NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
559269 | 2m4e | 19000 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 HT1 MET 1 1.929 -0.846 0.706 2 HA MET 1 HA MET 1 3.063 -0.876 -2.026 3 HB2 MET 1 HB2 MET 1 0.780 0.780 -0.863 4 HB3 MET 1 HB1 MET 1 1.446 0.967 -2.479 5 HG2 MET 1 HG2 MET 1 0.663 -1.303 -3.052 6 HG3 MET 1 HG1 MET 1 -0.032 -1.463 -1.438 7 HE1 MET 1 HE1 MET 1 -1.123 1.623 -1.057 8 HE2 MET 1 HE2 MET 1 -2.032 0.202 -0.543 9 HE3 MET 1 HE3 MET 1 -2.794 1.413 -1.575 10 H SER 2 HN SER 2 5.110 -0.082 -1.600 11 HA SER 2 HA SER 2 5.564 2.228 0.085 12 HB2 SER 2 HB2 SER 2 7.902 2.117 -0.907 13 HB3 SER 2 HB1 SER 2 7.377 0.639 -0.104 14 HG SER 2 HG SER 2 8.167 -0.091 -1.970 15 H LYS 3 HN LYS 3 6.124 4.343 -0.661 16 HA LYS 3 HA LYS 3 4.497 5.312 -2.781 17 HB2 LYS 3 HB2 LYS 3 4.938 6.630 -0.781 18 HB3 LYS 3 HB1 LYS 3 6.664 6.651 -1.121 19 HG2 LYS 3 HG2 LYS 3 6.301 8.076 -3.081 20 HG3 LYS 3 HG1 LYS 3 4.552 7.972 -2.863 21 HD2 LYS 3 HD2 LYS 3 5.494 10.121 -2.016 22 HD3 LYS 3 HD1 LYS 3 4.684 9.192 -0.753 23 HE2 LYS 3 HE2 LYS 3 6.914 8.373 0.027 24 HE3 LYS 3 HE1 LYS 3 7.693 9.382 -1.191 25 HZ1 LYS 3 HZ1 LYS 3 7.666 10.417 0.984 26 HZ2 LYS 3 HZ2 LYS 3 5.978 10.358 1.024 27 HZ3 LYS 3 HZ3 LYS 3 6.765 11.324 -0.120 28 H THR 4 HN THR 4 4.927 5.153 -4.874 29 HA THR 4 HA THR 4 7.412 4.275 -5.930 30 HB THR 4 HB THR 4 6.217 4.598 -8.176 31 HG1 THR 4 HG1 THR 4 4.112 5.260 -8.152 32 HG21 THR 4 HG21 THR 4 6.108 2.418 -6.997 33 HG22 THR 4 HG22 THR 4 4.595 2.773 -7.832 34 HG23 THR 4 HG23 THR 4 4.704 2.982 -6.084 35 H ALA 5 HN ALA 5 9.124 5.467 -6.389 36 HA ALA 5 HA ALA 5 10.519 6.924 -7.371 37 HB1 ALA 5 HB1 ALA 5 8.049 8.173 -8.602 38 HB2 ALA 5 HB2 ALA 5 8.979 6.836 -9.281 39 HB3 ALA 5 HB3 ALA 5 9.717 8.429 -9.121 40 H LYS 6 HN LYS 6 11.071 9.344 -7.583 41 HA LYS 6 HA LYS 6 10.288 10.770 -5.109 42 HB2 LYS 6 HB2 LYS 6 12.789 11.022 -6.844 43 HB3 LYS 6 HB1 LYS 6 12.390 12.166 -5.571 44 HG2 LYS 6 HG2 LYS 6 13.954 10.711 -4.587 45 HG3 LYS 6 HG1 LYS 6 12.397 10.180 -3.955 46 HD2 LYS 6 HD2 LYS 6 13.716 8.220 -4.532 47 HD3 LYS 6 HD1 LYS 6 12.372 8.346 -5.670 48 HE2 LYS 6 HE2 LYS 6 14.447 7.747 -6.835 49 HE3 LYS 6 HE1 LYS 6 13.890 9.339 -7.351 50 HZ1 LYS 6 HZ1 LYS 6 16.249 9.367 -6.971 51 HZ2 LYS 6 HZ2 LYS 6 16.059 8.786 -5.395 52 HZ3 LYS 6 HZ3 LYS 6 15.492 10.327 -5.804 53 H LEU 7 HN LEU 7 10.103 13.111 -5.235 54 HA LEU 7 HA LEU 7 8.963 14.118 -7.785 55 HB2 LEU 7 HB2 LEU 7 7.244 13.400 -6.071 56 HB3 LEU 7 HB1 LEU 7 7.881 14.597 -4.965 57 HG LEU 7 HG LEU 7 6.812 15.484 -7.665 58 HD11 LEU 7 HD11 LEU 7 5.071 14.946 -5.234 59 HD12 LEU 7 HD12 LEU 7 5.044 14.047 -6.755 60 HD13 LEU 7 HD13 LEU 7 4.562 15.739 -6.730 61 HD21 LEU 7 HD21 LEU 7 7.946 17.175 -6.272 62 HD22 LEU 7 HD22 LEU 7 6.818 16.853 -4.953 63 HD23 LEU 7 HD23 LEU 7 6.235 17.547 -6.470 64 H ASN 8 HN ASN 8 10.505 15.541 -8.436 65 HA ASN 8 HA ASN 8 12.178 16.935 -6.484 66 HB2 ASN 8 HB2 ASN 8 12.469 16.765 -9.516 67 HB3 ASN 8 HB1 ASN 8 13.651 17.453 -8.405 68 HD21 ASN 8 HD21 ASN 8 14.870 16.054 -7.091 69 HD22 ASN 8 HD22 ASN 8 14.968 14.358 -7.387 70 H ASN 9 HN ASN 9 11.417 18.371 -9.657 71 HA ASN 9 HA ASN 9 10.652 20.869 -8.346 72 HB2 ASN 9 HB2 ASN 9 12.173 20.916 -10.329 73 HB3 ASN 9 HB1 ASN 9 10.894 20.223 -11.326 74 HD21 ASN 9 HD21 ASN 9 11.023 22.089 -12.699 75 HD22 ASN 9 HD22 ASN 9 10.325 23.597 -12.228 76 H GLU 10 HN GLU 10 8.690 20.522 -7.437 77 HA GLU 10 HA GLU 10 6.479 19.132 -8.308 78 HB2 GLU 10 HB2 GLU 10 6.713 20.119 -6.038 79 HB3 GLU 10 HB1 GLU 10 6.491 21.731 -6.711 80 HG2 GLU 10 HG2 GLU 10 4.194 21.075 -7.441 81 HG3 GLU 10 HG1 GLU 10 4.430 19.505 -6.683 82 H GLU 11 HN GLU 11 7.521 22.348 -9.204 83 HA GLU 11 HA GLU 11 5.303 23.536 -10.295 84 HB2 GLU 11 HB2 GLU 11 7.587 24.546 -9.977 85 HB3 GLU 11 HB1 GLU 11 8.127 23.694 -11.419 86 HG2 GLU 11 HG2 GLU 11 6.407 24.948 -12.743 87 HG3 GLU 11 HG1 GLU 11 6.006 25.863 -11.291 88 H LYS 12 HN LYS 12 7.458 21.184 -11.893 89 HA LYS 12 HA LYS 12 6.327 21.428 -14.513 90 HB2 LYS 12 HB2 LYS 12 7.951 19.117 -13.378 91 HB3 LYS 12 HB1 LYS 12 7.662 19.448 -15.088 92 HG2 LYS 12 HG2 LYS 12 8.862 21.709 -14.652 93 HG3 LYS 12 HG1 LYS 12 9.378 20.991 -13.128 94 HD2 LYS 12 HD2 LYS 12 11.150 20.728 -14.763 95 HD3 LYS 12 HD1 LYS 12 10.468 19.137 -14.408 96 HE2 LYS 12 HE2 LYS 12 9.132 19.254 -16.491 97 HE3 LYS 12 HE1 LYS 12 9.813 20.843 -16.843 98 HZ1 LYS 12 HZ1 LYS 12 11.970 19.861 -17.064 99 HZ2 LYS 12 HZ2 LYS 12 10.890 19.019 -18.049 100 HZ3 LYS 12 HZ3 LYS 12 11.399 18.346 -16.585 101 H LEU 13 HN LEU 13 5.754 19.353 -11.757 102 HA LEU 13 HA LEU 13 3.960 17.530 -13.037 103 HB2 LEU 13 HB2 LEU 13 4.448 18.132 -10.098 104 HB3 LEU 13 HB1 LEU 13 3.352 16.884 -10.668 105 HG LEU 13 HG LEU 13 5.493 16.024 -11.979 106 HD11 LEU 13 HD11 LEU 13 7.594 16.307 -10.795 107 HD12 LEU 13 HD12 LEU 13 6.834 17.455 -9.688 108 HD13 LEU 13 HD13 LEU 13 6.990 17.849 -11.404 109 HD21 LEU 13 HD21 LEU 13 4.298 14.691 -10.352 110 HD22 LEU 13 HD22 LEU 13 5.121 15.517 -9.027 111 HD23 LEU 13 HD23 LEU 13 6.038 14.501 -10.143 112 H VAL 14 HN VAL 14 3.552 20.513 -11.199 113 HA VAL 14 HA VAL 14 0.740 20.602 -11.008 114 HB VAL 14 HB VAL 14 2.724 22.915 -11.245 115 HG11 VAL 14 HG11 VAL 14 0.440 23.719 -11.721 116 HG12 VAL 14 HG12 VAL 14 0.984 24.323 -10.156 117 HG13 VAL 14 HG13 VAL 14 -0.154 22.976 -10.231 118 HG21 VAL 14 HG21 VAL 14 3.234 21.450 -9.351 119 HG22 VAL 14 HG22 VAL 14 1.579 21.589 -8.761 120 HG23 VAL 14 HG23 VAL 14 2.633 23.006 -8.778 121 H LYS 15 HN LYS 15 2.971 21.987 -13.426 122 HA LYS 15 HA LYS 15 1.144 23.063 -15.242 123 HB2 LYS 15 HB2 LYS 15 3.918 21.901 -15.689 124 HB3 LYS 15 HB1 LYS 15 3.036 22.798 -16.924 125 HG2 LYS 15 HG2 LYS 15 3.096 24.816 -15.582 126 HG3 LYS 15 HG1 LYS 15 3.802 23.942 -14.220 127 HD2 LYS 15 HD2 LYS 15 5.845 23.523 -15.473 128 HD3 LYS 15 HD1 LYS 15 5.150 24.230 -16.932 129 HE2 LYS 15 HE2 LYS 15 5.096 26.432 -15.871 130 HE3 LYS 15 HE1 LYS 15 5.692 25.742 -14.358 131 HZ1 LYS 15 HZ1 LYS 15 7.136 25.974 -16.931 132 HZ2 LYS 15 HZ2 LYS 15 7.684 25.019 -15.653 133 HZ3 LYS 15 HZ3 LYS 15 7.529 26.688 -15.447 134 H LYS 16 HN LYS 16 2.515 19.783 -15.059 135 HA LYS 16 HA LYS 16 1.373 18.833 -17.498 136 HB2 LYS 16 HB2 LYS 16 3.375 17.830 -16.330 137 HB3 LYS 16 HB1 LYS 16 2.286 17.175 -15.118 138 HG2 LYS 16 HG2 LYS 16 2.870 15.438 -16.701 139 HG3 LYS 16 HG1 LYS 16 1.156 15.828 -16.885 140 HD2 LYS 16 HD2 LYS 16 1.681 17.206 -18.864 141 HD3 LYS 16 HD1 LYS 16 3.399 16.853 -18.672 142 HE2 LYS 16 HE2 LYS 16 2.931 14.451 -19.078 143 HE3 LYS 16 HE1 LYS 16 1.215 14.827 -19.284 144 HZ1 LYS 16 HZ1 LYS 16 3.443 15.819 -20.978 145 HZ2 LYS 16 HZ2 LYS 16 1.819 16.250 -21.161 146 HZ3 LYS 16 HZ3 LYS 16 2.303 14.649 -21.409 147 H ALA 17 HN ALA 17 0.272 19.001 -14.178 148 HA ALA 17 HA ALA 17 -2.093 17.401 -14.554 149 HB1 ALA 17 HB1 ALA 17 -2.752 18.231 -12.340 150 HB2 ALA 17 HB2 ALA 17 -1.424 19.396 -12.373 151 HB3 ALA 17 HB3 ALA 17 -1.080 17.666 -12.340 152 H LEU 18 HN LEU 18 -1.265 20.825 -14.945 153 HA LEU 18 HA LEU 18 -3.915 21.798 -15.417 154 HB2 LEU 18 HB2 LEU 18 -1.347 22.921 -16.624 155 HB3 LEU 18 HB1 LEU 18 -2.882 23.759 -16.455 156 HG LEU 18 HG LEU 18 -0.977 22.980 -14.221 157 HD11 LEU 18 HD11 LEU 18 -0.240 24.939 -15.477 158 HD12 LEU 18 HD12 LEU 18 -0.717 25.375 -13.839 159 HD13 LEU 18 HD13 LEU 18 -1.795 25.730 -15.194 160 HD21 LEU 18 HD21 LEU 18 -2.504 24.083 -12.657 161 HD22 LEU 18 HD22 LEU 18 -3.253 22.683 -13.413 162 HD23 LEU 18 HD23 LEU 18 -3.685 24.309 -13.952 163 H GLU 19 HN GLU 19 -1.438 20.283 -17.391 164 HA GLU 19 HA GLU 19 -2.654 20.589 -19.942 165 HB2 GLU 19 HB2 GLU 19 -0.622 18.563 -18.928 166 HB3 GLU 19 HB1 GLU 19 -1.076 18.733 -20.622 167 HG2 GLU 19 HG2 GLU 19 -0.129 20.957 -20.724 168 HG3 GLU 19 HG1 GLU 19 0.140 20.974 -18.980 169 H ILE 20 HN ILE 20 -2.471 17.720 -17.785 170 HA ILE 20 HA ILE 20 -4.177 16.120 -19.426 171 HB ILE 20 HB ILE 20 -3.436 15.584 -16.512 172 HG12 ILE 20 HG12 ILE 20 -1.374 15.886 -17.873 173 HG13 ILE 20 HG11 ILE 20 -1.546 14.224 -17.336 174 HG21 ILE 20 HG21 ILE 20 -5.300 14.191 -17.296 175 HG22 ILE 20 HG22 ILE 20 -3.859 13.198 -17.082 176 HG23 ILE 20 HG23 ILE 20 -4.364 13.682 -18.703 177 HD11 ILE 20 HD11 ILE 20 -0.728 14.333 -19.597 178 HD12 ILE 20 HD12 ILE 20 -2.136 15.267 -20.102 179 HD13 ILE 20 HD13 ILE 20 -2.327 13.593 -19.568 180 H GLY 21 HN GLY 21 -4.634 17.730 -16.265 181 HA2 GLY 21 HA2 GLY 21 -7.358 17.074 -15.884 182 HA3 GLY 21 HA1 GLY 21 -6.499 18.401 -15.115 183 H GLY 22 HN GLY 22 -5.779 19.813 -17.509 184 HA2 GLY 22 HA2 GLY 22 -8.098 21.393 -17.951 185 HA3 GLY 22 HA1 GLY 22 -6.573 21.526 -18.810 186 H LYS 23 HN LYS 23 -6.357 19.108 -20.079 187 HA LYS 23 HA LYS 23 -8.087 19.462 -22.328 188 HB2 LYS 23 HB2 LYS 23 -6.903 17.659 -23.406 189 HB3 LYS 23 HB1 LYS 23 -5.718 18.623 -22.534 190 HG2 LYS 23 HG2 LYS 23 -5.513 16.961 -20.805 191 HG3 LYS 23 HG1 LYS 23 -6.892 16.055 -21.428 192 HD2 LYS 23 HD2 LYS 23 -5.645 15.489 -23.452 193 HD3 LYS 23 HD1 LYS 23 -4.255 16.430 -22.896 194 HE2 LYS 23 HE2 LYS 23 -4.035 14.906 -20.944 195 HE3 LYS 23 HE1 LYS 23 -5.404 13.966 -21.529 196 HZ1 LYS 23 HZ1 LYS 23 -2.829 14.325 -22.962 197 HZ2 LYS 23 HZ2 LYS 23 -4.128 13.378 -23.482 198 HZ3 LYS 23 HZ3 LYS 23 -3.280 12.954 -22.083 199 H MET 24 HN MET 24 -7.976 17.152 -19.628 200 HA MET 24 HA MET 24 -9.945 15.354 -20.573 201 HB2 MET 24 HB2 MET 24 -8.941 15.959 -17.780 202 HB3 MET 24 HB1 MET 24 -10.299 14.868 -18.004 203 HG2 MET 24 HG2 MET 24 -8.745 13.530 -19.561 204 HG3 MET 24 HG1 MET 24 -7.436 14.497 -18.880 205 HE1 MET 24 HE1 MET 24 -8.906 14.745 -15.798 206 HE2 MET 24 HE2 MET 24 -7.167 14.683 -16.099 207 HE3 MET 24 HE3 MET 24 -7.918 13.523 -15.000 208 H ALA 25 HN ALA 25 -10.189 18.142 -18.319 209 HA ALA 25 HA ALA 25 -12.925 18.234 -17.890 210 HB1 ALA 25 HB1 ALA 25 -11.327 19.702 -16.724 211 HB2 ALA 25 HB2 ALA 25 -12.643 20.646 -17.427 212 HB3 ALA 25 HB3 ALA 25 -11.060 20.617 -18.211 213 H LYS 26 HN LYS 26 -11.075 19.698 -20.516 214 HA LYS 26 HA LYS 26 -13.123 21.013 -21.868 215 HB2 LYS 26 HB2 LYS 26 -10.614 21.257 -22.182 216 HB3 LYS 26 HB1 LYS 26 -10.649 19.790 -23.152 217 HG2 LYS 26 HG2 LYS 26 -12.045 20.871 -24.833 218 HG3 LYS 26 HG1 LYS 26 -12.216 22.315 -23.828 219 HD2 LYS 26 HD2 LYS 26 -9.626 21.294 -25.086 220 HD3 LYS 26 HD1 LYS 26 -10.564 22.688 -25.627 221 HE2 LYS 26 HE2 LYS 26 -10.096 23.835 -23.484 222 HE3 LYS 26 HE1 LYS 26 -9.180 22.433 -22.929 223 HZ1 LYS 26 HZ1 LYS 26 -7.732 24.164 -23.757 224 HZ2 LYS 26 HZ2 LYS 26 -8.504 24.138 -25.260 225 HZ3 LYS 26 HZ3 LYS 26 -7.618 22.792 -24.743 226 H MET 27 HN MET 27 -11.718 17.799 -22.579 227 HA MET 27 HA MET 27 -13.538 16.984 -24.581 228 HB2 MET 27 HB2 MET 27 -11.805 15.332 -22.713 229 HB3 MET 27 HB1 MET 27 -12.668 14.660 -24.095 230 HG2 MET 27 HG2 MET 27 -11.356 16.137 -25.603 231 HG3 MET 27 HG1 MET 27 -10.453 16.726 -24.208 232 HE1 MET 27 HE1 MET 27 -10.094 13.964 -22.497 233 HE2 MET 27 HE2 MET 27 -8.812 15.153 -22.742 234 HE3 MET 27 HE3 MET 27 -8.520 13.452 -23.106 235 H GLN 28 HN GLN 28 -13.784 16.795 -21.073 236 HA GLN 28 HA GLN 28 -15.987 14.938 -20.970 237 HB2 GLN 28 HB2 GLN 28 -14.854 16.846 -18.881 238 HB3 GLN 28 HB1 GLN 28 -16.183 15.737 -18.547 239 HG2 GLN 28 HG2 GLN 28 -13.346 14.973 -19.308 240 HG3 GLN 28 HG1 GLN 28 -14.045 14.857 -17.700 241 HE21 GLN 28 HE21 GLN 28 -12.828 12.772 -19.322 242 HE22 GLN 28 HE22 GLN 28 -14.021 11.540 -19.517 243 H GLY 29 HN GLY 29 -15.601 18.352 -21.426 244 HA2 GLY 29 HA2 GLY 29 -17.380 19.197 -22.956 245 HA3 GLY 29 HA1 GLY 29 -18.556 18.620 -21.782 246 H PHE 30 HN PHE 30 -15.472 20.325 -21.296 247 HA PHE 30 HA PHE 30 -16.916 22.614 -20.049 248 HB2 PHE 30 HB2 PHE 30 -14.606 21.101 -18.721 249 HB3 PHE 30 HB1 PHE 30 -15.349 22.571 -18.104 250 HD1 PHE 30 HD1 PHE 30 -17.827 22.490 -17.425 251 HD2 PHE 30 HD2 PHE 30 -15.500 18.969 -18.118 252 HE1 PHE 30 HE1 PHE 30 -19.452 21.155 -16.147 253 HE2 PHE 30 HE2 PHE 30 -17.131 17.642 -16.838 254 HZ PHE 30 HZ PHE 30 -19.108 18.735 -15.852 255 H ASP 31 HN ASP 31 -15.005 24.247 -19.315 256 HA ASP 31 HA ASP 31 -12.650 24.222 -20.977 257 HB2 ASP 31 HB2 ASP 31 -14.301 25.261 -22.537 258 HB3 ASP 31 HB1 ASP 31 -14.697 26.476 -21.326 259 H LEU 32 HN LEU 32 -11.347 24.395 -19.233 260 HA LEU 32 HA LEU 32 -11.774 26.160 -17.028 261 HB2 LEU 32 HB2 LEU 32 -9.183 24.840 -17.954 262 HB3 LEU 32 HB1 LEU 32 -9.465 25.563 -16.376 263 HG LEU 32 HG LEU 32 -10.786 23.036 -17.468 264 HD11 LEU 32 HD11 LEU 32 -9.608 21.868 -15.676 265 HD12 LEU 32 HD12 LEU 32 -8.861 23.379 -15.151 266 HD13 LEU 32 HD13 LEU 32 -8.470 22.701 -16.733 267 HD21 LEU 32 HD21 LEU 32 -12.426 24.261 -16.121 268 HD22 LEU 32 HD22 LEU 32 -11.273 24.389 -14.790 269 HD23 LEU 32 HD23 LEU 32 -11.893 22.809 -15.277 270 HA PRO 33 HA PRO 33 -10.661 29.835 -19.229 271 HB2 PRO 33 HB2 PRO 33 -10.474 31.638 -17.220 272 HB3 PRO 33 HB1 PRO 33 -12.005 30.824 -17.587 273 HG2 PRO 33 HG2 PRO 33 -9.984 30.175 -15.439 274 HG3 PRO 33 HG1 PRO 33 -11.753 30.300 -15.304 275 HD2 PRO 33 HD2 PRO 33 -10.434 27.902 -15.596 276 HD3 PRO 33 HD1 PRO 33 -12.095 28.171 -16.167 277 H GLN 34 HN GLN 34 -8.878 30.866 -20.062 278 HA GLN 34 HA GLN 34 -6.217 30.360 -19.008 279 HB2 GLN 34 HB2 GLN 34 -6.683 30.400 -21.485 280 HB3 GLN 34 HB1 GLN 34 -7.070 32.113 -21.367 281 HG2 GLN 34 HG2 GLN 34 -4.737 32.563 -20.627 282 HG3 GLN 34 HG1 GLN 34 -4.365 30.849 -20.808 283 HE21 GLN 34 HE21 GLN 34 -2.760 31.273 -22.362 284 HE22 GLN 34 HE22 GLN 34 -3.134 31.787 -23.968 285 H SER 35 HN SER 35 -6.539 31.326 -16.986 286 HA SER 35 HA SER 35 -6.536 34.290 -16.825 287 HB2 SER 35 HB2 SER 35 -7.759 32.256 -14.884 288 HB3 SER 35 HB1 SER 35 -7.809 34.011 -14.701 289 HG SER 35 HG SER 35 -8.757 33.413 -17.112 290 HA PRO 36 HA PRO 36 -2.701 35.118 -15.048 291 HB2 PRO 36 HB2 PRO 36 -3.617 34.256 -12.295 292 HB3 PRO 36 HB1 PRO 36 -2.529 35.581 -12.739 293 HG2 PRO 36 HG2 PRO 36 -5.239 35.900 -12.303 294 HG3 PRO 36 HG1 PRO 36 -4.274 36.981 -13.327 295 HD2 PRO 36 HD2 PRO 36 -6.411 35.244 -14.162 296 HD3 PRO 36 HD1 PRO 36 -5.375 36.244 -15.199 297 H GLN 37 HN GLN 37 -3.162 32.552 -12.605 298 HA GLN 37 HA GLN 37 -2.277 30.357 -14.114 299 HB2 GLN 37 HB2 GLN 37 -0.059 31.798 -12.699 300 HB3 GLN 37 HB1 GLN 37 -0.091 30.060 -12.455 301 HG2 GLN 37 HG2 GLN 37 0.148 31.508 -15.102 302 HG3 GLN 37 HG1 GLN 37 1.403 30.591 -14.276 303 HE21 GLN 37 HE21 GLN 37 1.302 28.300 -14.312 304 HE22 GLN 37 HE22 GLN 37 0.302 27.458 -15.443 305 HA PRO 38 HA PRO 38 -2.457 28.829 -9.495 306 HB2 PRO 38 HB2 PRO 38 -3.190 30.525 -7.473 307 HB3 PRO 38 HB1 PRO 38 -1.511 30.334 -7.998 308 HG2 PRO 38 HG2 PRO 38 -3.503 32.470 -8.775 309 HG3 PRO 38 HG1 PRO 38 -1.814 32.662 -8.251 310 HD2 PRO 38 HD2 PRO 38 -2.492 32.727 -10.872 311 HD3 PRO 38 HD1 PRO 38 -0.957 32.011 -10.340 312 H VAL 39 HN VAL 39 -4.751 31.189 -10.599 313 HA VAL 39 HA VAL 39 -7.155 30.147 -9.531 314 HB VAL 39 HB VAL 39 -8.232 31.363 -11.515 315 HG11 VAL 39 HG11 VAL 39 -7.674 33.639 -10.667 316 HG12 VAL 39 HG12 VAL 39 -6.319 32.961 -9.760 317 HG13 VAL 39 HG13 VAL 39 -7.973 32.497 -9.356 318 HG21 VAL 39 HG21 VAL 39 -5.346 32.166 -12.084 319 HG22 VAL 39 HG22 VAL 39 -6.771 32.876 -12.847 320 HG23 VAL 39 HG23 VAL 39 -6.375 31.179 -13.125 321 H ARG 40 HN ARG 40 -5.346 29.401 -12.510 322 HA ARG 40 HA ARG 40 -7.266 27.576 -13.633 323 HB2 ARG 40 HB2 ARG 40 -4.273 27.808 -14.198 324 HB3 ARG 40 HB1 ARG 40 -5.443 26.931 -15.188 325 HG2 ARG 40 HG2 ARG 40 -6.589 29.062 -15.699 326 HG3 ARG 40 HG1 ARG 40 -5.401 29.927 -14.719 327 HD2 ARG 40 HD2 ARG 40 -4.850 30.094 -17.101 328 HD3 ARG 40 HD1 ARG 40 -3.598 29.190 -16.237 329 HE ARG 40 HE ARG 40 -5.744 27.734 -17.631 330 HH11 ARG 40 HH11 ARG 40 -2.337 28.611 -17.519 331 HH12 ARG 40 HH12 ARG 40 -1.861 27.355 -18.616 332 HH21 ARG 40 HH21 ARG 40 -5.103 26.100 -19.049 333 HH22 ARG 40 HH22 ARG 40 -3.435 25.942 -19.494 334 H VAL 41 HN VAL 41 -4.395 27.322 -11.654 335 HA VAL 41 HA VAL 41 -4.056 24.553 -11.441 336 HB VAL 41 HB VAL 41 -3.440 26.781 -9.441 337 HG11 VAL 41 HG11 VAL 41 -2.309 23.963 -9.466 338 HG12 VAL 41 HG12 VAL 41 -3.461 24.599 -8.296 339 HG13 VAL 41 HG13 VAL 41 -1.838 25.269 -8.376 340 HG21 VAL 41 HG21 VAL 41 -2.307 27.065 -11.617 341 HG22 VAL 41 HG22 VAL 41 -1.633 25.439 -11.495 342 HG23 VAL 41 HG23 VAL 41 -1.139 26.688 -10.348 343 H LYS 42 HN LYS 42 -6.028 26.799 -9.547 344 HA LYS 42 HA LYS 42 -7.057 24.851 -7.704 345 HB2 LYS 42 HB2 LYS 42 -6.802 27.482 -7.486 346 HB3 LYS 42 HB1 LYS 42 -8.392 27.530 -8.226 347 HG2 LYS 42 HG2 LYS 42 -7.801 25.946 -5.709 348 HG3 LYS 42 HG1 LYS 42 -8.273 27.643 -5.664 349 HD2 LYS 42 HD2 LYS 42 -9.940 25.363 -6.809 350 HD3 LYS 42 HD1 LYS 42 -10.182 26.121 -5.234 351 HE2 LYS 42 HE2 LYS 42 -10.444 27.521 -7.927 352 HE3 LYS 42 HE1 LYS 42 -11.781 26.981 -6.910 353 HZ1 LYS 42 HZ1 LYS 42 -10.984 28.491 -5.173 354 HZ2 LYS 42 HZ2 LYS 42 -11.400 29.312 -6.591 355 HZ3 LYS 42 HZ3 LYS 42 -9.776 29.051 -6.214 356 H ALA 43 HN ALA 43 -8.200 26.291 -10.746 357 HA ALA 43 HA ALA 43 -10.805 25.229 -10.882 358 HB1 ALA 43 HB1 ALA 43 -10.656 25.614 -13.311 359 HB2 ALA 43 HB2 ALA 43 -8.903 25.792 -13.186 360 HB3 ALA 43 HB3 ALA 43 -9.966 26.970 -12.415 361 H VAL 44 HN VAL 44 -7.751 23.888 -12.118 362 HA VAL 44 HA VAL 44 -8.654 21.449 -13.178 363 HB VAL 44 HB VAL 44 -5.933 22.205 -11.999 364 HG11 VAL 44 HG11 VAL 44 -6.158 19.748 -11.896 365 HG12 VAL 44 HG12 VAL 44 -4.989 20.212 -13.130 366 HG13 VAL 44 HG13 VAL 44 -6.612 19.703 -13.602 367 HG21 VAL 44 HG21 VAL 44 -6.593 23.459 -14.038 368 HG22 VAL 44 HG22 VAL 44 -6.812 21.937 -14.903 369 HG23 VAL 44 HG23 VAL 44 -5.209 22.408 -14.338 370 H TYR 45 HN TYR 45 -7.401 22.274 -9.955 371 HA TYR 45 HA TYR 45 -7.524 19.852 -8.639 372 HB2 TYR 45 HB2 TYR 45 -6.491 21.655 -7.518 373 HB3 TYR 45 HB1 TYR 45 -7.872 22.719 -7.734 374 HD1 TYR 45 HD1 TYR 45 -6.545 19.875 -5.715 375 HD2 TYR 45 HD2 TYR 45 -9.669 22.765 -6.130 376 HE1 TYR 45 HE1 TYR 45 -7.338 19.363 -3.439 377 HE2 TYR 45 HE2 TYR 45 -10.447 22.253 -3.869 378 HH TYR 45 HH TYR 45 -10.354 20.444 -2.278 379 H LEU 46 HN LEU 46 -10.173 22.287 -8.832 380 HA LEU 46 HA LEU 46 -12.125 20.902 -7.353 381 HB2 LEU 46 HB2 LEU 46 -12.522 22.874 -9.635 382 HB3 LEU 46 HB1 LEU 46 -13.813 22.319 -8.577 383 HG LEU 46 HG LEU 46 -11.408 23.990 -7.746 384 HD11 LEU 46 HD11 LEU 46 -13.072 25.748 -7.310 385 HD12 LEU 46 HD12 LEU 46 -14.348 24.708 -7.949 386 HD13 LEU 46 HD13 LEU 46 -13.049 25.271 -9.006 387 HD21 LEU 46 HD21 LEU 46 -13.692 22.956 -6.025 388 HD22 LEU 46 HD22 LEU 46 -12.473 24.129 -5.516 389 HD23 LEU 46 HD23 LEU 46 -11.993 22.482 -5.914 390 H PHE 47 HN PHE 47 -11.494 20.939 -10.844 391 HA PHE 47 HA PHE 47 -13.509 19.171 -11.688 392 HB2 PHE 47 HB2 PHE 47 -12.448 20.390 -13.418 393 HB3 PHE 47 HB1 PHE 47 -10.831 20.000 -12.842 394 HD1 PHE 47 HD1 PHE 47 -13.875 18.356 -14.343 395 HD2 PHE 47 HD2 PHE 47 -9.621 18.293 -13.902 396 HE1 PHE 47 HE1 PHE 47 -13.732 16.447 -15.889 397 HE2 PHE 47 HE2 PHE 47 -9.489 16.404 -15.446 398 HZ PHE 47 HZ PHE 47 -11.544 15.466 -16.445 399 H LEU 48 HN LEU 48 -10.182 18.486 -10.582 400 HA LEU 48 HA LEU 48 -10.256 15.682 -11.080 401 HB2 LEU 48 HB2 LEU 48 -8.417 17.318 -9.307 402 HB3 LEU 48 HB1 LEU 48 -8.189 15.605 -9.631 403 HG LEU 48 HG LEU 48 -8.011 17.872 -11.656 404 HD11 LEU 48 HD11 LEU 48 -6.073 17.705 -10.186 405 HD12 LEU 48 HD12 LEU 48 -5.657 17.246 -11.833 406 HD13 LEU 48 HD13 LEU 48 -5.876 16.000 -10.600 407 HD21 LEU 48 HD21 LEU 48 -7.366 16.180 -13.321 408 HD22 LEU 48 HD22 LEU 48 -9.013 15.929 -12.752 409 HD23 LEU 48 HD23 LEU 48 -7.710 14.893 -12.161 410 H VAL 49 HN VAL 49 -11.051 17.616 -8.199 411 HA VAL 49 HA VAL 49 -11.324 15.402 -6.398 412 HB VAL 49 HB VAL 49 -12.557 18.196 -6.222 413 HG11 VAL 49 HG11 VAL 49 -12.364 16.055 -4.061 414 HG12 VAL 49 HG12 VAL 49 -13.848 16.609 -4.842 415 HG13 VAL 49 HG13 VAL 49 -12.934 17.711 -3.812 416 HG21 VAL 49 HG21 VAL 49 -10.748 18.672 -4.588 417 HG22 VAL 49 HG22 VAL 49 -10.087 18.237 -6.164 418 HG23 VAL 49 HG23 VAL 49 -10.085 17.056 -4.855 419 H ASP 50 HN ASP 50 -13.484 17.165 -8.559 420 HA ASP 50 HA ASP 50 -15.941 15.857 -8.026 421 HB2 ASP 50 HB2 ASP 50 -15.786 17.963 -9.314 422 HB3 ASP 50 HB1 ASP 50 -14.902 17.149 -10.592 423 H ALA 51 HN ALA 51 -13.270 15.168 -10.198 424 HA ALA 51 HA ALA 51 -14.511 12.891 -11.500 425 HB1 ALA 51 HB1 ALA 51 -12.397 12.804 -12.781 426 HB2 ALA 51 HB2 ALA 51 -11.698 14.027 -11.714 427 HB3 ALA 51 HB3 ALA 51 -13.058 14.443 -12.758 428 H LYS 52 HN LYS 52 -13.140 13.299 -8.526 429 HA LYS 52 HA LYS 52 -12.435 11.988 -6.848 430 HB2 LYS 52 HB2 LYS 52 -13.321 9.629 -8.571 431 HB3 LYS 52 HB1 LYS 52 -13.073 9.613 -6.823 432 HG2 LYS 52 HG2 LYS 52 -15.202 11.163 -8.338 433 HG3 LYS 52 HG1 LYS 52 -15.457 9.735 -7.330 434 HD2 LYS 52 HD2 LYS 52 -14.891 10.978 -5.317 435 HD3 LYS 52 HD1 LYS 52 -14.362 12.372 -6.264 436 HE2 LYS 52 HE2 LYS 52 -16.573 12.763 -5.278 437 HE3 LYS 52 HE1 LYS 52 -16.668 12.741 -7.039 438 HZ1 LYS 52 HZ1 LYS 52 -17.377 10.476 -5.252 439 HZ2 LYS 52 HZ2 LYS 52 -17.510 10.493 -6.936 440 HZ3 LYS 52 HZ3 LYS 52 -18.476 11.519 -6.004 441 H GLN 53 HN GLN 53 -10.701 12.634 -9.153 442 HA GLN 53 HA GLN 53 -8.609 10.721 -9.340 443 HB2 GLN 53 HB2 GLN 53 -8.654 13.714 -9.938 444 HB3 GLN 53 HB1 GLN 53 -7.364 12.615 -10.400 445 HG2 GLN 53 HG2 GLN 53 -10.227 12.463 -11.378 446 HG3 GLN 53 HG1 GLN 53 -8.879 13.146 -12.288 447 HE21 GLN 53 HE21 GLN 53 -10.696 10.878 -12.891 448 HE22 GLN 53 HE22 GLN 53 -9.662 9.530 -13.197 449 H ILE 54 HN ILE 54 -9.269 13.537 -7.297 450 HA ILE 54 HA ILE 54 -7.237 12.643 -5.352 451 HB ILE 54 HB ILE 54 -6.690 15.080 -4.833 452 HG12 ILE 54 HG12 ILE 54 -8.072 15.568 -7.509 453 HG13 ILE 54 HG11 ILE 54 -8.610 16.157 -5.941 454 HG21 ILE 54 HG21 ILE 54 -5.012 15.327 -6.606 455 HG22 ILE 54 HG22 ILE 54 -5.846 14.110 -7.576 456 HG23 ILE 54 HG23 ILE 54 -5.102 13.658 -6.040 457 HD11 ILE 54 HD11 ILE 54 -7.599 17.925 -7.215 458 HD12 ILE 54 HD12 ILE 54 -6.115 16.993 -7.412 459 HD13 ILE 54 HD13 ILE 54 -6.595 17.567 -5.810 460 H ALA 55 HN ALA 55 -7.632 13.545 -3.183 461 HA ALA 55 HA ALA 55 -10.467 13.559 -2.490 462 HB1 ALA 55 HB1 ALA 55 -7.999 13.454 -0.705 463 HB2 ALA 55 HB2 ALA 55 -8.933 12.066 -1.256 464 HB3 ALA 55 HB3 ALA 55 -9.672 13.241 -0.168 465 HA PRO 56 HA PRO 56 -10.648 18.003 -1.961 466 HB2 PRO 56 HB2 PRO 56 -12.712 18.260 -0.153 467 HB3 PRO 56 HB1 PRO 56 -12.951 17.788 -1.838 468 HG2 PRO 56 HG2 PRO 56 -12.786 16.034 0.608 469 HG3 PRO 56 HG1 PRO 56 -13.958 15.977 -0.728 470 HD2 PRO 56 HD2 PRO 56 -11.838 14.287 -0.611 471 HD3 PRO 56 HD1 PRO 56 -12.464 14.888 -2.162 472 H LEU 57 HN LEU 57 -9.094 19.070 -0.967 473 HA LEU 57 HA LEU 57 -8.171 18.829 1.695 474 HB2 LEU 57 HB2 LEU 57 -8.049 21.206 -0.207 475 HB3 LEU 57 HB1 LEU 57 -7.073 21.018 1.244 476 HG LEU 57 HG LEU 57 -6.914 19.138 -1.154 477 HD11 LEU 57 HD11 LEU 57 -6.218 21.374 -1.844 478 HD12 LEU 57 HD12 LEU 57 -4.832 20.291 -1.762 479 HD13 LEU 57 HD13 LEU 57 -5.098 21.476 -0.481 480 HD21 LEU 57 HD21 LEU 57 -5.052 19.444 1.237 481 HD22 LEU 57 HD22 LEU 57 -4.810 18.357 -0.134 482 HD23 LEU 57 HD23 LEU 57 -6.167 18.103 0.958 483 HA PRO 58 HA PRO 58 -11.439 21.274 3.834 484 HB2 PRO 58 HB2 PRO 58 -10.004 22.049 6.052 485 HB3 PRO 58 HB1 PRO 58 -10.659 20.418 5.854 486 HG2 PRO 58 HG2 PRO 58 -7.863 21.412 5.302 487 HG3 PRO 58 HG1 PRO 58 -8.375 19.953 6.180 488 HD2 PRO 58 HD2 PRO 58 -7.568 19.822 3.609 489 HD3 PRO 58 HD1 PRO 58 -8.889 18.788 4.206 490 H ASP 59 HN ASP 59 -11.721 23.592 4.586 491 HA ASP 59 HA ASP 59 -10.682 25.440 2.718 492 HB2 ASP 59 HB2 ASP 59 -12.209 25.861 5.311 493 HB3 ASP 59 HB1 ASP 59 -11.785 27.190 4.235 494 H SER 60 HN SER 60 -9.477 24.437 5.815 495 HA SER 60 HA SER 60 -7.633 26.575 6.281 496 HB2 SER 60 HB2 SER 60 -7.548 23.691 7.257 497 HB3 SER 60 HB1 SER 60 -6.632 25.040 7.940 498 HG SER 60 HG SER 60 -8.486 25.886 8.760 499 H LYS 61 HN LYS 61 -7.446 23.456 4.538 500 HA LYS 61 HA LYS 61 -4.674 24.033 3.667 501 HB2 LYS 61 HB2 LYS 61 -6.286 21.449 3.431 502 HB3 LYS 61 HB1 LYS 61 -4.609 21.662 2.928 503 HG2 LYS 61 HG2 LYS 61 -5.678 21.811 5.766 504 HG3 LYS 61 HG1 LYS 61 -4.718 20.500 5.074 505 HD2 LYS 61 HD2 LYS 61 -2.771 21.935 4.896 506 HD3 LYS 61 HD1 LYS 61 -3.712 23.362 5.336 507 HE2 LYS 61 HE2 LYS 61 -4.097 22.396 7.580 508 HE3 LYS 61 HE1 LYS 61 -3.102 21.003 7.143 509 HZ1 LYS 61 HZ1 LYS 61 -2.196 23.831 7.285 510 HZ2 LYS 61 HZ2 LYS 61 -1.231 22.521 6.822 511 HZ3 LYS 61 HZ3 LYS 61 -1.836 22.608 8.395 512 H LEU 62 HN LEU 62 -7.518 25.016 2.655 513 HA LEU 62 HA LEU 62 -7.175 24.481 -0.209 514 HB2 LEU 62 HB2 LEU 62 -9.452 24.995 1.268 515 HB3 LEU 62 HB1 LEU 62 -9.107 26.607 0.686 516 HG LEU 62 HG LEU 62 -10.732 25.482 -0.758 517 HD11 LEU 62 HD11 LEU 62 -9.250 27.086 -1.844 518 HD12 LEU 62 HD12 LEU 62 -9.709 25.791 -2.946 519 HD13 LEU 62 HD13 LEU 62 -8.099 25.799 -2.217 520 HD21 LEU 62 HD21 LEU 62 -8.603 23.380 -1.264 521 HD22 LEU 62 HD22 LEU 62 -10.179 23.484 -2.058 522 HD23 LEU 62 HD23 LEU 62 -10.088 23.164 -0.329 523 H ASP 63 HN ASP 63 -5.108 25.246 -0.326 524 HA ASP 63 HA ASP 63 -4.651 28.142 -0.416 525 HB2 ASP 63 HB2 ASP 63 -3.892 27.656 1.812 526 HB3 ASP 63 HB1 ASP 63 -3.149 26.144 1.323 527 H GLY 64 HN GLY 64 -2.892 28.700 -1.791 528 HA2 GLY 64 HA2 GLY 64 -2.837 27.419 -4.224 529 HA3 GLY 64 HA1 GLY 64 -1.616 28.557 -3.680 530 H ALA 65 HN ALA 65 -0.450 27.051 -1.592 531 HA ALA 65 HA ALA 65 1.420 25.439 -3.004 532 HB1 ALA 65 HB1 ALA 65 2.344 24.915 -0.779 533 HB2 ALA 65 HB2 ALA 65 0.898 25.584 -0.014 534 HB3 ALA 65 HB3 ALA 65 1.978 26.635 -0.929 535 H ASN 66 HN ASN 66 -1.259 24.612 -0.808 536 HA ASN 66 HA ASN 66 -0.865 21.798 -0.768 537 HB2 ASN 66 HB2 ASN 66 -3.344 23.458 -0.140 538 HB3 ASN 66 HB1 ASN 66 -3.196 21.737 0.188 539 HD21 ASN 66 HD21 ASN 66 -1.933 24.914 1.042 540 HD22 ASN 66 HD22 ASN 66 -1.343 24.459 2.594 541 H ILE 67 HN ILE 67 -2.835 23.912 -2.809 542 HA ILE 67 HA ILE 67 -4.341 21.967 -4.202 543 HB ILE 67 HB ILE 67 -3.405 24.718 -5.174 544 HG12 ILE 67 HG12 ILE 67 -4.796 24.851 -3.103 545 HG13 ILE 67 HG11 ILE 67 -5.610 25.577 -4.475 546 HG21 ILE 67 HG21 ILE 67 -5.260 24.599 -6.805 547 HG22 ILE 67 HG22 ILE 67 -5.625 22.957 -6.272 548 HG23 ILE 67 HG23 ILE 67 -4.088 23.307 -7.060 549 HD11 ILE 67 HD11 ILE 67 -6.172 22.864 -3.293 550 HD12 ILE 67 HD12 ILE 67 -6.977 23.557 -4.708 551 HD13 ILE 67 HD13 ILE 67 -7.149 24.322 -3.124 552 H LYS 68 HN LYS 68 -1.299 23.632 -5.007 553 HA LYS 68 HA LYS 68 -0.708 22.360 -7.447 554 HB2 LYS 68 HB2 LYS 68 1.062 23.722 -5.376 555 HB3 LYS 68 HB1 LYS 68 1.681 23.150 -6.924 556 HG2 LYS 68 HG2 LYS 68 0.166 24.654 -8.121 557 HG3 LYS 68 HG1 LYS 68 -0.536 25.191 -6.593 558 HD2 LYS 68 HD2 LYS 68 1.649 26.145 -5.928 559 HD3 LYS 68 HD1 LYS 68 2.352 25.605 -7.459 560 HE2 LYS 68 HE2 LYS 68 0.748 27.065 -8.683 561 HE3 LYS 68 HE1 LYS 68 0.094 27.619 -7.138 562 HZ1 LYS 68 HZ1 LYS 68 1.729 29.147 -8.122 563 HZ2 LYS 68 HZ2 LYS 68 2.920 27.956 -7.984 564 HZ3 LYS 68 HZ3 LYS 68 2.196 28.591 -6.595 565 H HIS 69 HN HIS 69 -0.070 21.482 -4.123 566 HA HIS 69 HA HIS 69 1.794 19.377 -4.607 567 HB2 HIS 69 HB2 HIS 69 1.483 20.670 -2.426 568 HB3 HIS 69 HB1 HIS 69 0.010 19.743 -2.159 569 HD1 HIS 69 HD1 HIS 69 3.752 19.275 -2.499 570 HD2 HIS 69 HD2 HIS 69 0.438 17.252 -1.008 571 HE1 HIS 69 HE1 HIS 69 4.681 17.305 -1.244 572 HE2 HIS 69 HE2 HIS 69 2.652 16.058 -0.416 573 H ARG 70 HN ARG 70 -1.727 19.521 -4.143 574 HA ARG 70 HA ARG 70 -2.346 16.773 -4.239 575 HB2 ARG 70 HB2 ARG 70 -3.882 19.312 -4.698 576 HB3 ARG 70 HB1 ARG 70 -4.576 17.869 -5.417 577 HG2 ARG 70 HG2 ARG 70 -3.966 18.284 -2.477 578 HG3 ARG 70 HG1 ARG 70 -5.564 18.266 -3.235 579 HD2 ARG 70 HD2 ARG 70 -5.072 15.890 -3.973 580 HD3 ARG 70 HD1 ARG 70 -3.619 15.951 -2.971 581 HE ARG 70 HE ARG 70 -6.260 16.467 -1.758 582 HH11 ARG 70 HH11 ARG 70 -3.372 14.468 -1.954 583 HH12 ARG 70 HH12 ARG 70 -3.842 13.451 -0.633 584 HH21 ARG 70 HH21 ARG 70 -6.852 15.137 -0.015 585 HH22 ARG 70 HH22 ARG 70 -5.815 13.835 0.470 586 H LEU 71 HN LEU 71 -2.176 19.179 -6.827 587 HA LEU 71 HA LEU 71 -2.796 17.497 -9.000 588 HB2 LEU 71 HB2 LEU 71 -1.076 20.008 -9.011 589 HB3 LEU 71 HB1 LEU 71 -1.857 19.286 -10.402 590 HG LEU 71 HG LEU 71 -3.117 20.850 -8.140 591 HD11 LEU 71 HD11 LEU 71 -4.071 22.197 -9.920 592 HD12 LEU 71 HD12 LEU 71 -3.351 21.146 -11.145 593 HD13 LEU 71 HD13 LEU 71 -2.318 22.107 -10.082 594 HD21 LEU 71 HD21 LEU 71 -4.650 19.089 -10.073 595 HD22 LEU 71 HD22 LEU 71 -5.358 20.279 -8.977 596 HD23 LEU 71 HD23 LEU 71 -4.522 18.875 -8.324 597 H ALA 72 HN ALA 72 0.222 18.278 -7.394 598 HA ALA 72 HA ALA 72 2.082 17.260 -9.241 599 HB1 ALA 72 HB1 ALA 72 2.351 17.509 -6.236 600 HB2 ALA 72 HB2 ALA 72 2.683 18.779 -7.415 601 HB3 ALA 72 HB3 ALA 72 3.681 17.323 -7.384 602 H LEU 73 HN LEU 73 0.910 15.729 -6.197 603 HA LEU 73 HA LEU 73 2.215 13.235 -6.738 604 HB2 LEU 73 HB2 LEU 73 0.138 13.994 -4.670 605 HB3 LEU 73 HB1 LEU 73 0.719 12.345 -4.846 606 HG LEU 73 HG LEU 73 3.096 13.329 -4.525 607 HD11 LEU 73 HD11 LEU 73 1.507 15.663 -3.439 608 HD12 LEU 73 HD12 LEU 73 2.595 15.676 -4.831 609 HD13 LEU 73 HD13 LEU 73 3.244 15.399 -3.216 610 HD21 LEU 73 HD21 LEU 73 1.176 13.315 -2.185 611 HD22 LEU 73 HD22 LEU 73 2.936 13.198 -2.090 612 HD23 LEU 73 HD23 LEU 73 2.012 11.916 -2.870 613 H TRP 74 HN TRP 74 -0.944 14.527 -7.505 614 HA TRP 74 HA TRP 74 -2.308 12.191 -8.217 615 HB2 TRP 74 HB2 TRP 74 -3.523 14.295 -8.188 616 HB3 TRP 74 HB1 TRP 74 -2.478 14.989 -9.426 617 HD1 TRP 74 HD1 TRP 74 -4.930 11.986 -9.118 618 HE1 TRP 74 HE1 TRP 74 -6.099 11.672 -11.379 619 HE3 TRP 74 HE3 TRP 74 -2.619 15.695 -11.762 620 HZ2 TRP 74 HZ2 TRP 74 -6.086 12.839 -13.925 621 HZ3 TRP 74 HZ3 TRP 74 -3.265 16.041 -14.114 622 HH2 TRP 74 HH2 TRP 74 -4.967 14.640 -15.167 623 H ILE 75 HN ILE 75 -0.425 14.380 -10.356 624 HA ILE 75 HA ILE 75 -0.633 12.630 -12.612 625 HB ILE 75 HB ILE 75 -0.464 15.117 -12.823 626 HG12 ILE 75 HG12 ILE 75 1.020 15.137 -14.823 627 HG13 ILE 75 HG11 ILE 75 1.716 13.597 -14.333 628 HG21 ILE 75 HG21 ILE 75 1.229 15.563 -11.116 629 HG22 ILE 75 HG22 ILE 75 1.725 16.234 -12.670 630 HG23 ILE 75 HG23 ILE 75 2.454 14.738 -12.085 631 HD11 ILE 75 HD11 ILE 75 -0.410 12.492 -14.702 632 HD12 ILE 75 HD12 ILE 75 0.084 13.385 -16.141 633 HD13 ILE 75 HD13 ILE 75 -1.172 14.039 -15.090 634 H HIS 76 HN HIS 76 1.687 13.017 -10.035 635 HA HIS 76 HA HIS 76 3.894 11.616 -11.155 636 HB2 HIS 76 HB2 HIS 76 3.893 13.055 -9.031 637 HB3 HIS 76 HB1 HIS 76 3.136 11.705 -8.200 638 HD1 HIS 76 HD1 HIS 76 4.889 10.682 -6.772 639 HD2 HIS 76 HD2 HIS 76 6.390 11.760 -10.498 640 HE1 HIS 76 HE1 HIS 76 7.305 10.015 -6.746 641 HE2 HIS 76 HE2 HIS 76 8.180 10.620 -9.028 642 H ALA 77 HN ALA 77 1.005 10.590 -9.371 643 HA ALA 77 HA ALA 77 1.601 7.755 -9.508 644 HB1 ALA 77 HB1 ALA 77 -0.986 9.201 -8.842 645 HB2 ALA 77 HB2 ALA 77 0.246 8.704 -7.683 646 HB3 ALA 77 HB3 ALA 77 -0.663 7.484 -8.575 647 H ALA 78 HN ALA 78 -0.174 10.086 -11.466 648 HA ALA 78 HA ALA 78 -1.893 8.285 -12.844 649 HB1 ALA 78 HB1 ALA 78 -1.063 11.087 -13.674 650 HB2 ALA 78 HB2 ALA 78 -2.408 10.689 -12.604 651 HB3 ALA 78 HB3 ALA 78 -2.449 10.181 -14.293 652 H LEU 79 HN LEU 79 1.252 9.719 -13.679 653 HA LEU 79 HA LEU 79 1.560 8.483 -16.214 654 HB2 LEU 79 HB2 LEU 79 3.707 9.312 -14.213 655 HB3 LEU 79 HB1 LEU 79 3.998 8.900 -15.895 656 HG LEU 79 HG LEU 79 2.493 11.339 -14.857 657 HD11 LEU 79 HD11 LEU 79 4.300 12.624 -15.917 658 HD12 LEU 79 HD12 LEU 79 5.112 11.123 -16.372 659 HD13 LEU 79 HD13 LEU 79 4.915 11.543 -14.668 660 HD21 LEU 79 HD21 LEU 79 1.360 10.571 -16.880 661 HD22 LEU 79 HD22 LEU 79 2.894 10.495 -17.749 662 HD23 LEU 79 HD23 LEU 79 2.255 12.054 -17.214 663 HA PRO 80 HA PRO 80 1.705 4.271 -14.667 664 HB2 PRO 80 HB2 PRO 80 2.593 2.954 -16.910 665 HB3 PRO 80 HB1 PRO 80 0.960 3.618 -16.768 666 HG2 PRO 80 HG2 PRO 80 3.382 4.822 -18.112 667 HG3 PRO 80 HG1 PRO 80 1.717 4.695 -18.724 668 HD2 PRO 80 HD2 PRO 80 2.655 6.987 -17.636 669 HD3 PRO 80 HD1 PRO 80 0.963 6.489 -17.419 670 H ASP 81 HN ASP 81 4.556 5.699 -16.133 671 HA ASP 81 HA ASP 81 6.440 3.821 -14.932 672 HB2 ASP 81 HB2 ASP 81 6.944 6.391 -16.502 673 HB3 ASP 81 HB1 ASP 81 8.169 5.205 -16.045 674 H ASN 82 HN ASN 82 4.730 6.510 -13.921 675 HA ASN 82 HA ASN 82 4.739 7.928 -12.176 676 HB2 ASN 82 HB2 ASN 82 6.577 5.816 -10.967 677 HB3 ASN 82 HB1 ASN 82 5.794 7.093 -10.043 678 HD21 ASN 82 HD21 ASN 82 3.238 7.038 -11.276 679 HD22 ASN 82 HD22 ASN 82 2.484 5.538 -10.884 680 H ASP 83 HN ASP 83 6.347 8.641 -14.205 681 HA ASP 83 HA ASP 83 9.060 9.153 -13.790 682 HB2 ASP 83 HB2 ASP 83 7.799 9.121 -15.984 683 HB3 ASP 83 HB1 ASP 83 7.098 10.675 -15.568 684 HA PRO 84 HA PRO 84 8.846 12.781 -11.036 685 HB2 PRO 84 HB2 PRO 84 11.424 13.573 -11.025 686 HB3 PRO 84 HB1 PRO 84 10.952 12.006 -10.346 687 HG2 PRO 84 HG2 PRO 84 12.117 12.612 -13.073 688 HG3 PRO 84 HG1 PRO 84 12.599 11.355 -11.911 689 HD2 PRO 84 HD2 PRO 84 10.932 10.871 -14.040 690 HD3 PRO 84 HD1 PRO 84 10.862 9.944 -12.528 691 H LEU 85 HN LEU 85 9.264 12.988 -14.353 692 HA LEU 85 HA LEU 85 8.997 14.521 -15.947 693 HB2 LEU 85 HB2 LEU 85 7.951 16.246 -13.690 694 HB3 LEU 85 HB1 LEU 85 8.009 16.799 -15.357 695 HG LEU 85 HG LEU 85 6.620 14.690 -15.916 696 HD11 LEU 85 HD11 LEU 85 5.128 13.899 -14.092 697 HD12 LEU 85 HD12 LEU 85 6.147 14.770 -12.945 698 HD13 LEU 85 HD13 LEU 85 6.818 13.444 -13.888 699 HD21 LEU 85 HD21 LEU 85 5.360 16.939 -14.337 700 HD22 LEU 85 HD22 LEU 85 4.523 15.853 -15.449 701 HD23 LEU 85 HD23 LEU 85 5.752 16.956 -16.058 702 H LYS 86 HN LYS 86 11.468 14.497 -14.118 703 HA LYS 86 HA LYS 86 12.674 17.036 -14.085 704 HB2 LYS 86 HB2 LYS 86 13.439 15.231 -12.654 705 HB3 LYS 86 HB1 LYS 86 13.855 14.233 -14.043 706 HG2 LYS 86 HG2 LYS 86 15.631 15.902 -14.649 707 HG3 LYS 86 HG1 LYS 86 15.248 16.790 -13.171 708 HD2 LYS 86 HD2 LYS 86 17.220 15.321 -12.871 709 HD3 LYS 86 HD1 LYS 86 15.894 14.853 -11.804 710 HE2 LYS 86 HE2 LYS 86 15.286 13.030 -13.397 711 HE3 LYS 86 HE1 LYS 86 16.653 13.483 -14.420 712 HZ1 LYS 86 HZ1 LYS 86 16.828 12.542 -11.611 713 HZ2 LYS 86 HZ2 LYS 86 18.133 12.948 -12.607 714 HZ3 LYS 86 HZ3 LYS 86 17.166 11.624 -12.989 Start of MODEL 2 1 H MET 1 HT1 MET 1 -1.937 4.517 -8.917 2 HA MET 1 HA MET 1 -1.663 1.886 -7.602 3 HB2 MET 1 HB2 MET 1 -0.772 2.718 -10.398 4 HB3 MET 1 HB1 MET 1 -0.517 1.134 -9.667 5 HG2 MET 1 HG2 MET 1 -3.175 2.364 -10.443 6 HG3 MET 1 HG1 MET 1 -2.352 1.023 -11.243 7 HE1 MET 1 HE1 MET 1 -4.628 -0.447 -11.087 8 HE2 MET 1 HE2 MET 1 -5.417 0.927 -10.311 9 HE3 MET 1 HE3 MET 1 -5.516 -0.673 -9.579 10 H SER 2 HN SER 2 -0.320 5.014 -8.128 11 HA SER 2 HA SER 2 2.237 4.213 -6.906 12 HB2 SER 2 HB2 SER 2 2.678 4.328 -9.331 13 HB3 SER 2 HB1 SER 2 2.003 5.958 -9.396 14 HG SER 2 HG SER 2 4.490 5.150 -8.701 15 H LYS 3 HN LYS 3 2.764 5.474 -5.275 16 HA LYS 3 HA LYS 3 2.153 8.370 -5.305 17 HB2 LYS 3 HB2 LYS 3 1.962 6.470 -2.921 18 HB3 LYS 3 HB1 LYS 3 1.978 8.218 -2.763 19 HG2 LYS 3 HG2 LYS 3 -0.171 6.853 -4.411 20 HG3 LYS 3 HG1 LYS 3 -0.300 6.927 -2.657 21 HD2 LYS 3 HD2 LYS 3 -1.548 8.798 -3.351 22 HD3 LYS 3 HD1 LYS 3 0.007 9.502 -2.927 23 HE2 LYS 3 HE2 LYS 3 -0.721 10.539 -4.967 24 HE3 LYS 3 HE1 LYS 3 0.596 9.450 -5.393 25 HZ1 LYS 3 HZ1 LYS 3 -0.942 7.879 -6.240 26 HZ2 LYS 3 HZ2 LYS 3 -1.351 9.385 -6.899 27 HZ3 LYS 3 HZ3 LYS 3 -2.268 8.739 -5.634 28 H THR 4 HN THR 4 4.360 7.366 -6.443 29 HA THR 4 HA THR 4 6.635 6.854 -4.899 30 HB THR 4 HB THR 4 7.887 7.818 -7.011 31 HG1 THR 4 HG1 THR 4 5.529 7.467 -8.446 32 HG21 THR 4 HG21 THR 4 7.568 5.398 -6.619 33 HG22 THR 4 HG22 THR 4 7.388 5.798 -8.327 34 HG23 THR 4 HG23 THR 4 5.958 5.488 -7.340 35 H ALA 5 HN ALA 5 8.450 8.167 -4.331 36 HA ALA 5 HA ALA 5 7.558 10.705 -3.181 37 HB1 ALA 5 HB1 ALA 5 10.001 9.032 -2.528 38 HB2 ALA 5 HB2 ALA 5 8.452 8.979 -1.686 39 HB3 ALA 5 HB3 ALA 5 9.429 10.446 -1.635 40 H LYS 6 HN LYS 6 9.299 9.858 -5.939 41 HA LYS 6 HA LYS 6 11.328 11.935 -5.840 42 HB2 LYS 6 HB2 LYS 6 11.556 9.729 -7.095 43 HB3 LYS 6 HB1 LYS 6 10.382 10.330 -8.260 44 HG2 LYS 6 HG2 LYS 6 11.932 12.185 -8.844 45 HG3 LYS 6 HG1 LYS 6 13.117 11.551 -7.698 46 HD2 LYS 6 HD2 LYS 6 12.075 10.116 -10.181 47 HD3 LYS 6 HD1 LYS 6 13.651 10.895 -10.031 48 HE2 LYS 6 HE2 LYS 6 14.266 9.277 -8.253 49 HE3 LYS 6 HE1 LYS 6 12.699 8.485 -8.431 50 HZ1 LYS 6 HZ1 LYS 6 14.514 7.363 -9.620 51 HZ2 LYS 6 HZ2 LYS 6 14.712 8.730 -10.598 52 HZ3 LYS 6 HZ3 LYS 6 13.270 7.854 -10.656 53 H LEU 7 HN LEU 7 9.577 13.542 -5.249 54 HA LEU 7 HA LEU 7 7.838 14.488 -7.449 55 HB2 LEU 7 HB2 LEU 7 6.983 13.818 -5.071 56 HB3 LEU 7 HB1 LEU 7 7.745 15.291 -4.517 57 HG LEU 7 HG LEU 7 6.243 16.512 -6.259 58 HD11 LEU 7 HD11 LEU 7 4.728 13.890 -6.135 59 HD12 LEU 7 HD12 LEU 7 5.571 14.539 -7.544 60 HD13 LEU 7 HD13 LEU 7 4.174 15.386 -6.891 61 HD21 LEU 7 HD21 LEU 7 5.872 16.697 -3.831 62 HD22 LEU 7 HD22 LEU 7 4.906 15.219 -3.854 63 HD23 LEU 7 HD23 LEU 7 4.347 16.657 -4.713 64 H ASN 8 HN ASN 8 10.688 14.983 -7.400 65 HA ASN 8 HA ASN 8 11.490 17.409 -6.241 66 HB2 ASN 8 HB2 ASN 8 12.647 15.926 -8.640 67 HB3 ASN 8 HB1 ASN 8 13.446 17.262 -7.821 68 HD21 ASN 8 HD21 ASN 8 15.239 16.074 -7.209 69 HD22 ASN 8 HD22 ASN 8 15.189 14.821 -6.023 70 H ASN 9 HN ASN 9 11.111 19.437 -6.787 71 HA ASN 9 HA ASN 9 10.360 21.321 -7.725 72 HB2 ASN 9 HB2 ASN 9 12.179 20.678 -9.439 73 HB3 ASN 9 HB1 ASN 9 10.880 20.112 -10.469 74 HD21 ASN 9 HD21 ASN 9 9.063 22.394 -9.733 75 HD22 ASN 9 HD22 ASN 9 9.733 23.768 -10.518 76 H GLU 10 HN GLU 10 8.360 20.667 -6.829 77 HA GLU 10 HA GLU 10 6.321 19.173 -7.891 78 HB2 GLU 10 HB2 GLU 10 6.397 20.053 -5.575 79 HB3 GLU 10 HB1 GLU 10 6.092 21.678 -6.172 80 HG2 GLU 10 HG2 GLU 10 3.849 21.105 -6.831 81 HG3 GLU 10 HG1 GLU 10 4.141 19.392 -6.550 82 H GLU 11 HN GLU 11 7.028 22.575 -8.492 83 HA GLU 11 HA GLU 11 4.837 23.572 -9.767 84 HB2 GLU 11 HB2 GLU 11 7.798 24.071 -10.135 85 HB3 GLU 11 HB1 GLU 11 6.661 24.902 -11.183 86 HG2 GLU 11 HG2 GLU 11 7.374 26.244 -9.221 87 HG3 GLU 11 HG1 GLU 11 5.634 26.027 -9.344 88 H LYS 12 HN LYS 12 7.400 21.676 -11.369 89 HA LYS 12 HA LYS 12 6.467 21.858 -14.019 90 HB2 LYS 12 HB2 LYS 12 7.969 19.523 -12.766 91 HB3 LYS 12 HB1 LYS 12 7.835 19.860 -14.490 92 HG2 LYS 12 HG2 LYS 12 9.076 21.998 -14.130 93 HG3 LYS 12 HG1 LYS 12 9.278 21.562 -12.431 94 HD2 LYS 12 HD2 LYS 12 10.406 20.100 -14.854 95 HD3 LYS 12 HD1 LYS 12 11.312 21.010 -13.642 96 HE2 LYS 12 HE2 LYS 12 10.675 19.352 -11.923 97 HE3 LYS 12 HE1 LYS 12 9.762 18.442 -13.128 98 HZ1 LYS 12 HZ1 LYS 12 11.887 18.231 -14.374 99 HZ2 LYS 12 HZ2 LYS 12 11.841 17.411 -12.897 100 HZ3 LYS 12 HZ3 LYS 12 12.682 18.869 -13.024 101 H LEU 13 HN LEU 13 5.814 19.433 -11.502 102 HA LEU 13 HA LEU 13 4.204 17.702 -13.072 103 HB2 LEU 13 HB2 LEU 13 4.307 18.062 -10.054 104 HB3 LEU 13 HB1 LEU 13 3.438 16.774 -10.869 105 HG LEU 13 HG LEU 13 5.899 16.353 -11.941 106 HD11 LEU 13 HD11 LEU 13 7.678 16.589 -10.301 107 HD12 LEU 13 HD12 LEU 13 6.577 17.432 -9.209 108 HD13 LEU 13 HD13 LEU 13 7.015 18.157 -10.757 109 HD21 LEU 13 HD21 LEU 13 5.018 15.258 -9.268 110 HD22 LEU 13 HD22 LEU 13 6.247 14.552 -10.322 111 HD23 LEU 13 HD23 LEU 13 4.572 14.635 -10.857 112 H VAL 14 HN VAL 14 3.465 20.443 -11.005 113 HA VAL 14 HA VAL 14 0.657 20.411 -11.034 114 HB VAL 14 HB VAL 14 2.556 22.795 -10.916 115 HG11 VAL 14 HG11 VAL 14 -0.385 22.694 -10.120 116 HG12 VAL 14 HG12 VAL 14 0.288 23.583 -11.487 117 HG13 VAL 14 HG13 VAL 14 0.705 24.056 -9.838 118 HG21 VAL 14 HG21 VAL 14 2.951 21.126 -9.154 119 HG22 VAL 14 HG22 VAL 14 1.260 21.222 -8.664 120 HG23 VAL 14 HG23 VAL 14 2.314 22.626 -8.483 121 H LYS 15 HN LYS 15 2.986 21.979 -13.238 122 HA LYS 15 HA LYS 15 1.119 23.208 -14.958 123 HB2 LYS 15 HB2 LYS 15 3.993 22.351 -15.471 124 HB3 LYS 15 HB1 LYS 15 3.057 23.374 -16.562 125 HG2 LYS 15 HG2 LYS 15 2.882 25.111 -14.845 126 HG3 LYS 15 HG1 LYS 15 3.707 24.077 -13.677 127 HD2 LYS 15 HD2 LYS 15 5.739 24.113 -15.139 128 HD3 LYS 15 HD1 LYS 15 4.906 25.227 -16.227 129 HE2 LYS 15 HE2 LYS 15 4.753 26.892 -14.413 130 HE3 LYS 15 HE1 LYS 15 5.553 25.772 -13.306 131 HZ1 LYS 15 HZ1 LYS 15 7.514 25.856 -14.680 132 HZ2 LYS 15 HZ2 LYS 15 7.074 27.421 -14.210 133 HZ3 LYS 15 HZ3 LYS 15 6.749 26.884 -15.782 134 H LYS 16 HN LYS 16 2.610 19.989 -14.998 135 HA LYS 16 HA LYS 16 1.504 19.166 -17.514 136 HB2 LYS 16 HB2 LYS 16 3.502 18.106 -16.383 137 HB3 LYS 16 HB1 LYS 16 2.403 17.367 -15.231 138 HG2 LYS 16 HG2 LYS 16 3.014 15.739 -16.939 139 HG3 LYS 16 HG1 LYS 16 1.299 16.126 -17.087 140 HD2 LYS 16 HD2 LYS 16 2.259 16.033 -19.314 141 HD3 LYS 16 HD1 LYS 16 1.852 17.709 -18.954 142 HE2 LYS 16 HE2 LYS 16 4.287 18.058 -18.305 143 HE3 LYS 16 HE1 LYS 16 4.619 16.446 -18.942 144 HZ1 LYS 16 HZ1 LYS 16 3.534 18.764 -20.453 145 HZ2 LYS 16 HZ2 LYS 16 3.757 17.216 -21.099 146 HZ3 LYS 16 HZ3 LYS 16 5.090 18.117 -20.587 147 H ALA 17 HN ALA 17 0.356 19.180 -14.215 148 HA ALA 17 HA ALA 17 -1.966 17.532 -14.669 149 HB1 ALA 17 HB1 ALA 17 -2.685 18.287 -12.437 150 HB2 ALA 17 HB2 ALA 17 -1.374 19.469 -12.408 151 HB3 ALA 17 HB3 ALA 17 -1.004 17.744 -12.418 152 H LEU 18 HN LEU 18 -1.151 20.942 -15.025 153 HA LEU 18 HA LEU 18 -3.827 21.890 -15.448 154 HB2 LEU 18 HB2 LEU 18 -1.289 23.149 -16.562 155 HB3 LEU 18 HB1 LEU 18 -2.847 23.931 -16.332 156 HG LEU 18 HG LEU 18 -0.900 23.061 -14.176 157 HD11 LEU 18 HD11 LEU 18 -0.266 25.134 -15.284 158 HD12 LEU 18 HD12 LEU 18 -0.728 25.416 -13.608 159 HD13 LEU 18 HD13 LEU 18 -1.844 25.837 -14.914 160 HD21 LEU 18 HD21 LEU 18 -2.442 23.992 -12.510 161 HD22 LEU 18 HD22 LEU 18 -3.137 22.607 -13.343 162 HD23 LEU 18 HD23 LEU 18 -3.661 24.240 -13.765 163 H GLU 19 HN GLU 19 -1.240 20.622 -17.504 164 HA GLU 19 HA GLU 19 -2.483 21.011 -20.025 165 HB2 GLU 19 HB2 GLU 19 -0.379 18.992 -19.148 166 HB3 GLU 19 HB1 GLU 19 -0.830 19.280 -20.827 167 HG2 GLU 19 HG2 GLU 19 0.014 21.570 -20.706 168 HG3 GLU 19 HG1 GLU 19 0.346 21.382 -18.980 169 H ILE 20 HN ILE 20 -2.107 18.016 -18.138 170 HA ILE 20 HA ILE 20 -3.801 16.433 -19.770 171 HB ILE 20 HB ILE 20 -2.885 15.844 -16.919 172 HG12 ILE 20 HG12 ILE 20 -0.924 16.247 -18.373 173 HG13 ILE 20 HG11 ILE 20 -1.018 14.547 -17.937 174 HG21 ILE 20 HG21 ILE 20 -3.911 13.956 -19.072 175 HG22 ILE 20 HG22 ILE 20 -4.741 14.391 -17.578 176 HG23 ILE 20 HG23 ILE 20 -3.250 13.452 -17.510 177 HD11 ILE 20 HD11 ILE 20 -1.918 14.033 -20.155 178 HD12 ILE 20 HD12 ILE 20 -0.360 14.849 -20.252 179 HD13 ILE 20 HD13 ILE 20 -1.841 15.743 -20.587 180 H GLY 21 HN GLY 21 -4.252 17.806 -16.477 181 HA2 GLY 21 HA2 GLY 21 -6.919 16.956 -16.097 182 HA3 GLY 21 HA1 GLY 21 -6.125 18.259 -15.227 183 H GLY 22 HN GLY 22 -5.564 19.893 -17.563 184 HA2 GLY 22 HA2 GLY 22 -7.942 21.383 -17.863 185 HA3 GLY 22 HA1 GLY 22 -6.501 21.542 -18.847 186 H LYS 23 HN LYS 23 -6.284 19.266 -20.254 187 HA LYS 23 HA LYS 23 -8.317 19.512 -22.247 188 HB2 LYS 23 HB2 LYS 23 -7.173 17.747 -23.473 189 HB3 LYS 23 HB1 LYS 23 -5.985 18.874 -22.831 190 HG2 LYS 23 HG2 LYS 23 -5.214 17.331 -21.212 191 HG3 LYS 23 HG1 LYS 23 -6.644 16.316 -21.364 192 HD2 LYS 23 HD2 LYS 23 -5.918 15.693 -23.664 193 HD3 LYS 23 HD1 LYS 23 -4.435 16.627 -23.427 194 HE2 LYS 23 HE2 LYS 23 -3.862 15.150 -21.498 195 HE3 LYS 23 HE1 LYS 23 -5.320 14.206 -21.813 196 HZ1 LYS 23 HZ1 LYS 23 -4.426 13.625 -23.976 197 HZ2 LYS 23 HZ2 LYS 23 -3.365 13.162 -22.751 198 HZ3 LYS 23 HZ3 LYS 23 -3.037 14.538 -23.678 199 H MET 24 HN MET 24 -7.768 17.218 -19.626 200 HA MET 24 HA MET 24 -9.582 15.188 -20.344 201 HB2 MET 24 HB2 MET 24 -8.411 16.056 -17.690 202 HB3 MET 24 HB1 MET 24 -9.647 14.806 -17.735 203 HG2 MET 24 HG2 MET 24 -8.213 13.406 -19.123 204 HG3 MET 24 HG1 MET 24 -6.993 14.675 -19.172 205 HE1 MET 24 HE1 MET 24 -8.958 12.214 -16.743 206 HE2 MET 24 HE2 MET 24 -9.124 13.779 -15.943 207 HE3 MET 24 HE3 MET 24 -8.116 12.523 -15.225 208 H ALA 25 HN ALA 25 -9.965 17.987 -18.170 209 HA ALA 25 HA ALA 25 -12.657 17.785 -17.531 210 HB1 ALA 25 HB1 ALA 25 -12.574 20.189 -17.042 211 HB2 ALA 25 HB2 ALA 25 -11.065 20.337 -17.949 212 HB3 ALA 25 HB3 ALA 25 -11.113 19.384 -16.466 213 H LYS 26 HN LYS 26 -11.111 19.490 -20.190 214 HA LYS 26 HA LYS 26 -13.281 20.684 -21.391 215 HB2 LYS 26 HB2 LYS 26 -10.891 21.111 -21.897 216 HB3 LYS 26 HB1 LYS 26 -10.785 19.564 -22.728 217 HG2 LYS 26 HG2 LYS 26 -12.310 20.345 -24.462 218 HG3 LYS 26 HG1 LYS 26 -12.593 21.855 -23.589 219 HD2 LYS 26 HD2 LYS 26 -10.986 22.153 -25.473 220 HD3 LYS 26 HD1 LYS 26 -10.260 22.531 -23.910 221 HE2 LYS 26 HE2 LYS 26 -9.166 20.303 -23.886 222 HE3 LYS 26 HE1 LYS 26 -9.893 19.936 -25.452 223 HZ1 LYS 26 HZ1 LYS 26 -8.648 21.748 -26.421 224 HZ2 LYS 26 HZ2 LYS 26 -7.597 20.675 -25.646 225 HZ3 LYS 26 HZ3 LYS 26 -7.989 22.146 -24.916 226 H MET 27 HN MET 27 -11.865 17.506 -22.145 227 HA MET 27 HA MET 27 -13.767 16.632 -24.049 228 HB2 MET 27 HB2 MET 27 -11.881 15.046 -22.268 229 HB3 MET 27 HB1 MET 27 -12.789 14.342 -23.604 230 HG2 MET 27 HG2 MET 27 -11.619 15.875 -25.175 231 HG3 MET 27 HG1 MET 27 -10.666 16.496 -23.828 232 HE1 MET 27 HE1 MET 27 -8.532 13.302 -22.859 233 HE2 MET 27 HE2 MET 27 -10.079 13.762 -22.151 234 HE3 MET 27 HE3 MET 27 -8.857 14.992 -22.482 235 H GLN 28 HN GLN 28 -13.711 16.345 -20.508 236 HA GLN 28 HA GLN 28 -15.868 14.493 -20.232 237 HB2 GLN 28 HB2 GLN 28 -14.700 16.516 -18.287 238 HB3 GLN 28 HB1 GLN 28 -15.987 15.404 -17.834 239 HG2 GLN 28 HG2 GLN 28 -13.190 14.638 -18.718 240 HG3 GLN 28 HG1 GLN 28 -13.784 14.644 -17.062 241 HE21 GLN 28 HE21 GLN 28 -15.244 13.009 -16.409 242 HE22 GLN 28 HE22 GLN 28 -15.440 11.550 -17.314 243 H GLY 29 HN GLY 29 -15.700 17.929 -20.767 244 HA2 GLY 29 HA2 GLY 29 -17.756 18.748 -21.984 245 HA3 GLY 29 HA1 GLY 29 -18.673 18.177 -20.595 246 H PHE 30 HN PHE 30 -15.541 19.830 -20.621 247 HA PHE 30 HA PHE 30 -16.720 22.185 -19.225 248 HB2 PHE 30 HB2 PHE 30 -14.232 20.656 -18.303 249 HB3 PHE 30 HB1 PHE 30 -14.808 22.160 -17.610 250 HD1 PHE 30 HD2 PHE 30 -16.760 22.183 -16.094 251 HD2 PHE 30 HD1 PHE 30 -15.345 18.514 -17.779 252 HE1 PHE 30 HE2 PHE 30 -18.074 20.909 -14.449 253 HE2 PHE 30 HE1 PHE 30 -16.661 17.253 -16.130 254 HZ PHE 30 HZ PHE 30 -18.025 18.451 -14.461 255 H ASP 31 HN ASP 31 -14.508 23.698 -18.849 256 HA ASP 31 HA ASP 31 -12.495 23.449 -20.880 257 HB2 ASP 31 HB2 ASP 31 -12.844 25.656 -21.982 258 HB3 ASP 31 HB1 ASP 31 -14.168 24.549 -22.291 259 H LEU 32 HN LEU 32 -10.980 23.448 -19.298 260 HA LEU 32 HA LEU 32 -10.825 25.552 -17.303 261 HB2 LEU 32 HB2 LEU 32 -8.882 23.300 -17.927 262 HB3 LEU 32 HB1 LEU 32 -8.751 24.406 -16.564 263 HG LEU 32 HG LEU 32 -10.939 22.331 -16.998 264 HD11 LEU 32 HD11 LEU 32 -8.750 22.457 -14.906 265 HD12 LEU 32 HD12 LEU 32 -8.836 21.335 -16.266 266 HD13 LEU 32 HD13 LEU 32 -10.038 21.249 -14.982 267 HD21 LEU 32 HD21 LEU 32 -11.822 22.964 -14.784 268 HD22 LEU 32 HD22 LEU 32 -11.929 24.304 -15.921 269 HD23 LEU 32 HD23 LEU 32 -10.664 24.293 -14.690 270 HA PRO 33 HA PRO 33 -8.759 28.039 -20.433 271 HB2 PRO 33 HB2 PRO 33 -8.717 30.412 -19.140 272 HB3 PRO 33 HB1 PRO 33 -10.241 29.673 -19.648 273 HG2 PRO 33 HG2 PRO 33 -8.953 29.673 -16.921 274 HG3 PRO 33 HG1 PRO 33 -10.650 29.977 -17.360 275 HD2 PRO 33 HD2 PRO 33 -9.709 27.533 -16.453 276 HD3 PRO 33 HD1 PRO 33 -11.145 27.710 -17.488 277 H GLN 34 HN GLN 34 -6.898 29.662 -20.543 278 HA GLN 34 HA GLN 34 -4.583 28.768 -18.933 279 HB2 GLN 34 HB2 GLN 34 -4.655 30.172 -21.641 280 HB3 GLN 34 HB1 GLN 34 -3.193 29.681 -20.785 281 HG2 GLN 34 HG2 GLN 34 -3.987 27.311 -20.909 282 HG3 GLN 34 HG1 GLN 34 -5.342 27.852 -21.898 283 HE21 GLN 34 HE21 GLN 34 -2.003 29.049 -22.109 284 HE22 GLN 34 HE22 GLN 34 -1.710 28.445 -23.699 285 H SER 35 HN SER 35 -6.600 30.640 -18.055 286 HA SER 35 HA SER 35 -5.802 33.332 -17.924 287 HB2 SER 35 HB2 SER 35 -7.277 31.617 -15.869 288 HB3 SER 35 HB1 SER 35 -7.294 33.384 -15.922 289 HG SER 35 HG SER 35 -8.114 33.040 -18.163 290 HA PRO 36 HA PRO 36 -2.256 34.652 -15.997 291 HB2 PRO 36 HB2 PRO 36 -3.265 34.117 -13.193 292 HB3 PRO 36 HB1 PRO 36 -2.271 35.458 -13.790 293 HG2 PRO 36 HG2 PRO 36 -5.064 35.509 -13.535 294 HG3 PRO 36 HG1 PRO 36 -4.115 36.625 -14.528 295 HD2 PRO 36 HD2 PRO 36 -6.014 34.726 -15.474 296 HD3 PRO 36 HD1 PRO 36 -4.853 35.632 -16.473 297 H GLN 37 HN GLN 37 -2.948 32.288 -13.401 298 HA GLN 37 HA GLN 37 -1.471 30.134 -14.433 299 HB2 GLN 37 HB2 GLN 37 0.408 31.912 -13.838 300 HB3 GLN 37 HB1 GLN 37 0.127 31.421 -12.180 301 HG2 GLN 37 HG2 GLN 37 1.034 29.608 -14.436 302 HG3 GLN 37 HG1 GLN 37 2.080 30.308 -13.213 303 HE21 GLN 37 HE21 GLN 37 1.859 29.536 -11.033 304 HE22 GLN 37 HE22 GLN 37 1.235 27.957 -10.722 305 HA PRO 38 HA PRO 38 -2.298 29.036 -9.838 306 HB2 PRO 38 HB2 PRO 38 -3.167 30.796 -7.977 307 HB3 PRO 38 HB1 PRO 38 -1.468 30.729 -8.470 308 HG2 PRO 38 HG2 PRO 38 -3.626 32.644 -9.378 309 HG3 PRO 38 HG1 PRO 38 -1.956 32.998 -8.874 310 HD2 PRO 38 HD2 PRO 38 -2.726 32.786 -11.503 311 HD3 PRO 38 HD1 PRO 38 -1.082 32.416 -10.944 312 H VAL 39 HN VAL 39 -4.652 31.230 -11.223 313 HA VAL 39 HA VAL 39 -7.041 30.164 -10.172 314 HB VAL 39 HB VAL 39 -8.080 31.053 -12.393 315 HG11 VAL 39 HG11 VAL 39 -8.152 32.346 -10.309 316 HG12 VAL 39 HG12 VAL 39 -7.876 33.415 -11.685 317 HG13 VAL 39 HG13 VAL 39 -6.535 32.981 -10.622 318 HG21 VAL 39 HG21 VAL 39 -5.261 32.151 -12.745 319 HG22 VAL 39 HG22 VAL 39 -6.668 32.573 -13.723 320 HG23 VAL 39 HG23 VAL 39 -6.025 30.931 -13.768 321 H ARG 40 HN ARG 40 -5.021 29.153 -12.921 322 HA ARG 40 HA ARG 40 -6.731 27.124 -13.962 323 HB2 ARG 40 HB2 ARG 40 -3.683 27.180 -14.028 324 HB3 ARG 40 HB1 ARG 40 -4.729 26.202 -15.063 325 HG2 ARG 40 HG2 ARG 40 -5.553 28.200 -16.179 326 HG3 ARG 40 HG1 ARG 40 -4.647 29.236 -15.069 327 HD2 ARG 40 HD2 ARG 40 -3.472 29.050 -17.205 328 HD3 ARG 40 HD1 ARG 40 -2.524 28.295 -15.922 329 HE ARG 40 HE ARG 40 -4.183 26.403 -17.299 330 HH11 ARG 40 HH11 ARG 40 -1.149 28.144 -17.596 331 HH12 ARG 40 HH12 ARG 40 -0.427 26.949 -18.623 332 HH21 ARG 40 HH21 ARG 40 -3.201 24.831 -18.647 333 HH22 ARG 40 HH22 ARG 40 -1.575 25.073 -19.198 334 H VAL 41 HN VAL 41 -4.099 27.158 -11.619 335 HA VAL 41 HA VAL 41 -3.768 24.453 -11.087 336 HB VAL 41 HB VAL 41 -3.347 26.863 -9.247 337 HG11 VAL 41 HG11 VAL 41 -3.373 24.811 -7.897 338 HG12 VAL 41 HG12 VAL 41 -1.749 25.486 -7.968 339 HG13 VAL 41 HG13 VAL 41 -2.166 24.079 -8.951 340 HG21 VAL 41 HG21 VAL 41 -2.090 27.001 -11.363 341 HG22 VAL 41 HG22 VAL 41 -1.392 25.407 -11.073 342 HG23 VAL 41 HG23 VAL 41 -0.987 26.755 -10.006 343 H LYS 42 HN LYS 42 -5.881 26.793 -9.420 344 HA LYS 42 HA LYS 42 -7.024 24.875 -7.614 345 HB2 LYS 42 HB2 LYS 42 -6.776 27.482 -7.366 346 HB3 LYS 42 HB1 LYS 42 -8.292 27.567 -8.246 347 HG2 LYS 42 HG2 LYS 42 -7.978 25.950 -5.698 348 HG3 LYS 42 HG1 LYS 42 -8.386 27.662 -5.670 349 HD2 LYS 42 HD2 LYS 42 -10.044 25.484 -7.009 350 HD3 LYS 42 HD1 LYS 42 -10.375 26.186 -5.426 351 HE2 LYS 42 HE2 LYS 42 -10.370 27.727 -8.052 352 HE3 LYS 42 HE1 LYS 42 -11.811 27.153 -7.213 353 HZ1 LYS 42 HZ1 LYS 42 -11.147 28.533 -5.308 354 HZ2 LYS 42 HZ2 LYS 42 -11.462 29.434 -6.706 355 HZ3 LYS 42 HZ3 LYS 42 -9.866 29.153 -6.224 356 H ALA 43 HN ALA 43 -7.995 26.244 -10.767 357 HA ALA 43 HA ALA 43 -10.613 25.210 -10.946 358 HB1 ALA 43 HB1 ALA 43 -9.720 26.923 -12.479 359 HB2 ALA 43 HB2 ALA 43 -10.398 25.562 -13.373 360 HB3 ALA 43 HB3 ALA 43 -8.647 25.724 -13.208 361 H VAL 44 HN VAL 44 -7.516 23.762 -11.884 362 HA VAL 44 HA VAL 44 -8.539 21.369 -13.019 363 HB VAL 44 HB VAL 44 -5.750 21.989 -11.926 364 HG11 VAL 44 HG11 VAL 44 -6.623 19.613 -13.625 365 HG12 VAL 44 HG12 VAL 44 -6.113 19.545 -11.938 366 HG13 VAL 44 HG13 VAL 44 -4.956 20.009 -13.185 367 HG21 VAL 44 HG21 VAL 44 -6.422 23.378 -13.869 368 HG22 VAL 44 HG22 VAL 44 -6.769 21.920 -14.800 369 HG23 VAL 44 HG23 VAL 44 -5.117 22.274 -14.292 370 H TYR 45 HN TYR 45 -7.282 22.223 -9.798 371 HA TYR 45 HA TYR 45 -7.563 19.834 -8.420 372 HB2 TYR 45 HB2 TYR 45 -6.575 21.605 -7.233 373 HB3 TYR 45 HB1 TYR 45 -7.859 22.735 -7.631 374 HD1 TYR 45 HD2 TYR 45 -7.009 19.815 -5.440 375 HD2 TYR 45 HD1 TYR 45 -9.715 23.051 -6.158 376 HE1 TYR 45 HE2 TYR 45 -8.062 19.442 -3.238 377 HE2 TYR 45 HE1 TYR 45 -10.755 22.669 -3.979 378 HH TYR 45 HH TYR 45 -11.029 20.952 -2.357 379 H LEU 46 HN LEU 46 -10.090 22.341 -8.872 380 HA LEU 46 HA LEU 46 -12.198 21.106 -7.507 381 HB2 LEU 46 HB2 LEU 46 -12.277 23.005 -9.883 382 HB3 LEU 46 HB1 LEU 46 -13.720 22.492 -9.019 383 HG LEU 46 HG LEU 46 -11.433 24.138 -7.869 384 HD11 LEU 46 HD11 LEU 46 -12.889 25.406 -9.376 385 HD12 LEU 46 HD12 LEU 46 -13.101 25.933 -7.708 386 HD13 LEU 46 HD13 LEU 46 -14.310 24.891 -8.462 387 HD21 LEU 46 HD21 LEU 46 -13.953 23.150 -6.474 388 HD22 LEU 46 HD22 LEU 46 -12.806 24.314 -5.809 389 HD23 LEU 46 HD23 LEU 46 -12.293 22.659 -6.115 390 H PHE 47 HN PHE 47 -11.357 20.978 -10.961 391 HA PHE 47 HA PHE 47 -13.337 19.225 -11.855 392 HB2 PHE 47 HB2 PHE 47 -12.115 20.243 -13.599 393 HB3 PHE 47 HB1 PHE 47 -10.558 19.898 -12.853 394 HD1 PHE 47 HD1 PHE 47 -13.507 17.944 -14.224 395 HD2 PHE 47 HD2 PHE 47 -9.250 18.284 -13.927 396 HE1 PHE 47 HE1 PHE 47 -13.239 15.925 -15.606 397 HE2 PHE 47 HE2 PHE 47 -8.995 16.275 -15.313 398 HZ PHE 47 HZ PHE 47 -10.988 15.086 -16.151 399 H LEU 48 HN LEU 48 -10.075 18.435 -10.596 400 HA LEU 48 HA LEU 48 -10.215 15.669 -11.119 401 HB2 LEU 48 HB2 LEU 48 -8.450 17.195 -9.194 402 HB3 LEU 48 HB1 LEU 48 -8.247 15.489 -9.560 403 HG LEU 48 HG LEU 48 -7.890 17.803 -11.506 404 HD11 LEU 48 HD11 LEU 48 -5.856 15.882 -10.349 405 HD12 LEU 48 HD12 LEU 48 -6.066 17.572 -9.887 406 HD13 LEU 48 HD13 LEU 48 -5.535 17.169 -11.518 407 HD21 LEU 48 HD21 LEU 48 -8.826 15.868 -12.694 408 HD22 LEU 48 HD22 LEU 48 -7.547 14.837 -12.047 409 HD23 LEU 48 HD23 LEU 48 -7.150 16.151 -13.156 410 H VAL 49 HN VAL 49 -10.986 17.525 -8.173 411 HA VAL 49 HA VAL 49 -11.518 15.268 -6.499 412 HB VAL 49 HB VAL 49 -12.625 18.108 -6.232 413 HG11 VAL 49 HG11 VAL 49 -12.985 17.543 -3.842 414 HG12 VAL 49 HG12 VAL 49 -12.451 15.888 -4.148 415 HG13 VAL 49 HG13 VAL 49 -13.931 16.496 -4.898 416 HG21 VAL 49 HG21 VAL 49 -10.155 18.088 -6.209 417 HG22 VAL 49 HG22 VAL 49 -10.161 16.875 -4.928 418 HG23 VAL 49 HG23 VAL 49 -10.791 18.495 -4.614 419 H ASP 50 HN ASP 50 -13.477 17.279 -8.638 420 HA ASP 50 HA ASP 50 -16.038 16.132 -8.144 421 HB2 ASP 50 HB2 ASP 50 -15.724 18.365 -9.152 422 HB3 ASP 50 HB1 ASP 50 -14.929 17.658 -10.547 423 H ALA 51 HN ALA 51 -13.367 15.245 -10.235 424 HA ALA 51 HA ALA 51 -14.969 13.362 -11.830 425 HB1 ALA 51 HB1 ALA 51 -13.057 13.328 -13.359 426 HB2 ALA 51 HB2 ALA 51 -12.123 14.324 -12.238 427 HB3 ALA 51 HB3 ALA 51 -13.552 14.990 -13.029 428 H LYS 52 HN LYS 52 -13.786 13.047 -8.942 429 HA LYS 52 HA LYS 52 -13.297 11.284 -7.606 430 HB2 LYS 52 HB2 LYS 52 -13.801 9.697 -10.154 431 HB3 LYS 52 HB1 LYS 52 -13.600 8.953 -8.571 432 HG2 LYS 52 HG2 LYS 52 -15.764 11.015 -9.120 433 HG3 LYS 52 HG1 LYS 52 -16.014 9.295 -9.430 434 HD2 LYS 52 HD2 LYS 52 -15.253 10.473 -6.719 435 HD3 LYS 52 HD1 LYS 52 -16.897 10.050 -7.212 436 HE2 LYS 52 HE2 LYS 52 -16.271 7.697 -7.433 437 HE3 LYS 52 HE1 LYS 52 -14.585 8.077 -7.084 438 HZ1 LYS 52 HZ1 LYS 52 -16.843 8.462 -5.201 439 HZ2 LYS 52 HZ2 LYS 52 -15.213 8.744 -4.872 440 HZ3 LYS 52 HZ3 LYS 52 -15.754 7.171 -5.169 441 H GLN 53 HN GLN 53 -11.177 12.589 -9.375 442 HA GLN 53 HA GLN 53 -9.136 10.599 -9.841 443 HB2 GLN 53 HB2 GLN 53 -8.960 13.636 -10.008 444 HB3 GLN 53 HB1 GLN 53 -7.786 12.496 -10.656 445 HG2 GLN 53 HG2 GLN 53 -10.659 12.758 -11.593 446 HG3 GLN 53 HG1 GLN 53 -9.266 13.489 -12.385 447 HE21 GLN 53 HE21 GLN 53 -11.230 11.539 -13.390 448 HE22 GLN 53 HE22 GLN 53 -10.304 10.192 -13.945 449 H ILE 54 HN ILE 54 -9.618 13.311 -7.547 450 HA ILE 54 HA ILE 54 -7.596 12.148 -5.717 451 HB ILE 54 HB ILE 54 -6.789 14.446 -5.083 452 HG12 ILE 54 HG12 ILE 54 -8.332 15.372 -7.553 453 HG13 ILE 54 HG11 ILE 54 -8.769 15.740 -5.890 454 HG21 ILE 54 HG21 ILE 54 -5.306 14.802 -7.018 455 HG22 ILE 54 HG22 ILE 54 -6.319 13.735 -7.994 456 HG23 ILE 54 HG23 ILE 54 -5.438 13.092 -6.606 457 HD11 ILE 54 HD11 ILE 54 -6.272 16.665 -7.305 458 HD12 ILE 54 HD12 ILE 54 -6.727 17.052 -5.642 459 HD13 ILE 54 HD13 ILE 54 -7.714 17.626 -6.985 460 H ALA 55 HN ALA 55 -7.674 13.357 -3.571 461 HA ALA 55 HA ALA 55 -10.384 13.452 -2.503 462 HB1 ALA 55 HB1 ALA 55 -7.669 13.582 -1.117 463 HB2 ALA 55 HB2 ALA 55 -8.654 12.132 -1.319 464 HB3 ALA 55 HB3 ALA 55 -9.236 13.452 -0.307 465 HA PRO 56 HA PRO 56 -10.253 17.989 -2.219 466 HB2 PRO 56 HB2 PRO 56 -12.153 18.461 -0.321 467 HB3 PRO 56 HB1 PRO 56 -12.561 17.891 -1.944 468 HG2 PRO 56 HG2 PRO 56 -12.315 16.306 0.607 469 HG3 PRO 56 HG1 PRO 56 -13.577 16.228 -0.640 470 HD2 PRO 56 HD2 PRO 56 -11.496 14.445 -0.510 471 HD3 PRO 56 HD1 PRO 56 -12.290 14.884 -2.038 472 H LEU 57 HN LEU 57 -9.368 19.581 -0.964 473 HA LEU 57 HA LEU 57 -7.909 18.913 1.472 474 HB2 LEU 57 HB2 LEU 57 -8.009 21.363 -0.322 475 HB3 LEU 57 HB1 LEU 57 -7.054 21.304 1.154 476 HG LEU 57 HG LEU 57 -6.641 19.378 -1.165 477 HD11 LEU 57 HD11 LEU 57 -5.134 21.943 -0.594 478 HD12 LEU 57 HD12 LEU 57 -6.220 21.652 -1.952 479 HD13 LEU 57 HD13 LEU 57 -4.716 20.746 -1.826 480 HD21 LEU 57 HD21 LEU 57 -4.863 20.056 1.212 481 HD22 LEU 57 HD22 LEU 57 -4.473 18.929 -0.088 482 HD23 LEU 57 HD23 LEU 57 -5.797 18.569 1.015 483 HA PRO 58 HA PRO 58 -10.830 21.244 4.154 484 HB2 PRO 58 HB2 PRO 58 -9.015 22.218 6.012 485 HB3 PRO 58 HB1 PRO 58 -9.656 20.570 6.042 486 HG2 PRO 58 HG2 PRO 58 -7.039 21.563 4.918 487 HG3 PRO 58 HG1 PRO 58 -7.351 20.146 5.945 488 HD2 PRO 58 HD2 PRO 58 -7.027 19.885 3.283 489 HD3 PRO 58 HD1 PRO 58 -8.208 18.884 4.162 490 H ASP 59 HN ASP 59 -11.326 23.471 4.586 491 HA ASP 59 HA ASP 59 -10.579 25.352 2.592 492 HB2 ASP 59 HB2 ASP 59 -12.058 25.757 5.238 493 HB3 ASP 59 HB1 ASP 59 -11.962 26.962 3.954 494 H SER 60 HN SER 60 -9.411 24.705 5.810 495 HA SER 60 HA SER 60 -7.890 27.069 6.259 496 HB2 SER 60 HB2 SER 60 -7.554 24.269 7.411 497 HB3 SER 60 HB1 SER 60 -6.871 25.753 8.082 498 HG SER 60 HG SER 60 -9.348 26.339 7.879 499 H LYS 61 HN LYS 61 -7.315 24.144 4.421 500 HA LYS 61 HA LYS 61 -4.569 25.038 3.732 501 HB2 LYS 61 HB2 LYS 61 -5.610 22.161 3.850 502 HB3 LYS 61 HB1 LYS 61 -3.998 22.643 3.315 503 HG2 LYS 61 HG2 LYS 61 -5.134 23.019 6.111 504 HG3 LYS 61 HG1 LYS 61 -3.967 21.783 5.625 505 HD2 LYS 61 HD2 LYS 61 -2.272 23.482 5.190 506 HD3 LYS 61 HD1 LYS 61 -3.439 24.780 5.439 507 HE2 LYS 61 HE2 LYS 61 -3.643 24.173 7.805 508 HE3 LYS 61 HE1 LYS 61 -2.519 22.828 7.573 509 HZ1 LYS 61 HZ1 LYS 61 -1.881 25.709 7.212 510 HZ2 LYS 61 HZ2 LYS 61 -0.802 24.430 6.978 511 HZ3 LYS 61 HZ3 LYS 61 -1.411 24.747 8.521 512 H LEU 62 HN LEU 62 -7.090 25.826 2.536 513 HA LEU 62 HA LEU 62 -6.949 24.690 -0.186 514 HB2 LEU 62 HB2 LEU 62 -9.100 25.599 1.292 515 HB3 LEU 62 HB1 LEU 62 -8.721 27.053 0.399 516 HG LEU 62 HG LEU 62 -10.521 25.657 -0.650 517 HD11 LEU 62 HD11 LEU 62 -9.729 25.744 -2.960 518 HD12 LEU 62 HD12 LEU 62 -8.064 25.934 -2.405 519 HD13 LEU 62 HD13 LEU 62 -9.255 27.194 -2.076 520 HD21 LEU 62 HD21 LEU 62 -8.316 23.626 -1.133 521 HD22 LEU 62 HD22 LEU 62 -9.971 23.537 -1.747 522 HD23 LEU 62 HD23 LEU 62 -9.670 23.441 -0.014 523 H ASP 63 HN ASP 63 -4.649 25.550 0.357 524 HA ASP 63 HA ASP 63 -4.161 28.335 -0.497 525 HB2 ASP 63 HB2 ASP 63 -3.143 27.961 1.636 526 HB3 ASP 63 HB1 ASP 63 -2.658 26.326 1.227 527 H GLY 64 HN GLY 64 -2.524 28.673 -2.085 528 HA2 GLY 64 HA2 GLY 64 -2.771 27.258 -4.429 529 HA3 GLY 64 HA1 GLY 64 -1.443 28.344 -4.070 530 H ALA 65 HN ALA 65 -0.067 26.970 -2.095 531 HA ALA 65 HA ALA 65 1.449 25.099 -3.662 532 HB1 ALA 65 HB1 ALA 65 2.840 24.870 -1.645 533 HB2 ALA 65 HB2 ALA 65 1.628 25.731 -0.691 534 HB3 ALA 65 HB3 ALA 65 2.484 26.570 -1.982 535 H ASN 66 HN ASN 66 -1.022 24.750 -1.144 536 HA ASN 66 HA ASN 66 -0.713 21.914 -0.740 537 HB2 ASN 66 HB2 ASN 66 -3.011 23.807 -0.086 538 HB3 ASN 66 HB1 ASN 66 -3.026 22.093 0.324 539 HD21 ASN 66 HD21 ASN 66 -1.352 25.139 0.933 540 HD22 ASN 66 HD22 ASN 66 -0.709 24.679 2.466 541 H ILE 67 HN ILE 67 -2.706 23.936 -2.849 542 HA ILE 67 HA ILE 67 -4.359 21.935 -3.998 543 HB ILE 67 HB ILE 67 -3.395 24.596 -5.175 544 HG12 ILE 67 HG12 ILE 67 -4.763 24.841 -3.075 545 HG13 ILE 67 HG11 ILE 67 -5.539 25.565 -4.475 546 HG21 ILE 67 HG21 ILE 67 -5.633 22.793 -6.140 547 HG22 ILE 67 HG22 ILE 67 -4.120 23.134 -6.975 548 HG23 ILE 67 HG23 ILE 67 -5.307 24.418 -6.751 549 HD11 ILE 67 HD11 ILE 67 -7.046 23.669 -4.636 550 HD12 ILE 67 HD12 ILE 67 -7.109 24.392 -3.027 551 HD13 ILE 67 HD13 ILE 67 -6.232 22.886 -3.281 552 H LYS 68 HN LYS 68 -1.289 23.404 -4.902 553 HA LYS 68 HA LYS 68 -0.645 22.061 -7.243 554 HB2 LYS 68 HB2 LYS 68 1.089 23.230 -5.039 555 HB3 LYS 68 HB1 LYS 68 1.785 22.533 -6.498 556 HG2 LYS 68 HG2 LYS 68 0.472 24.197 -7.847 557 HG3 LYS 68 HG1 LYS 68 -0.041 24.946 -6.331 558 HD2 LYS 68 HD2 LYS 68 2.312 25.381 -5.745 559 HD3 LYS 68 HD1 LYS 68 2.839 24.613 -7.245 560 HE2 LYS 68 HE2 LYS 68 1.619 26.370 -8.521 561 HE3 LYS 68 HE1 LYS 68 1.198 27.151 -6.990 562 HZ1 LYS 68 HZ1 LYS 68 3.981 26.649 -7.917 563 HZ2 LYS 68 HZ2 LYS 68 3.513 27.522 -6.550 564 HZ3 LYS 68 HZ3 LYS 68 3.169 28.124 -8.091 565 H HIS 69 HN HIS 69 -0.221 21.088 -3.878 566 HA HIS 69 HA HIS 69 1.484 18.876 -4.293 567 HB2 HIS 69 HB2 HIS 69 1.061 20.107 -2.094 568 HB3 HIS 69 HB1 HIS 69 -0.454 19.222 -1.969 569 HD1 HIS 69 HD1 HIS 69 3.275 18.508 -2.243 570 HD2 HIS 69 HD2 HIS 69 -0.183 16.796 -0.708 571 HE1 HIS 69 HE1 HIS 69 4.036 16.480 -0.968 572 HE2 HIS 69 HE2 HIS 69 1.929 15.511 0.015 573 H ARG 70 HN ARG 70 -2.051 19.125 -3.955 574 HA ARG 70 HA ARG 70 -2.777 16.427 -4.287 575 HB2 ARG 70 HB2 ARG 70 -4.216 19.018 -4.957 576 HB3 ARG 70 HB1 ARG 70 -4.953 17.462 -5.297 577 HG2 ARG 70 HG2 ARG 70 -4.120 18.437 -2.552 578 HG3 ARG 70 HG1 ARG 70 -5.763 18.441 -3.193 579 HD2 ARG 70 HD2 ARG 70 -5.465 15.881 -3.483 580 HD3 ARG 70 HD1 ARG 70 -4.051 16.052 -2.434 581 HE ARG 70 HE ARG 70 -6.756 16.933 -1.591 582 HH11 ARG 70 HH11 ARG 70 -3.870 15.055 -0.910 583 HH12 ARG 70 HH12 ARG 70 -4.428 14.568 0.660 584 HH21 ARG 70 HH21 ARG 70 -7.481 16.251 0.445 585 HH22 ARG 70 HH22 ARG 70 -6.464 15.234 1.418 586 H LEU 71 HN LEU 71 -2.342 18.994 -6.715 587 HA LEU 71 HA LEU 71 -2.999 17.492 -9.020 588 HB2 LEU 71 HB2 LEU 71 -1.124 19.884 -8.827 589 HB3 LEU 71 HB1 LEU 71 -1.873 19.279 -10.295 590 HG LEU 71 HG LEU 71 -3.235 20.684 -7.976 591 HD11 LEU 71 HD11 LEU 71 -2.114 22.158 -9.569 592 HD12 LEU 71 HD12 LEU 71 -3.862 22.345 -9.651 593 HD13 LEU 71 HD13 LEU 71 -3.014 21.433 -10.904 594 HD21 LEU 71 HD21 LEU 71 -5.370 20.441 -9.199 595 HD22 LEU 71 HD22 LEU 71 -4.735 18.896 -8.644 596 HD23 LEU 71 HD23 LEU 71 -4.581 19.349 -10.344 597 H ALA 72 HN ALA 72 0.018 18.003 -7.311 598 HA ALA 72 HA ALA 72 1.821 17.064 -9.278 599 HB1 ALA 72 HB1 ALA 72 3.496 17.116 -7.487 600 HB2 ALA 72 HB2 ALA 72 2.217 17.307 -6.284 601 HB3 ALA 72 HB3 ALA 72 2.509 18.580 -7.470 602 H LEU 73 HN LEU 73 0.469 15.534 -6.335 603 HA LEU 73 HA LEU 73 1.724 13.007 -6.767 604 HB2 LEU 73 HB2 LEU 73 -0.463 13.936 -4.926 605 HB3 LEU 73 HB1 LEU 73 -0.182 12.215 -5.128 606 HG LEU 73 HG LEU 73 2.301 12.747 -4.532 607 HD11 LEU 73 HD11 LEU 73 2.199 15.169 -4.701 608 HD12 LEU 73 HD12 LEU 73 2.664 14.672 -3.074 609 HD13 LEU 73 HD13 LEU 73 1.016 15.231 -3.390 610 HD21 LEU 73 HD21 LEU 73 1.842 12.509 -2.132 611 HD22 LEU 73 HD22 LEU 73 0.849 11.435 -3.112 612 HD23 LEU 73 HD23 LEU 73 0.141 12.897 -2.417 613 H TRP 74 HN TRP 74 -1.387 14.363 -7.758 614 HA TRP 74 HA TRP 74 -2.641 12.024 -8.678 615 HB2 TRP 74 HB2 TRP 74 -3.922 14.085 -8.544 616 HB3 TRP 74 HB1 TRP 74 -2.869 14.892 -9.700 617 HD1 TRP 74 HD1 TRP 74 -5.376 11.903 -9.643 618 HE1 TRP 74 HE1 TRP 74 -6.451 11.721 -11.970 619 HE3 TRP 74 HE3 TRP 74 -2.784 15.605 -12.032 620 HZ2 TRP 74 HZ2 TRP 74 -6.233 12.971 -14.479 621 HZ3 TRP 74 HZ3 TRP 74 -3.280 16.059 -14.400 622 HH2 TRP 74 HH2 TRP 74 -4.973 14.764 -15.601 623 H ILE 75 HN ILE 75 -0.683 14.376 -10.524 624 HA ILE 75 HA ILE 75 -0.730 12.845 -12.937 625 HB ILE 75 HB ILE 75 -0.536 15.347 -12.886 626 HG12 ILE 75 HG12 ILE 75 1.102 15.533 -14.766 627 HG13 ILE 75 HG11 ILE 75 1.721 13.927 -14.391 628 HG21 ILE 75 HG21 ILE 75 1.039 15.598 -11.038 629 HG22 ILE 75 HG22 ILE 75 1.659 16.395 -12.481 630 HG23 ILE 75 HG23 ILE 75 2.318 14.835 -11.988 631 HD11 ILE 75 HD11 ILE 75 -1.089 14.554 -15.309 632 HD12 ILE 75 HD12 ILE 75 -0.419 12.946 -15.006 633 HD13 ILE 75 HD13 ILE 75 0.221 13.938 -16.315 634 H HIS 76 HN HIS 76 1.430 13.014 -10.171 635 HA HIS 76 HA HIS 76 3.675 11.675 -11.311 636 HB2 HIS 76 HB2 HIS 76 3.514 13.025 -9.062 637 HB3 HIS 76 HB1 HIS 76 2.980 11.508 -8.349 638 HD1 HIS 76 HD1 HIS 76 5.112 11.389 -6.881 639 HD2 HIS 76 HD2 HIS 76 5.893 11.487 -10.960 640 HE1 HIS 76 HE1 HIS 76 7.562 10.939 -7.111 641 HE2 HIS 76 HE2 HIS 76 8.012 10.970 -9.589 642 H ALA 77 HN ALA 77 0.706 10.612 -9.760 643 HA ALA 77 HA ALA 77 1.215 7.784 -9.932 644 HB1 ALA 77 HB1 ALA 77 -1.190 7.574 -9.423 645 HB2 ALA 77 HB2 ALA 77 -1.406 9.306 -9.694 646 HB3 ALA 77 HB3 ALA 77 -0.417 8.741 -8.347 647 H ALA 78 HN ALA 78 -0.379 10.198 -11.980 648 HA ALA 78 HA ALA 78 -1.743 8.430 -13.712 649 HB1 ALA 78 HB1 ALA 78 -0.989 11.323 -14.204 650 HB2 ALA 78 HB2 ALA 78 -2.440 10.769 -13.368 651 HB3 ALA 78 HB3 ALA 78 -2.214 10.403 -15.080 652 H LEU 79 HN LEU 79 1.482 9.822 -13.842 653 HA LEU 79 HA LEU 79 2.095 8.990 -16.527 654 HB2 LEU 79 HB2 LEU 79 3.942 9.786 -14.246 655 HB3 LEU 79 HB1 LEU 79 4.452 9.537 -15.912 656 HG LEU 79 HG LEU 79 2.533 11.706 -14.963 657 HD11 LEU 79 HD11 LEU 79 5.412 11.961 -15.883 658 HD12 LEU 79 HD12 LEU 79 4.828 12.159 -14.231 659 HD13 LEU 79 HD13 LEU 79 4.330 13.298 -15.479 660 HD21 LEU 79 HD21 LEU 79 1.982 11.008 -17.249 661 HD22 LEU 79 HD22 LEU 79 3.664 11.221 -17.743 662 HD23 LEU 79 HD23 LEU 79 2.701 12.616 -17.253 663 HA PRO 80 HA PRO 80 2.345 4.546 -15.518 664 HB2 PRO 80 HB2 PRO 80 4.038 4.667 -18.034 665 HB3 PRO 80 HB1 PRO 80 2.775 3.506 -17.585 666 HG2 PRO 80 HG2 PRO 80 2.220 5.448 -19.305 667 HG3 PRO 80 HG1 PRO 80 1.043 5.021 -18.043 668 HD2 PRO 80 HD2 PRO 80 2.895 7.385 -18.188 669 HD3 PRO 80 HD1 PRO 80 1.239 7.291 -17.557 670 H ASP 81 HN ASP 81 5.234 6.315 -16.566 671 HA ASP 81 HA ASP 81 7.070 4.445 -15.278 672 HB2 ASP 81 HB2 ASP 81 7.645 6.976 -16.885 673 HB3 ASP 81 HB1 ASP 81 8.857 5.812 -16.344 674 H ASN 82 HN ASN 82 5.336 7.112 -14.306 675 HA ASN 82 HA ASN 82 5.181 8.269 -12.375 676 HB2 ASN 