 45 4.649 -1.088 -1.461 147 HB ILE 45 HB ILE 45 6.049 0.705 0.526 148 HG12 ILE 45 HG12 ILE 45 6.010 0.877 -2.497 149 HG13 ILE 45 HG11 ILE 45 5.075 1.919 -1.431 150 HG21 ILE 45 HG21 ILE 45 8.096 -0.080 -0.588 151 HG22 ILE 45 HG22 ILE 45 7.124 -1.177 -1.571 152 HG23 ILE 45 HG23 ILE 45 7.205 -1.398 0.176 153 HD11 ILE 45 HD11 ILE 45 8.077 1.738 -1.525 154 HD12 ILE 45 HD12 ILE 45 7.137 2.790 -0.468 155 HD13 ILE 45 HD13 ILE 45 7.088 3.024 -2.215 156 H VAL 46 HN VAL 46 4.002 -0.241 1.908 157 HA VAL 46 HA VAL 46 5.214 -2.518 3.063 158 HB VAL 46 HB VAL 46 3.913 -1.981 5.078 159 HG11 VAL 46 HG11 VAL 46 5.982 -0.786 4.663 160 HG12 VAL 46 HG12 VAL 46 4.807 0.280 5.434 161 HG13 VAL 46 HG13 VAL 46 5.117 0.417 3.705 162 HG21 VAL 46 HG21 VAL 46 1.815 -1.334 4.019 163 HG22 VAL 46 HG22 VAL 46 2.587 0.099 3.342 164 HG23 VAL 46 HG23 VAL 46 2.396 -0.056 5.087 165 H ILE 47 HN ILE 47 2.069 -1.971 1.648 166 HA ILE 47 HA ILE 47 0.906 -4.375 2.734 167 HB ILE 47 HB ILE 47 -0.069 -2.522 0.557 168 HG12 ILE 47 HG12 ILE 47 -0.985 -2.832 3.424 169 HG13 ILE 47 HG11 ILE 47 0.088 -1.559 2.854 170 HG21 ILE 47 HG21 ILE 47 -1.007 -4.736 0.241 171 HG22 ILE 47 HG22 ILE 47 -2.246 -3.631 0.837 172 HG23 ILE 47 HG23 ILE 47 -1.498 -4.793 1.934 173 HD11 ILE 47 HD11 ILE 47 -2.754 -2.006 1.974 174 HD12 ILE 47 HD12 ILE 47 -1.681 -0.736 1.382 175 HD13 ILE 47 HD13 ILE 47 -2.182 -0.751 3.073 176 H THR 48 HN THR 48 2.701 -3.483 -0.092 177 HA THR 48 HA THR 48 1.943 -5.455 -1.899 178 HB THR 48 HB THR 48 4.715 -4.310 -1.509 179 HG1 THR 48 HG1 THR 48 3.037 -3.418 -3.544 180 HG21 THR 48 HG21 THR 48 3.452 -5.641 -3.909 181 HG22 THR 48 HG22 THR 48 4.734 -6.317 -2.902 182 HG23 THR 48 HG23 THR 48 5.043 -4.879 -3.876 183 H LEU 49 HN LEU 49 4.371 -5.581 0.683 184 HA LEU 49 HA LEU 49 5.268 -8.205 0.088 185 HB2 LEU 49 HB2 LEU 49 5.457 -6.506 2.567 186 HB3 LEU 49 HB1 LEU 49 6.157 -8.109 2.468 187 HG LEU 49 HG LEU 49 7.492 -7.271 0.478 188 HD11 LEU 49 HD11 LEU 49 6.155 -5.312 -0.050 189 HD12 LEU 49 HD12 LEU 49 7.815 -4.850 0.327 190 HD13 LEU 49 HD13 LEU 49 6.539 -4.607 1.521 191 HD21 LEU 49 HD21 LEU 49 8.467 -7.599 2.685 192 HD22 LEU 49 HD22 LEU 49 7.957 -5.978 3.162 193 HD23 LEU 49 HD23 LEU 49 9.161 -6.186 1.891 194 H VAL 50 HN VAL 50 2.545 -6.960 1.804 195 HA VAL 50 HA VAL 50 2.030 -9.379 3.291 196 HB VAL 50 HB VAL 50 0.164 -7.053 2.810 197 HG11 VAL 50 HG11 VAL 50 0.194 -9.203 4.925 198 HG12 VAL 50 HG12 VAL 50 -0.971 -9.039 3.609 199 HG13 VAL 50 HG13 VAL 50 -0.905 -7.824 4.889 200 HG21 VAL 50 HG21 VAL 50 0.933 -6.198 4.975 201 HG22 VAL 50 HG22 VAL 50 2.246 -6.265 3.799 202 HG23 VAL 50 HG23 VAL 50 2.126 -7.492 5.059 203 H MET 51 HN MET 51 1.178 -8.061 0.199 204 HA MET 51 HA MET 51 -1.125 -9.687 -0.249 205 HB2 MET 51 HB2 MET 51 0.656 -8.114 -2.107 206 HB3 MET 51 HB1 MET 51 -0.752 -9.008 -2.662 207 HG2 MET 51 HG2 MET 51 -0.798 -6.789 -0.630 208 HG3 MET 51 HG1 MET 51 -1.203 -6.618 -2.337 209 HE1 MET 51 HE1 MET 51 -3.535 -5.552 -1.705 210 HE2 MET 51 HE2 MET 51 -3.172 -5.710 0.015 211 HE3 MET 51 HE3 MET 51 -4.703 -6.307 -0.622 212 H LEU 52 HN LEU 52 2.249 -9.864 -1.370 213 HA LEU 52 HA LEU 52 1.907 -12.299 -2.782 214 HB2 LEU 52 HB2 LEU 52 4.312 -10.799 -1.790 215 HB3 LEU 52 HB1 LEU 52 4.477 -12.364 -2.557 216 HG LEU 52 HG LEU 52 4.902 -10.609 -4.164 217 HD11 LEU 52 HD11 LEU 52 2.238 -11.924 -4.678 218 HD12 LEU 52 HD12 LEU 52 3.822 -12.642 -4.970 219 HD13 LEU 52 HD13 LEU 52 3.310 -11.233 -5.897 220 HD21 LEU 52 HD21 LEU 52 2.116 -9.634 -3.545 221 HD22 LEU 52 HD22 LEU 52 3.172 -9.013 -4.814 222 HD23 LEU 52 HD23 LEU 52 3.622 -8.818 -3.120 223 H LYS 53 HN LYS 53 2.816 -11.529 0.522 224 HA LYS 53 HA LYS 53 3.706 -14.148 1.200 225 HB2 LYS 53 HB2 LYS 53 4.371 -12.123 2.457 226 HB3 LYS 53 HB1 LYS 53 2.714 -11.946 3.019 227 HG2 LYS 53 HG2 LYS 53 2.863 -14.047 4.212 228 HG3 LYS 53 HG1 LYS 53 4.494 -14.310 3.591 229 HD2 LYS 53 HD2 LYS 53 3.683 -11.961 5.303 230 HD3 LYS 53 HD1 LYS 53 4.417 -13.438 5.928 231 HE2 LYS 53 HE2 LYS 53 6.387 -13.046 4.527 232 HE3 LYS 53 HE1 LYS 53 5.652 -11.572 3.903 233 HZ1 LYS 53 HZ1 LYS 53 6.376 -12.077 6.739 234 HZ2 LYS 53 HZ2 LYS 53 5.667 -10.663 6.146 235 HZ3 LYS 53 HZ3 LYS 53 7.230 -11.090 5.662 236 H LYS 54 HN LYS 54 0.599 -12.564 1.148 237 HA LYS 54 HA LYS 54 -0.777 -14.404 2.811 238 HB2 LYS 54 HB2 LYS 54 -1.591 -12.113 2.210 239 HB3 LYS 54 HB1 LYS 54 -1.932 -12.709 0.591 240 HG2 LYS 54 HG2 LYS 54 -3.500 -14.350 1.554 241 HG3 LYS 54 HG1 LYS 54 -3.198 -13.664 3.153 242 HD2 LYS 54 HD2 LYS 54 -5.207 -12.683 2.352 243 HD3 LYS 54 HD1 LYS 54 -3.953 -11.448 2.221 244 HE2 LYS 54 HE2 LYS 54 -5.337 -11.472 0.223 245 HE3 LYS 54 HE1 LYS 54 -3.692 -11.977 -0.158 246 HZ1 LYS 54 HZ1 LYS 54 -6.007 -13.794 0.248 247 HZ2 LYS 54 HZ2 LYS 54 -4.429 -14.277 -0.119 248 HZ3 LYS 54 HZ3 LYS 54 -5.324 -13.386 -1.243 249 H LYS 55 HN LYS 55 0.335 -14.537 -0.426 250 HA LYS 55 HA LYS 55 -1.515 -16.357 -1.525 251 HB2 LYS 55 HB2 LYS 55 1.402 -15.949 -2.205 252 HB3 LYS 55 HB1 LYS 55 0.235 -16.811 -3.200 253 HG2 LYS 55 HG2 LYS 55 -1.016 -14.799 -3.574 254 HG3 LYS 55 HG1 LYS 55 -0.001 -13.907 -2.440 255 HD2 LYS 55 HD2 LYS 55 0.795 -13.317 -4.571 256 HD3 LYS 55 HD1 LYS 55 1.950 -14.503 -3.964 257 HE2 LYS 55 HE2 LYS 55 -0.364 -15.242 -5.740 258 HE3 LYS 55 HE1 LYS 55 1.208 -14.765 -6.377 259 HZ1 LYS 55 HZ1 LYS 55 2.176 -16.597 -5.021 260 HZ2 LYS 55 HZ2 LYS 55 1.149 -17.120 -6.259 261 HZ3 LYS 55 HZ3 LYS 55 0.602 -17.109 -4.660 Start of MODEL 12 1 H1 SER 26 HT1 SER 26 -6.479 31.885 1.672 2 H2 SER 26 HT2 SER 26 -6.346 32.566 3.214 3 H3 SER 26 HT3 SER 26 -7.124 31.080 3.011 4 HA SER 26 HA SER 26 -4.257 31.592 2.473 5 HB2 SER 26 HB2 SER 26 -5.599 30.175 4.791 6 HB3 SER 26 HB1 SER 26 -3.861 30.208 4.497 7 HG SER 26 HG SER 26 -4.488 32.683 4.438 8 H ASN 27 HN ASN 27 -3.067 29.784 1.834 9 HA ASN 27 HA ASN 27 -4.673 27.471 0.965 10 HB2 ASN 27 HB2 ASN 27 -2.309 28.718 -0.452 11 HB3 ASN 27 HB1 ASN 27 -3.146 27.257 -0.964 12 HD21 ASN 27 HD21 ASN 27 -2.777 29.801 -2.344 13 HD22 ASN 27 HD22 ASN 27 -4.362 30.373 -2.720 14 H LYS 28 HN LYS 28 -2.989 28.034 3.405 15 HA LYS 28 HA LYS 28 -0.619 26.515 3.278 16 HB2 LYS 28 HB2 LYS 28 -2.381 27.058 5.675 17 HB3 LYS 28 HB1 LYS 28 -0.710 26.516 5.728 18 HG2 LYS 28 HG2 LYS 28 0.035 28.592 4.736 19 HG3 LYS 28 HG1 LYS 28 -1.635 29.136 4.567 20 HD2 LYS 28 HD2 LYS 28 -1.891 29.047 7.015 21 HD3 LYS 28 HD1 LYS 28 -0.201 28.559 7.159 22 HE2 LYS 28 HE2 LYS 28 -1.211 31.151 5.996 23 HE3 LYS 28 HE1 LYS 28 -0.463 30.945 7.578 24 HZ1 LYS 28 HZ1 LYS 28 1.097 31.781 5.909 25 HZ2 LYS 28 HZ2 LYS 28 0.867 30.384 4.983 26 HZ3 LYS 28 HZ3 LYS 28 1.579 30.278 6.513 27 H GLY 29 HN GLY 29 -3.948 25.671 4.095 28 HA2 GLY 29 HA2 GLY 29 -3.422 23.024 4.948 29 HA3 GLY 29 HA1 GLY 29 -4.978 23.644 4.417 30 H ALA 30 HN ALA 30 -3.547 24.434 1.816 31 HA ALA 30 HA ALA 30 -4.308 22.127 0.344 32 HB1 ALA 30 HB1 ALA 30 -2.717 24.524 -0.563 33 HB2 ALA 30 HB2 ALA 30 -4.474 24.383 -0.584 34 HB3 ALA 30 HB3 ALA 30 -3.494 23.336 -1.611 35 H ILE 31 HN ILE 31 -1.218 23.404 1.449 36 HA ILE 31 HA ILE 31 0.478 21.755 -0.059 37 HB ILE 31 HB ILE 31 0.980 22.838 2.717 38 HG12 ILE 31 HG12 ILE 31 1.690 24.043 0.031 39 HG13 ILE 31 HG11 ILE 31 0.341 24.569 1.032 40 HG21 ILE 31 HG21 ILE 31 3.350 22.652 2.114 41 HG22 ILE 31 HG22 ILE 31 2.896 21.921 0.573 42 HG23 ILE 31 HG23 ILE 31 2.546 21.081 2.085 43 HD11 ILE 31 HD11 ILE 31 2.247 26.045 1.283 44 HD12 ILE 31 HD12 ILE 31 3.252 24.685 1.783 45 HD13 ILE 31 HD13 ILE 31 1.906 25.206 2.796 46 H ILE 32 HN ILE 32 -0.883 21.303 3.196 47 HA ILE 32 HA ILE 32 0.335 18.835 3.741 48 HB ILE 32 HB ILE 32 -2.229 20.042 4.778 49 HG12 ILE 32 HG12 ILE 32 -0.781 20.191 6.882 50 HG13 ILE 32 HG11 ILE 32 0.585 19.802 5.842 51 HG21 ILE 32 HG21 ILE 32 -0.862 17.500 5.645 52 HG22 ILE 32 HG22 ILE 32 -2.486 17.664 4.976 53 HG23 ILE 32 HG23 ILE 32 -2.119 18.324 6.570 54 HD11 ILE 32 HD11 ILE 32 -1.233 22.178 5.518 55 HD12 ILE 32 HD12 ILE 32 0.180 21.800 4.533 56 HD13 ILE 32 HD13 ILE 32 0.377 22.199 6.239 57 H GLY 33 HN GLY 33 -2.659 19.659 2.073 58 HA2 GLY 33 HA2 GLY 33 -3.760 17.080 1.906 59 HA3 GLY 33 HA1 GLY 33 -4.084 18.398 0.789 60 H LEU 34 HN LEU 34 -1.245 18.641 0.043 61 HA LEU 34 HA LEU 34 -1.249 16.626 -2.022 62 HB2 LEU 34 HB2 LEU 34 0.759 18.796 -1.409 63 HB3 LEU 34 HB1 LEU 34 0.749 17.799 -2.851 64 HG LEU 34 HG LEU 34 -1.418 19.755 -2.074 65 HD11 LEU 34 HD11 LEU 34 0.656 20.875 -2.707 66 HD12 LEU 34 HD12 LEU 34 -0.589 21.092 -3.938 67 HD13 LEU 34 HD13 LEU 34 0.714 19.933 -4.197 68 HD21 LEU 34 HD21 LEU 34 -2.286 17.872 -3.351 69 HD22 LEU 34 HD22 LEU 34 -1.037 18.110 -4.574 70 HD23 LEU 34 HD23 LEU 34 -2.279 19.340 -4.329 71 H MET 35 HN MET 35 0.274 17.134 1.032 72 HA MET 35 HA MET 35 2.530 15.453 0.656 73 HB2 MET 35 HB2 MET 35 1.088 16.314 3.169 74 HB3 MET 35 HB1 MET 35 2.608 15.431 3.158 75 HG2 MET 35 HG2 MET 35 2.170 18.148 1.944 76 HG3 MET 35 HG1 MET 35 2.915 17.834 3.510 77 HE1 MET 35 HE1 MET 35 4.323 19.600 1.295 78 HE2 MET 35 HE2 MET 35 5.972 18.978 1.360 79 HE3 MET 35 HE3 MET 35 5.064 19.226 2.852 80 H VAL 36 HN VAL 36 -0.806 14.880 1.327 81 HA VAL 36 HA VAL 36 -0.620 12.334 2.524 82 HB VAL 36 HB VAL 36 -2.860 13.364 0.777 83 HG11 VAL 36 HG11 VAL 36 -2.844 11.277 2.955 84 HG12 VAL 36 HG12 VAL 36 -2.967 10.965 1.223 85 HG13 VAL 36 HG13 VAL 36 -4.260 11.828 2.059 86 HG21 VAL 36 HG21 VAL 36 -3.893 14.122 2.882 87 HG22 VAL 36 HG22 VAL 36 -2.385 14.969 2.532 88 HG23 VAL 36 HG23 VAL 36 -2.416 13.689 3.744 89 H GLY 37 HN GLY 37 -0.507 13.415 -0.799 90 HA2 GLY 37 HA2 GLY 37 -0.899 10.851 -1.991 91 HA3 GLY 37 HA1 GLY 37 -0.255 12.278 -2.787 92 H GLY 38 HN GLY 38 1.741 12.257 -0.377 93 HA2 GLY 38 HA2 GLY 38 3.693 10.579 -1.779 94 HA3 GLY 38 HA1 GLY 38 4.065 11.854 -0.629 95 H VAL 39 HN VAL 39 2.233 11.020 1.395 96 HA VAL 39 HA VAL 39 3.849 9.020 2.661 97 HB VAL 39 HB VAL 39 2.844 10.881 3.934 98 HG11 VAL 39 HG11 VAL 39 0.722 11.043 2.747 99 HG12 VAL 39 HG12 VAL 39 0.462 10.850 4.481 100 HG13 VAL 39 HG13 VAL 39 0.230 9.479 3.396 101 HG21 VAL 39 HG21 VAL 39 1.953 8.129 4.785 102 HG22 VAL 39 HG22 VAL 39 2.028 9.541 5.839 103 HG23 VAL 39 HG23 VAL 39 3.506 8.890 5.132 104 H VAL 40 HN VAL 40 0.830 9.077 0.933 105 HA VAL 40 HA VAL 40 -0.267 6.661 1.841 106 HB VAL 40 HB VAL 40 -1.512 8.341 0.532 107 HG11 VAL 40 HG11 VAL 40 0.033 7.210 -1.776 108 HG12 VAL 40 HG12 VAL 40 0.246 8.811 -1.079 109 HG13 VAL 40 HG13 VAL 40 -1.270 8.393 -1.876 110 HG21 VAL 40 HG21 VAL 40 -1.492 5.544 -0.601 111 HG22 VAL 40 HG22 VAL 40 -2.786 6.723 -0.826 112 HG23 VAL 40 HG23 VAL 40 -2.424 6.105 0.787 113 H ILE 41 HN ILE 41 2.117 7.399 -0.584 114 HA ILE 41 HA ILE 41 2.214 4.930 -1.910 115 HB ILE 41 HB ILE 41 4.502 6.846 -1.417 116 HG12 ILE 41 HG12 ILE 41 2.580 7.956 -2.465 117 HG13 ILE 41 HG11 ILE 41 3.918 7.809 -3.596 118 HG21 ILE 41 HG21 ILE 41 4.139 4.723 -3.528 119 HG22 ILE 41 HG22 ILE 41 5.266 4.664 -2.171 120 HG23 ILE 41 HG23 ILE 41 5.475 5.870 -3.441 121 HD11 ILE 41 HD11 ILE 41 1.476 6.051 -3.514 122 HD12 ILE 41 HD12 ILE 41 2.814 5.907 -4.653 123 HD13 ILE 41 HD13 ILE 41 1.792 7.345 -4.672 124 H ALA 42 HN ALA 42 3.928 6.109 0.958 125 HA ALA 42 HA ALA 42 5.606 3.897 1.348 126 HB1 ALA 42 HB1 ALA 42 5.929 6.032 2.494 127 HB2 ALA 42 HB2 ALA 42 5.838 4.697 3.644 128 HB3 ALA 42 HB3 ALA 42 4.451 5.764 3.419 129 H THR 43 HN THR 43 2.272 4.494 2.260 130 HA THR 43 HA THR 43 2.080 2.122 3.889 131 HB THR 43 HB THR 43 -0.152 3.881 2.851 132 HG1 THR 43 HG1 THR 43 0.167 4.439 5.327 133 HG21 THR 43 HG21 THR 43 -1.415 2.967 4.753 134 HG22 THR 43 HG22 THR 43 -0.053 1.917 5.145 135 HG23 THR 43 HG23 THR 43 -0.924 1.700 3.627 136 H MET 44 HN MET 44 1.727 2.923 0.572 137 HA MET 44 HA MET 44 0.025 0.670 -0.063 138 HB2 MET 44 HB2 MET 44 -0.126 2.797 -1.321 139 HB3 MET 44 HB1 MET 44 1.515 2.554 -1.901 140 HG2 MET 44 HG2 MET 44 0.829 0.547 -3.077 141 HG3 MET 44 HG1 MET 44 -0.810 0.726 -2.453 142 HE1 MET 44 HE1 MET 44 -2.019 3.993 -4.224 143 HE2 MET 44 HE2 MET 44 -1.280 3.849 -2.628 144 HE3 MET 44 HE3 MET 44 -2.469 2.661 -3.162 145 H ILE 45 HN ILE 45 3.400 1.342 0.158 146 HA ILE 45 HA ILE 45 4.248 -0.822 -1.541 147 HB ILE 45 HB ILE 45 5.766 0.910 0.409 148 HG12 ILE 45 HG12 ILE 45 5.870 0.808 -2.610 149 HG13 ILE 45 HG11 ILE 45 4.885 1.950 -1.703 150 HG21 ILE 45 HG21 ILE 45 6.862 -1.243 0.301 151 HG22 ILE 45 HG22 ILE 45 7.813 -0.049 -0.581 152 HG23 ILE 45 HG23 ILE 45 6.818 -1.209 -1.462 153 HD11 ILE 45 HD11 ILE 45 6.908 2.871 -0.684 154 HD12 ILE 45 HD12 ILE 45 6.946 2.980 -2.444 155 HD13 ILE 45 HD13 ILE 45 7.886 1.738 -1.617 156 H VAL 46 HN VAL 46 4.041 -0.258 1.956 157 HA VAL 46 HA VAL 46 5.206 -2.642 2.822 158 HB VAL 46 HB VAL 46 4.003 -2.314 4.930 159 HG11 VAL 46 HG11 VAL 46 5.050 0.248 3.730 160 HG12 VAL 46 HG12 VAL 46 6.007 -1.006 4.520 161 HG13 VAL 46 HG13 VAL 46 4.842 -0.066 5.453 162 HG21 VAL 46 HG21 VAL 46 2.513 -0.153 3.442 163 HG22 VAL 46 HG22 VAL 46 2.432 -0.437 5.181 164 HG23 VAL 46 HG23 VAL 46 1.833 -1.658 4.058 165 H ILE 47 HN ILE 47 2.094 -2.049 1.437 166 HA ILE 47 HA ILE 47 0.823 -4.411 2.430 167 HB ILE 47 HB ILE 47 0.082 -2.658 0.085 168 HG12 ILE 47 HG12 ILE 47 -1.067 -2.724 2.882 169 HG13 ILE 47 HG11 ILE 47 0.140 -1.561 2.344 170 HG21 ILE 47 HG21 ILE 47 -1.530 -4.758 1.532 171 HG22 ILE 47 HG22 ILE 47 -0.909 -4.870 -0.115 172 HG23 ILE 47 HG23 ILE 47 -2.141 -3.674 0.283 173 HD11 ILE 47 HD11 ILE 47 -2.072 -0.589 2.296 174 HD12 ILE 47 HD12 ILE 47 -2.641 -1.879 1.238 175 HD13 ILE 47 HD13 ILE 47 -1.432 -0.732 0.661 176 H THR 48 HN THR 48 2.672 -3.606 -0.456 177 HA THR 48 HA THR 48 2.001 -5.793 -2.055 178 HB THR 48 HB THR 48 4.045 -5.414 -3.278 179 HG1 THR 48 HG1 THR 48 5.502 -5.189 -1.546 180 HG21 THR 48 HG21 THR 48 2.281 -3.757 -3.589 181 HG22 THR 48 HG22 THR 48 3.870 -3.002 -3.716 182 HG23 THR 48 HG23 THR 48 2.917 -2.809 -2.245 183 H LEU 49 HN LEU 49 4.089 -5.594 0.726 184 HA LEU 49 HA LEU 49 5.432 -8.081 0.227 185 HB2 LEU 49 HB2 LEU 49 5.252 -6.321 2.667 186 HB3 LEU 49 HB1 LEU 49 6.172 -7.813 2.630 187 HG LEU 49 HG LEU 49 7.426 -6.777 0.639 188 HD11 LEU 49 HD11 LEU 49 5.864 -4.950 0.220 189 HD12 LEU 49 HD12 LEU 49 7.478 -4.344 0.588 190 HD13 LEU 49 HD13 LEU 49 6.213 -4.280 1.814 191 HD21 LEU 49 HD21 LEU 49 7.721 -5.599 3.401 192 HD22 LEU 49 HD22 LEU 49 8.950 -5.584 2.137 193 HD23 LEU 49 