82 HB2 ASN 82 7.467 6.558 -11.316 677 HB3 ASN 82 HB1 ASN 82 6.333 7.468 -10.333 678 HD21 ASN 82 HD21 ASN 82 4.246 6.268 -12.504 679 HD22 ASN 82 HD22 ASN 82 3.919 4.724 -11.822 680 H ASP 83 HN ASP 83 6.648 9.380 -14.442 681 HA ASP 83 HA ASP 83 9.282 10.120 -14.005 682 HB2 ASP 83 HB2 ASP 83 7.145 11.572 -15.614 683 HB3 ASP 83 HB1 ASP 83 8.863 11.944 -15.697 684 HA PRO 84 HA PRO 84 8.964 13.761 -11.231 685 HB2 PRO 84 HB2 PRO 84 11.558 14.449 -11.163 686 HB3 PRO 84 HB1 PRO 84 11.019 12.932 -10.422 687 HG2 PRO 84 HG2 PRO 84 12.249 13.363 -13.158 688 HG3 PRO 84 HG1 PRO 84 12.718 12.188 -11.905 689 HD2 PRO 84 HD2 PRO 84 11.084 11.542 -14.002 690 HD3 PRO 84 HD1 PRO 84 10.949 10.753 -12.415 691 H LEU 85 HN LEU 85 9.369 13.667 -14.533 692 HA LEU 85 HA LEU 85 9.274 15.065 -16.267 693 HB2 LEU 85 HB2 LEU 85 8.331 17.003 -14.155 694 HB3 LEU 85 HB1 LEU 85 8.475 17.466 -15.840 695 HG LEU 85 HG LEU 85 6.917 15.487 -16.360 696 HD11 LEU 85 HD11 LEU 85 5.338 14.871 -14.516 697 HD12 LEU 85 HD12 LEU 85 6.438 15.657 -13.384 698 HD13 LEU 85 HD13 LEU 85 6.978 14.260 -14.304 699 HD21 LEU 85 HD21 LEU 85 5.838 17.873 -14.835 700 HD22 LEU 85 HD22 LEU 85 4.927 16.855 -15.952 701 HD23 LEU 85 HD23 LEU 85 6.264 17.830 -16.548 702 H LYS 86 HN LYS 86 11.744 14.751 -14.752 703 HA LYS 86 HA LYS 86 13.287 17.178 -15.094 704 HB2 LYS 86 HB2 LYS 86 13.791 15.522 -13.319 705 HB3 LYS 86 HB1 LYS 86 14.150 14.299 -14.526 706 HG2 LYS 86 HG2 LYS 86 15.745 16.878 -14.424 707 HG3 LYS 86 HG1 LYS 86 16.112 15.551 -13.321 708 HD2 LYS 86 HD2 LYS 86 16.504 14.056 -15.259 709 HD3 LYS 86 HD1 LYS 86 16.133 15.381 -16.357 710 HE2 LYS 86 HE2 LYS 86 18.090 16.634 -15.444 711 HE3 LYS 86 HE1 LYS 86 18.485 15.232 -14.446 712 HZ1 LYS 86 HZ1 LYS 86 18.392 15.297 -17.420 713 HZ2 LYS 86 HZ2 LYS 86 18.730 13.928 -16.487 714 HZ3 LYS 86 HZ3 LYS 86 19.791 15.244 -16.467 Start of MODEL 3 1 H MET 1 HT1 MET 1 0.427 3.410 -11.812 2 HA MET 1 HA MET 1 -0.674 5.021 -10.434 3 HB2 MET 1 HB2 MET 1 -2.408 3.419 -9.551 4 HB3 MET 1 HB1 MET 1 -1.174 2.668 -8.551 5 HG2 MET 1 HG2 MET 1 -2.434 4.113 -7.145 6 HG3 MET 1 HG1 MET 1 -0.875 4.899 -7.403 7 HE1 MET 1 HE1 MET 1 -3.646 7.793 -7.132 8 HE2 MET 1 HE2 MET 1 -2.230 7.094 -6.344 9 HE3 MET 1 HE3 MET 1 -3.760 6.212 -6.358 10 H SER 2 HN SER 2 1.494 5.673 -10.591 11 HA SER 2 HA SER 2 3.565 4.385 -8.982 12 HB2 SER 2 HB2 SER 2 4.057 5.112 -11.327 13 HB3 SER 2 HB1 SER 2 3.809 6.792 -10.845 14 HG SER 2 HG SER 2 5.908 5.053 -10.293 15 H LYS 3 HN LYS 3 2.484 4.895 -6.974 16 HA LYS 3 HA LYS 3 2.248 7.686 -6.127 17 HB2 LYS 3 HB2 LYS 3 0.459 5.922 -5.713 18 HB3 LYS 3 HB1 LYS 3 1.561 5.130 -4.600 19 HG2 LYS 3 HG2 LYS 3 -0.069 6.436 -3.358 20 HG3 LYS 3 HG1 LYS 3 1.537 7.140 -3.152 21 HD2 LYS 3 HD2 LYS 3 0.977 8.860 -4.877 22 HD3 LYS 3 HD1 LYS 3 -0.645 8.170 -5.010 23 HE2 LYS 3 HE2 LYS 3 0.559 9.423 -2.513 24 HE3 LYS 3 HE1 LYS 3 -0.647 10.164 -3.569 25 HZ1 LYS 3 HZ1 LYS 3 -1.031 7.679 -1.982 26 HZ2 LYS 3 HZ2 LYS 3 -2.182 8.384 -3.000 27 HZ3 LYS 3 HZ3 LYS 3 -1.670 9.200 -1.612 28 H THR 4 HN THR 4 4.913 6.729 -6.633 29 HA THR 4 HA THR 4 6.341 6.256 -4.201 30 HB THR 4 HB THR 4 7.289 5.514 -6.324 31 HG1 THR 4 HG1 THR 4 9.092 5.822 -5.285 32 HG21 THR 4 HG21 THR 4 7.485 8.443 -7.123 33 HG22 THR 4 HG22 THR 4 6.414 7.242 -7.846 34 HG23 THR 4 HG23 THR 4 8.163 7.087 -8.025 35 H ALA 5 HN ALA 5 8.011 7.806 -3.384 36 HA ALA 5 HA ALA 5 6.868 10.485 -3.002 37 HB1 ALA 5 HB1 ALA 5 8.361 10.599 -1.048 38 HB2 ALA 5 HB2 ALA 5 9.081 9.048 -1.491 39 HB3 ALA 5 HB3 ALA 5 7.383 9.131 -1.013 40 H LYS 6 HN LYS 6 8.782 9.406 -5.332 41 HA LYS 6 HA LYS 6 11.034 11.246 -5.221 42 HB2 LYS 6 HB2 LYS 6 9.986 9.449 -7.449 43 HB3 LYS 6 HB1 LYS 6 11.441 10.430 -7.591 44 HG2 LYS 6 HG2 LYS 6 12.491 9.143 -5.760 45 HG3 LYS 6 HG1 LYS 6 11.031 8.154 -5.617 46 HD2 LYS 6 HD2 LYS 6 11.351 7.285 -7.885 47 HD3 LYS 6 HD1 LYS 6 12.727 8.360 -8.143 48 HE2 LYS 6 HE2 LYS 6 12.628 6.136 -6.077 49 HE3 LYS 6 HE1 LYS 6 13.388 6.003 -7.661 50 HZ1 LYS 6 HZ1 LYS 6 14.978 6.500 -5.892 51 HZ2 LYS 6 HZ2 LYS 6 14.181 7.950 -5.566 52 HZ3 LYS 6 HZ3 LYS 6 14.941 7.722 -7.058 53 H LEU 7 HN LEU 7 9.150 12.995 -4.827 54 HA LEU 7 HA LEU 7 7.899 14.012 -7.254 55 HB2 LEU 7 HB2 LEU 7 6.700 14.089 -5.090 56 HB3 LEU 7 HB1 LEU 7 7.956 15.101 -4.415 57 HG LEU 7 HG LEU 7 7.327 16.912 -6.055 58 HD11 LEU 7 HD11 LEU 7 6.342 15.534 -7.819 59 HD12 LEU 7 HD12 LEU 7 5.212 16.770 -7.275 60 HD13 LEU 7 HD13 LEU 7 5.002 15.097 -6.753 61 HD21 LEU 7 HD21 LEU 7 6.429 16.953 -3.756 62 HD22 LEU 7 HD22 LEU 7 5.039 15.997 -4.276 63 HD23 LEU 7 HD23 LEU 7 5.279 17.626 -4.912 64 H ASN 8 HN ASN 8 9.787 14.378 -8.489 65 HA ASN 8 HA ASN 8 11.869 16.198 -7.619 66 HB2 ASN 8 HB2 ASN 8 11.422 14.744 -10.263 67 HB3 ASN 8 HB1 ASN 8 12.831 15.740 -9.915 68 HD21 ASN 8 HD21 ASN 8 14.355 14.989 -8.399 69 HD22 ASN 8 HD22 ASN 8 14.439 13.326 -7.941 70 H ASN 9 HN ASN 9 11.324 18.276 -7.544 71 HA ASN 9 HA ASN 9 10.648 20.365 -8.002 72 HB2 ASN 9 HB2 ASN 9 12.309 20.198 -9.829 73 HB3 ASN 9 HB1 ASN 9 11.075 19.550 -10.904 74 HD21 ASN 9 HD21 ASN 9 10.623 22.276 -8.650 75 HD22 ASN 9 HD22 ASN 9 10.391 23.468 -9.873 76 H GLU 10 HN GLU 10 8.613 20.283 -7.218 77 HA GLU 10 HA GLU 10 6.317 19.096 -8.122 78 HB2 GLU 10 HB2 GLU 10 6.592 20.163 -5.906 79 HB3 GLU 10 HB1 GLU 10 6.568 21.754 -6.659 80 HG2 GLU 10 HG2 GLU 10 4.235 21.392 -7.369 81 HG3 GLU 10 HG1 GLU 10 4.255 19.796 -6.630 82 H GLU 11 HN GLU 11 7.603 22.223 -9.131 83 HA GLU 11 HA GLU 11 5.484 23.476 -10.331 84 HB2 GLU 11 HB2 GLU 11 8.401 23.445 -11.181 85 HB3 GLU 11 HB1 GLU 11 7.216 24.577 -11.833 86 HG2 GLU 11 HG2 GLU 11 6.836 25.480 -9.563 87 HG3 GLU 11 HG1 GLU 11 8.015 24.338 -8.916 88 H LYS 12 HN LYS 12 7.682 21.142 -11.949 89 HA LYS 12 HA LYS 12 6.556 21.348 -14.546 90 HB2 LYS 12 HB2 LYS 12 7.992 18.922 -13.387 91 HB3 LYS 12 HB1 LYS 12 7.761 19.287 -15.099 92 HG2 LYS 12 HG2 LYS 12 9.144 21.396 -14.690 93 HG3 LYS 12 HG1 LYS 12 9.535 20.721 -13.106 94 HD2 LYS 12 HD2 LYS 12 10.214 19.551 -15.832 95 HD3 LYS 12 HD1 LYS 12 11.342 20.204 -14.642 96 HE2 LYS 12 HE2 LYS 12 9.673 17.676 -14.340 97 HE3 LYS 12 HE1 LYS 12 11.404 17.743 -14.659 98 HZ1 LYS 12 HZ1 LYS 12 11.720 18.780 -12.503 99 HZ2 LYS 12 HZ2 LYS 12 10.943 17.287 -12.345 100 HZ3 LYS 12 HZ3 LYS 12 10.056 18.719 -12.194 101 H LEU 13 HN LEU 13 5.835 19.304 -11.788 102 HA LEU 13 HA LEU 13 4.009 17.564 -13.149 103 HB2 LEU 13 HB2 LEU 13 4.442 18.055 -10.185 104 HB3 LEU 13 HB1 LEU 13 3.357 16.839 -10.838 105 HG LEU 13 HG LEU 13 5.646 16.130 -12.138 106 HD11 LEU 13 HD11 LEU 13 7.044 17.817 -11.101 107 HD12 LEU 13 HD12 LEU 13 7.571 16.197 -10.655 108 HD13 LEU 13 HD13 LEU 13 6.667 17.180 -9.498 109 HD21 LEU 13 HD21 LEU 13 4.848 15.189 -9.382 110 HD22 LEU 13 HD22 LEU 13 5.925 14.335 -10.490 111 HD23 LEU 13 HD23 LEU 13 4.237 14.592 -10.926 112 H VAL 14 HN VAL 14 3.646 20.507 -11.207 113 HA VAL 14 HA VAL 14 0.835 20.613 -11.010 114 HB VAL 14 HB VAL 14 2.794 22.953 -11.212 115 HG11 VAL 14 HG11 VAL 14 -0.092 22.973 -10.197 116 HG12 VAL 14 HG12 VAL 14 0.484 23.728 -11.686 117 HG13 VAL 14 HG13 VAL 14 1.031 24.336 -10.123 118 HG21 VAL 14 HG21 VAL 14 3.300 21.470 -9.331 119 HG22 VAL 14 HG22 VAL 14 1.640 21.589 -8.755 120 HG23 VAL 14 HG23 VAL 14 2.682 23.014 -8.745 121 H LYS 15 HN LYS 15 3.055 22.015 -13.400 122 HA LYS 15 HA LYS 15 1.223 23.105 -15.216 123 HB2 LYS 15 HB2 LYS 15 4.009 21.970 -15.689 124 HB3 LYS 15 HB1 LYS 15 3.128 22.954 -16.859 125 HG2 LYS 15 HG2 LYS 15 3.221 24.887 -15.412 126 HG3 LYS 15 HG1 LYS 15 3.868 23.927 -14.079 127 HD2 LYS 15 HD2 LYS 15 5.646 25.248 -15.142 128 HD3 LYS 15 HD1 LYS 15 5.939 23.521 -15.348 129 HE2 LYS 15 HE2 LYS 15 5.001 23.686 -17.671 130 HE3 LYS 15 HE1 LYS 15 4.831 25.430 -17.446 131 HZ1 LYS 15 HZ1 LYS 15 7.229 25.552 -17.094 132 HZ2 LYS 15 HZ2 LYS 15 6.850 24.924 -18.616 133 HZ3 LYS 15 HZ3 LYS 15 7.365 23.892 -17.381 134 H LYS 16 HN LYS 16 2.621 19.857 -14.981 135 HA LYS 16 HA LYS 16 1.568 18.849 -17.432 136 HB2 LYS 16 HB2 LYS 16 3.566 17.908 -16.194 137 HB3 LYS 16 HB1 LYS 16 2.458 17.244 -15.003 138 HG2 LYS 16 HG2 LYS 16 3.145 15.521 -16.599 139 HG3 LYS 16 HG1 LYS 16 1.409 15.836 -16.737 140 HD2 LYS 16 HD2 LYS 16 1.877 17.312 -18.706 141 HD3 LYS 16 HD1 LYS 16 3.588 16.889 -18.581 142 HE2 LYS 16 HE2 LYS 16 3.052 14.538 -19.048 143 HE3 LYS 16 HE1 LYS 16 1.327 14.930 -19.104 144 HZ1 LYS 16 HZ1 LYS 16 3.433 15.929 -20.935 145 HZ2 LYS 16 HZ2 LYS 16 1.819 16.435 -20.960 146 HZ3 LYS 16 HZ3 LYS 16 2.207 14.828 -21.308 147 H ALA 17 HN ALA 17 0.364 19.069 -14.163 148 HA ALA 17 HA ALA 17 -1.949 17.383 -14.567 149 HB1 ALA 17 HB1 ALA 17 -0.973 17.647 -12.332 150 HB2 ALA 17 HB2 ALA 17 -2.655 18.183 -12.354 151 HB3 ALA 17 HB3 ALA 17 -1.347 19.371 -12.359 152 H LEU 18 HN LEU 18 -1.159 20.802 -14.951 153 HA LEU 18 HA LEU 18 -3.829 21.733 -15.407 154 HB2 LEU 18 HB2 LEU 18 -1.269 22.929 -16.542 155 HB3 LEU 18 HB1 LEU 18 -2.830 23.729 -16.417 156 HG LEU 18 HG LEU 18 -0.943 22.999 -14.157 157 HD11 LEU 18 HD11 LEU 18 -0.866 25.395 -13.699 158 HD12 LEU 18 HD12 LEU 18 -1.942 25.709 -15.065 159 HD13 LEU 18 HD13 LEU 18 -0.333 25.036 -15.341 160 HD21 LEU 18 HD21 LEU 18 -3.760 24.085 -13.884 161 HD22 LEU 18 HD22 LEU 18 -2.577 23.937 -12.581 162 HD23 LEU 18 HD23 LEU 18 -3.184 22.493 -13.380 163 H GLU 19 HN GLU 19 -1.297 20.332 -17.403 164 HA GLU 19 HA GLU 19 -2.522 20.589 -19.938 165 HB2 GLU 19 HB2 GLU 19 -0.488 18.564 -18.919 166 HB3 GLU 19 HB1 GLU 19 -0.949 18.723 -20.611 167 HG2 GLU 19 HG2 GLU 19 -0.005 20.972 -20.704 168 HG3 GLU 19 HG1 GLU 19 0.338 20.932 -18.972 169 H ILE 20 HN ILE 20 -2.308 17.718 -17.799 170 HA ILE 20 HA ILE 20 -4.019 16.141 -19.478 171 HB ILE 20 HB ILE 20 -3.057 15.497 -16.655 172 HG12 ILE 20 HG12 ILE 20 -1.108 15.905 -18.119 173 HG13 ILE 20 HG11 ILE 20 -1.222 14.192 -17.741 174 HG21 ILE 20 HG21 ILE 20 -3.451 13.123 -17.284 175 HG22 ILE 20 HG22 ILE 20 -4.117 13.655 -18.830 176 HG23 ILE 20 HG23 ILE 20 -4.938 14.076 -17.325 177 HD11 ILE 20 HD11 ILE 20 -2.052 15.497 -20.338 178 HD12 ILE 20 HD12 ILE 20 -2.180 13.776 -19.961 179 HD13 ILE 20 HD13 ILE 20 -0.597 14.544 -20.049 180 H GLY 21 HN GLY 21 -4.398 17.593 -16.238 181 HA2 GLY 21 HA2 GLY 21 -7.093 16.843 -15.799 182 HA3 GLY 21 HA1 GLY 21 -6.242 18.152 -14.992 183 H GLY 22 HN GLY 22 -5.606 19.663 -17.359 184 HA2 GLY 22 HA2 GLY 22 -7.985 21.208 -17.649 185 HA3 GLY 22 HA1 GLY 22 -6.472 21.455 -18.502 186 H LYS 23 HN LYS 23 -6.285 18.936 -19.835 187 HA LYS 23 HA LYS 23 -7.999 19.461 -22.092 188 HB2 LYS 23 HB2 LYS 23 -6.891 17.654 -23.252 189 HB3 LYS 23 HB1 LYS 23 -5.666 18.582 -22.399 190 HG2 LYS 23 HG2 LYS 23 -5.306 16.877 -20.799 191 HG3 LYS 23 HG1 LYS 23 -6.822 16.066 -21.188 192 HD2 LYS 23 HD2 LYS 23 -5.915 15.435 -23.395 193 HD3 LYS 23 HD1 LYS 23 -4.373 16.200 -22.981 194 HE2 LYS 23 HE2 LYS 23 -4.080 14.608 -21.120 195 HE3 LYS 23 HE1 LYS 23 -5.646 13.879 -21.477 196 HZ1 LYS 23 HZ1 LYS 23 -3.853 12.568 -22.370 197 HZ2 LYS 23 HZ2 LYS 23 -3.280 13.884 -23.260 198 HZ3 LYS 23 HZ3 LYS 23 -4.785 13.207 -23.631 199 H MET 24 HN MET 24 -7.888 17.034 -19.509 200 HA MET 24 HA MET 24 -9.906 15.318 -20.531 201 HB2 MET 24 HB2 MET 24 -8.799 15.723 -17.739 202 HB3 MET 24 HB1 MET 24 -10.134 14.607 -18.035 203 HG2 MET 24 HG2 MET 24 -8.577 13.469 -19.741 204 HG3 MET 24 HG1 MET 24 -7.283 14.415 -19.002 205 HE1 MET 24 HE1 MET 24 -8.830 14.320 -15.921 206 HE2 MET 24 HE2 MET 24 -7.079 14.380 -16.150 207 HE3 MET 24 HE3 MET 24 -7.806 13.085 -15.192 208 H ALA 25 HN ALA 25 -9.979 17.964 -18.135 209 HA ALA 25 HA ALA 25 -12.689 18.083 -17.553 210 HB1 ALA 25 HB1 ALA 25 -12.306 20.439 -16.948 211 HB2 ALA 25 HB2 ALA 25 -10.757 20.414 -17.797 212 HB3 ALA 25 HB3 ALA 25 -10.997 19.410 -16.365 213 H LYS 26 HN LYS 26 -10.894 19.802 -20.054 214 HA LYS 26 HA LYS 26 -12.772 21.248 -21.397 215 HB2 LYS 26 HB2 LYS 26 -10.348 21.268 -21.866 216 HB3 LYS 26 HB1 LYS 26 -10.450 19.659 -22.565 217 HG2 LYS 26 HG2 LYS 26 -11.887 20.574 -24.393 218 HG3 LYS 26 HG1 LYS 26 -11.683 22.193 -23.708 219 HD2 LYS 26 HD2 LYS 26 -9.452 20.395 -24.754 220 HD3 LYS 26 HD1 LYS 26 -10.120 21.798 -25.593 221 HE2 LYS 26 HE2 LYS 26 -9.278 23.284 -23.825 222 HE3 LYS 26 HE1 LYS 26 -8.677 21.899 -22.910 223 HZ1 LYS 26 HZ1 LYS 26 -6.963 23.051 -24.212 224 HZ2 LYS 26 HZ2 LYS 26 -7.764 22.624 -25.634 225 HZ3 LYS 26 HZ3 LYS 26 -7.120 21.423 -24.636 226 H MET 27 HN MET 27 -11.804 17.912 -22.209 227 HA MET 27 HA MET 27 -13.745 17.411 -24.205 228 HB2 MET 27 HB2 MET 27 -12.113 15.503 -22.491 229 HB3 MET 27 HB1 MET 27 -13.081 14.993 -23.872 230 HG2 MET 27 HG2 MET 27 -11.692 16.417 -25.352 231 HG3 MET 27 HG1 MET 27 -10.699 16.863 -23.963 232 HE1 MET 27 HE1 MET 27 -10.377 14.170 -22.345 233 HE2 MET 27 HE2 MET 27 -8.966 15.147 -22.756 234 HE3 MET 27 HE3 MET 27 -8.974 13.413 -23.094 235 H GLN 28 HN GLN 28 -13.794 16.858 -20.703 236 HA GLN 28 HA GLN 28 -16.213 15.338 -20.583 237 HB2 GLN 28 HB2 GLN 28 -14.797 16.988 -18.449 238 HB3 GLN 28 HB1 GLN 28 -16.199 15.972 -18.119 239 HG2 GLN 28 HG2 GLN 28 -13.524 14.982 -19.155 240 HG3 GLN 28 HG1 GLN 28 -14.035 14.914 -17.472 241 HE21 GLN 28 HE21 GLN 28 -13.257 12.749 -19.251 242 HE22 GLN 28 HE22 GLN 28 -14.588 11.651 -19.299 243 H GLY 29 HN GLY 29 -15.501 18.706 -20.905 244 HA2 GLY 29 HA2 GLY 29 -17.289 19.942 -22.101 245 HA3 GLY 29 HA1 GLY 29 -18.399 19.385 -20.852 246 H PHE 30 HN PHE 30 -15.051 20.586 -20.465 247 HA PHE 30 HA PHE 30 -16.037 22.897 -18.889 248 HB2 PHE 30 HB2 PHE 30 -14.121 20.828 -17.713 249 HB3 PHE 30 HB1 PHE 30 -14.597 22.335 -16.943 250 HD1 PHE 30 HD2 PHE 30 -17.053 22.647 -16.281 251 HD2 PHE 30 HD1 PHE 30 -15.440 18.849 -17.425 252 HE1 PHE 30 HE2 PHE 30 -18.941 21.507 -15.182 253 HE2 PHE 30 HE1 PHE 30 -17.336 17.722 -16.329 254 HZ PHE 30 HZ PHE 30 -19.084 19.049 -15.203 255 H ASP 31 HN ASP 31 -15.135 24.045 -20.708 256 HA ASP 31 HA ASP 31 -12.321 24.169 -21.190 257 HB2 ASP 31 HB2 ASP 31 -12.877 26.355 -22.352 258 HB3 ASP 31 HB1 ASP 31 -13.785 24.969 -22.932 259 H LEU 32 HN LEU 32 -11.232 24.324 -19.275 260 HA LEU 32 HA LEU 32 -11.950 25.987 -17.090 261 HB2 LEU 32 HB2 LEU 32 -9.292 24.655 -17.716 262 HB3 LEU 32 HB1 LEU 32 -9.712 25.380 -16.168 263 HG LEU 32 HG LEU 32 -10.980 22.906 -17.420 264 HD11 LEU 32 HD11 LEU 32 -8.775 22.476 -16.454 265 HD12 LEU 32 HD12 LEU 32 -10.035 21.707 -15.496 266 HD13 LEU 32 HD13 LEU 32 -9.279 23.195 -14.921 267 HD21 LEU 32 HD21 LEU 32 -12.345 22.709 -15.369 268 HD22 LEU 32 HD22 LEU 32 -12.730 24.178 -16.258 269 HD23 LEU 32 HD23 LEU 32 -11.735 24.266 -14.802 270 HA PRO 33 HA PRO 33 -10.333 29.980 -18.331 271 HB2 PRO 33 HB2 PRO 33 -9.659 30.409 -15.439 272 HB3 PRO 33 HB1 PRO 33 -10.687 31.375 -16.505 273 HG2 PRO 33 HG2 PRO 33 -11.774 29.825 -14.614 274 HG3 PRO 33 HG1 PRO 33 -12.534 29.960 -16.217 275 HD2 PRO 33 HD2 PRO 33 -10.797 27.741 -15.127 276 HD3 PRO 33 HD1 PRO 33 -12.304 27.632 -16.066 277 H GLN 34 HN GLN 34 -8.333 30.902 -18.863 278 HA GLN 34 HA GLN 34 -5.948 29.280 -18.138 279 HB2 GLN 34 HB2 GLN 34 -6.985 28.667 -20.342 280 HB3 GLN 34 HB1 GLN 34 -6.682 30.297 -20.918 281 HG2 GLN 34 HG2 GLN 34 -4.395 28.539 -19.974 282 HG3 GLN 34 HG1 GLN 34 -5.065 28.348 -21.590 283 HE21 GLN 34 HE21 GLN 34 -3.153 30.381 -19.508 284 HE22 GLN 34 HE22 GLN 34 -2.603 31.471 -20.729 285 H SER 35 HN SER 35 -7.045 32.432 -19.487 286 HA SER 35 HA SER 35 -4.568 33.396 -20.168 287 HB2 SER 35 HB2 SER 35 -5.643 35.719 -20.168 288 HB3 SER 35 HB1 SER 35 -6.436 34.482 -21.143 289 HG SER 35 HG SER 35 -7.870 34.188 -19.347 290 HA PRO 36 HA PRO 36 -3.904 35.977 -16.145 291 HB2 PRO 36 HB2 PRO 36 -5.125 35.317 -13.792 292 HB3 PRO 36 HB1 PRO 36 -5.876 36.396 -14.977 293 HG2 PRO 36 HG2 PRO 36 -6.340 33.460 -14.516 294 HG3 PRO 36 HG1 PRO 36 -7.533 34.750 -14.752 295 HD2 PRO 36 HD2 PRO 36 -6.766 33.071 -16.778 296 HD3 PRO 36 HD1 PRO 36 -7.252 34.756 -17.071 297 H GLN 37 HN GLN 37 -4.426 32.509 -15.751 298 HA GLN 37 HA GLN 37 -2.852 30.887 -15.753 299 HB2 GLN 37 HB2 GLN 37 -0.898 32.800 -14.471 300 HB3 GLN 37 HB1 GLN 37 -0.553 31.085 -14.672 301 HG2 GLN 37 HG2 GLN 37 -1.111 33.075 -16.907 302 HG3 GLN 37 HG1 GLN 37 0.471 32.431 -16.470 303 HE21 GLN 37 HE21 GLN 37 -0.957 32.291 -19.022 304 HE22 GLN 37 HE22 GLN 37 -1.061 30.609 -19.410 305 HA PRO 38 HA PRO 38 -2.505 30.076 -10.949 306 HB2 PRO 38 HB2 PRO 38 -4.183 32.167 -9.638 307 HB3 PRO 38 HB1 PRO 38 -2.583 31.567 -9.194 308 HG2 PRO 38 HG2 PRO 38 -2.928 34.025 -10.261 309 HG3 PRO 38 HG1 PRO 38 -1.482 33.052 -10.617 310 HD2 PRO 38 HD2 PRO 38 -3.949 33.481 -12.292 311 HD3 PRO 38 HD1 PRO 38 -2.243 33.461 -12.787 312 H VAL 39 HN VAL 39 -5.403 31.403 -12.348 313 HA VAL 39 HA VAL 39 -7.382 30.053 -10.862 314 HB VAL 39 HB VAL 39 -8.928 30.623 -12.688 315 HG11 VAL 39 HG11 VAL 39 -6.982 32.883 -12.080 316 HG12 VAL 39 HG12 VAL 39 -8.347 32.387 -11.077 317 HG13 VAL 39 HG13 VAL 39 -8.633 33.080 -12.674 318 HG21 VAL 39 HG21 VAL 39 -6.451 31.444 -14.268 319 HG22 VAL 39 HG22 VAL 39 -8.120 31.724 -14.767 320 HG23 VAL 39 HG23 VAL 39 -7.511 30.076 -14.628 321 H ARG 40 HN ARG 40 -5.370 29.030 -13.556 322 HA ARG 40 HA ARG 40 -6.813 26.799 -14.498 323 HB2 ARG 40 HB2 ARG 40 -3.778 27.156 -14.369 324 HB3 ARG 40 HB1 ARG 40 -4.609 25.910 -15.303 325 HG2 ARG 40 HG2 ARG 40 -5.738 27.815 -16.574 326 HG3 ARG 40 HG1 ARG 40 -4.598 28.904 -15.781 327 HD2 ARG 40 HD2 ARG 40 -3.854 28.240 -18.057 328 HD3 ARG 40 HD1 ARG 40 -2.717 27.727 -16.810 329 HE ARG 40 HE ARG 40 -3.012 25.598 -17.531 330 HH11 ARG 40 HH11 ARG 40 -6.038 27.237 -18.330 331 HH12 ARG 40 HH12 ARG 40 -6.695 25.862 -19.152 332 HH21 ARG 40 HH21 ARG 40 -3.909 23.810 -18.571 333 HH22 ARG 40 HH22 ARG 40 -5.489 23.912 -19.281 334 H VAL 41 HN VAL 41 -4.372 27.143 -11.985 335 HA VAL 41 HA VAL 41 -3.954 24.470 -11.305 336 HB VAL 41 HB VAL 41 -3.618 27.009 -9.634 337 HG11 VAL 41 HG11 VAL 41 -2.013 25.757 -8.240 338 HG12 VAL 41 HG12 VAL 41 -2.401 24.278 -9.121 339 HG13 VAL 41 HG13 VAL 41 -3.632 25.069 -8.144 340 HG21 VAL 41 HG21 VAL 41 -1.592 25.475 -11.319 341 HG22 VAL 41 HG22 VAL 41 -1.246 26.916 -10.351 342 HG23 VAL 41 HG23 VAL 41 -2.331 27.024 -11.741 343 H LYS 42 HN LYS 42 -6.115 26.864 -9.816 344 HA LYS 42 HA LYS 42 -7.183 25.144 -7.801 345 HB2 LYS 42 HB2 LYS 42 -7.035 27.775 -7.927 346 HB3 LYS 42 HB1 LYS 42 -8.558 27.674 -8.794 347 HG2 LYS 42 HG2 LYS 42 -8.140 26.524 -6.013 348 HG3 LYS 42 HG1 LYS 42 -8.696 28.174 -6.296 349 HD2 LYS 42 HD2 LYS 42 -10.138 25.626 -7.159 350 HD3 LYS 42 HD1 LYS 42 -10.578 26.648 -5.787 351 HE2 LYS 42 HE2 LYS 42 -10.615 27.505 -8.711 352 HE3 LYS 42 HE1 LYS 42 -12.028 27.065 -7.752 353 HZ1 LYS 42 HZ1 LYS 42 -10.232 29.376 -7.281 354 HZ2 LYS 42 HZ2 LYS 42 -11.508 28.925 -6.267 355 HZ3 LYS 42 HZ3 LYS 42 -11.823 29.426 -7.854 356 H ALA 43 HN ALA 43 -8.255 26.098 -11.050 357 HA ALA 43 HA ALA 43 -10.869 24.995 -11.020 358 HB1 ALA 43 HB1 ALA 43 -10.809 25.246 -13.471 359 HB2 ALA 43 HB2 ALA 43 -9.063 25.507 -13.412 360 HB3 ALA 43 HB3 ALA 43 -10.153 26.680 -12.672 361 H VAL 44 HN VAL 44 -7.783 23.702 -12.200 362 HA VAL 44 HA VAL 44 -8.642 21.210 -13.163 363 HB VAL 44 HB VAL 44 -5.912 22.060 -12.087 364 HG11 VAL 44 HG11 VAL 44 -6.597 19.472 -13.541 365 HG12 VAL 44 HG12 VAL 44 -6.092 19.608 -11.857 366 HG13 VAL 44 HG13 VAL 44 -4.966 20.026 -13.146 367 HG21 VAL 44 HG21 VAL 44 -5.268 22.170 -14.461 368 HG22 VAL 44 HG22 VAL 44 -6.662 23.204 -14.160 369 HG23 VAL 44 HG23 VAL 44 -6.882 21.637 -14.944 370 H TYR 45 HN TYR 45 -7.389 22.186 -9.969 371 HA TYR 45 HA TYR 45 -7.507 19.819 -8.552 372 HB2 TYR 45 HB2 TYR 45 -6.556 21.636 -7.428 373 HB3 TYR 45 HB1 TYR 45 -7.884 22.716 -7.813 374 HD1 TYR 45 HD1 TYR 45 -6.946 19.814 -5.614 375 HD2 TYR 45 HD2 TYR 45 -9.620 23.092 -6.251 376 HE1 TYR 45 HE1 TYR 45 -7.910 19.478 -3.370 377 HE2 TYR 45 HE2 TYR 45 -10.564 22.766 -4.018 378 HH TYR 45 HH TYR 45 -10.810 20.940 -2.408 379 H LEU 46 HN LEU 46 -10.189 22.196 -8.881 380 HA LEU 46 HA LEU 46 -12.165 20.843 -7.437 381 HB2 LEU 46 HB2 LEU 46 -12.494 22.667 -9.853 382 HB3 LEU 46 HB1 LEU 46 -13.834 22.126 -8.847 383 HG LEU 46 HG LEU 46 -11.533 23.919 -7.970 384 HD11 LEU 46 HD11 LEU 46 -14.487 24.518 -8.327 385 HD12 LEU 46 HD12 LEU 46 -13.173 25.060 -9.376 386 HD13 LEU 46 HD13 LEU 46 -13.265 25.639 -7.715 387 HD21 LEU 46 HD21 LEU 46 -12.149 22.465 -6.105 388 HD22 LEU 46 HD22 LEU 46 -13.855 22.866 -6.311 389 HD23 LEU 46 HD23 LEU 46 -12.709 24.108 -5.800 390 H PHE 47 HN PHE 47 -11.495 20.745 -10.915 391 HA PHE 47 HA PHE 47 -13.436 18.932 -11.746 392 HB2 PHE 47 HB2 PHE 47 -12.337 20.074 -13.498 393 HB3 PHE 47 HB1 PHE 47 -10.734 19.730 -12.858 394 HD1 PHE 47 HD1 PHE 47 -13.718 17.919 -14.304 395 HD2 PHE 47 HD2 PHE 47 -9.459 18.047 -13.892 396 HE1 PHE 47 HE1 PHE 47 -13.509 15.951 -15.770 397 HE2 PHE 47 HE2 PHE 47 -9.256 16.096 -15.365 398 HZ PHE 47 HZ PHE 47 -11.285 15.038 -16.302 399 H LEU 48 HN LEU 48 -10.105 18.286 -10.635 400 HA LEU 48 HA LEU 48 -10.079 15.513 -11.134 401 HB2 LEU 48 HB2 LEU 48 -8.410 17.153 -9.212 402 HB3 LEU 48 HB1 LEU 48 -8.105 15.458 -9.570 403 HG LEU 48 HG LEU 48 -7.873 17.789 -11.514 404 HD11 LEU 48 HD11 LEU 48 -6.051 17.662 -9.895 405 HD12 LEU 48 HD12 LEU 48 -5.484 17.265 -11.514 406 HD13 LEU 48 HD13 LEU 48 -5.751 15.977 -10.334 407 HD21 LEU 48 HD21 LEU 48 -7.036 16.158 -13.165 408 HD22 LEU 48 HD22 LEU 48 -8.712 15.839 -12.731 409 HD23 LEU 48 HD23 LEU 48 -7.424 14.833 -12.064 410 H VAL 49 HN VAL 49 -11.008 17.382 -8.259 411 HA VAL 49 HA VAL 49 -11.284 15.163 -6.505 412 HB VAL 49 HB VAL 49 -12.671 17.876 -6.342 413 HG11 VAL 49 HG11 VAL 49 -13.042 17.347 -3.939 414 HG12 VAL 49 HG12 VAL 49 -12.377 15.729 -4.194 415 HG13 VAL 49 HG13 VAL 49 -13.881 16.204 -4.992 416 HG21 VAL 49 HG21 VAL 49 -10.141 16.888 -4.957 417 HG22 VAL 49 HG22 VAL 49 -10.911 18.457 -4.692 418 HG23 VAL 49 HG23 VAL 49 -10.210 18.069 -6.264 419 H ASP 50 HN ASP 50 -13.650 16.918 -8.542 420 HA ASP 50 HA ASP 50 -15.880 15.228 -7.941 421 HB2 ASP 50 HB2 ASP 50 -15.324 17.288 -10.097 422 HB3 ASP 50 HB1 ASP 50 -16.816 16.358 -10.109 423 H ALA 51 HN ALA 51 -13.286 14.973 -10.258 424 HA ALA 51 HA ALA 51 -14.518 12.836 -11.815 425 HB1 ALA 51 HB1 ALA 51 -13.050 14.463 -12.945 426 HB2 ALA 51 HB2 ALA 51 -12.384 12.831 -13.074 427 HB3 ALA 51 HB3 ALA 51 -11.704 13.977 -11.913 428 H LYS 52 HN LYS 52 -13.218 12.990 -8.806 429 HA LYS 52 HA LYS 52 -12.607 11.536 -7.221 430 HB2 LYS 52 HB2 LYS 52 -13.406 9.336 -9.169 431 HB3 LYS 52 HB1 LYS 52 -13.225 9.160 -7.424 432 HG2 LYS 52 HG2 LYS 52 -15.344 10.775 -8.898 433 HG3 LYS 52 HG1 LYS 52 -15.588 9.284 -7.987 434 HD2 LYS 52 HD2 LYS 52 -14.759 11.978 -6.808 435 HD3 LYS 52 HD1 LYS 52 -16.383 11.286 -6.752 436 HE2 LYS 52 HE2 LYS 52 -15.560 9.427 -5.363 437 HE3 LYS 52 HE1 LYS 52 -13.916 10.055 -5.472 438 HZ1 LYS 52 HZ1 LYS 52 -14.637 12.042 -4.306 439 HZ2 LYS 52 HZ2 LYS 52 -14.943 10.651 -3.390 440 HZ3 LYS 52 HZ3 LYS 52 -16.209 11.427 -4.195 441 H GLN 53 HN GLN 53 -10.737 12.397 -9.317 442 HA GLN 53 HA GLN 53 -8.654 10.458 -9.602 443 HB2 GLN 53 HB2 GLN 53 -8.612 13.489 -9.968 444 HB3 GLN 53 HB1 GLN 53 -7.366 12.375 -10.517 445 HG2 GLN 53 HG2 GLN 53 -10.225 12.432 -11.515 446 HG3 GLN 53 HG1 GLN 53 -8.842 13.141 -12.344 447 HE21 GLN 53 HE21 GLN 53 -10.737 11.005 -13.161 448 HE22 GLN 53 HE22 GLN 53 -9.751 9.654 -13.593 449 H ILE 54 HN ILE 54 -9.122 13.405 -7.620 450 HA ILE 54 HA ILE 54 -7.329 12.300 -5.535 451 HB ILE 54 HB ILE 54 -6.648 14.629 -4.892 452 HG12 ILE 54 HG12 ILE 54 -7.976 15.452 -7.521 453 HG13 ILE 54 HG11 ILE 54 -8.554 15.869 -5.914 454 HG21 ILE 54 HG21 ILE 54 -5.139 13.247 -6.232 455 HG22 ILE 54 HG22 ILE 54 -4.973 14.952 -6.652 456 HG23 ILE 54 HG23 ILE 54 -5.866 13.865 -7.718 457 HD11 ILE 54 HD11 ILE 54 -5.976 16.793 -7.179 458 HD12 ILE 54 HD12 ILE 54 -6.525 17.204 -5.551 459 HD13 ILE 54 HD13 ILE 54 -7.446 17.742 -6.956 460 H ALA 55 HN ALA 55 -7.892 12.801 -3.402 461 HA ALA 55 HA ALA 55 -10.621 13.472 -2.776 462 HB1 ALA 55 HB1 ALA 55 -9.852 13.249 -0.421 463 HB2 ALA 55 HB2 ALA 55 -8.179 13.131 -0.978 464 HB3 ALA 55 HB3 ALA 55 -9.343 11.873 -1.400 465 HA PRO 56 HA PRO 56 -9.954 17.927 -2.409 466 HB2 PRO 56 HB2 PRO 56 -11.829 18.721 -0.623 467 HB3 PRO 56 HB1 PRO 56 -12.279 18.032 -2.190 468 HG2 PRO 56 HG2 PRO 56 -12.164 16.675 0.503 469 HG3 PRO 56 HG1 PRO 56 -13.447 16.608 -0.724 470 HD2 PRO 56 HD2 PRO 56 -11.535 14.657 -0.453 471 HD3 PRO 56 HD1 PRO 56 -12.316 15.033 -2.005 472 H LEU 57 HN LEU 57 -9.313 19.650 -1.017 473 HA LEU 57 HA LEU 57 -7.912 19.026 1.469 474 HB2 LEU 57 HB2 LEU 57 -8.107 21.503 -0.297 475 HB3 LEU 57 HB1 LEU 57 -7.238 21.493 1.232 476 HG LEU 57 HG LEU 57 -6.509 19.625 -1.060 477 HD11 LEU 57 HD11 LEU 57 -6.306 21.907 -1.905 478 HD12 LEU 57 HD12 LEU 57 -4.711 21.201 -1.663 479 HD13 LEU 57 HD13 LEU 57 -5.342 22.371 -0.502 480 HD21 LEU 57 HD21 LEU 57 -5.680 18.956 1.176 481 HD22 LEU 57 HD22 LEU 57 -4.921 20.537 1.380 482 HD23 LEU 57 HD23 LEU 57 -4.350 19.437 0.123 483 HA PRO 58 HA PRO 58 -11.370 20.932 3.819 484 HB2 PRO 58 HB2 PRO 58 -10.070 21.511 6.146 485 HB3 PRO 58 HB1 PRO 58 -10.508 19.855 5.701 486 HG2 PRO 58 HG2 PRO 58 -7.850 21.258 5.388 487 HG3 PRO 58 HG1 PRO 58 -8.186 19.641 6.049 488 HD2 PRO 58 HD2 PRO 58 -7.346 19.996 3.486 489 HD3 PRO 58 HD1 PRO 58 -8.471 18.694 3.933 490 H ASP 59 HN ASP 59 -11.782 23.106 4.904 491 HA ASP 59 HA ASP 59 -11.100 25.196 3.146 492 HB2 ASP 59 HB2 ASP 59 -13.183 25.130 4.537 493 HB3 ASP 59 HB1 ASP 59 -12.221 25.453 5.972 494 H SER 60 HN SER 60 -9.710 24.248 6.241 495 HA SER 60 HA SER 60 -8.053 26.509 6.713 496 HB2 SER 60 HB2 SER 60 -7.735 23.640 7.694 497 HB3 SER 60 HB1 SER 60 -6.898 25.043 8.356 498 HG SER 60 HG SER 60 -9.548 25.513 8.290 499 H LYS 61 HN LYS 61 -7.599 23.575 4.774 500 HA LYS 61 HA LYS 61 -4.810 24.362 4.120 501 HB2 LYS 61 HB2 LYS 61 -6.156 21.627 3.920 502 HB3 LYS 61 HB1 LYS 61 -4.527 21.977 3.333 503 HG2 LYS 61 HG2 LYS 61 -5.486 22.147 6.213 504 HG3 LYS 61 HG1 LYS 61 -4.421 20.909 5.531 505 HD2 LYS 61 HD2 LYS 61 -2.659 22.557 5.159 506 HD3 LYS 61 HD1 LYS 61 -3.730 23.879 5.623 507 HE2 LYS 61 HE2 LYS 61 -3.840 22.962 7.913 508 HE3 LYS 61 HE1 LYS 61 -2.710 21.688 7.442 509 HZ1 LYS 61 HZ1 LYS 61 -1.580 23.504 8.550 510 HZ2 LYS 61 HZ2 LYS 61 -2.154 24.606 7.401 511 HZ3 LYS 61 HZ3 LYS 61 -1.067 23.395 6.942 512 H LEU 62 HN LEU 62 -7.613 25.099 2.972 513 HA LEU 62 HA LEU 62 -7.189 24.542 0.134 514 HB2 LEU 62 HB2 LEU 62 -9.496 24.938 1.500 515 HB3 LEU 62 HB1 LEU 62 -9.182 26.613 1.101 516 HG LEU 62 HG LEU 62 -10.740 25.574 -0.501 517 HD11 LEU 62 HD11 LEU 62 -9.344 27.379 -1.364 518 HD12 LEU 62 HD12 LEU 62 -9.680 26.185 -2.617 519 HD13 LEU 62 HD13 LEU 62 -8.098 26.218 -1.835 520 HD21 LEU 62 HD21 LEU 62 -9.961 23.260 -0.317 521 HD22 LEU 62 HD22 LEU 62 -8.484 23.670 -1.197 522 HD23 LEU 62 HD23 LEU 62 -10.054 23.772 -2.000 523 H ASP 63 HN ASP 63 -5.120 25.353 0.047 524 HA ASP 63 HA ASP 63 -4.785 28.278 -0.151 525 HB2 ASP 63 HB2 ASP 63 -3.772 27.734 1.972 526 HB3 ASP 63 HB1 ASP 63 -3.038 26.272 1.334 527 H GLY 64 HN GLY 64 -3.226 28.897 -1.746 528 HA2 GLY 64 HA2 GLY 64 -3.490 27.590 -4.177 529 HA3 GLY 64 HA1 GLY 64 -2.307 28.838 -3.835 530 H ALA 65 HN ALA 65 -0.686 27.500 -1.965 531 HA ALA 65 HA ALA 65 1.037 25.975 -3.682 532 HB1 ALA 65 HB1 ALA 65 2.439 25.702 -1.668 533 HB2 ALA 65 HB2 ALA 65 1.134 26.346 -0.666 534 HB3 ALA 65 HB3 ALA 65 1.914 27.376 -1.865 535 H ASN 66 HN ASN 66 -1.258 25.145 -1.109 536 HA ASN 66 HA ASN 66 -0.734 22.360 -0.916 537 HB2 ASN 66 HB2 ASN 66 -3.192 24.014 -0.211 538 HB3 ASN 66 HB1 ASN 66 -3.126 22.274 0.049 539 HD21 ASN 66 HD21 ASN 66 -1.574 25.334 0.947 540 HD22 ASN 66 HD22 ASN 66 -1.010 24.777 2.482 541 H ILE 67 HN ILE 67 -3.054 24.221 -2.876 542 HA ILE 67 HA ILE 67 -4.363 22.179 -4.244 543 HB ILE 67 HB ILE 67 -3.557 24.904 -5.379 544 HG12 ILE 67 HG12 ILE 67 -4.897 25.126 -3.271 545 HG13 ILE 67 HG11 ILE 67 -5.754 25.755 -4.667 546 HG21 ILE 67 HG21 ILE 67 -4.244 23.381 -7.152 547 HG22 ILE 67 HG22 ILE 67 -5.479 24.618 -6.925 548 HG23 ILE 67 HG23 ILE 67 -5.729 22.993 -6.285 549 HD11 ILE 67 HD11 ILE 67 -7.232 24.539 -3.192 550 HD12 ILE 67 HD12 ILE 67 -6.238 23.091 -3.347 551 HD13 ILE 67 HD13 ILE 67 -7.103 23.721 -4.753 552 H LYS 68 HN LYS 68 -1.367 23.923 -5.133 553 HA LYS 68 HA LYS 68 -0.733 22.659 -7.549 554 HB2 LYS 68 HB2 LYS 68 1.112 23.887 -5.452 555 HB3 LYS 68 HB1 LYS 68 1.634 23.430 -7.071 556 HG2 LYS 68 HG2 LYS 68 0.030 25.061 -8.032 557 HG3 LYS 68 HG1 LYS 68 -0.443 25.534 -6.398 558 HD2 LYS 68 HD2 LYS 68 1.901 26.267 -5.965 559 HD3 LYS 68 HD1 LYS 68 2.324 25.842 -7.627 560 HE2 LYS 68 HE2 LYS 68 0.627 27.520 -8.419 561 HE3 LYS 68 HE1 LYS 68 0.365 27.993 -6.737 562 HZ1 LYS 68 HZ1 LYS 68 2.863 28.258 -8.318 563 HZ2 LYS 68 HZ2 LYS 68 2.783 28.519 -6.649 564 HZ3 LYS 68 HZ3 LYS 68 1.900 29.505 -7.701 565 H HIS 69 HN HIS 69 0.010 21.797 -4.226 566 HA HIS 69 HA HIS 69 1.806 19.659 -4.751 567 HB2 HIS 69 HB2 HIS 69 1.687 20.964 -2.608 568 HB3 HIS 69 HB1 HIS 69 0.155 20.179 -2.242 569 HD1 HIS 69 HD1 HIS 69 3.692 19.002 -3.120 570 HD2 HIS 69 HD2 HIS 69 0.559 18.111 -0.551 571 HE1 HIS 69 HE1 HIS 69 4.514 17.106 -1.695 572 HE2 HIS 69 HE2 HIS 69 2.679 16.748 -0.006 573 H ARG 70 HN ARG 70 -1.723 19.808 -4.327 574 HA ARG 70 HA ARG 70 -2.246 16.995 -4.247 575 HB2 ARG 70 HB2 ARG 70 -4.083 19.215 -5.260 576 HB3 ARG 70 HB1 ARG 70 -4.585 17.570 -4.869 577 HG2 ARG 70 HG2 ARG 70 -3.499 19.617 -2.922 578 HG3 ARG 70 HG1 ARG 70 -5.190 19.151 -3.103 579 HD2 ARG 70 HD2 ARG 70 -3.048 17.134 -2.367 580 HD3 ARG 70 HD1 ARG 70 -3.848 18.129 -1.151 581 HE ARG 70 HE ARG 70 -5.702 16.701 -2.833 582 HH11 ARG 70 HH11 ARG 70 -3.655 16.373 0.019 583 HH12 ARG 70 HH12 ARG 70 -4.637 15.128 0.719 584 HH21 ARG 70 HH21 ARG 70 -6.955 15.049 -1.866 585 HH22 ARG 70 HH22 ARG 70 -6.479 14.385 -0.337 586 H LEU 71 HN LEU 71 -2.140 19.380 -6.857 587 HA LEU 71 HA LEU 71 -2.884 17.722 -9.022 588 HB2 LEU 71 HB2 LEU 71 -1.082 20.178 -9.072 589 HB3 LEU 71 HB1 LEU 71 -1.913 19.479 -10.450 590 HG LEU 71 HG LEU 71 -3.151 20.961 -8.113 591 HD11 LEU 71 HD11 LEU 71 -3.159 21.570 -11.080 592 HD12 LEU 71 HD12 LEU 71 -2.176 22.372 -9.851 593 HD13 LEU 71 HD13 LEU 71 -3.929 22.527 -9.807 594 HD21 LEU 71 HD21 LEU 71 -4.625 19.480 -10.314 595 HD22 LEU 71 HD22 LEU 71 -5.357 20.584 -9.146 596 HD23 LEU 71 HD23 LEU 71 -4.623 19.084 -8.592 597 H ALA 72 HN ALA 72 0.208 18.555 -7.593 598 HA ALA 72 HA ALA 72 1.976 17.418 -9.454 599 HB1 ALA 72 HB1 ALA 72 3.659 17.619 -7.682 600 HB2 ALA 72 HB2 ALA 72 2.387 17.874 -6.483 601 HB3 ALA 72 HB3 ALA 72 2.653 19.065 -7.757 602 H LEU 73 HN LEU 73 0.711 16.118 -6.372 603 HA LEU 73 HA LEU 73 2.015 13.587 -6.544 604 HB2 LEU 73 HB2 LEU 73 -0.392 14.463 -4.914 605 HB3 LEU 73 HB1 LEU 73 0.467 12.943 -4.682 606 HG LEU 73 HG LEU 73 1.714 15.701 -4.323 607 HD11 LEU 73 HD11 LEU 73 0.757 13.760 -2.205 608 HD12 LEU 73 HD12 LEU 73 0.018 15.307 -2.628 609 HD13 LEU 73 HD13 LEU 73 1.629 15.271 -1.916 610 HD21 LEU 73 HD21 LEU 73 2.846 12.953 -3.662 611 HD22 LEU 73 HD22 LEU 73 3.606 14.504 -3.293 612 HD23 LEU 73 HD23 LEU 73 3.380 14.017 -4.969 613 H TRP 74 HN TRP 74 -1.151 14.775 -7.574 614 HA TRP 74 HA TRP 74 -2.431 12.365 -8.204 615 HB2 TRP 74 HB2 TRP 74 -3.758 14.392 -8.317 616 HB3 TRP 74 HB1 TRP 74 -2.694 15.111 -9.519 617 HD1 TRP 74 HD1 TRP 74 -4.981 11.945 -9.288 618 HE1 TRP 74 HE1 TRP 74 -6.028 11.552 -11.602 619 HE3 TRP 74 HE3 TRP 74 -2.777 15.777 -11.848 620 HZ2 TRP 74 HZ2 TRP 74 -5.944 12.700 -14.157 621 HZ3 TRP 74 HZ3 TRP 74 -3.313 16.067 -14.232 622 HH2 TRP 74 HH2 TRP 74 -4.868 14.556 -15.361 623 H ILE 75 HN ILE 75 -0.701 14.564 -10.428 624 HA ILE 75 HA ILE 75 -0.786 12.791 -12.624 625 HB ILE 75 HB ILE 75 -0.557 15.280 -12.856 626 HG12 ILE 75 HG12 ILE 75 0.968 15.231 -14.827 627 HG13 ILE 75 HG11 ILE 75 1.615 13.681 -14.305 628 HG21 ILE 75 HG21 ILE 75 1.100 15.704 -11.116 629 HG22 ILE 75 HG22 ILE 75 1.663 16.333 -12.666 630 HG23 ILE 75 HG23 ILE 75 2.325 14.825 -12.033 631 HD11 ILE 75 HD11 ILE 75 -0.567 12.645 -14.677 632 HD12 ILE 75 HD12 ILE 75 0.019 13.453 -16.131 633 HD13 ILE 75 HD13 ILE 75 -1.235 14.210 -15.151 634 H HIS 76 HN HIS 76 1.512 13.257 -10.005 635 HA HIS 76 HA HIS 76 3.753 11.876 -10.974 636 HB2 HIS 76 HB2 HIS 76 3.485 13.227 -8.769 637 HB3 HIS 76 HB1 HIS 76 2.824 11.755 -8.075 638 HD1 HIS 76 HD1 HIS 76 4.624 10.900 -6.585 639 HD2 HIS 76 HD2 HIS 76 6.110 12.202 -10.246 640 HE1 HIS 76 HE1 HIS 76 7.096 10.502 -6.498 641 HE2 HIS 76 HE2 HIS 76 7.974 11.293 -8.721 642 H ALA 77 HN ALA 77 0.831 10.732 -9.351 643 HA ALA 77 HA ALA 77 1.537 7.911 -9.504 644 HB1 ALA 77 HB1 ALA 77 -0.654 7.553 -8.452 645 HB2 ALA 77 HB2 ALA 77 -1.049 9.261 -8.675 646 HB3 ALA 77 HB3 ALA 77 0.262 8.791 -7.593 647 H ALA 78 HN ALA 78 -0.169 10.217 -11.467 648 HA ALA 78 HA ALA 78 -1.758 8.297 -12.961 649 HB1 ALA 78 HB1 ALA 78 -2.561 10.238 -14.228 650 HB2 ALA 78 HB2 ALA 78 -1.342 11.266 -13.470 651 HB3 ALA 78 HB3 ALA 78 -2.633 10.566 -12.494 652 H LEU 79 HN LEU 79 1.409 9.677 -13.229 653 HA LEU 79 HA LEU 79 1.892 9.196 -16.013 654 HB2 LEU 79 HB2 LEU 79 3.785 9.500 -13.653 655 HB3 LEU 79 HB1 LEU 79 4.331 9.352 -15.316 656 HG LEU 79 HG LEU 79 2.631 11.631 -14.245 657 HD11 LEU 79 HD11 LEU 79 4.867 11.678 -13.272 658 HD12 LEU 79 HD12 LEU 79 4.634 13.016 -14.392 659 HD13 LEU 79 HD13 LEU 79 5.589 11.615 -14.883 660 HD21 LEU 79 HD21 LEU 79 3.077 12.750 -16.389 661 HD22 LEU 79 HD22 LEU 79 2.193 11.243 -16.619 662 HD23 LEU 79 HD23 LEU 79 3.922 11.313 -16.974 663 HA PRO 80 HA PRO 80 1.573 4.700 -15.465 664 HB2 PRO 80 HB2 PRO 80 2.860 4.678 -18.195 665 HB3 PRO 80 HB1 PRO 80 1.400 3.846 -17.631 666 HG2 PRO 80 HG2 PRO 80 1.163 6.015 -19.142 667 HG3 PRO 80 HG1 PRO 80 0.092 5.797 -17.738 668 HD2 PRO 80 HD2 PRO 80 2.543 7.548 -17.999 669 HD3 PRO 80 HD1 PRO 80 0.970 7.916 -17.252 670 H ASP 81 HN ASP 81 4.605 6.109 -16.642 671 HA ASP 81 HA ASP 81 6.171 3.894 -15.426 672 HB2 ASP 81 HB2 ASP 81 6.927 5.762 -17.720 673 HB3 ASP 81 HB1 ASP 81 8.009 4.572 -17.004 674 H ASN 82 HN ASN 82 5.130 6.754 -14.508 675 HA ASN 82 HA ASN 82 5.760 8.582 -13.356 676 HB2 ASN 82 HB2 ASN 82 6.674 6.687 -11.821 677 HB3 ASN 82 HB1 ASN 82 8.265 7.108 -12.437 678 HD21 ASN 82 HD21 ASN 82 5.605 8.077 -10.428 679 HD22 ASN 82 HD22 ASN 82 6.406 9.382 -9.645 680 H ASP 83 HN ASP 83 6.055 9.445 -15.517 681 HA ASP 83 HA ASP 83 8.392 9.516 -17.020 682 HB2 ASP 83 HB2 ASP 83 6.074 11.502 -16.900 683 HB3 ASP 83 HB1 ASP 83 7.306 11.504 -18.164 684 HA PRO 84 HA PRO 84 11.043 12.476 -14.937 685 HB2 PRO 84 HB2 PRO 84 12.591 13.382 -16.994 686 HB3 PRO 84 HB1 PRO 84 12.701 11.721 -16.391 687 HG2 PRO 84 HG2 PRO 84 11.159 12.764 -18.776 688 HG3 PRO 84 HG1 PRO 84 12.260 11.368 -18.687 689 HD2 PRO 84 HD2 PRO 84 9.576 11.067 -18.537 690 HD3 PRO 84 HD1 PRO 84 10.676 10.024 -17.610 691 H LEU 85 HN LEU 85 8.762 13.486 -17.292 692 HA LEU 85 HA LEU 85 7.605 15.372 -17.735 693 HB2 LEU 85 HB2 LEU 85 8.585 16.371 -15.034 694 HB3 LEU 85 HB1 LEU 85 7.213 16.984 -15.927 695 HG LEU 85 HG LEU 85 6.741 14.170 -15.548 696 HD11 LEU 85 HD11 LEU 85 6.756 13.921 -13.111 697 HD12 LEU 85 HD12 LEU 85 7.562 15.484 -12.952 698 HD13 LEU 85 HD13 LEU 85 8.383 14.147 -13.759 699 HD21 LEU 85 HD21 LEU 85 4.988 15.860 -15.749 700 HD22 LEU 85 HD22 LEU 85 5.435 16.544 -14.184 701 HD23 LEU 85 HD23 LEU 85 4.781 14.906 -14.282 702 H LYS 86 HN LYS 86 10.371 15.208 -18.583 703 HA LYS 86 HA LYS 86 11.481 17.891 -18.527 704 HB2 LYS 86 HB2 LYS 86 12.381 15.295 -19.851 705 HB3 LYS 86 HB1 LYS 86 13.290 16.795 -19.910 706 HG2 LYS 86 HG2 LYS 86 12.603 15.275 -17.371 707 HG3 LYS 86 HG1 LYS 86 14.151 15.184 -18.215 708 HD2 LYS 86 HD2 LYS 86 12.955 17.664 -16.899 709 HD3 LYS 86 HD1 LYS 86 14.290 16.690 -16.272 710 HE2 LYS 86 HE2 LYS 86 15.610 17.290 -18.339 711 HE3 LYS 86 HE1 LYS 86 14.293 18.368 -18.809 712 HZ1 LYS 86 HZ1 LYS 86 14.648 19.496 -16.630 713 HZ2 LYS 86 HZ2 LYS 86 15.902 19.671 -17.743 714 HZ3 LYS 86 HZ3 LYS 86 16.064 18.592 -16.455 Start of MODEL 4 1 H MET 1 HT1 MET 1 2.597 5.705 -12.331 2 HA MET 1 HA MET 1 1.752 6.173 -10.145 3 HB2 MET 1 HB2 MET 1 0.832 4.299 -11.650 4 HB3 MET 1 HB1 MET 1 1.702 3.163 -10.632 5 HG2 MET 1 HG2 MET 1 -0.423 5.066 -9.611 6 HG3 MET 1 HG1 MET 1 -0.742 3.406 -10.105 7 HE1 MET 1 HE1 MET 1 1.128 1.328 -7.365 8 HE2 MET 1 HE2 MET 1 1.714 1.751 -8.974 9 HE3 MET 1 HE3 MET 1 0.032 1.267 -8.747 10 H SER 2 HN SER 2 3.494 6.867 -8.824 11 HA SER 2 HA SER 2 4.001 5.156 -6.556 12 HB2 SER 2 HB2 SER 2 6.404 6.198 -8.142 13 HB3 SER 2 HB1 SER 2 6.486 5.418 -6.561 14 HG SER 2 HG SER 2 5.257 3.664 -7.879 15 H LYS 3 HN LYS 3 4.837 6.353 -4.768 16 HA LYS 3 HA LYS 3 4.792 9.307 -4.966 17 HB2 LYS 3 HB2 LYS 3 3.648 7.567 -2.728 18 HB3 LYS 3 HB1 LYS 3 3.789 9.322 -2.651 19 HG2 LYS 3 HG2 LYS 3 2.205 9.546 -4.523 20 HG3 LYS 3 HG1 LYS 3 2.100 7.787 -4.658 21 HD2 LYS 3 HD2 LYS 3 1.145 7.688 -2.366 22 HD3 LYS 3 HD1 LYS 3 1.225 9.451 -2.264 23 HE2 LYS 3 HE2 LYS 3 -0.370 9.636 -4.131 24 HE3 LYS 3 HE1 LYS 3 -0.418 7.877 -4.282 25 HZ1 LYS 3 HZ1 LYS 3 -1.324 7.755 -2.046 26 HZ2 LYS 3 HZ2 LYS 3 -2.307 8.699 -3.047 27 HZ3 LYS 3 HZ3 LYS 3 -1.291 9.441 -1.917 28 H THR 4 HN THR 4 6.149 10.382 -3.461 29 HA THR 4 HA THR 4 8.074 10.844 -2.379 30 HB THR 4 HB THR 4 7.999 8.054 -1.136 31 HG1 THR 4 HG1 THR 4 5.988 9.737 -1.133 32 HG21 THR 4 HG21 THR 4 9.943 9.479 -0.514 33 HG22 THR 4 HG22 THR 4 8.873 9.194 0.857 34 HG23 THR 4 HG23 THR 4 8.834 10.746 0.022 35 H ALA 5 HN ALA 5 8.117 9.585 -5.002 36 HA ALA 5 HA ALA 5 10.870 8.495 -5.119 37 HB1 ALA 5 HB1 ALA 5 9.122 7.118 -6.193 38 HB2 ALA 5 HB2 ALA 5 10.241 7.752 -7.398 39 HB3 ALA 5 HB3 ALA 5 8.647 8.483 -7.210 40 H LYS 6 HN LYS 6 11.026 9.461 -8.016 41 HA LYS 6 HA LYS 6 12.224 12.003 -7.535 42 HB2 LYS 6 HB2 LYS 6 11.763 10.377 -10.041 43 HB3 LYS 6 HB1 LYS 6 12.301 12.042 -10.175 44 HG2 LYS 6 HG2 LYS 6 14.254 10.690 -10.306 45 HG3 LYS 6 HG1 LYS 6 14.272 11.458 -8.721 46 HD2 LYS 6 HD2 LYS 6 14.971 9.181 -8.428 47 HD3 LYS 6 HD1 LYS 6 13.349 9.321 -7.747 48 HE2 LYS 6 HE2 LYS 6 12.413 8.319 -9.822 49 HE3 LYS 6 HE1 LYS 6 14.046 8.163 -10.473 50 HZ1 LYS 6 HZ1 LYS 6 14.589 6.676 -8.662 51 HZ2 LYS 6 HZ2 LYS 6 13.251 6.096 -9.517 52 HZ3 LYS 6 HZ3 LYS 6 13.036 6.841 -8.013 53 H LEU 7 HN LEU 7 10.639 13.264 -6.653 54 HA LEU 7 HA LEU 7 9.012 14.741 -8.625 55 HB2 LEU 7 HB2 LEU 7 7.547 13.332 -7.116 56 HB3 LEU 7 HB1 LEU 7 8.191 14.179 -5.728 57 HG LEU 7 HG LEU 7 6.696 15.698 -7.907 58 HD11 LEU 7 HD11 LEU 7 4.603 15.427 -6.647 59 HD12 LEU 7 HD12 LEU 7 5.405 14.316 -5.532 60 HD13 LEU 7 HD13 LEU 7 5.204 13.874 -7.229 61 HD21 LEU 7 HD21 LEU 7 7.889 17.080 -6.241 62 HD22 LEU 7 HD22 LEU 7 7.015 16.272 -4.937 63 HD23 LEU 7 HD23 LEU 7 6.140 17.271 -6.100 64 H ASN 8 HN ASN 8 10.685 16.185 -8.899 65 HA ASN 8 HA ASN 8 12.087 17.316 -6.592 66 HB2 ASN 8 HB2 ASN 8 13.411 16.539 -8.554 67 HB3 ASN 8 HB1 ASN 8 12.606 17.727 -9.569 68 HD21 ASN 8 HD21 ASN 8 14.472 18.868 -10.097 69 HD22 ASN 8 HD22 ASN 8 15.407 19.758 -8.953 70 H ASN 9 HN ASN 9 11.040 18.877 -9.624 71 HA ASN 9 HA ASN 9 10.233 21.290 -8.164 72 HB2 ASN 9 HB2 ASN 9 10.258 20.813 -11.175 73 HB3 ASN 9 HB1 ASN 9 10.133 22.365 -10.355 74 HD21 ASN 9 HD21 ASN 9 12.051 23.257 -9.372 75 HD22 ASN 9 HD22 ASN 9 13.616 22.680 -9.815 76 H GLU 10 HN GLU 10 8.368 20.696 -7.137 77 HA GLU 10 HA GLU 10 6.257 19.123 -7.976 78 HB2 GLU 10 HB2 GLU 10 6.540 19.987 -5.660 79 HB3 GLU 10 HB1 GLU 10 6.139 21.607 -6.221 80 HG2 GLU 10 HG2 GLU 10 3.875 21.001 -6.661 81 HG3 GLU 10 HG1 GLU 10 4.228 19.294 -6.443 82 H GLU 11 HN GLU 11 6.839 22.534 -8.529 83 HA GLU 11 HA GLU 11 4.483 23.490 -9.573 84 HB2 GLU 11 HB2 GLU 11 6.639 24.739 -9.027 85 HB3 GLU 11 HB1 GLU 11 7.254 24.225 -10.589 86 HG2 GLU 11 HG2 GLU 11 6.459 26.488 -10.774 87 HG3 GLU 11 HG1 GLU 11 5.389 25.435 -11.702 88 H LYS 12 HN LYS 12 7.030 21.697 -11.289 89 HA LYS 12 HA LYS 12 5.977 22.081 -13.922 90 HB2 LYS 12 HB2 LYS 12 7.937 19.983 -12.925 91 HB3 LYS 12 HB1 LYS 12 7.588 20.326 -14.619 92 HG2 LYS 12 HG2 LYS 12 8.389 22.735 -14.107 93 HG3 LYS 12 HG1 LYS 12 9.023 22.071 -12.601 94 HD2 LYS 12 HD2 LYS 12 10.802 22.143 -14.264 95 HD3 LYS 12 HD1 LYS 12 10.394 20.458 -13.918 96 HE2 LYS 12 HE2 LYS 12 9.017 20.376 -15.978 97 HE3 LYS 12 HE1 LYS 12 9.429 22.057 -16.321 98 HZ1 LYS 12 HZ1 LYS 12 10.771 20.519 -17.589 99 HZ2 LYS 12 HZ2 LYS 12 11.353 19.804 -16.171 100 HZ3 LYS 12 HZ3 LYS 12 11.734 21.414 -16.526 101 H LEU 13 HN LEU 13 5.696 19.496 -11.509 102 HA LEU 13 HA LEU 13 4.180 17.678 -13.076 103 HB2 LEU 13 HB2 LEU 13 4.407 18.028 -10.071 104 HB3 LEU 13 HB1 LEU 13 3.410 16.785 -10.805 105 HG LEU 13 HG LEU 13 5.676 16.149 -12.057 106 HD11 LEU 13 HD11 LEU 13 7.672 16.415 -10.676 107 HD12 LEU 13 HD12 LEU 13 6.770 17.431 -9.549 108 HD13 LEU 13 HD13 LEU 13 7.037 17.973 -11.208 109 HD21 LEU 13 HD21 LEU 13 5.099 15.343 -9.202 110 HD22 LEU 13 HD22 LEU 13 6.154 14.477 -10.324 111 HD23 LEU 13 HD23 LEU 13 4.430 14.614 -10.663 112 H VAL 14 HN VAL 14 3.321 20.386 -11.013 113 HA VAL 14 HA VAL 14 0.518 20.225 -11.076 114 HB VAL 14 HB VAL 14 2.346 22.659 -10.921 115 HG11 VAL 14 HG11 VAL 14 0.423 23.895 -9.940 116 HG12 VAL 14 HG12 VAL 14 -0.629 22.516 -10.273 117 HG13 VAL 14 HG13 VAL 14 0.099 23.411 -11.610 118 HG21 VAL 14 HG21 VAL 14 2.017 22.497 -8.511 119 HG22 VAL 14 HG22 VAL 14 2.661 20.984 -9.143 120 HG23 VAL 14 HG23 VAL 14 0.953 21.105 -8.722 121 H LYS 15 HN LYS 15 2.813 21.842 -13.291 122 HA LYS 15 HA LYS 15 0.946 22.943 -15.102 123 HB2 LYS 15 HB2 LYS 15 3.809 22.049 -15.642 124 HB3 LYS 15 HB1 LYS 15 2.853 23.095 -16.697 125 HG2 LYS 15 HG2 LYS 15 2.741 24.796 -14.935 126 HG3 LYS 15 HG1 LYS 15 3.647 23.744 -13.847 127 HD2 LYS 15 HD2 LYS 15 5.570 23.831 -15.482 128 HD3 LYS 15 HD1 LYS 15 4.651 25.021 -16.413 129 HE2 LYS 15 HE2 LYS 15 5.691 25.314 -13.575 130 HE3 LYS 15 HE1 LYS 15 6.210 26.211 -15.004 131 HZ1 LYS 15 HZ1 LYS 15 3.595 26.396 -13.605 132 HZ2 LYS 15 HZ2 LYS 15 3.887 27.088 -15.119 133 HZ3 LYS 15 HZ3 LYS 15 4.769 27.603 -13.775 134 H LYS 16 HN LYS 16 2.535 19.791 -14.998 135 HA LYS 16 HA LYS 16 1.546 18.736 -17.445 136 HB2 LYS 16 HB2 LYS 16 3.481 17.808 -16.164 137 HB3 LYS 16 HB1 LYS 16 2.376 17.252 -14.921 138 HG2 LYS 16 HG2 LYS 16 2.976 15.372 -16.279 139 HG3 LYS 16 HG1 LYS 16 1.287 15.761 -16.615 140 HD2 LYS 16 HD2 LYS 16 1.956 16.892 -18.702 141 HD3 LYS 16 HD1 LYS 16 3.651 16.556 -18.350 142 HE2 LYS 16 HE2 LYS 16 3.078 14.087 -18.404 143 HE3 LYS 16 HE1 LYS 16 1.469 14.540 -18.973 144 HZ1 LYS 16 HZ1 LYS 16 2.554 15.646 -20.864 145 HZ2 LYS 16 HZ2 LYS 16 2.858 13.986 -20.820 146 HZ3 LYS 16 HZ3 LYS 16 4.052 15.075 -20.328 147 H ALA 17 HN ALA 17 0.296 18.847 -14.160 148 HA ALA 17 HA ALA 17 -2.019 17.208 -14.604 149 HB1 ALA 17 HB1 ALA 17 -1.458 19.207 -12.387 150 HB2 ALA 17 HB2 ALA 17 -1.070 17.488 -12.351 151 HB3 ALA 17 HB3 ALA 17 -2.756 18.003 -12.393 152 H LEU 18 HN LEU 18 -1.226 20.599 -15.091 153 HA LEU 18 HA LEU 18 -3.924 21.496 -15.514 154 HB2 LEU 18 HB2 LEU 18 -1.427 22.807 -16.648 155 HB3 LEU 18 HB1 LEU 18 -3.009 23.540 -16.427 156 HG LEU 18 HG LEU 18 -1.003 22.807 -14.278 157 HD11 LEU 18 HD11 LEU 18 -0.541 24.915 -15.417 158 HD12 LEU 18 HD12 LEU 18 -0.986 25.171 -13.732 159 HD13 LEU 18 HD13 LEU 18 -2.157 25.505 -15.016 160 HD21 LEU 18 HD21 LEU 18 -3.196 22.188 -13.443 161 HD22 LEU 18 HD22 LEU 18 -3.838 23.782 -13.853 162 HD23 LEU 18 HD23 LEU 18 -2.598 23.617 -12.606 163 H GLU 19 HN GLU 19 -1.352 20.172 -17.524 164 HA GLU 19 HA GLU 19 -2.648 20.461 -20.033 165 HB2 GLU 19 HB2 GLU 19 -0.540 18.443 -19.171 166 HB3 GLU 19 HB1 GLU 19 -1.017 18.752 -20.840 167 HG2 GLU 19 HG2 GLU 19 -0.182 21.073 -20.644 168 HG3 GLU 19 HG1 GLU 19 0.287 20.761 -18.974 169 H ILE 20 HN ILE 20 -2.324 17.582 -17.919 170 HA ILE 20 HA ILE 20 -4.049 15.945 -19.508 171 HB ILE 20 HB ILE 20 -3.147 15.464 -16.637 172 HG12 ILE 20 HG12 ILE 20 -1.165 15.768 -18.067 173 HG13 ILE 20 HG11 ILE 20 -1.304 14.080 -17.607 174 HG21 ILE 20 HG21 ILE 20 -5.030 14.028 -17.262 175 HG22 ILE 20 HG22 ILE 20 -3.559 13.064 -17.120 176 HG23 ILE 20 HG23 ILE 20 -4.178 13.501 -18.715 177 HD11 ILE 20 HD11 ILE 20 -0.610 14.310 -19.904 178 HD12 ILE 20 HD12 ILE 20 -2.046 15.259 -20.282 179 HD13 ILE 20 HD13 ILE 20 -2.203 13.559 -19.825 180 H GLY 21 HN GLY 21 -4.468 17.460 -16.289 181 HA2 GLY 21 HA2 GLY 21 -7.175 16.715 -15.916 182 HA3 GLY 21 HA1 GLY 21 -6.327 17.987 -15.047 183 H GLY 22 HN GLY 22 -5.643 19.554 -17.388 184 HA2 GLY 22 HA2 GLY 22 -8.025 21.107 -17.673 185 HA3 GLY 22 HA1 GLY 22 -6.496 21.375 -18.493 186 H LYS 23 HN LYS 23 -6.300 18.823 -19.842 187 HA LYS 23 HA LYS 23 -8.002 19.389 -22.108 188 HB2 LYS 23 HB2 LYS 23 -6.888 17.636 -23.310 189 HB3 LYS 23 HB1 LYS 23 -5.658 18.498 -22.396 190 HG2 LYS 23 HG2 LYS 23 -5.431 16.713 -20.828 191 HG3 LYS 23 HG1 LYS 23 -6.880 15.906 -21.422 192 HD2 LYS 23 HD2 LYS 23 -5.790 15.403 -23.537 193 HD3 LYS 23 HD1 LYS 23 -4.344 16.297 -23.046 194 HE2 LYS 23 HE2 LYS 23 -4.037 14.661 -21.174 195 HE3 LYS 23 HE1 LYS 23 -5.419 13.750 -21.785 196 HZ1 LYS 23 HZ1 LYS 23 -3.215 12.899 -22.492 197 HZ2 LYS 23 HZ2 LYS 23 -2.988 14.319 -23.381 198 HZ3 LYS 23 HZ3 LYS 23 -4.246 13.270 -23.776 199 H MET 24 HN MET 24 -7.920 16.972 -19.539 200 HA MET 24 HA MET 24 -9.990 15.300 -20.534 201 HB2 MET 24 HB2 MET 24 -8.870 15.710 -17.746 202 HB3 MET 24 HB1 MET 24 -10.209 14.604 -18.039 203 HG2 MET 24 HG2 MET 24 -8.650 13.450 -19.734 204 HG3 MET 24 HG1 MET 24 -7.355 14.392 -18.993 205 HE1 MET 24 HE1 MET 24 -9.035 14.255 -15.911 206 HE2 MET 24 HE2 MET 24 -7.287 14.430 -16.119 207 HE3 MET 24 HE3 MET 24 -7.935 13.088 -15.174 208 H ALA 25 HN ALA 25 -9.954 18.067 -18.277 209 HA ALA 25 HA ALA 25 -12.708 18.281 -17.773 210 HB1 ALA 25 HB1 ALA 25 -12.249 20.646 -17.203 211 HB2 ALA 25 HB2 ALA 25 -10.652 20.515 -17.950 212 HB3 ALA 25 HB3 ALA 25 -11.035 19.568 -16.511 213 H LYS 26 HN LYS 26 -10.693 19.569 -20.384 214 HA LYS 26 HA LYS 26 -12.570 21.246 -21.592 215 HB2 LYS 26 HB2 LYS 26 -9.949 20.883 -22.035 216 HB3 LYS 26 HB1 LYS 26 -10.530 19.850 -23.333 217 HG2 LYS 26 HG2 LYS 26 -11.900 21.840 -24.145 218 HG3 LYS 26 HG1 LYS 26 -11.047 22.817 -22.951 219 HD2 LYS 26 HD2 LYS 26 -9.836 23.199 -24.944 220 HD3 LYS 26 HD1 LYS 26 -8.866 21.989 -24.102 221 HE2 LYS 26 HE2 LYS 26 -9.045 21.408 -26.466 222 HE3 LYS 26 HE1 LYS 26 -9.913 20.215 -25.498 223 HZ1 LYS 26 HZ1 LYS 26 -11.984 21.336 -26.048 224 HZ2 LYS 26 HZ2 LYS 26 -11.171 20.859 -27.449 225 HZ3 LYS 26 HZ3 LYS 26 -11.156 22.483 -26.972 226 H MET 27 HN MET 27 -11.659 17.900 -22.358 227 HA MET 27 HA MET 27 -13.586 17.411 -24.362 228 HB2 MET 27 HB2 MET 27 -12.036 15.491 -22.578 229 HB3 MET 27 HB1 MET 27 -13.029 14.978 -23.941 230 HG2 MET 27 HG2 MET 27 -11.588 16.283 -25.473 231 HG3 MET 27 HG1 MET 27 -10.588 16.772 -24.108 232 HE1 MET 27 HE1 MET 27 -10.322 14.088 -22.371 233 HE2 MET 27 HE2 MET 27 -8.946 15.113 -22.784 234 HE3 MET 27 HE3 MET 27 -8.878 13.376 -23.089 235 H GLN 28 HN GLN 28 -13.695 17.012 -20.824 236 HA GLN 28 HA GLN 28 -16.210 15.671 -20.656 237 HB2 GLN 28 HB2 GLN 28 -14.604 17.296 -18.650 238 HB3 GLN 28 HB1 GLN 28 -16.184 16.644 -18.226 239 HG2 GLN 28 HG2 GLN 28 -13.833 14.960 -19.156 240 HG3 GLN 28 HG1 GLN 28 -14.235 15.238 -17.461 241 HE21 GLN 28 HE21 GLN 28 -14.124 12.720 -18.959 242 HE22 GLN 28 HE22 GLN 28 -15.684 11.997 -18.807 243 H GLY 29 HN GLY 29 -15.360 18.964 -21.270 244 HA2 GLY 29 HA2 GLY 29 -17.092 20.049 -22.680 245 HA3 GLY 29 HA1 GLY 29 -18.262 19.645 -21.428 246 H PHE 30 HN PHE 30 -14.955 20.935 -21.229 247 HA PHE 30 HA PHE 30 -15.962 23.429 -19.980 248 HB2 PHE 30 HB2 PHE 30 -13.821 21.625 -18.733 249 HB3 PHE 30 HB1 PHE 30 -14.275 23.219 -18.143 250 HD1 PHE 30 HD2 PHE 30 -16.403 23.555 -16.928 251 HD2 PHE 30 HD1 PHE 30 -15.261 19.678 -18.314 252 HE1 PHE 30 HE2 PHE 30 -18.114 22.523 -15.492 253 HE2 PHE 30 HE1 PHE 30 -16.971 18.660 -16.883 254 HZ PHE 30 HZ PHE 30 -18.402 20.080 -15.469 255 H ASP 31 HN ASP 31 -13.926 24.845 -19.506 256 HA ASP 31 HA ASP 31 -11.403 24.225 -20.598 257 HB2 ASP 31 HB2 ASP 31 -12.561 25.014 -22.730 258 HB3 ASP 31 HB1 ASP 31 -12.819 26.579 -21.963 259 H LEU 32 HN LEU 32 -10.184 25.008 -19.010 260 HA LEU 32 HA LEU 32 -11.451 26.451 -16.881 261 HB2 LEU 32 HB2 LEU 32 -8.576 25.495 -17.130 262 HB3 LEU 32 HB1 LEU 32 -9.413 25.903 -15.636 263 HG LEU 32 HG LEU 32 -10.103 23.558 -17.473 264 HD11 LEU 32 HD11 LEU 32 -8.016 23.182 -16.267 265 HD12 LEU 32 HD12 LEU 32 -9.290 22.110 -15.694 266 HD13 LEU 32 HD13 LEU 32 -8.822 23.516 -14.732 267 HD21 LEU 32 HD21 LEU 32 -11.688 22.843 -15.729 268 HD22 LEU 32 HD22 LEU 32 -12.128 24.418 -16.384 269 HD23 LEU 32 HD23 LEU 32 -11.349 24.309 -14.803 270 HA PRO 33 HA PRO 33 -10.754 30.656 -17.812 271 HB2 PRO 33 HB2 PRO 33 -9.655 31.007 -15.021 272 HB3 PRO 33 HB1 PRO 33 -10.922 31.926 -15.849 273 HG2 PRO 33 HG2 PRO 33 -11.586 30.103 -14.031 274 HG3 PRO 33 HG1 PRO 33 -12.526 30.240 -15.532 275 HD2 PRO 33 HD2 PRO 33 -10.473 28.177 -14.766 276 HD3 PRO 33 HD1 PRO 33 -11.984 27.983 -15.675 277 H GLN 34 HN GLN 34 -9.176 30.961 -19.277 278 HA GLN 34 HA GLN 34 -6.428 30.150 -18.711 279 HB2 GLN 34 HB2 GLN 34 -6.149 30.157 -21.148 280 HB3 GLN 34 HB1 GLN 34 -7.576 29.240 -20.681 281 HG2 GLN 34 HG2 GLN 34 -8.978 31.236 -21.280 282 HG3 GLN 34 HG1 GLN 34 -7.524 32.032 -21.872 283 HE21 GLN 34 HE21 GLN 34 -8.355 28.600 -22.294 284 HE22 GLN 34 HE22 GLN 34 -8.520 28.677 -24.009 285 H SER 35 HN SER 35 -8.105 33.100 -18.683 286 HA SER 35 HA SER 35 -6.092 34.714 -19.927 287 HB2 SER 35 HB2 SER 35 -7.532 36.668 -19.048 288 HB3 SER 35 HB1 SER 35 -8.274 35.577 -20.210 289 HG SER 35 HG SER 35 -9.580 36.147 -18.349 290 HA PRO 36 HA PRO 36 -4.815 36.002 -15.407 291 HB2 PRO 36 HB2 PRO 36 -5.627 33.711 -13.676 292 HB3 PRO 36 HB1 PRO 36 -5.793 35.445 -13.375 293 HG2 PRO 36 HG2 PRO 36 -7.946 33.927 -13.929 294 HG3 PRO 36 HG1 PRO 36 -7.805 35.587 -14.547 295 HD2 PRO 36 HD2 PRO 36 -7.237 32.982 -15.996 296 HD3 PRO 36 HD1 PRO 36 -8.183 34.385 -16.547 297 H GLN 37 HN GLN 37 -5.014 32.538 -15.998 298 HA GLN 37 HA GLN 37 -3.481 31.025 -16.662 299 HB2 GLN 37 HB2 GLN 37 -1.262 32.772 -15.547 300 HB3 GLN 37 HB1 GLN 37 -1.000 31.161 -16.203 301 HG2 GLN 37 HG2 GLN 37 -2.118 33.530 -17.744 302 HG3 GLN 37 HG1 GLN 37 -0.451 32.970 -17.815 303 HE21 GLN 37 HE21 GLN 37 -2.490 33.220 -19.947 304 HE22 GLN 37 HE22 GLN 37 -2.595 31.656 -20.673 305 HA PRO 38 HA PRO 38 -1.883 29.440 -12.394 306 HB2 PRO 38 HB2 PRO 38 -1.965 30.899 -10.106 307 HB3 PRO 38 HB1 PRO 38 -0.667 31.099 -11.294 308 HG2 PRO 38 HG2 PRO 38 -3.206 32.734 -10.989 309 HG3 PRO 38 HG1 PRO 38 -1.524 33.314 -11.074 310 HD2 PRO 38 HD2 PRO 38 -3.090 33.304 -13.247 311 HD3 PRO 38 HD1 PRO 38 -1.365 32.897 -13.378 312 H VAL 39 HN VAL 39 -4.882 31.161 -12.547 313 HA VAL 39 HA VAL 39 -6.269 29.985 -10.356 314 HB VAL 39 HB VAL 39 -8.362 30.667 -11.503 315 HG11 VAL 39 HG11 VAL 39 -7.147 32.338 -10.174 316 HG12 VAL 39 HG12 VAL 39 -7.934 33.103 -11.556 317 HG13 VAL 39 HG13 VAL 39 -6.196 32.800 -11.588 318 HG21 VAL 39 HG21 VAL 39 -6.556 31.454 -13.826 319 HG22 VAL 39 HG22 VAL 39 -8.283 31.795 -13.706 320 HG23 VAL 39 HG23 VAL 39 -7.724 30.127 -13.826 321 H ARG 40 HN ARG 40 -5.410 28.794 -13.490 322 HA ARG 40 HA ARG 40 -7.366 26.761 -13.798 323 HB2 ARG 40 HB2 ARG 40 -4.564 26.903 -14.978 324 HB3 ARG 40 HB1 ARG 40 -5.847 25.812 -15.509 325 HG2 ARG 40 HG2 ARG 40 -7.228 27.830 -16.094 326 HG3 ARG 40 HG1 ARG 40 -5.830 28.838 -15.707 327 HD2 ARG 40 HD2 ARG 40 -5.936 28.495 -18.106 328 HD3 ARG 40 HD1 ARG 40 -4.530 27.635 -17.451 329 HE ARG 40 HE ARG 40 -6.536 25.766 -17.454 330 HH11 ARG 40 HH11 ARG 40 -5.119 27.738 -19.984 331 HH12 ARG 40 HH12 ARG 40 -5.375 26.544 -21.206 332 HH21 ARG 40 HH21 ARG 40 -6.877 24.224 -19.069 333 HH22 ARG 40 HH22 ARG 40 -6.382 24.557 -20.693 334 H VAL 41 HN VAL 41 -4.359 26.913 -12.020 335 HA VAL 41 HA VAL 41 -3.898 24.232 -11.389 336 HB VAL 41 HB VAL 41 -3.534 26.699 -9.621 337 HG11 VAL 41 HG11 VAL 41 -2.349 23.931 -9.207 338 HG12 VAL 41 HG12 VAL 41 -3.567 24.700 -8.191 339 HG13 VAL 41 HG13 VAL 41 -1.939 25.370 -8.270 340 HG21 VAL 41 HG21 VAL 41 -1.156 26.582 -10.341 341 HG22 VAL 41 HG22 VAL 41 -2.241 26.784 -11.719 342 HG23 VAL 41 HG23 VAL 41 -1.543 25.199 -11.371 343 H LYS 42 HN LYS 42 -5.942 26.542 -9.602 344 HA LYS 42 HA LYS 42 -7.000 24.602 -7.780 345 HB2 LYS 42 HB2 LYS 42 -6.692 27.163 -7.455 346 HB3 LYS 42 HB1 LYS 42 -8.197 27.343 -8.336 347 HG2 LYS 42 HG2 LYS 42 -7.997 25.649 -5.831 348 HG3 LYS 42 HG1 LYS 42 -8.255 27.389 -5.745 349 HD2 LYS 42 HD2 LYS 42 -10.095 25.362 -7.081 350 HD3 LYS 42 HD1 LYS 42 -10.376 26.167 -5.535 351 HE2 LYS 42 HE2 LYS 42 -10.221 27.526 -8.253 352 HE3 LYS 42 HE1 LYS 42 -11.691 27.212 -7.330 353 HZ1 LYS 42 HZ1 LYS 42 -9.469 29.013 -6.536 354 HZ2 LYS 42 HZ2 LYS 42 -10.804 28.648 -5.567 355 HZ3 LYS 42 HZ3 LYS 42 -11.022 29.473 -7.028 356 H ALA 43 HN ALA 43 -7.992 25.894 -10.877 357 HA ALA 43 HA ALA 43 -10.670 24.965 -10.965 358 HB1 ALA 43 HB1 ALA 43 -9.756 26.679 -12.496 359 HB2 ALA 43 HB2 ALA 43 -10.523 25.358 -13.379 360 HB3 ALA 43 HB3 ALA 43 -8.762 25.447 -13.279 361 H VAL 44 HN VAL 44 -7.612 23.496 -12.052 362 HA VAL 44 HA VAL 44 -8.623 21.077 -13.114 363 HB VAL 44 HB VAL 44 -5.860 21.777 -12.013 364 HG11 VAL 44 HG11 VAL 44 -6.659 19.178 -13.377 365 HG12 VAL 44 HG12 VAL 44 -6.135 19.349 -11.700 366 HG13 VAL 44 HG13 VAL 44 -5.003 19.675 -13.015 367 HG21 VAL 44 HG21 VAL 44 -5.177 21.739 -14.363 368 HG22 VAL 44 HG22 VAL 44 -6.515 22.861 -14.141 369 HG23 VAL 44 HG23 VAL 44 -6.806 21.274 -14.855 370 H TYR 45 HN TYR 45 -7.376 21.954 -9.901 371 HA TYR 45 HA TYR 45 -7.667 19.599 -8.494 372 HB2 TYR 45 HB2 TYR 45 -6.637 21.371 -7.350 373 HB3 TYR 45 HB1 TYR 45 -7.928 22.504 -7.718 374 HD1 TYR 45 HD2 TYR 45 -6.973 19.647 -5.504 375 HD2 TYR 45 HD1 TYR 45 -9.795 22.778 -6.230 376 HE1 TYR 45 HE2 TYR 45 -7.957 19.289 -3.273 377 HE2 TYR 45 HE1 TYR 45 -10.769 22.424 -4.012 378 HH TYR 45 HH TYR 45 -10.954 20.637 -2.366 379 H LEU 46 HN LEU 46 -10.196 22.119 -8.941 380 HA LEU 46 HA LEU 46 -12.258 20.866 -7.489 381 HB2 LEU 46 HB2 LEU 46 -12.447 22.815 -9.818 382 HB3 LEU 46 HB1 LEU 46 -13.830 22.315 -8.853 383 HG LEU 46 HG LEU 46 -11.424 23.886 -7.847 384 HD11 LEU 46 HD11 LEU 46 -13.024 25.728 -7.551 385 HD12 LEU 46 HD12 LEU 46 -14.302 24.744 -8.270 386 HD13 LEU 46 HD13 LEU 46 -12.907 25.227 -9.239 387 HD21 LEU 46 HD21 LEU 46 -12.226 22.405 -6.076 388 HD22 LEU 46 HD22 LEU 46 -13.882 22.969 -6.311 389 HD23 LEU 46 HD23 LEU 46 -12.647 24.078 -5.709 390 H PHE 47 HN PHE 47 -11.464 20.751 -10.942 391 HA PHE 47 HA PHE 47 -13.530 19.055 -11.819 392 HB2 PHE 47 HB2 PHE 47 -12.389 20.172 -13.555 393 HB3 PHE 47 HB1 PHE 47 -10.801 19.782 -12.903 394 HD1 PHE 47 HD2 PHE 47 -13.809 18.077 -14.408 395 HD2 PHE 47 HD1 PHE 47 -9.559 18.079 -13.916 396 HE1 PHE 47 HE2 PHE 47 -13.629 16.121 -15.890 397 HE2 PHE 47 HE1 PHE 47 -9.384 16.130 -15.388 398 HZ PHE 47 HZ PHE 47 -11.423 15.140 -16.379 399 H LEU 48 HN LEU 48 -10.273 18.272 -10.584 400 HA LEU 48 HA LEU 48 -10.400 15.488 -11.102 401 HB2 LEU 48 HB2 LEU 48 -8.610 17.045 -9.220 402 HB3 LEU 48 HB1 LEU 48 -8.425 15.328 -9.544 403 HG LEU 48 HG LEU 48 -8.025 17.609 -11.516 404 HD11 LEU 48 HD11 LEU 48 -6.058 15.613 -10.365 405 HD12 LEU 48 HD12 LEU 48 -6.197 17.318 -9.930 406 HD13 LEU 48 HD13 LEU 48 -5.696 16.867 -11.557 407 HD21 LEU 48 HD21 LEU 48 -7.364 15.927 -13.178 408 HD22 LEU 48 HD22 LEU 48 -9.052 15.737 -12.711 409 HD23 LEU 48 HD23 LEU 48 -7.831 14.631 -12.074 410 H VAL 49 HN VAL 49 -11.127 17.406 -8.172 411 HA VAL 49 HA VAL 49 -11.614 15.190 -6.442 412 HB VAL 49 HB VAL 49 -12.746 18.020 -6.195 413 HG11 VAL 49 HG11 VAL 49 -12.447 15.840 -4.088 414 HG12 VAL 49 HG12 VAL 49 -13.968 16.392 -4.795 415 HG13 VAL 49 HG13 VAL 49 -13.021 17.484 -3.782 416 HG21 VAL 49 HG21 VAL 49 -10.217 16.853 -4.962 417 HG22 VAL 49 HG22 VAL 49 -10.860 18.467 -4.641 418 HG23 VAL 49 HG23 VAL 49 -10.274 18.053 -6.252 419 H ASP 50 HN ASP 50 -13.614 17.162 -8.582 420 HA ASP 50 HA ASP 50 -16.174 16.058 -8.137 421 HB2 ASP 50 HB2 ASP 50 -15.797 18.143 -9.410 422 HB3 ASP 50 HB1 ASP 50 -14.944 17.263 -10.662 423 H ALA 51 HN ALA 51 -13.543 15.137 -10.291 424 HA ALA 51 HA ALA 51 -14.978 12.927 -11.523 425 HB1 ALA 51 HB1 ALA 51 -12.932 12.671 -12.872 426 HB2 ALA 51 HB2 ALA 51 -12.106 13.851 -11.846 427 HB3 ALA 51 HB3 ALA 51 -13.464 14.355 -12.852 428 H LYS 52 HN LYS 52 -13.569 13.279 -8.580 429 HA LYS 52 HA LYS 52 -12.903 11.938 -6.909 430 HB2 LYS 52 HB2 LYS 52 -13.968 9.681 -8.656 431 HB3 LYS 52 HB1 LYS 52 -13.627 9.567 -6.927 432 HG2 LYS 52 HG2 LYS 52 -15.350 11.270 -6.462 433 HG3 LYS 52 HG1 LYS 52 -15.684 11.415 -8.192 434 HD2 LYS 52 HD2 LYS 52 -16.406 9.031 -8.224 435 HD3 LYS 52 HD1 LYS 52 -16.110 8.930 -6.483 436 HE2 LYS 52 HE2 LYS 52 -18.130 10.762 -7.835 437 HE3 LYS 52 HE1 LYS 52 -18.504 9.265 -6.974 438 HZ1 LYS 52 HZ1 LYS 52 -18.892 11.181 -5.577 439 HZ2 LYS 52 HZ2 LYS 52 -17.298 11.706 -5.774 440 HZ3 LYS 52 HZ3 LYS 52 -17.617 10.266 -4.948 441 H GLN 53 HN GLN 53 -11.118 12.489 -9.226 442 HA GLN 53 HA GLN 53 -9.134 10.468 -9.412 443 HB2 GLN 53 HB2 GLN 53 -8.931 13.475 -9.885 444 HB3 GLN 53 HB1 GLN 53 -7.755 12.279 -10.418 445 HG2 GLN 53 HG2 GLN 53 -10.634 12.448 -11.361 446 HG3 GLN 53 HG1 GLN 53 -9.232 13.053 -12.247 447 HE21 GLN 53 HE21 GLN 53 -11.248 10.969 -12.930 448 HE22 GLN 53 HE22 GLN 53 -10.328 9.558 -13.307 449 H ILE 54 HN ILE 54 -9.484 13.408 -7.422 450 HA ILE 54 HA ILE 54 -7.516 12.347 -5.478 451 HB ILE 54 HB ILE 54 -6.782 14.693 -4.945 452 HG12 ILE 54 HG12 ILE 54 -8.305 15.439 -7.484 453 HG13 ILE 54 HG11 ILE 54 -8.736 15.923 -5.850 454 HG21 ILE 54 HG21 ILE 54 -5.391 13.267 -6.366 455 HG22 ILE 54 HG22 ILE 54 -5.250 14.962 -6.831 456 HG23 ILE 54 HG23 ILE 54 -6.229 13.861 -7.802 457 HD11 ILE 54 HD11 ILE 54 -7.703 17.744 -7.058 458 HD12 ILE 54 HD12 ILE 54 -6.264 16.771 -7.361 459 HD13 ILE 54 HD13 ILE 54 -6.676 17.252 -5.712 460 H ALA 55 HN ALA 55 -7.778 13.174 -3.336 461 HA ALA 55 HA ALA 55 -10.509 13.625 -2.455 462 HB1 ALA 55 HB1 ALA 55 -9.058 12.070 -1.197 463 HB2 ALA 55 HB2 ALA 55 -9.522 13.435 -0.182 464 HB3 ALA 55 HB3 ALA 55 -7.904 13.370 -0.887 465 HA PRO 56 HA PRO 56 -9.910 18.090 -2.159 466 HB2 PRO 56 HB2 PRO 56 -11.801 18.811 -0.365 467 HB3 PRO 56 HB1 PRO 56 -12.235 18.161 -1.954 468 HG2 PRO 56 HG2 PRO 56 -12.086 16.718 0.699 469 HG3 PRO 56 HG1 PRO 56 -13.387 16.681 -0.511 470 HD2 PRO 56 HD2 PRO 56 -11.485 14.729 -0.349 471 HD3 PRO 56 HD1 PRO 56 -12.237 15.197 -1.892 472 H LEU 57 HN LEU 57 -8.948 19.673 -0.910 473 HA LEU 57 HA LEU 57 -7.605 18.986 1.573 474 HB2 LEU 57 HB2 LEU 57 -7.782 21.574 -0.021 475 HB3 LEU 57 HB1 LEU 57 -6.745 21.338 1.379 476 HG LEU 57 HG LEU 57 -6.466 19.665 -1.152 477 HD11 LEU 57 HD11 LEU 57 -4.652 21.134 -1.853 478 HD12 LEU 57 HD12 LEU 57 -4.951 22.202 -0.479 479 HD13 LEU 57 HD13 LEU 57 -6.167 22.030 -1.744 480 HD21 LEU 57 HD21 LEU 57 -4.205 19.206 -0.286 481 HD22 LEU 57 HD22 LEU 57 -5.437 18.699 0.867 482 HD23 LEU 57 HD23 LEU 57 -4.537 20.194 1.140 483 HA PRO 58 HA PRO 58 -10.839 20.940 4.217 484 HB2 PRO 58 HB2 PRO 58 -9.181 21.629 6.343 485 HB3 PRO 58 HB1 PRO 58 -9.889 20.024 6.125 486 HG2 PRO 58 HG2 PRO 58 -7.136 21.000 5.390 487 HG3 PRO 58 HG1 PRO 58 -7.609 19.475 6.170 488 HD2 PRO 58 HD2 PRO 58 -7.016 19.557 3.545 489 HD3 PRO 58 HD1 PRO 58 -8.326 18.515 4.149 490 H ASP 59 HN ASP 59 -11.225 23.130 5.093 491 HA ASP 59 HA ASP 59 -10.708 25.120 3.217 492 HB2 ASP 59 HB2 ASP 59 -12.657 25.169 4.689 493 HB3 ASP 59 HB1 ASP 59 -11.636 25.391 6.102 494 H SER 60 HN SER 60 -9.088 24.517 6.298 495 HA SER 60 HA SER 60 -7.422 26.801 6.402 496 HB2 SER 60 HB2 SER 60 -7.837 25.349 8.359 497 HB3 SER 60 HB1 SER 60 -6.974 24.028 7.578 498 HG SER 60 HG SER 60 -5.998 26.103 9.005 499 H LYS 61 HN LYS 61 -7.043 23.658 4.803 500 HA LYS 61 HA LYS 61 -4.328 24.319 3.856 501 HB2 LYS 61 HB2 LYS 61 -5.923 21.722 3.713 502 HB3 LYS 61 HB1 LYS 61 -4.291 21.927 3.070 503 HG2 LYS 61 HG2 LYS 61 -5.100 22.230 5.983 504 HG3 LYS 61 HG1 LYS 61 -4.296 20.820 5.284 505 HD2 LYS 61 HD2 LYS 61 -2.277 22.048 4.882 506 HD3 LYS 61 HD1 LYS 61 -3.068 23.600 5.159 507 HE2 LYS 61 HE2 LYS 61 -3.351 23.008 7.545 508 HE3 LYS 61 HE1 LYS 61 -2.501 21.486 7.256 509 HZ1 LYS 61 HZ1 LYS 61 -1.356 24.193 6.823 510 HZ2 LYS 61 HZ2 LYS 61 -0.541 22.722 6.627 511 HZ3 LYS 61 HZ3 LYS 61 -1.052 23.206 8.163 512 H LEU 62 HN LEU 62 -7.323 25.051 2.858 513 HA LEU 62 HA LEU 62 -7.047 24.426 0.023 514 HB2 LEU 62 HB2 LEU 62 -9.280 24.698 1.517 515 HB3 LEU 62 HB1 LEU 62 -9.127 26.372 1.034 516 HG LEU 62 HG LEU 62 -10.702 25.121 -0.403 517 HD11 LEU 62 HD11 LEU 62 -9.568 27.030 -1.406 518 HD12 LEU 62 HD12 LEU 62 -9.891 25.775 -2.600 519 HD13 LEU 62 HD13 LEU 62 -8.258 25.984 -1.960 520 HD21 LEU 62 HD21 LEU 62 -8.319 23.439 -1.222 521 HD22 LEU 62 HD22 LEU 62 -9.944 23.359 -1.914 522 HD23 LEU 62 HD23 LEU 62 -9.682 22.907 -0.232 523 H ASP 63 HN ASP 63 -4.987 25.398 -0.091 524 HA ASP 63 HA ASP 63 -5.035 28.271 -0.789 525 HB2 ASP 63 HB2 ASP 63 -3.856 28.025 1.399 526 HB3 ASP 63 HB1 ASP 63 -2.782 26.827 0.690 527 H GLY 64 HN GLY 64 -3.605 28.766 -2.549 528 HA2 GLY 64 HA2 GLY 64 -3.758 27.017 -4.680 529 HA3 GLY 64 HA1 GLY 64 -2.712 28.423 -4.622 530 H ALA 65 HN ALA 65 -0.972 27.532 -2.543 531 HA ALA 65 HA ALA 65 0.882 25.969 -4.088 532 HB1 ALA 65 HB1 ALA 65 1.020 26.876 -1.190 533 HB2 ALA 65 HB2 ALA 65 1.600 27.780 -2.587 534 HB3 ALA 65 HB3 ALA 65 2.374 26.257 -2.150 535 H ASN 66 HN ASN 66 -1.455 25.247 -1.578 536 HA ASN 66 HA ASN 66 -0.474 22.564 -1.024 537 HB2 ASN 66 HB2 ASN 66 -3.070 23.922 -0.182 538 HB3 ASN 66 HB1 ASN 66 -2.493 22.372 0.423 539 HD21 ASN 66 HD21 ASN 66 -3.093 24.870 1.852 540 HD22 ASN 66 HD22 ASN 66 -1.655 25.285 2.713 541 H ILE 67 HN ILE 67 -2.984 24.092 -2.958 542 HA ILE 67 HA ILE 67 -4.376 21.902 -4.008 543 HB ILE 67 HB ILE 67 -3.576 24.522 -5.372 544 HG12 ILE 67 HG12 ILE 67 -4.972 24.840 -3.313 545 HG13 ILE 67 HG11 ILE 67 -5.770 25.409 -4.769 546 HG21 ILE 67 HG21 ILE 67 -5.440 24.123 -6.952 547 HG22 ILE 67 HG22 ILE 67 -5.667 22.522 -6.248 548 HG23 ILE 67 HG23 ILE 67 -4.164 22.913 -7.080 549 HD11 ILE 67 HD11 ILE 67 -7.194 23.463 -4.778 550 HD12 ILE 67 HD12 ILE 67 -7.280 24.286 -3.221 551 HD13 ILE 67 HD13 ILE 67 -6.347 22.800 -3.382 552 H LYS 68 HN LYS 68 -1.386 23.489 -4.982 553 HA LYS 68 HA LYS 68 -0.687 22.048 -7.257 554 HB2 LYS 68 HB2 LYS 68 1.013 23.494 -5.194 555 HB3 LYS 68 HB1 LYS 68 1.694 22.806 -6.668 556 HG2 LYS 68 HG2 LYS 68 0.166 24.226 -8.012 557 HG3 LYS 68 HG1 LYS 68 -0.445 24.942 -6.522 558 HD2 LYS 68 HD2 LYS 68 1.823 25.816 -6.035 559 HD3 LYS 68 HD1 LYS 68 2.407 25.122 -7.555 560 HE2 LYS 68 HE2 LYS 68 0.790 26.552 -8.796 561 HE3 LYS 68 HE1 LYS 68 0.270 27.269 -7.267 562 HZ1 LYS 68 HZ1 LYS 68 2.953 27.447 -8.497 563 HZ2 LYS 68 HZ2 LYS 68 2.578 28.019 -6.956 564 HZ3 LYS 68 HZ3 LYS 68 1.836 28.701 -8.313 565 H HIS 69 HN HIS 69 -0.167 21.284 -3.856 566 HA HIS 69 HA HIS 69 1.612 19.107 -4.205 567 HB2 HIS 69 HB2 HIS 69 1.106 20.392 -2.030 568 HB3 HIS 69 HB1 HIS 69 -0.345 19.406 -1.887 569 HD1 HIS 69 HD1 HIS 69 3.413 19.124 -1.930 570 HD2 HIS 69 HD2 HIS 69 0.122 16.838 -0.866 571 HE1 HIS 69 HE1 HIS 69 4.344 17.122 -0.742 572 HE2 HIS 69 HE2 HIS 69 2.337 15.691 -0.219 573 H ARG 70 HN ARG 70 -1.947 19.235 -3.841 574 HA ARG 70 HA ARG 70 -2.609 16.527 -4.077 575 HB2 ARG 70 HB2 ARG 70 -4.088 19.045 -4.908 576 HB3 ARG 70 HB1 ARG 70 -4.786 17.460 -5.206 577 HG2 ARG 70 HG2 ARG 70 -4.063 18.585 -2.485 578 HG3 ARG 70 HG1 ARG 70 -5.687 18.487 -3.170 579 HD2 ARG 70 HD2 ARG 70 -5.272 15.940 -3.328 580 HD3 ARG 70 HD1 ARG 70 -3.882 16.221 -2.275 581 HE ARG 70 HE ARG 70 -6.626 17.034 -1.484 582 HH11 ARG 70 HH11 ARG 70 -3.653 15.331 -0.699 583 HH12 ARG 70 HH12 ARG 70 -4.232 14.787 0.839 584 HH21 ARG 70 HH21 ARG 70 -7.362 16.337 0.552 585 HH22 ARG 70 HH22 ARG 70 -6.324 15.386 1.560 586 H LEU 71 HN LEU 71 -2.258 18.967 -6.651 587 HA LEU 71 HA LEU 71 -2.906 17.316 -8.845 588 HB2 LEU 71 HB2 LEU 71 -1.165 19.807 -8.831 589 HB3 LEU 71 HB1 LEU 71 -1.912 19.085 -10.248 590 HG LEU 71 HG LEU 71 -3.274 20.557 -7.972 591 HD11 LEU 71 HD11 LEU 71 -2.308 21.950 -9.724 592 HD12 LEU 71 HD12 LEU 71 -4.066 22.045 -9.729 593 HD13 LEU 71 HD13 LEU 71 -3.232 21.082 -10.954 594 HD21 LEU 71 HD21 LEU 71 -4.649 18.956 -10.154 595 HD22 LEU 71 HD22 LEU 71 -5.445 20.084 -9.055 596 HD23 LEU 71 HD23 LEU 71 -4.684 18.631 -8.419 597 H ALA 72 HN ALA 72 0.165 18.023 -7.258 598 HA ALA 72 HA ALA 72 1.917 17.024 -9.261 599 HB1 ALA 72 HB1 ALA 72 3.657 17.176 -7.546 600 HB2 ALA 72 HB2 ALA 72 2.424 17.387 -6.297 601 HB3 ALA 72 HB3 ALA 72 2.639 18.619 -7.543 602 H LEU 73 HN LEU 73 0.739 15.587 -6.192 603 HA LEU 73 HA LEU 73 2.054 13.072 -6.633 604 HB2 LEU 73 HB2 LEU 73 -0.056 13.930 -4.653 605 HB3 LEU 73 HB1 LEU 73 0.450 12.253 -4.783 606 HG LEU 73 HG LEU 73 2.863 13.144 -4.415 607 HD11 LEU 73 HD11 LEU 73 2.460 15.512 -4.735 608 HD12 LEU 73 HD12 LEU 73 3.064 15.209 -3.107 609 HD13 LEU 73 HD13 LEU 73 1.343 15.541 -3.364 610 HD21 LEU 73 HD21 LEU 73 2.617 13.034 -1.982 611 HD22 LEU 73 HD22 LEU 73 1.699 11.772 -2.805 612 HD23 LEU 73 HD23 LEU 73 0.863 13.185 -2.149 613 H TRP 74 HN TRP 74 -1.134 14.345 -7.449 614 HA TRP 74 HA TRP 74 -2.411 11.955 -8.222 615 HB2 TRP 74 HB2 TRP 74 -3.714 14.011 -8.104 616 HB3 TRP 74 HB1 TRP 74 -2.725 14.777 -9.342 617 HD1 TRP 74 HD1 TRP 74 -5.217 11.787 -9.031 618 HE1 TRP 74 HE1 TRP 74 -6.375 11.470 -11.302 619 HE3 TRP 74 HE3 TRP 74 -2.735 15.356 -11.734 620 HZ2 TRP 74 HZ2 TRP 74 -6.269 12.568 -13.882 621 HZ3 TRP 74 HZ3 TRP 74 -3.326 15.660 -14.104 622 HH2 TRP 74 HH2 TRP 74 -5.062 14.295 -15.157 623 H ILE 75 HN ILE 75 -0.529 14.274 -10.167 624 HA ILE 75 HA ILE 75 -0.737 12.721 -12.562 625 HB ILE 75 HB ILE 75 -0.577 15.237 -12.539 626 HG12 ILE 75 HG12 ILE 75 0.870 15.414 -14.553 627 HG13 ILE 75 HG11 ILE 75 1.553 13.829 -14.209 628 HG21 ILE 75 HG21 ILE 75 1.642 16.299 -12.344 629 HG22 ILE 75 HG22 ILE 75 2.343 14.752 -11.879 630 HG23 ILE 75 HG23 ILE 75 1.149 15.527 -10.837 631 HD11 ILE 75 HD11 ILE 75 -0.609 12.795 -14.623 632 HD12 ILE 75 HD12 ILE 75 -0.098 13.772 -15.998 633 HD13 ILE 75 HD13 ILE 75 -1.331 14.383 -14.896 634 H HIS 76 HN HIS 76 1.583 12.913 -9.930 635 HA HIS 76 HA HIS 76 3.718 11.524 -11.229 636 HB2 HIS 76 HB2 HIS 76 3.817 12.874 -8.998 637 HB3 HIS 76 HB1 HIS 76 3.206 11.415 -8.221 638 HD1 HIS 76 HD1 