HD23 LEU 49 8.423 -7.115 2.834 194 H VAL 50 HN VAL 50 2.991 -7.046 2.613 195 HA VAL 50 HA VAL 50 2.559 -9.582 3.727 196 HB VAL 50 HB VAL 50 1.833 -7.516 4.822 197 HG11 VAL 50 HG11 VAL 50 -0.215 -6.386 4.084 198 HG12 VAL 50 HG12 VAL 50 -0.263 -7.429 2.663 199 HG13 VAL 50 HG13 VAL 50 1.067 -6.293 2.878 200 HG21 VAL 50 HG21 VAL 50 0.818 -9.639 5.483 201 HG22 VAL 50 HG22 VAL 50 -0.441 -9.418 4.268 202 HG23 VAL 50 HG23 VAL 50 -0.331 -8.309 5.634 203 H MET 51 HN MET 51 1.297 -8.104 0.833 204 HA MET 51 HA MET 51 -0.913 -9.853 0.480 205 HB2 MET 51 HB2 MET 51 0.604 -8.050 -1.391 206 HB3 MET 51 HB1 MET 51 -0.717 -9.067 -1.954 207 HG2 MET 51 HG2 MET 51 -0.915 -6.960 0.185 208 HG3 MET 51 HG1 MET 51 -1.447 -6.787 -1.485 209 HE1 MET 51 HE1 MET 51 -3.307 -6.215 1.053 210 HE2 MET 51 HE2 MET 51 -4.816 -6.959 0.522 211 HE3 MET 51 HE3 MET 51 -3.846 -6.022 -0.614 212 H LEU 52 HN LEU 52 2.480 -10.135 -0.176 213 HA LEU 52 HA LEU 52 2.213 -12.295 -2.056 214 HB2 LEU 52 HB2 LEU 52 4.582 -11.213 -0.538 215 HB3 LEU 52 HB1 LEU 52 4.689 -12.522 -1.699 216 HG LEU 52 HG LEU 52 3.715 -9.745 -2.368 217 HD11 LEU 52 HD11 LEU 52 6.057 -9.682 -1.715 218 HD12 LEU 52 HD12 LEU 52 5.889 -9.445 -3.455 219 HD13 LEU 52 HD13 LEU 52 6.414 -11.006 -2.823 220 HD21 LEU 52 HD21 LEU 52 4.480 -12.083 -4.113 221 HD22 LEU 52 HD22 LEU 52 4.020 -10.479 -4.682 222 HD23 LEU 52 HD23 LEU 52 2.843 -11.484 -3.837 223 H LYS 53 HN LYS 53 2.746 -11.967 1.397 224 HA LYS 53 HA LYS 53 3.444 -14.659 1.912 225 HB2 LYS 53 HB2 LYS 53 2.222 -12.546 3.694 226 HB3 LYS 53 HB1 LYS 53 2.782 -14.110 4.269 227 HG2 LYS 53 HG2 LYS 53 4.546 -12.125 2.858 228 HG3 LYS 53 HG1 LYS 53 4.377 -12.221 4.610 229 HD2 LYS 53 HD2 LYS 53 5.111 -14.594 4.494 230 HD3 LYS 53 HD1 LYS 53 5.399 -14.379 2.766 231 HE2 LYS 53 HE2 LYS 53 7.050 -12.666 3.224 232 HE3 LYS 53 HE1 LYS 53 6.720 -12.776 4.952 233 HZ1 LYS 53 HZ1 LYS 53 8.712 -13.998 4.359 234 HZ2 LYS 53 HZ2 LYS 53 7.841 -14.946 3.260 235 HZ3 LYS 53 HZ3 LYS 53 7.518 -15.060 4.916 236 H LYS 54 HN LYS 54 0.366 -12.939 1.836 237 HA LYS 54 HA LYS 54 -1.151 -15.223 2.705 238 HB2 LYS 54 HB2 LYS 54 -1.903 -12.953 3.219 239 HB3 LYS 54 HB1 LYS 54 -2.042 -12.595 1.504 240 HG2 LYS 54 HG2 LYS 54 -3.828 -14.206 1.272 241 HG3 LYS 54 HG1 LYS 54 -3.646 -14.687 2.960 242 HD2 LYS 54 HD2 LYS 54 -4.332 -11.885 2.081 243 HD3 LYS 54 HD1 LYS 54 -5.541 -13.100 2.502 244 HE2 LYS 54 HE2 LYS 54 -4.630 -13.270 4.743 245 HE3 LYS 54 HE1 LYS 54 -3.341 -12.140 4.331 246 HZ1 LYS 54 HZ1 LYS 54 -5.161 -11.087 5.561 247 HZ2 LYS 54 HZ2 LYS 54 -6.239 -11.488 4.323 248 HZ3 LYS 54 HZ3 LYS 54 -4.971 -10.409 4.023 249 H LYS 55 HN LYS 55 -0.197 -13.817 -0.346 250 HA LYS 55 HA LYS 55 -2.080 -15.199 -1.969 251 HB2 LYS 55 HB2 LYS 55 -0.816 -13.145 -2.655 252 HB3 LYS 55 HB1 LYS 55 0.629 -14.136 -2.784 253 HG2 LYS 55 HG2 LYS 55 -0.305 -13.824 -4.967 254 HG3 LYS 55 HG1 LYS 55 -0.512 -15.510 -4.494 255 HD2 LYS 55 HD2 LYS 55 -2.542 -14.725 -5.532 256 HD3 LYS 55 HD1 LYS 55 -2.837 -14.989 -3.812 257 HE2 LYS 55 HE2 LYS 55 -3.863 -12.908 -4.580 258 HE3 LYS 55 HE1 LYS 55 -2.597 -12.600 -3.392 259 HZ1 LYS 55 HZ1 LYS 55 -2.453 -11.051 -5.226 260 HZ2 LYS 55 HZ2 LYS 55 -2.325 -12.322 -6.336 261 HZ3 LYS 55 HZ3 LYS 55 -1.090 -12.054 -5.211 Start of MODEL 13 1 H1 SER 26 HT1 SER 26 -0.998 34.130 -2.442 2 H2 SER 26 HT2 SER 26 -2.426 33.236 -2.304 3 H3 SER 26 HT3 SER 26 -1.043 32.521 -2.963 4 HA SER 26 HA SER 26 0.100 32.663 -0.873 5 HB2 SER 26 HB2 SER 26 -2.502 33.837 0.141 6 HB3 SER 26 HB1 SER 26 -1.114 33.412 1.142 7 HG SER 26 HG SER 26 -1.307 35.437 -0.824 8 H ASN 27 HN ASN 27 -1.555 30.872 -2.509 9 HA ASN 27 HA ASN 27 -3.100 29.280 -0.673 10 HB2 ASN 27 HB2 ASN 27 -3.638 29.502 -3.115 11 HB3 ASN 27 HB1 ASN 27 -2.192 28.564 -3.469 12 HD21 ASN 27 HD21 ASN 27 -4.985 27.982 -4.043 13 HD22 ASN 27 HD22 ASN 27 -5.325 26.465 -3.291 14 H LYS 28 HN LYS 28 -1.776 28.523 0.930 15 HA LYS 28 HA LYS 28 0.732 27.231 0.321 16 HB2 LYS 28 HB2 LYS 28 0.435 28.551 2.381 17 HB3 LYS 28 HB1 LYS 28 -0.789 27.415 2.929 18 HG2 LYS 28 HG2 LYS 28 0.903 25.632 2.951 19 HG3 LYS 28 HG1 LYS 28 2.123 26.808 2.460 20 HD2 LYS 28 HD2 LYS 28 0.457 27.246 4.914 21 HD3 LYS 28 HD1 LYS 28 1.896 26.227 4.966 22 HE2 LYS 28 HE2 LYS 28 2.509 28.443 5.643 23 HE3 LYS 28 HE1 LYS 28 3.208 28.130 4.058 24 HZ1 LYS 28 HZ1 LYS 28 0.674 29.616 4.482 25 HZ2 LYS 28 HZ2 LYS 28 1.527 29.447 3.031 26 HZ3 LYS 28 HZ3 LYS 28 2.184 30.356 4.294 27 H GLY 29 HN GLY 29 -2.552 26.308 0.596 28 HA2 GLY 29 HA2 GLY 29 -2.237 23.626 1.447 29 HA3 GLY 29 HA1 GLY 29 -3.615 24.270 0.567 30 H ALA 30 HN ALA 30 -1.328 25.128 -1.435 31 HA ALA 30 HA ALA 30 -1.735 22.874 -3.176 32 HB1 ALA 30 HB1 ALA 30 -1.766 25.160 -4.045 33 HB2 ALA 30 HB2 ALA 30 -0.520 24.190 -4.828 34 HB3 ALA 30 HB3 ALA 30 -0.076 25.360 -3.585 35 H ILE 31 HN ILE 31 0.816 24.078 -1.126 36 HA ILE 31 HA ILE 31 2.800 22.283 -2.258 37 HB ILE 31 HB ILE 31 3.020 24.053 0.181 38 HG12 ILE 31 HG12 ILE 31 3.965 24.569 -2.648 39 HG13 ILE 31 HG11 ILE 31 2.534 25.296 -1.926 40 HG21 ILE 31 HG21 ILE 31 5.436 23.782 -0.136 41 HG22 ILE 31 HG22 ILE 31 5.134 22.684 -1.482 42 HG23 ILE 31 HG23 ILE 31 4.643 22.235 0.150 43 HD11 ILE 31 HD11 ILE 31 3.929 26.404 -0.265 44 HD12 ILE 31 HD12 ILE 31 4.421 26.824 -1.905 45 HD13 ILE 31 HD13 ILE 31 5.364 25.663 -0.973 46 H ILE 32 HN ILE 32 0.958 22.648 0.743 47 HA ILE 32 HA ILE 32 2.118 20.501 2.140 48 HB ILE 32 HB ILE 32 -0.705 21.539 2.420 49 HG12 ILE 32 HG12 ILE 32 0.913 23.365 2.597 50 HG13 ILE 32 HG11 ILE 32 0.205 23.014 4.169 51 HG21 ILE 32 HG21 ILE 32 1.075 20.017 4.317 52 HG22 ILE 32 HG22 ILE 32 -0.404 19.435 3.552 53 HG23 ILE 32 HG23 ILE 32 -0.482 20.730 4.745 54 HD11 ILE 32 HD11 ILE 32 2.922 22.132 3.219 55 HD12 ILE 32 HD12 ILE 32 2.214 21.778 4.797 56 HD13 ILE 32 HD13 ILE 32 2.585 23.441 4.348 57 H GLY 33 HN GLY 33 -0.563 20.653 -0.144 58 HA2 GLY 33 HA2 GLY 33 -1.598 18.074 0.270 59 HA3 GLY 33 HA1 GLY 33 -1.758 19.010 -1.208 60 H LEU 34 HN LEU 34 1.263 19.133 -1.359 61 HA LEU 34 HA LEU 34 1.571 16.750 -2.943 62 HB2 LEU 34 HB2 LEU 34 3.530 18.952 -2.285 63 HB3 LEU 34 HB1 LEU 34 3.812 17.670 -3.447 64 HG LEU 34 HG LEU 34 1.617 19.731 -3.673 65 HD11 LEU 34 HD11 LEU 34 2.996 20.695 -5.461 66 HD12 LEU 34 HD12 LEU 34 4.287 19.562 -5.064 67 HD13 LEU 34 HD13 LEU 34 3.792 20.782 -3.890 68 HD21 LEU 34 HD21 LEU 34 2.636 17.671 -5.629 69 HD22 LEU 34 HD22 LEU 34 1.411 18.894 -5.963 70 HD23 LEU 34 HD23 LEU 34 1.090 17.625 -4.781 71 H MET 35 HN MET 35 2.416 17.770 0.249 72 HA MET 35 HA MET 35 4.469 15.775 0.615 73 HB2 MET 35 HB2 MET 35 3.068 17.484 2.680 74 HB3 MET 35 HB1 MET 35 4.544 16.558 2.921 75 HG2 MET 35 HG2 MET 35 5.676 17.971 1.258 76 HG3 MET 35 HG1 MET 35 4.201 18.914 1.081 77 HE1 MET 35 HE1 MET 35 5.623 21.146 1.609 78 HE2 MET 35 HE2 MET 35 7.063 20.138 1.761 79 HE3 MET 35 HE3 MET 35 6.665 21.301 3.026 80 H VAL 36 HN VAL 36 1.043 16.049 1.098 81 HA VAL 36 HA VAL 36 0.815 13.811 2.883 82 HB VAL 36 HB VAL 36 -1.340 15.132 1.225 83 HG11 VAL 36 HG11 VAL 36 -1.974 12.923 2.041 84 HG12 VAL 36 HG12 VAL 36 -2.879 14.186 2.877 85 HG13 VAL 36 HG13 VAL 36 -1.526 13.391 3.682 86 HG21 VAL 36 HG21 VAL 36 -1.862 16.413 3.243 87 HG22 VAL 36 HG22 VAL 36 -0.229 16.751 2.672 88 HG23 VAL 36 HG23 VAL 36 -0.476 15.691 4.060 89 H GLY 37 HN GLY 37 0.929 14.271 -0.546 90 HA2 GLY 37 HA2 GLY 37 -0.314 11.780 -1.244 91 HA3 GLY 37 HA1 GLY 37 0.590 12.832 -2.322 92 H GLY 38 HN GLY 38 2.586 12.411 0.212 93 HA2 GLY 38 HA2 GLY 38 4.060 10.307 -1.196 94 HA3 GLY 38 HA1 GLY 38 4.716 11.402 0.012 95 H VAL 39 HN VAL 39 2.800 11.032 2.037 96 HA VAL 39 HA VAL 39 3.833 8.776 3.343 97 HB VAL 39 HB VAL 39 2.863 10.706 4.534 98 HG11 VAL 39 HG11 VAL 39 0.405 10.841 4.792 99 HG12 VAL 39 HG12 VAL 39 0.236 9.605 3.544 100 HG13 VAL 39 HG13 VAL 39 0.950 11.169 3.146 101 HG21 VAL 39 HG21 VAL 39 1.545 8.070 5.186 102 HG22 VAL 39 HG22 VAL 39 1.725 9.433 6.290 103 HG23 VAL 39 HG23 VAL 39 3.153 8.581 5.699 104 H VAL 40 HN VAL 40 1.036 9.186 1.296 105 HA VAL 40 HA VAL 40 -0.291 6.780 1.999 106 HB VAL 40 HB VAL 40 -0.446 8.334 -0.589 107 HG11 VAL 40 HG11 VAL 40 -1.304 6.074 -0.840 108 HG12 VAL 40 HG12 VAL 40 -2.626 7.242 -0.862 109 HG13 VAL 40 HG13 VAL 40 -2.321 6.286 0.587 110 HG21 VAL 40 HG21 VAL 40 -2.149 8.495 1.896 111 HG22 VAL 40 HG22 VAL 40 -2.450 9.357 0.387 112 HG23 VAL 40 HG23 VAL 40 -1.007 9.717 1.336 113 H ILE 41 HN ILE 41 2.182 7.595 -0.365 114 HA ILE 41 HA ILE 41 2.123 5.221 -1.863 115 HB ILE 41 HB ILE 41 4.428 7.085 -1.332 116 HG12 ILE 41 HG12 ILE 41 2.328 6.895 -3.496 117 HG13 ILE 41 HG11 ILE 41 2.635 8.245 -2.408 118 HG21 ILE 41 HG21 ILE 41 4.142 4.973 -3.472 119 HG22 ILE 41 HG22 ILE 41 5.184 4.852 -2.054 120 HG23 ILE 41 HG23 ILE 41 5.495 6.085 -3.274 121 HD11 ILE 41 HD11 ILE 41 4.443 7.293 -4.608 122 HD12 ILE 41 HD12 ILE 41 4.775 8.634 -3.514 123 HD13 ILE 41 HD13 ILE 41 3.421 8.727 -4.640 124 H ALA 42 HN ALA 42 3.937 6.121 1.040 125 HA ALA 42 HA ALA 42 5.473 3.751 1.201 126 HB1 ALA 42 HB1 ALA 42 5.978 4.458 3.482 127 HB2 ALA 42 HB2 ALA 42 4.695 5.666 3.398 128 HB3 ALA 42 HB3 ALA 42 6.110 5.809 2.355 129 H THR 43 HN THR 43 2.223 4.526 2.092 130 HA THR 43 HA THR 43 1.897 2.335 3.931 131 HB THR 43 HB THR 43 -0.257 3.968 2.573 132 HG1 THR 43 HG1 THR 43 0.985 4.376 5.110 133 HG21 THR 43 HG21 THR 43 -1.614 3.307 4.517 134 HG22 THR 43 HG22 THR 43 -0.280 2.313 5.102 135 HG23 THR 43 HG23 THR 43 -1.083 1.907 3.586 136 H MET 44 HN MET 44 1.731 2.767 0.529 137 HA MET 44 HA MET 44 0.073 0.433 0.077 138 HB2 MET 44 HB2 MET 44 0.064 2.524 -1.373 139 HB3 MET 44 HB1 MET 44 1.622 1.992 -1.989 140 HG2 MET 44 HG2 MET 44 -0.819 0.253 -2.105 141 HG3 MET 44 HG1 MET 44 -0.441 1.431 -3.360 142 HE1 MET 44 HE1 MET 44 1.666 1.311 -4.928 143 HE2 MET 44 HE2 MET 44 2.937 0.095 -4.784 144 HE3 MET 44 HE3 MET 44 2.729 1.308 -3.520 145 H ILE 45 HN ILE 45 3.464 1.361 -0.190 146 HA ILE 45 HA ILE 45 4.426 -0.927 -1.486 147 HB ILE 45 HB ILE 45 5.866 0.838 0.499 148 HG12 ILE 45 HG12 ILE 45 5.857 0.934 -2.524 149 HG13 ILE 45 HG11 ILE 45 4.887 1.989 -1.501 150 HG21 ILE 45 HG21 ILE 45 6.945 -1.098 -1.547 151 HG22 ILE 45 HG22 ILE 45 7.022 -1.273 0.206 152 HG23 ILE 45 HG23 ILE 45 7.915 0.021 -0.590 153 HD11 ILE 45 HD11 ILE 45 6.877 3.128 -2.254 154 HD12 ILE 45 HD12 ILE 45 7.891 1.854 -1.576 155 HD13 ILE 45 HD13 ILE 45 6.940 2.885 -0.507 156 H VAL 46 HN VAL 46 3.878 -0.277 1.949 157 HA VAL 46 HA VAL 46 5.164 -2.592 2.931 158 HB VAL 46 HB VAL 46 3.903 -2.223 5.003 159 HG11 VAL 46 HG11 VAL 46 4.992 0.300 3.765 160 HG12 VAL 46 HG12 VAL 46 5.921 -0.935 4.615 161 HG13 VAL 46 HG13 VAL 46 4.735 0.035 5.488 162 HG21 VAL 46 HG21 VAL 46 2.467 -0.079 3.442 163 HG22 VAL 46 HG22 VAL 46 2.324 -0.360 5.179 164 HG23 VAL 46 HG23 VAL 46 1.760 -1.581 4.037 165 H ILE 47 HN ILE 47 2.050 -2.083 1.498 166 HA ILE 47 HA ILE 47 0.894 -4.522 2.513 167 HB ILE 47 HB ILE 47 -0.083 -2.748 0.271 168 HG12 ILE 47 HG12 ILE 47 -0.906 -2.792 3.185 169 HG13 ILE 47 HG11 ILE 47 0.150 -1.584 2.462 170 HG21 ILE 47 HG21 ILE 47 -2.251 -3.807 0.673 171 HG22 ILE 47 HG22 ILE 47 -1.519 -4.844 1.898 172 HG23 ILE 47 HG23 ILE 47 -1.032 -4.995 0.210 173 HD11 ILE 47 HD11 ILE 47 -1.670 -0.887 0.986 174 HD12 ILE 47 HD12 ILE 47 -2.111 -0.746 2.688 175 HD13 ILE 47 HD13 ILE 47 -2.725 -2.091 1.728 176 H THR 48 HN THR 48 2.593 -3.506 -0.383 177 HA THR 48 HA THR 48 1.896 -5.581 -2.110 178 HB THR 48 HB THR 48 3.930 -5.121 -3.337 179 HG1 THR 48 HG1 THR 48 5.609 -3.998 -2.454 180 HG21 THR 48 HG21 THR 48 2.811 -2.581 -2.148 181 HG22 THR 48 HG22 THR 48 2.118 -3.477 -3.500 182 HG23 THR 48 HG23 THR 48 3.696 -2.711 -3.668 183 H LEU 49 HN LEU 49 3.889 -5.613 0.702 184 HA LEU 49 HA LEU 49 5.441 -7.908 0.075 185 HB2 LEU 49 HB2 LEU 49 4.787 -6.437 2.601 186 HB3 LEU 49 HB1 LEU 49 5.602 -7.987 2.680 187 HG LEU 49 HG LEU 49 7.425 -7.075 1.274 188 HD11 LEU 49 HD11 LEU 49 7.560 -4.645 0.943 189 HD12 LEU 49 HD12 LEU 49 5.924 -4.481 1.579 190 HD13 LEU 49 HD13 LEU 49 6.201 -5.363 0.079 191 HD21 LEU 49 HD21 LEU 49 8.416 -5.673 3.002 192 HD22 LEU 49 HD22 LEU 49 7.603 -7.068 3.711 193 HD23 LEU 49 HD23 LEU 49 6.837 -5.480 3.762 194 H VAL 50 HN VAL 50 2.497 -7.458 2.031 195 HA VAL 50 HA VAL 50 2.195 -10.241 2.568 196 HB VAL 50 HB VAL 50 1.244 -8.392 3.984 197 HG11 VAL 50 HG11 VAL 50 0.306 -6.991 2.273 198 HG12 VAL 50 HG12 VAL 50 -0.984 -7.538 3.342 199 HG13 VAL 50 HG13 VAL 50 -0.779 -8.281 1.756 200 HG21 VAL 50 HG21 VAL 50 -0.649 -10.548 3.048 201 HG22 VAL 50 HG22 VAL 50 -0.801 -9.636 4.550 202 HG23 VAL 50 HG23 VAL 50 0.578 -10.707 4.304 203 H MET 51 HN MET 51 1.259 -8.160 -0.030 204 HA MET 51 HA MET 51 -0.887 -9.670 -1.069 205 HB2 MET 51 HB2 MET 51 1.040 -7.747 -2.368 206 HB3 MET 51 HB1 MET 51 -0.309 -8.476 -3.228 207 HG2 MET 51 HG2 MET 51 -1.878 -7.442 -1.701 208 HG3 MET 51 HG1 MET 51 -0.549 -6.764 -0.764 209 HE1 MET 51 HE1 MET 51 -2.478 -6.709 -4.176 210 HE2 MET 51 HE2 MET 51 -0.829 -7.078 -4.684 211 HE3 MET 51 HE3 MET 51 -1.553 -5.524 -5.097 212 H LEU 52 HN LEU 52 2.590 -9.677 -1.813 213 HA LEU 52 HA LEU 52 2.414 -11.706 -3.791 214 HB2 LEU 52 HB2 LEU 52 4.596 -10.340 -2.313 215 HB3 LEU 52 HB1 LEU 52 4.975 -11.894 -3.028 216 HG LEU 52 HG LEU 52 5.593 -10.028 -4.497 217 HD11 LEU 52 HD11 LEU 52 3.314 -11.692 -5.556 218 HD12 LEU 52 HD12 LEU 52 5.006 -12.180 -5.478 219 HD13 LEU 52 HD13 LEU 52 4.519 -10.848 -6.528 220 HD21 LEU 52 HD21 LEU 52 3.879 -8.431 -3.815 221 HD22 LEU 52 HD22 LEU 52 2.633 -9.440 -4.548 222 HD23 LEU 52 HD23 LEU 52 3.857 -8.674 -5.561 223 H LYS 53 HN LYS 53 2.673 -11.737 -0.327 224 HA LYS 53 HA LYS 53 3.612 -14.396 -0.035 225 HB2 LYS 53 HB2 LYS 53 3.695 -12.677 1.761 226 HB3 LYS 53 HB1 LYS 53 1.945 -12.772 1.898 227 HG2 LYS 53 HG2 LYS 53 2.959 -14.064 3.649 228 HG3 LYS 53 HG1 LYS 53 2.157 -15.152 2.514 229 HD2 LYS 53 HD2 LYS 53 4.299 -15.642 1.454 230 HD3 LYS 53 HD1 LYS 53 5.109 -14.527 2.558 231 HE2 LYS 53 HE2 LYS 53 4.484 -15.912 4.452 232 HE3 LYS 53 HE1 LYS 53 3.591 -16.999 3.389 233 HZ1 LYS 53 HZ1 LYS 53 5.770 -17.883 3.939 234 HZ2 LYS 53 HZ2 LYS 53 6.519 -16.513 3.289 235 HZ3 LYS 53 HZ3 LYS 53 5.659 -17.564 2.281 236 H LYS 54 HN LYS 54 0.518 -13.005 -0.691 237 HA LYS 54 HA LYS 54 -0.928 -15.442 -0.044 238 HB2 LYS 54 HB2 LYS 54 -1.984 -13.308 0.470 239 HB3 LYS 54 HB1 LYS 54 -1.855 -12.811 -1.211 240 HG2 LYS 54 HG2 LYS 54 -3.359 -14.673 -1.835 241 HG3 LYS 54 HG1 LYS 54 -3.545 -15.054 -0.123 242 HD2 LYS 54 HD2 LYS 54 -4.142 -12.312 -1.189 243 HD3 LYS 54 HD1 LYS 54 -5.344 -13.603 -1.252 244 HE2 LYS 54 HE2 LYS 54 -5.780 -12.404 0.734 245 HE3 LYS 54 HE1 LYS 54 -4.976 -13.892 1.230 246 HZ1 LYS 54 HZ1 LYS 54 -3.595 -11.287 0.883 247 HZ2 LYS 54 HZ2 LYS 54 -2.938 -12.707 1.527 248 HZ3 LYS 54 HZ3 LYS 54 -4.150 -11.878 2.369 249 H LYS 55 HN LYS 55 0.334 -13.749 -2.818 250 HA LYS 55 HA LYS 55 -0.581 -15.964 -4.527 251 HB2 LYS 55 HB2 LYS 55 -1.869 -13.874 -4.956 252 HB3 LYS 55 HB1 LYS 55 -0.362 -13.070 -5.372 253 HG2 LYS 55 HG2 LYS 55 -1.468 -13.699 -7.391 254 HG3 LYS 55 HG1 LYS 55 -0.046 -14.726 -7.195 255 HD2 LYS 55 HD2 LYS 55 -1.428 -16.539 -6.375 256 HD3 LYS 55 HD1 LYS 55 -2.860 -15.511 -6.443 257 HE2 LYS 55 HE2 LYS 55 -2.595 -15.319 -8.872 258 HE3 LYS 55 HE1 LYS 55 -1.175 -16.359 -8.797 259 HZ1 LYS 55 HZ1 LYS 55 -2.576 -18.139 -7.943 260 HZ2 LYS 55 HZ2 LYS 55 -3.134 -17.603 -9.447 261 HZ3 LYS 55 HZ3 LYS 55 -3.938 -17.139 -8.033 Start of MODEL 14 1 H1 SER 26 HT1 SER 26 2.084 29.984 -8.287 2 H2 SER 26 HT2 SER 26 3.406 30.966 -7.901 3 H3 SER 26 HT3 SER 26 1.866 31.358 -7.323 4 HA SER 26 HA SER 26 3.390 28.924 -6.603 5 HB2 SER 26 HB2 SER 26 4.416 30.954 -5.669 6 HB3 SER 26 HB1 SER 26 2.860 31.439 -4.998 7 HG SER 26 HG SER 26 3.593 28.903 -4.290 8 H ASN 27 HN ASN 27 1.792 27.434 -6.599 9 HA ASN 27 HA ASN 27 -0.773 28.090 -5.358 10 HB2 ASN 27 HB2 ASN 27 -0.654 26.909 -7.581 11 HB3 ASN 27 HB1 ASN 27 0.024 25.521 -6.737 12 HD21 ASN 27 HD21 ASN 27 -1.275 24.323 -5.353 13 HD22 ASN 27 HD22 ASN 27 -2.999 24.439 -5.384 14 H LYS 28 HN LYS 28 -1.019 27.728 -3.262 15 HA LYS 28 HA LYS 28 0.813 26.170 -1.734 16 HB2 LYS 28 HB2 LYS 28 -1.851 27.386 -0.991 17 HB3 LYS 28 HB1 LYS 28 -0.741 26.646 0.154 18 HG2 LYS 28 HG2 LYS 28 0.936 28.320 -0.348 19 HG3 LYS 28 HG1 LYS 28 -0.120 29.038 -1.565 20 HD2 LYS 28 HD2 LYS 28 -1.740 29.622 0.139 21 HD3 LYS 28 HD1 LYS 28 -0.774 28.812 1.372 22 HE2 LYS 28 HE2 LYS 28 0.093 31.203 -0.250 23 HE3 LYS 28 HE1 LYS 28 -0.479 31.250 1.417 24 HZ1 LYS 28 HZ1 LYS 28 1.931 31.282 1.312 25 HZ2 LYS 28 HZ2 LYS 28 1.944 29.823 0.459 26 HZ3 LYS 28 HZ3 LYS 28 1.395 29.861 2.058 27 H GLY 29 HN GLY 29 -2.424 25.618 -3.004 28 HA2 GLY 29 HA2 GLY 29 -3.062 23.300 -1.559 29 HA3 GLY 29 HA1 GLY 29 -3.707 23.720 -3.137 30 H ALA 30 HN ALA 30 -0.786 23.764 -4.090 31 HA ALA 30 HA ALA 30 -0.762 20.996 -4.928 32 HB1 ALA 30 HB1 ALA 30 1.066 21.667 -6.391 33 HB2 ALA 30 HB2 ALA 30 1.133 23.243 -5.606 34 HB3 ALA 30 HB3 ALA 30 -0.292 22.781 -6.535 35 H ILE 31 HN ILE 31 1.376 23.167 -3.105 36 HA ILE 31 HA ILE 31 3.485 21.423 -2.639 37 HB ILE 31 HB ILE 31 2.442 23.508 -0.720 38 HG12 ILE 31 HG12 ILE 31 4.529 23.786 -2.894 39 HG13 ILE 31 HG11 ILE 31 2.872 24.359 -3.030 40 HG21 ILE 31 HG21 ILE 31 4.738 23.577 0.111 41 HG22 ILE 31 HG22 ILE 31 5.188 22.296 -1.013 42 HG23 ILE 31 HG23 ILE 31 4.045 21.964 0.288 43 HD11 ILE 31 HD11 ILE 31 3.255 25.869 -1.137 44 HD12 ILE 31 HD12 ILE 31 4.360 26.177 -2.477 45 HD13 ILE 31 HD13 ILE 31 4.927 25.312 -1.049 46 H ILE 32 HN ILE 32 0.498 21.867 -0.778 47 HA ILE 32 HA ILE 32 1.120 20.144 1.344 48 HB ILE 32 HB ILE 32 -1.613 20.724 0.195 49 HG12 ILE 32 HG12 ILE 32 -0.419 22.785 0.771 50 HG13 ILE 32 HG11 ILE 32 -1.738 22.495 1.898 51 HG21 ILE 32 HG21 ILE 32 -2.427 20.180 2.447 52 HG22 ILE 32 HG22 ILE 32 -0.788 19.731 2.919 53 HG23 ILE 32 HG23 ILE 32 -1.632 18.806 1.678 54 HD11 ILE 32 HD11 ILE 32 -0.151 21.654 3.546 55 HD12 ILE 32 HD12 ILE 32 0.252 23.295 3.038 56 HD13 ILE 32 HD13 ILE 32 1.173 21.926 2.413 57 H GLY 33 HN GLY 33 -0.288 19.516 -1.829 58 HA2 GLY 33 HA2 GLY 33 -0.940 16.784 -1.270 59 HA3 GLY 33 HA1 GLY 33 -0.915 17.546 -2.854 60 H LEU 34 HN LEU 34 1.911 18.426 -2.431 61 HA LEU 34 HA LEU 34 3.163 16.176 -3.616 62 HB2 LEU 34 HB2 LEU 34 4.335 18.706 -2.464 63 HB3 LEU 34 HB1 LEU 34 5.258 17.515 -3.357 64 HG LEU 34 HG LEU 34 2.939 19.096 -4.472 65 HD11 LEU 34 HD11 LEU 34 5.907 19.395 -4.911 66 HD12 LEU 34 HD12 LEU 34 4.866 20.517 -4.034 67 HD13 LEU 34 HD13 LEU 34 4.643 20.279 -5.768 68 HD21 LEU 34 HD21 LEU 34 4.884 17.209 -5.797 69 HD22 LEU 34 HD22 LEU 34 3.681 18.194 -6.629 70 HD23 LEU 34 HD23 LEU 34 3.166 16.917 -5.526 71 H MET 35 HN MET 35 2.878 17.306 -0.344 72 HA MET 35 HA MET 35 5.003 15.665 0.687 73 HB2 MET 35 HB2 MET 35 2.775 17.149 2.092 74 HB3 MET 35 HB1 MET 35 4.109 16.343 2.905 75 HG2 MET 35 HG2 MET 35 4.345 18.651 0.989 76 HG3 MET 35 HG1 MET 35 4.477 18.740 2.745 77 HE1 MET 35 HE1 MET 35 8.158 19.372 1.516 78 HE2 MET 35 HE2 MET 35 6.825 19.998 2.487 79 HE3 MET 35 HE3 MET 35 6.668 19.901 0.734 80 H VAL 36 HN VAL 36 1.453 15.541 0.719 81 HA VAL 36 HA VAL 36 1.292 13.087 2.139 82 HB VAL 36 HB VAL 36 -0.788 14.224 0.269 83 HG11 VAL 36 HG11 VAL 36 -1.215 11.935 0.974 84 HG12 VAL 36 HG12 VAL 36 -2.366 13.040 1.727 85 HG13 VAL 36 HG13 VAL 36 -1.014 12.402 2.663 86 HG21 VAL 36 HG21 VAL 36 -0.122 15.953 1.830 87 HG22 VAL 36 HG22 VAL 36 -0.316 14.840 3.184 88 HG23 VAL 36 HG23 VAL 36 -1.724 15.347 2.250 89 H GLY 37 HN GLY 37 1.783 13.920 -1.188 90 HA2 GLY 37 HA2 GLY 37 0.957 11.442 -2.330 91 HA3 GLY 37 HA1 GLY 37 1.968 12.655 -3.102 92 H GLY 38 HN GLY 38 3.552 12.153 -0.349 93 HA2 GLY 38 HA2 GLY 38 5.248 10.081 -1.572 94 HA3 GLY 38 HA1 GLY 38 5.790 11.281 -0.409 95 H VAL 39 HN VAL 39 3.670 10.974 1.457 96 HA VAL 39 HA VAL 39 4.651 8.705 2.897 97 HB VAL 39 HB VAL 39 3.995 10.774 4.052 98 HG11 VAL 39 HG11 VAL 39 1.637 11.344 4.341 99 HG12 VAL 39 HG12 VAL 39 1.184 10.034 3.249 100 HG13 VAL 39 HG13 VAL 39 2.110 11.407 2.642 101 HG21 VAL 39 HG21 VAL 39 2.339 8.378 4.833 102 HG22 VAL 39 HG22 VAL 39 2.729 9.743 5.880 103 HG23 VAL 39 HG23 VAL 39 4.013 8.684 5.297 104 H VAL 40 HN VAL 40 1.871 9.382 0.908 105 HA VAL 40 HA VAL 40 0.226 7.255 1.759 106 HB VAL 40 HB VAL 40 -0.586 9.182 0.445 107 HG11 VAL 40 HG11 VAL 40 -0.259 9.197 -1.961 108 HG12 VAL 40 HG12 VAL 40 0.783 7.782 -1.823 109 HG13 VAL 40 HG13 VAL 40 1.276 9.308 -1.100 110 HG21 VAL 40 HG21 VAL 40 -1.121 6.474 -0.772 111 HG22 VAL 40 HG22 VAL 40 -2.138 7.903 -0.964 112 HG23 VAL 40 HG23 VAL 40 -1.945 7.166 0.627 113 H ILE 41 HN ILE 41 2.767 7.508 -0.628 114 HA ILE 41 HA ILE 41 2.349 5.043 -1.927 115 HB ILE 41 HB ILE 41 4.984 6.470 -1.550 116 HG12 ILE 41 HG12 ILE 41 3.302 7.984 -2.487 117 HG13 ILE 41 HG11 ILE 41 4.500 7.560 -3.703 118 HG21 ILE 41 HG21 ILE 41 5.246 4.200 -2.360 119 HG22 ILE 41 HG22 ILE 41 5.606 5.347 -3.650 120 HG23 ILE 41 HG23 ILE 41 4.064 4.493 -3.634 121 HD11 ILE 41 HD11 ILE 41 1.740 6.387 -3.458 122 HD12 ILE 41 HD12 ILE 41 2.940 5.953 -4.675 123 HD13 ILE 41 HD13 ILE 41 2.266 7.584 -4.641 124 H ALA 42 HN ALA 42 4.375 5.938 0.841 125 HA ALA 42 HA ALA 42 5.617 3.453 1.221 126 HB1 ALA 42 HB1 ALA 42 6.119 4.237 3.473 127 HB2 ALA 42 HB2 ALA 42 4.935 5.533 3.298 128 HB3 ALA 42 HB3 ALA 42 6.381 5.520 2.290 129 H THR 43 HN THR 43 2.400 4.472 1.806 130 HA THR 43 HA THR 43 1.823 2.448 3.792 131 HB THR 43 HB THR 43 -0.101 4.220 2.271 132 HG1 THR 43 HG1 THR 43 0.004 5.508 4.182 133 HG21 THR 43 HG21 THR 43 -1.633 3.741 4.126 134 HG22 THR 43 HG22 THR 43 -0.435 2.659 4.836 135 HG23 THR 43 HG23 THR 43 -1.169 2.262 3.282 136 H MET 44 HN MET 44 1.640 2.820 0.341 137 HA MET 44 HA MET 44 -0.084 0.515 -0.010 138 HB2 MET 44 HB2 MET 44 -0.266 2.440 -1.538 139 HB3 MET 44 HB1 MET 44 1.394 2.184 -2.057 140 HG2 MET 44 HG2 MET 44 0.779 0.002 -2.957 141 HG3 MET 44 HG1 MET 44 -0.884 0.255 -2.434 142 HE1 MET 44 HE1 MET 44 -1.080 0.549 -6.352 143 HE2 MET 44 HE2 MET 44 -1.745 -0.253 -4.929 144 HE3 MET 44 HE3 MET 44 -0.067 -0.533 -5.397 145 H ILE 45 HN ILE 45 3.305 1.269 -0.008 146 HA ILE 45 HA ILE 45 4.206 -1.023 -1.427 147 HB ILE 45 HB ILE 45 5.669 0.714 0.563 148 HG12 ILE 45 HG12 ILE 45 5.776 0.711 -2.459 149 HG13 ILE 45 HG11 ILE 45 4.817 1.838 -1.509 150 HG21 ILE 45 HG21 ILE 45 6.732 -1.338 -1.376 151 HG22 ILE 45 HG22 ILE 45 6.745 -1.451 0.384 152 HG23 ILE 45 HG23 ILE 45 7.718 -0.226 -0.426 153 HD11 ILE 45 HD11 ILE 45 6.844 2.716 -0.492 154 HD12 ILE 45 HD12 ILE 45 6.911 2.830 -2.249 155 HD13 ILE 45 HD13 ILE 45 7.812 1.566 -1.413 156 H VAL 46 HN VAL 46 3.924 -0.283 2.043 157 HA VAL 46 HA VAL 46 4.982 -2.652 3.046 158 HB VAL 46 HB VAL 46 3.682 -2.210 5.095 159 HG11 VAL 46 HG11 VAL 46 4.968 0.222 3.859 160 HG12 VAL 46 HG12 VAL 46 5.786 -1.056 4.757 161 HG13 VAL 46 HG13 VAL 46 4.641 0.005 5.578 162 HG21 VAL 46 HG21 VAL 46 1.607 -1.442 4.084 163 HG22 VAL 46 HG22 VAL 46 2.420 -0.004 3.469 164 HG23 VAL 46 HG23 VAL 46 2.230 -0.233 5.206 165 H ILE 47 HN ILE 47 1.883 -2.010 1.614 166 HA ILE 47 HA ILE 47 0.629 -4.404 2.603 167 HB ILE 47 HB ILE 47 -0.230 -2.617 0.322 168 HG12 ILE 47 HG12 ILE 47 -1.147 -2.610 3.206 169 HG13 ILE 47 HG11 ILE 47 -0.015 -1.449 2.519 170 HG21 ILE 47 HG21 ILE 47 -2.439 -3.605 0.668 171 HG22 ILE 47 HG22 ILE 47 -1.777 -4.650 1.924 172 HG23 ILE 47 HG23 ILE 47 -1.246 -4.836 0.253 173 HD11 ILE 47 HD11 ILE 47 -2.867 -1.844 1.645 174 HD12 ILE 47 HD12 ILE 47 -1.733 -0.662 0.991 175 HD13 ILE 47 HD13 ILE 47 -2.267 -0.539 2.668 176 H THR 48 HN THR 48 2.544 -3.495 -0.148 177 HA THR 48 HA THR 48 1.814 -5.641 -1.855 178 HB THR 48 HB THR 48 4.405 -4.077 -1.821 179 HG1 THR 48 HG1 THR 48 1.852 -3.574 -2.919 180 HG21 THR 48 HG21 THR 48 3.091 -5.702 -4.004 181 HG22 THR 48 HG22 THR 48 4.561 -6.130 -3.130 182 HG23 THR 48 HG23 THR 48 4.544 -4.722 -4.190 183 H LEU 49 HN LEU 49 4.174 -5.267 0.710 184 HA LEU 49 HA LEU 49 5.731 -7.547 0.174 185 HB2 LEU 49 HB2 LEU 49 5.227 -5.892 2.613 186 HB3 LEU 49 HB1 LEU 49 6.134 -7.386 2.751 187 HG LEU 49 HG LEU 49 7.745 -6.505 1.063 188 HD11 LEU 49 HD11 LEU 49 6.215 -3.936 1.434 189 HD12 LEU 49 HD12 LEU 49 6.256 -4.908 -0.037 190 HD13 LEU 49 HD13 LEU 49 7.726 -4.126 0.547 191 HD21 LEU 49 HD21 LEU 49 7.350 -4.833 3.541 192 HD22 LEU 49 HD22 LEU 49 8.836 -4.937 2.597 193 HD23 LEU 49 HD23 LEU 49 8.226 -6.360 3.440 194 H VAL 50 HN VAL 50 3.001 -7.106 2.428 195 HA VAL 50 HA VAL 50 2.938 -9.748 3.354 196 HB VAL 50 HB VAL 50 1.766 -7.896 4.475 197 HG11 VAL 50 HG11 VAL 50 -0.122 -8.115 2.142 198 HG12 VAL 50 HG12 VAL 50 0.857 -6.722 2.596 199 HG13 VAL 50 HG13 VAL 50 -0.473 -7.240 3.630 200 HG21 VAL 50 HG21 VAL 50 1.175 -10.191 5.016 201 HG22 VAL 50 HG22 VAL 50 -0.001 -10.217 3.702 202 HG23 VAL 50 HG23 VAL 50 -0.249 -9.157 5.089 203 H MET 51 HN MET 51 1.542 -8.282 0.492 204 HA MET 51 HA MET 51 -0.264 -10.323 -0.179 205 HB2 MET 51 HB2 MET 51 1.210 -8.308 -1.864 206 HB3 MET 51 HB1 MET 51 0.040 -9.432 -2.542 207 HG2 MET 51 HG2 MET 51 -1.701 -8.512 -1.134 208 HG3 MET 51 HG1 MET 51 -0.537 -7.428 -0.373 209 HE1 MET 51 HE1 MET 51 -0.862 -8.457 -4.166 210 HE2 MET 51 HE2 MET 51 -1.861 -7.143 -4.784 211 HE3 MET 51 HE3 MET 51 -2.534 -8.294 -3.628 212 H LEU 52 HN LEU 52 3.177 -9.932 -0.850 213 HA LEU 52 HA LEU 52 3.414 -12.090 -2.656 214 HB2 LEU 52 HB2 LEU 52 5.283 -10.429 -1.063 215 HB3 LEU 52 HB1 LEU 52 5.886 -11.974 -1.627 216 HG LEU 52 HG LEU 52 6.484 -10.160 -3.156 217 HD11 LEU 52 HD11 LEU 52 4.467 -12.080 -4.310 218 HD12 LEU 52 HD12 LEU 52 6.185 -12.391 -4.066 219 HD13 LEU 52 HD13 LEU 52 5.667 -11.171 -5.229 220 HD21 LEU 52 HD21 LEU 52 3.505 -9.813 -3.458 221 HD22 LEU 52 HD22 LEU 52 4.722 -9.064 -4.492 222 HD23 LEU 52 HD23 LEU 52 4.644 -8.648 -2.781 223 H LYS 53 HN LYS 53 4.192 -11.886 0.821 224 HA LYS 53 HA LYS 53 4.814 -14.630 1.089 225 HB2 LYS 53 HB2 LYS 53 4.545 -14.208 3.542 226 HB3 LYS 53 HB1 LYS 53 5.640 -13.096 2.733 227 HG2 LYS 53 HG2 LYS 53 3.890 -11.399 2.681 228 HG3 LYS 53 HG1 LYS 53 2.779 -12.516 3.474 229 HD2 LYS 53 HD2 LYS 53 3.688 -10.997 5.113 230 HD3 LYS 53 HD1 LYS 53 4.323 -12.617 5.406 231 HE2 LYS 53 HE2 LYS 53 6.063 -10.903 5.620 232 HE3 LYS 53 HE1 LYS 53 6.406 -12.025 4.303 233 HZ1 LYS 53 HZ1 LYS 53 5.225 -9.316 3.998 234 HZ2 LYS 53 HZ2 LYS 53 5.571 -10.388 2.737 235 HZ3 LYS 53 HZ3 LYS 53 6.829 -9.734 3.659 236 H LYS 54 HN LYS 54 1.852 -12.997 0.773 237 HA LYS 54 HA LYS 54 0.287 -15.048 2.111 238 HB2 LYS 54 HB2 LYS 54 -0.463 -12.753 2.332 239 HB3 LYS 54 HB1 LYS 54 -0.517 -12.563 0.587 240 HG2 LYS 54 HG2 LYS 54 -2.746 -12.831 1.401 241 HG3 LYS 54 HG1 LYS 54 -2.303 -14.283 0.504 242 HD2 LYS 54 HD2 LYS 54 -1.804 -15.424 2.622 243 HD3 LYS 54 HD1 LYS 54 -2.274 -13.971 3.508 244 HE2 LYS 54 HE2 LYS 54 -4.049 -15.640 1.728 245 HE3 LYS 54 HE1 LYS 54 -4.092 -15.582 3.489 246 HZ1 LYS 54 HZ1 LYS 54 -4.718 -13.255 3.366 247 HZ2 LYS 54 HZ2 LYS 54 -5.821 -14.208 2.508 248 HZ3 LYS 54 HZ3 LYS 54 -4.662 -13.299 1.676 249 H LYS 55 HN LYS 55 1.383 -14.211 -1.055 250 HA LYS 55 HA LYS 55 -0.548 -15.562 -2.598 251 HB2 LYS 55 HB2 LYS 55 1.088 -13.917 -3.493 252 HB3 LYS 55 HB1 LYS 55 2.365 -15.100 -3.260 253 HG2 LYS 55 HG2 LYS 55 1.280 -16.597 -4.850 254 HG3 LYS 55 HG1 LYS 55 -0.016 -15.421 -5.076 255 HD2 LYS 55 HD2 LYS 55 1.682 -13.787 -5.865 256 HD3 LYS 55 HD1 LYS 55 2.903 -15.055 -5.751 257 HE2 LYS 55 HE2 LYS 55 0.441 -15.112 -7.491 258 HE3 LYS 55 HE1 LYS 55 2.090 -14.810 -8.041 259 HZ1 LYS 55 HZ1 LYS 55 2.697 -17.035 -7.293 260 HZ2 LYS 55 HZ2 LYS 55 1.451 -17.095 -8.437 261 HZ3 LYS 55 HZ3 LYS 55 1.104 -17.321 -6.798 Start of MODEL 15 1 H1 SER 26 HT1 SER 26 15.265 30.758 1.125 2 H2 SER 26 HT2 SER 26 14.082 30.871 -0.078 3 H3 SER 26 HT3 SER 26 15.680 30.504 -0.495 4 HA SER 26 HA SER 26 14.248 28.549 -0.566 5 HB2 SER 26 HB2 SER 26 15.697 27.101 0.824 6 HB3 SER 26 HB1 SER 26 16.635 28.268 -0.107 7 HG SER 26 HG SER 26 15.894 28.534 2.621 8 H ASN 27 HN ASN 27 12.371 27.827 0.147 9 HA ASN 27 HA ASN 27 11.587 28.397 2.919 10 HB2 ASN 27 HB2 ASN 27 9.907 27.654 0.514 11 HB3 ASN 27 HB1 ASN 27 9.274 27.931 2.134 12 HD21 ASN 27 HD21 ASN 27 7.995 29.632 1.461 13 HD22 ASN 27 HD22 ASN 27 8.651 31.173 1.035 14 H LYS 28 HN LYS 28 11.821 26.802 4.320 15 HA LYS 28 HA LYS 28 12.315 24.115 3.563 16 HB2 LYS 28 HB2 LYS 28 12.246 23.634 5.971 17 HB3 LYS 28 HB1 LYS 28 13.228 25.051 5.623 18 HG2 LYS 28 HG2 LYS 28 11.456 26.514 6.352 19 HG3 LYS 28 HG1 LYS 28 10.377 25.139 6.586 20 HD2 LYS 28 HD2 LYS 28 11.904 24.256 8.301 21 HD3 LYS 28 HD1 LYS 28 12.940 25.669 8.087 22 HE2 LYS 28 HE2 LYS 28 11.125 27.126 8.802 23 HE3 LYS 28 HE1 LYS 28 10.054 25.735 8.964 24 HZ1 LYS 28 HZ1 LYS 28 10.963 26.427 11.099 25 HZ2 LYS 28 HZ2 LYS 28 