HIS 76 5.199 10.484 -7.033 639 HD2 HIS 76 HD2 HIS 76 6.146 11.720 -10.888 640 HE1 HIS 76 HE1 HIS 76 7.605 9.855 -7.374 641 HE2 HIS 76 HE2 HIS 76 8.202 10.758 -9.651 642 H ALA 77 HN ALA 77 0.890 10.544 -9.343 643 HA ALA 77 HA ALA 77 1.267 7.718 -9.561 644 HB1 ALA 77 HB1 ALA 77 -1.060 7.569 -8.779 645 HB2 ALA 77 HB2 ALA 77 -1.270 9.301 -9.056 646 HB3 ALA 77 HB3 ALA 77 -0.144 8.735 -7.823 647 H ALA 78 HN ALA 78 -0.198 10.151 -11.643 648 HA ALA 78 HA ALA 78 -1.599 8.282 -13.354 649 HB1 ALA 78 HB1 ALA 78 -1.056 11.241 -13.770 650 HB2 ALA 78 HB2 ALA 78 -2.475 10.558 -12.976 651 HB3 ALA 78 HB3 ALA 78 -2.194 10.250 -14.690 652 H LEU 79 HN LEU 79 1.557 9.810 -13.327 653 HA LEU 79 HA LEU 79 2.304 8.958 -15.989 654 HB2 LEU 79 HB2 LEU 79 3.924 10.087 -13.675 655 HB3 LEU 79 HB1 LEU 79 4.644 9.623 -15.208 656 HG LEU 79 HG LEU 79 2.598 11.847 -14.790 657 HD11 LEU 79 HD11 LEU 79 4.827 12.467 -13.989 658 HD12 LEU 79 HD12 LEU 79 4.417 13.381 -15.437 659 HD13 LEU 79 HD13 LEU 79 5.538 12.021 -15.541 660 HD21 LEU 79 HD21 LEU 79 2.211 10.765 -16.956 661 HD22 LEU 79 HD22 LEU 79 3.914 10.948 -17.383 662 HD23 LEU 79 HD23 LEU 79 2.894 12.376 -17.185 663 HA PRO 80 HA PRO 80 2.581 4.757 -14.327 664 HB2 PRO 80 HB2 PRO 80 3.255 3.463 -16.667 665 HB3 PRO 80 HB1 PRO 80 1.621 4.036 -16.315 666 HG2 PRO 80 HG2 PRO 80 3.773 5.352 -17.972 667 HG3 PRO 80 HG1 PRO 80 2.047 5.140 -18.349 668 HD2 PRO 80 HD2 PRO 80 3.005 7.482 -17.404 669 HD3 PRO 80 HD1 PRO 80 1.391 6.895 -16.948 670 H ASP 81 HN ASP 81 5.190 6.208 -16.211 671 HA ASP 81 HA ASP 81 7.246 4.416 -15.142 672 HB2 ASP 81 HB2 ASP 81 7.513 6.835 -16.993 673 HB3 ASP 81 HB1 ASP 81 8.801 5.702 -16.595 674 H ASN 82 HN ASN 82 5.698 7.260 -14.212 675 HA ASN 82 HA ASN 82 5.970 8.868 -12.662 676 HB2 ASN 82 HB2 ASN 82 8.117 7.016 -11.545 677 HB3 ASN 82 HB1 ASN 82 7.475 8.428 -10.711 678 HD21 ASN 82 HD21 ASN 82 6.901 5.139 -11.620 679 HD22 ASN 82 HD22 ASN 82 5.470 4.927 -10.679 680 H ASP 83 HN ASP 83 7.018 9.462 -14.995 681 HA ASP 83 HA ASP 83 9.626 10.227 -15.348 682 HB2 ASP 83 HB2 ASP 83 7.920 10.391 -17.100 683 HB3 ASP 83 HB1 ASP 83 7.068 11.648 -16.215 684 HA PRO 84 HA PRO 84 10.224 13.290 -12.065 685 HB2 PRO 84 HB2 PRO 84 12.704 14.193 -12.664 686 HB3 PRO 84 HB1 PRO 84 12.438 12.537 -12.098 687 HG2 PRO 84 HG2 PRO 84 12.779 13.527 -14.936 688 HG3 PRO 84 HG1 PRO 84 13.573 12.153 -14.133 689 HD2 PRO 84 HD2 PRO 84 11.394 11.841 -15.749 690 HD3 PRO 84 HD1 PRO 84 11.710 10.773 -14.364 691 H LEU 85 HN LEU 85 9.802 14.073 -15.328 692 HA LEU 85 HA LEU 85 9.527 15.886 -16.598 693 HB2 LEU 85 HB2 LEU 85 8.520 17.141 -14.026 694 HB3 LEU 85 HB1 LEU 85 8.374 17.866 -15.612 695 HG LEU 85 HG LEU 85 7.098 15.689 -16.268 696 HD11 LEU 85 HD11 LEU 85 5.821 14.678 -14.407 697 HD12 LEU 85 HD12 LEU 85 6.845 15.554 -13.266 698 HD13 LEU 85 HD13 LEU 85 7.551 14.345 -14.335 699 HD21 LEU 85 HD21 LEU 85 4.987 16.672 -15.567 700 HD22 LEU 85 HD22 LEU 85 6.092 17.894 -16.185 701 HD23 LEU 85 HD23 LEU 85 5.835 17.738 -14.444 702 H LYS 86 HN LYS 86 12.051 15.557 -16.217 703 HA LYS 86 HA LYS 86 13.442 17.883 -15.261 704 HB2 LYS 86 HB2 LYS 86 14.568 15.696 -15.337 705 HB3 LYS 86 HB1 LYS 86 14.345 15.602 -17.076 706 HG2 LYS 86 HG2 LYS 86 16.587 16.198 -16.858 707 HG3 LYS 86 HG1 LYS 86 15.806 17.735 -17.207 708 HD2 LYS 86 HD2 LYS 86 16.546 16.807 -14.403 709 HD3 LYS 86 HD1 LYS 86 17.610 17.773 -15.419 710 HE2 LYS 86 HE2 LYS 86 14.897 18.618 -14.342 711 HE3 LYS 86 HE1 LYS 86 16.471 19.193 -13.794 712 HZ1 LYS 86 HZ1 LYS 86 16.813 20.103 -16.058 713 HZ2 LYS 86 HZ2 LYS 86 15.514 20.814 -15.246 714 HZ3 LYS 86 HZ3 LYS 86 15.227 19.669 -16.459 Start of MODEL 5 1 H MET 1 HT1 MET 1 2.625 -0.809 -5.907 2 HA MET 1 HA MET 1 4.195 0.409 -4.607 3 HB2 MET 1 HB2 MET 1 5.983 -1.342 -4.804 4 HB3 MET 1 HB1 MET 1 6.276 -0.845 -6.460 5 HG2 MET 1 HG2 MET 1 7.078 1.317 -5.699 6 HG3 MET 1 HG1 MET 1 6.680 0.905 -4.029 7 HE1 MET 1 HE1 MET 1 9.220 -2.032 -3.323 8 HE2 MET 1 HE2 MET 1 7.582 -2.211 -3.947 9 HE3 MET 1 HE3 MET 1 7.912 -1.056 -2.653 10 H SER 2 HN SER 2 3.199 2.241 -5.409 11 HA SER 2 HA SER 2 3.613 3.032 -8.229 12 HB2 SER 2 HB2 SER 2 1.617 4.086 -6.173 13 HB3 SER 2 HB1 SER 2 1.723 4.604 -7.857 14 HG SER 2 HG SER 2 0.137 3.050 -7.713 15 H LYS 3 HN LYS 3 3.297 4.778 -5.090 16 HA LYS 3 HA LYS 3 4.973 6.957 -6.053 17 HB2 LYS 3 HB2 LYS 3 2.867 7.368 -4.746 18 HB3 LYS 3 HB1 LYS 3 3.604 6.589 -3.352 19 HG2 LYS 3 HG2 LYS 3 5.386 8.378 -3.385 20 HG3 LYS 3 HG1 LYS 3 4.489 9.178 -4.676 21 HD2 LYS 3 HD2 LYS 3 3.972 10.233 -2.527 22 HD3 LYS 3 HD1 LYS 3 2.538 9.424 -3.162 23 HE2 LYS 3 HE2 LYS 3 2.975 7.498 -1.635 24 HE3 LYS 3 HE1 LYS 3 4.372 8.354 -0.976 25 HZ1 LYS 3 HZ1 LYS 3 2.917 10.066 -0.175 26 HZ2 LYS 3 HZ2 LYS 3 2.382 8.572 0.398 27 HZ3 LYS 3 HZ3 LYS 3 1.572 9.327 -0.880 28 H THR 4 HN THR 4 6.970 5.916 -6.237 29 HA THR 4 HA THR 4 8.431 5.473 -3.711 30 HB THR 4 HB THR 4 7.802 3.251 -4.646 31 HG1 THR 4 HG1 THR 4 10.602 3.726 -4.890 32 HG21 THR 4 HG21 THR 4 9.533 4.009 -7.038 33 HG22 THR 4 HG22 THR 4 7.779 3.789 -7.069 34 HG23 THR 4 HG23 THR 4 8.842 2.420 -6.728 35 H ALA 5 HN ALA 5 8.331 6.735 -6.918 36 HA ALA 5 HA ALA 5 11.197 7.231 -7.123 37 HB1 ALA 5 HB1 ALA 5 8.932 7.984 -8.992 38 HB2 ALA 5 HB2 ALA 5 9.955 6.551 -9.124 39 HB3 ALA 5 HB3 ALA 5 10.656 8.158 -9.331 40 H LYS 6 HN LYS 6 11.855 9.474 -7.811 41 HA LYS 6 HA LYS 6 11.410 11.126 -5.523 42 HB2 LYS 6 HB2 LYS 6 13.176 12.581 -6.563 43 HB3 LYS 6 HB1 LYS 6 13.642 10.891 -6.391 44 HG2 LYS 6 HG2 LYS 6 13.119 10.528 -8.803 45 HG3 LYS 6 HG1 LYS 6 12.744 12.249 -8.955 46 HD2 LYS 6 HD2 LYS 6 15.062 12.825 -8.353 47 HD3 LYS 6 HD1 LYS 6 15.448 11.115 -8.125 48 HE2 LYS 6 HE2 LYS 6 14.635 12.433 -10.741 49 HE3 LYS 6 HE1 LYS 6 16.263 11.915 -10.296 50 HZ1 LYS 6 HZ1 LYS 6 15.404 9.624 -10.159 51 HZ2 LYS 6 HZ2 LYS 6 15.263 10.286 -11.700 52 HZ3 LYS 6 HZ3 LYS 6 13.901 10.165 -10.714 53 H LEU 7 HN LEU 7 10.319 12.979 -5.270 54 HA LEU 7 HA LEU 7 9.059 14.347 -7.584 55 HB2 LEU 7 HB2 LEU 7 7.482 13.375 -5.839 56 HB3 LEU 7 HB1 LEU 7 8.165 14.472 -4.657 57 HG LEU 7 HG LEU 7 6.937 15.617 -7.191 58 HD11 LEU 7 HD11 LEU 7 5.278 14.840 -4.772 59 HD12 LEU 7 HD12 LEU 7 5.264 14.011 -6.333 60 HD13 LEU 7 HD13 LEU 7 4.718 15.683 -6.226 61 HD21 LEU 7 HD21 LEU 7 6.385 17.534 -5.781 62 HD22 LEU 7 HD22 LEU 7 8.104 17.169 -5.648 63 HD23 LEU 7 HD23 LEU 7 7.001 16.701 -4.349 64 H ASN 8 HN ASN 8 10.508 15.900 -8.132 65 HA ASN 8 HA ASN 8 12.011 17.344 -6.035 66 HB2 ASN 8 HB2 ASN 8 12.625 17.199 -9.020 67 HB3 ASN 8 HB1 ASN 8 13.647 17.894 -7.766 68 HD21 ASN 8 HD21 ASN 8 14.693 16.470 -6.281 69 HD22 ASN 8 HD22 ASN 8 14.943 14.810 -6.678 70 H ASN 9 HN ASN 9 11.259 18.374 -9.376 71 HA ASN 9 HA ASN 9 10.511 21.012 -8.381 72 HB2 ASN 9 HB2 ASN 9 12.090 20.727 -10.331 73 HB3 ASN 9 HB1 ASN 9 10.759 20.045 -11.265 74 HD21 ASN 9 HD21 ASN 9 12.011 22.954 -9.759 75 HD22 ASN 9 HD22 ASN 9 11.018 24.073 -10.620 76 H GLU 10 HN GLU 10 8.569 20.608 -7.401 77 HA GLU 10 HA GLU 10 6.384 19.148 -8.223 78 HB2 GLU 10 HB2 GLU 10 6.630 20.126 -5.963 79 HB3 GLU 10 HB1 GLU 10 6.404 21.742 -6.629 80 HG2 GLU 10 HG2 GLU 10 4.096 21.074 -7.343 81 HG3 GLU 10 HG1 GLU 10 4.341 19.522 -6.549 82 H GLU 11 HN GLU 11 7.341 22.379 -9.168 83 HA GLU 11 HA GLU 11 5.114 23.478 -10.329 84 HB2 GLU 11 HB2 GLU 11 7.321 24.583 -10.040 85 HB3 GLU 11 HB1 GLU 11 7.972 23.611 -11.348 86 HG2 GLU 11 HG2 GLU 11 6.186 24.686 -12.848 87 HG3 GLU 11 HG1 GLU 11 5.920 25.825 -11.527 88 H LYS 12 HN LYS 12 7.368 21.125 -11.840 89 HA LYS 12 HA LYS 12 6.189 21.194 -14.450 90 HB2 LYS 12 HB2 LYS 12 7.920 19.031 -13.207 91 HB3 LYS 12 HB1 LYS 12 7.534 19.177 -14.922 92 HG2 LYS 12 HG2 LYS 12 8.631 21.644 -14.464 93 HG3 LYS 12 HG1 LYS 12 9.488 20.698 -13.251 94 HD2 LYS 12 HD2 LYS 12 10.808 20.757 -15.281 95 HD3 LYS 12 HD1 LYS 12 10.205 19.113 -15.041 96 HE2 LYS 12 HE2 LYS 12 8.393 19.552 -16.678 97 HE3 LYS 12 HE1 LYS 12 9.018 21.185 -16.927 98 HZ1 LYS 12 HZ1 LYS 12 10.473 18.667 -17.501 99 HZ2 LYS 12 HZ2 LYS 12 11.055 20.231 -17.769 100 HZ3 LYS 12 HZ3 LYS 12 9.727 19.662 -18.646 101 H LEU 13 HN LEU 13 5.657 19.280 -11.592 102 HA LEU 13 HA LEU 13 3.897 17.356 -12.733 103 HB2 LEU 13 HB2 LEU 13 4.299 18.251 -9.869 104 HB3 LEU 13 HB1 LEU 13 3.200 16.969 -10.356 105 HG LEU 13 HG LEU 13 5.274 15.845 -11.431 106 HD11 LEU 13 HD11 LEU 13 7.436 16.275 -10.417 107 HD12 LEU 13 HD12 LEU 13 6.765 17.636 -9.514 108 HD13 LEU 13 HD13 LEU 13 6.856 17.702 -11.278 109 HD21 LEU 13 HD21 LEU 13 5.035 15.984 -8.432 110 HD22 LEU 13 HD22 LEU 13 5.849 14.714 -9.353 111 HD23 LEU 13 HD23 LEU 13 4.111 14.944 -9.519 112 H VAL 14 HN VAL 14 3.442 20.457 -11.114 113 HA VAL 14 HA VAL 14 0.636 20.597 -11.040 114 HB VAL 14 HB VAL 14 2.673 22.861 -11.294 115 HG11 VAL 14 HG11 VAL 14 -0.238 23.013 -10.382 116 HG12 VAL 14 HG12 VAL 14 0.412 23.674 -11.882 117 HG13 VAL 14 HG13 VAL 14 0.921 24.347 -10.334 118 HG21 VAL 14 HG21 VAL 14 2.504 23.043 -8.839 119 HG22 VAL 14 HG22 VAL 14 3.085 21.456 -9.334 120 HG23 VAL 14 HG23 VAL 14 1.415 21.652 -8.805 121 H LYS 15 HN LYS 15 2.982 21.783 -13.458 122 HA LYS 15 HA LYS 15 1.240 22.923 -15.305 123 HB2 LYS 15 HB2 LYS 15 3.990 21.666 -15.682 124 HB3 LYS 15 HB1 LYS 15 3.147 22.517 -16.978 125 HG2 LYS 15 HG2 LYS 15 3.155 24.580 -15.658 126 HG3 LYS 15 HG1 LYS 15 3.931 23.742 -14.313 127 HD2 LYS 15 HD2 LYS 15 5.932 23.352 -15.648 128 HD3 LYS 15 HD1 LYS 15 5.163 24.054 -17.078 129 HE2 LYS 15 HE2 LYS 15 5.086 26.242 -15.996 130 HE3 LYS 15 HE1 LYS 15 5.733 25.559 -14.503 131 HZ1 LYS 15 HZ1 LYS 15 7.165 25.572 -17.095 132 HZ2 LYS 15 HZ2 LYS 15 7.781 25.086 -15.597 133 HZ3 LYS 15 HZ3 LYS 15 7.395 26.709 -15.866 134 H LYS 16 HN LYS 16 2.635 19.611 -15.306 135 HA LYS 16 HA LYS 16 1.262 18.741 -17.631 136 HB2 LYS 16 HB2 LYS 16 3.305 17.624 -16.786 137 HB3 LYS 16 HB1 LYS 16 2.419 17.073 -15.379 138 HG2 LYS 16 HG2 LYS 16 2.707 15.272 -17.027 139 HG3 LYS 16 HG1 LYS 16 1.010 15.636 -16.751 140 HD2 LYS 16 HD2 LYS 16 1.236 15.263 -19.094 141 HD3 LYS 16 HD1 LYS 16 1.044 17.003 -18.902 142 HE2 LYS 16 HE2 LYS 16 3.763 15.683 -19.220 143 HE3 LYS 16 HE1 LYS 16 2.796 16.218 -20.592 144 HZ1 LYS 16 HZ1 LYS 16 4.418 17.858 -19.951 145 HZ2 LYS 16 HZ2 LYS 16 3.777 17.956 -18.400 146 HZ3 LYS 16 HZ3 LYS 16 2.855 18.452 -19.721 147 H ALA 17 HN ALA 17 0.353 18.825 -14.236 148 HA ALA 17 HA ALA 17 -2.031 17.243 -14.504 149 HB1 ALA 17 HB1 ALA 17 -2.602 18.074 -12.273 150 HB2 ALA 17 HB2 ALA 17 -1.294 19.259 -12.370 151 HB3 ALA 17 HB3 ALA 17 -0.921 17.536 -12.340 152 H LEU 18 HN LEU 18 -1.245 20.659 -14.965 153 HA LEU 18 HA LEU 18 -3.946 21.588 -15.292 154 HB2 LEU 18 HB2 LEU 18 -1.413 22.823 -16.464 155 HB3 LEU 18 HB1 LEU 18 -2.983 23.603 -16.336 156 HG LEU 18 HG LEU 18 -1.083 22.910 -14.077 157 HD11 LEU 18 HD11 LEU 18 -1.040 25.321 -13.656 158 HD12 LEU 18 HD12 LEU 18 -2.114 25.593 -15.033 159 HD13 LEU 18 HD13 LEU 18 -0.493 24.939 -15.288 160 HD21 LEU 18 HD21 LEU 18 -3.333 22.403 -13.307 161 HD22 LEU 18 HD22 LEU 18 -3.903 23.992 -13.827 162 HD23 LEU 18 HD23 LEU 18 -2.727 23.854 -12.517 163 H GLU 19 HN GLU 19 -1.511 20.147 -17.355 164 HA GLU 19 HA GLU 19 -2.788 20.664 -19.868 165 HB2 GLU 19 HB2 GLU 19 -0.579 18.703 -19.124 166 HB3 GLU 19 HB1 GLU 19 -1.084 19.056 -20.779 167 HG2 GLU 19 HG2 GLU 19 -0.356 21.371 -20.562 168 HG3 GLU 19 HG1 GLU 19 -0.009 21.141 -18.853 169 H ILE 20 HN ILE 20 -2.532 17.780 -17.785 170 HA ILE 20 HA ILE 20 -4.202 16.157 -19.479 171 HB ILE 20 HB ILE 20 -3.340 15.553 -16.615 172 HG12 ILE 20 HG12 ILE 20 -1.320 15.820 -17.999 173 HG13 ILE 20 HG11 ILE 20 -1.538 14.120 -17.612 174 HG21 ILE 20 HG21 ILE 20 -4.403 13.699 -18.777 175 HG22 ILE 20 HG22 ILE 20 -5.255 14.194 -17.316 176 HG23 ILE 20 HG23 ILE 20 -3.816 13.181 -17.191 177 HD11 ILE 20 HD11 ILE 20 -2.186 15.446 -20.253 178 HD12 ILE 20 HD12 ILE 20 -2.430 13.738 -19.871 179 HD13 ILE 20 HD13 ILE 20 -0.803 14.413 -19.895 180 H GLY 21 HN GLY 21 -4.599 17.625 -16.230 181 HA2 GLY 21 HA2 GLY 21 -7.320 17.028 -15.846 182 HA3 GLY 21 HA1 GLY 21 -6.440 18.329 -15.062 183 H GLY 22 HN GLY 22 -5.734 19.710 -17.514 184 HA2 GLY 22 HA2 GLY 22 -8.073 21.312 -17.910 185 HA3 GLY 22 HA1 GLY 22 -6.533 21.492 -18.730 186 H LYS 23 HN LYS 23 -6.293 18.995 -20.017 187 HA LYS 23 HA LYS 23 -7.974 19.388 -22.307 188 HB2 LYS 23 HB2 LYS 23 -6.903 17.466 -23.332 189 HB3 LYS 23 HB1 LYS 23 -5.662 18.404 -22.511 190 HG2 LYS 23 HG2 LYS 23 -5.412 16.805 -20.791 191 HG3 LYS 23 HG1 LYS 23 -6.942 16.028 -21.160 192 HD2 LYS 23 HD2 LYS 23 -5.966 15.228 -23.314 193 HD3 LYS 23 HD1 LYS 23 -4.405 15.899 -22.818 194 HE2 LYS 23 HE2 LYS 23 -4.402 14.402 -20.842 195 HE3 LYS 23 HE1 LYS 23 -5.970 13.756 -21.327 196 HZ1 LYS 23 HZ1 LYS 23 -4.897 12.979 -23.391 197 HZ2 LYS 23 HZ2 LYS 23 -4.277 12.255 -21.996 198 HZ3 LYS 23 HZ3 LYS 23 -3.402 13.472 -22.773 199 H MET 24 HN MET 24 -8.023 17.159 -19.564 200 HA MET 24 HA MET 24 -10.053 15.432 -20.558 201 HB2 MET 24 HB2 MET 24 -8.985 15.877 -17.759 202 HB3 MET 24 HB1 MET 24 -10.288 14.735 -18.092 203 HG2 MET 24 HG2 MET 24 -8.718 13.570 -19.694 204 HG3 MET 24 HG1 MET 24 -7.436 14.619 -19.095 205 HE1 MET 24 HE1 MET 24 -8.933 14.571 -15.916 206 HE2 MET 24 HE2 MET 24 -7.207 14.817 -16.215 207 HE3 MET 24 HE3 MET 24 -7.749 13.497 -15.171 208 H ALA 25 HN ALA 25 -10.097 18.183 -18.257 209 HA ALA 25 HA ALA 25 -12.829 18.353 -17.746 210 HB1 ALA 25 HB1 ALA 25 -10.866 20.667 -18.024 211 HB2 ALA 25 HB2 ALA 25 -11.170 19.733 -16.556 212 HB3 ALA 25 HB3 ALA 25 -12.445 20.746 -17.238 213 H LYS 26 HN LYS 26 -10.937 19.746 -20.374 214 HA LYS 26 HA LYS 26 -12.835 21.188 -21.765 215 HB2 LYS 26 HB2 LYS 26 -10.394 21.212 -22.218 216 HB3 LYS 26 HB1 LYS 26 -10.507 19.603 -22.917 217 HG2 LYS 26 HG2 LYS 26 -12.028 20.549 -24.684 218 HG3 LYS 26 HG1 LYS 26 -11.739 22.154 -24.009 219 HD2 LYS 26 HD2 LYS 26 -10.266 21.844 -25.925 220 HD3 LYS 26 HD1 LYS 26 -9.281 21.863 -24.460 221 HE2 LYS 26 HE2 LYS 26 -8.533 20.092 -26.000 222 HE3 LYS 26 HE1 LYS 26 -9.163 19.386 -24.511 223 HZ1 LYS 26 HZ1 LYS 26 -11.273 18.991 -25.693 224 HZ2 LYS 26 HZ2 LYS 26 -9.970 18.179 -26.397 225 HZ3 LYS 26 HZ3 LYS 26 -10.578 19.579 -27.118 226 H MET 27 HN MET 27 -11.799 17.827 -22.361 227 HA MET 27 HA MET 27 -13.634 17.155 -24.381 228 HB2 MET 27 HB2 MET 27 -12.161 15.345 -22.425 229 HB3 MET 27 HB1 MET 27 -13.053 14.761 -23.827 230 HG2 MET 27 HG2 MET 27 -11.533 16.047 -25.304 231 HG3 MET 27 HG1 MET 27 -10.619 16.561 -23.889 232 HE1 MET 27 HE1 MET 27 -9.273 14.740 -22.280 233 HE2 MET 27 HE2 MET 27 -9.213 13.018 -22.662 234 HE3 MET 27 HE3 MET 27 -10.732 13.753 -22.158 235 H GLN 28 HN GLN 28 -13.852 16.752 -20.856 236 HA GLN 28 HA GLN 28 -16.245 15.241 -20.751 237 HB2 GLN 28 HB2 GLN 28 -14.979 17.052 -18.655 238 HB3 GLN 28 HB1 GLN 28 -16.344 15.986 -18.332 239 HG2 GLN 28 HG2 GLN 28 -13.569 15.087 -19.198 240 HG3 GLN 28 HG1 GLN 28 -14.174 15.054 -17.542 241 HE21 GLN 28 HE21 GLN 28 -14.361 13.570 -20.720 242 HE22 GLN 28 HE22 GLN 28 -15.209 12.150 -20.220 243 H GLY 29 HN GLY 29 -15.588 18.651 -21.094 244 HA2 GLY 29 HA2 GLY 29 -17.257 19.745 -22.561 245 HA3 GLY 29 HA1 GLY 29 -18.506 19.162 -21.467 246 H PHE 30 HN PHE 30 -15.327 20.743 -21.024 247 HA PHE 30 HA PHE 30 -16.634 22.964 -19.529 248 HB2 PHE 30 HB2 PHE 30 -14.312 21.299 -18.417 249 HB3 PHE 30 HB1 PHE 30 -14.960 22.758 -17.683 250 HD1 PHE 30 HD1 PHE 30 -17.289 22.735 -16.702 251 HD2 PHE 30 HD2 PHE 30 -15.354 19.152 -18.017 252 HE1 PHE 30 HE1 PHE 30 -18.870 21.386 -15.383 253 HE2 PHE 30 HE2 PHE 30 -16.945 17.815 -16.694 254 HZ PHE 30 HZ PHE 30 -18.699 18.933 -15.376 255 H ASP 31 HN ASP 31 -15.251 24.838 -19.283 256 HA ASP 31 HA ASP 31 -12.575 24.764 -20.465 257 HB2 ASP 31 HB2 ASP 31 -12.870 26.834 -21.761 258 HB3 ASP 31 HB1 ASP 31 -13.986 25.601 -22.322 259 H LEU 32 HN LEU 32 -11.376 25.252 -18.804 260 HA LEU 32 HA LEU 32 -12.355 26.654 -16.483 261 HB2 LEU 32 HB2 LEU 32 -9.571 25.555 -17.080 262 HB3 LEU 32 HB1 LEU 32 -10.170 26.048 -15.500 263 HG LEU 32 HG LEU 32 -11.249 23.697 -17.126 264 HD11 LEU 32 HD11 LEU 32 -10.192 22.235 -15.466 265 HD12 LEU 32 HD12 LEU 32 -9.483 23.636 -14.658 266 HD13 LEU 32 HD13 LEU 32 -8.996 23.221 -16.303 267 HD21 LEU 32 HD21 LEU 32 -12.536 23.102 -15.102 268 HD22 LEU 32 HD22 LEU 32 -13.010 24.680 -15.722 269 HD23 LEU 32 HD23 LEU 32 -11.971 24.570 -14.298 270 HA PRO 33 HA PRO 33 -10.894 30.755 -17.628 271 HB2 PRO 33 HB2 PRO 33 -10.296 31.836 -15.148 272 HB3 PRO 33 HB1 PRO 33 -11.945 31.638 -15.757 273 HG2 PRO 33 HG2 PRO 33 -10.382 29.855 -13.892 274 HG3 PRO 33 HG1 PRO 33 -12.065 30.413 -13.757 275 HD2 PRO 33 HD2 PRO 33 -11.482 27.940 -14.669 276 HD3 PRO 33 HD1 PRO 33 -12.839 28.870 -15.348 277 H GLN 34 HN GLN 34 -9.015 30.976 -18.662 278 HA GLN 34 HA GLN 34 -6.481 30.005 -17.502 279 HB2 GLN 34 HB2 GLN 34 -7.116 30.787 -20.381 280 HB3 GLN 34 HB1 GLN 34 -5.640 30.010 -19.814 281 HG2 GLN 34 HG2 GLN 34 -8.419 28.769 -19.802 282 HG3 GLN 34 HG1 GLN 34 -7.146 28.439 -20.974 283 HE21 GLN 34 HE21 GLN 34 -8.243 27.894 -17.691 284 HE22 GLN 34 HE22 GLN 34 -7.152 26.604 -17.332 285 H SER 35 HN SER 35 -8.098 32.913 -17.675 286 HA SER 35 HA SER 35 -6.242 34.580 -19.003 287 HB2 SER 35 HB2 SER 35 -8.513 35.412 -17.169 288 HB3 SER 35 HB1 SER 35 -7.655 36.464 -18.297 289 HG SER 35 HG SER 35 -9.579 35.699 -19.224 290 HA PRO 36 HA PRO 36 -4.626 36.485 -14.935 291 HB2 PRO 36 HB2 PRO 36 -5.363 35.703 -12.448 292 HB3 PRO 36 HB1 PRO 36 -6.362 36.802 -13.407 293 HG2 PRO 36 HG2 PRO 36 -6.651 33.834 -13.003 294 HG3 PRO 36 HG1 PRO 36 -7.900 35.091 -12.927 295 HD2 PRO 36 HD2 PRO 36 -7.492 33.524 -15.159 296 HD3 PRO 36 HD1 PRO 36 -8.119 35.186 -15.251 297 H GLN 37 HN GLN 37 -5.102 32.989 -14.697 298 HA GLN 37 HA GLN 37 -3.552 31.415 -15.218 299 HB2 GLN 37 HB2 GLN 37 -1.376 33.198 -14.103 300 HB3 GLN 37 HB1 GLN 37 -1.105 31.550 -14.662 301 HG2 GLN 37 HG2 GLN 37 -1.738 32.161 -16.924 302 HG3 GLN 37 HG1 GLN 37 -2.207 33.778 -16.396 303 HE21 GLN 37 HE21 GLN 37 -0.231 32.966 -18.406 304 HE22 GLN 37 HE22 GLN 37 1.267 33.672 -17.915 305 HA PRO 38 HA PRO 38 -2.385 30.178 -10.572 306 HB2 PRO 38 HB2 PRO 38 -3.979 32.238 -9.055 307 HB3 PRO 38 HB1 PRO 38 -2.437 31.472 -8.642 308 HG2 PRO 38 HG2 PRO 38 -2.497 33.986 -9.533 309 HG3 PRO 38 HG1 PRO 38 -1.207 32.876 -10.053 310 HD2 PRO 38 HD2 PRO 38 -3.660 33.775 -11.547 311 HD3 PRO 38 HD1 PRO 38 -2.004 33.531 -12.142 312 H VAL 39 HN VAL 39 -5.484 31.582 -11.441 313 HA VAL 39 HA VAL 39 -7.186 29.948 -9.881 314 HB VAL 39 HB VAL 39 -9.027 30.731 -11.258 315 HG11 VAL 39 HG11 VAL 39 -8.164 32.314 -9.609 316 HG12 VAL 39 HG12 VAL 39 -8.740 33.182 -11.034 317 HG13 VAL 39 HG13 VAL 39 -7.008 32.950 -10.782 318 HG21 VAL 39 HG21 VAL 39 -8.071 30.459 -13.503 319 HG22 VAL 39 HG22 VAL 39 -6.940 31.783 -13.215 320 HG23 VAL 39 HG23 VAL 39 -8.672 32.107 -13.306 321 H ARG 40 HN ARG 40 -5.554 29.380 -12.923 322 HA ARG 40 HA ARG 40 -7.086 27.294 -14.047 323 HB2 ARG 40 HB2 ARG 40 -4.055 27.672 -14.122 324 HB3 ARG 40 HB1 ARG 40 -4.955 26.580 -15.175 325 HG2 ARG 40 HG2 ARG 40 -6.069 28.456 -16.243 326 HG3 ARG 40 HG1 ARG 40 -5.326 29.593 -15.113 327 HD2 ARG 40 HD2 ARG 40 -4.200 29.593 -17.319 328 HD3 ARG 40 HD1 ARG 40 -3.109 29.097 -16.020 329 HE ARG 40 HE ARG 40 -4.137 26.749 -17.003 330 HH11 ARG 40 HH11 ARG 40 -2.408 29.417 -18.489 331 HH12 ARG 40 HH12 ARG 40 -1.619 28.406 -19.651 332 HH21 ARG 40 HH21 ARG 40 -3.105 25.443 -18.516 333 HH22 ARG 40 HH22 ARG 40 -2.021 26.144 -19.677 334 H VAL 41 HN VAL 41 -4.445 27.296 -11.727 335 HA VAL 41 HA VAL 41 -4.036 24.545 -11.384 336 HB VAL 41 HB VAL 41 -3.526 26.858 -9.446 337 HG11 VAL 41 HG11 VAL 41 -3.493 24.703 -8.254 338 HG12 VAL 41 HG12 VAL 41 -1.889 25.418 -8.321 339 HG13 VAL 41 HG13 VAL 41 -2.302 24.078 -9.392 340 HG21 VAL 41 HG21 VAL 41 -1.644 25.531 -11.447 341 HG22 VAL 41 HG22 VAL 41 -1.213 26.834 -10.333 342 HG23 VAL 41 HG23 VAL 41 -2.380 27.128 -11.623 343 H LYS 42 HN LYS 42 -6.041 26.834 -9.579 344 HA LYS 42 HA LYS 42 -7.034 24.953 -7.664 345 HB2 LYS 42 HB2 LYS 42 -6.758 27.549 -7.489 346 HB3 LYS 42 HB1 LYS 42 -8.314 27.639 -8.297 347 HG2 LYS 42 HG2 LYS 42 -7.911 26.100 -5.712 348 HG3 LYS 42 HG1 LYS 42 -8.267 27.827 -5.722 349 HD2 LYS 42 HD2 LYS 42 -10.050 25.603 -6.812 350 HD3 LYS 42 HD1 LYS 42 -10.311 26.528 -5.329 351 HE2 LYS 42 HE2 LYS 42 -10.350 27.647 -8.161 352 HE3 LYS 42 HE1 LYS 42 -11.760 27.342 -7.146 353 HZ1 LYS 42 HZ1 LYS 42 -9.608 29.315 -6.624 354 HZ2 LYS 42 HZ2 LYS 42 -10.879 28.976 -5.567 355 HZ3 LYS 42 HZ3 LYS 42 -11.199 29.650 -7.083 356 H ALA 43 HN ALA 43 -8.163 26.135 -10.772 357 HA ALA 43 HA ALA 43 -10.843 25.149 -10.669 358 HB1 ALA 43 HB1 ALA 43 -9.163 25.871 -13.097 359 HB2 ALA 43 HB2 ALA 43 -10.182 26.983 -12.181 360 HB3 ALA 43 HB3 ALA 43 -10.916 25.652 -13.078 361 H VAL 44 HN VAL 44 -7.826 23.909 -12.067 362 HA VAL 44 HA VAL 44 -8.779 21.505 -13.185 363 HB VAL 44 HB VAL 44 -6.004 22.284 -12.171 364 HG11 VAL 44 HG11 VAL 44 -6.177 19.828 -11.983 365 HG12 VAL 44 HG12 VAL 44 -5.095 20.272 -13.303 366 HG13 VAL 44 HG13 VAL 44 -6.738 19.724 -13.653 367 HG21 VAL 44 HG21 VAL 44 -7.084 21.928 -14.999 368 HG22 VAL 44 HG22 VAL 44 -5.436 22.407 -14.573 369 HG23 VAL 44 HG23 VAL 44 -6.788 23.471 -14.192 370 H TYR 45 HN TYR 45 -7.411 22.270 -9.992 371 HA TYR 45 HA TYR 45 -7.552 19.819 -8.716 372 HB2 TYR 45 HB2 TYR 45 -6.486 21.567 -7.559 373 HB3 TYR 45 HB1 TYR 45 -7.827 22.677 -7.777 374 HD1 TYR 45 HD1 TYR 45 -6.666 19.721 -5.808 375 HD2 TYR 45 HD2 TYR 45 -9.586 22.827 -6.161 376 HE1 TYR 45 HE1 TYR 45 -7.498 19.215 -3.547 377 HE2 TYR 45 HE2 TYR 45 -10.400 22.320 -3.912 378 HH TYR 45 HH TYR 45 -10.430 20.566 -2.350 379 H LEU 46 HN LEU 46 -10.146 22.305 -8.905 380 HA LEU 46 HA LEU 46 -12.130 20.956 -7.433 381 HB2 LEU 46 HB2 LEU 46 -12.496 22.936 -9.721 382 HB3 LEU 46 HB1 LEU 46 -13.780 22.419 -8.634 383 HG LEU 46 HG LEU 46 -11.318 24.031 -7.865 384 HD11 LEU 46 HD11 LEU 46 -14.234 24.840 -7.995 385 HD12 LEU 46 HD12 LEU 46 -12.945 25.352 -9.090 386 HD13 LEU 46 HD13 LEU 46 -12.908 25.844 -7.400 387 HD21 LEU 46 HD21 LEU 46 -12.305 24.206 -5.607 388 HD22 LEU 46 HD22 LEU 46 -11.886 22.545 -6.013 389 HD23 LEU 46 HD23 LEU 46 -13.573 23.066 -6.069 390 H PHE 47 HN PHE 47 -11.410 20.930 -10.905 391 HA PHE 47 HA PHE 47 -13.453 19.217 -11.786 392 HB2 PHE 47 HB2 PHE 47 -12.281 20.361 -13.506 393 HB3 PHE 47 HB1 PHE 47 -10.704 19.884 -12.884 394 HD1 PHE 47 HD1 PHE 47 -13.831 18.292 -14.300 395 HD2 PHE 47 HD2 PHE 47 -9.562 18.177 -14.010 396 HE1 PHE 47 HE1 PHE 47 -13.770 16.350 -15.814 397 HE2 PHE 47 HE2 PHE 47 -9.510 16.257 -15.525 398 HZ PHE 47 HZ PHE 47 -11.615 15.329 -16.432 399 H LEU 48 HN LEU 48 -10.125 18.442 -10.726 400 HA LEU 48 HA LEU 48 -10.221 15.686 -11.242 401 HB2 LEU 48 HB2 LEU 48 -8.449 17.216 -9.318 402 HB3 LEU 48 HB1 LEU 48 -8.210 15.529 -9.751 403 HG LEU 48 HG LEU 48 -7.921 17.942 -11.587 404 HD11 LEU 48 HD11 LEU 48 -6.057 17.616 -10.047 405 HD12 LEU 48 HD12 LEU 48 -5.570 17.292 -11.707 406 HD13 LEU 48 HD13 LEU 48 -5.866 15.949 -10.598 407 HD21 LEU 48 HD21 LEU 48 -7.618 15.015 -12.339 408 HD22 LEU 48 HD22 LEU 48 -7.228 16.398 -13.365 409 HD23 LEU 48 HD23 LEU 48 -8.895 16.104 -12.888 410 H VAL 49 HN VAL 49 -11.007 17.520 -8.298 411 HA VAL 49 HA VAL 49 -11.374 15.264 -6.586 412 HB VAL 49 HB VAL 49 -12.517 18.084 -6.315 413 HG11 VAL 49 HG11 VAL 49 -12.386 15.858 -4.237 414 HG12 VAL 49 HG12 VAL 49 -13.849 16.516 -4.974 415 HG13 VAL 49 HG13 VAL 49 -12.871 17.526 -3.909 416 HG21 VAL 49 HG21 VAL 49 -10.054 16.834 -5.028 417 HG22 VAL 49 HG22 VAL 49 -10.667 18.458 -4.700 418 HG23 VAL 49 HG23 VAL 49 -10.052 18.056 -6.303 419 H ASP 50 HN ASP 50 -13.553 17.215 -8.604 420 HA ASP 50 HA ASP 50 -16.015 15.910 -8.013 421 HB2 ASP 50 HB2 ASP 50 -15.912 18.143 -9.068 422 HB3 ASP 50 HB1 ASP 50 -15.133 17.470 -10.491 423 H ALA 51 HN ALA 51 -13.460 15.294 -10.327 424 HA ALA 51 HA ALA 51 -14.910 13.255 -11.817 425 HB1 ALA 51 HB1 ALA 51 -12.100 14.363 -12.170 426 HB2 ALA 51 HB2 ALA 51 -13.539 14.932 -13.015 427 HB3 ALA 51 HB3 ALA 51 -12.943 13.297 -13.303 428 H LYS 52 HN LYS 52 -13.415 13.234 -8.916 429 HA LYS 52 HA LYS 52 -12.773 11.616 -7.479 430 HB2 LYS 52 HB2 LYS 52 -13.669 9.655 -9.629 431 HB3 LYS 52 HB1 LYS 52 -13.413 9.271 -7.926 432 HG2 LYS 52 HG2 LYS 52 -15.541 11.125 -9.066 433 HG3 LYS 52 HG1 LYS 52 -15.800 9.508 -8.394 434 HD2 LYS 52 HD2 LYS 52 -15.074 10.309 -6.171 435 HD3 LYS 52 HD1 LYS 52 -14.758 11.913 -6.838 436 HE2 LYS 52 HE2 LYS 52 -17.134 12.220 -7.318 437 HE3 LYS 52 HE1 LYS 52 -17.487 10.580 -6.766 438 HZ1 LYS 52 HZ1 LYS 52 -16.703 11.206 -4.565 439 HZ2 LYS 52 HZ2 LYS 52 -17.991 12.179 -5.063 440 HZ3 LYS 52 HZ3 LYS 52 -16.413 12.785 -5.101 441 H GLN 53 HN GLN 53 -10.948 12.619 -9.618 442 HA GLN 53 HA GLN 53 -8.902 10.671 -10.050 443 HB2 GLN 53 HB2 GLN 53 -8.754 13.715 -10.169 444 HB3 GLN 53 HB1 GLN 53 -7.585 12.598 -10.864 445 HG2 GLN 53 HG2 GLN 53 -10.479 12.874 -11.731 446 HG3 GLN 53 HG1 GLN 53 -9.099 13.599 -12.550 447 HE21 GLN 53 HE21 GLN 53 -11.101 11.664 -13.518 448 HE22 GLN 53 HE22 GLN 53 -10.196 10.308 -14.086 449 H ILE 54 HN ILE 54 -9.471 13.313 -7.747 450 HA ILE 54 HA ILE 54 -7.593 12.110 -5.811 451 HB ILE 54 HB ILE 54 -6.868 14.423 -5.053 452 HG12 ILE 54 HG12 ILE 54 -8.087 15.333 -7.706 453 HG13 ILE 54 HG11 ILE 54 -8.698 15.739 -6.109 454 HG21 ILE 54 HG21 ILE 54 -6.021 13.684 -7.867 455 HG22 ILE 54 HG22 ILE 54 -5.347 13.036 -6.371 456 HG23 ILE 54 HG23 ILE 54 -5.134 14.742 -6.766 457 HD11 ILE 54 HD11 ILE 54 -6.640 17.007 -5.663 458 HD12 ILE 54 HD12 ILE 54 -7.505 17.599 -7.082 459 HD13 ILE 54 HD13 ILE 54 -6.060 16.610 -7.283 460 H ALA 55 HN ALA 55 -7.972 12.898 -3.618 461 HA ALA 55 HA ALA 55 -10.757 13.509 -2.955 462 HB1 ALA 55 HB1 ALA 55 -8.371 12.833 -1.170 463 HB2 ALA 55 HB2 ALA 55 -9.614 11.702 -1.702 464 HB3 ALA 55 HB3 ALA 55 -10.044 13.028 -0.623 465 HA PRO 56 HA PRO 56 -9.884 17.855 -2.384 466 HB2 PRO 56 HB2 PRO 56 -11.638 18.635 -0.464 467 HB3 PRO 56 HB1 PRO 56 -12.185 18.079 -2.054 468 HG2 PRO 56 HG2 PRO 56 -12.002 16.524 0.532 469 HG3 PRO 56 HG1 PRO 56 -13.364 16.627 -0.606 470 HD2 PRO 56 HD2 PRO 56 -11.627 14.539 -0.634 471 HD3 PRO 56 HD1 PRO 56 -12.373 15.153 -2.127 472 H LEU 57 HN LEU 57 -9.522 19.566 -0.644 473 HA LEU 57 HA LEU 57 -7.689 18.666 1.484 474 HB2 LEU 57 HB2 LEU 57 -7.992 21.317 0.007 475 HB3 LEU 57 HB1 LEU 57 -6.899 21.083 1.365 476 HG LEU 57 HG LEU 57 -6.687 19.525 -1.248 477 HD11 LEU 57 HD11 LEU 57 -4.814 20.994 -1.850 478 HD12 LEU 57 HD12 LEU 57 -5.122 21.991 -0.426 479 HD13 LEU 57 HD13 LEU 57 -6.322 21.899 -1.717 480 HD21 LEU 57 HD21 LEU 57 -4.729 19.829 1.063 481 HD22 LEU 57 HD22 LEU 57 -4.435 18.939 -0.435 482 HD23 LEU 57 HD23 LEU 57 -5.677 18.387 0.684 483 HA PRO 58 HA PRO 58 -10.601 20.636 4.473 484 HB2 PRO 58 HB2 PRO 58 -8.813 21.517 6.378 485 HB3 PRO 58 HB1 PRO 58 -9.326 19.830 6.245 486 HG2 PRO 58 HG2 PRO 58 -6.822 21.137 5.187 487 HG3 PRO 58 HG1 PRO 58 -6.999 19.594 6.051 488 HD2 PRO 58 HD2 PRO 58 -6.733 19.681 3.358 489 HD3 PRO 58 HD1 PRO 58 -7.765 18.468 4.151 490 H ASP 59 HN ASP 59 -11.095 22.804 5.235 491 HA ASP 59 HA ASP 59 -10.802 24.772 3.260 492 HB2 ASP 59 HB2 ASP 59 -12.738 24.652 4.804 493 HB3 ASP 59 HB1 ASP 59 -11.705 25.078 6.161 494 H SER 60 HN SER 60 -9.066 24.267 6.282 495 HA SER 60 HA SER 60 -7.562 26.640 6.425 496 HB2 SER 60 HB2 SER 60 -6.794 23.842 7.365 497 HB3 SER 60 HB1 SER 60 -6.058 25.349 7.914 498 HG SER 60 HG SER 60 -7.963 25.913 8.895 499 H LYS 61 HN LYS 61 -6.915 23.556 4.746 500 HA LYS 61 HA LYS 61 -4.357 24.535 3.672 501 HB2 LYS 61 HB2 LYS 61 -5.597 21.764 3.812 502 HB3 LYS 61 HB1 LYS 61 -4.205 22.099 2.789 503 HG2 LYS 61 HG2 LYS 61 -3.389 21.162 4.838 504 HG3 LYS 61 HG1 LYS 61 -2.940 22.868 4.802 505 HD2 LYS 61 HD2 LYS 61 -4.967 23.325 6.277 506 HD3 LYS 61 HD1 LYS 61 -5.166 21.577 6.429 507 HE2 LYS 61 HE2 LYS 61 -2.877 21.446 7.394 508 HE3 LYS 61 HE1 LYS 61 -2.761 23.203 7.288 509 HZ1 LYS 61 HZ1 LYS 61 -3.408 22.345 9.507 510 HZ2 LYS 61 HZ2 LYS 61 -4.852 21.782 8.835 511 HZ3 LYS 61 HZ3 LYS 61 -4.516 23.438 8.848 512 H LEU 62 HN LEU 62 -7.383 25.020 2.783 513 HA LEU 62 HA LEU 62 -7.111 24.463 -0.071 514 HB2 LEU 62 HB2 LEU 62 -9.348 24.866 1.517 515 HB3 LEU 62 HB1 LEU 62 -9.175 26.456 0.813 516 HG LEU 62 HG LEU 62 -10.756 25.143 -0.497 517 HD11 LEU 62 HD11 LEU 62 -9.379 26.736 -1.756 518 HD12 LEU 62 HD12 LEU 62 -9.821 25.344 -2.739 519 HD13 LEU 62 HD13 LEU 62 -8.189 25.468 -2.077 520 HD21 LEU 62 HD21 LEU 62 -10.106 23.072 -1.662 521 HD22 LEU 62 HD22 LEU 62 -9.996 22.904 0.088 522 HD23 LEU 62 HD23 LEU 62 -8.525 23.119 -0.868 523 H ASP 63 HN ASP 63 -5.098 25.396 -0.268 524 HA ASP 63 HA ASP 63 -4.978 28.288 -0.761 525 HB2 ASP 63 HB2 ASP 63 -4.017 28.167 1.447 526 HB3 ASP 63 HB1 ASP 63 -3.162 26.675 1.092 527 H GLY 64 HN GLY 64 -3.399 28.790 -2.360 528 HA2 GLY 64 HA2 GLY 64 -3.450 27.159 -4.580 529 HA3 GLY 64 HA1 GLY 64 -2.376 28.524 -4.374 530 H ALA 65 HN ALA 65 -0.816 27.426 -2.195 531 HA ALA 65 HA ALA 65 1.120 25.916 -3.672 532 HB1 ALA 65 HB1 ALA 65 2.367 25.840 -1.554 533 HB2 ALA 65 HB2 ALA 65 0.946 26.414 -0.676 534 HB3 ALA 65 HB3 ALA 65 1.728 27.464 -1.854 535 H ASN 66 HN ASN 66 -1.338 25.055 -1.259 536 HA ASN 66 HA ASN 66 -0.632 22.271 -1.016 537 HB2 ASN 66 HB2 ASN 66 -3.194 23.727 -0.235 538 HB3 ASN 66 HB1 ASN 66 -2.774 22.079 0.234 539 HD21 ASN 66 HD21 ASN 66 -1.921 25.474 0.647 540 HD22 ASN 66 HD22 ASN 66 -1.069 25.267 2.130 541 H ILE 67 HN ILE 67 -2.888 24.129 -2.966 542 HA ILE 67 HA ILE 67 -4.338 22.062 -4.217 543 HB ILE 67 HB ILE 67 -3.524 24.798 -5.321 544 HG12 ILE 67 HG12 ILE 67 -4.873 24.946 -3.213 545 HG13 ILE 67 HG11 ILE 67 -5.735 25.614 -4.592 546 HG21 ILE 67 HG21 ILE 67 -4.175 23.315 -7.139 547 HG22 ILE 67 HG22 ILE 67 -5.409 24.550 -6.901 548 HG23 ILE 67 HG23 ILE 67 -5.676 22.910 -6.309 549 HD11 ILE 67 HD11 ILE 67 -6.192 22.895 -3.379 550 HD12 ILE 67 HD12 ILE 67 -7.077 23.597 -4.739 551 HD13 ILE 67 HD13 ILE 67 -7.185 24.332 -3.137 552 H LYS 68 HN LYS 68 -1.362 23.771 -5.177 553 HA LYS 68 HA LYS 68 -0.683 22.402 -7.517 554 HB2 LYS 68 HB2 LYS 68 1.041 23.790 -5.423 555 HB3 LYS 68 HB1 LYS 68 1.708 23.156 -6.924 556 HG2 LYS 68 HG2 LYS 68 0.282 24.666 -8.229 557 HG3 LYS 68 HG1 LYS 68 -0.456 25.274 -6.745 558 HD2 LYS 68 HD2 LYS 68 1.794 26.120 -6.032 559 HD3 LYS 68 HD1 LYS 68 2.449 25.600 -7.589 560 HE2 LYS 68 HE2 LYS 68 0.923 27.155 -8.753 561 HE3 LYS 68 HE1 LYS 68 0.232 27.649 -7.205 562 HZ1 LYS 68 HZ1 LYS 68 2.387 28.519 -6.564 563 HZ2 LYS 68 HZ2 LYS 68 1.861 29.234 -8.004 564 HZ3 LYS 68 HZ3 LYS 68 3.058 28.037 -8.041 565 H HIS 69 HN HIS 69 -0.152 21.615 -4.150 566 HA HIS 69 HA HIS 69 1.636 19.441 -4.462 567 HB2 HIS 69 HB2 HIS 69 1.186 20.786 -2.345 568 HB3 HIS 69 HB1 HIS 69 -0.316 19.889 -2.168 569 HD1 HIS 69 HD1 HIS 69 -0.081 17.992 -0.597 570 HD2 HIS 69 HD2 HIS 69 3.492 18.803 -2.551 571 HE1 HIS 69 HE1 HIS 69 1.605 16.433 0.412 572 HE2 HIS 69 HE2 HIS 69 3.689 16.787 -0.950 573 H ARG 70 HN ARG 70 -1.921 19.611 -4.165 574 HA ARG 70 HA ARG 70 -2.522 16.854 -4.273 575 HB2 ARG 70 HB2 ARG 70 -4.078 19.364 -4.880 576 HB3 ARG 70 HB1 ARG 70 -4.755 17.839 -5.424 577 HG2 ARG 70 HG2 ARG 70 -4.056 18.526 -2.556 578 HG3 ARG 70 HG1 ARG 70 -5.679 18.518 -3.256 579 HD2 ARG 70 HD2 ARG 70 -5.323 16.063 -3.797 580 HD3 ARG 70 HD1 ARG 70 -3.834 16.133 -2.848 581 HE ARG 70 HE ARG 70 -6.576 16.559 -1.790 582 HH11 ARG 70 HH11 ARG 70 -3.230 15.640 -1.213 583 HH12 ARG 70 HH12 ARG 70 -3.555 15.004 0.365 584 HH21 ARG 70 HH21 ARG 70 -6.988 15.716 0.258 585 HH22 ARG 70 HH22 ARG 70 -5.694 15.058 1.210 586 H LEU 71 HN LEU 71 -2.253 19.252 -6.868 587 HA LEU 71 HA LEU 71 -2.851 17.560 -9.047 588 HB2 LEU 71 HB2 LEU 71 -1.092 20.041 -9.039 589 HB3 LEU 71 HB1 LEU 71 -1.859 19.324 -10.443 590 HG LEU 71 HG LEU 71 -3.178 20.846 -8.178 591 HD11 LEU 71 HD11 LEU 71 -3.993 22.316 -9.930 592 HD12 LEU 71 HD12 LEU 71 -3.216 21.323 -11.169 593 HD13 LEU 71 HD13 LEU 71 -2.235 22.196 -9.986 594 HD21 LEU 71 HD21 LEU 71 -5.374 20.383 -9.197 595 HD22 LEU 71 HD22 LEU 71 -4.615 18.929 -8.559 596 HD23 LEU 71 HD23 LEU 71 -4.617 19.229 -10.299 597 H ALA 72 HN ALA 72 0.110 18.321 -7.351 598 HA ALA 72 HA ALA 72 2.028 17.281 -9.096 599 HB1 ALA 72 HB1 ALA 72 2.576 18.780 -7.217 600 HB2 ALA 72 HB2 ALA 72 3.562 17.316 -7.190 601 HB3 ALA 72 HB3 ALA 72 2.199 17.485 -6.077 602 H LEU 73 HN LEU 73 0.796 15.782 -6.074 603 HA LEU 73 HA LEU 73 2.056 13.280 -6.559 604 HB2 LEU 73 HB2 LEU 73 -0.106 14.070 -4.601 605 HB3 LEU 73 HB1 LEU 73 0.467 12.415 -4.737 606 HG LEU 73 HG LEU 73 2.839 13.391 -4.304 607 HD11 LEU 73 HD11 LEU 73 2.357 15.746 -4.616 608 HD12 LEU 73 HD12 LEU 73 2.935 15.450 -2.976 609 HD13 LEU 73 HD13 LEU 73 1.211 15.721 -3.271 610 HD21 LEU 73 HD21 LEU 73 1.675 11.973 -2.709 611 HD22 LEU 73 HD22 LEU 73 0.799 13.367 -2.069 612 HD23 LEU 73 HD23 LEU 73 2.552 13.258 -1.878 613 H TRP 74 HN TRP 74 -1.055 14.585 -7.513 614 HA TRP 74 HA TRP 74 -2.395 12.228 -8.232 615 HB2 TRP 74 HB2 TRP 74 -3.591 14.358 -8.282 616 HB3 TRP 74 HB1 TRP 74 -2.531 14.979 -9.546 617 HD1 TRP 74 HD1 TRP 74 -4.972 11.949 -9.138 618 HE1 TRP 74 HE1 TRP 74 -6.162 11.583 -11.381 619 HE3 TRP 74 HE3 TRP 74 -2.689 15.605 -11.892 620 HZ2 TRP 74 HZ2 TRP 74 -6.155 12.675 -13.957 621 HZ3 TRP 74 HZ3 TRP 74 -3.340 15.877 -14.251 622 HH2 TRP 74 HH2 TRP 74 -5.042 14.440 -15.259 623 H ILE 75 HN ILE 75 -0.508 14.391 -10.412 624 HA ILE 75 HA ILE 75 -0.593 12.543 -12.591 625 HB ILE 75 HB ILE 75 -0.420 15.038 -12.875 626 HG12 ILE 75 HG12 ILE 75 1.082 14.975 -14.854 627 HG13 ILE 75 HG11 ILE 75 1.791 13.467 -14.298 628 HG21 ILE 75 HG21 ILE 75 2.481 14.659 -12.060 629 HG22 ILE 75 HG22 ILE 75 1.244 15.524 -11.146 630 HG23 ILE 75 HG23 ILE 75 1.779 16.144 -12.709 631 HD11 ILE 75 HD11 ILE 75 0.206 13.118 -16.110 632 HD12 ILE 75 HD12 ILE 75 -1.079 13.864 -15.162 633 HD13 ILE 75 HD13 ILE 75 -0.361 12.339 -14.634 634 H HIS 76 HN HIS 76 1.635 13.098 -9.965 635 HA HIS 76 HA HIS 76 3.989 11.856 -10.875 636 HB2 HIS 76 HB2 HIS 76 3.595 13.253 -8.719 637 HB3 HIS 76 HB1 HIS 76 3.010 11.770 -7.987 638 HD1 HIS 76 HD1 HIS 76 4.810 11.071 -6.419 639 HD2 HIS 76 HD2 HIS 76 6.360 12.377 -10.050 640 HE1 HIS 76 HE1 HIS 76 7.299 10.797 -6.227 641 HE2 HIS 76 HE2 HIS 76 8.186 11.412 -8.502 642 H ALA 77 HN ALA 77 1.208 10.561 -9.060 643 HA ALA 77 HA ALA 77 2.111 7.801 -9.213 644 HB1 ALA 77 HB1 ALA 77 0.901 8.631 -7.236 645 HB2 ALA 77 HB2 ALA 77 0.027 7.300 -7.996 646 HB3 ALA 77 HB3 ALA 77 -0.517 8.964 -8.230 647 H ALA 78 HN ALA 78 0.003 9.908 -11.068 648 HA ALA 78 HA ALA 78 -1.627 7.953 -12.356 649 HB1 ALA 78 HB1 ALA 78 -0.962 10.761 -13.318 650 HB2 ALA 78 HB2 ALA 78 -2.282 10.334 -12.229 651 HB3 ALA 78 HB3 ALA 78 -2.292 9.748 -13.892 652 H LEU 79 HN LEU 79 1.516 9.353 -13.109 653 HA LEU 79 HA LEU 79 1.882 7.961 -15.602 654 HB2 LEU 79 HB2 LEU 79 3.907 9.192 -13.690 655 HB3 LEU 79 HB1 LEU 79 4.279 8.613 -15.310 656 HG LEU 79 HG LEU 79 2.433 10.946 -14.639 657 HD11 LEU 79 HD11 LEU 79 5.210 10.967 -15.858 658 HD12 LEU 79 HD12 LEU 79 4.769 11.511 -14.237 659 HD13 LEU 79 HD13 LEU 79 4.159 12.373 -15.647 660 HD21 LEU 79 HD21 LEU 79 1.644 9.801 -16.657 661 HD22 LEU 79 HD22 LEU 79 3.257 9.883 -17.371 662 HD23 LEU 79 HD23 LEU 79 2.341 11.364 -17.075 663 HA PRO 80 HA PRO 80 2.255 3.931 -13.574 664 HB2 PRO 80 HB2 PRO 80 3.270 2.509 -15.746 665 HB3 PRO 80 HB1 PRO 80 1.561 2.899 -15.517 666 HG2 PRO 80 HG2 PRO 80 3.629 4.330 -17.183 667 HG3 PRO 80 HG1 PRO 80 1.952 3.908 -17.596 668 HD2 PRO 80 HD2 PRO 80 2.595 6.401 -16.839 669 HD3 PRO 80 HD1 PRO 80 1.060 5.666 -16.323 670 H ASP 81 HN ASP 81 5.037 5.235 -15.386 671 HA ASP 81 HA ASP 81 7.007 3.663 -13.960 672 HB2 ASP 81 HB2 ASP 81 7.351 6.097 -15.768 673 HB3 ASP 81 HB1 ASP 81 8.685 5.147 -15.114 674 H ASN 82 HN ASN 82 5.299 6.584 -13.405 675 HA ASN 82 HA ASN 82 5.269 8.190 -11.862 676 HB2 ASN 82 HB2 ASN 82 5.219 6.246 -10.286 677 HB3 ASN 82 HB1 ASN 82 6.968 6.289 -10.179 678 HD21 ASN 82 HD21 ASN 82 4.466 6.869 -8.367 679 HD22 ASN 82 HD22 ASN 82 4.953 8.273 -7.492 680 H ASP 83 HN ASP 83 6.452 9.358 -13.483 681 HA ASP 83 HA ASP 83 9.331 9.506 -13.450 682 HB2 ASP 83 HB2 ASP 83 7.263 11.195 -14.927 683 HB3 ASP 83 HB1 ASP 83 8.991 11.191 -15.267 684 HA PRO 84 HA PRO 84 9.610 13.365 -10.964 685 HB2 PRO 84 HB2 PRO 84 12.007 14.343 -11.736 686 HB3 PRO 84 HB1 PRO 84 11.896 12.840 -10.803 687 HG2 PRO 84 HG2 PRO 84 12.264 13.199 -13.781 688 HG3 PRO 84 HG1 PRO 84 13.127 12.107 -12.674 689 HD2 PRO 84 HD2 PRO 84 11.009 11.313 -14.256 690 HD3 PRO 84 HD1 PRO 84 11.433 10.524 -12.724 691 H LEU 85 HN LEU 85 9.244 13.157 -14.318 692 HA LEU 85 HA LEU 85 8.404 14.397 -15.965 693 HB2 LEU 85 HB2 LEU 85 7.505 16.205 -13.705 694 HB3 LEU 85 HB1 LEU 85 7.080 16.488 -15.383 695 HG LEU 85 HG LEU 85 6.115 14.039 -15.293 696 HD11 LEU 85 HD11 LEU 85 6.139 14.704 -12.355 697 HD12 LEU 85 HD12 LEU 85 6.932 13.350 -13.149 698 HD13 LEU 85 HD13 LEU 85 5.173 13.417 -13.081 699 HD21 LEU 85 HD21 LEU 85 4.674 16.320 -13.926 700 HD22 LEU 85 HD22 LEU 85 3.918 14.883 -14.620 701 HD23 LEU 85 HD23 LEU 85 4.758 16.026 -15.662 702 H LYS 86 HN LYS 86 11.161 14.894 -14.946 703 HA LYS 86 HA LYS 86 11.825 17.642 -15.496 704 HB2 LYS 86 HB2 LYS 86 13.082 15.947 -13.961 705 HB3 LYS 86 HB1 LYS 86 13.784 15.302 -15.436 706 HG2 LYS 86 HG2 LYS 86 14.070 18.198 -14.536 707 HG3 LYS 86 HG1 LYS 86 15.235 16.928 -14.163 708 HD2 LYS 86 HD2 LYS 86 15.625 16.616 -16.615 709 HD3 LYS 86 HD1 LYS 86 14.509 17.944 -16.942 710 HE2 LYS 86 HE2 LYS 86 16.791 18.765 -17.071 711 HE3 LYS 86 HE1 LYS 86 16.012 19.473 -15.656 712 HZ1 LYS 86 HZ1 LYS 86 17.920 17.204 -15.685 713 HZ2 LYS 86 HZ2 LYS 86 17.104 17.747 -14.310 714 HZ3 LYS 86 HZ3 LYS 86 18.204 18.766 -15.090 Start of MODEL 6 1 H MET 1 HT1 MET 1 1.703 0.363 -5.493 2 HA MET 1 HA MET 1 1.345 -0.587 -7.655 3 HB2 MET 1 HB2 MET 1 -1.041 0.043 -7.911 4 HB3 MET 1 HB1 MET 1 -0.592 1.737 -8.044 5 HG2 MET 1 HG2 MET 1 0.714 1.122 -10.128 6 HG3 MET 1 HG1 MET 1 -0.013 -0.482 -10.018 7 HE1 MET 1 HE1 MET 1 -1.011 -0.270 -12.483 8 HE2 MET 1 HE2 MET 1 -0.243 1.312 -12.633 9 HE3 MET 1 HE3 MET 1 -1.949 1.119 -13.028 10 H SER 2 HN SER 2 1.018 2.990 -7.537 11 HA SER 2 HA SER 2 3.786 3.351 -8.462 12 HB2 SER 2 HB2 SER 2 2.384 3.239 -10.520 13 HB3 SER 2 HB1 SER 2 1.354 4.524 -9.897 14 HG SER 2 HG SER 2 2.781 5.542 -11.188 15 H LYS 3 HN LYS 3 4.677 5.271 -7.815 16 HA LYS 3 HA LYS 3 5.086 7.172 -6.685 17 HB2 LYS 3 HB2 LYS 3 3.320 8.226 -8.006 18 HB3 LYS 3 HB1 LYS 3 2.090 7.604 -6.919 19 HG2 LYS 3 HG2 LYS 3 3.543 9.044 -5.135 20 HG3 LYS 3 HG1 LYS 3 3.920 9.948 -6.597 21 HD2 LYS 3 HD2 LYS 3 2.039 11.045 -5.696 22 HD3 LYS 3 HD1 LYS 3 1.379 10.059 -6.997 23 HE2 LYS 3 HE2 LYS 3 1.309 9.376 -4.038 24 HE3 LYS 3 HE1 LYS 3 -0.040 10.019 -4.963 25 HZ1 LYS 3 HZ1 LYS 3 0.024 7.964 -6.304 26 HZ2 LYS 3 HZ2 LYS 3 -0.293 7.672 -4.672 27 HZ3 LYS 3 HZ3 LYS 3 1.245 7.360 -5.299 28 H THR 4 HN THR 4 5.859 6.576 -4.734 29 HA THR 4 HA THR 4 4.077 5.608 -2.600 30 HB THR 4 HB THR 4 7.114 5.850 -2.641 31 HG1 THR 4 HG1 THR 4 5.342 3.900 -3.603 32 HG21 THR 4 HG21 THR 4 6.215 5.662 -0.343 33 HG22 THR 4 HG22 THR 4 7.055 4.184 -0.807 34 HG23 THR 4 HG23 THR 4 5.292 4.227 -0.811 35 H ALA 5 HN ALA 5 6.673 8.058 -3.002 36 HA ALA 5 HA ALA 5 5.243 10.155 -1.658 37 HB1 ALA 5 HB1 ALA 5 6.709 10.406 0.310 38 HB2 ALA 5 HB2 ALA 5 7.587 8.941 -0.139 39 HB3 ALA 5 HB3 ALA 5 5.890 8.844 0.329 40 H LYS 6 HN LYS 6 8.085 8.895 -3.204 41 HA LYS 6 HA LYS 6 9.777 11.110 -3.340 42 HB2 LYS 6 HB2 LYS 6 10.387 8.806 -4.084 43 HB3 LYS 6 HB1 LYS 6 9.323 8.977 -5.472 44 HG2 LYS 6 HG2 LYS 6 10.756 10.878 -6.280 45 HG3 LYS 6 HG1 LYS 6 11.856 10.578 -4.932 46 HD2 LYS 6 HD2 LYS 6 11.231 8.699 -7.248 47 HD3 LYS 6 HD1 LYS 6 12.750 9.548 -6.955 48 HE2 LYS 6 HE2 LYS 6 13.010 8.222 -4.836 49 HE3 LYS 6 HE1 LYS 6 11.559 7.316 -5.270 50 HZ1 LYS 6 HZ1 LYS 6 12.714 6.614 -7.309 51 HZ2 LYS 6 HZ2 LYS 6 13.508 6.107 -5.909 52 HZ3 LYS 6 HZ3 LYS 6 14.107 7.415 -6.788 53 H LEU 7 HN LEU 7 9.473 13.040 -4.195 54 HA LEU 7 HA LEU 7 8.589 13.496 -6.853 55 HB2 LEU 7 HB2 LEU 7 6.388 13.208 -5.635 56 HB3 LEU 7 HB1 LEU 7 6.772 14.629 -4.688 57 HG LEU 7 HG LEU 7 6.693 14.877 -7.703 58 HD11 LEU 7 HD11 LEU 7 4.200 14.868 -5.993 59 HD12 LEU 7 HD12 LEU 7 4.654 13.657 -7.194 60 HD13 LEU 7 HD13 LEU 7 4.296 15.304 -7.704 61 HD21 LEU 7 HD21 LEU 7 5.907 16.839 -5.508 62 HD22 LEU 7 HD22 LEU 7 5.884 17.163 -7.246 63 HD23 LEU 7 HD23 LEU 7 7.414 16.860 -6.428 64 H ASN 8 HN ASN 8 9.820 15.114 -7.533 65 HA ASN 8 HA ASN 8 10.412 17.449 -5.833 66 HB2 ASN 8 HB2 ASN 8 12.499 15.816 -7.368 67 HB3 ASN 8 HB1 ASN 8 12.795 17.448 -6.766 68 HD21 ASN 8 HD21 ASN 8 12.155 14.120 -5.815 69 HD22 ASN 8 HD22 ASN 8 12.788 14.264 -4.216 70 H ASN 9 HN ASN 9 11.095 19.301 -7.086 71 HA ASN 9 HA ASN 9 10.832 20.862 -8.694 72 HB2 ASN 9 HB2 ASN 9 11.091 18.480 -10.583 73 HB3 ASN 9 HB1 ASN 9 11.080 20.154 -11.111 74 HD21 ASN 9 HD21 ASN 9 12.755 18.814 -8.267 75 HD22 ASN 9 HD22 ASN 9 14.340 19.198 -8.812 76 H GLU 10 HN GLU 10 8.665 20.277 -7.400 77 HA GLU 10 HA GLU 10 6.422 19.111 -8.401 78 HB2 GLU 10 HB2 GLU 10 6.648 19.970 -6.116 79 HB3 GLU 10 HB1 GLU 10 6.637 21.627 -6.700 80 HG2 GLU 10 HG2 GLU 10 4.282 21.231 -7.527 81 HG3 GLU 10 HG1 GLU 10 4.324 19.661 -6.732 82 H GLU 11 HN GLU 11 7.584 22.354 -9.155 83 HA GLU 11 HA GLU 11 5.434 23.642 -10.258 84 HB2 GLU 11 HB2 GLU 11 7.686 24.629 -9.896 85 HB3 GLU 11 HB1 GLU 11 8.304 23.718 -11.267 86 HG2 GLU 11 HG2 GLU 11 6.680 24.953 -12.741 87 HG3 GLU 11 HG1 GLU 11 6.230 25.933 -11.351 88 H LYS 12 HN LYS 12 7.582 21.347 -11.883 89 HA LYS 12 HA LYS 12 6.610 21.634 -14.541 90 HB2 LYS 12 HB2 LYS 12 8.179 19.407 -13.170 91 HB3 LYS 12 HB1 LYS 12 7.937 19.507 -14.914 92 HG2 LYS 12 HG2 LYS 12 9.361 21.364 -15.144 93 HG3 LYS 12 HG1 LYS 12 9.202 21.828 -13.452 94 HD2 LYS 12 HD2 LYS 12 11.448 20.944 -13.904 95 HD3 LYS 12 HD1 LYS 12 10.584 19.916 -12.767 96 HE2 LYS 12 HE2 LYS 12 11.781 18.509 -14.307 97 HE3 LYS 12 HE1 LYS 12 10.062 18.358 -14.668 98 HZ1 LYS 12 HZ1 LYS 12 12.017 20.029 -16.159 99 HZ2 LYS 12 HZ2 LYS 12 10.367 19.905 -16.512 100 HZ3 LYS 12 HZ3 LYS 12 11.372 18.553 -16.674 101 H LEU 13 HN LEU 13 5.812 19.506 -11.859 102 HA LEU 13 HA LEU 13 4.100 17.743 -13.354 103 HB2 LEU 13 HB2 LEU 13 4.489 18.062 -10.357 104 HB3 LEU 13 HB1 LEU 13 3.485 16.832 -11.108 105 HG LEU 13 HG LEU 13 5.723 16.194 -12.384 106 HD11 LEU 13 HD11 LEU 13 7.757 16.481 -11.073 107 HD12 LEU 13 HD12 LEU 13 6.882 17.468 -9.898 108 HD13 LEU 13 HD13 LEU 13 7.090 18.043 -11.555 109 HD21 LEU 13 HD21 LEU 13 6.243 14.540 -10.653 110 HD22 LEU 13 HD22 LEU 13 4.508 14.686 -10.925 111 HD23 LEU 13 HD23 LEU 13 5.240 15.429 -9.501 112 H VAL 14 HN VAL 14 3.633 20.591 -11.308 113 HA VAL 14 HA VAL 14 0.798 20.532 -11.130 114 HB VAL 14 HB VAL 14 2.692 22.930 -11.020 115 HG11 VAL 14 HG11 VAL 14 0.408 23.708 -11.546 116 HG12 VAL 14 HG12 VAL 14 0.846 24.161 -9.899 117 HG13 VAL 14 HG13 VAL 14 -0.236 22.795 -10.180 118 HG21 VAL 14 HG21 VAL 14 3.127 21.263 -9.275 119 HG22 VAL 14 HG22 VAL 14 1.431 21.293 -8.793 120 HG23 VAL 14 HG23 VAL 14 2.438 22.725 -8.567 121 H LYS 15 HN LYS 15 3.017 22.236 -13.351 122 HA LYS 15 HA LYS 15 1.141 23.381 -15.080 123 HB2 LYS 15 HB2 LYS 15 3.981 22.424 -15.626 124 HB3 LYS 15 HB1 LYS 15 3.037 23.377 -16.772 125 HG2 LYS 15 HG2 LYS 15 2.941 25.242 -15.194 126 HG3 LYS 15 HG1 LYS 15 3.787 24.287 -13.975 127 HD2 LYS 15 HD2 LYS 15 5.800 24.223 -15.341 128 HD3 LYS 15 HD1 LYS 15 4.973 25.028 -16.677 129 HE2 LYS 15 HE2 LYS 15 4.781 27.076 -15.385 130 HE3 LYS 15 HE1 LYS 15 5.428 26.279 -13.949 131 HZ1 LYS 15 HZ1 LYS 15 6.939 26.605 -16.477 132 HZ2 LYS 15 HZ2 LYS 15 7.534 26.053 -14.991 133 HZ3 LYS 15 HZ3 LYS 15 7.053 27.663 -15.163 134 H LYS 16 HN LYS 16 2.674 20.176 -15.138 135 HA LYS 16 HA LYS 16 1.547 19.210 -17.545 136 HB2 LYS 16 HB2 LYS 16 3.448 18.133 -16.351 137 HB3 LYS 16 HB1 LYS 16 2.354 17.641 -15.071 138 HG2 LYS 16 HG2 LYS 16 2.787 15.747 -16.486 139 HG3 LYS 16 HG1 LYS 16 1.106 16.232 -16.708 140 HD2 LYS 16 HD2 LYS 16 1.614 17.250 -18.842 141 HD3 LYS 16 HD1 LYS 16 3.350 17.038 -18.589 142 HE2 LYS 16 HE2 LYS 16 3.024 14.567 -18.643 143 HE3 LYS 16 HE1 LYS 16 1.305 14.822 -18.974 144 HZ1 LYS 16 HZ1 LYS 16 1.918 15.967 -21.009 145 HZ2 LYS 16 HZ2 LYS 16 2.543 14.397 -20.994 146 HZ3 LYS 16 HZ3 LYS 16 3.559 15.716 -20.686 147 H ALA 17 HN ALA 17 0.379 19.226 -14.213 148 HA ALA 17 HA ALA 17 -1.938 17.588 -14.668 149 HB1 ALA 17 HB1 ALA 17 -0.914 17.769 -12.442 150 HB2 ALA 17 HB2 ALA 17 -2.607 18.274 -12.400 151 HB3 ALA 17 HB3 ALA 17 -1.319 19.484 -12.381 152 H LEU 18 HN LEU 18 -1.196 21.012 -14.926 153 HA LEU 18 HA LEU 18 -3.876 21.968 -15.197 154 HB2 LEU 18 HB2 LEU 18 -1.371 23.226 -16.383 155 HB3 LEU 18 HB1 LEU 18 -2.926 24.013 -16.139 156 HG LEU 18 HG LEU 18 -0.940 23.162 -14.016 157 HD11 LEU 18 HD11 LEU 18 -1.956 25.910 -14.754 158 HD12 LEU 18 HD12 LEU 18 -0.359 25.244 -15.110 159 HD13 LEU 18 HD13 LEU 18 -0.838 25.529 -13.439 160 HD21 LEU 18 HD21 LEU 18 -2.492 24.033 -12.325 161 HD22 LEU 18 HD22 LEU 18 -3.143 22.630 -13.163 162 HD23 LEU 18 HD23 LEU 18 -3.729 24.247 -13.566 163 H GLU 19 HN GLU 19 -1.410 20.786 -17.418 164 HA GLU 19 HA GLU 19 -2.821 21.208 -19.846 165 HB2 GLU 19 HB2 GLU 19 -0.569 19.278 -19.166 166 HB3 GLU 19 HB1 GLU 19 -1.148 19.581 -20.804 167 HG2 GLU 19 HG2 GLU 19 0.149 21.601 -18.949 168 HG3 GLU 19 HG1 GLU 19 0.903 20.822 -20.336 169 H ILE 20 HN ILE 20 -2.299 18.229 -17.952 170 HA ILE 20 HA ILE 20 -3.898 16.573 -19.608 171 HB ILE 20 HB ILE 20 -2.932 16.046 -16.764 172 HG12 ILE 20 HG12 ILE 20 -1.010 16.433 -18.230 173 HG13 ILE 20 HG11 ILE 20 -1.095 14.721 -17.845 174 HG21 ILE 20 HG21 ILE 20 -4.777 14.539 -17.338 175 HG22 ILE 20 HG22 ILE 20 -3.259 13.640 -17.270 176 HG23 ILE 20 HG23 ILE 20 -3.960 14.074 -18.832 177 HD11 ILE 20 HD11 ILE 20 -1.955 16.003 -20.442 178 HD12 ILE 20 HD12 ILE 20 -2.056 14.282 -20.059 179 HD13 ILE 20 HD13 ILE 20 -0.485 15.074 -20.153 180 H GLY 21 HN GLY 21 -4.440 17.916 -16.333 181 HA2 GLY 21 HA2 GLY 21 -7.100 17.061 -15.992 182 HA3 GLY 21 HA1 GLY 21 -6.346 18.412 -15.155 183 H GLY 22 HN GLY 22 -5.746 20.012 -17.467 184 HA2 GLY 22 HA2 GLY 22 -8.147 21.422 -17.930 185 HA3 GLY 22 HA1 GLY 22 -6.650 21.618 -18.821 186 H LYS 23 HN LYS 23 -6.373 19.133 -20.058 187 HA LYS 23 HA LYS 23 -8.254 19.468 -22.222 188 HB2 LYS 23 HB2 LYS 23 -6.944 17.779 -23.450 189 HB3 LYS 23 HB1 LYS 23 -5.941 19.059 -22.808 190 HG2 LYS 23 HG2 LYS 23 -4.603 17.242 -22.379 191 HG3 LYS 23 HG1 LYS 23 -5.476 17.367 -20.857 192 HD2 LYS 23 HD2 LYS 23 -6.984 15.546 -21.560 193 HD3 LYS 23 HD1 LYS 23 -6.146 15.435 -23.112 194 HE2 LYS 23 HE2 LYS 23 -4.047 14.850 -21.872 195 HE3 LYS 23 HE1 LYS 23 -4.970 14.866 -20.369 196 HZ1 LYS 23 HZ1 LYS 23 -4.701 12.639 -21.210 197 HZ2 LYS 23 HZ2 LYS 23 -5.437 13.063 -22.679 198 HZ3 LYS 23 HZ3 LYS 23 -6.336 13.075 -21.245 199 H MET 24 HN MET 24 -7.788 17.139 -19.653 200 HA MET 24 HA MET 24 -9.621 15.148 -20.462 201 HB2 MET 24 HB2 MET 24 -8.575 16.039 -17.758 202 HB3 MET 24 HB1 MET 24 -9.839 14.817 -17.846 203 HG2 MET 24 HG2 MET 24 -8.385 13.315 -19.052 204 HG3 MET 24 HG1 MET 24 -7.161 14.569 -19.230 205 HE1 MET 24 HE1 MET 24 -9.024 12.245 -16.588 206 HE2 MET 24 HE2 MET 24 -9.245 13.861 -15.912 207 HE3 MET 24 HE3 MET 24 -8.183 12.707 -15.107 208 H ALA 25 HN ALA 25 -10.051 17.948 -18.265 209 HA ALA 25 HA ALA 25 -12.795 17.876 -17.858 210 HB1 ALA 25 HB1 ALA 25 -11.287 19.375 -16.620 211 HB2 ALA 25 HB2 ALA 25 -12.632 20.278 -17.324 212 HB3 ALA 25 HB3 ALA 25 -11.033 20.343 -18.074 213 H LYS 26 HN LYS 26 -10.967 19.517 -20.402 214 HA LYS 26 HA LYS 26 -12.876 20.829 -21.858 215 HB2 LYS 26 HB2 LYS 26 -10.486 20.966 -22.345 216 HB3 LYS 26 HB1 LYS 26 -10.454 19.290 -22.875 217 HG2 LYS 26 HG2 LYS 26 -12.062 19.996 -24.749 218 HG3 LYS 26 HG1 LYS 26 -11.722 21.665 -24.280 219 HD2 LYS 26 HD2 LYS 26 -9.712 19.605 -25.282 220 HD3 LYS 26 HD1 LYS 26 -10.298 21.016 -26.164 221 HE2 LYS 26 HE2 LYS 26 -9.237 22.481 -24.434 222 HE3 LYS 26 HE1 LYS 26 -8.580 21.035 -23.656 223 HZ1 LYS 26 HZ1 LYS 26 -7.383 20.541 -25.713 224 HZ2 LYS 26 HZ2 LYS 26 -6.959 22.060 -25.103 225 HZ3 LYS 26 HZ3 LYS 26 -8.007 21.946 -26.422 226 H MET 27 HN MET 27 -11.738 17.535 -22.534 227 HA MET 27 HA MET 27 -13.549 17.017 -24.658 228 HB2 MET 27 HB2 MET 27 -11.847 15.134 -22.990 229 HB3 MET 27 HB1 MET 27 -12.641 14.693 -24.502 230 HG2 MET 27 HG2 MET 27 -11.265 16.329 -25.720 231 HG3 MET 27 HG1 MET 27 -10.489 16.814 -24.213 232 HE1 MET 27 HE1 MET 27 -10.189 13.845 -22.809 233 HE2 MET 27 HE2 MET 27 -8.924 15.075 -22.753 234 HE3 MET 27 HE3 MET 27 -8.547 13.444 -23.312 235 H GLN 28 HN GLN 28 -13.627 16.278 -21.201 236 HA GLN 28 HA GLN 28 -15.910 14.597 -21.154 237 HB2 GLN 28 HB2 GLN 28 -14.775 16.463 -19.030 238 HB3 GLN 28 HB1 GLN 28 -16.091 15.332 -18.723 239 HG2 GLN 28 HG2 GLN 28 -13.231 14.654 -19.454 240 HG3 GLN 28 HG1 GLN 28 -13.996 14.438 -17.884 241 HE21 GLN 28 HE21 GLN 28 -15.461 12.711 -17.603 242 HE22 GLN 28 HE22 GLN 28 -15.530 11.387 -18.710 243 H GLY 29 HN GLY 29 -15.504 18.098 -21.252 244 HA2 GLY 29 HA2 GLY 29 -17.291 19.119 -22.708 245 HA3 GLY 29 HA1 GLY 29 -18.448 18.441 -21.571 246 H PHE 30 HN PHE 30 -15.320 20.103 -21.010 247 HA PHE 30 HA PHE 30 -16.748 22.240 -19.505 248 HB2 PHE 30 HB2 PHE 30 -14.387 20.678 -18.359 249 HB3 PHE 30 HB1 PHE 30 -15.205 22.030 -17.586 250 HD1 PHE 30 HD1 PHE 30 -17.663 21.730 -16.892 251 HD2 PHE 30 HD2 PHE 30 -15.172 18.448 -18.036 252 HE1 PHE 30 HE1 PHE 30 -19.213 20.158 -15.800 253 HE2 PHE 30 HE2 PHE 30 -16.727 16.888 -16.942 254 HZ PHE 30 HZ PHE 30 -18.747 17.742 -15.827 255 H ASP 31 HN ASP 31 -15.047 23.917 -18.721 256 HA ASP 31 HA ASP 31 -12.702 24.238 -20.407 257 HB2 ASP 31 HB2 ASP 31 -14.489 25.218 -21.822 258 HB3 ASP 31 HB1 ASP 31 -15.009 26.247 -20.489 259 H LEU 32 HN LEU 32 -11.321 24.406 -18.722 260 HA LEU 32 HA LEU 32 -11.998 25.762 -16.250 261 HB2 LEU 32 HB2 LEU 32 -9.393 24.458 -17.148 262 HB3 LEU 32 HB1 LEU 32 -9.755 24.996 -15.514 263 HG LEU 32 HG LEU 32 -11.154 22.723 -16.991 264 HD11 LEU 32 HD11 LEU 32 -8.877 22.137 -16.312 265 HD12 LEU 32 HD12 LEU 32 -10.063 21.246 -15.363 266 HD13 LEU 32 HD13 LEU 32 -9.224 22.629 -14.652 267 HD21 LEU 32 HD21 LEU 32 -12.312 22.267 -14.857 268 HD22 LEU 32 HD22 LEU 32 -12.733 23.853 -15.495 269 HD23 LEU 32 HD23 LEU 32 -11.597 23.718 -14.149 270 HA PRO 33 HA PRO 33 -10.526 29.926 -17.513 271 HB2 PRO 33 HB2 PRO 33 -9.931 29.913 -14.536 272 HB3 PRO 33 HB1 PRO 33 -10.648 31.198 -15.521 273 HG2 PRO 33 HG2 PRO 33 -12.228 29.681 -14.037 274 HG3 PRO 33 HG1 PRO 33 -12.715 30.083 -15.697 275 HD2 PRO 33 HD2 PRO 33 -11.625 27.496 -14.613 276 HD3 PRO 33 HD1 PRO 33 -12.845 27.770 -15.875 277 H GLN 34 HN GLN 34 -8.565 30.444 -18.357 278 HA GLN 34 HA GLN 34 -6.159 29.035 -17.364 279 HB2 GLN 34 HB2 GLN 34 -5.513 28.555 -19.660 280 HB3 GLN 34 HB1 GLN 34 -7.110 27.900 -19.329 281 HG2 GLN 34 HG2 GLN 34 -8.164 29.730 -20.552 282 HG3 GLN 34 HG1 GLN 34 -6.596 30.496 -20.817 283 HE21 GLN 34 HE21 GLN 34 -8.713 27.887 -21.719 284 HE22 GLN 34 HE22 GLN 34 -7.855 27.406 -23.139 285 H SER 35 HN SER 35 -7.455 32.018 -18.650 286 HA SER 35 HA SER 35 -5.183 32.946 -19.991 287 HB2 SER 35 HB2 SER 35 -6.429 35.219 -19.874 288 HB3 SER 35 HB1 SER 35 -7.213 33.878 -20.709 289 HG SER 35 HG SER 35 -7.927 35.182 -18.386 290 HA PRO 36 HA PRO 36 -3.861 35.702 -16.260 291 HB2 PRO 36 HB2 PRO 36 -4.738 35.230 -13.716 292 HB3 PRO 36 HB1 PRO 36 -5.620 36.257 -14.849 293 HG2 PRO 36 HG2 PRO 36 -6.118 33.394 -14.093 294 HG3 PRO 36 HG1 PRO 36 -7.293 34.710 -14.298 295 HD2 PRO 36 HD2 PRO 36 -6.807 32.807 -16.236 296 HD3 PRO 36 HD1 PRO 36 -7.356 34.456 -16.611 297 H GLN 37 HN GLN 37 -4.361 32.283 -15.614 298 HA GLN 37 HA GLN 37 -2.811 30.626 -15.622 299 HB2 GLN 37 HB2 GLN 37 -0.740 32.560 -14.577 300 HB3 GLN 37 HB1 GLN 37 -0.447 30.834 -14.747 301 HG2 GLN 37 HG2 GLN 37 -1.135 32.753 -17.006 302 HG3 GLN 37 HG1 GLN 37 0.475 32.138 -16.638 303 HE21 GLN 37 HE21 GLN 37 -1.185 31.899 -19.084 304 HE22 GLN 37 HE22 GLN 37 -1.267 30.204 -19.414 305 HA PRO 38 HA PRO 38 -2.159 30.142 -10.822 306 HB2 PRO 38 HB2 PRO 38 -3.671 32.388 -9.551 307 HB3 PRO 38 HB1 PRO 38 -2.071 31.742 -9.160 308 HG2 PRO 38 HG2 PRO 38 -2.317 34.117 -10.362 309 HG3 PRO 38 HG1 PRO 38 -1.010 33.003 -10.824 310 HD2 PRO 38 HD2 PRO 38 -3.661 33.482 -12.206 311 HD3 PRO 38 HD1 PRO 38 -2.030 33.413 -12.912 312 H VAL 39 HN VAL 39 -5.178 31.463 -12.020 313 HA VAL 39 HA VAL 39 -6.957 30.107 -10.261 314 HB VAL 39 HB VAL 39 -8.754 30.746 -11.782 315 HG11 VAL 39 HG11 VAL 39 -6.710 32.985 -11.536 316 HG12 VAL 39 HG12 VAL 39 -7.875 32.504 -10.300 317 HG13 VAL 39 HG13 VAL 39 -8.440 33.196 -11.822 318 HG21 VAL 39 HG21 VAL 39 -8.299 31.865 -13.960 319 HG22 VAL 39 HG22 VAL 39 -7.732 30.196 -13.940 320 HG23 VAL 39 HG23 VAL 39 -6.580 31.522 -13.766 321 H ARG 40 HN ARG 40 -5.227 29.108 -13.117 322 HA ARG 40 HA ARG 40 -6.781 26.941 -14.022 323 HB2 ARG 40 HB2 ARG 40 -3.732 27.106 -13.969 324 HB3 ARG 40 HB1 ARG 40 -4.684 25.986 -14.946 325 HG2 ARG 40 HG2 ARG 40 -5.609 27.885 -16.207 326 HG3 ARG 40 HG1 ARG 40 -4.664 29.005 -15.223 327 HD2 ARG 40 HD2 ARG 40 -3.557 28.638 -17.358 328 HD3 ARG 40 HD1 ARG 40 -2.578 27.953 -16.056 329 HE ARG 40 HE ARG 40 -4.314 26.004 -17.196 330 HH11 ARG 40 HH11 ARG 40 -1.282 27.679 -17.803 331 HH12 ARG 40 HH12 ARG 40 -0.663 26.433 -18.836 332 HH21 ARG 40 HH21 ARG 40 -3.480 24.372 -18.534 333 HH22 ARG 40 HH22 ARG 40 -1.909 24.547 -19.238 334 H VAL 41 HN VAL 41 -4.201 27.130 -11.622 335 HA VAL 41 HA VAL 41 -3.862 24.454 -10.959 336 HB VAL 41 HB VAL 41 -3.472 26.958 -9.237 337 HG11 VAL 41 HG11 VAL 41 -1.847 25.667 -7.906 338 HG12 VAL 41 HG12 VAL 41 -2.252 24.212 -8.818 339 HG13 VAL 41 HG13 VAL 41 -3.465 24.979 -7.799 340 HG21 VAL 41 HG21 VAL 41 -2.214 27.039 -11.359 341 HG22 VAL 41 HG22 VAL 41 -1.479 25.472 -11.007 342 HG23 VAL 41 HG23 VAL 41 -1.108 26.871 -9.994 343 H LYS 42 HN LYS 42 -5.942 26.874 -9.483 344 HA LYS 42 HA LYS 42 -7.131 25.327 -7.438 345 HB2 LYS 42 HB2 LYS 42 -6.938 27.886 -7.730 346 HB3 LYS 42 HB1 LYS 42 -8.292 27.780 -8.842 347 HG2 LYS 42 HG2 LYS 42 -8.375 27.001 -5.906 348 HG3 LYS 42 HG1 LYS 42 -8.878 28.565 -6.548 349 HD2 LYS 42 HD2 LYS 42 -10.532 27.164 -8.016 350 HD3 LYS 42 HD1 LYS 42 -10.188 25.856 -6.878 351 HE2 LYS 42 HE2 LYS 42 -11.314 28.577 -6.163 352 HE3 LYS 42 HE1 LYS 42 -12.226 27.075 -6.273 353 HZ1 LYS 42 HZ1 LYS 42 -10.898 26.177 -4.463 354 HZ2 LYS 42 HZ2 LYS 42 -11.675 27.600 -3.985 355 HZ3 LYS 42 HZ3 LYS 42 -10.022 27.622 -4.355 356 H ALA 43 HN ALA 43 -8.353 26.347 -10.635 357 HA ALA 43 HA ALA 43 -10.834 25.100 -10.706 358 HB1 ALA 43 HB1 ALA 43 -10.768 25.427 -13.146 359 HB2 ALA 43 HB2 ALA 43 -9.026 25.712 -13.069 360 HB3 ALA 43 HB3 ALA 43 -10.137 26.845 -12.301 361 H VAL 44 HN VAL 44 -7.722 23.820 -11.836 362 HA VAL 44 HA VAL 44 -8.643 21.417 -12.996 363 HB VAL 44 HB VAL 44 -5.875 22.138 -11.920 364 HG11 VAL 44 HG11 VAL 44 -4.995 20.195 -13.177 365 HG12 VAL 44 HG12 VAL 44 -6.639 19.715 -13.603 366 HG13 VAL 44 HG13 VAL 44 -6.119 19.677 -11.917 367 HG21 VAL 44 HG21 VAL 44 -5.266 22.479 -14.260 368 HG22 VAL 44 HG22 VAL 44 -6.666 23.473 -13.876 369 HG23 VAL 44 HG23 VAL 44 -6.873 21.979 -14.792 370 H TYR 45 HN TYR 45 -7.269 22.183 -9.795 371 HA TYR 45 HA TYR 45 -7.438 19.733 -8.519 372 HB2 TYR 45 HB2 TYR 45 -6.385 21.460 -7.322 373 HB3 TYR 45 HB1 TYR 45 -7.703 22.591 -7.577 374 HD1 TYR 45 HD1 TYR 45 -6.610 19.648 -5.560 375 HD2 TYR 45 HD2 TYR 45 -9.528 22.739 -6.021 376 HE1 TYR 45 HE1 TYR 45 -7.517 19.138 -3.330 377 HE2 TYR 45 HE2 TYR 45 -10.424 22.233 -3.803 378 HH TYR 45 HH TYR 45 -10.512 20.368 -2.269 379 H LEU 46 HN LEU 46 -10.015 22.207 -8.792 380 HA LEU 46 HA LEU 46 -12.034 20.915 -7.327 381 HB2 LEU 46 HB2 LEU 46 -12.292 22.827 -9.679 382 HB3 LEU 46 HB1 LEU 46 -13.648 22.321 -8.681 383 HG LEU 46 HG LEU 46 -11.266 23.991 -7.790 384 HD11 LEU 46 HD11 LEU 46 -12.958 25.745 -7.418 385 HD12 LEU 46 HD12 LEU 46 -14.204 24.684 -8.082 386 HD13 LEU 46 HD13 LEU 46 -12.878 25.242 -9.107 387 HD21 LEU 46 HD21 LEU 46 -11.888 22.513 -5.947 388 HD22 LEU 46 HD22 LEU 46 -13.584 22.979 -6.103 389 HD23 LEU 46 HD23 LEU 46 -12.383 24.168 -5.590 390 H PHE 47 HN PHE 47 -11.317 20.819 -10.802 391 HA PHE 47 HA PHE 47 -13.341 19.085 -11.667 392 HB2 PHE 47 HB2 PHE 47 -12.192 20.195 -13.413 393 HB3 PHE 47 HB1 PHE 47 -10.606 19.819 -12.751 394 HD1 PHE 47 HD1 PHE 47 -13.600 18.032 -14.214 395 HD2 PHE 47 HD2 PHE 47 -9.343 18.165 -13.829 396 HE1 PHE 47 HE1 PHE 47 -13.398 16.085 -15.704 397 HE2 PHE 47 HE2 PHE 47 -9.146 16.227 -15.321 398 HZ PHE 47 HZ PHE 47 -11.174 15.178 -16.262 399 H LEU 48 HN LEU 48 -10.046 18.363 -10.530 400 HA LEU 48 HA LEU 48 -10.065 15.601 -11.043 401 HB2 LEU 48 HB2 LEU 48 -8.401 17.183 -9.065 402 HB3 LEU 48 HB1 LEU 48 -8.100 15.504 -9.489 403 HG LEU 48 HG LEU 48 -7.863 17.907 -11.336 404 HD11 LEU 48 HD11 LEU 48 -5.740 16.043 -10.257 405 HD12 LEU 48 HD12 LEU 48 -6.030 17.706 -9.744 406 HD13 LEU 48 HD13 LEU 48 -5.484 17.378 -11.386 407 HD21 LEU 48 HD21 LEU 48 -7.047 16.357 -13.056 408 HD22 LEU 48 HD22 LEU 48 -8.720 16.017 -12.622 409 HD23 LEU 48 HD23 LEU 48 -7.423 14.983 -12.013 410 H VAL 49 HN VAL 49 -10.806 17.390 -8.024 411 HA VAL 49 HA VAL 49 -11.192 15.088 -6.392 412 HB VAL 49 HB VAL 49 -12.348 17.888 -5.987 413 HG11 VAL 49 HG11 VAL 49 -12.557 17.251 -3.591 414 HG12 VAL 49 HG12 VAL 49 -12.030 15.613 -3.985 415 HG13 VAL 49 HG13 VAL 49 -13.555 16.227 -4.628 416 HG21 VAL 49 HG21 VAL 49 -9.883 17.922 -6.108 417 HG22 VAL 49 HG22 VAL 49 -9.790 16.666 -4.873 418 HG23 VAL 49 HG23 VAL 49 -10.426 18.261 -4.462 419 H ASP 50 HN ASP 50 -13.370 17.123 -8.299 420 HA ASP 50 HA ASP 50 -15.852 15.883 -7.739 421 HB2 ASP 50 HB2 ASP 50 -15.644 18.078 -8.865 422 HB3 ASP 50 HB1 ASP 50 -14.889 17.323 -10.257 423 H ALA 51 HN ALA 51 -13.332 15.162 -10.093 424 HA ALA 51 HA ALA 51 -14.828 12.997 -11.365 425 HB1 ALA 51 HB1 ALA 51 -12.955 12.941 -12.952 426 HB2 ALA 51 HB2 ALA 51 -12.055 14.087 -11.952 427 HB3 ALA 51 HB3 ALA 51 -13.545 14.592 -12.748 428 H LYS 52 HN LYS 52 -13.313 13.168 -8.538 429 HA LYS 52 HA LYS 52 -12.630 11.683 -6.998 430 HB2 LYS 52 HB2 LYS 52 -13.423 9.452 -8.907 431 HB3 LYS 52 HB1 LYS 52 -13.313 9.363 -7.149 432 HG2 LYS 52 HG2 LYS 52 -15.384 10.846 -8.805 433 HG3 LYS 52 HG1 LYS 52 -15.641 9.461 -7.739 434 HD2 LYS 52 HD2 LYS 52 -15.241 10.824 -5.769 435 HD3 LYS 52 HD1 LYS 52 -14.708 12.188 -6.754 436 HE2 LYS 52 HE2 LYS 52 -17.022 12.320 -7.723 437 HE3 LYS 52 HE1 LYS 52 -17.523 11.068 -6.583 438 HZ1 LYS 52 HZ1 LYS 52 -18.039 13.282 -5.774 439 HZ2 LYS 52 HZ2 LYS 52 -16.408 13.725 -5.848 440 HZ3 LYS 52 HZ3 LYS 52 -16.912 12.528 -4.764 441 H GLN 53 HN GLN 53 -10.843 12.519 -9.224 442 HA GLN 53 HA GLN 53 -8.804 10.584 -9.642 443 HB2 GLN 53 HB2 GLN 53 -8.694 13.622 -9.832 444 HB3 GLN 53 HB1 GLN 53 -7.519 12.514 -10.523 445 HG2 GLN 53 HG2 GLN 53 -10.434 12.667 -11.344 446 HG3 GLN 53 HG1 GLN 53 -9.115 13.481 -12.181 447 HE21 GLN 53 HE21 GLN 53 -11.008 11.445 -13.150 448 HE22 GLN 53 HE22 GLN 53 -10.038 10.142 -13.740 449 H ILE 54 HN ILE 54 -9.276 13.263 -7.354 450 HA ILE 54 HA ILE 54 -7.269 12.131 -5.516 451 HB ILE 54 HB ILE 54 -6.511 14.482 -4.884 452 HG12 ILE 54 HG12 ILE 54 -7.885 15.247 -7.501 453 HG13 ILE 54 HG11 ILE 54 -8.392 15.740 -5.893 454 HG21 ILE 54 HG21 ILE 54 -4.876 14.707 -6.702 455 HG22 ILE 54 HG22 ILE 54 -5.820 13.592 -7.692 456 HG23 ILE 54 HG23 ILE 54 -5.068 13.025 -6.201 457 HD11 ILE 54 HD11 ILE 54 -6.344 17.045 -5.646 458 HD12 ILE 54 HD12 ILE 54 -7.259 17.531 -7.073 459 HD13 ILE 54 HD13 ILE 54 -5.818 16.532 -7.252 460 H ALA 55 HN ALA 55 -7.484 12.956 -3.338 461 HA ALA 55 HA ALA 55 -10.211 13.195 -2.409 462 HB1 ALA 55 HB1 ALA 55 -9.165 13.076 -0.157 463 HB2 ALA 55 HB2 ALA 55 -7.564 13.210 -0.890 464 HB3 ALA 55 HB3 ALA 55 -8.564 11.793 -1.208 465 HA PRO 56 HA PRO 56 -10.134 17.704 -1.962 466 HB2 PRO 56 HB2 PRO 56 -11.935 18.145 0.012 467 HB3 PRO 56 HB1 PRO 56 -12.427 17.495 -1.561 468 HG2 PRO 56 HG2 PRO 56 -11.865 15.996 1.006 469 HG3 PRO 56 HG1 PRO 56 -13.269 15.854 -0.074 470 HD2 PRO 56 HD2 PRO 56 -11.180 14.117 -0.197 471 HD3 PRO 56 HD1 PRO 56 -12.096 14.584 -1.648 472 H LEU 57 HN LEU 57 -9.547 19.413 -0.567 473 HA LEU 57 HA LEU 57 -7.813 18.771 1.719 474 HB2 LEU 57 HB2 LEU 57 -8.003 21.201 -0.117 475 HB3 LEU 57 HB1 LEU 57 -6.992 21.166 1.320 476 HG LEU 57 HG LEU 57 -6.637 19.265 -1.038 477 HD11 LEU 57 HD11 LEU 57 -6.210 21.544 -1.791 478 HD12 LEU 57 HD12 LEU 57 -4.702 20.644 -1.687 479 HD13 LEU 57 HD13 LEU 57 -5.115 21.820 -0.437 480 HD21 LEU 57 HD21 LEU 57 -5.759 18.387 1.093 481 HD22 LEU 57 HD22 LEU 57 -4.810 19.859 1.322 482 HD23 LEU 57 HD23 LEU 57 -4.452 18.774 -0.025 483 HA PRO 58 HA PRO 58 -10.779 21.043 4.381 484 HB2 PRO 58 HB2 PRO 58 -9.009 22.082 6.237 485 HB3 PRO 58 HB1 PRO 58 -9.595 20.414 6.274 486 HG2 PRO 58 HG2 PRO 58 -7.004 21.490 5.179 487 HG3 PRO 58 HG1 PRO 58 -7.282 20.048 6.180 488 HD2 PRO 58 HD2 PRO 58 -6.923 19.858 3.509 489 HD3 PRO 58 HD1 PRO 58 -8.042 18.778 4.368 490 H ASP 59 HN ASP 59 -11.351 23.247 4.788 491 HA ASP 59 HA ASP 59 -10.721 25.101 2.765 492 HB2 ASP 59 HB2 ASP 59 -12.067 25.545 5.470 493 HB3 ASP 59 HB1 ASP 59 -12.036 26.738 4.169 494 H SER 60 HN SER 60 -9.316 24.569 5.903 495 HA SER 60 HA SER 60 -7.825 26.975 6.177 496 HB2 SER 60 HB2 SER 60 -8.338 25.326 8.024 497 HB3 SER 60 HB1 SER 60 -7.171 24.217 7.303 498 HG SER 60 HG SER 60 -6.651 26.817 8.342 499 H LYS 61 HN LYS 61 -7.157 23.827 4.629 500 HA LYS 61 HA LYS 61 -4.536 24.758 3.618 501 HB2 LYS 61 HB2 LYS 61 -5.779 21.971 3.753 502 HB3 LYS 61 HB1 LYS 61 -4.223 22.320 2.999 503 HG2 LYS 61 HG2 LYS 61 -4.875 22.839 5.920 504 HG3 LYS 61 HG1 LYS 61 -4.041 21.402 5.318 505 HD2 LYS 61 HD2 LYS 61 -2.170 22.743 4.543 506 HD3 LYS 61 HD1 LYS 61 -3.021 24.243 4.920 507 HE2 LYS 61 HE2 LYS 61 -2.906 23.770 7.288 508 HE3 LYS 61 HE1 LYS 61 -2.203 22.179 6.979 509 HZ1 LYS 61 HZ1 LYS 61 -0.921 24.760 6.249 510 HZ2 LYS 61 HZ2 LYS 61 -0.243 23.218 6.079 511 HZ3 LYS 61 HZ3 LYS 61 -0.541 23.844 7.621 512 H LEU 62 HN LEU 62 -7.404 25.350 2.612 513 HA LEU 62 HA LEU 62 -7.194 24.442 -0.178 514 HB2 LEU 62 HB2 LEU 62 -9.420 24.895 1.343 515 HB3 LEU 62 HB1 LEU 62 -9.269 26.481 0.630 516 HG LEU 62 HG LEU 62 -10.853 25.147 -0.642 517 HD11 LEU 62 HD11 LEU 62 -9.962 25.309 -2.906 518 HD12 LEU 62 HD12 LEU 62 -8.324 25.478 -2.268 519 HD13 LEU 62 HD13 LEU 62 -9.529 26.727 -1.948 520 HD21 LEU 62 HD21 LEU 62 -10.234 23.074 -1.783 521 HD22 LEU 62 HD22 LEU 62 -10.053 22.925 -0.037 522 HD23 LEU 62 HD23 LEU 62 -8.623 23.135 -1.056 523 H ASP 63 HN ASP 63 -5.111 25.433 -0.279 524 HA ASP 63 HA ASP 63 -5.077 28.281 -1.004 525 HB2 ASP 63 HB2 ASP 63 -4.393 28.358 1.318 526 HB3 ASP 63 HB1 ASP 63 -3.342 26.959 1.133 527 H GLY 64 HN GLY 64 -3.359 28.799 -2.419 528 HA2 GLY 64 HA2 GLY 64 -2.958 27.189 -4.565 529 HA3 GLY 64 HA1 GLY 64 -1.860 28.485 -4.125 530 H ALA 65 HN ALA 65 -0.701 27.449 -1.817 531 HA ALA 65 HA ALA 65 1.428 25.896 -2.769 532 HB1 ALA 65 HB1 ALA 65 1.550 27.277 -0.737 533 HB2 ALA 65 HB2 ALA 65 2.062 25.626 -0.392 534 HB3 ALA 65 HB3 ALA 65 0.458 26.176 0.105 535 H ASN 66 HN ASN 66 -1.402 24.889 -0.878 536 HA ASN 66 HA ASN 66 -0.657 22.119 -0.644 537 HB2 ASN 66 HB2 ASN 66 -3.333 23.476 -0.105 538 HB3 ASN 66 HB1 ASN 66 -2.867 21.877 0.454 539 HD21 ASN 66 HD21 ASN 66 -2.483 25.300 0.922 540 HD22 ASN 66 HD22 ASN 66 -1.652 25.207 2.430 541 H ILE 67 HN ILE 67 -2.841 23.973 -2.690 542 HA ILE 67 HA ILE 67 -4.232 21.920 -4.009 543 HB ILE 67 HB ILE 67 -3.422 24.665 -5.097 544 HG12 ILE 67 HG12 ILE 67 -4.784 24.816 -2.994 545 HG13 ILE 67 HG11 ILE 67 -5.625 25.489 -4.380 546 HG21 ILE 67 HG21 ILE 67 -5.316 24.419 -6.673 547 HG22 ILE 67 HG22 ILE 67 -5.578 22.777 -6.084 548 HG23 ILE 67 HG23 ILE 67 -4.081 23.184 -6.918 549 HD11 ILE 67 HD11 ILE 67 -6.127 22.784 -3.158 550 HD12 ILE 67 HD12 ILE 67 -6.980 23.475 -4.542 551 HD13 ILE 67 HD13 ILE 67 -7.111 24.232 -2.953 552 H LYS 68 HN LYS 68 -1.183 23.569 -4.796 553 HA LYS 68 HA LYS 68 -0.562 22.338 -7.239 554 HB2 LYS 68 HB2 LYS 68 1.195 23.563 -5.088 555 HB3 LYS 68 HB1 LYS 68 1.847 22.991 -6.624 556 HG2 LYS 68 HG2 LYS 68 0.527 24.614 -7.853 557 HG3 LYS 68 HG1 LYS 68 -0.303 25.115 -6.377 558 HD2 LYS 68 HD2 LYS 68 1.860 25.923 -5.460 559 HD3 LYS 68 HD1 LYS 68 2.659 25.467 -6.966 560 HE2 LYS 68 HE2 LYS 68 1.234 27.089 -8.189 561 HE3 LYS 68 HE1 LYS 68 0.468 27.554 -6.667 562 HZ1 LYS 68 HZ1 LYS 68 3.368 27.818 -7.260 563 HZ2 LYS 68 HZ2 LYS 68 2.574 28.354 -5.865 564 HZ3 LYS 68 HZ3 LYS 68 2.244 29.079 -7.358 565 H HIS 69 HN HIS 69 0.045 21.306 -3.916 566 HA HIS 69 HA HIS 69 1.810 19.157 -4.524 567 HB2 HIS 69 HB2 HIS 69 1.333 20.353 -2.214 568 HB3 HIS 69 HB1 HIS 69 0.060 19.155 -2.044 569 HD1 HIS 69 HD1 HIS 69 0.853 17.208 -0.687 570 HD2 HIS 69 HD2 HIS 69 3.930 18.865 -2.931 571 HE1 HIS 69 HE1 HIS 69 2.907 15.886 -0.098 572 HE2 HIS 69 HE2 HIS 69 4.780 17.020 -1.338 573 H ARG 70 HN ARG 70 -1.706 19.370 -4.008 574 HA ARG 70 HA ARG 70 -2.452 16.688 -4.333 575 HB2 ARG 70 HB2 ARG 70 -3.859 19.311 -4.855 576 HB3 ARG 70 HB1 ARG 70 -4.625 17.822 -5.384 577 HG2 ARG 70 HG2 ARG 70 -3.856 18.502 -2.538 578 HG3 ARG 70 HG1 ARG 70 -5.484 18.545 -3.219 579 HD2 ARG 70 HD2 ARG 70 -5.092 16.028 -3.769 580 HD3 ARG 70 HD1 ARG 70 -3.741 16.138 -2.636 581 HE ARG 70 HE ARG 70 -6.548 16.769 -1.909 582 HH11 ARG 70 HH11 ARG 70 -3.456 15.329 -1.030 583 HH12 ARG 70 HH12 ARG 70 -4.057 14.670 0.456 584 HH21 ARG 70 HH21 ARG 70 -7.311 15.889 0.024 585 HH22 ARG 70 HH22 ARG 70 -6.238 15.010 1.062 586 H LEU 71 HN LEU 71 -2.055 19.226 -6.797 587 HA LEU 71 HA LEU 71 -2.857 17.707 -9.048 588 HB2 LEU 71 HB2 LEU 71 -1.000 20.114 -8.948 589 HB3 LEU 71 HB1 LEU 71 -1.789 19.495 -10.388 590 HG LEU 71 HG LEU 71 -3.086 20.887 -8.026 591 HD11 LEU 71 HD11 LEU 71 -2.983 21.626 -10.961 592 HD12 LEU 71 HD12 LEU 71 -2.039 22.362 -9.660 593 HD13 LEU 71 HD13 LEU 71 -3.792 22.532 -9.677 594 HD21 LEU 71 HD21 LEU 71 -4.500 19.527 -10.339 595 HD22 LEU 71 HD22 LEU 71 -5.256 20.606 -9.162 596 HD23 LEU 71 HD23 LEU 71 -4.575 19.072 -8.632 597 H ALA 72 HN ALA 72 0.287 18.333 -7.587 598 HA ALA 72 HA ALA 72 1.944 17.276 -9.613 599 HB1 ALA 72 HB1 ALA 72 3.725 17.363 -7.919 600 HB2 ALA 72 HB2 ALA 72 2.516 17.615 -6.655 601 HB3 ALA 72 HB3 