12.538 26.182 10.530 26 HZ3 LYS 28 HZ3 LYS 28 11.486 24.869 10.698 27 H GLY 29 HN GLY 29 9.434 25.897 4.244 28 HA2 GLY 29 HA2 GLY 29 7.724 23.810 5.034 29 HA3 GLY 29 HA1 GLY 29 7.216 25.305 4.265 30 H ALA 30 HN ALA 30 9.163 24.435 2.002 31 HA ALA 30 HA ALA 30 7.114 23.141 0.433 32 HB1 ALA 30 HB1 ALA 30 9.915 23.952 -0.340 33 HB2 ALA 30 HB2 ALA 30 8.468 24.946 -0.521 34 HB3 ALA 30 HB3 ALA 30 8.633 23.451 -1.443 35 H ILE 31 HN ILE 31 9.900 22.196 2.213 36 HA ILE 31 HA ILE 31 10.405 19.760 0.783 37 HB ILE 31 HB ILE 31 11.299 20.553 3.558 38 HG12 ILE 31 HG12 ILE 31 12.765 20.781 0.919 39 HG13 ILE 31 HG11 ILE 31 12.018 22.128 1.770 40 HG21 ILE 31 HG21 ILE 31 13.047 18.860 3.228 41 HG22 ILE 31 HG22 ILE 31 12.319 18.422 1.683 42 HG23 ILE 31 HG23 ILE 31 11.433 18.155 3.185 43 HD11 ILE 31 HD11 ILE 31 14.300 20.439 2.767 44 HD12 ILE 31 HD12 ILE 31 13.537 21.756 3.659 45 HD13 ILE 31 HD13 ILE 31 14.402 22.090 2.158 46 H ILE 32 HN ILE 32 8.851 20.580 3.876 47 HA ILE 32 HA ILE 32 8.196 17.947 4.618 48 HB ILE 32 HB ILE 32 6.894 20.569 5.366 49 HG12 ILE 32 HG12 ILE 32 8.044 19.961 7.590 50 HG13 ILE 32 HG11 ILE 32 8.970 18.800 6.645 51 HG21 ILE 32 HG21 ILE 32 5.860 19.316 7.236 52 HG22 ILE 32 HG22 ILE 32 6.408 17.815 6.491 53 HG23 ILE 32 HG23 ILE 32 5.245 18.843 5.653 54 HD11 ILE 32 HD11 ILE 32 8.887 21.773 6.190 55 HD12 ILE 32 HD12 ILE 32 9.832 20.608 5.261 56 HD13 ILE 32 HD13 ILE 32 10.192 20.874 6.965 57 H GLY 33 HN GLY 33 6.521 20.334 2.642 58 HA2 GLY 33 HA2 GLY 33 4.017 19.114 2.458 59 HA3 GLY 33 HA1 GLY 33 4.728 20.142 1.222 60 H LEU 34 HN LEU 34 6.990 18.458 0.689 61 HA LEU 34 HA LEU 34 5.801 16.702 -1.210 62 HB2 LEU 34 HB2 LEU 34 8.669 16.980 -0.304 63 HB3 LEU 34 HB1 LEU 34 8.145 16.014 -1.671 64 HG LEU 34 HG LEU 34 7.761 19.000 -1.461 65 HD11 LEU 34 HD11 LEU 34 9.577 19.155 -3.098 66 HD12 LEU 34 HD12 LEU 34 9.844 17.418 -2.959 67 HD13 LEU 34 HD13 LEU 34 10.127 18.467 -1.571 68 HD21 LEU 34 HD21 LEU 34 7.275 18.832 -3.860 69 HD22 LEU 34 HD22 LEU 34 6.126 17.907 -2.893 70 HD23 LEU 34 HD23 LEU 34 7.419 17.077 -3.760 71 H MET 35 HN MET 35 6.870 16.358 2.049 72 HA MET 35 HA MET 35 7.174 13.495 1.955 73 HB2 MET 35 HB2 MET 35 6.923 15.319 4.354 74 HB3 MET 35 HB1 MET 35 7.468 13.647 4.373 75 HG2 MET 35 HG2 MET 35 8.863 15.945 3.021 76 HG3 MET 35 HG1 MET 35 9.332 15.196 4.544 77 HE1 MET 35 HE1 MET 35 12.154 14.069 2.052 78 HE2 MET 35 HE2 MET 35 11.809 14.861 3.588 79 HE3 MET 35 HE3 MET 35 11.309 15.617 2.077 80 H VAL 36 HN VAL 36 4.629 15.766 2.617 81 HA VAL 36 HA VAL 36 2.878 14.139 4.079 82 HB VAL 36 HB VAL 36 2.109 16.284 2.093 83 HG11 VAL 36 HG11 VAL 36 0.106 16.523 3.487 84 HG12 VAL 36 HG12 VAL 36 0.650 15.177 4.489 85 HG13 VAL 36 HG13 VAL 36 0.232 14.904 2.797 86 HG21 VAL 36 HG21 VAL 36 3.723 17.168 3.665 87 HG22 VAL 36 HG22 VAL 36 2.806 16.509 5.019 88 HG23 VAL 36 HG23 VAL 36 2.121 17.804 4.037 89 H GLY 37 HN GLY 37 3.394 14.474 0.604 90 HA2 GLY 37 HA2 GLY 37 1.208 12.703 -0.057 91 HA3 GLY 37 HA1 GLY 37 2.374 13.390 -1.179 92 H GLY 38 HN GLY 38 4.573 12.365 0.651 93 HA2 GLY 38 HA2 GLY 38 5.031 9.936 -0.755 94 HA3 GLY 38 HA1 GLY 38 6.013 10.578 0.552 95 H VAL 39 HN VAL 39 3.654 10.640 2.380 96 HA VAL 39 HA VAL 39 4.018 8.070 3.514 97 HB VAL 39 HB VAL 39 3.434 10.171 4.784 98 HG11 VAL 39 HG11 VAL 39 1.557 10.800 3.238 99 HG12 VAL 39 HG12 VAL 39 1.177 10.889 4.958 100 HG13 VAL 39 HG13 VAL 39 0.601 9.527 3.997 101 HG21 VAL 39 HG21 VAL 39 2.080 8.989 6.454 102 HG22 VAL 39 HG22 VAL 39 3.388 7.980 5.836 103 HG23 VAL 39 HG23 VAL 39 1.735 7.728 5.272 104 H VAL 40 HN VAL 40 1.720 9.360 1.261 105 HA VAL 40 HA VAL 40 -0.333 7.439 1.637 106 HB VAL 40 HB VAL 40 0.293 9.010 -0.865 107 HG11 VAL 40 HG11 VAL 40 -2.250 7.681 0.066 108 HG12 VAL 40 HG12 VAL 40 -1.225 7.154 -1.269 109 HG13 VAL 40 HG13 VAL 40 -2.088 8.689 -1.372 110 HG21 VAL 40 HG21 VAL 40 -1.492 9.712 1.464 111 HG22 VAL 40 HG22 VAL 40 -1.359 10.626 -0.039 112 HG23 VAL 40 HG23 VAL 40 0.029 10.498 1.041 113 H ILE 41 HN ILE 41 2.555 7.551 -0.367 114 HA ILE 41 HA ILE 41 1.879 5.125 -1.783 115 HB ILE 41 HB ILE 41 4.385 6.808 -1.757 116 HG12 ILE 41 HG12 ILE 41 3.641 7.105 -4.203 117 HG13 ILE 41 HG11 ILE 41 2.093 6.449 -3.681 118 HG21 ILE 41 HG21 ILE 41 5.142 5.420 -3.655 119 HG22 ILE 41 HG22 ILE 41 3.791 4.327 -3.361 120 HG23 ILE 41 HG23 ILE 41 5.050 4.522 -2.142 121 HD11 ILE 41 HD11 ILE 41 2.121 8.899 -3.743 122 HD12 ILE 41 HD12 ILE 41 3.405 8.901 -2.534 123 HD13 ILE 41 HD13 ILE 41 1.810 8.270 -2.126 124 H ALA 42 HN ALA 42 4.047 6.096 0.829 125 HA ALA 42 HA ALA 42 5.486 3.719 1.102 126 HB1 ALA 42 HB1 ALA 42 6.010 4.476 3.353 127 HB2 ALA 42 HB2 ALA 42 4.708 5.661 3.274 128 HB3 ALA 42 HB3 ALA 42 6.106 5.815 2.210 129 H THR 43 HN THR 43 2.225 4.471 1.938 130 HA THR 43 HA THR 43 1.919 2.335 3.846 131 HB THR 43 HB THR 43 -0.215 3.964 2.450 132 HG1 THR 43 HG1 THR 43 -0.112 5.288 4.248 133 HG21 THR 43 HG21 THR 43 -1.632 3.272 4.341 134 HG22 THR 43 HG22 THR 43 -0.323 2.253 4.938 135 HG23 THR 43 HG23 THR 43 -1.087 1.888 3.391 136 H MET 44 HN MET 44 1.507 2.766 0.414 137 HA MET 44 HA MET 44 0.007 0.307 0.097 138 HB2 MET 44 HB2 MET 44 1.182 2.190 -1.956 139 HB3 MET 44 HB1 MET 44 0.150 0.815 -2.323 140 HG2 MET 44 HG2 MET 44 -1.655 1.851 -1.007 141 HG3 MET 44 HG1 MET 44 -0.617 3.250 -0.727 142 HE1 MET 44 HE1 MET 44 0.195 4.899 -2.651 143 HE2 MET 44 HE2 MET 44 -0.186 4.668 -4.359 144 HE3 MET 44 HE3 MET 44 0.871 3.526 -3.528 145 H ILE 45 HN ILE 45 3.256 1.175 0.381 146 HA ILE 45 HA ILE 45 4.299 -0.949 -1.292 147 HB ILE 45 HB ILE 45 5.698 0.930 0.617 148 HG12 ILE 45 HG12 ILE 45 5.669 0.887 -2.410 149 HG13 ILE 45 HG11 ILE 45 4.665 1.948 -1.425 150 HG21 ILE 45 HG21 ILE 45 6.969 -1.112 0.432 151 HG22 ILE 45 HG22 ILE 45 7.776 0.161 -0.484 152 HG23 ILE 45 HG23 ILE 45 6.840 -1.074 -1.326 153 HD11 ILE 45 HD11 ILE 45 6.629 3.101 -2.274 154 HD12 ILE 45 HD12 ILE 45 7.674 1.924 -1.476 155 HD13 ILE 45 HD13 ILE 45 6.662 2.999 -0.512 156 H VAL 46 HN VAL 46 3.883 -0.282 2.152 157 HA VAL 46 HA VAL 46 5.274 -2.557 3.098 158 HB VAL 46 HB VAL 46 4.135 -2.155 5.236 159 HG11 VAL 46 HG11 VAL 46 4.963 0.119 5.622 160 HG12 VAL 46 HG12 VAL 46 5.086 0.366 3.881 161 HG13 VAL 46 HG13 VAL 46 6.103 -0.835 4.674 162 HG21 VAL 46 HG21 VAL 46 2.537 -0.306 5.457 163 HG22 VAL 46 HG22 VAL 46 1.926 -1.574 4.394 164 HG23 VAL 46 HG23 VAL 46 2.565 -0.082 3.707 165 H ILE 47 HN ILE 47 2.056 -2.091 1.881 166 HA ILE 47 HA ILE 47 1.012 -4.550 2.965 167 HB ILE 47 HB ILE 47 -0.150 -2.784 0.807 168 HG12 ILE 47 HG12 ILE 47 -0.761 -2.828 3.771 169 HG13 ILE 47 HG11 ILE 47 0.250 -1.621 2.982 170 HG21 ILE 47 HG21 ILE 47 -1.413 -4.915 2.532 171 HG22 ILE 47 HG22 ILE 47 -1.100 -5.016 0.798 172 HG23 ILE 47 HG23 ILE 47 -2.278 -3.858 1.414 173 HD11 ILE 47 HD11 ILE 47 -2.666 -2.114 2.432 174 HD12 ILE 47 HD12 ILE 47 -1.657 -0.906 1.638 175 HD13 ILE 47 HD13 ILE 47 -1.992 -0.781 3.364 176 H THR 48 HN THR 48 2.641 -3.532 0.084 177 HA THR 48 HA THR 48 1.847 -5.483 -1.736 178 HB THR 48 HB THR 48 4.609 -4.278 -1.481 179 HG1 THR 48 HG1 THR 48 3.228 -2.584 -1.736 180 HG21 THR 48 HG21 THR 48 3.181 -5.501 -3.847 181 HG22 THR 48 HG22 THR 48 4.546 -6.206 -2.978 182 HG23 THR 48 HG23 THR 48 4.760 -4.714 -3.894 183 H LEU 49 HN LEU 49 4.525 -5.558 0.605 184 HA LEU 49 HA LEU 49 5.550 -8.066 -0.064 185 HB2 LEU 49 HB2 LEU 49 5.553 -6.492 2.495 186 HB3 LEU 49 HB1 LEU 49 6.308 -8.071 2.398 187 HG LEU 49 HG LEU 49 7.977 -6.340 2.145 188 HD11 LEU 49 HD11 LEU 49 8.305 -8.401 0.892 189 HD12 LEU 49 HD12 LEU 49 8.967 -7.018 0.022 190 HD13 LEU 49 HD13 LEU 49 7.429 -7.719 -0.478 191 HD21 LEU 49 HD21 LEU 49 6.531 -4.559 1.306 192 HD22 LEU 49 HD22 LEU 49 6.381 -5.403 -0.235 193 HD23 LEU 49 HD23 LEU 49 7.946 -4.777 0.278 194 H VAL 50 HN VAL 50 2.782 -7.183 1.869 195 HA VAL 50 HA VAL 50 2.422 -9.694 3.146 196 HB VAL 50 HB VAL 50 0.301 -7.629 2.544 197 HG11 VAL 50 HG11 VAL 50 -0.825 -8.566 4.502 198 HG12 VAL 50 HG12 VAL 50 0.463 -9.757 4.676 199 HG13 VAL 50 HG13 VAL 50 -0.580 -9.790 3.256 200 HG21 VAL 50 HG21 VAL 50 2.145 -7.837 4.921 201 HG22 VAL 50 HG22 VAL 50 0.796 -6.715 4.764 202 HG23 VAL 50 HG23 VAL 50 2.180 -6.585 3.682 203 H MET 51 HN MET 51 1.486 -8.391 0.048 204 HA MET 51 HA MET 51 -0.539 -10.234 -0.607 205 HB2 MET 51 HB2 MET 51 1.358 -8.844 -2.505 206 HB3 MET 51 HB1 MET 51 -0.218 -9.517 -2.902 207 HG2 MET 51 HG2 MET 51 0.295 -7.199 -1.051 208 HG3 MET 51 HG1 MET 51 -0.292 -7.091 -2.710 209 HE1 MET 51 HE1 MET 51 -3.826 -8.712 -2.469 210 HE2 MET 51 HE2 MET 51 -2.309 -9.470 -2.951 211 HE3 MET 51 HE3 MET 51 -2.690 -7.837 -3.494 212 H LEU 52 HN LEU 52 2.939 -10.435 -0.697 213 HA LEU 52 HA LEU 52 3.092 -12.717 -2.397 214 HB2 LEU 52 HB2 LEU 52 5.030 -11.437 -0.484 215 HB3 LEU 52 HB1 LEU 52 5.422 -12.910 -1.351 216 HG LEU 52 HG LEU 52 4.946 -11.625 -3.491 217 HD11 LEU 52 HD11 LEU 52 5.114 -9.193 -3.362 218 HD12 LEU 52 HD12 LEU 52 5.113 -9.285 -1.601 219 HD13 LEU 52 HD13 LEU 52 3.689 -9.786 -2.510 220 HD21 LEU 52 HD21 LEU 52 7.200 -12.170 -2.749 221 HD22 LEU 52 HD22 LEU 52 7.229 -10.724 -1.741 222 HD23 LEU 52 HD23 LEU 52 7.152 -10.573 -3.496 223 H LYS 53 HN LYS 53 2.990 -12.234 1.097 224 HA LYS 53 HA LYS 53 3.496 -14.880 1.877 225 HB2 LYS 53 HB2 LYS 53 1.795 -12.804 3.268 226 HB3 LYS 53 HB1 LYS 53 2.448 -14.260 4.010 227 HG2 LYS 53 HG2 LYS 53 4.708 -13.445 3.682 228 HG3 LYS 53 HG1 LYS 53 4.088 -12.008 2.868 229 HD2 LYS 53 HD2 LYS 53 2.917 -11.358 4.923 230 HD3 LYS 53 HD1 LYS 53 3.552 -12.790 5.734 231 HE2 LYS 53 HE2 LYS 53 5.200 -10.546 4.572 232 HE3 LYS 53 HE1 LYS 53 4.844 -10.780 6.283 233 HZ1 LYS 53 HZ1 LYS 53 6.355 -12.674 4.563 234 HZ2 LYS 53 HZ2 LYS 53 6.026 -12.880 6.209 235 HZ3 LYS 53 HZ3 LYS 53 7.033 -11.622 5.701 236 H LYS 54 HN LYS 54 0.588 -13.275 0.790 237 HA LYS 54 HA LYS 54 -1.157 -15.453 1.512 238 HB2 LYS 54 HB2 LYS 54 -1.659 -13.052 -0.258 239 HB3 LYS 54 HB1 LYS 54 -2.887 -14.161 0.338 240 HG2 LYS 54 HG2 LYS 54 -2.385 -13.486 2.634 241 HG3 LYS 54 HG1 LYS 54 -1.156 -12.369 2.032 242 HD2 LYS 54 HD2 LYS 54 -2.901 -11.170 0.770 243 HD3 LYS 54 HD1 LYS 54 -4.115 -12.264 1.436 244 HE2 LYS 54 HE2 LYS 54 -2.345 -10.402 3.017 245 HE3 LYS 54 HE1 LYS 54 -4.053 -10.153 2.664 246 HZ1 LYS 54 HZ1 LYS 54 -3.739 -11.041 4.882 247 HZ2 LYS 54 HZ2 LYS 54 -2.923 -12.385 4.264 248 HZ3 LYS 54 HZ3 LYS 54 -4.562 -12.159 3.915 249 H LYS 55 HN LYS 55 0.489 -14.304 -1.369 250 HA LYS 55 HA LYS 55 -0.810 -16.193 -3.113 251 HB2 LYS 55 HB2 LYS 55 -0.067 -14.032 -3.976 252 HB3 LYS 55 HB1 LYS 55 1.595 -14.412 -3.547 253 HG2 LYS 55 HG2 LYS 55 1.575 -16.264 -5.155 254 HG3 LYS 55 HG1 LYS 55 -0.080 -15.843 -5.599 255 HD2 LYS 55 HD2 LYS 55 0.667 -13.651 -6.357 256 HD3 LYS 55 HD1 LYS 55 2.319 -14.033 -5.871 257 HE2 LYS 55 HE2 LYS 55 2.033 -14.325 -8.270 258 HE3 LYS 55 HE1 LYS 55 2.367 -15.868 -7.487 259 HZ1 LYS 55 HZ1 LYS 55 -0.311 -14.891 -8.321 260 HZ2 LYS 55 HZ2 LYS 55 0.000 -16.367 -7.554 261 HZ3 LYS 55 HZ3 LYS 55 0.601 -16.079 -9.110 Start of MODEL 16 1 H1 SER 26 HT1 SER 26 -6.223 31.371 4.150 2 H2 SER 26 HT2 SER 26 -6.033 32.780 5.066 3 H3 SER 26 HT3 SER 26 -7.404 31.813 5.279 4 HA SER 26 HA SER 26 -4.613 31.060 5.919 5 HB2 SER 26 HB2 SER 26 -6.983 31.648 7.713 6 HB3 SER 26 HB1 SER 26 -5.411 31.068 8.263 7 HG SER 26 HG SER 26 -6.193 33.580 7.671 8 H ASN 27 HN ASN 27 -4.591 29.066 4.949 9 HA ASN 27 HA ASN 27 -6.576 27.127 5.944 10 HB2 ASN 27 HB2 ASN 27 -5.157 27.154 3.272 11 HB3 ASN 27 HB1 ASN 27 -6.198 25.853 3.844 12 HD21 ASN 27 HD21 ASN 27 -8.413 26.185 3.973 13 HD22 ASN 27 HD22 ASN 27 -9.194 27.496 3.165 14 H LYS 28 HN LYS 28 -5.450 26.306 7.652 15 HA LYS 28 HA LYS 28 -2.672 25.639 7.500 16 HB2 LYS 28 HB2 LYS 28 -4.749 24.833 9.544 17 HB3 LYS 28 HB1 LYS 28 -3.009 24.656 9.727 18 HG2 LYS 28 HG2 LYS 28 -4.412 27.293 9.364 19 HG3 LYS 28 HG1 LYS 28 -3.961 26.606 10.926 20 HD2 LYS 28 HD2 LYS 28 -1.617 26.635 10.287 21 HD3 LYS 28 HD1 LYS 28 -2.040 27.239 8.683 22 HE2 LYS 28 HE2 LYS 28 -2.961 29.271 9.706 23 HE3 LYS 28 HE1 LYS 28 -2.517 28.665 11.301 24 HZ1 LYS 28 HZ1 LYS 28 -0.885 30.235 10.455 25 HZ2 LYS 28 HZ2 LYS 28 -0.618 29.264 9.096 26 HZ3 LYS 28 HZ3 LYS 28 -0.198 28.698 10.634 27 H GLY 29 HN GLY 29 -5.701 23.889 7.161 28 HA2 GLY 29 HA2 GLY 29 -4.597 21.278 7.189 29 HA3 GLY 29 HA1 GLY 29 -6.161 21.728 6.526 30 H ALA 30 HN ALA 30 -4.618 23.745 4.799 31 HA ALA 30 HA ALA 30 -4.480 22.131 2.477 32 HB1 ALA 30 HB1 ALA 30 -3.395 24.911 2.916 33 HB2 ALA 30 HB2 ALA 30 -5.037 24.516 2.408 34 HB3 ALA 30 HB3 ALA 30 -3.673 24.137 1.356 35 H ILE 31 HN ILE 31 -2.099 23.211 4.796 36 HA ILE 31 HA ILE 31 0.145 22.346 3.182 37 HB ILE 31 HB ILE 31 0.084 23.220 6.075 38 HG12 ILE 31 HG12 ILE 31 0.847 24.811 3.617 39 HG13 ILE 31 HG11 ILE 31 -0.705 24.940 4.437 40 HG21 ILE 31 HG21 ILE 31 2.049 21.885 5.535 41 HG22 ILE 31 HG22 ILE 31 2.492 23.572 5.790 42 HG23 ILE 31 HG23 ILE 31 2.391 22.927 4.152 43 HD11 ILE 31 HD11 ILE 31 0.772 26.745 5.082 44 HD12 ILE 31 HD12 ILE 31 1.984 25.583 5.622 45 HD13 ILE 31 HD13 ILE 31 0.436 25.697 6.460 46 H ILE 32 HN ILE 32 -1.566 21.266 6.085 47 HA ILE 32 HA ILE 32 0.082 19.087 6.720 48 HB ILE 32 HB ILE 32 -2.892 19.324 7.200 49 HG12 ILE 32 HG12 ILE 32 -1.692 21.281 8.062 50 HG13 ILE 32 HG11 ILE 32 -2.281 20.278 9.382 51 HG21 ILE 32 HG21 ILE 32 -2.086 17.072 7.559 52 HG22 ILE 32 HG22 ILE 32 -2.454 17.830 9.109 53 HG23 ILE 32 HG23 ILE 32 -0.779 17.674 8.581 54 HD11 ILE 32 HD11 ILE 32 -0.040 21.107 9.821 55 HD12 ILE 32 HD12 ILE 32 0.543 20.338 8.345 56 HD13 ILE 32 HD13 ILE 32 -0.050 19.349 9.680 57 H GLY 33 HN GLY 33 -2.511 19.452 4.400 58 HA2 GLY 33 HA2 GLY 33 -2.945 16.691 3.899 59 HA3 GLY 33 HA1 GLY 33 -3.409 18.016 2.844 60 H LEU 34 HN LEU 34 -0.737 19.065 2.523 61 HA LEU 34 HA LEU 34 0.084 17.543 0.297 62 HB2 LEU 34 HB2 LEU 34 1.574 19.662 1.850 63 HB3 LEU 34 HB1 LEU 34 2.081 19.021 0.300 64 HG LEU 34 HG LEU 34 -0.509 20.501 0.769 65 HD11 LEU 34 HD11 LEU 34 2.074 21.452 -0.462 66 HD12 LEU 34 HD12 LEU 34 1.412 21.966 1.090 67 HD13 LEU 34 HD13 LEU 34 0.562 22.356 -0.405 68 HD21 LEU 34 HD21 LEU 34 -0.599 20.596 -1.677 69 HD22 LEU 34 HD22 LEU 34 -0.615 18.933 -1.092 70 HD23 LEU 34 HD23 LEU 34 0.865 19.616 -1.767 71 H MET 35 HN MET 35 0.993 17.482 3.658 72 HA MET 35 HA MET 35 3.393 15.968 3.303 73 HB2 MET 35 HB2 MET 35 1.674 16.382 5.756 74 HB3 MET 35 HB1 MET 35 3.270 15.644 5.754 75 HG2 MET 35 HG2 MET 35 2.636 18.470 4.937 76 HG3 MET 35 HG1 MET 35 3.351 17.968 6.470 77 HE1 MET 35 HE1 MET 35 6.342 19.734 4.655 78 HE2 MET 35 HE2 MET 35 5.342 19.685 6.107 79 HE3 MET 35 HE3 MET 35 4.641 20.193 4.571 80 H VAL 36 HN VAL 36 0.028 15.215 3.527 81 HA VAL 36 HA VAL 36 0.296 12.500 4.346 82 HB VAL 36 HB VAL 36 -1.988 13.749 2.815 83 HG11 VAL 36 HG11 VAL 36 -2.046 11.320 2.823 84 HG12 VAL 36 HG12 VAL 36 -3.325 11.970 3.847 85 HG13 VAL 36 HG13 VAL 36 -1.864 11.304 4.577 86 HG21 VAL 36 HG21 VAL 36 -1.529 13.571 5.788 87 HG22 VAL 36 HG22 VAL 36 -3.027 14.096 5.022 88 HG23 VAL 36 HG23 VAL 36 -1.554 15.041 4.814 89 H GLY 37 HN GLY 37 0.342 14.160 1.265 90 HA2 GLY 37 HA2 GLY 37 -0.087 11.964 -0.433 91 HA3 GLY 37 HA1 GLY 37 0.778 13.431 -0.866 92 H GLY 38 HN GLY 38 2.484 12.493 1.670 93 HA2 GLY 38 HA2 GLY 38 4.371 10.987 -0.004 94 HA3 GLY 38 HA1 GLY 38 4.785 11.895 1.441 95 H VAL 39 HN VAL 39 2.666 10.823 3.077 96 HA VAL 39 HA VAL 39 3.973 8.435 3.947 97 HB VAL 39 HB VAL 39 2.976 9.978 5.561 98 HG11 VAL 39 HG11 VAL 39 0.538 10.102 5.828 99 HG12 VAL 39 HG12 VAL 39 0.339 9.134 4.367 100 HG13 VAL 39 HG13 VAL 39 1.067 10.737 4.271 101 HG21 VAL 39 HG21 VAL 39 1.820 8.330 6.958 102 HG22 VAL 39 HG22 VAL 39 3.256 7.643 6.198 103 HG23 VAL 39 HG23 VAL 39 1.655 7.265 5.560 104 H VAL 40 HN VAL 40 1.056 9.155 2.136 105 HA VAL 40 HA VAL 40 -0.200 6.653 2.302 106 HB VAL 40 HB VAL 40 -0.273 8.679 0.058 107 HG11 VAL 40 HG11 VAL 40 -2.076 6.322 0.606 108 HG12 VAL 40 HG12 VAL 40 -0.996 6.523 -0.773 109 HG13 VAL 40 HG13 VAL 40 -2.392 7.584 -0.586 110 HG21 VAL 40 HG21 VAL 40 -1.026 9.487 2.277 111 HG22 VAL 40 HG22 VAL 40 -2.230 8.200 2.302 112 HG23 VAL 40 HG23 VAL 40 -2.315 9.462 1.073 113 H ILE 41 HN ILE 41 2.347 7.852 0.190 114 HA ILE 41 HA ILE 41 2.364 5.771 -1.685 115 HB ILE 41 HB ILE 41 4.662 7.466 -0.723 116 HG12 ILE 41 HG12 ILE 41 2.635 7.738 -2.945 117 HG13 ILE 41 HG11 ILE 41 2.961 8.865 -1.631 118 HG21 ILE 41 HG21 ILE 41 5.793 6.823 -2.778 119 HG22 ILE 41 HG22 ILE 41 4.432 5.797 -3.229 120 HG23 ILE 41 HG23 ILE 41 5.414 5.391 -1.821 121 HD11 ILE 41 HD11 ILE 41 5.165 9.322 -2.619 122 HD12 ILE 41 HD12 ILE 41 3.828 9.727 -3.696 123 HD13 ILE 41 HD13 ILE 41 4.756 8.250 -3.959 124 H ALA 42 HN ALA 42 3.960 6.104 1.447 125 HA ALA 42 HA ALA 42 5.416 3.642 1.213 126 HB1 ALA 42 HB1 ALA 42 6.260 5.485 2.576 127 HB2 ALA 42 HB2 ALA 42 6.032 4.030 3.548 128 HB3 ALA 42 HB3 ALA 42 4.860 5.346 3.640 129 H THR 43 HN THR 43 2.228 4.486 2.070 130 HA THR 43 HA THR 43 1.727 2.258 3.817 131 HB THR 43 HB THR 43 -0.286 4.024 2.413 132 HG1 THR 43 HG1 THR 43 0.303 5.500 3.802 133 HG21 THR 43 HG21 THR 43 -1.240 1.957 3.299 134 HG22 THR 43 HG22 THR 43 -1.775 3.345 4.246 135 HG23 THR 43 HG23 THR 43 -0.515 2.283 4.872 136 H MET 44 HN MET 44 1.609 2.854 0.406 137 HA MET 44 HA MET 44 -0.051 0.541 -0.146 138 HB2 MET 44 HB2 MET 44 -0.295 2.510 -1.553 139 HB3 MET 44 HB1 MET 44 1.407 2.441 -1.990 140 HG2 MET 44 HG2 MET 44 0.007 1.586 -3.775 141 HG3 MET 44 HG1 MET 44 1.046 0.321 -3.122 142 HE1 MET 44 HE1 MET 44 -0.419 -1.592 -4.254 143 HE2 MET 44 HE2 MET 44 -1.404 -0.323 -4.982 144 HE3 MET 44 HE3 MET 44 -2.178 -1.660 -4.132 145 H ILE 45 HN ILE 45 3.343 1.470 -0.402 146 HA ILE 45 HA ILE 45 4.274 -0.733 -1.851 147 HB ILE 45 HB ILE 45 5.734 0.890 0.238 148 HG12 ILE 45 HG12 ILE 45 5.726 1.145 -2.779 149 HG13 ILE 45 HG11 ILE 45 4.795 2.170 -1.694 150 HG21 ILE 45 HG21 ILE 45 6.794 -0.964 -1.893 151 HG22 ILE 45 HG22 ILE 45 6.873 -1.211 -0.151 152 HG23 ILE 45 HG23 ILE 45 7.779 0.104 -0.895 153 HD11 ILE 45 HD11 ILE 45 7.795 1.952 -1.781 154 HD12 ILE 45 HD12 ILE 45 6.869 2.974 -0.683 155 HD13 ILE 45 HD13 ILE 45 6.823 3.278 -2.420 156 H VAL 46 HN VAL 46 3.790 -0.316 1.631 157 HA VAL 46 HA VAL 46 5.033 -2.722 2.426 158 HB VAL 46 HB VAL 46 3.813 -2.464 4.546 159 HG11 VAL 46 HG11 VAL 46 4.720 -0.247 5.152 160 HG12 VAL 46 HG12 VAL 46 5.005 0.075 3.442 161 HG13 VAL 46 HG13 VAL 46 5.868 -1.234 4.248 162 HG21 VAL 46 HG21 VAL 46 2.311 -0.557 4.876 163 HG22 VAL 46 HG22 VAL 46 1.681 -1.673 3.664 164 HG23 VAL 46 HG23 VAL 46 2.439 -0.162 3.162 165 H ILE 47 HN ILE 47 1.917 -2.063 1.071 166 HA ILE 47 HA ILE 47 0.516 -4.320 2.025 167 HB ILE 47 HB ILE 47 0.077 -2.896 -0.601 168 HG12 ILE 47 HG12 ILE 47 0.092 -1.300 1.259 169 HG13 ILE 47 HG11 ILE 47 -1.536 -1.499 0.619 170 HG21 ILE 47 HG21 ILE 47 -1.099 -5.018 -0.442 171 HG22 ILE 47 HG22 ILE 47 -2.236 -3.672 -0.355 172 HG23 ILE 47 HG23 ILE 47 -1.782 -4.540 1.113 173 HD11 ILE 47 HD11 ILE 47 -0.450 -2.751 3.132 174 HD12 ILE 47 HD12 ILE 47 -2.074 -2.989 2.487 175 HD13 ILE 47 HD13 ILE 47 -1.566 -1.391 3.034 176 H THR 48 HN THR 48 2.711 -3.872 -0.681 177 HA THR 48 HA THR 48 2.083 -6.273 -2.044 178 HB THR 48 HB THR 48 4.195 -5.973 -3.237 179 HG1 THR 48 HG1 THR 48 5.556 -4.205 -2.607 180 HG21 THR 48 HG21 THR 48 2.740 -3.366 -2.776 181 HG22 THR 48 HG22 THR 48 2.281 -4.621 -3.927 182 HG23 THR 48 HG23 THR 48 3.788 -3.729 -4.147 183 H LEU 49 HN LEU 49 4.017 -5.597 0.748 184 HA LEU 49 HA LEU 49 5.574 -8.004 0.608 185 HB2 LEU 49 HB2 LEU 49 5.145 -5.943 2.754 186 HB3 LEU 49 HB1 LEU 49 6.098 -7.388 3.034 187 HG LEU 49 HG LEU 49 7.516 -6.667 1.040 188 HD11 LEU 49 HD11 LEU 49 7.493 -4.279 0.521 189 HD12 LEU 49 HD12 LEU 49 6.078 -4.068 1.553 190 HD13 LEU 49 HD13 LEU 49 5.965 -5.049 0.092 191 HD21 LEU 49 HD21 LEU 49 8.824 -5.106 2.406 192 HD22 LEU 49 HD22 LEU 49 8.293 -6.508 3.335 193 HD23 LEU 49 HD23 LEU 49 7.470 -4.961 3.526 194 H VAL 50 HN VAL 50 2.791 -6.943 2.558 195 HA VAL 50 HA VAL 50 2.559 -9.320 4.050 196 HB VAL 50 HB VAL 50 1.498 -7.209 4.729 197 HG11 VAL 50 HG11 VAL 50 0.742 -6.426 2.570 198 HG12 VAL 50 HG12 VAL 50 -0.620 -6.526 3.686 199 HG13 VAL 50 HG13 VAL 50 -0.393 -7.769 2.454 200 HG21 VAL 50 HG21 VAL 50 0.717 -9.281 5.712 201 HG22 VAL 50 HG22 VAL 50 -0.405 -9.522 4.373 202 HG23 VAL 50 HG23 VAL 50 -0.639 -8.176 5.488 203 H MET 51 HN MET 51 1.280 -8.386 0.914 204 HA MET 51 HA MET 51 -0.635 -10.427 0.635 205 HB2 MET 51 HB2 MET 51 0.950 -8.877 -1.413 206 HB3 MET 51 HB1 MET 51 -0.307 -10.026 -1.846 207 HG2 MET 51 HG2 MET 51 -0.695 -7.582 -0.139 208 HG3 MET 51 HG1 MET 51 -1.108 -7.715 -1.847 209 HE1 MET 51 HE1 MET 51 -3.596 -6.896 -1.283 210 HE2 MET 51 HE2 MET 51 -3.143 -6.768 0.416 211 HE3 MET 51 HE3 MET 51 -4.601 -7.646 -0.045 212 H LEU 52 HN LEU 52 2.826 -10.368 0.076 213 HA LEU 52 HA LEU 52 2.928 -12.886 -1.271 214 HB2 LEU 52 HB2 LEU 52 5.115 -11.347 0.131 215 HB3 LEU 52 HB1 LEU 52 5.356 -12.719 -0.935 216 HG LEU 52 HG LEU 52 4.118 -10.106 -1.802 217 HD11 LEU 52 HD11 LEU 52 6.446 -9.787 -1.135 218 HD12 LEU 52 HD12 LEU 52 6.248 -9.637 -2.882 219 HD13 LEU 52 HD13 LEU 52 6.934 -11.112 -2.195 220 HD21 LEU 52 HD21 LEU 52 4.499 -10.958 -4.053 221 HD22 LEU 52 HD22 LEU 52 3.452 -12.043 -3.138 222 HD23 LEU 52 HD23 LEU 52 5.147 -12.457 -3.386 223 H LYS 53 HN LYS 53 2.785 -11.888 2.016 224 HA LYS 53 HA LYS 53 3.891 -14.332 3.090 225 HB2 LYS 53 HB2 LYS 53 2.448 -12.045 4.441 226 HB3 LYS 53 HB1 LYS 53 3.232 -13.380 5.277 227 HG2 LYS 53 HG2 LYS 53 5.387 -12.699 4.357 228 HG3 LYS 53 HG1 LYS 53 4.603 -11.364 3.508 229 HD2 LYS 53 HD2 LYS 53 3.891 -10.426 5.659 230 HD3 LYS 53 HD1 LYS 53 4.694 -11.754 6.499 231 HE2 LYS 53 HE2 LYS 53 6.842 -11.042 5.572 232 HE3 LYS 53 HE1 LYS 53 6.041 -9.721 4.722 233 HZ1 LYS 53 HZ1 LYS 53 5.397 -8.781 6.846 234 HZ2 LYS 53 HZ2 LYS 53 7.077 -8.975 6.780 235 HZ3 LYS 53 HZ3 LYS 53 6.136 -10.061 7.673 236 H LYS 54 HN LYS 54 0.839 -13.255 1.995 237 HA LYS 54 HA LYS 54 -0.634 -15.198 3.594 238 HB2 LYS 54 HB2 LYS 54 -1.521 -13.111 1.601 239 HB3 LYS 54 HB1 LYS 54 -2.625 -14.262 2.344 240 HG2 LYS 54 HG2 LYS 54 -1.902 -13.386 4.573 241 HG3 LYS 54 HG1 LYS 54 -1.015 -12.123 3.716 242 HD2 LYS 54 HD2 LYS 54 -3.967 -12.626 3.366 243 HD3 LYS 54 HD1 LYS 54 -3.302 -11.463 4.515 244 HE2 LYS 54 HE2 LYS 54 -2.801 -11.423 1.541 245 HE3 LYS 54 HE1 LYS 54 -4.011 -10.443 2.367 246 HZ1 LYS 54 HZ1 LYS 54 -2.240 -9.401 3.642 247 HZ2 LYS 54 HZ2 LYS 54 -1.981 -9.198 1.983 248 HZ3 LYS 54 HZ3 LYS 54 -1.080 -10.340 2.845 249 H LYS 55 HN LYS 55 1.237 -15.450 0.978 250 HA LYS 55 HA LYS 55 -0.217 -16.652 -1.033 251 HB2 LYS 55 HB2 LYS 55 1.861 -17.854 -1.627 252 HB3 LYS 55 HB1 LYS 55 2.128 -16.147 -1.312 253 HG2 LYS 55 HG2 LYS 55 3.006 -16.662 0.889 254 HG3 LYS 55 HG1 LYS 55 2.679 -18.377 0.634 255 HD2 LYS 55 HD2 LYS 55 4.235 -18.372 -1.273 256 HD3 LYS 55 HD1 LYS 55 4.582 -16.670 -0.968 257 HE2 LYS 55 HE2 LYS 55 5.463 -17.225 1.230 258 HE3 LYS 55 HE1 LYS 55 5.068 -18.924 0.974 259 HZ1 LYS 55 HZ1 LYS 55 6.635 -18.986 -0.853 260 HZ2 LYS 55 HZ2 LYS 55 7.408 -18.464 0.557 261 HZ3 LYS 55 HZ3 LYS 55 6.996 -17.346 -0.644 Start of MODEL 17 1 H1 SER 26 HT1 SER 26 19.193 20.485 0.605 2 H2 SER 26 HT2 SER 26 20.362 20.513 1.827 3 H3 SER 26 HT3 SER 26 19.251 21.780 1.691 4 HA SER 26 HA SER 26 17.438 20.339 2.258 5 HB2 SER 26 HB2 SER 26 19.584 18.216 2.510 6 HB3 SER 26 HB1 SER 26 17.892 18.013 2.961 7 HG SER 26 HG SER 26 19.074 17.998 0.475 8 H ASN 27 HN ASN 27 17.048 21.466 4.055 9 HA ASN 27 HA ASN 27 19.032 21.758 6.128 10 HB2 ASN 27 HB2 ASN 27 16.147 22.670 6.013 11 HB3 ASN 27 HB1 ASN 27 17.304 23.118 7.264 12 HD21 ASN 27 HD21 ASN 27 17.103 25.297 6.785 13 HD22 ASN 27 HD22 ASN 27 17.797 25.997 5.366 14 H LYS 28 HN LYS 28 18.159 21.489 8.487 15 HA LYS 28 HA LYS 28 17.829 18.745 8.951 16 HB2 LYS 28 HB2 LYS 28 17.253 21.063 10.806 17 HB3 LYS 28 HB1 LYS 28 17.405 19.382 11.300 18 HG2 LYS 28 HG2 LYS 28 19.734 19.393 10.457 19 HG3 LYS 28 HG1 LYS 28 19.560 21.113 10.110 20 HD2 LYS 28 HD2 LYS 28 19.107 21.539 12.482 21 HD3 LYS 28 HD1 LYS 28 19.290 19.818 12.824 22 HE2 LYS 28 HE2 LYS 28 21.609 19.928 12.003 23 HE3 LYS 28 HE1 LYS 28 21.417 21.659 11.733 24 HZ1 LYS 28 HZ1 LYS 28 21.213 20.282 14.357 25 HZ2 LYS 28 HZ2 LYS 28 21.016 21.940 14.104 26 HZ3 LYS 28 HZ3 LYS 28 22.520 21.219 13.829 27 H GLY 29 HN GLY 29 15.470 21.401 9.200 28 HA2 GLY 29 HA2 GLY 29 13.289 19.653 9.812 29 HA3 GLY 29 HA1 GLY 29 13.171 21.353 9.384 30 H ALA 30 HN ALA 30 14.814 20.622 6.894 31 HA ALA 30 HA ALA 30 12.614 20.370 5.129 32 HB1 ALA 30 HB1 ALA 30 15.553 20.019 4.557 33 HB2 ALA 30 HB2 ALA 30 14.673 21.547 4.519 34 HB3 ALA 30 HB3 ALA 30 14.286 20.276 3.359 35 H ILE 31 HN ILE 31 14.802 18.088 6.583 36 HA ILE 31 HA ILE 31 14.281 15.910 4.827 37 HB ILE 31 HB ILE 31 15.248 15.830 7.690 38 HG12 ILE 31 HG12 ILE 31 16.854 15.817 5.124 39 HG13 ILE 31 HG11 ILE 31 16.640 17.229 6.154 40 HG21 ILE 31 HG21 ILE 31 15.414 13.786 5.480 41 HG22 ILE 31 HG22 ILE 31 14.432 13.676 6.939 42 HG23 ILE 31 HG23 ILE 31 16.191 13.647 7.057 43 HD11 ILE 31 HD11 ILE 31 17.961 14.652 6.970 44 HD12 ILE 31 HD12 ILE 31 17.777 16.089 7.974 45 HD13 ILE 31 HD13 ILE 31 18.788 16.145 6.530 46 H ILE 32 HN ILE 32 12.820 17.081 7.800 47 HA ILE 32 HA ILE 32 11.221 14.843 8.384 48 HB ILE 32 HB ILE 32 10.605 17.738 8.987 49 HG12 ILE 32 HG12 ILE 32 12.829 17.120 9.803 50 HG13 ILE 32 HG11 ILE 32 11.712 17.334 11.146 51 HG21 ILE 32 HG21 ILE 32 9.323 16.809 10.878 52 HG22 ILE 32 HG22 ILE 32 9.637 15.185 10.263 53 HG23 ILE 32 HG23 ILE 32 8.678 16.319 9.311 54 HD11 ILE 32 HD11 ILE 32 11.470 14.915 11.331 55 HD12 ILE 32 HD12 ILE 32 13.155 15.410 11.487 56 HD13 ILE 32 HD13 ILE 32 12.581 14.698 9.979 57 H GLY 33 HN GLY 33 10.819 17.502 6.153 58 HA2 GLY 33 HA2 GLY 33 8.041 17.170 5.675 59 HA3 GLY 33 HA1 GLY 33 9.178 18.002 4.623 60 H LEU 34 HN LEU 34 10.852 15.501 4.509 61 HA LEU 34 HA LEU 34 9.563 14.376 2.202 62 HB2 LEU 34 HB2 LEU 34 12.109 13.568 3.610 63 HB3 LEU 34 HB1 LEU 34 11.580 12.968 2.049 64 HG LEU 34 HG LEU 34 12.262 15.848 2.648 65 HD11 LEU 34 HD11 LEU 34 13.828 13.740 1.168 66 HD12 LEU 34 HD12 LEU 34 14.231 14.415 2.748 67 HD13 LEU 34 HD13 LEU 34 14.265 15.441 1.315 68 HD21 LEU 34 HD21 LEU 34 11.612 14.437 0.062 69 HD22 LEU 34 HD22 LEU 34 12.182 16.101 0.201 70 HD23 LEU 34 HD23 LEU 34 10.617 15.644 0.878 71 H MET 35 HN MET 35 9.832 13.581 5.551 72 HA MET 35 HA MET 35 9.209 10.800 5.290 73 HB2 MET 35 HB2 MET 35 9.013 12.640 7.682 74 HB3 MET 35 HB1 MET 35 8.859 10.890 7.738 75 HG2 MET 35 HG2 MET 35 11.157 10.671 6.914 76 HG3 MET 35 HG1 MET 35 11.306 12.426 6.896 77 HE1 MET 35 HE1 MET 35 13.574 11.347 9.917 78 HE2 MET 35 HE2 MET 35 13.510 12.238 8.396 79 HE3 MET 35 HE3 MET 35 13.342 10.483 8.397 80 H VAL 36 HN VAL 36 7.381 13.755 5.721 81 HA VAL 36 HA VAL 36 4.901 12.535 6.375 82 HB VAL 36 HB VAL 36 5.361 15.235 5.095 83 HG11 VAL 36 HG11 VAL 36 3.029 14.146 6.668 84 HG12 VAL 36 HG12 VAL 36 3.052 14.500 4.940 85 HG13 VAL 36 HG13 VAL 36 3.199 15.810 6.112 86 HG21 VAL 36 HG21 VAL 36 6.642 15.039 7.149 87 HG22 VAL 36 HG22 VAL 36 5.211 14.472 8.011 88 HG23 VAL 36 HG23 VAL 36 5.271 16.121 7.385 89 H GLY 37 HN GLY 37 6.316 13.705 3.336 90 HA2 GLY 37 HA2 GLY 37 4.018 12.882 1.794 91 HA3 GLY 37 HA1 GLY 37 5.520 13.538 1.162 92 H GLY 38 HN GLY 38 6.745 11.307 3.031 93 HA2 GLY 38 HA2 GLY 38 6.869 9.350 0.865 94 HA3 GLY 38 HA1 GLY 38 7.937 9.428 2.257 95 H VAL 39 HN VAL 39 5.668 9.628 4.143 96 HA VAL 39 HA VAL 39 5.320 6.851 4.609 97 HB VAL 39 HB VAL 39 5.367 8.504 6.435 98 HG11 VAL 39 HG11 VAL 39 2.681 9.349 5.362 99 HG12 VAL 39 HG12 VAL 39 4.157 10.315 5.383 100 HG13 VAL 39 HG13 VAL 39 3.374 9.867 6.898 101 HG21 VAL 39 HG21 VAL 39 4.359 6.326 6.834 102 HG22 VAL 39 HG22 VAL 39 2.799 6.929 6.276 103 HG23 VAL 39 HG23 VAL 39 3.517 7.575 7.752 104 H VAL 40 HN VAL 40 3.489 9.233 2.888 105 HA VAL 40 HA VAL 40 0.967 7.938 2.923 106 HB VAL 40 HB VAL 40 2.069 9.821 0.832 107 HG11 VAL 40 HG11 VAL 40 -0.297 10.306 0.367 108 HG12 VAL 40 HG12 VAL 40 -0.768 9.050 1.512 109 HG13 VAL 40 HG13 VAL 40 0.113 8.621 0.045 110 HG21 VAL 40 HG21 VAL 40 0.472 10.405 3.326 111 HG22 VAL 40 HG22 VAL 40 0.911 11.581 2.087 112 HG23 VAL 40 HG23 VAL 40 2.168 10.810 3.057 113 H ILE 41 HN ILE 41 3.590 7.985 0.517 114 HA ILE 41 HA ILE 41 2.296 6.103 -1.205 115 HB ILE 41 HB ILE 41 5.123 7.156 -1.130 116 HG12 ILE 41 HG12 ILE 41 4.337 8.159 -3.346 117 HG13 ILE 41 HG11 ILE 41 2.711 7.692 -2.861 118 HG21 ILE 41 HG21 ILE 41 3.882 5.255 -3.110 119 HG22 ILE 41 HG22 ILE 41 5.243 4.931 -2.040 120 HG23 ILE 41 HG23 ILE 41 5.411 6.097 -3.352 121 HD11 ILE 41 HD11 ILE 41 4.522 9.541 -1.328 122 HD12 ILE 41 HD12 ILE 41 