ALA 72 2.755 18.840 -7.902 602 H LEU 73 HN LEU 73 0.811 15.856 -6.521 603 HA LEU 73 HA LEU 73 1.997 13.298 -6.975 604 HB2 LEU 73 HB2 LEU 73 -0.038 14.274 -4.972 605 HB3 LEU 73 HB1 LEU 73 0.275 12.555 -5.145 606 HG LEU 73 HG LEU 73 2.794 13.209 -4.798 607 HD11 LEU 73 HD11 LEU 73 1.481 15.629 -3.552 608 HD12 LEU 73 HD12 LEU 73 2.554 15.611 -4.955 609 HD13 LEU 73 HD13 LEU 73 3.177 15.155 -3.371 610 HD21 LEU 73 HD21 LEU 73 2.576 12.947 -2.368 611 HD22 LEU 73 HD22 LEU 73 1.555 11.818 -3.257 612 HD23 LEU 73 HD23 LEU 73 0.837 13.238 -2.489 613 H TRP 74 HN TRP 74 -1.180 14.673 -7.728 614 HA TRP 74 HA TRP 74 -2.552 12.361 -8.468 615 HB2 TRP 74 HB2 TRP 74 -3.783 14.458 -8.478 616 HB3 TRP 74 HB1 TRP 74 -2.717 15.150 -9.698 617 HD1 TRP 74 HD1 TRP 74 -5.129 12.087 -9.455 618 HE1 TRP 74 HE1 TRP 74 -6.260 11.780 -11.741 619 HE3 TRP 74 HE3 TRP 74 -2.841 15.869 -12.017 620 HZ2 TRP 74 HZ2 TRP 74 -6.201 12.963 -14.282 621 HZ3 TRP 74 HZ3 TRP 74 -3.433 16.219 -14.380 622 HH2 TRP 74 HH2 TRP 74 -5.085 14.793 -15.489 623 H ILE 75 HN ILE 75 -0.642 14.534 -10.572 624 HA ILE 75 HA ILE 75 -0.906 12.884 -12.862 625 HB ILE 75 HB ILE 75 -0.598 15.368 -12.962 626 HG12 ILE 75 HG12 ILE 75 0.792 15.380 -14.995 627 HG13 ILE 75 HG11 ILE 75 1.487 13.821 -14.572 628 HG21 ILE 75 HG21 ILE 75 1.671 16.336 -12.816 629 HG22 ILE 75 HG22 ILE 75 2.299 14.779 -12.275 630 HG23 ILE 75 HG23 ILE 75 1.142 15.657 -11.275 631 HD11 ILE 75 HD11 ILE 75 -0.187 13.635 -16.328 632 HD12 ILE 75 HD12 ILE 75 -1.407 14.343 -15.270 633 HD13 ILE 75 HD13 ILE 75 -0.703 12.770 -14.881 634 H HIS 76 HN HIS 76 1.462 13.029 -10.270 635 HA HIS 76 HA HIS 76 3.525 11.554 -11.592 636 HB2 HIS 76 HB2 HIS 76 3.576 12.989 -9.328 637 HB3 HIS 76 HB1 HIS 76 3.259 11.430 -8.574 638 HD1 HIS 76 HD1 HIS 76 5.642 11.500 -7.464 639 HD2 HIS 76 HD2 HIS 76 5.701 11.563 -11.625 640 HE1 HIS 76 HE1 HIS 76 8.040 11.153 -8.117 641 HE2 HIS 76 HE2 HIS 76 8.022 11.036 -10.631 642 H ALA 77 HN ALA 77 0.655 10.638 -9.779 643 HA ALA 77 HA ALA 77 1.179 7.761 -10.041 644 HB1 ALA 77 HB1 ALA 77 0.083 8.614 -8.013 645 HB2 ALA 77 HB2 ALA 77 -0.985 7.510 -8.883 646 HB3 ALA 77 HB3 ALA 77 -1.242 9.255 -8.986 647 H ALA 78 HN ALA 78 -0.534 10.287 -11.755 648 HA ALA 78 HA ALA 78 -2.415 8.605 -13.160 649 HB1 ALA 78 HB1 ALA 78 -3.100 10.626 -14.349 650 HB2 ALA 78 HB2 ALA 78 -1.708 11.505 -13.713 651 HB3 ALA 78 HB3 ALA 78 -2.976 10.958 -12.619 652 H LEU 79 HN LEU 79 0.814 9.746 -13.702 653 HA LEU 79 HA LEU 79 1.000 8.467 -16.321 654 HB2 LEU 79 HB2 LEU 79 3.195 9.491 -14.465 655 HB3 LEU 79 HB1 LEU 79 3.426 8.968 -16.124 656 HG LEU 79 HG LEU 79 1.797 11.413 -15.285 657 HD11 LEU 79 HD11 LEU 79 3.621 12.797 -16.180 658 HD12 LEU 79 HD12 LEU 79 4.576 11.351 -16.514 659 HD13 LEU 79 HD13 LEU 79 4.189 11.786 -14.850 660 HD21 LEU 79 HD21 LEU 79 0.963 10.467 -17.383 661 HD22 LEU 79 HD22 LEU 79 2.589 10.479 -18.069 662 HD23 LEU 79 HD23 LEU 79 1.780 12.003 -17.688 663 HA PRO 80 HA PRO 80 1.042 4.553 -13.835 664 HB2 PRO 80 HB2 PRO 80 1.178 3.347 -16.587 665 HB3 PRO 80 HB1 PRO 80 0.066 2.992 -15.258 666 HG2 PRO 80 HG2 PRO 80 -0.783 4.391 -17.367 667 HG3 PRO 80 HG1 PRO 80 -1.297 4.847 -15.727 668 HD2 PRO 80 HD2 PRO 80 0.849 6.103 -17.450 669 HD3 PRO 80 HD1 PRO 80 -0.412 6.887 -16.474 670 H ASP 81 HN ASP 81 3.217 5.495 -16.400 671 HA ASP 81 HA ASP 81 5.331 3.643 -15.907 672 HB2 ASP 81 HB2 ASP 81 5.084 4.830 -18.054 673 HB3 ASP 81 HB1 ASP 81 5.309 6.381 -17.249 674 H ASN 82 HN ASN 82 4.280 6.561 -14.404 675 HA ASN 82 HA ASN 82 4.952 7.953 -12.781 676 HB2 ASN 82 HB2 ASN 82 5.165 5.771 -11.491 677 HB3 ASN 82 HB1 ASN 82 6.874 5.758 -11.888 678 HD21 ASN 82 HD21 ASN 82 5.684 5.778 -9.266 679 HD22 ASN 82 HD22 ASN 82 6.235 7.204 -8.462 680 H ASP 83 HN ASP 83 5.776 9.302 -14.403 681 HA ASP 83 HA ASP 83 8.616 9.169 -15.128 682 HB2 ASP 83 HB2 ASP 83 6.900 9.380 -16.911 683 HB3 ASP 83 HB1 ASP 83 6.310 10.865 -16.183 684 HA PRO 84 HA PRO 84 9.509 12.589 -12.216 685 HB2 PRO 84 HB2 PRO 84 12.038 13.203 -13.013 686 HB3 PRO 84 HB1 PRO 84 11.668 11.702 -12.149 687 HG2 PRO 84 HG2 PRO 84 11.964 12.138 -15.130 688 HG3 PRO 84 HG1 PRO 84 12.726 10.897 -14.113 689 HD2 PRO 84 HD2 PRO 84 10.513 10.364 -15.567 690 HD3 PRO 84 HD1 PRO 84 10.763 9.630 -13.967 691 H LEU 85 HN LEU 85 9.277 12.903 -15.641 692 HA LEU 85 HA LEU 85 8.902 14.545 -17.128 693 HB2 LEU 85 HB2 LEU 85 8.247 16.252 -14.708 694 HB3 LEU 85 HB1 LEU 85 8.022 16.763 -16.370 695 HG LEU 85 HG LEU 85 6.515 14.623 -16.558 696 HD11 LEU 85 HD11 LEU 85 6.400 15.079 -13.573 697 HD12 LEU 85 HD12 LEU 85 6.987 13.633 -14.393 698 HD13 LEU 85 HD13 LEU 85 5.282 14.067 -14.496 699 HD21 LEU 85 HD21 LEU 85 5.748 16.907 -16.841 700 HD22 LEU 85 HD22 LEU 85 5.611 17.106 -15.090 701 HD23 LEU 85 HD23 LEU 85 4.567 15.963 -15.938 702 H LYS 86 HN LYS 86 11.557 14.329 -15.573 703 HA LYS 86 HA LYS 86 12.649 16.910 -15.245 704 HB2 LYS 86 HB2 LYS 86 13.378 14.807 -14.046 705 HB3 LYS 86 HB1 LYS 86 14.172 14.292 -15.528 706 HG2 LYS 86 HG2 LYS 86 15.818 15.244 -14.028 707 HG3 LYS 86 HG1 LYS 86 15.637 16.299 -15.435 708 HD2 LYS 86 HD2 LYS 86 14.161 17.799 -14.096 709 HD3 LYS 86 HD1 LYS 86 14.376 16.749 -12.693 710 HE2 LYS 86 HE2 LYS 86 16.773 17.267 -12.656 711 HE3 LYS 86 HE1 LYS 86 16.603 18.260 -14.103 712 HZ1 LYS 86 HZ1 LYS 86 15.306 18.782 -11.483 713 HZ2 LYS 86 HZ2 LYS 86 15.144 19.735 -12.873 714 HZ3 LYS 86 HZ3 LYS 86 16.649 19.603 -12.109 Start of MODEL 7 1 H MET 1 HT1 MET 1 0.916 1.173 -10.067 2 HA MET 1 HA MET 1 0.485 3.448 -10.616 3 HB2 MET 1 HB2 MET 1 -2.115 3.038 -9.067 4 HB3 MET 1 HB1 MET 1 -1.551 4.566 -9.733 5 HG2 MET 1 HG2 MET 1 -1.796 3.694 -12.004 6 HG3 MET 1 HG1 MET 1 -2.288 2.122 -11.369 7 HE1 MET 1 HE1 MET 1 -5.647 3.446 -12.872 8 HE2 MET 1 HE2 MET 1 -4.520 2.093 -12.804 9 HE3 MET 1 HE3 MET 1 -4.025 3.617 -13.544 10 H SER 2 HN SER 2 2.254 3.823 -9.354 11 HA SER 2 HA SER 2 1.928 4.258 -6.462 12 HB2 SER 2 HB2 SER 2 4.171 2.539 -7.642 13 HB3 SER 2 HB1 SER 2 3.982 2.970 -5.944 14 HG SER 2 HG SER 2 2.953 0.893 -7.225 15 H LYS 3 HN LYS 3 4.500 4.994 -5.824 16 HA LYS 3 HA LYS 3 5.476 6.863 -7.913 17 HB2 LYS 3 HB2 LYS 3 5.712 7.192 -4.877 18 HB3 LYS 3 HB1 LYS 3 6.505 8.224 -6.058 19 HG2 LYS 3 HG2 LYS 3 4.627 9.478 -5.381 20 HG3 LYS 3 HG1 LYS 3 4.148 8.789 -6.932 21 HD2 LYS 3 HD2 LYS 3 2.877 7.020 -5.744 22 HD3 LYS 3 HD1 LYS 3 3.361 7.714 -4.196 23 HE2 LYS 3 HE2 LYS 3 2.127 9.791 -4.747 24 HE3 LYS 3 HE1 LYS 3 1.649 9.089 -6.298 25 HZ1 LYS 3 HZ1 LYS 3 0.491 7.344 -5.105 26 HZ2 LYS 3 HZ2 LYS 3 -0.096 8.865 -4.663 27 HZ3 LYS 3 HZ3 LYS 3 0.937 8.023 -3.623 28 H THR 4 HN THR 4 7.426 6.319 -8.703 29 HA THR 4 HA THR 4 8.815 3.982 -7.951 30 HB THR 4 HB THR 4 8.818 4.888 -10.271 31 HG1 THR 4 HG1 THR 4 11.032 4.430 -10.662 32 HG21 THR 4 HG21 THR 4 10.743 6.996 -9.208 33 HG22 THR 4 HG22 THR 4 9.098 7.300 -9.766 34 HG23 THR 4 HG23 THR 4 10.320 6.735 -10.904 35 H ALA 5 HN ALA 5 9.253 7.350 -7.063 36 HA ALA 5 HA ALA 5 11.172 6.617 -4.985 37 HB1 ALA 5 HB1 ALA 5 12.603 7.221 -6.917 38 HB2 ALA 5 HB2 ALA 5 12.771 8.383 -5.601 39 HB3 ALA 5 HB3 ALA 5 11.806 8.792 -7.021 40 H LYS 6 HN LYS 6 10.731 9.972 -5.970 41 HA LYS 6 HA LYS 6 8.593 10.539 -4.087 42 HB2 LYS 6 HB2 LYS 6 11.479 11.339 -3.549 43 HB3 LYS 6 HB1 LYS 6 10.156 12.319 -2.931 44 HG2 LYS 6 HG2 LYS 6 9.333 10.483 -1.576 45 HG3 LYS 6 HG1 LYS 6 10.498 9.370 -2.295 46 HD2 LYS 6 HD2 LYS 6 11.214 11.784 -0.574 47 HD3 LYS 6 HD1 LYS 6 11.168 10.108 -0.016 48 HE2 LYS 6 HE2 LYS 6 12.912 9.561 -1.755 49 HE3 LYS 6 HE1 LYS 6 13.047 11.290 -2.089 50 HZ1 LYS 6 HZ1 LYS 6 13.688 11.629 0.213 51 HZ2 LYS 6 HZ2 LYS 6 14.737 10.555 -0.566 52 HZ3 LYS 6 HZ3 LYS 6 13.572 9.967 0.509 53 H LEU 7 HN LEU 7 8.136 12.892 -4.036 54 HA LEU 7 HA LEU 7 7.839 13.981 -6.639 55 HB2 LEU 7 HB2 LEU 7 6.226 14.284 -4.783 56 HB3 LEU 7 HB1 LEU 7 7.422 15.197 -3.891 57 HG LEU 7 HG LEU 7 7.343 16.991 -5.643 58 HD11 LEU 7 HD11 LEU 7 6.716 15.636 -7.558 59 HD12 LEU 7 HD12 LEU 7 5.587 16.969 -7.343 60 HD13 LEU 7 HD13 LEU 7 5.121 15.337 -6.858 61 HD21 LEU 7 HD21 LEU 7 5.130 17.907 -5.060 62 HD22 LEU 7 HD22 LEU 7 5.915 17.213 -3.643 63 HD23 LEU 7 HD23 LEU 7 4.619 16.329 -4.451 64 H ASN 8 HN ASN 8 9.016 15.548 -7.700 65 HA ASN 8 HA ASN 8 11.161 17.011 -6.349 66 HB2 ASN 8 HB2 ASN 8 12.838 16.332 -8.090 67 HB3 ASN 8 HB1 ASN 8 12.327 14.996 -7.069 68 HD21 ASN 8 HD21 ASN 8 10.936 13.384 -7.969 69 HD22 ASN 8 HD22 ASN 8 10.848 13.146 -9.678 70 H ASN 9 HN ASN 9 11.203 19.039 -7.021 71 HA ASN 9 HA ASN 9 10.512 20.987 -7.895 72 HB2 ASN 9 HB2 ASN 9 12.202 20.177 -9.666 73 HB3 ASN 9 HB1 ASN 9 10.809 19.743 -10.661 74 HD21 ASN 9 HD21 ASN 9 9.379 21.463 -11.337 75 HD22 ASN 9 HD22 ASN 9 9.957 23.083 -11.471 76 H GLU 10 HN GLU 10 8.430 20.738 -7.025 77 HA GLU 10 HA GLU 10 6.282 19.302 -7.970 78 HB2 GLU 10 HB2 GLU 10 6.483 20.349 -5.721 79 HB3 GLU 10 HB1 GLU 10 6.198 21.932 -6.434 80 HG2 GLU 10 HG2 GLU 10 3.926 21.319 -7.039 81 HG3 GLU 10 HG1 GLU 10 4.198 19.650 -6.531 82 H GLU 11 HN GLU 11 7.248 22.560 -8.907 83 HA GLU 11 HA GLU 11 5.017 23.558 -10.190 84 HB2 GLU 11 HB2 GLU 11 7.959 23.967 -10.843 85 HB3 GLU 11 HB1 GLU 11 6.669 24.956 -11.517 86 HG2 GLU 11 HG2 GLU 11 7.228 24.704 -8.542 87 HG3 GLU 11 HG1 GLU 11 7.889 25.974 -9.573 88 H LYS 12 HN LYS 12 7.451 21.353 -11.553 89 HA LYS 12 HA LYS 12 6.668 21.358 -14.269 90 HB2 LYS 12 HB2 LYS 12 7.946 19.177 -12.555 91 HB3 LYS 12 HB1 LYS 12 7.704 18.994 -14.289 92 HG2 LYS 12 HG2 LYS 12 9.375 21.180 -13.005 93 HG3 LYS 12 HG1 LYS 12 10.026 19.674 -13.655 94 HD2 LYS 12 HD2 LYS 12 8.479 21.732 -15.288 95 HD3 LYS 12 HD1 LYS 12 10.242 21.637 -15.217 96 HE2 LYS 12 HE2 LYS 12 10.153 19.361 -16.157 97 HE3 LYS 12 HE1 LYS 12 8.393 19.452 -16.217 98 HZ1 LYS 12 HZ1 LYS 12 9.500 19.890 -18.348 99 HZ2 LYS 12 HZ2 LYS 12 10.194 21.281 -17.687 100 HZ3 LYS 12 HZ3 LYS 12 8.516 21.164 -17.833 101 H LEU 13 HN LEU 13 5.626 19.428 -11.527 102 HA LEU 13 HA LEU 13 3.863 17.714 -13.009 103 HB2 LEU 13 HB2 LEU 13 4.153 18.146 -10.017 104 HB3 LEU 13 HB1 LEU 13 3.205 16.876 -10.774 105 HG LEU 13 HG LEU 13 5.574 16.308 -11.935 106 HD11 LEU 13 HD11 LEU 13 7.467 16.560 -10.430 107 HD12 LEU 13 HD12 LEU 13 6.475 17.490 -9.301 108 HD13 LEU 13 HD13 LEU 13 6.825 18.130 -10.909 109 HD21 LEU 13 HD21 LEU 13 4.778 15.392 -9.169 110 HD22 LEU 13 HD22 LEU 13 5.951 14.590 -10.216 111 HD23 LEU 13 HD23 LEU 13 4.263 14.701 -10.708 112 H VAL 14 HN VAL 14 3.486 20.620 -11.072 113 HA VAL 14 HA VAL 14 0.683 20.754 -10.844 114 HB VAL 14 HB VAL 14 2.653 23.070 -11.141 115 HG11 VAL 14 HG11 VAL 14 0.333 23.838 -11.542 116 HG12 VAL 14 HG12 VAL 14 0.936 24.472 -10.011 117 HG13 VAL 14 HG13 VAL 14 -0.189 23.112 -10.017 118 HG21 VAL 14 HG21 VAL 14 1.591 21.752 -8.622 119 HG22 VAL 14 HG22 VAL 14 2.657 23.159 -8.688 120 HG23 VAL 14 HG23 VAL 14 3.223 21.597 -9.271 121 H LYS 15 HN LYS 15 2.866 22.208 -13.245 122 HA LYS 15 HA LYS 15 0.853 23.306 -14.894 123 HB2 LYS 15 HB2 LYS 15 3.767 22.680 -15.460 124 HB3 LYS 15 HB1 LYS 15 2.726 23.597 -16.546 125 HG2 LYS 15 HG2 LYS 15 2.395 25.306 -14.753 126 HG3 LYS 15 HG1 LYS 15 3.519 24.408 -13.725 127 HD2 LYS 15 HD2 LYS 15 4.192 25.651 -16.426 128 HD3 LYS 15 HD1 LYS 15 4.617 26.330 -14.853 129 HE2 LYS 15 HE2 LYS 15 6.068 24.422 -14.378 130 HE3 LYS 15 HE1 LYS 15 5.580 23.629 -15.878 131 HZ1 LYS 15 HZ1 LYS 15 6.547 25.507 -17.094 132 HZ2 LYS 15 HZ2 LYS 15 7.690 24.685 -16.163 133 HZ3 LYS 15 HZ3 LYS 15 7.083 26.172 -15.634 134 H LYS 16 HN LYS 16 2.566 20.197 -14.970 135 HA LYS 16 HA LYS 16 1.528 19.319 -17.479 136 HB2 LYS 16 HB2 LYS 16 3.521 18.289 -16.306 137 HB3 LYS 16 HB1 LYS 16 2.412 17.564 -15.154 138 HG2 LYS 16 HG2 LYS 16 3.058 15.922 -16.848 139 HG3 LYS 16 HG1 LYS 16 1.333 16.275 -16.978 140 HD2 LYS 16 HD2 LYS 16 2.271 16.175 -19.212 141 HD3 LYS 16 HD1 LYS 16 1.833 17.846 -18.867 142 HE2 LYS 16 HE2 LYS 16 4.256 18.271 -18.248 143 HE3 LYS 16 HE1 LYS 16 4.630 16.650 -18.842 144 HZ1 LYS 16 HZ1 LYS 16 3.430 18.855 -20.434 145 HZ2 LYS 16 HZ2 LYS 16 3.809 17.314 -21.018 146 HZ3 LYS 16 HZ3 LYS 16 5.041 18.352 -20.504 147 H ALA 17 HN ALA 17 0.334 19.208 -14.180 148 HA ALA 17 HA ALA 17 -1.940 17.522 -14.707 149 HB1 ALA 17 HB1 ALA 17 -2.696 18.177 -12.462 150 HB2 ALA 17 HB2 ALA 17 -1.435 19.412 -12.387 151 HB3 ALA 17 HB3 ALA 17 -0.994 17.704 -12.443 152 H LEU 18 HN LEU 18 -1.248 20.978 -14.909 153 HA LEU 18 HA LEU 18 -3.927 21.862 -15.327 154 HB2 LEU 18 HB2 LEU 18 -1.418 23.160 -16.470 155 HB3 LEU 18 HB1 LEU 18 -2.993 23.913 -16.269 156 HG LEU 18 HG LEU 18 -1.025 23.146 -14.088 157 HD11 LEU 18 HD11 LEU 18 -2.112 25.865 -14.866 158 HD12 LEU 18 HD12 LEU 18 -0.497 25.246 -15.216 159 HD13 LEU 18 HD13 LEU 18 -0.984 25.528 -13.546 160 HD21 LEU 18 HD21 LEU 18 -2.621 23.995 -12.432 161 HD22 LEU 18 HD22 LEU 18 -3.241 22.576 -13.267 162 HD23 LEU 18 HD23 LEU 18 -3.844 24.178 -13.693 163 H GLU 19 HN GLU 19 -1.377 20.641 -17.447 164 HA GLU 19 HA GLU 19 -2.706 20.992 -19.929 165 HB2 GLU 19 HB2 GLU 19 -0.537 19.007 -19.134 166 HB3 GLU 19 HB1 GLU 19 -1.046 19.313 -20.793 167 HG2 GLU 19 HG2 GLU 19 -0.288 21.658 -20.600 168 HG3 GLU 19 HG1 GLU 19 0.199 21.357 -18.929 169 H ILE 20 HN ILE 20 -2.264 18.016 -17.990 170 HA ILE 20 HA ILE 20 -3.948 16.397 -19.607 171 HB ILE 20 HB ILE 20 -2.959 15.857 -16.772 172 HG12 ILE 20 HG12 ILE 20 -1.057 16.247 -18.305 173 HG13 ILE 20 HG11 ILE 20 -1.125 14.548 -17.857 174 HG21 ILE 20 HG21 ILE 20 -3.328 13.450 -17.300 175 HG22 ILE 20 HG22 ILE 20 -4.043 13.909 -18.847 176 HG23 ILE 20 HG23 ILE 20 -4.828 14.376 -17.339 177 HD11 ILE 20 HD11 ILE 20 -2.050 15.734 -20.478 178 HD12 ILE 20 HD12 ILE 20 -2.147 14.029 -20.032 179 HD13 ILE 20 HD13 ILE 20 -0.576 14.810 -20.196 180 H GLY 21 HN GLY 21 -4.447 17.841 -16.368 181 HA2 GLY 21 HA2 GLY 21 -7.122 17.009 -15.999 182 HA3 GLY 21 HA1 GLY 21 -6.348 18.364 -15.189 183 H GLY 22 HN GLY 22 -5.724 19.883 -17.544 184 HA2 GLY 22 HA2 GLY 22 -8.113 21.338 -17.994 185 HA3 GLY 22 HA1 GLY 22 -6.605 21.525 -18.868 186 H LYS 23 HN LYS 23 -6.338 19.045 -20.101 187 HA LYS 23 HA LYS 23 -8.133 19.392 -22.308 188 HB2 LYS 23 HB2 LYS 23 -6.888 17.610 -23.452 189 HB3 LYS 23 HB1 LYS 23 -5.816 18.807 -22.762 190 HG2 LYS 23 HG2 LYS 23 -4.638 16.908 -22.243 191 HG3 LYS 23 HG1 LYS 23 -5.611 17.062 -20.784 192 HD2 LYS 23 HD2 LYS 23 -7.172 15.363 -21.613 193 HD3 LYS 23 HD1 LYS 23 -6.279 15.243 -23.132 194 HE2 LYS 23 HE2 LYS 23 -4.294 14.419 -21.878 195 HE3 LYS 23 HE1 LYS 23 -5.209 14.536 -20.372 196 HZ1 LYS 23 HZ1 LYS 23 -5.840 12.768 -22.668 197 HZ2 LYS 23 HZ2 LYS 23 -6.771 12.916 -21.267 198 HZ3 LYS 23 HZ3 LYS 23 -5.206 12.292 -21.173 199 H MET 24 HN MET 24 -7.847 17.034 -19.701 200 HA MET 24 HA MET 24 -9.794 15.186 -20.582 201 HB2 MET 24 HB2 MET 24 -8.744 15.871 -17.820 202 HB3 MET 24 HB1 MET 24 -10.016 14.668 -18.018 203 HG2 MET 24 HG2 MET 24 -8.373 13.498 -19.635 204 HG3 MET 24 HG1 MET 24 -7.144 14.553 -18.942 205 HE1 MET 24 HE1 MET 24 -7.866 13.418 -15.058 206 HE2 MET 24 HE2 MET 24 -9.003 14.442 -15.933 207 HE3 MET 24 HE3 MET 24 -7.269 14.765 -16.030 208 H ALA 25 HN ALA 25 -10.050 17.979 -18.356 209 HA ALA 25 HA ALA 25 -12.767 17.958 -17.800 210 HB1 ALA 25 HB1 ALA 25 -10.992 20.409 -18.120 211 HB2 ALA 25 HB2 ALA 25 -11.146 19.434 -16.658 212 HB3 ALA 25 HB3 ALA 25 -12.531 20.349 -17.258 213 H LYS 26 HN LYS 26 -11.064 19.678 -20.355 214 HA LYS 26 HA LYS 26 -13.063 21.019 -21.654 215 HB2 LYS 26 HB2 LYS 26 -10.653 21.262 -22.118 216 HB3 LYS 26 HB1 LYS 26 -10.609 19.669 -22.859 217 HG2 LYS 26 HG2 LYS 26 -12.067 20.453 -24.686 218 HG3 LYS 26 HG1 LYS 26 -12.179 22.048 -23.934 219 HD2 LYS 26 HD2 LYS 26 -9.652 20.746 -25.039 220 HD3 LYS 26 HD1 LYS 26 -10.548 22.072 -25.781 221 HE2 LYS 26 HE2 LYS 26 -10.025 23.482 -23.776 222 HE3 LYS 26 HE1 LYS 26 -9.024 22.170 -23.148 223 HZ1 LYS 26 HZ1 LYS 26 -7.625 22.362 -25.092 224 HZ2 LYS 26 HZ2 LYS 26 -7.727 23.843 -24.294 225 HZ3 LYS 26 HZ3 LYS 26 -8.599 23.590 -25.717 226 H MET 27 HN MET 27 -11.841 17.775 -22.476 227 HA MET 27 HA MET 27 -13.693 17.267 -24.584 228 HB2 MET 27 HB2 MET 27 -11.895 15.376 -23.032 229 HB3 MET 27 HB1 MET 27 -12.765 14.941 -24.500 230 HG2 MET 27 HG2 MET 27 -11.482 16.651 -25.755 231 HG3 MET 27 HG1 MET 27 -10.588 17.043 -24.287 232 HE1 MET 27 HE1 MET 27 -10.296 13.994 -23.067 233 HE2 MET 27 HE2 MET 27 -8.998 15.191 -23.021 234 HE3 MET 27 HE3 MET 27 -8.694 13.585 -23.684 235 H GLN 28 HN GLN 28 -13.691 16.440 -21.132 236 HA GLN 28 HA GLN 28 -15.938 14.679 -21.145 237 HB2 GLN 28 HB2 GLN 28 -14.747 16.374 -18.916 238 HB3 GLN 28 HB1 GLN 28 -16.093 15.269 -18.654 239 HG2 GLN 28 HG2 GLN 28 -13.268 14.542 -19.490 240 HG3 GLN 28 HG1 GLN 28 -14.010 14.245 -17.919 241 HE21 GLN 28 HE21 GLN 28 -13.804 13.214 -21.238 242 HE22 GLN 28 HE22 GLN 28 -14.640 11.715 -21.042 243 H GLY 29 HN GLY 29 -15.564 18.132 -21.188 244 HA2 GLY 29 HA2 GLY 29 -17.379 19.308 -22.367 245 HA3 GLY 29 HA1 GLY 29 -18.519 18.493 -21.301 246 H PHE 30 HN PHE 30 -15.450 20.286 -20.898 247 HA PHE 30 HA PHE 30 -16.818 22.231 -19.107 248 HB2 PHE 30 HB2 PHE 30 -14.248 20.735 -18.373 249 HB3 PHE 30 HB1 PHE 30 -14.834 22.154 -17.521 250 HD1 PHE 30 HD2 PHE 30 -16.854 22.019 -16.085 251 HD2 PHE 30 HD1 PHE 30 -15.274 18.535 -18.005 252 HE1 PHE 30 HE2 PHE 30 -18.159 20.582 -14.574 253 HE2 PHE 30 HE1 PHE 30 -16.585 17.109 -16.490 254 HZ PHE 30 HZ PHE 30 -18.026 18.132 -14.770 255 H ASP 31 HN ASP 31 -15.282 24.059 -18.564 256 HA ASP 31 HA ASP 31 -13.150 24.579 -20.492 257 HB2 ASP 31 HB2 ASP 31 -15.176 25.574 -21.534 258 HB3 ASP 31 HB1 ASP 31 -15.514 26.477 -20.057 259 H LEU 32 HN LEU 32 -11.616 24.535 -18.924 260 HA LEU 32 HA LEU 32 -11.872 25.990 -16.424 261 HB2 LEU 32 HB2 LEU 32 -9.416 24.657 -17.650 262 HB3 LEU 32 HB1 LEU 32 -9.565 25.230 -15.994 263 HG LEU 32 HG LEU 32 -11.029 22.864 -17.241 264 HD11 LEU 32 HD11 LEU 32 -8.692 22.408 -16.648 265 HD12 LEU 32 HD12 LEU 32 -9.797 21.511 -15.612 266 HD13 LEU 32 HD13 LEU 32 -8.988 22.958 -14.996 267 HD21 LEU 32 HD21 LEU 32 -11.362 23.959 -14.418 268 HD22 LEU 32 HD22 LEU 32 -12.064 22.463 -15.038 269 HD23 LEU 32 HD23 LEU 32 -12.576 24.011 -15.702 270 HA PRO 33 HA PRO 33 -10.540 29.890 -18.113 271 HB2 PRO 33 HB2 PRO 33 -9.447 31.128 -15.906 272 HB3 PRO 33 HB1 PRO 33 -11.185 30.853 -16.092 273 HG2 PRO 33 HG2 PRO 33 -9.167 29.199 -14.565 274 HG3 PRO 33 HG1 PRO 33 -10.763 29.788 -14.035 275 HD2 PRO 33 HD2 PRO 33 -10.441 27.263 -14.928 276 HD3 PRO 33 HD1 PRO 33 -11.920 28.176 -15.294 277 H GLN 34 HN GLN 34 -8.804 30.773 -19.132 278 HA GLN 34 HA GLN 34 -6.055 29.889 -18.592 279 HB2 GLN 34 HB2 GLN 34 -7.000 30.013 -20.957 280 HB3 GLN 34 HB1 GLN 34 -7.107 31.761 -20.772 281 HG2 GLN 34 HG2 GLN 34 -4.655 31.875 -20.497 282 HG3 GLN 34 HG1 GLN 34 -4.551 30.125 -20.678 283 HE21 GLN 34 HE21 GLN 34 -3.166 30.388 -22.460 284 HE22 GLN 34 HE22 GLN 34 -3.748 30.874 -24.012 285 H SER 35 HN SER 35 -8.125 32.049 -17.327 286 HA SER 35 HA SER 35 -6.946 34.510 -16.946 287 HB2 SER 35 HB2 SER 35 -8.526 32.794 -14.976 288 HB3 SER 35 HB1 SER 35 -8.350 34.542 -14.882 289 HG SER 35 HG SER 35 -10.329 33.754 -15.897 290 HA PRO 36 HA PRO 36 -3.258 35.202 -14.878 291 HB2 PRO 36 HB2 PRO 36 -4.282 34.610 -12.102 292 HB3 PRO 36 HB1 PRO 36 -3.225 35.913 -12.656 293 HG2 PRO 36 HG2 PRO 36 -6.015 36.077 -12.320 294 HG3 PRO 36 HG1 PRO 36 -5.011 37.244 -13.199 295 HD2 PRO 36 HD2 PRO 36 -7.016 35.588 -14.325 296 HD3 PRO 36 HD1 PRO 36 -5.787 36.496 -15.234 297 H GLN 37 HN GLN 37 -3.571 33.073 -12.098 298 HA GLN 37 HA GLN 37 -2.215 30.836 -13.398 299 HB2 GLN 37 HB2 GLN 37 -0.902 32.342 -11.093 300 HB3 GLN 37 HB1 GLN 37 -0.375 30.772 -11.683 301 HG2 GLN 37 HG2 GLN 37 0.226 31.764 -13.844 302 HG3 GLN 37 HG1 GLN 37 -0.349 33.339 -13.297 303 HE21 GLN 37 HE21 GLN 37 2.162 30.939 -12.979 304 HE22 GLN 37 HE22 GLN 37 3.292 31.933 -12.128 305 HA PRO 38 HA PRO 38 -3.328 29.293 -8.934 306 HB2 PRO 38 HB2 PRO 38 -4.697 30.829 -7.141 307 HB3 PRO 38 HB1 PRO 38 -2.936 30.925 -7.315 308 HG2 PRO 38 HG2 PRO 38 -5.052 32.711 -8.541 309 HG3 PRO 38 HG1 PRO 38 -3.576 33.177 -7.661 310 HD2 PRO 38 HD2 PRO 38 -3.667 33.165 -10.367 311 HD3 PRO 38 HD1 PRO 38 -2.188 32.709 -9.493 312 H VAL 39 HN VAL 39 -5.644 31.363 -10.521 313 HA VAL 39 HA VAL 39 -8.055 30.042 -9.862 314 HB VAL 39 HB VAL 39 -8.932 31.166 -11.996 315 HG11 VAL 39 HG11 VAL 39 -7.481 32.958 -10.003 316 HG12 VAL 39 HG12 VAL 39 -9.105 32.293 -9.814 317 HG13 VAL 39 HG13 VAL 39 -8.781 33.468 -11.089 318 HG21 VAL 39 HG21 VAL 39 -6.095 32.262 -12.130 319 HG22 VAL 39 HG22 VAL 39 -7.458 32.806 -13.111 320 HG23 VAL 39 HG23 VAL 39 -6.846 31.164 -13.293 321 H ARG 40 HN ARG 40 -5.625 29.457 -12.376 322 HA ARG 40 HA ARG 40 -7.132 27.468 -13.826 323 HB2 ARG 40 HB2 ARG 40 -4.110 27.891 -13.842 324 HB3 ARG 40 HB1 ARG 40 -5.065 27.036 -15.061 325 HG2 ARG 40 HG2 ARG 40 -6.166 29.169 -15.666 326 HG3 ARG 40 HG1 ARG 40 -5.192 30.011 -14.460 327 HD2 ARG 40 HD2 ARG 40 -4.234 30.337 -16.676 328 HD3 ARG 40 HD1 ARG 40 -3.135 29.362 -15.692 329 HE ARG 40 HE ARG 40 -4.846 27.668 -17.187 330 HH11 ARG 40 HH11 ARG 40 -2.120 29.827 -17.718 331 HH12 ARG 40 HH12 ARG 40 -1.522 28.928 -19.074 332 HH21 ARG 40 HH21 ARG 40 -4.052 26.508 -18.970 333 HH22 ARG 40 HH22 ARG 40 -2.616 27.046 -19.787 334 H VAL 41 HN VAL 41 -4.477 27.456 -11.489 335 HA VAL 41 HA VAL 41 -3.959 24.715 -11.319 336 HB VAL 41 HB VAL 41 -3.563 26.911 -9.226 337 HG11 VAL 41 HG11 VAL 41 -1.877 25.457 -8.164 338 HG12 VAL 41 HG12 VAL 41 -2.262 24.159 -9.298 339 HG13 VAL 41 HG13 VAL 41 -3.467 24.701 -8.136 340 HG21 VAL 41 HG21 VAL 41 -2.388 27.331 -11.360 341 HG22 VAL 41 HG22 VAL 41 -1.613 25.747 -11.263 342 HG23 VAL 41 HG23 VAL 41 -1.234 26.992 -10.069 343 H LYS 42 HN LYS 42 -6.132 26.744 -9.368 344 HA LYS 42 HA LYS 42 -7.100 24.590 -7.743 345 HB2 LYS 42 HB2 LYS 42 -7.123 26.986 -7.000 346 HB3 LYS 42 HB1 LYS 42 -8.395 27.307 -8.182 347 HG2 LYS 42 HG2 LYS 42 -9.663 25.330 -6.952 348 HG3 LYS 42 HG1 LYS 42 -8.534 25.671 -5.637 349 HD2 LYS 42 HD2 LYS 42 -10.449 27.643 -6.913 350 HD3 LYS 42 HD1 LYS 42 -10.682 26.842 -5.359 351 HE2 LYS 42 HE2 LYS 42 -8.620 27.969 -4.506 352 HE3 LYS 42 HE1 LYS 42 -8.472 28.816 -6.049 353 HZ1 LYS 42 HZ1 LYS 42 -10.579 29.887 -5.634 354 HZ2 LYS 42 HZ2 LYS 42 -9.525 30.167 -4.339 355 HZ3 LYS 42 HZ3 LYS 42 -10.769 29.034 -4.186 356 H ALA 43 HN ALA 43 -8.308 26.248 -10.711 357 HA ALA 43 HA ALA 43 -10.831 25.071 -10.967 358 HB1 ALA 43 HB1 ALA 43 -10.638 25.434 -13.399 359 HB2 ALA 43 HB2 ALA 43 -8.898 25.685 -13.232 360 HB3 ALA 43 HB3 ALA 43 -10.028 26.821 -12.497 361 H VAL 44 HN VAL 44 -7.692 23.793 -11.996 362 HA VAL 44 HA VAL 44 -8.606 21.323 -13.060 363 HB VAL 44 HB VAL 44 -5.857 22.105 -11.973 364 HG11 VAL 44 HG11 VAL 44 -6.079 19.644 -11.950 365 HG12 VAL 44 HG12 VAL 44 -4.956 20.153 -13.209 366 HG13 VAL 44 HG13 VAL 44 -6.596 19.658 -13.639 367 HG21 VAL 44 HG21 VAL 44 -6.884 21.950 -14.840 368 HG22 VAL 44 HG22 VAL 44 -5.255 22.405 -14.343 369 HG23 VAL 44 HG23 VAL 44 -6.617 23.434 -13.922 370 H TYR 45 HN TYR 45 -7.474 22.293 -9.800 371 HA TYR 45 HA TYR 45 -7.528 19.778 -8.535 372 HB2 TYR 45 HB2 TYR 45 -6.509 21.472 -7.287 373 HB3 TYR 45 HB1 TYR 45 -7.788 22.632 -7.600 374 HD1 TYR 45 HD1 TYR 45 -6.842 19.691 -5.502 375 HD2 TYR 45 HD2 TYR 45 -9.653 22.863 -6.087 376 HE1 TYR 45 HE1 TYR 45 -7.811 19.261 -3.276 377 HE2 TYR 45 HE2 TYR 45 -10.605 22.431 -3.876 378 HH TYR 45 HH TYR 45 -10.784 20.657 -2.280 379 H LEU 46 HN LEU 46 -10.102 22.239 -8.717 380 HA LEU 46 HA LEU 46 -12.124 20.953 -7.306 381 HB2 LEU 46 HB2 LEU 46 -12.271 22.996 -9.562 382 HB3 LEU 46 HB1 LEU 46 -13.673 22.501 -8.623 383 HG LEU 46 HG LEU 46 -11.210 23.897 -7.491 384 HD11 LEU 46 HD11 LEU 46 -13.972 25.032 -8.032 385 HD12 LEU 46 HD12 LEU 46 -12.492 25.415 -8.916 386 HD13 LEU 46 HD13 LEU 46 -12.647 25.874 -7.221 387 HD21 LEU 46 HD21 LEU 46 -12.238 22.445 -5.808 388 HD22 LEU 46 HD22 LEU 46 -13.820 23.170 -6.110 389 HD23 LEU 46 HD23 LEU 46 -12.519 24.138 -5.412 390 H PHE 47 HN PHE 47 -11.461 21.020 -10.792 391 HA PHE 47 HA PHE 47 -13.439 19.292 -11.718 392 HB2 PHE 47 HB2 PHE 47 -12.235 20.429 -13.417 393 HB3 PHE 47 HB1 PHE 47 -10.667 19.998 -12.741 394 HD1 PHE 47 HD1 PHE 47 -13.702 18.283 -14.230 395 HD2 PHE 47 HD2 PHE 47 -9.435 18.351 -13.875 396 HE1 PHE 47 HE1 PHE 47 -13.535 16.340 -15.736 397 HE2 PHE 47 HE2 PHE 47 -9.280 16.424 -15.385 398 HZ PHE 47 HZ PHE 47 -11.328 15.406 -16.313 399 H LEU 48 HN LEU 48 -10.139 18.469 -10.588 400 HA LEU 48 HA LEU 48 -10.296 15.714 -11.196 401 HB2 LEU 48 HB2 LEU 48 -8.398 17.232 -9.395 402 HB3 LEU 48 HB1 LEU 48 -8.236 15.513 -9.717 403 HG LEU 48 HG LEU 48 -7.989 17.747 -11.774 404 HD11 LEU 48 HD11 LEU 48 -6.076 17.614 -10.254 405 HD12 LEU 48 HD12 LEU 48 -5.627 17.110 -11.880 406 HD13 LEU 48 HD13 LEU 48 -5.880 15.897 -10.621 407 HD21 LEU 48 HD21 LEU 48 -7.324 16.005 -13.378 408 HD22 LEU 48 HD22 LEU 48 -8.977 15.758 -12.822 409 HD23 LEU 48 HD23 LEU 48 -7.674 14.751 -12.184 410 H VAL 49 HN VAL 49 -10.948 17.493 -8.170 411 HA VAL 49 HA VAL 49 -11.246 15.207 -6.503 412 HB VAL 49 HB VAL 49 -12.561 17.950 -6.176 413 HG11 VAL 49 HG11 VAL 49 -12.253 15.703 -4.131 414 HG12 VAL 49 HG12 VAL 49 -13.764 16.248 -4.863 415 HG13 VAL 49 HG13 VAL 49 -12.872 17.324 -3.791 416 HG21 VAL 49 HG21 VAL 49 -10.012 16.850 -4.914 417 HG22 VAL 49 HG22 VAL 49 -10.745 18.417 -4.556 418 HG23 VAL 49 HG23 VAL 49 -10.101 18.094 -6.164 419 H ASP 50 HN ASP 50 -13.586 17.182 -8.335 420 HA ASP 50 HA ASP 50 -15.879 15.569 -7.855 421 HB2 ASP 50 HB2 ASP 50 -15.183 17.648 -9.952 422 HB3 ASP 50 HB1 ASP 50 -16.731 16.810 -9.977 423 H ALA 51 HN ALA 51 -13.233 15.265 -10.119 424 HA ALA 51 HA ALA 51 -14.533 13.310 -11.855 425 HB1 ALA 51 HB1 ALA 51 -12.392 13.263 -13.070 426 HB2 ALA 51 HB2 ALA 51 -11.645 14.256 -11.816 427 HB3 ALA 51 HB3 ALA 51 -12.929 14.928 -12.818 428 H LYS 52 HN LYS 52 -13.404 13.119 -8.800 429 HA LYS 52 HA LYS 52 -12.986 11.463 -7.344 430 HB2 LYS 52 HB2 LYS 52 -13.569 9.529 -9.632 431 HB3 LYS 52 HB1 LYS 52 -13.586 9.136 -7.915 432 HG2 LYS 52 HG2 LYS 52 -15.512 11.009 -9.346 433 HG3 LYS 52 HG1 LYS 52 -15.869 9.368 -8.803 434 HD2 LYS 52 HD2 LYS 52 -15.166 11.708 -6.979 435 HD3 LYS 52 HD1 LYS 52 -16.800 11.121 -7.298 436 HE2 LYS 52 HE2 LYS 52 -16.222 8.946 -6.281 437 HE3 LYS 52 HE1 LYS 52 -14.577 9.514 -5.986 438 HZ1 LYS 52 HZ1 LYS 52 -17.024 10.717 -4.843 439 HZ2 LYS 52 HZ2 LYS 52 -15.436 11.197 -4.524 440 HZ3 LYS 52 HZ3 LYS 52 -15.976 9.675 -4.028 441 H GLN 53 HN GLN 53 -10.895 12.576 -9.047 442 HA GLN 53 HA GLN 53 -8.868 10.528 -9.384 443 HB2 GLN 53 HB2 GLN 53 -8.785 13.547 -9.832 444 HB3 GLN 53 HB1 GLN 53 -7.495 12.429 -10.260 445 HG2 GLN 53 HG2 GLN 53 -10.289 12.427 -11.443 446 HG3 GLN 53 HG1 GLN 53 -8.853 13.092 -12.224 447 HE21 GLN 53 HE21 GLN 53 -10.652 10.986 -13.133 448 HE22 GLN 53 HE22 GLN 53 -9.666 9.591 -13.395 449 H ILE 54 HN ILE 54 -9.274 13.544 -7.460 450 HA ILE 54 HA ILE 54 -7.305 12.536 -5.469 451 HB ILE 54 HB ILE 54 -6.577 14.922 -5.066 452 HG12 ILE 54 HG12 ILE 54 -8.128 15.504 -7.638 453 HG13 ILE 54 HG11 ILE 54 -8.572 16.066 -6.033 454 HG21 ILE 54 HG21 ILE 54 -5.072 15.076 -7.024 455 HG22 ILE 54 HG22 ILE 54 -6.054 13.881 -7.877 456 HG23 ILE 54 HG23 ILE 54 -5.178 13.423 -6.415 457 HD11 ILE 54 HD11 ILE 54 -6.103 16.864 -7.563 458 HD12 ILE 54 HD12 ILE 54 -6.557 17.442 -5.957 459 HD13 ILE 54 HD13 ILE 54 -7.564 17.825 -7.352 460 H ALA 55 HN ALA 55 -7.472 13.747 -3.361 461 HA ALA 55 HA ALA 55 -10.259 13.702 -2.444 462 HB1 ALA 55 HB1 ALA 55 -9.253 13.445 -0.194 463 HB2 ALA 55 HB2 ALA 55 -7.641 13.652 -0.885 464 HB3 ALA 55 HB3 ALA 55 -8.613 12.247 -1.322 465 HA PRO 56 HA PRO 56 -10.376 18.150 -1.982 466 HB2 PRO 56 HB2 PRO 56 -12.515 18.495 -0.354 467 HB3 PRO 56 HB1 PRO 56 -12.679 17.784 -1.966 468 HG2 PRO 56 HG2 PRO 56 -12.577 16.398 0.706 469 HG3 PRO 56 HG1 PRO 56 -13.655 16.096 -0.674 470 HD2 PRO 56 HD2 PRO 56 -11.369 14.619 -0.136 471 HD3 PRO 56 HD1 PRO 56 -12.093 14.767 -1.751 472 H LEU 57 HN LEU 57 -8.898 19.295 -0.975 473 HA LEU 57 HA LEU 57 -7.969 19.064 1.703 474 HB2 LEU 57 HB2 LEU 57 -7.756 21.371 -0.277 475 HB3 LEU 57 HB1 LEU 57 -6.781 21.186 1.175 476 HG LEU 57 HG LEU 57 -6.730 19.188 -1.126 477 HD11 LEU 57 HD11 LEU 57 -4.628 20.225 -1.850 478 HD12 LEU 57 HD12 LEU 57 -4.825 21.493 -0.637 479 HD13 LEU 57 HD13 LEU 57 -5.979 21.350 -1.966 480 HD21 LEU 57 HD21 LEU 57 -5.960 18.269 1.044 481 HD22 LEU 57 HD22 LEU 57 -4.783 19.578 1.186 482 HD23 LEU 57 HD23 LEU 57 -4.637 18.393 -0.113 483 HA PRO 58 HA PRO 58 -11.177 21.657 3.697 484 HB2 PRO 58 HB2 PRO 58 -9.957 22.217 6.061 485 HB3 PRO 58 HB1 PRO 58 -10.501 20.578 5.668 486 HG2 PRO 58 HG2 PRO 58 -7.728 21.754 5.421 487 HG3 PRO 58 HG1 PRO 58 -8.224 20.212 6.158 488 HD2 PRO 58 HD2 PRO 58 -7.244 20.364 3.614 489 HD3 PRO 58 HD1 PRO 58 -8.453 19.152 4.091 490 H ASP 59 HN ASP 59 -11.212 23.918 4.886 491 HA ASP 59 HA ASP 59 -10.370 25.881 3.025 492 HB2 ASP 59 HB2 ASP 59 -11.435 26.171 5.866 493 HB3 ASP 59 HB1 ASP 59 -11.201 27.531 4.767 494 H SER 60 HN SER 60 -8.902 24.675 5.954 495 HA SER 60 HA SER 60 -6.977 26.709 6.412 496 HB2 SER 60 HB2 SER 60 -5.811 24.905 7.740 497 HB3 SER 60 HB1 SER 60 -7.521 25.080 8.150 498 HG SER 60 HG SER 60 -6.237 22.924 7.210 499 H LYS 61 HN LYS 61 -7.046 23.818 4.382 500 HA LYS 61 HA LYS 61 -4.334 24.368 3.324 501 HB2 LYS 61 HB2 LYS 61 -5.887 21.737 3.387 502 HB3 LYS 61 HB1 LYS 61 -4.272 21.953 2.706 503 HG2 LYS 61 HG2 LYS 61 -5.048 22.315 5.625 504 HG3 LYS 61 HG1 LYS 61 -4.155 20.946 4.946 505 HD2 LYS 61 HD2 LYS 61 -2.268 22.397 4.386 506 HD3 LYS 61 HD1 LYS 61 -3.170 23.833 4.874 507 HE2 LYS 61 HE2 LYS 61 -3.186 23.053 7.194 508 HE3 LYS 61 HE1 LYS 61 -2.312 21.591 6.721 509 HZ1 LYS 61 HZ1 LYS 61 -0.821 23.253 7.635 510 HZ2 LYS 61 HZ2 LYS 61 -1.303 24.377 6.467 511 HZ3 LYS 61 HZ3 LYS 61 -0.463 22.983 6.004 512 H LEU 62 HN LEU 62 -7.197 25.327 2.545 513 HA LEU 62 HA LEU 62 -7.091 24.665 -0.320 514 HB2 LEU 62 HB2 LEU 62 -9.267 25.220 1.323 515 HB3 LEU 62 HB1 LEU 62 -8.999 26.794 0.603 516 HG LEU 62 HG LEU 62 -10.703 25.504 -0.636 517 HD11 LEU 62 HD11 LEU 62 -8.193 25.880 -2.303 518 HD12 LEU 62 HD12 LEU 62 -9.370 27.134 -1.904 519 HD13 LEU 62 HD13 LEU 62 -9.848 25.770 -2.910 520 HD21 LEU 62 HD21 LEU 62 -10.128 23.466 -1.873 521 HD22 LEU 62 HD22 LEU 62 -9.877 23.240 -0.144 522 HD23 LEU 62 HD23 LEU 62 -8.490 23.498 -1.207 523 H ASP 63 HN ASP 63 -5.034 25.433 -0.488 524 HA ASP 63 HA ASP 63 -4.611 28.308 -0.839 525 HB2 ASP 63 HB2 ASP 63 -3.875 28.010 1.455 526 HB3 ASP 63 HB1 ASP 63 -3.082 26.488 1.081 527 H GLY 64 HN GLY 64 -2.940 28.696 -2.331 528 HA2 GLY 64 HA2 GLY 64 -2.902 27.203 -4.599 529 HA3 GLY 64 HA1 GLY 64 -1.650 28.359 -4.183 530 H ALA 65 HN ALA 65 -0.331 27.096 -2.090 531 HA ALA 65 HA ALA 65 1.425 25.355 -3.510 532 HB1 ALA 65 HB1 ALA 65 2.625 25.150 -1.369 533 HB2 ALA 65 HB2 ALA 65 1.258 25.882 -0.522 534 HB3 ALA 65 HB3 ALA 65 2.176 26.828 -1.693 535 H ASN 66 HN ASN 66 -1.185 24.747 -1.201 536 HA ASN 66 HA ASN 66 -0.662 21.934 -0.844 537 HB2 ASN 66 HB2 ASN 66 -3.154 23.582 -0.204 538 HB3 ASN 66 HB1 ASN 66 -2.879 21.918 0.315 539 HD21 ASN 66 HD21 ASN 66 -1.846 25.247 0.728 540 HD22 ASN 66 HD22 ASN 66 -1.037 25.007 2.233 541 H ILE 67 HN ILE 67 -2.800 23.885 -2.874 542 HA ILE 67 HA ILE 67 -4.343 21.866 -4.096 543 HB ILE 67 HB ILE 67 -3.407 24.558 -5.223 544 HG12 ILE 67 HG12 ILE 67 -4.766 24.852 -3.181 545 HG13 ILE 67 HG11 ILE 67 -5.652 25.429 -4.578 546 HG21 ILE 67 HG21 ILE 67 -5.281 24.385 -6.833 547 HG22 ILE 67 HG22 ILE 67 -5.614 22.754 -6.251 548 HG23 ILE 67 HG23 ILE 67 -4.086 23.107 -7.054 549 HD11 ILE 67 HD11 ILE 67 -6.087 22.818 -3.140 550 HD12 ILE 67 HD12 ILE 67 -6.971 23.368 -4.568 551 HD13 ILE 67 HD13 ILE 67 -7.100 24.260 -3.051 552 H LYS 68 HN LYS 68 -1.312 23.425 -5.008 553 HA LYS 68 HA LYS 68 -0.615 22.128 -7.357 554 HB2 LYS 68 HB2 LYS 68 1.078 23.277 -5.110 555 HB3 LYS 68 HB1 LYS 68 1.784 22.675 -6.605 556 HG2 LYS 68 HG2 LYS 68 0.485 24.354 -7.885 557 HG3 LYS 68 HG1 LYS 68 -0.177 24.978 -6.371 558 HD2 LYS 68 HD2 LYS 68 2.099 25.557 -5.608 559 HD3 LYS 68 HD1 LYS 68 2.776 24.911 -7.107 560 HE2 LYS 68 HE2 LYS 68 1.491 26.635 -8.374 561 HE3 LYS 68 HE1 LYS 68 0.926 27.302 -6.837 562 HZ1 LYS 68 HZ1 LYS 68 3.766 27.093 -7.683 563 HZ2 LYS 68 HZ2 LYS 68 3.209 27.770 -6.238 564 HZ3 LYS 68 HZ3 LYS 68 2.837 28.507 -7.713 565 H HIS 69 HN HIS 69 -0.107 21.161 -4.006 566 HA HIS 69 HA HIS 69 1.635 18.989 -4.431 567 HB2 HIS 69 HB2 HIS 69 1.244 20.208 -2.252 568 HB3 HIS 69 HB1 HIS 69 -0.294 19.367 -2.112 569 HD1 HIS 69 HD1 HIS 69 -0.241 17.072 -1.098 570 HD2 HIS 69 HD2 HIS 69 3.564 18.437 -2.062 571 HE1 HIS 69 HE1 HIS 69 1.335 15.434 -0.052 572 HE2 HIS 69 HE2 HIS 69 3.628 16.264 -0.666 573 H ARG 70 HN ARG 70 -1.911 19.148 -4.076 574 HA ARG 70 HA ARG 70 -2.516 16.406 -4.351 575 HB2 ARG 70 HB2 ARG 70 -4.104 18.933 -4.888 576 HB3 ARG 70 HB1 ARG 70 -4.772 17.381 -5.365 577 HG2 ARG 70 HG2 ARG 70 -3.992 18.162 -2.538 578 HG3 ARG 70 HG1 ARG 70 -5.636 18.093 -3.185 579 HD2 ARG 70 HD2 ARG 70 -5.317 15.652 -3.629 580 HD3 ARG 70 HD1 ARG 70 -3.725 15.749 -2.870 581 HE ARG 70 HE ARG 70 -6.139 16.505 -1.339 582 HH11 ARG 70 HH11 ARG 70 -3.412 14.325 -1.743 583 