2.862 9.116 -0.909 123 HD13 ILE 41 HD13 ILE 41 3.193 10.035 -2.377 124 H ALA 42 HN ALA 42 4.685 5.911 1.361 125 HA ALA 42 HA ALA 42 5.577 3.286 0.916 126 HB1 ALA 42 HB1 ALA 42 5.387 4.779 3.530 127 HB2 ALA 42 HB2 ALA 42 6.732 4.858 2.389 128 HB3 ALA 42 HB3 ALA 42 6.367 3.346 3.221 129 H THR 43 HN THR 43 2.627 4.505 2.224 130 HA THR 43 HA THR 43 1.860 2.316 3.823 131 HB THR 43 HB THR 43 0.070 4.213 2.288 132 HG1 THR 43 HG1 THR 43 0.367 5.585 3.908 133 HG21 THR 43 HG21 THR 43 -1.605 3.647 3.998 134 HG22 THR 43 HG22 THR 43 -0.492 2.464 4.687 135 HG23 THR 43 HG23 THR 43 -1.128 2.232 3.057 136 H MET 44 HN MET 44 1.854 2.811 0.388 137 HA MET 44 HA MET 44 0.070 0.596 -0.146 138 HB2 MET 44 HB2 MET 44 0.048 2.534 -1.629 139 HB3 MET 44 HB1 MET 44 1.749 2.291 -2.002 140 HG2 MET 44 HG2 MET 44 0.366 1.484 -3.807 141 HG3 MET 44 HG1 MET 44 1.213 0.144 -3.040 142 HE1 MET 44 HE1 MET 44 -2.209 1.986 -3.509 143 HE2 MET 44 HE2 MET 44 -1.972 2.090 -1.763 144 HE3 MET 44 HE3 MET 44 -3.262 1.083 -2.420 145 H ILE 45 HN ILE 45 3.530 1.243 -0.208 146 HA ILE 45 HA ILE 45 4.333 -1.106 -1.536 147 HB ILE 45 HB ILE 45 5.871 0.510 0.501 148 HG12 ILE 45 HG12 ILE 45 5.906 0.658 -2.523 149 HG13 ILE 45 HG11 ILE 45 5.058 1.793 -1.480 150 HG21 ILE 45 HG21 ILE 45 6.835 -1.466 -1.566 151 HG22 ILE 45 HG22 ILE 45 6.831 -1.703 0.181 152 HG23 ILE 45 HG23 ILE 45 7.866 -0.470 -0.538 153 HD11 ILE 45 HD11 ILE 45 7.198 2.440 -0.473 154 HD12 ILE 45 HD12 ILE 45 7.161 2.721 -2.214 155 HD13 ILE 45 HD13 ILE 45 8.030 1.330 -1.564 156 H VAL 46 HN VAL 46 4.034 -0.374 1.932 157 HA VAL 46 HA VAL 46 4.986 -2.795 2.929 158 HB VAL 46 HB VAL 46 3.728 -2.304 4.978 159 HG11 VAL 46 HG11 VAL 46 5.033 0.119 3.742 160 HG12 VAL 46 HG12 VAL 46 5.855 -1.188 4.597 161 HG13 VAL 46 HG13 VAL 46 4.743 -0.129 5.464 162 HG21 VAL 46 HG21 VAL 46 2.495 -0.070 3.367 163 HG22 VAL 46 HG22 VAL 46 2.312 -0.307 5.106 164 HG23 VAL 46 HG23 VAL 46 1.660 -1.497 3.982 165 H ILE 47 HN ILE 47 1.967 -2.049 1.412 166 HA ILE 47 HA ILE 47 0.553 -4.335 2.433 167 HB ILE 47 HB ILE 47 -0.118 -2.532 0.103 168 HG12 ILE 47 HG12 ILE 47 -1.187 -2.522 2.934 169 HG13 ILE 47 HG11 ILE 47 0.031 -1.407 2.328 170 HG21 ILE 47 HG21 ILE 47 -1.809 -4.545 1.580 171 HG22 ILE 47 HG22 ILE 47 -1.245 -4.671 -0.085 172 HG23 ILE 47 HG23 ILE 47 -2.400 -3.416 0.359 173 HD11 ILE 47 HD11 ILE 47 -2.173 -0.385 2.369 174 HD12 ILE 47 HD12 ILE 47 -2.791 -1.655 1.311 175 HD13 ILE 47 HD13 ILE 47 -1.572 -0.528 0.716 176 H THR 48 HN THR 48 2.634 -3.687 -0.273 177 HA THR 48 HA THR 48 1.782 -5.941 -1.834 178 HB THR 48 HB THR 48 3.641 -5.468 -3.291 179 HG1 THR 48 HG1 THR 48 5.310 -5.021 -1.902 180 HG21 THR 48 HG21 THR 48 2.444 -2.891 -2.268 181 HG22 THR 48 HG22 THR 48 1.714 -3.967 -3.460 182 HG23 THR 48 HG23 THR 48 3.215 -3.118 -3.837 183 H LEU 49 HN LEU 49 4.093 -5.398 0.705 184 HA LEU 49 HA LEU 49 5.609 -7.786 0.212 185 HB2 LEU 49 HB2 LEU 49 5.521 -5.770 2.432 186 HB3 LEU 49 HB1 LEU 49 6.405 -7.269 2.633 187 HG LEU 49 HG LEU 49 7.915 -5.498 1.971 188 HD11 LEU 49 HD11 LEU 49 8.390 -7.749 1.162 189 HD12 LEU 49 HD12 LEU 49 8.931 -6.526 0.012 190 HD13 LEU 49 HD13 LEU 49 7.447 -7.430 -0.293 191 HD21 LEU 49 HD21 LEU 49 7.715 -4.387 -0.197 192 HD22 LEU 49 HD22 LEU 49 6.325 -4.046 0.833 193 HD23 LEU 49 HD23 LEU 49 6.184 -5.214 -0.481 194 H VAL 50 HN VAL 50 2.831 -6.921 2.157 195 HA VAL 50 HA VAL 50 2.881 -9.371 3.672 196 HB VAL 50 HB VAL 50 1.985 -7.388 4.730 197 HG11 VAL 50 HG11 VAL 50 -0.123 -7.444 2.579 198 HG12 VAL 50 HG12 VAL 50 1.159 -6.247 2.752 199 HG13 VAL 50 HG13 VAL 50 -0.106 -6.367 3.975 200 HG21 VAL 50 HG21 VAL 50 -0.174 -9.429 4.201 201 HG22 VAL 50 HG22 VAL 50 -0.146 -8.281 5.540 202 HG23 VAL 50 HG23 VAL 50 1.082 -9.541 5.432 203 H MET 51 HN MET 51 1.109 -8.102 0.893 204 HA MET 51 HA MET 51 -0.747 -10.241 0.718 205 HB2 MET 51 HB2 MET 51 0.189 -8.157 -1.242 206 HB3 MET 51 HB1 MET 51 -0.959 -9.406 -1.703 207 HG2 MET 51 HG2 MET 51 -2.467 -8.647 0.086 208 HG3 MET 51 HG1 MET 51 -1.325 -7.361 0.472 209 HE1 MET 51 HE1 MET 51 -3.475 -5.770 0.257 210 HE2 MET 51 HE2 MET 51 -4.532 -7.036 -0.366 211 HE3 MET 51 HE3 MET 51 -4.364 -5.517 -1.245 212 H LEU 52 HN LEU 52 2.294 -9.571 -1.007 213 HA LEU 52 HA LEU 52 2.266 -11.884 -2.601 214 HB2 LEU 52 HB2 LEU 52 4.320 -9.909 -1.765 215 HB3 LEU 52 HB1 LEU 52 4.896 -11.437 -2.401 216 HG LEU 52 HG LEU 52 4.767 -9.672 -4.121 217 HD11 LEU 52 HD11 LEU 52 3.618 -10.985 -5.811 218 HD12 LEU 52 HD12 LEU 52 2.821 -11.931 -4.553 219 HD13 LEU 52 HD13 LEU 52 4.571 -12.024 -4.751 220 HD21 LEU 52 HD21 LEU 52 2.557 -8.954 -4.934 221 HD22 LEU 52 HD22 LEU 52 2.877 -8.411 -3.287 222 HD23 LEU 52 HD23 LEU 52 1.804 -9.781 -3.570 223 H LYS 53 HN LYS 53 2.995 -11.418 0.731 224 HA LYS 53 HA LYS 53 4.604 -13.754 1.076 225 HB2 LYS 53 HB2 LYS 53 4.733 -11.878 2.643 226 HB3 LYS 53 HB1 LYS 53 3.050 -12.126 3.097 227 HG2 LYS 53 HG2 LYS 53 4.502 -13.036 4.789 228 HG3 LYS 53 HG1 LYS 53 3.637 -14.345 3.981 229 HD2 LYS 53 HD2 LYS 53 5.616 -14.778 2.592 230 HD3 LYS 53 HD1 LYS 53 6.478 -13.488 3.432 231 HE2 LYS 53 HE2 LYS 53 7.076 -15.684 4.322 232 HE3 LYS 53 HE1 LYS 53 6.265 -14.695 5.535 233 HZ1 LYS 53 HZ1 LYS 53 5.445 -16.971 5.536 234 HZ2 LYS 53 HZ2 LYS 53 4.981 -16.830 3.915 235 HZ3 LYS 53 HZ3 LYS 53 4.217 -15.893 5.099 236 H LYS 54 HN LYS 54 1.181 -13.041 1.208 237 HA LYS 54 HA LYS 54 0.486 -15.613 2.321 238 HB2 LYS 54 HB2 LYS 54 -1.007 -13.185 1.453 239 HB3 LYS 54 HB1 LYS 54 -1.879 -14.710 1.496 240 HG2 LYS 54 HG2 LYS 54 -2.221 -13.579 3.569 241 HG3 LYS 54 HG1 LYS 54 -1.188 -14.977 3.865 242 HD2 LYS 54 HD2 LYS 54 0.785 -13.487 3.789 243 HD3 LYS 54 HD1 LYS 54 -0.298 -12.107 3.596 244 HE2 LYS 54 HE2 LYS 54 -1.347 -12.649 5.751 245 HE3 LYS 54 HE1 LYS 54 -0.231 -14.000 5.945 246 HZ1 LYS 54 HZ1 LYS 54 0.544 -12.098 7.175 247 HZ2 LYS 54 HZ2 LYS 54 0.506 -11.128 5.791 248 HZ3 LYS 54 HZ3 LYS 54 1.611 -12.406 5.896 249 H LYS 55 HN LYS 55 0.816 -14.182 -0.827 250 HA LYS 55 HA LYS 55 -0.597 -16.322 -2.169 251 HB2 LYS 55 HB2 LYS 55 1.048 -14.039 -3.279 252 HB3 LYS 55 HB1 LYS 55 0.091 -15.159 -4.240 253 HG2 LYS 55 HG2 LYS 55 -1.942 -14.374 -3.124 254 HG3 LYS 55 HG1 LYS 55 -0.974 -13.241 -2.175 255 HD2 LYS 55 HD2 LYS 55 -1.947 -12.048 -4.016 256 HD3 LYS 55 HD1 LYS 55 -0.216 -12.204 -4.310 257 HE2 LYS 55 HE2 LYS 55 -0.631 -14.085 -5.811 258 HE3 LYS 55 HE1 LYS 55 -2.363 -13.955 -5.503 259 HZ1 LYS 55 HZ1 LYS 55 -2.318 -11.729 -6.467 260 HZ2 LYS 55 HZ2 LYS 55 -1.776 -12.887 -7.576 261 HZ3 LYS 55 HZ3 LYS 55 -0.665 -11.883 -6.789 Start of MODEL 18 1 H1 SER 26 HT1 SER 26 -1.690 23.420 23.323 2 H2 SER 26 HT2 SER 26 -0.224 24.137 23.774 3 H3 SER 26 HT3 SER 26 -0.560 22.542 24.225 4 HA SER 26 HA SER 26 -0.224 23.499 21.444 5 HB2 SER 26 HB2 SER 26 1.900 23.537 22.659 6 HB3 SER 26 HB1 SER 26 1.636 21.879 23.203 7 HG SER 26 HG SER 26 2.021 22.777 20.538 8 H ASN 27 HN ASN 27 -1.270 22.259 20.052 9 HA ASN 27 HA ASN 27 -2.331 19.696 20.874 10 HB2 ASN 27 HB2 ASN 27 -3.720 21.249 19.567 11 HB3 ASN 27 HB1 ASN 27 -2.567 21.168 18.240 12 HD21 ASN 27 HD21 ASN 27 -3.448 18.416 20.204 13 HD22 ASN 27 HD22 ASN 27 -4.309 17.566 18.972 14 H LYS 28 HN LYS 28 -1.455 17.777 20.461 15 HA LYS 28 HA LYS 28 1.035 17.617 19.017 16 HB2 LYS 28 HB2 LYS 28 1.032 15.261 19.716 17 HB3 LYS 28 HB1 LYS 28 0.749 16.340 21.073 18 HG2 LYS 28 HG2 LYS 28 -1.647 15.862 20.954 19 HG3 LYS 28 HG1 LYS 28 -1.356 14.772 19.597 20 HD2 LYS 28 HD2 LYS 28 0.068 13.381 21.036 21 HD3 LYS 28 HD1 LYS 28 -0.256 14.464 22.392 22 HE2 LYS 28 HE2 LYS 28 -1.678 12.507 22.530 23 HE3 LYS 28 HE1 LYS 28 -2.650 13.942 22.212 24 HZ1 LYS 28 HZ1 LYS 28 -1.788 11.966 20.168 25 HZ2 LYS 28 HZ2 LYS 28 -2.752 13.329 19.886 26 HZ3 LYS 28 HZ3 LYS 28 -3.336 12.065 20.847 27 H GLY 29 HN GLY 29 -2.235 17.333 18.213 28 HA2 GLY 29 HA2 GLY 29 -1.959 15.350 16.148 29 HA3 GLY 29 HA1 GLY 29 -3.361 16.369 16.437 30 H ALA 30 HN ALA 30 -1.001 18.546 16.344 31 HA ALA 30 HA ALA 30 -1.595 19.296 13.624 32 HB1 ALA 30 HB1 ALA 30 -1.493 20.982 15.392 33 HB2 ALA 30 HB2 ALA 30 -0.325 21.316 14.114 34 HB3 ALA 30 HB3 ALA 30 0.215 20.619 15.642 35 H ILE 31 HN ILE 31 1.149 18.022 15.410 36 HA ILE 31 HA ILE 31 2.971 18.295 13.192 37 HB ILE 31 HB ILE 31 3.320 16.700 15.734 38 HG12 ILE 31 HG12 ILE 31 4.261 19.507 15.104 39 HG13 ILE 31 HG11 ILE 31 2.876 19.126 16.121 40 HG21 ILE 31 HG21 ILE 31 4.840 16.037 13.950 41 HG22 ILE 31 HG22 ILE 31 5.709 16.867 15.240 42 HG23 ILE 31 HG23 ILE 31 5.340 17.715 13.737 43 HD11 ILE 31 HD11 ILE 31 4.358 17.956 17.680 44 HD12 ILE 31 HD12 ILE 31 4.817 19.644 17.468 45 HD13 ILE 31 HD13 ILE 31 5.739 18.374 16.666 46 H ILE 32 HN ILE 32 1.512 15.533 14.917 47 HA ILE 32 HA ILE 32 2.464 13.542 13.179 48 HB ILE 32 HB ILE 32 -0.065 13.472 14.829 49 HG12 ILE 32 HG12 ILE 32 1.894 14.043 16.195 50 HG13 ILE 32 HG11 ILE 32 1.311 12.426 16.571 51 HG21 ILE 32 HG21 ILE 32 1.636 11.247 13.710 52 HG22 ILE 32 HG22 ILE 32 0.013 11.695 13.182 53 HG23 ILE 32 HG23 ILE 32 0.263 11.036 14.799 54 HD11 ILE 32 HD11 ILE 32 3.726 12.475 16.502 55 HD12 ILE 32 HD12 ILE 32 3.689 13.103 14.854 56 HD13 ILE 32 HD13 ILE 32 3.098 11.476 15.191 57 H GLY 33 HN GLY 33 -0.302 15.667 13.001 58 HA2 GLY 33 HA2 GLY 33 -1.876 14.304 11.141 59 HA3 GLY 33 HA1 GLY 33 -1.837 16.048 11.340 60 H LEU 34 HN LEU 34 0.959 16.332 10.644 61 HA LEU 34 HA LEU 34 0.648 16.323 7.772 62 HB2 LEU 34 HB2 LEU 34 2.960 17.238 9.483 63 HB3 LEU 34 HB1 LEU 34 2.797 17.517 7.760 64 HG LEU 34 HG LEU 34 0.950 18.620 9.878 65 HD11 LEU 34 HD11 LEU 34 3.161 19.632 9.980 66 HD12 LEU 34 HD12 LEU 34 1.975 20.774 9.345 67 HD13 LEU 34 HD13 LEU 34 3.100 19.967 8.251 68 HD21 LEU 34 HD21 LEU 34 1.087 19.127 6.908 69 HD22 LEU 34 HD22 LEU 34 0.042 19.972 8.049 70 HD23 LEU 34 HD23 LEU 34 -0.185 18.247 7.755 71 H MET 35 HN MET 35 2.218 14.398 10.165 72 HA MET 35 HA MET 35 4.207 13.235 8.499 73 HB2 MET 35 HB2 MET 35 2.948 12.176 11.038 74 HB3 MET 35 HB1 MET 35 4.407 11.546 10.284 75 HG2 MET 35 HG2 MET 35 4.054 14.309 11.420 76 HG3 MET 35 HG1 MET 35 4.927 12.978 12.176 77 HE1 MET 35 HE1 MET 35 7.199 11.972 11.237 78 HE2 MET 35 HE2 MET 35 7.945 12.496 9.727 79 HE3 MET 35 HE3 MET 35 6.396 11.651 9.700 80 H VAL 36 HN VAL 36 0.832 12.683 8.946 81 HA VAL 36 HA VAL 36 0.631 10.003 8.153 82 HB VAL 36 HB VAL 36 -1.385 12.198 7.659 83 HG11 VAL 36 HG11 VAL 36 -1.890 10.187 6.405 84 HG12 VAL 36 HG12 VAL 36 -3.024 10.360 7.744 85 HG13 VAL 36 HG13 VAL 36 -1.697 9.205 7.857 86 HG21 VAL 36 HG21 VAL 36 -1.008 10.406 10.055 87 HG22 VAL 36 HG22 VAL 36 -2.373 11.494 9.801 88 HG23 VAL 36 HG23 VAL 36 -0.747 12.148 9.997 89 H GLY 37 HN GLY 37 1.101 12.927 6.305 90 HA2 GLY 37 HA2 GLY 37 0.316 11.855 3.779 91 HA3 GLY 37 HA1 GLY 37 1.271 13.307 4.036 92 H GLY 38 HN GLY 38 2.872 11.031 5.712 93 HA2 GLY 38 HA2 GLY 38 4.654 10.483 3.431 94 HA3 GLY 38 HA1 GLY 38 5.146 10.526 5.117 95 H VAL 39 HN VAL 39 2.674 8.956 5.834 96 HA VAL 39 HA VAL 39 3.876 6.354 5.478 97 HB VAL 39 HB VAL 39 2.932 6.955 7.656 98 HG11 VAL 39 HG11 VAL 39 0.462 7.035 7.927 99 HG12 VAL 39 HG12 VAL 39 0.315 7.076 6.169 100 HG13 VAL 39 HG13 VAL 39 1.126 8.393 7.018 101 HG21 VAL 39 HG21 VAL 39 3.044 4.605 7.040 102 HG22 VAL 39 HG22 VAL 39 1.446 4.707 6.305 103 HG23 VAL 39 HG23 VAL 39 1.631 4.918 8.046 104 H VAL 40 HN VAL 40 1.119 8.129 4.245 105 HA VAL 40 HA VAL 40 -0.382 6.035 3.173 106 HB VAL 40 HB VAL 40 -0.024 8.836 2.090 107 HG11 VAL 40 HG11 VAL 40 -0.899 7.396 0.355 108 HG12 VAL 40 HG12 VAL 40 -2.181 8.448 0.952 109 HG13 VAL 40 HG13 VAL 40 -2.120 6.761 1.458 110 HG21 VAL 40 HG21 VAL 40 -2.223 7.695 3.810 111 HG22 VAL 40 HG22 VAL 40 -2.049 9.370 3.283 112 HG23 VAL 40 HG23 VAL 40 -0.885 8.672 4.410 113 H ILE 41 HN ILE 41 2.209 7.951 1.655 114 HA ILE 41 HA ILE 41 2.186 6.635 -0.825 115 HB ILE 41 HB ILE 41 4.330 8.175 0.621 116 HG12 ILE 41 HG12 ILE 41 3.930 9.730 -1.346 117 HG13 ILE 41 HG11 ILE 41 2.553 8.715 -1.759 118 HG21 ILE 41 HG21 ILE 41 4.528 6.909 -2.106 119 HG22 ILE 41 HG22 ILE 41 5.533 6.566 -0.698 120 HG23 ILE 41 HG23 ILE 41 5.632 8.139 -1.489 121 HD11 ILE 41 HD11 ILE 41 2.902 10.164 0.852 122 HD12 ILE 41 HD12 ILE 41 1.490 9.242 0.336 123 HD13 ILE 41 HD13 ILE 41 1.927 10.729 -0.505 124 H ALA 42 HN ALA 42 3.750 5.852 2.216 125 HA ALA 42 HA ALA 42 5.328 3.716 1.081 126 HB1 ALA 42 HB1 ALA 42 4.831 4.427 3.970 127 HB2 ALA 42 HB2 ALA 42 6.168 5.010 2.979 128 HB3 ALA 42 HB3 ALA 42 6.044 3.295 3.371 129 H THR 43 HN THR 43 2.145 4.071 2.258 130 HA THR 43 HA THR 43 1.685 1.508 3.332 131 HB THR 43 HB THR 43 -0.275 3.372 1.978 132 HG1 THR 43 HG1 THR 43 -0.488 4.294 3.921 133 HG21 THR 43 HG21 THR 43 -1.180 1.120 2.094 134 HG22 THR 43 HG22 THR 43 -1.984 2.148 3.281 135 HG23 THR 43 HG23 THR 43 -0.741 1.008 3.801 136 H MET 44 HN MET 44 1.253 2.794 0.054 137 HA MET 44 HA MET 44 0.111 0.550 -1.132 138 HB2 MET 44 HB2 MET 44 0.298 2.793 -2.180 139 HB3 MET 44 HB1 MET 44 2.020 2.521 -2.406 140 HG2 MET 44 HG2 MET 44 -0.021 0.657 -3.560 141 HG3 MET 44 HG1 MET 44 0.446 2.140 -4.388 142 HE1 MET 44 HE1 MET 44 2.969 2.650 -5.167 143 HE2 MET 44 HE2 MET 44 4.304 1.522 -4.927 144 HE3 MET 44 HE3 MET 44 3.552 2.307 -3.539 145 H ILE 45 HN ILE 45 3.444 1.232 -0.322 146 HA ILE 45 HA ILE 45 4.536 -0.915 -1.885 147 HB ILE 45 HB ILE 45 5.828 0.616 0.375 148 HG12 ILE 45 HG12 ILE 45 5.997 1.119 -2.605 149 HG13 ILE 45 HG11 ILE 45 4.997 2.052 -1.497 150 HG21 ILE 45 HG21 ILE 45 7.025 -1.033 -1.850 151 HG22 ILE 45 HG22 ILE 45 6.967 -1.471 -0.143 152 HG23 ILE 45 HG23 ILE 45 7.932 -0.092 -0.668 153 HD11 ILE 45 HD11 ILE 45 7.998 1.840 -1.437 154 HD12 ILE 45 HD12 ILE 45 7.013 2.747 -0.289 155 HD13 ILE 45 HD13 ILE 45 7.051 3.222 -1.988 156 H VAL 46 HN VAL 46 4.150 -0.389 1.627 157 HA VAL 46 HA VAL 46 5.102 -2.875 2.453 158 HB VAL 46 HB VAL 46 3.924 -2.493 4.560 159 HG11 VAL 46 HG11 VAL 46 4.951 -0.341 5.134 160 HG12 VAL 46 HG12 VAL 46 5.175 0.003 3.419 161 HG13 VAL 46 HG13 VAL 46 6.032 -1.344 4.168 162 HG21 VAL 46 HG21 VAL 46 2.497 -0.530 4.862 163 HG22 VAL 46 HG22 VAL 46 1.819 -1.636 3.667 164 HG23 VAL 46 HG23 VAL 46 2.634 -0.163 3.143 165 H ILE 47 HN ILE 47 2.043 -2.023 1.059 166 HA ILE 47 HA ILE 47 0.506 -4.180 2.036 167 HB ILE 47 HB ILE 47 0.237 -2.440 -0.404 168 HG12 ILE 47 HG12 ILE 47 -1.526 -2.744 2.034 169 HG13 ILE 47 HG11 ILE 47 -0.243 -1.548 1.898 170 HG21 ILE 47 HG21 ILE 47 -0.680 -4.533 -1.104 171 HG22 ILE 47 HG22 ILE 47 -2.024 -3.465 -0.703 172 HG23 ILE 47 HG23 ILE 47 -1.539 -4.731 0.425 173 HD11 ILE 47 HD11 ILE 47 -2.658 -1.743 0.113 174 HD12 ILE 47 HD12 ILE 47 -1.384 -0.528 0.008 175 HD13 ILE 47 HD13 ILE 47 -2.429 -0.589 1.428 176 H THR 48 HN THR 48 2.644 -3.861 -0.755 177 HA THR 48 HA THR 48 1.945 -6.291 -2.012 178 HB THR 48 HB THR 48 3.990 -6.079 -3.286 179 HG1 THR 48 HG1 THR 48 5.664 -5.343 -2.227 180 HG21 THR 48 HG21 THR 48 2.160 -4.567 -3.878 181 HG22 THR 48 HG22 THR 48 3.726 -3.810 -4.170 182 HG23 THR 48 HG23 THR 48 2.782 -3.363 -2.748 183 H LEU 49 HN LEU 49 4.068 -5.533 0.649 184 HA LEU 49 HA LEU 49 5.458 -8.043 0.615 185 HB2 LEU 49 HB2 LEU 49 5.297 -5.782 2.586 186 HB3 LEU 49 HB1 LEU 49 6.133 -7.274 2.973 187 HG LEU 49 HG LEU 49 7.560 -6.882 0.922 188 HD11 LEU 49 HD11 LEU 49 7.678 -4.589 0.078 189 HD12 LEU 49 HD12 LEU 49 6.293 -4.151 1.078 190 HD13 LEU 49 HD13 LEU 49 6.100 -5.316 -0.232 191 HD21 LEU 49 HD21 LEU 49 7.666 -4.830 3.131 192 HD22 LEU 49 HD22 LEU 49 8.993 -5.260 2.054 193 HD23 LEU 49 HD23 LEU 49 8.356 -6.451 3.186 194 H VAL 50 HN VAL 50 3.000 -6.615 2.770 195 HA VAL 50 HA VAL 50 2.657 -8.857 4.404 196 HB VAL 50 HB VAL 50 1.829 -6.646 5.022 197 HG11 VAL 50 HG11 VAL 50 -0.244 -5.776 4.040 198 HG12 VAL 50 HG12 VAL 50 -0.234 -7.103 2.877 199 HG13 VAL 50 HG13 VAL 50 1.053 -5.900 2.851 200 HG21 VAL 50 HG21 VAL 50 -0.357 -8.720 4.872 201 HG22 VAL 50 HG22 VAL 50 -0.328 -7.331 5.956 202 HG23 VAL 50 HG23 VAL 50 0.882 -8.604 6.121 203 H MET 51 HN MET 51 1.223 -8.039 1.305 204 HA MET 51 HA MET 51 -0.867 -9.921 1.315 205 HB2 MET 51 HB2 MET 51 0.635 -8.479 -0.837 206 HB3 MET 51 HB1 MET 51 -0.483 -9.765 -1.273 207 HG2 MET 51 HG2 MET 51 -1.180 -7.312 0.327 208 HG3 MET 51 HG1 MET 51 -1.520 -7.555 -1.385 209 HE1 MET 51 HE1 MET 51 -4.033 -6.971 -0.988 210 HE2 MET 51 HE2 MET 51 -3.814 -6.768 0.750 211 HE3 MET 51 HE3 MET 51 -5.095 -7.816 0.140 212 H LEU 52 HN LEU 52 2.534 -10.290 0.904 213 HA LEU 52 HA LEU 52 2.354 -12.860 -0.405 214 HB2 LEU 52 HB2 LEU 52 4.705 -11.430 0.834 215 HB3 LEU 52 HB1 LEU 52 4.807 -12.921 -0.082 216 HG LEU 52 HG LEU 52 3.831 -10.293 -1.200 217 HD11 LEU 52 HD11 LEU 52 5.973 -10.235 -2.386 218 HD12 LEU 52 HD12 LEU 52 6.496 -11.670 -1.505 219 HD13 LEU 52 HD13 LEU 52 6.191 -10.164 -0.638 220 HD21 LEU 52 HD21 LEU 52 2.882 -12.217 -2.340 221 HD22 LEU 52 HD22 LEU 52 4.486 -12.921 -2.528 222 HD23 LEU 52 HD23 LEU 52 4.077 -11.424 -3.366 223 H LYS 53 HN LYS 53 2.614 -11.627 2.836 224 HA LYS 53 HA LYS 53 3.409 -14.113 4.028 225 HB2 LYS 53 HB2 LYS 53 2.204 -11.654 5.310 226 HB3 LYS 53 HB1 LYS 53 2.974 -12.984 6.161 227 HG2 LYS 53 HG2 LYS 53 5.096 -12.457 5.077 228 HG3 LYS 53 HG1 LYS 53 4.325 -11.129 4.213 229 HD2 LYS 53 HD2 LYS 53 3.786 -10.066 6.368 230 HD3 LYS 53 HD1 LYS 53 4.610 -11.382 7.207 231 HE2 LYS 53 HE2 LYS 53 5.863 -9.447 5.260 232 HE3 LYS 53 HE1 LYS 53 6.054 -9.428 7.012 233 HZ1 LYS 53 HZ1 LYS 53 7.124 -11.585 6.890 234 HZ2 LYS 53 HZ2 LYS 53 7.941 -10.469 5.918 235 HZ3 LYS 53 HZ3 LYS 53 6.924 -11.622 5.210 236 H LYS 54 HN LYS 54 0.447 -12.712 3.015 237 HA LYS 54 HA LYS 54 -1.209 -14.354 4.731 238 HB2 LYS 54 HB2 LYS 54 -1.963 -12.556 2.419 239 HB3 LYS 54 HB1 LYS 54 -3.091 -13.318 3.532 240 HG2 LYS 54 HG2 LYS 54 -0.975 -11.331 4.333 241 HG3 LYS 54 HG1 LYS 54 -2.667 -10.937 4.026 242 HD2 LYS 54 HD2 LYS 54 -1.723 -12.910 6.104 243 HD3 LYS 54 HD1 LYS 54 -2.120 -11.225 6.438 244 HE2 LYS 54 HE2 LYS 54 -4.404 -11.618 5.615 245 HE3 LYS 54 HE1 LYS 54 -4.000 -13.310 5.336 246 HZ1 LYS 54 HZ1 LYS 54 -3.987 -11.932 7.966 247 HZ2 LYS 54 HZ2 LYS 54 -3.562 -13.549 7.709 248 HZ3 LYS 54 HZ3 LYS 54 -5.150 -13.036 7.430 249 H LYS 55 HN LYS 55 0.270 -14.570 1.651 250 HA LYS 55 HA LYS 55 -1.225 -17.047 1.111 251 HB2 LYS 55 HB2 LYS 55 -0.389 -14.936 -0.882 252 HB3 LYS 55 HB1 LYS 55 -0.955 -16.538 -1.335 253 HG2 LYS 55 HG2 LYS 55 -2.569 -14.588 0.291 254 HG3 LYS 55 HG1 LYS 55 -2.681 -14.747 -1.462 255 HD2 LYS 55 HD2 LYS 55 -3.347 -17.081 -1.218 256 HD3 LYS 55 HD1 LYS 55 -3.201 -16.950 0.536 257 HE2 LYS 55 HE2 LYS 55 -5.089 -15.331 -1.173 258 HE3 LYS 55 HE1 LYS 55 -5.535 -16.774 -0.263 259 HZ1 LYS 55 HZ1 LYS 55 -4.483 -14.248 0.899 260 HZ2 LYS 55 HZ2 LYS 55 -4.904 -15.634 1.774 261 HZ3 LYS 55 HZ3 LYS 55 -6.095 -14.764 0.947 Start of MODEL 19 1 H1 SER 26 HT1 SER 26 4.757 21.283 20.746 2 H2 SER 26 HT2 SER 26 3.093 21.530 20.909 3 H3 SER 26 HT3 SER 26 4.140 21.971 22.162 4 HA SER 26 HA SER 26 3.392 23.903 20.935 5 HB2 SER 26 HB2 SER 26 6.318 23.233 20.517 6 HB3 SER 26 HB1 SER 26 5.622 24.853 20.461 7 HG SER 26 HG SER 26 6.565 23.706 22.556 8 H ASN 27 HN ASN 27 2.039 23.030 19.197 9 HA ASN 27 HA ASN 27 1.435 22.806 17.017 10 HB2 ASN 27 HB2 ASN 27 3.847 24.584 16.594 11 HB3 ASN 27 HB1 ASN 27 2.590 24.278 15.400 12 HD21 ASN 27 HD21 ASN 27 3.445 26.779 16.631 13 HD22 ASN 27 HD22 ASN 27 2.037 27.451 17.373 14 H LYS 28 HN LYS 28 3.188 20.796 18.127 15 HA LYS 28 HA LYS 28 5.236 20.042 16.361 16 HB2 LYS 28 HB2 LYS 28 5.016 19.105 18.612 17 HB3 LYS 28 HB1 LYS 28 3.518 18.310 18.148 18 HG2 LYS 28 HG2 LYS 28 4.727 16.930 16.551 19 HG3 LYS 28 HG1 LYS 28 6.233 17.749 16.969 20 HD2 LYS 28 HD2 LYS 28 6.035 16.937 19.270 21 HD3 LYS 28 HD1 LYS 28 4.525 16.122 18.854 22 HE2 LYS 28 HE2 LYS 28 5.715 14.723 17.246 23 HE3 LYS 28 HE1 LYS 28 7.223 15.549 17.633 24 HZ1 LYS 28 HZ1 LYS 28 5.603 13.964 19.550 25 HZ2 LYS 28 HZ2 LYS 28 7.080 14.719 19.883 26 HZ3 LYS 28 HZ3 LYS 28 7.016 13.429 18.790 27 H GLY 29 HN GLY 29 1.776 19.382 16.369 28 HA2 GLY 29 HA2 GLY 29 1.718 17.387 14.397 29 HA3 GLY 29 HA1 GLY 29 0.392 18.475 14.777 30 H ALA 30 HN ALA 30 2.211 20.801 14.124 31 HA ALA 30 HA ALA 30 1.410 21.099 11.418 32 HB1 ALA 30 HB1 ALA 30 1.613 22.995 12.957 33 HB2 ALA 30 HB2 ALA 30 2.581 23.230 11.502 34 HB3 ALA 30 HB3 ALA 30 3.361 22.759 13.013 35 H ILE 31 HN ILE 31 4.241 19.835 12.929 36 HA ILE 31 HA ILE 31 5.905 20.111 10.572 37 HB ILE 31 HB ILE 31 6.452 18.571 13.114 38 HG12 ILE 31 HG12 ILE 31 6.112 20.950 13.583 39 HG13 ILE 31 HG11 ILE 31 7.807 20.519 13.776 40 HG21 ILE 31 HG21 ILE 31 8.291 19.474 10.901 41 HG22 ILE 31 HG22 ILE 31 7.817 17.814 11.262 42 HG23 ILE 31 HG23 ILE 31 8.805 18.719 12.411 43 HD11 ILE 31 HD11 ILE 31 6.603 21.906 11.392 44 HD12 ILE 31 HD12 ILE 31 8.304 21.490 11.597 45 HD13 ILE 31 HD13 ILE 31 7.549 22.667 12.671 46 H ILE 32 HN ILE 32 4.251 17.517 12.335 47 HA ILE 32 HA ILE 32 5.148 15.423 10.636 48 HB ILE 32 HB ILE 32 2.854 15.594 12.588 49 HG12 ILE 32 HG12 ILE 32 4.327 13.864 13.764 50 HG13 ILE 32 HG11 ILE 32 5.583 14.308 12.614 51 HG21 ILE 32 HG21 ILE 32 2.171 14.032 10.887 52 HG22 ILE 32 HG22 ILE 32 2.632 13.142 12.338 53 HG23 ILE 32 HG23 ILE 32 3.732 13.213 10.963 54 HD11 ILE 32 HD11 ILE 32 4.238 16.199 14.529 55 HD12 ILE 32 HD12 ILE 32 5.566 16.581 13.431 56 HD13 ILE 32 HD13 ILE 32 5.819 15.454 14.762 57 H GLY 33 HN GLY 33 2.589 17.751 10.448 58 HA2 GLY 33 HA2 GLY 33 0.743 16.528 8.794 59 HA3 GLY 33 HA1 GLY 33 1.115 18.245 8.760 60 H LEU 34 HN LEU 34 3.821 18.023 7.911 61 HA LEU 34 HA LEU 34 3.378 17.643 5.088 62 HB2 LEU 34 HB2 LEU 34 5.896 18.380 6.584 63 HB3 LEU 34 HB1 LEU 34 5.684 18.454 4.845 64 HG LEU 34 HG LEU 34 4.132 20.111 6.836 65 HD11 LEU 34 HD11 LEU 34 5.495 21.978 6.047 66 HD12 LEU 34 HD12 LEU 34 6.435 20.873 5.046 67 HD13 LEU 34 HD13 LEU 34 6.489 20.732 6.804 68 HD21 LEU 34 HD21 LEU 34 4.286 20.241 3.826 69 HD22 LEU 34 HD22 LEU 34 3.416 21.369 4.865 70 HD23 LEU 34 HD23 LEU 34 2.905 19.683 4.771 71 H MET 35 HN MET 35 4.705 15.835 7.695 72 HA MET 35 HA MET 35 6.385 14.115 6.164 73 HB2 MET 35 HB2 MET 35 5.148 13.689 8.891 74 HB3 MET 35 HB1 MET 35 6.441 12.722 8.193 75 HG2 MET 35 HG2 MET 35 6.608 15.656 8.842 76 HG3 MET 35 HG1 MET 35 7.272 14.346 9.817 77 HE1 MET 35 HE1 MET 35 8.385 12.357 7.603 78 HE2 MET 35 HE2 MET 35 9.279 12.800 9.056 79 HE3 MET 35 HE3 MET 35 10.055 12.907 7.476 80 H VAL 36 HN VAL 36 3.004 14.232 6.836 81 HA VAL 36 HA VAL 36 2.272 11.558 6.548 82 HB VAL 36 HB VAL 36 0.687 13.956 5.614 83 HG11 VAL 36 HG11 VAL 36 -1.264 12.527 6.062 84 HG12 VAL 36 HG12 VAL 36 -0.184 11.189 6.442 85 HG13 VAL 36 HG13 VAL 36 -0.222 11.853 4.809 86 HG21 VAL 36 HG21 VAL 36 1.400 14.258 7.916 87 HG22 VAL 36 HG22 VAL 36 0.803 12.651 8.333 88 HG23 VAL 36 HG23 VAL 36 -0.328 13.915 7.852 89 H GLY 37 HN GLY 37 3.294 13.878 4.170 90 HA2 GLY 37 HA2 GLY 37 2.187 12.607 1.883 91 HA3 GLY 37 HA1 GLY 37 3.515 13.755 1.883 92 H GLY 38 HN GLY 38 4.479 11.462 3.976 93 HA2 GLY 38 HA2 GLY 38 5.900 9.989 1.855 94 HA3 GLY 38 HA1 GLY 38 6.533 10.279 3.467 95 H VAL 39 HN VAL 39 4.014 9.622 4.793 96 HA VAL 39 HA VAL 39 4.428 6.818 5.059 97 HB VAL 39 HB VAL 39 3.710 8.157 6.968 98 HG11 VAL 39 HG11 VAL 39 2.314 9.782 5.843 99 HG12 VAL 39 HG12 VAL 39 1.395 8.982 7.120 100 HG13 VAL 39 HG13 VAL 39 1.141 8.529 5.434 101 HG21 VAL 39 HG21 VAL 39 1.663 6.094 6.156 102 HG22 VAL 39 HG22 VAL 39 1.925 6.689 7.795 103 HG23 VAL 39 HG23 VAL 39 3.193 5.780 6.974 104 H VAL 40 HN VAL 40 1.995 8.806 3.458 105 HA VAL 40 HA VAL 40 0.147 6.791 2.844 106 HB VAL 40 HB VAL 40 0.785 9.280 1.251 107 HG11 VAL 40 HG11 VAL 40 -1.499 9.041 0.372 108 HG12 VAL 40 HG12 VAL 40 -1.655 7.505 1.224 109 HG13 VAL 40 HG13 VAL 40 -0.472 7.678 -0.072 110 HG21 VAL 40 HG21 VAL 40 -1.297 8.816 3.386 111 HG22 VAL 40 HG22 VAL 40 -1.061 10.303 2.466 112 HG23 VAL 40 HG23 VAL 40 0.186 9.749 3.583 113 H ILE 41 HN ILE 41 3.032 7.906 1.136 114 HA ILE 41 HA ILE 41 2.669 6.383 -1.206 115 HB ILE 41 HB ILE 41 5.243 7.350 0.027 116 HG12 ILE 41 HG12 ILE 41 3.284 8.562 -1.925 117 HG13 ILE 41 HG11 ILE 41 3.821 9.220 -0.384 118 HG21 ILE 41 HG21 ILE 41 6.187 7.092 -2.209 119 HG22 ILE 41 HG22 ILE 41 4.654 6.449 -2.795 120 HG23 ILE 41 HG23 ILE 41 5.590 5.548 -1.603 121 HD11 ILE 41 HD11 ILE 41 4.838 10.441 -2.161 122 HD12 ILE 41 HD12 ILE 41 5.431 8.957 -2.900 123 HD13 ILE 41 HD13 ILE 41 6.079 9.489 -1.348 124 H ALA 42 HN ALA 42 4.276 5.677 1.862 125 HA ALA 42 HA ALA 42 5.284 3.134 0.986 126 HB1 ALA 42 HB1 ALA 42 5.056 4.253 3.776 127 HB2 ALA 42 HB2 ALA 42 6.438 4.444 2.699 128 HB3 ALA 42 HB3 ALA 42 5.998 2.843 3.293 129 H THR 43 HN THR 43 2.320 4.278 2.319 130 HA THR 43 HA THR 43 1.407 1.963 3.621 131 HB THR 43 HB THR 43 -0.224 4.065 2.179 132 HG1 THR 43 HG1 THR 43 -0.417 4.424 4.734 133 HG21 THR 43 HG21 THR 43 -2.056 3.344 3.658 134 HG22 THR 43 HG22 THR 43 -1.035 2.047 4.277 135 HG23 THR 43 HG23 THR 43 -1.531 2.047 2.585 136 H MET 44 HN MET 44 1.482 2.860 0.243 137 HA MET 44 HA MET 44 -0.192 0.630 -0.556 138 HB2 MET 44 HB2 MET 44 -0.303 2.804 -1.737 139 HB3 MET 44 HB1 MET 44 1.364 2.591 -2.250 140 HG2 MET 44 HG2 MET 44 0.726 0.588 -3.496 141 HG3 MET 44 HG1 MET 44 -0.947 0.810 -2.988 142 HE1 MET 44 HE1 MET 44 -0.055 0.487 -6.038 143 HE2 MET 44 HE2 MET 44 -1.051 1.727 -6.801 144 HE3 MET 44 HE3 MET 44 -1.728 0.709 -5.530 145 H ILE 45 HN ILE 45 3.167 1.319 -0.160 146 HA ILE 45 HA ILE 45 4.093 -0.765 -1.919 147 HB ILE 45 HB ILE 45 5.620 0.759 0.195 148 HG12 ILE 45 HG12 ILE 45 5.488 1.235 -2.790 149 HG13 ILE 45 HG11 ILE 45 4.597 2.175 -1.599 150 HG21 ILE 45 HG21 ILE 45 7.607 0.047 -1.062 151 HG22 ILE 45 HG22 ILE 45 6.580 -0.914 -2.124 152 HG23 ILE 45 HG23 ILE 45 6.709 -1.326 -0.414 153 HD11 ILE 45 HD11 ILE 45 7.591 1.975 -1.828 154 HD12 ILE 45 HD12 ILE 45 6.716 2.892 -0.602 155 HD13 ILE 45 HD13 ILE 45 6.590 3.348 -2.300 156 H VAL 46 HN VAL 46 3.490 -0.409 1.530 157 HA VAL 46 HA VAL 46 4.785 -2.795 2.343 158 HB VAL 46 HB VAL 46 3.449 -2.589 4.421 159 HG11 VAL 46 HG11 VAL 46 5.551 -1.408 4.235 160 HG12 VAL 46 HG12 VAL 46 4.392 -0.420 5.123 161 HG13 VAL 46 HG13 VAL 46 4.754 -0.054 3.437 162 HG21 VAL 46 HG21 VAL 46 2.205 -0.222 3.019 163 HG22 VAL 46 HG22 VAL 46 1.982 -0.648 4.715 164 HG23 VAL 46 HG23 VAL 46 1.384 -1.721 3.451 165 H ILE 47 HN ILE 47 1.703 -2.151 0.912 166 HA ILE 47 HA ILE 47 0.259 -4.393 1.771 167 HB ILE 47 HB ILE 47 0.034 -3.041 -0.917 168 HG12 ILE 47 HG12 ILE 47 -0.103 -1.385 0.870 169 HG13 ILE 47 HG11 ILE 47 -1.686 -1.625 0.141 170 HG21 ILE 47 HG21 ILE 47 -2.284 -3.815 -0.854 171 HG22 ILE 47 HG22 ILE 47 -1.968 -4.628 0.680 172 HG23 ILE 47 HG23 ILE 47 -1.149 -5.163 -0.783 173 HD11 ILE 47 HD11 ILE 47 -1.847 -1.430 2.552 174 HD12 ILE 47 HD12 ILE 47 -0.749 -2.795 2.750 175 HD13 ILE 47 HD13 ILE 47 -2.335 -3.039 2.021 176 H THR 48 HN THR 48 2.665 -4.015 -0.752 177 HA THR 48 HA THR 48 2.147 -6.521 -2.019 178 HB THR 48 HB THR 48 4.220 -6.161 -3.236 179 HG1 THR 48 HG1 THR 48 5.742 -5.215 -2.100 180 HG21 THR 48 HG21 THR 48 2.672 -3.591 -2.884 181 HG22 THR 48 HG22 THR 48 2.255 -4.912 -3.975 182 HG23 THR 48 HG23 THR 48 3.726 -3.978 -4.244 183 H LEU 49 HN LEU 49 4.103 -5.482 0.671 184 HA LEU 49 HA LEU 49 5.732 -7.844 0.749 185 HB2 LEU 49 HB2 LEU 49 5.304 -5.537 2.622 186 HB3 LEU 49 HB1 LEU 49 6.243 -6.934 3.111 187 HG LEU 49 HG LEU 49 7.728 -6.522 1.117 188 HD11 LEU 49 HD11 LEU 49 7.673 -4.285 0.123 189 HD12 LEU 49 HD12 LEU 49 6.196 -3.927 1.020 190 HD13 LEU 49 HD13 LEU 49 6.197 -5.188 -0.213 191 HD21 LEU 49 HD21 LEU 49 7.535 -4.326 3.173 192 HD22 LEU 49 HD22 LEU 49 8.948 -4.695 2.183 193 HD23 LEU 49 HD23 LEU 49 8.373 -5.865 3.374 194 H VAL 50 HN VAL 50 2.958 -6.645 2.617 195 HA VAL 50 HA VAL 50 2.804 -8.783 4.418 196 HB VAL 50 HB VAL 50 1.620 -6.714 4.837 197 HG11 VAL 50 HG11 VAL 50 1.025 -6.164 2.541 198 HG12 VAL 50 HG12 VAL 50 -0.390 -6.112 3.592 199 HG13 VAL 50 HG13 VAL 50 -0.139 -7.489 2.518 200 HG21 VAL 50 HG21 VAL 50 0.788 -8.743 5.909 201 HG22 VAL 50 HG22 VAL 50 -0.281 -9.040 4.537 202 HG23 VAL 50 HG23 VAL 50 -0.531 -7.625 5.562 203 H MET 51 HN MET 51 1.327 -8.339 1.231 204 HA MET 51 HA MET 51 -0.352 -10.580 1.275 205 HB2 MET 51 HB2 MET 51 0.965 -9.075 -0.973 206 HB3 MET 51 HB1 MET 51 -0.071 -10.463 -1.274 207 HG2 MET 51 HG2 MET 51 -1.908 -9.327 -0.119 208 HG3 MET 51 HG1 MET 51 -0.869 -7.930 0.140 209 HE1 MET 51 HE1 MET 51 -3.490 -6.791 -2.598 210 HE2 MET 51 HE2 MET 51 -2.894 -6.516 -0.961 211 HE3 MET 51 HE3 MET 51 -3.801 -7.981 -1.335 212 H LEU 52 HN LEU 52 3.053 -10.258 0.430 213 HA LEU 52 HA LEU 52 3.356 -12.890 -0.594 214 HB2 LEU 52 HB2 LEU 52 5.381 -10.948 0.513 215 HB3 LEU 52 HB1 LEU 52 5.796 -12.463 -0.263 216 HG LEU 52 HG LEU 52 4.316 -10.198 -1.603 217 HD11 LEU 52 HD11 LEU 52 6.614 -9.579 -1.087 218 HD12 LEU 52 HD12 LEU 52 6.398 -9.821 -2.822 219 HD13 LEU 52 HD13 LEU 52 7.194 -11.061 -1.850 220 HD21 LEU 52 HD21 LEU 52 3.764 -12.383 -2.530 221 HD22 LEU 52 HD22 LEU 52 5.478 -12.752 -2.707 222 HD23 LEU 52 HD23 LEU 52 4.756 -11.456 -3.657 223 H LYS 53 HN LYS 53 3.259 -11.567 2.590 224 HA LYS 53 HA LYS 53 4.574 -13.818 3.834 225 HB2 LYS 53 HB2 LYS 53 3.031 -11.518 5.047 226 HB3 LYS 53 HB1 LYS 53 3.957 -12.706 5.953 227 HG2 LYS 53 HG2 LYS 53 5.107 -10.814 3.914 228 HG3 LYS 53 HG1 LYS 53 5.148 -10.574 5.660 229 HD2 LYS 53 HD2 LYS 53 6.448 -12.627 5.918 230 HD3 LYS 53 HD1 LYS 53 6.389 -12.889 4.174 231 HE2 LYS 53 HE2 LYS 53 7.603 -10.793 3.819 232 HE3 LYS 53 HE1 LYS 53 7.660 -10.534 5.563 233 HZ1 LYS 53 HZ1 LYS 53 8.915 -12.797 4.102 234 HZ2 LYS 53 HZ2 LYS 53 8.957 -12.570 5.778 235 HZ3 LYS 53 HZ3 LYS 53 9.728 -11.465 4.756 236 H LYS 54 HN LYS 54 1.352 -12.882 2.982 237 HA LYS 54 HA LYS 54 0.072 -14.766 4.755 238 HB2 LYS 54 HB2 LYS 54 -0.992 -13.069 2.496 239 HB3 LYS 54 HB1 LYS 54 -1.996 -14.123 3.480 240 HG2 LYS 54 HG2 LYS 54 -1.389 -12.849 5.474 241 HG3 LYS 54 HG1 LYS 54 -0.375 -11.793 4.488 242 HD2 LYS 54 HD2 LYS 54 -2.489 -10.706 4.885 243 HD3 LYS 54 HD1 LYS 54 -2.386 -11.160 3.182 244 HE2 LYS 54 HE2 LYS 54 -3.769 -13.121 3.609 245 HE3 LYS 54 HE1 LYS 54 -3.839 -12.712 5.323 246 HZ1 LYS 54 HZ1 LYS 54 -5.005 -10.680 4.765 247 HZ2 LYS 54 HZ2 LYS 54 -5.834 -12.013 4.136 248 HZ3 LYS 54 HZ3 LYS 54 -4.906 -11.037 3.114 249 H LYS 55 HN LYS 55 1.541 -14.883 1.694 250 HA LYS 55 HA LYS 55 0.024 -17.230 0.848 251 HB2 LYS 55 HB2 LYS 55 0.501 -15.513 -0.836 252 HB3 LYS 55 HB1 LYS 55 2.226 -15.701 -0.552 253 HG2 LYS 55 HG2 LYS 55 2.161 -17.960 -1.401 254 HG3 LYS 55 HG1 LYS 55 0.410 -17.866 -1.594 255 HD2 LYS 55 HD2 LYS 55 2.365 -16.052 -3.003 256 HD3 LYS 55 HD1 LYS 55 1.711 -17.532 -3.706 257 HE2 LYS 55 HE2 LYS 55 0.134 -15.120 -2.810 258 HE3 LYS 55 HE1 LYS 55 0.456 -15.599 -4.477 259 HZ1 LYS 55 HZ1 LYS 55 -1.110 -17.171 -2.502 260 HZ2 LYS 55 HZ2 LYS 55 -0.807 -17.625 -4.101 261 HZ3 LYS 55 HZ3 LYS 55 -1.757 -16.264 -3.775 Start of MODEL 20 1 H1 SER 26 HT1 SER 26 -10.144 29.715 -2.792 2 H2 SER 26 HT2 SER 26 -8.738 30.627 -2.563 3 H3 SER 26 HT3 SER 26 -10.104 30.929 -1.613 4 HA SER 26 HA SER 26 -8.429 29.712 -0.379 5 HB2 SER 26 HB2 SER 26 -9.896 27.878 0.394 6 HB3 SER 26 HB1 SER 26 -10.787 29.385 0.190 7 HG SER 26 HG SER 26 -11.914 27.630 -0.720 8 H ASN 27 HN ASN 27 -6.561 28.879 -1.078 9 HA ASN 27 HA ASN 27 -6.648 26.260 -2.379 10 HB2 ASN 27 HB2 ASN 27 -4.894 28.536 -3.330 11 HB3 ASN 27 HB1 ASN 27 -4.886 26.891 -3.960 12 HD21 ASN 27 HD21 ASN 27 -6.636 29.890 -3.791 13 HD22 ASN 27 HD22 ASN 27 -7.731 29.554 -5.086 14 H LYS 28 HN LYS 28 -5.856 27.747 0.257 15 HA LYS 28 HA LYS 28 -3.072 27.116 0.564 16 HB2 LYS 28 HB2 LYS 28 -4.114 28.968 1.797 17 HB3 LYS 28 HB1 LYS 28 -5.159 27.828 2.633 18 HG2 LYS 28 HG2 LYS 28 -3.158 26.771 3.619 19 HG3 LYS 28 HG1 LYS 28 -2.161 28.001 2.844 20 HD2 LYS 28 HD2 LYS 28 -2.545 28.648 5.126 21 HD3 LYS 28 HD1 LYS 28 -3.447 29.738 4.074 22 HE2 LYS 28 HE2 LYS 28 -5.486 28.458 4.494 23 HE3 LYS 28 HE1 LYS 28 -4.585 27.356 5.537 24 HZ1 LYS 28 HZ1 LYS 28 -4.101 29.220 7.007 25 HZ2 LYS 28 HZ2 LYS 28 -5.770 29.006 6.830 26 HZ3 LYS 28 HZ3 LYS 28 -4.989 30.262 6.011 27 H GLY 29 HN GLY 29 -6.124 25.552 1.300 28 HA2 GLY 29 HA2 GLY 29 -4.872 23.475 2.880 29 HA3 GLY 29 HA1 GLY 29 -6.569 23.569 2.437 30 H ALA 30 HN ALA 30 -5.686 23.986 -0.437 31 HA ALA 30 HA ALA 30 -5.883 21.273 -1.238 32 HB1 ALA 30 HB1 ALA 30 -5.650 22.118 -3.507 33 HB2 ALA 30 HB2 ALA 30 -5.120 23.681 -2.884 34 HB3 ALA 30 HB3 ALA 30 -6.766 23.122 -2.582 35 H ILE 31 HN ILE 31 -3.205 23.434 -0.702 36 HA ILE 31 HA ILE 31 -1.257 21.917 -2.132 37 HB ILE 31 HB ILE 31 -0.842 23.921 0.093 38 HG12 ILE 31 HG12 ILE 31 -0.726 24.322 -2.905 39 HG13 ILE 31 HG11 ILE 31 -2.087 24.792 -1.892 40 HG21 ILE 31 HG21 ILE 31 1.075 22.853 -1.978 41 HG22 ILE 31 HG22 ILE 31 1.102 22.496 -0.251 42 HG23 ILE 31 HG23 ILE 31 1.423 24.135 -0.818 43 HD11 ILE 31 HD11 ILE 31 0.716 25.876 -1.726 44 HD12 ILE 31 HD12 ILE 31 -0.618 26.321 -0.661 45 HD13 ILE 31 HD13 ILE 31 -0.697 26.702 -2.381 46 H ILE 32 HN ILE 32 -2.319 22.054 1.236 47 HA ILE 32 HA ILE 32 -0.334 20.428 2.359 48 HB ILE 32 HB ILE 32 -3.218 20.629 3.240 49 HG12 ILE 32 HG12 ILE 32 -2.211 22.850 3.044 50 HG13 ILE 32 HG11 ILE 32 -2.438 22.426 4.737 51 HG21 ILE 32 HG21 ILE 32 -0.726 19.854 4.751 52 HG22 ILE 32 HG22 ILE 32 -2.048 18.783 4.288 53 HG23 ILE 32 HG23 ILE 32 -2.326 20.070 5.461 54 HD11 ILE 32 HD11 ILE 32 -0.070 21.867 4.914 55 HD12 ILE 32 HD12 ILE 32 -0.306 23.531 4.376 56 HD13 ILE 32 HD13 ILE 32 0.157 22.287 3.216 57 H GLY 33 HN GLY 33 -3.310 19.632 0.663 58 HA2 GLY 33 HA2 GLY 33 -3.462 16.908 1.333 59 HA3 GLY 33 HA1 GLY 33 -4.138 17.638 -0.117 60 H LEU 34 HN LEU 34 -1.624 18.587 -1.154 61 HA LEU 34 HA LEU 34 -0.828 16.303 -2.610 62 HB2 LEU 34 HB2 LEU 34 0.632 18.927 -2.300 63 HB3 LEU 34 HB1 LEU 34 0.908 17.736 -3.557 64 HG LEU 34 HG LEU 34 -1.655 19.288 -3.182 65 HD11 LEU 34 HD11 LEU 34 0.558 19.630 -5.201 66 HD12 LEU 34 HD12 LEU 34 0.177 20.734 -3.881 67 HD13 LEU 34 HD13 LEU 34 -0.977 20.498 -5.194 68 HD21 LEU 34 HD21 LEU 34 -0.757 17.448 -5.398 69 HD22 LEU 34 HD22 LEU 34 -2.251 18.382 -5.371 70 HD23 LEU 34 HD23 LEU 34 -1.996 17.091 -4.197 71 H MET 35 HN MET 35 0.344 17.790 0.311 72 HA MET 35 HA MET 35 2.872 16.477 0.377 73 HB2 MET 35 HB2 MET 35 1.292 17.585 2.703 74 HB3 MET 35 HB1 MET 35 3.020 17.263 2.662 75 HG2 MET 35 HG2 MET 35 3.317 19.003 0.985 76 HG3 MET 35 HG1 MET 35 1.581 19.313 0.990 77 HE1 MET 35 HE1 MET 35 1.845 21.882 1.508 78 HE2 MET 35 HE2 MET 35 3.589 21.657 1.363 79 HE3 MET 35 HE3 MET 35 2.923 22.515 2.753 80 H VAL 36 HN VAL 36 -0.354 15.681 1.452 81 HA VAL 36 HA VAL 36 0.397 13.464 3.093 82 HB VAL 36 HB VAL 36 -2.285 14.018 1.810 83 HG11 VAL 36 HG11 VAL 36 -2.074 11.741 2.637 84 HG12 VAL 36 HG12 VAL 36 -3.175 12.667 3.655 85 HG13 VAL 36 HG13 VAL 36 -1.532 12.343 4.202 86 HG21 VAL 36 HG21 VAL 36 -2.877 15.093 3.934 87 HG22 VAL 36 HG22 VAL 36 -1.555 15.932 3.123 88 HG23 VAL 36 HG23 VAL 36 -1.221 14.880 4.498 89 H GLY 37 HN GLY 37 -0.125 13.944 -0.292 90 HA2 GLY 37 HA2 GLY 37 -0.768 11.312 -1.062 91 HA3 GLY 37 HA1 GLY 37 -0.019 12.523 -2.091 92 H GLY 38 HN GLY 38 2.044 12.461 0.350 93 HA2 GLY 38 HA2 GLY 38 3.858 10.676 -1.045 94 HA3 GLY 38 HA1 GLY 38 4.264 11.746 0.289 95 H VAL 39 HN VAL 39 2.392 10.906 2.183 96 HA VAL 39 HA VAL 39 3.700 8.613 3.222 97 HB VAL 39 HB VAL 39 2.659 10.414 4.616 98 HG11 VAL 39 HG11 VAL 39 0.575 10.740 3.488 99 HG12 VAL 39 HG12 VAL 39 0.238 10.182 5.126 100 HG13 VAL 39 HG13 VAL 39 0.102 9.064 3.771 101 HG21 VAL 39 HG21 VAL 39 1.844 8.889 6.365 102 HG22 VAL 39 HG22 VAL 39 3.330 8.307 5.612 103 HG23 VAL 39 HG23 VAL 39 1.780 7.585 5.179 104 H VAL 40 HN VAL 40 0.853 9.071 1.290 105 HA VAL 40 HA VAL 40 -0.441 6.618 1.827 106 HB VAL 40 HB VAL 40 -0.521 8.257 -0.714 107 HG11 VAL 40 HG11 VAL 40 -2.435 6.178 0.347 108 HG12 VAL 40 HG12 VAL 40 -1.366 5.999 -1.046 109 HG13 VAL 40 HG13 VAL 40 -2.686 7.169 -1.091 110 HG21 VAL 40 HG21 VAL 40 -1.138 9.555 1.273 111 HG22 VAL 40 HG22 VAL 40 -2.342 8.337 1.691 112 HG23 VAL 40 HG23 VAL 40 -2.522 9.283 0.215 113 H ILE 41 HN ILE 41 2.208 7.517 -0.253 114 HA ILE 41 HA ILE 41 2.218 5.225 -1.912 115 HB ILE 41 HB ILE 41 4.558 6.968 -1.131 116 HG12 ILE 41 HG12 ILE 41 2.731 8.295 -2.081 117 HG13 ILE 41 HG11 ILE 41 4.085 8.208 -3.200 118 HG21 ILE 41 HG21 ILE 41 5.283 4.889 -2.124 119 HG22 ILE 41 HG22 ILE 41 5.521 6.208 -3.271 120 HG23 ILE 41 HG23 ILE 41 4.159 5.103 -3.465 121 HD11 ILE 41 HD11 ILE 41 1.554 6.585 -3.364 122 HD12 ILE 41 HD12 ILE 41 2.909 6.503 -4.490 123 HD13 ILE 41 HD13 ILE 41 1.961 7.985 -4.356 124 H ALA 42 HN ALA 42 4.099 6.047 0.997 125 HA ALA 42 HA ALA 42 5.517 3.628 1.163 126 HB1 ALA 42 HB1 ALA 42 6.184 5.651 2.363 127 HB2 ALA 42 HB2 ALA 42 6.016 4.281 3.459 128 HB3 ALA 42 HB3 ALA 42 4.758 5.513 3.391 129 H THR 43 HN THR 43 2.312 4.528 2.197 130 HA THR 43 HA THR 43 1.878 2.348 3.969 131 HB THR 43 HB THR 43 -0.188 3.960 2.457 132 HG1 THR 43 HG1 THR 43 0.879 4.382 5.070 133 HG21 THR 43 HG21 THR 43 -0.395 2.342 5.000 134 HG22 THR 43 HG22 THR 43 -1.088 1.909 3.438 135 HG23 THR 43 HG23 THR 43 -1.679 3.330 4.301 136 H MET 44 HN MET 44 1.768 2.714 0.534 137 HA MET 44 HA MET 44 0.192 0.319 0.108 138 HB2 MET 44 HB2 MET 44 -0.069 2.209 -1.421 139 HB3 MET 44 HB1 MET 44 1.636 2.124 -1.840 140 HG2 MET 44 HG2 MET 44 1.276 -0.107 -2.790 141 HG3 MET 44 HG1 MET 44 -0.438 0.015 -2.401 142 HE1 MET 44 HE1 MET 44 1.688 2.789 -5.419 143 HE2 MET 44 HE2 MET 44 2.508 1.494 -4.546 144 HE3 MET 44 HE3 MET 44 1.907 2.903 -3.672 145 H ILE 45 HN ILE 45 3.556 1.337 -0.088 146 HA ILE 45 HA ILE 45 4.594 -0.925 -1.387 147 HB ILE 45 HB ILE 45 5.976 0.858 0.620 148 HG12 ILE 45 HG12 ILE 45 5.955 1.024 -2.400 149 HG13 ILE 45 HG11 ILE 45 4.973 2.036 -1.347 150 HG21 ILE 45 HG21 ILE 45 7.113 -0.989 -1.475 151 HG22 ILE 45 HG22 ILE 45 7.178 -1.226 0.272 152 HG23 ILE 45 HG23 ILE 45 8.047 0.119 -0.469 153 HD11 ILE 45 HD11 ILE 45 6.951 3.213 -2.099 154 HD12 ILE 45 HD12 ILE 45 7.980 1.953 -1.417 155 HD13 ILE 45 HD13 ILE 45 7.001 2.963 -0.354 156 H VAL 46 HN VAL 46 3.792 -0.346 1.980 157 HA VAL 46 HA VAL 46 5.172 -2.665 2.959 158 HB VAL 46 HB VAL 46 4.011 -2.232 5.080 159 HG11 VAL 46 HG11 VAL 46 6.078 -1.036 4.567 160 HG12 VAL 46 HG12 VAL 46 4.990 -0.038 5.533 161 HG13 VAL 46 HG13 VAL 46 5.148 0.253 3.801 162 HG21 VAL 46 HG21 VAL 46 2.616 -0.031 3.557 163 HG22 VAL 46 HG22 VAL 46 2.534 -0.288 5.300 164 HG23 VAL 46 HG23 VAL 46 1.864 -1.491 4.199 165 H ILE 47 HN ILE 47 2.015 -2.032 1.663 166 HA ILE 47 HA ILE 47 0.817 -4.424 2.739 167 HB ILE 47 HB ILE 47 -0.180 -2.561 0.581 168 HG12 ILE 47 HG12 ILE 47 -0.969 -2.742 3.495 169 HG13 ILE 47 HG11 ILE 47 0.138 -1.540 2.842 170 HG21 ILE 47 HG21 ILE 47 -1.599 -4.743 2.103 171 HG22 ILE 47 HG22 ILE 47 -1.216 -4.738 0.382 172 HG23 ILE 47 HG23 ILE 47 -2.379 -3.582 1.030 173 HD11 ILE 47 HD11 ILE 47 -1.648 -0.665 1.430 174 HD12 ILE 47 HD12 ILE 47 -2.096 -0.632 3.135 175 HD13 ILE 47 HD13 ILE 47 -2.753 -1.877 2.075 176 H THR 48 HN THR 48 2.477 -3.501 -0.190 177 HA THR 48 HA THR 48 1.594 -5.619 -1.837 178 HB THR 48 HB THR 48 3.627 -5.152 -3.197 179 HG1 THR 48 HG1 THR 48 4.214 -2.981 -1.513 180 HG21 THR 48 HG21 THR 48 2.064 -2.725 -2.313 181 HG22 THR 48 HG22 THR 48 1.593 -3.865 -3.570 182 HG23 THR 48 HG23 THR 48 3.013 -2.844 -3.794 183 H LEU 49 HN LEU 49 4.029 -5.444 0.652 184 HA LEU 49 HA LEU 49 5.379 -7.851 -0.133 185 HB2 LEU 49 HB2 LEU 49 5.525 -5.999 2.199 186 HB3 LEU 49 HB1 LEU 49 6.227 -7.597 2.350 187 HG LEU 49 HG LEU 49 7.612 -7.101 0.316 188 HD11 LEU 49 HD11 LEU 49 6.597 -4.298 0.755 189 HD12 LEU 49 HD12 LEU 49 6.198 -5.336 -0.616 190 HD13 LEU 49 HD13 LEU 49 7.857 -4.786 -0.377 191 HD21 LEU 49 HD21 LEU 49 9.196 -5.665 1.512 192 HD22 LEU 49 HD22 LEU 49 8.539 -6.925 2.558 193 HD23 LEU 49 HD23 LEU 49 7.944 -5.269 2.687 194 H VAL 50 HN VAL 50 2.787 -7.036 2.103 195 HA VAL 50 HA VAL 50 2.757 -9.675 3.268 196 HB VAL 50 HB VAL 50 2.130 -7.676 4.590 197 HG11 VAL 50 HG11 VAL 50 -0.277 -7.655 2.780 198 HG12 VAL 50 HG12 VAL 50 0.958 -6.404 2.915 199 HG13 VAL 50 HG13 VAL 50 -0.127 -6.724 4.269 200 HG21 VAL 50 HG21 VAL 50 -0.032 -9.761 4.295 201 HG22 VAL 50 HG22 VAL 50 0.174 -8.686 5.678 202 HG23 VAL 50 HG23 VAL 50 1.409 -9.887 5.303 203 H MET 51 HN MET 51 1.245 -8.069 0.609 204 HA MET 51 HA MET 51 -0.981 -9.869 0.397 205 HB2 MET 51 HB2 MET 51 0.175 -7.770 -1.425 206 HB3 MET 51 HB1 MET 51 -1.144 -8.813 -1.939 207 HG2 MET 51 HG2 MET 51 -2.487 -8.011 -0.044 208 HG3 MET 51 HG1 MET 51 -1.172 -6.929 0.407 209 HE1 MET 51 HE1 MET 51 -2.388 -7.852 -3.230 210 HE2 MET 51 HE2 MET 51 -3.566 -6.574 -3.525 211 HE3 MET 51 HE3 MET 51 -3.879 -7.797 -2.291 212 H LEU 52 HN LEU 52 1.959 -9.385 -1.571 213 HA LEU 52 HA LEU 52 1.620 -11.578 -3.254 214 HB2 LEU 52 HB2 LEU 52 3.961 -9.958 -2.375 215 HB3 LEU 52 HB1 LEU 52 4.271 -11.458 -3.227 216 HG LEU 52 HG LEU 52 4.290 -9.542 -4.745 217 HD11 LEU 52 HD11 LEU 52 2.749 -10.403 -6.420 218 HD12 LEU 52 HD12 LEU 52 1.920 -11.349 -5.185 219 HD13 LEU 52 HD13 LEU 52 3.594 -11.715 -5.601 220 HD21 LEU 52 HD21 LEU 52 2.167 -8.364 -5.239 221 HD22 LEU 52 HD22 LEU 52 2.784 -8.046 -3.620 222 HD23 LEU 52 HD23 LEU 52 1.440 -9.165 -3.845 223 H LYS 53 HN LYS 53 2.893 -11.388 -0.001 224 HA LYS 53 HA LYS 53 4.053 -13.985 0.055 225 HB2 LYS 53 HB2 LYS 53 4.193 -11.843 1.696 226 HB3 LYS 53 HB1 LYS 53 3.034 -12.822 2.583 227 HG2 LYS 53 HG2 LYS 53 5.707 -13.850 1.667 228 HG3 LYS 53 HG1 LYS 53 5.432 -13.117 3.248 229 HD2 LYS 53 HD2 LYS 53 3.757 -14.837 3.746 230 HD3 LYS 53 HD1 LYS 53 4.043 -15.568 2.165 231 HE2 LYS 53 HE2 LYS 53 5.242 -16.749 3.950 232 HE3 LYS 53 HE1 LYS 53 6.344 -16.040 2.771 233 HZ1 LYS 53 HZ1 LYS 53 5.667 -14.878 5.418 234 HZ2 LYS 53 HZ2 LYS 53 6.733 -14.204 4.291 235 HZ3 LYS 53 HZ3 LYS 53 7.107 -15.677 5.033 236 H LYS 54 HN LYS 54 0.864 -12.700 0.597 237 HA LYS 54 HA LYS 54 -0.197 -15.073 1.811 238 HB2 LYS 54 HB2 LYS 54 -1.208 -12.938 2.321 239 HB3 LYS 54 HB1 LYS 54 -1.532 -12.639 0.620 240 HG2 LYS 54 HG2 LYS 54 -3.085 -14.549 0.606 241 HG3 LYS 54 HG1 LYS 54 -2.795 -14.770 2.332 242 HD2 LYS 54 HD2 LYS 54 -3.696 -12.578 2.804 243 HD3 LYS 54 HD1 LYS 54 -3.874 -12.246 1.080 244 HE2 LYS 54 HE2 LYS 54 -5.306 -14.418 2.604 245 HE3 LYS 54 HE1 LYS 54 -6.004 -12.871 2.129 246 HZ1 LYS 54 HZ1 LYS 54 -4.989 -14.956 0.274 247 HZ2 LYS 54 HZ2 LYS 54 -5.646 -13.468 -0.188 248 HZ3 LYS 54 HZ3 LYS 54 -6.618 -14.616 0.586 249 H LYS 55 HN LYS 55 0.061 -13.779 -1.427 250 HA LYS 55 HA LYS 55 -1.692 -15.781 -2.564 251 HB2 LYS 55 HB2 LYS 55 -1.592 -13.507 -3.515 252 HB3 LYS 55 HB1 LYS 55 0.101 -13.756 -3.922 253 HG2 LYS 55 HG2 LYS 55 -0.564 -15.606 -5.413 254 HG3 LYS 55 HG1 LYS 55 -2.254 -15.255 -5.050 255 HD2 LYS 55 HD2 LYS 55 -1.999 -13.013 -5.974 256 HD3 LYS 55 HD1 LYS 55 -0.296 -13.333 -6.304 257 HE2 LYS 55 HE2 LYS 55 -0.981 -15.183 -7.799 258 HE3 LYS 55 HE1 LYS 55 -2.666 -14.741 -7.526 259 HZ1 LYS 55 HZ1 LYS 55 -2.174 -12.547 -8.462 260 HZ2 LYS 55 HZ2 LYS 55 -1.873 -13.784 -9.575 261 HZ3 LYS 55 HZ3 LYS 55 -0.584 -13.031 -8.778
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