HH12 ARG 70 HH12 ARG 70 -3.622 13.584 -0.187 584 HH21 ARG 70 HH21 ARG 70 -6.381 15.520 0.708 585 HH22 ARG 70 HH22 ARG 70 -5.285 14.260 1.196 586 H LEU 71 HN LEU 71 -2.299 18.969 -6.815 587 HA LEU 71 HA LEU 71 -2.896 17.424 -9.096 588 HB2 LEU 71 HB2 LEU 71 -1.079 19.861 -8.921 589 HB3 LEU 71 HB1 LEU 71 -1.833 19.241 -10.377 590 HG LEU 71 HG LEU 71 -3.194 20.630 -8.046 591 HD11 LEU 71 HD11 LEU 71 -2.110 22.111 -9.674 592 HD12 LEU 71 HD12 LEU 71 -3.861 22.290 -9.702 593 HD13 LEU 71 HD13 LEU 71 -3.050 21.381 -10.982 594 HD21 LEU 71 HD21 LEU 71 -4.655 18.789 -8.694 595 HD22 LEU 71 HD22 LEU 71 -4.561 19.270 -10.390 596 HD23 LEU 71 HD23 LEU 71 -5.346 20.325 -9.212 597 H ALA 72 HN ALA 72 0.099 18.008 -7.376 598 HA ALA 72 HA ALA 72 1.957 17.128 -9.302 599 HB1 ALA 72 HB1 ALA 72 3.594 17.194 -7.478 600 HB2 ALA 72 HB2 ALA 72 2.291 17.313 -6.293 601 HB3 ALA 72 HB3 ALA 72 2.561 18.626 -7.441 602 H LEU 73 HN LEU 73 0.791 15.512 -6.313 603 HA LEU 73 HA LEU 73 2.066 13.024 -6.817 604 HB2 LEU 73 HB2 LEU 73 -0.167 13.816 -4.951 605 HB3 LEU 73 HB1 LEU 73 0.268 12.124 -5.148 606 HG LEU 73 HG LEU 73 2.683 12.857 -4.554 607 HD11 LEU 73 HD11 LEU 73 1.241 15.282 -3.469 608 HD12 LEU 73 HD12 LEU 73 2.433 15.259 -4.771 609 HD13 LEU 73 HD13 LEU 73 2.920 14.834 -3.130 610 HD21 LEU 73 HD21 LEU 73 1.344 11.463 -3.120 611 HD22 LEU 73 HD22 LEU 73 0.531 12.874 -2.434 612 HD23 LEU 73 HD23 LEU 73 2.255 12.622 -2.153 613 H TRP 74 HN TRP 74 -1.088 14.299 -7.710 614 HA TRP 74 HA TRP 74 -2.357 11.973 -8.594 615 HB2 TRP 74 HB2 TRP 74 -3.596 14.061 -8.420 616 HB3 TRP 74 HB1 TRP 74 -2.576 14.833 -9.629 617 HD1 TRP 74 HD1 TRP 74 -5.107 11.887 -9.417 618 HE1 TRP 74 HE1 TRP 74 -6.260 11.665 -11.700 619 HE3 TRP 74 HE3 TRP 74 -2.597 15.540 -11.960 620 HZ2 TRP 74 HZ2 TRP 74 -6.142 12.875 -14.220 621 HZ3 TRP 74 HZ3 TRP 74 -3.186 15.959 -14.316 622 HH2 TRP 74 HH2 TRP 74 -4.930 14.646 -15.418 623 H ILE 75 HN ILE 75 -0.576 14.346 -10.617 624 HA ILE 75 HA ILE 75 -0.654 12.720 -12.961 625 HB ILE 75 HB ILE 75 -0.545 15.217 -13.040 626 HG12 ILE 75 HG12 ILE 75 0.999 15.411 -14.980 627 HG13 ILE 75 HG11 ILE 75 1.779 13.894 -14.547 628 HG21 ILE 75 HG21 ILE 75 2.351 14.884 -12.187 629 HG22 ILE 75 HG22 ILE 75 1.054 15.607 -11.234 630 HG23 ILE 75 HG23 ILE 75 1.598 16.390 -12.717 631 HD11 ILE 75 HD11 ILE 75 0.247 13.644 -16.421 632 HD12 ILE 75 HD12 ILE 75 -1.094 14.214 -15.430 633 HD13 ILE 75 HD13 ILE 75 -0.291 12.690 -15.040 634 H HIS 76 HN HIS 76 1.553 12.940 -10.269 635 HA HIS 76 HA HIS 76 3.838 11.761 -11.493 636 HB2 HIS 76 HB2 HIS 76 3.603 13.009 -9.152 637 HB3 HIS 76 HB1 HIS 76 3.310 11.388 -8.516 638 HD1 HIS 76 HD1 HIS 76 5.620 11.825 -7.210 639 HD2 HIS 76 HD2 HIS 76 5.966 11.538 -11.327 640 HE1 HIS 76 HE1 HIS 76 8.065 11.676 -7.653 641 HE2 HIS 76 HE2 HIS 76 8.264 11.485 -10.169 642 H ALA 77 HN ALA 77 1.075 10.440 -9.696 643 HA ALA 77 HA ALA 77 1.911 7.672 -9.964 644 HB1 ALA 77 HB1 ALA 77 -0.732 8.857 -9.055 645 HB2 ALA 77 HB2 ALA 77 0.623 8.424 -8.012 646 HB3 ALA 77 HB3 ALA 77 -0.248 7.166 -8.893 647 H ALA 78 HN ALA 78 0.004 9.933 -11.804 648 HA ALA 78 HA ALA 78 -1.532 8.104 -13.371 649 HB1 ALA 78 HB1 ALA 78 -2.048 10.032 -14.807 650 HB2 ALA 78 HB2 ALA 78 -0.784 10.980 -14.018 651 HB3 ALA 78 HB3 ALA 78 -2.203 10.470 -13.104 652 H LEU 79 HN LEU 79 1.604 9.705 -13.831 653 HA LEU 79 HA LEU 79 2.194 8.497 -16.365 654 HB2 LEU 79 HB2 LEU 79 4.020 9.742 -14.279 655 HB3 LEU 79 HB1 LEU 79 4.563 9.193 -15.858 656 HG LEU 79 HG LEU 79 2.618 11.477 -15.324 657 HD11 LEU 79 HD11 LEU 79 4.396 12.906 -16.253 658 HD12 LEU 79 HD12 LEU 79 5.455 11.500 -16.405 659 HD13 LEU 79 HD13 LEU 79 4.938 12.052 -14.809 660 HD21 LEU 79 HD21 LEU 79 2.665 11.889 -17.767 661 HD22 LEU 79 HD22 LEU 79 1.957 10.322 -17.394 662 HD23 LEU 79 HD23 LEU 79 3.611 10.416 -18.003 663 HA PRO 80 HA PRO 80 2.823 4.298 -14.770 664 HB2 PRO 80 HB2 PRO 80 4.487 4.081 -17.288 665 HB3 PRO 80 HB1 PRO 80 3.234 2.991 -16.672 666 HG2 PRO 80 HG2 PRO 80 2.669 4.642 -18.673 667 HG3 PRO 80 HG1 PRO 80 1.486 4.400 -17.368 668 HD2 PRO 80 HD2 PRO 80 3.352 6.722 -17.828 669 HD3 PRO 80 HD1 PRO 80 1.664 6.726 -17.274 670 H ASP 81 HN ASP 81 5.620 6.105 -16.070 671 HA ASP 81 HA ASP 81 7.567 4.511 -14.612 672 HB2 ASP 81 HB2 ASP 81 7.985 7.071 -16.222 673 HB3 ASP 81 HB1 ASP 81 9.267 6.038 -15.598 674 H ASN 82 HN ASN 82 5.660 7.262 -13.912 675 HA ASN 82 HA ASN 82 5.567 8.837 -12.283 676 HB2 ASN 82 HB2 ASN 82 7.493 7.116 -10.663 677 HB3 ASN 82 HB1 ASN 82 6.288 8.236 -10.045 678 HD21 ASN 82 HD21 ASN 82 4.073 7.341 -11.653 679 HD22 ASN 82 HD22 ASN 82 3.657 5.758 -11.116 680 H ASP 83 HN ASP 83 6.935 9.768 -14.139 681 HA ASP 83 HA ASP 83 9.745 9.903 -14.101 682 HB2 ASP 83 HB2 ASP 83 7.722 11.680 -15.552 683 HB3 ASP 83 HB1 ASP 83 9.427 11.521 -15.975 684 HA PRO 84 HA PRO 84 10.460 14.010 -11.998 685 HB2 PRO 84 HB2 PRO 84 12.503 15.063 -13.488 686 HB3 PRO 84 HB1 PRO 84 12.761 13.731 -12.350 687 HG2 PRO 84 HG2 PRO 84 12.329 13.596 -15.343 688 HG3 PRO 84 HG1 PRO 84 13.589 12.806 -14.366 689 HD2 PRO 84 HD2 PRO 84 11.370 11.476 -15.145 690 HD3 PRO 84 HD1 PRO 84 12.116 11.165 -13.562 691 H LEU 85 HN LEU 85 9.378 13.513 -15.198 692 HA LEU 85 HA LEU 85 8.084 14.588 -16.672 693 HB2 LEU 85 HB2 LEU 85 7.580 16.511 -14.374 694 HB3 LEU 85 HB1 LEU 85 6.776 16.643 -15.932 695 HG LEU 85 HG LEU 85 6.016 14.185 -15.496 696 HD11 LEU 85 HD11 LEU 85 7.391 13.693 -13.579 697 HD12 LEU 85 HD12 LEU 85 5.690 13.598 -13.127 698 HD13 LEU 85 HD13 LEU 85 6.655 15.009 -12.664 699 HD21 LEU 85 HD21 LEU 85 4.818 16.456 -13.902 700 HD22 LEU 85 HD22 LEU 85 4.006 14.945 -14.323 701 HD23 LEU 85 HD23 LEU 85 4.491 16.066 -15.589 702 H LYS 86 HN LYS 86 10.963 15.331 -16.249 703 HA LYS 86 HA LYS 86 11.494 18.045 -16.533 704 HB2 LYS 86 HB2 LYS 86 13.055 16.023 -15.940 705 HB3 LYS 86 HB1 LYS 86 13.315 15.881 -17.668 706 HG2 LYS 86 HG2 LYS 86 13.944 18.368 -16.030 707 HG3 LYS 86 HG1 LYS 86 15.123 17.120 -16.428 708 HD2 LYS 86 HD2 LYS 86 13.652 18.898 -18.417 709 HD3 LYS 86 HD1 LYS 86 15.330 19.094 -17.906 710 HE2 LYS 86 HE2 LYS 86 15.937 16.974 -18.973 711 HE3 LYS 86 HE1 LYS 86 14.246 16.651 -19.362 712 HZ1 LYS 86 HZ1 LYS 86 15.882 18.873 -20.439 713 HZ2 LYS 86 HZ2 LYS 86 14.246 18.621 -20.773 714 HZ3 LYS 86 HZ3 LYS 86 15.396 17.491 -21.275 Start of MODEL 8 1 H MET 1 HT1 MET 1 -0.592 1.779 -0.522 2 HA MET 1 HA MET 1 0.519 1.509 -2.604 3 HB2 MET 1 HB2 MET 1 -1.238 2.417 -4.087 4 HB3 MET 1 HB1 MET 1 -1.009 4.024 -3.412 5 HG2 MET 1 HG2 MET 1 1.292 4.058 -4.344 6 HG3 MET 1 HG1 MET 1 1.004 2.477 -5.064 7 HE1 MET 1 HE1 MET 1 1.797 3.513 -7.425 8 HE2 MET 1 HE2 MET 1 2.024 5.095 -6.675 9 HE3 MET 1 HE3 MET 1 1.059 4.943 -8.144 10 H SER 2 HN SER 2 2.576 2.361 -2.764 11 HA SER 2 HA SER 2 3.554 4.062 -0.695 12 HB2 SER 2 HB2 SER 2 5.748 3.779 -1.931 13 HB3 SER 2 HB1 SER 2 4.947 2.254 -1.553 14 HG SER 2 HG SER 2 5.675 2.250 -3.689 15 H LYS 3 HN LYS 3 4.855 6.041 -1.086 16 HA LYS 3 HA LYS 3 3.635 7.968 -2.783 17 HB2 LYS 3 HB2 LYS 3 6.199 8.002 -1.147 18 HB3 LYS 3 HB1 LYS 3 5.723 9.372 -2.147 19 HG2 LYS 3 HG2 LYS 3 4.073 8.219 0.138 20 HG3 LYS 3 HG1 LYS 3 5.088 9.667 0.226 21 HD2 LYS 3 HD2 LYS 3 3.692 10.727 -1.544 22 HD3 LYS 3 HD1 LYS 3 2.659 9.295 -1.576 23 HE2 LYS 3 HE2 LYS 3 3.064 11.096 0.839 24 HE3 LYS 3 HE1 LYS 3 1.688 11.162 -0.262 25 HZ1 LYS 3 HZ1 LYS 3 1.160 9.910 1.715 26 HZ2 LYS 3 HZ2 LYS 3 2.439 8.846 1.434 27 HZ3 LYS 3 HZ3 LYS 3 1.129 8.891 0.365 28 H THR 4 HN THR 4 4.127 8.614 -4.773 29 HA THR 4 HA THR 4 5.372 6.823 -6.539 30 HB THR 4 HB THR 4 4.887 8.663 -8.253 31 HG1 THR 4 HG1 THR 4 3.266 10.096 -6.614 32 HG21 THR 4 HG21 THR 4 2.595 7.857 -6.421 33 HG22 THR 4 HG22 THR 4 3.222 6.896 -7.761 34 HG23 THR 4 HG23 THR 4 2.432 8.442 -8.077 35 H ALA 5 HN ALA 5 7.510 6.517 -6.251 36 HA ALA 5 HA ALA 5 9.741 6.779 -6.186 37 HB1 ALA 5 HB1 ALA 5 9.332 7.197 -8.566 38 HB2 ALA 5 HB2 ALA 5 10.744 8.082 -7.988 39 HB3 ALA 5 HB3 ALA 5 9.217 8.930 -8.251 40 H LYS 6 HN LYS 6 9.569 10.243 -6.876 41 HA LYS 6 HA LYS 6 10.643 10.830 -4.168 42 HB2 LYS 6 HB2 LYS 6 11.770 11.797 -6.829 43 HB3 LYS 6 HB1 LYS 6 12.278 12.404 -5.261 44 HG2 LYS 6 HG2 LYS 6 12.565 9.480 -6.022 45 HG3 LYS 6 HG1 LYS 6 13.779 10.685 -6.439 46 HD2 LYS 6 HD2 LYS 6 14.612 9.742 -4.452 47 HD3 LYS 6 HD1 LYS 6 13.857 11.233 -3.901 48 HE2 LYS 6 HE2 LYS 6 11.855 9.907 -3.203 49 HE3 LYS 6 HE1 LYS 6 12.689 8.431 -3.687 50 HZ1 LYS 6 HZ1 LYS 6 12.905 8.761 -1.342 51 HZ2 LYS 6 HZ2 LYS 6 13.516 10.324 -1.556 52 HZ3 LYS 6 HZ3 LYS 6 14.424 8.988 -2.053 53 H LEU 7 HN LEU 7 9.927 12.674 -7.154 54 HA LEU 7 HA LEU 7 8.765 14.533 -7.644 55 HB2 LEU 7 HB2 LEU 7 6.894 13.207 -6.475 56 HB3 LEU 7 HB1 LEU 7 7.179 14.211 -5.070 57 HG LEU 7 HG LEU 7 6.435 15.418 -7.764 58 HD11 LEU 7 HD11 LEU 7 4.711 13.789 -7.189 59 HD12 LEU 7 HD12 LEU 7 4.089 15.431 -7.057 60 HD13 LEU 7 HD13 LEU 7 4.516 14.527 -5.599 61 HD21 LEU 7 HD21 LEU 7 7.308 17.027 -6.106 62 HD22 LEU 7 HD22 LEU 7 6.088 16.505 -4.943 63 HD23 LEU 7 HD23 LEU 7 5.598 17.316 -6.433 64 H ASN 8 HN ASN 8 10.051 16.243 -7.580 65 HA ASN 8 HA ASN 8 10.675 17.640 -5.053 66 HB2 ASN 8 HB2 ASN 8 12.742 17.017 -7.225 67 HB3 ASN 8 HB1 ASN 8 13.035 17.918 -5.741 68 HD21 ASN 8 HD21 ASN 8 12.987 16.746 -3.710 69 HD22 ASN 8 HD22 ASN 8 13.285 15.044 -3.692 70 H ASN 9 HN ASN 9 10.776 17.712 -8.610 71 HA ASN 9 HA ASN 9 10.765 20.634 -8.769 72 HB2 ASN 9 HB2 ASN 9 10.488 18.602 -11.047 73 HB3 ASN 9 HB1 ASN 9 10.888 20.308 -11.202 74 HD21 ASN 9 HD21 ASN 9 12.087 17.135 -10.440 75 HD22 ASN 9 HD22 ASN 9 13.759 17.547 -10.390 76 H GLU 10 HN GLU 10 8.663 20.431 -7.409 77 HA GLU 10 HA GLU 10 6.355 19.102 -8.144 78 HB2 GLU 10 HB2 GLU 10 6.706 20.139 -5.919 79 HB3 GLU 10 HB1 GLU 10 6.552 21.740 -6.638 80 HG2 GLU 10 HG2 GLU 10 4.196 21.161 -7.291 81 HG3 GLU 10 HG1 GLU 10 4.371 19.642 -6.416 82 H GLU 11 HN GLU 11 7.300 22.413 -8.994 83 HA GLU 11 HA GLU 11 4.940 23.362 -10.110 84 HB2 GLU 11 HB2 GLU 11 7.812 24.104 -10.789 85 HB3 GLU 11 HB1 GLU 11 6.399 25.029 -11.309 86 HG2 GLU 11 HG2 GLU 11 5.802 25.471 -8.978 87 HG3 GLU 11 HG1 GLU 11 7.156 24.497 -8.420 88 H LYS 12 HN LYS 12 7.481 21.443 -11.621 89 HA LYS 12 HA LYS 12 6.641 21.577 -14.329 90 HB2 LYS 12 HB2 LYS 12 8.161 19.389 -12.839 91 HB3 LYS 12 HB1 LYS 12 7.970 19.432 -14.590 92 HG2 LYS 12 HG2 LYS 12 9.392 21.537 -12.919 93 HG3 LYS 12 HG1 LYS 12 10.188 20.261 -13.855 94 HD2 LYS 12 HD2 LYS 12 8.369 22.388 -15.050 95 HD3 LYS 12 HD1 LYS 12 10.125 22.512 -14.992 96 HE2 LYS 12 HE2 LYS 12 8.638 20.268 -16.403 97 HE3 LYS 12 HE1 LYS 12 9.189 21.740 -17.200 98 HZ1 LYS 12 HZ1 LYS 12 10.992 19.866 -15.773 99 HZ2 LYS 12 HZ2 LYS 12 11.435 21.182 -16.739 100 HZ3 LYS 12 HZ3 LYS 12 10.700 19.834 -17.436 101 H LEU 13 HN LEU 13 5.846 19.366 -11.695 102 HA LEU 13 HA LEU 13 4.145 17.640 -13.206 103 HB2 LEU 13 HB2 LEU 13 4.437 18.041 -10.213 104 HB3 LEU 13 HB1 LEU 13 3.404 16.826 -10.945 105 HG LEU 13 HG LEU 13 5.662 16.079 -12.150 106 HD11 LEU 13 HD11 LEU 13 6.775 17.328 -9.633 107 HD12 LEU 13 HD12 LEU 13 7.076 17.873 -11.285 108 HD13 LEU 13 HD13 LEU 13 7.649 16.289 -10.766 109 HD21 LEU 13 HD21 LEU 13 4.332 14.644 -10.728 110 HD22 LEU 13 HD22 LEU 13 5.035 15.373 -9.284 111 HD23 LEU 13 HD23 LEU 13 6.048 14.432 -10.384 112 H VAL 14 HN VAL 14 3.640 20.528 -11.236 113 HA VAL 14 HA VAL 14 0.831 20.595 -11.168 114 HB VAL 14 HB VAL 14 2.794 22.934 -11.227 115 HG11 VAL 14 HG11 VAL 14 0.975 24.304 -10.223 116 HG12 VAL 14 HG12 VAL 14 -0.142 22.948 -10.399 117 HG13 VAL 14 HG13 VAL 14 0.531 23.725 -11.832 118 HG21 VAL 14 HG21 VAL 14 3.175 21.397 -9.351 119 HG22 VAL 14 HG22 VAL 14 1.485 21.531 -8.871 120 HG23 VAL 14 HG23 VAL 14 2.544 22.940 -8.770 121 H LYS 15 HN LYS 15 3.151 21.935 -13.538 122 HA LYS 15 HA LYS 15 1.377 23.098 -15.374 123 HB2 LYS 15 HB2 LYS 15 4.046 21.744 -15.983 124 HB3 LYS 15 HB1 LYS 15 3.193 22.847 -17.066 125 HG2 LYS 15 HG2 LYS 15 3.523 24.688 -15.529 126 HG3 LYS 15 HG1 LYS 15 4.223 23.607 -14.328 127 HD2 LYS 15 HD2 LYS 15 6.062 23.093 -16.021 128 HD3 LYS 15 HD1 LYS 15 5.406 24.409 -17.004 129 HE2 LYS 15 HE2 LYS 15 6.541 24.635 -14.196 130 HE3 LYS 15 HE1 LYS 15 7.281 25.226 -15.684 131 HZ1 LYS 15 HZ1 LYS 15 4.752 26.218 -14.471 132 HZ2 LYS 15 HZ2 LYS 15 5.404 26.752 -15.939 133 HZ3 LYS 15 HZ3 LYS 15 6.243 27.022 -14.496 134 H LYS 16 HN LYS 16 2.708 19.796 -15.220 135 HA LYS 16 HA LYS 16 1.469 18.860 -17.609 136 HB2 LYS 16 HB2 LYS 16 3.525 17.857 -16.517 137 HB3 LYS 16 HB1 LYS 16 2.473 17.154 -15.297 138 HG2 LYS 16 HG2 LYS 16 3.042 15.481 -16.986 139 HG3 LYS 16 HG1 LYS 16 1.313 15.836 -17.049 140 HD2 LYS 16 HD2 LYS 16 2.147 15.696 -19.321 141 HD3 LYS 16 HD1 LYS 16 1.736 17.374 -18.982 142 HE2 LYS 16 HE2 LYS 16 4.185 17.793 -18.495 143 HE3 LYS 16 HE1 LYS 16 4.523 16.157 -19.069 144 HZ1 LYS 16 HZ1 LYS 16 3.322 18.374 -20.637 145 HZ2 LYS 16 HZ2 LYS 16 3.525 16.793 -21.205 146 HZ3 LYS 16 HZ3 LYS 16 4.876 17.731 -20.821 147 H ALA 17 HN ALA 17 0.438 19.014 -14.273 148 HA ALA 17 HA ALA 17 -1.889 17.337 -14.550 149 HB1 ALA 17 HB1 ALA 17 -2.519 18.209 -12.336 150 HB2 ALA 17 HB2 ALA 17 -1.224 19.409 -12.434 151 HB3 ALA 17 HB3 ALA 17 -0.832 17.690 -12.362 152 H LEU 18 HN LEU 18 -1.145 20.751 -14.996 153 HA LEU 18 HA LEU 18 -3.826 21.670 -15.401 154 HB2 LEU 18 HB2 LEU 18 -1.244 22.867 -16.489 155 HB3 LEU 18 HB1 LEU 18 -2.808 23.664 -16.443 156 HG LEU 18 HG LEU 18 -1.012 22.992 -14.101 157 HD11 LEU 18 HD11 LEU 18 -2.000 25.665 -15.117 158 HD12 LEU 18 HD12 LEU 18 -0.375 25.005 -15.312 159 HD13 LEU 18 HD13 LEU 18 -0.973 25.402 -13.703 160 HD21 LEU 18 HD21 LEU 18 -2.713 23.954 -12.615 161 HD22 LEU 18 HD22 LEU 18 -3.275 22.484 -13.399 162 HD23 LEU 18 HD23 LEU 18 -3.844 24.058 -13.967 163 H GLU 19 HN GLU 19 -1.300 20.316 -17.460 164 HA GLU 19 HA GLU 19 -2.536 20.759 -19.980 165 HB2 GLU 19 HB2 GLU 19 -0.418 18.749 -19.108 166 HB3 GLU 19 HB1 GLU 19 -0.890 19.006 -20.787 167 HG2 GLU 19 HG2 GLU 19 -0.062 21.296 -20.722 168 HG3 GLU 19 HG1 GLU 19 0.268 21.162 -18.993 169 H ILE 20 HN ILE 20 -2.192 17.747 -18.084 170 HA ILE 20 HA ILE 20 -3.934 16.205 -19.715 171 HB ILE 20 HB ILE 20 -3.027 15.613 -16.862 172 HG12 ILE 20 HG12 ILE 20 -1.061 15.939 -18.316 173 HG13 ILE 20 HG11 ILE 20 -1.210 14.242 -17.886 174 HG21 ILE 20 HG21 ILE 20 -3.466 13.231 -17.414 175 HG22 ILE 20 HG22 ILE 20 -4.118 13.727 -18.977 176 HG23 ILE 20 HG23 ILE 20 -4.932 14.217 -17.491 177 HD11 ILE 20 HD11 ILE 20 -2.116 13.758 -20.101 178 HD12 ILE 20 HD12 ILE 20 -0.537 14.532 -20.190 179 HD13 ILE 20 HD13 ILE 20 -1.991 15.466 -20.532 180 H GLY 21 HN GLY 21 -4.358 17.643 -16.459 181 HA2 GLY 21 HA2 GLY 21 -7.053 16.902 -16.067 182 HA3 GLY 21 HA1 GLY 21 -6.216 18.205 -15.239 183 H GLY 22 HN GLY 22 -5.598 19.693 -17.692 184 HA2 GLY 22 HA2 GLY 22 -7.963 21.277 -17.936 185 HA3 GLY 22 HA1 GLY 22 -6.482 21.466 -18.860 186 H LYS 23 HN LYS 23 -6.334 19.007 -20.192 187 HA LYS 23 HA LYS 23 -8.269 19.450 -22.294 188 HB2 LYS 23 HB2 LYS 23 -7.062 17.734 -23.582 189 HB3 LYS 23 HB1 LYS 23 -5.984 18.956 -22.947 190 HG2 LYS 23 HG2 LYS 23 -4.741 17.040 -22.621 191 HG3 LYS 23 HG1 LYS 23 -5.512 17.232 -21.049 192 HD2 LYS 23 HD2 LYS 23 -7.174 15.508 -21.637 193 HD3 LYS 23 HD1 LYS 23 -6.466 15.354 -23.247 194 HE2 LYS 23 HE2 LYS 23 -5.055 14.723 -20.628 195 HE3 LYS 23 HE1 LYS 23 -5.729 13.535 -21.749 196 HZ1 LYS 23 HZ1 LYS 23 -3.608 15.476 -22.458 197 HZ2 LYS 23 HZ2 LYS 23 -4.175 14.204 -23.412 198 HZ3 LYS 23 HZ3 LYS 23 -3.320 13.881 -21.991 199 H MET 24 HN MET 24 -7.845 17.082 -19.740 200 HA MET 24 HA MET 24 -9.876 15.270 -20.580 201 HB2 MET 24 HB2 MET 24 -8.690 15.844 -17.851 202 HB3 MET 24 HB1 MET 24 -10.002 14.687 -18.049 203 HG2 MET 24 HG2 MET 24 -8.471 13.492 -19.726 204 HG3 MET 24 HG1 MET 24 -7.180 14.520 -19.101 205 HE1 MET 24 HE1 MET 24 -8.777 14.511 -15.962 206 HE2 MET 24 HE2 MET 24 -7.045 14.740 -16.212 207 HE3 MET 24 HE3 MET 24 -7.622 13.431 -15.181 208 H ALA 25 HN ALA 25 -9.881 18.079 -18.367 209 HA ALA 25 HA ALA 25 -12.574 18.218 -17.699 210 HB1 ALA 25 HB1 ALA 25 -10.877 19.659 -16.652 211 HB2 ALA 25 HB2 ALA 25 -12.209 20.626 -17.289 212 HB3 ALA 25 HB3 ALA 25 -10.679 20.549 -18.165 213 H LYS 26 HN LYS 26 -10.879 19.652 -20.446 214 HA LYS 26 HA LYS 26 -12.838 20.925 -21.865 215 HB2 LYS 26 HB2 LYS 26 -10.460 20.918 -22.474 216 HB3 LYS 26 HB1 LYS 26 -10.542 19.218 -22.906 217 HG2 LYS 26 HG2 LYS 26 -12.114 19.821 -24.770 218 HG3 LYS 26 HG1 LYS 26 -11.859 21.526 -24.377 219 HD2 LYS 26 HD2 LYS 26 -9.738 19.537 -25.299 220 HD3 LYS 26 HD1 LYS 26 -10.427 20.850 -26.256 221 HE2 LYS 26 HE2 LYS 26 -9.421 22.500 -24.711 222 HE3 LYS 26 HE1 LYS 26 -8.733 21.188 -23.749 223 HZ1 LYS 26 HZ1 LYS 26 -7.101 22.080 -25.254 224 HZ2 LYS 26 HZ2 LYS 26 -8.101 21.803 -26.585 225 HZ3 LYS 26 HZ3 LYS 26 -7.471 20.494 -25.712 226 H MET 27 HN MET 27 -11.878 17.521 -22.311 227 HA MET 27 HA MET 27 -13.889 16.782 -24.167 228 HB2 MET 27 HB2 MET 27 -12.141 15.087 -22.341 229 HB3 MET 27 HB1 MET 27 -13.150 14.420 -23.623 230 HG2 MET 27 HG2 MET 27 -11.851 15.730 -25.295 231 HG3 MET 27 HG1 MET 27 -10.809 16.310 -23.994 232 HE1 MET 27 HE1 MET 27 -8.922 13.048 -22.912 233 HE2 MET 27 HE2 MET 27 -10.357 13.742 -22.158 234 HE3 MET 27 HE3 MET 27 -9.052 14.797 -22.703 235 H GLN 28 HN GLN 28 -13.820 16.711 -20.652 236 HA GLN 28 HA GLN 28 -16.165 15.101 -20.265 237 HB2 GLN 28 HB2 GLN 28 -14.743 17.070 -18.422 238 HB3 GLN 28 HB1 GLN 28 -16.108 16.078 -17.911 239 HG2 GLN 28 HG2 GLN 28 -13.423 15.036 -18.862 240 HG3 GLN 28 HG1 GLN 28 -13.929 15.162 -17.182 241 HE21 GLN 28 HE21 GLN 28 -15.481 13.705 -16.382 242 HE22 GLN 28 HE22 GLN 28 -15.840 12.231 -17.210 243 H GLY 29 HN GLY 29 -15.511 18.481 -20.837 244 HA2 GLY 29 HA2 GLY 29 -17.252 19.613 -22.173 245 HA3 GLY 29 HA1 GLY 29 -18.422 19.079 -20.972 246 H PHE 30 HN PHE 30 -15.163 20.538 -20.746 247 HA PHE 30 HA PHE 30 -16.319 22.768 -19.129 248 HB2 PHE 30 HB2 PHE 30 -13.869 21.123 -18.350 249 HB3 PHE 30 HB1 PHE 30 -14.311 22.645 -17.596 250 HD1 PHE 30 HD1 PHE 30 -15.180 19.061 -17.892 251 HD2 PHE 30 HD2 PHE 30 -16.132 22.765 -15.980 252 HE1 PHE 30 HE1 PHE 30 -16.536 17.861 -16.223 253 HE2 PHE 30 HE2 PHE 30 -17.486 21.559 -14.320 254 HZ PHE 30 HZ PHE 30 -17.690 19.111 -14.438 255 H ASP 31 HN ASP 31 -15.068 24.663 -19.078 256 HA ASP 31 HA ASP 31 -12.631 24.804 -20.719 257 HB2 ASP 31 HB2 ASP 31 -13.369 26.988 -21.709 258 HB3 ASP 31 HB1 ASP 31 -14.356 25.636 -22.229 259 H LEU 32 HN LEU 32 -11.342 24.932 -18.964 260 HA LEU 32 HA LEU 32 -11.910 26.583 -16.673 261 HB2 LEU 32 HB2 LEU 32 -9.350 25.107 -17.413 262 HB3 LEU 32 HB1 LEU 32 -9.743 25.765 -15.829 263 HG LEU 32 HG LEU 32 -11.148 23.432 -17.207 264 HD11 LEU 32 HD11 LEU 32 -8.944 22.826 -16.349 265 HD12 LEU 32 HD12 LEU 32 -10.216 22.041 -15.421 266 HD13 LEU 32 HD13 LEU 32 -9.371 23.437 -14.747 267 HD21 LEU 32 HD21 LEU 32 -12.473 23.165 -15.149 268 HD22 LEU 32 HD22 LEU 32 -12.783 24.723 -15.907 269 HD23 LEU 32 HD23 LEU 32 -11.754 24.630 -14.475 270 HA PRO 33 HA PRO 33 -10.099 30.399 -18.227 271 HB2 PRO 33 HB2 PRO 33 -9.196 31.521 -15.843 272 HB3 PRO 33 HB1 PRO 33 -10.871 31.574 -16.404 273 HG2 PRO 33 HG2 PRO 33 -9.585 29.700 -14.429 274 HG3 PRO 33 HG1 PRO 33 -11.172 30.495 -14.348 275 HD2 PRO 33 HD2 PRO 33 -10.941 27.904 -15.070 276 HD3 PRO 33 HD1 PRO 33 -12.160 28.963 -15.815 277 H GLN 34 HN GLN 34 -8.365 29.976 -19.472 278 HA GLN 34 HA GLN 34 -5.996 28.622 -18.462 279 HB2 GLN 34 HB2 GLN 34 -6.700 29.560 -21.281 280 HB3 GLN 34 HB1 GLN 34 -5.311 28.562 -20.859 281 HG2 GLN 34 HG2 GLN 34 -8.202 27.739 -20.457 282 HG3 GLN 34 HG1 GLN 34 -7.217 27.299 -21.849 283 HE21 GLN 34 HE21 GLN 34 -5.543 25.784 -21.584 284 HE22 GLN 34 HE22 GLN 34 -5.467 24.737 -20.218 285 H SER 35 HN SER 35 -6.802 31.751 -19.908 286 HA SER 35 HA SER 35 -4.242 32.659 -20.482 287 HB2 SER 35 HB2 SER 35 -6.738 34.302 -19.949 288 HB3 SER 35 HB1 SER 35 -5.288 34.875 -20.782 289 HG SER 35 HG SER 35 -7.032 34.107 -22.166 290 HA PRO 36 HA PRO 36 -4.195 35.205 -16.260 291 HB2 PRO 36 HB2 PRO 36 -5.543 33.272 -14.405 292 HB3 PRO 36 HB1 PRO 36 -5.611 35.041 -14.420 293 HG2 PRO 36 HG2 PRO 36 -7.697 33.628 -15.287 294 HG3 PRO 36 HG1 PRO 36 -7.190 35.086 -16.167 295 HD2 PRO 36 HD2 PRO 36 -6.630 32.185 -16.827 296 HD3 PRO 36 HD1 PRO 36 -7.176 33.498 -17.901 297 H GLN 37 HN GLN 37 -4.300 31.671 -15.845 298 HA GLN 37 HA GLN 37 -2.606 30.149 -15.778 299 HB2 GLN 37 HB2 GLN 37 -0.715 32.281 -14.750 300 HB3 GLN 37 HB1 GLN 37 -0.295 30.574 -14.860 301 HG2 GLN 37 HG2 GLN 37 -0.646 30.653 -17.316 302 HG3 GLN 37 HG1 GLN 37 -1.058 32.363 -17.191 303 HE21 GLN 37 HE21 GLN 37 0.652 33.006 -18.545 304 HE22 GLN 37 HE22 GLN 37 2.306 32.934 -18.058 305 HA PRO 38 HA PRO 38 -2.035 29.861 -10.975 306 HB2 PRO 38 HB2 PRO 38 -2.971 31.779 -9.275 307 HB3 PRO 38 HB1 PRO 38 -1.375 31.880 -10.034 308 HG2 PRO 38 HG2 PRO 38 -3.960 33.195 -10.909 309 HG3 PRO 38 HG1 PRO 38 -2.357 33.937 -10.689 310 HD2 PRO 38 HD2 PRO 38 -3.231 33.189 -13.126 311 HD3 PRO 38 HD1 PRO 38 -1.520 33.021 -12.684 312 H VAL 39 HN VAL 39 -4.953 31.330 -12.186 313 HA VAL 39 HA VAL 39 -6.852 30.175 -10.405 314 HB VAL 39 HB VAL 39 -8.546 30.853 -12.081 315 HG11 VAL 39 HG11 VAL 39 -6.399 32.976 -11.700 316 HG12 VAL 39 HG12 VAL 39 -7.673 32.576 -10.547 317 HG13 VAL 39 HG13 VAL 39 -8.089 33.283 -12.110 318 HG21 VAL 39 HG21 VAL 39 -6.183 31.514 -13.878 319 HG22 VAL 39 HG22 VAL 39 -7.871 31.901 -14.221 320 HG23 VAL 39 HG23 VAL 39 -7.356 30.218 -14.133 321 H ARG 40 HN ARG 40 -5.213 29.027 -13.298 322 HA ARG 40 HA ARG 40 -6.932 26.945 -14.125 323 HB2 ARG 40 HB2 ARG 40 -3.883 26.953 -14.282 324 HB3 ARG 40 HB1 ARG 40 -4.961 25.896 -15.194 325 HG2 ARG 40 HG2 ARG 40 -5.883 27.992 -16.295 326 HG3 ARG 40 HG1 ARG 40 -4.565 28.880 -15.521 327 HD2 ARG 40 HD2 ARG 40 -3.963 28.251 -17.822 328 HD3 ARG 40 HD1 ARG 40 -2.918 27.416 -16.659 329 HE ARG 40 HE ARG 40 -5.302 25.983 -17.522 330 HH11 ARG 40 HH11 ARG 40 -1.878 26.436 -18.139 331 HH12 ARG 40 HH12 ARG 40 -1.694 24.878 -18.876 332 HH21 ARG 40 HH21 ARG 40 -5.044 23.963 -18.448 333 HH22 ARG 40 HH22 ARG 40 -3.498 23.466 -19.055 334 H VAL 41 HN VAL 41 -4.333 27.096 -11.782 335 HA VAL 41 HA VAL 41 -3.927 24.389 -11.260 336 HB VAL 41 HB VAL 41 -3.486 26.793 -9.421 337 HG11 VAL 41 HG11 VAL 41 -2.174 24.060 -9.277 338 HG12 VAL 41 HG12 VAL 41 -3.386 24.678 -8.159 339 HG13 VAL 41 HG13 VAL 41 -1.804 25.445 -8.249 340 HG21 VAL 41 HG21 VAL 41 -1.572 25.475 -11.392 341 HG22 VAL 41 HG22 VAL 41 -1.164 26.805 -10.301 342 HG23 VAL 41 HG23 VAL 41 -2.345 27.052 -11.590 343 H LYS 42 HN LYS 42 -5.944 26.748 -9.504 344 HA LYS 42 HA LYS 42 -7.060 24.883 -7.651 345 HB2 LYS 42 HB2 LYS 42 -6.810 27.475 -7.453 346 HB3 LYS 42 HB1 LYS 42 -8.300 27.566 -8.373 347 HG2 LYS 42 HG2 LYS 42 -8.083 26.046 -5.753 348 HG3 LYS 42 HG1 LYS 42 -8.465 27.766 -5.811 349 HD2 LYS 42 HD2 LYS 42 -10.109 25.517 -7.045 350 HD3 LYS 42 HD1 LYS 42 -10.503 26.401 -5.570 351 HE2 LYS 42 HE2 LYS 42 -10.287 27.674 -8.330 352 HE3 LYS 42 HE1 LYS 42 -11.796 27.156 -7.582 353 HZ1 LYS 42 HZ1 LYS 42 -11.443 28.722 -5.809 354 HZ2 LYS 42 HZ2 LYS 42 -11.392 29.523 -7.301 355 HZ3 LYS 42 HZ3 LYS 42 -9.960 29.199 -6.466 356 H ALA 43 HN ALA 43 -8.054 26.088 -10.817 357 HA ALA 43 HA ALA 43 -10.724 25.123 -10.858 358 HB1 ALA 43 HB1 ALA 43 -8.860 25.660 -13.198 359 HB2 ALA 43 HB2 ALA 43 -9.897 26.851 -12.408 360 HB3 ALA 43 HB3 ALA 43 -10.619 25.502 -13.288 361 H VAL 44 HN VAL 44 -7.683 23.693 -11.983 362 HA VAL 44 HA VAL 44 -8.725 21.288 -13.067 363 HB VAL 44 HB VAL 44 -5.900 21.956 -12.105 364 HG11 VAL 44 HG11 VAL 44 -5.128 19.944 -13.332 365 HG12 VAL 44 HG12 VAL 44 -6.802 19.500 -13.667 366 HG13 VAL 44 HG13 VAL 44 -6.208 19.510 -12.005 367 HG21 VAL 44 HG21 VAL 44 -7.042 21.779 -14.923 368 HG22 VAL 44 HG22 VAL 44 -5.364 22.149 -14.507 369 HG23 VAL 44 HG23 VAL 44 -6.651 23.268 -14.060 370 H TYR 45 HN TYR 45 -7.378 22.185 -9.899 371 HA TYR 45 HA TYR 45 -7.538 19.784 -8.520 372 HB2 TYR 45 HB2 TYR 45 -6.527 21.569 -7.367 373 HB3 TYR 45 HB1 TYR 45 -7.857 22.671 -7.682 374 HD1 TYR 45 HD1 TYR 45 -6.794 19.772 -5.570 375 HD2 TYR 45 HD2 TYR 45 -9.690 22.869 -6.146 376 HE1 TYR 45 HE1 TYR 45 -7.753 19.306 -3.350 377 HE2 TYR 45 HE2 TYR 45 -10.632 22.403 -3.937 378 HH TYR 45 HH TYR 45 -10.761 20.583 -2.369 379 H LEU 46 HN LEU 46 -10.126 22.257 -8.843 380 HA LEU 46 HA LEU 46 -12.144 20.959 -7.383 381 HB2 LEU 46 HB2 LEU 46 -12.383 22.886 -9.723 382 HB3 LEU 46 HB1 LEU 46 -13.763 22.349 -8.774 383 HG LEU 46 HG LEU 46 -11.432 24.035 -7.779 384 HD11 LEU 46 HD11 LEU 46 -13.138 25.783 -7.486 385 HD12 LEU 46 HD12 LEU 46 -14.364 24.715 -8.173 386 HD13 LEU 46 HD13 LEU 46 -13.016 25.269 -9.169 387 HD21 LEU 46 HD21 LEU 46 -12.118 22.536 -5.976 388 HD22 LEU 46 HD22 LEU 46 -13.812 22.976 -6.209 389 HD23 LEU 46 HD23 LEU 46 -12.659 24.179 -5.629 390 H PHE 47 HN PHE 47 -11.379 20.877 -10.829 391 HA PHE 47 HA PHE 47 -13.375 19.159 -11.755 392 HB2 PHE 47 HB2 PHE 47 -12.176 20.312 -13.435 393 HB3 PHE 47 HB1 PHE 47 -10.611 19.903 -12.744 394 HD1 PHE 47 HD2 PHE 47 -13.583 18.221 -14.341 395 HD2 PHE 47 HD1 PHE 47 -9.342 18.238 -13.797 396 HE1 PHE 47 HE2 PHE 47 -13.372 16.301 -15.861 397 HE2 PHE 47 HE1 PHE 47 -9.142 16.322 -15.310 398 HZ PHE 47 HZ PHE 47 -11.156 15.345 -16.346 399 H LEU 48 HN LEU 48 -10.109 18.365 -10.509 400 HA LEU 48 HA LEU 48 -10.245 15.575 -11.040 401 HB2 LEU 48 HB2 LEU 48 -8.431 17.137 -9.182 402 HB3 LEU 48 HB1 LEU 48 -8.234 15.423 -9.522 403 HG LEU 48 HG LEU 48 -7.955 17.694 -11.531 404 HD11 LEU 48 HD11 LEU 48 -5.590 17.087 -11.582 405 HD12 LEU 48 HD12 LEU 48 -5.862 15.850 -10.351 406 HD13 LEU 48 HD13 LEU 48 -6.094 17.556 -9.960 407 HD21 LEU 48 HD21 LEU 48 -7.227 15.999 -13.150 408 HD22 LEU 48 HD22 LEU 48 -8.890 15.719 -12.644 409 HD23 LEU 48 HD23 LEU 48 -7.591 14.714 -11.995 410 H VAL 49 HN VAL 49 -10.893 17.487 -8.105 411 HA VAL 49 HA VAL 49 -11.397 15.315 -6.345 412 HB VAL 49 HB VAL 49 -12.443 18.185 -6.222 413 HG11 VAL 49 HG11 VAL 49 -12.474 16.061 -4.040 414 HG12 VAL 49 HG12 VAL 49 -13.889 16.712 -4.874 415 HG13 VAL 49 HG13 VAL 49 -12.928 17.755 -3.825 416 HG21 VAL 49 HG21 VAL 49 -10.652 18.542 -4.550 417 HG22 VAL 49 HG22 VAL 49 -9.981 18.034 -6.102 418 HG23 VAL 49 HG23 VAL 49 -10.108 16.877 -4.775 419 H ASP 50 HN ASP 50 -13.437 17.239 -8.479 420 HA ASP 50 HA ASP 50 -15.972 16.137 -7.836 421 HB2 ASP 50 HB2 ASP 50 -15.593 18.311 -9.041 422 HB3 ASP 50 HB1 ASP 50 -15.035 17.420 -10.448 423 H ALA 51 HN ALA 51 -13.480 15.313 -10.172 424 HA ALA 51 HA ALA 51 -14.959 13.183 -11.466 425 HB1 ALA 51 HB1 ALA 51 -13.430 14.660 -12.749 426 HB2 ALA 51 HB2 ALA 51 -12.960 12.963 -12.878 427 HB3 ALA 51 HB3 ALA 51 -12.064 14.051 -11.811 428 H LYS 52 HN LYS 52 -13.410 13.411 -8.544 429 HA LYS 52 HA LYS 52 -12.808 11.953 -6.938 430 HB2 LYS 52 HB2 LYS 52 -14.013 9.864 -8.794 431 HB3 LYS 52 HB1 LYS 52 -13.544 9.550 -7.123 432 HG2 LYS 52 HG2 LYS 52 -15.672 11.524 -8.038 433 HG3 LYS 52 HG1 LYS 52 -15.968 9.933 -7.323 434 HD2 LYS 52 HD2 LYS 52 -14.910 10.669 -5.217 435 HD3 LYS 52 HD1 LYS 52 -14.541 12.239 -5.933 436 HE2 LYS 52 HE2 LYS 52 -16.944 12.720 -6.137 437 HE3 LYS 52 HE1 LYS 52 -17.329 11.142 -5.440 438 HZ1 LYS 52 HZ1 LYS 52 -15.856 13.344 -4.087 439 HZ2 LYS 52 HZ2 LYS 52 -16.171 11.823 -3.414 440 HZ3 LYS 52 HZ3 LYS 52 -17.447 12.865 -3.779 441 H GLN 53 HN GLN 53 -11.024 12.544 -9.265 442 HA GLN 53 HA GLN 53 -9.086 10.465 -9.470 443 HB2 GLN 53 HB2 GLN 53 -8.785 13.472 -9.908 444 HB3 GLN 53 HB1 GLN 53 -7.657 12.240 -10.463 445 HG2 GLN 53 HG2 GLN 53 -10.530 12.540 -11.396 446 HG3 GLN 53 HG1 GLN 53 -9.108 13.098 -12.278 447 HE21 GLN 53 HE21 GLN 53 -11.201 11.128 -13.010 448 HE22 GLN 53 HE22 GLN 53 -10.351 9.676 -13.403 449 H ILE 54 HN ILE 54 -9.375 13.416 -7.487 450 HA ILE 54 HA ILE 54 -7.529 12.263 -5.482 451 HB ILE 54 HB ILE 54 -6.698 14.547 -4.907 452 HG12 ILE 54 HG12 ILE 54 -8.130 15.447 -7.450 453 HG13 ILE 54 HG11 ILE 54 -8.587 15.887 -5.811 454 HG21 ILE 54 HG21 ILE 54 -5.346 13.096 -6.335 455 HG22 ILE 54 HG22 ILE 54 -5.123 14.790 -6.776 456 HG23 ILE 54 HG23 ILE 54 -6.138 13.745 -7.773 457 HD11 ILE 54 HD11 ILE 54 -6.470 17.110 -5.561 458 HD12 ILE 54 HD12 ILE 54 -7.435 17.707 -6.911 459 HD13 ILE 54 HD13 ILE 54 -6.036 16.679 -7.219 460 H ALA 55 HN ALA 55 -7.786 13.420 -3.340 461 HA ALA 55 HA ALA 55 -10.624 13.574 -2.618 462 HB1 ALA 55 HB1 ALA 55 -8.141 13.268 -0.875 463 HB2 ALA 55 HB2 ALA 55 -9.205 11.963 -1.399 464 HB3 ALA 55 HB3 ALA 55 -9.816 13.203 -0.305 465 HA PRO 56 HA PRO 56 -10.430 18.020 -2.097 466 HB2 PRO 56 HB2 PRO 56 -12.412 18.468 -0.254 467 HB3 PRO 56 HB1 PRO 56 -12.732 17.977 -1.921 468 HG2 PRO 56 HG2 PRO 56 -12.632 16.268 0.559 469 HG3 PRO 56 HG1 PRO 56 -13.839 16.274 -0.745 470 HD2 PRO 56 HD2 PRO 56 -11.845 14.433 -0.639 471 HD3 PRO 56 HD1 PRO 56 -12.479 15.040 -2.185 472 H LEU 57 HN LEU 57 -8.966 19.214 -1.119 473 HA LEU 57 HA LEU 57 -7.823 18.874 1.445 474 HB2 LEU 57 HB2 LEU 57 -7.952 21.250 -0.453 475 HB3 LEU 57 HB1 LEU 57 -6.992 21.259 1.021 476 HG LEU 57 HG LEU 57 -6.558 19.198 -1.178 477 HD11 LEU 57 HD11 LEU 57 -6.230 21.392 -2.185 478 HD12 LEU 57 HD12 LEU 57 -4.683 20.571 -1.990 479 HD13 LEU 57 HD13 LEU 57 -5.143 21.863 -0.877 480 HD21 LEU 57 HD21 LEU 57 -4.746 20.133 1.085 481 HD22 LEU 57 HD22 LEU 57 -4.360 18.898 -0.118 482 HD23 LEU 57 HD23 LEU 57 -5.648 18.614 1.048 483 HA PRO 58 HA PRO 58 -11.057 20.883 3.950 484 HB2 PRO 58 HB2 PRO 58 -9.635 21.339 6.242 485 HB3 PRO 58 HB1 PRO 58 -10.188 19.727 5.766 486 HG2 PRO 58 HG2 PRO 58 -7.469 20.987 5.378 487 HG3 PRO 58 HG1 PRO 58 -7.872 19.369 5.997 488 HD2 PRO 58 HD2 PRO 58 -7.114 19.756 3.424 489 HD3 PRO 58 HD1 PRO 58 -8.312 18.518 3.864 490 H ASP 59 HN ASP 59 -11.146 22.947 5.435 491 HA ASP 59 HA ASP 59 -10.888 25.125 3.648 492 HB2 ASP 59 HB2 ASP 59 -11.578 25.145 6.619 493 HB3 ASP 59 HB1 ASP 59 -11.829 26.494 5.515 494 H SER 60 HN SER 60 -8.802 23.985 6.210 495 HA SER 60 HA SER 60 -7.217 26.407 6.443 496 HB2 SER 60 HB2 SER 60 -6.627 23.573 7.432 497 HB3 SER 60 HB1 SER 60 -5.757 25.031 7.905 498 HG SER 60 HG SER 60 -7.937 25.804 8.581 499 H LYS 61 HN LYS 61 -7.167 23.490 4.502 500 HA LYS 61 HA LYS 61 -4.463 24.068 3.450 501 HB2 LYS 61 HB2 LYS 61 -6.130 21.517 3.249 502 HB3 LYS 61 HB1 LYS 61 -4.498 21.725 2.610 503 HG2 LYS 61 HG2 LYS 61 -5.316 21.817 5.531 504 HG3 LYS 61 HG1 LYS 61 -4.456 20.498 4.726 505 HD2 LYS 61 HD2 LYS 61 -2.521 21.988 4.333 506 HD3 LYS 61 HD1 LYS 61 -3.388 23.335 5.079 507 HE2 LYS 61 HE2 LYS 61 -1.819 22.415 6.672 508 HE3 LYS 61 HE1 LYS 61 -3.461 22.058 7.211 509 HZ1 LYS 61 HZ1 LYS 61 -3.222 19.826 6.299 510 HZ2 LYS 61 HZ2 LYS 61 -2.029 20.137 7.458 511 HZ3 LYS 61 HZ3 LYS 61 -1.640 20.170 5.811 512 H LEU 62 HN LEU 62 -7.414 25.037 2.689 513 HA LEU 62 HA LEU 62 -7.278 24.518 -0.205 514 HB2 LEU 62 HB2 LEU 62 -9.468 24.794 1.396 515 HB3 LEU 62 HB1 LEU 62 -9.288 26.467 0.920 516 HG LEU 62 HG LEU 62 -10.913 25.318 -0.510 517 HD11 LEU 62 HD11 LEU 62 -9.668 27.125 -1.560 518 HD12 LEU 62 HD12 LEU 62 -10.057 25.868 -2.732 519 HD13 LEU 62 HD13 LEU 62 -8.419 25.992 -2.083 520 HD21 LEU 62 HD21 LEU 62 -10.035 23.040 -0.299 521 HD22 LEU 62 HD22 LEU 62 -8.665 23.461 -1.332 522 HD23 LEU 62 HD23 LEU 62 -10.306 23.478 -1.985 523 H ASP 63 HN ASP 63 -5.217 25.432 -0.330 524 HA ASP 63 HA ASP 63 -5.145 28.316 -0.870 525 HB2 ASP 63 HB2 ASP 63 -4.279 28.106 1.441 526 HB3 ASP 63 HB1 ASP 63 -3.149 26.863 0.938 527 H GLY 64 HN GLY 64 -3.603 28.824 -2.472 528 HA2 GLY 64 HA2 GLY 64 -3.462 27.165 -4.642 529 HA3 GLY 64 HA1 GLY 64 -2.378 28.520 -4.384 530 H ALA 65 HN ALA 65 -1.027 27.418 -2.084 531 HA ALA 65 HA ALA 65 1.089 25.987 -3.313 532 HB1 ALA 65 HB1 ALA 65 0.422 26.315 -0.362 533 HB2 ALA 65 HB2 ALA 65 1.387 27.419 -1.340 534 HB3 ALA 65 HB3 ALA 65 1.986 25.793 -1.011 535 H ASN 66 HN ASN 66 -1.448 24.912 -1.031 536 HA ASN 66 HA ASN 66 -0.721 22.160 -0.893 537 HB2 ASN 66 HB2 ASN 66 -3.430 23.448 -0.346 538 HB3 ASN 66 HB1 ASN 66 -2.948 21.839 0.166 539 HD21 ASN 66 HD21 ASN 66 -2.566 25.248 0.709 540 HD22 ASN 66 HD22 ASN 66 -1.803 25.130 2.252 541 H ILE 67 HN ILE 67 -2.993 23.982 -2.866 542 HA ILE 67 HA ILE 67 -4.357 21.972 -4.232 543 HB ILE 67 HB ILE 67 -3.483 24.709 -5.287 544 HG12 ILE 67 HG12 ILE 67 -4.848 24.881 -3.195 545 HG13 ILE 67 HG11 ILE 67 -5.681 25.570 -4.579 546 HG21 ILE 67 HG21 ILE 67 -5.346 24.519 -6.889 547 HG22 ILE 67 HG22 ILE 67 -5.668 22.884 -6.314 548 HG23 ILE 67 HG23 ILE 67 -4.145 23.246 -7.121 549 HD11 ILE 67 HD11 ILE 67 -7.077 23.581 -4.728 550 HD12 ILE 67 HD12 ILE 67 -7.185 24.344 -3.140 551 HD13 ILE 67 HD13 ILE 67 -6.230 22.876 -3.349 552 H LYS 68 HN LYS 68 -1.351 23.678 -5.126 553 HA LYS 68 HA LYS 68 -0.684 22.393 -7.515 554 HB2 LYS 68 HB2 LYS 68 1.096 23.602 -5.363 555 HB3 LYS 68 HB1 LYS 68 1.712 23.064 -6.922 556 HG2 LYS 68 HG2 LYS 68 0.331 24.718 -8.075 557 HG3 LYS 68 HG1 LYS 68 -0.383 25.219 -6.541 558 HD2 LYS 68 HD2 LYS 68 1.903 25.895 -5.762 559 HD3 LYS 68 HD1 LYS 68 2.525 25.510 -7.370 560 HE2 LYS 68 HE2 LYS 68 1.042 27.239 -8.339 561 HE3 LYS 68 HE1 LYS 68 0.433 27.620 -6.725 562 HZ1 LYS 68 HZ1 LYS 68 2.661 28.271 -6.082 563 HZ2 LYS 68 HZ2 LYS 68 2.156 29.163 -7.425 564 HZ3 LYS 68 HZ3 LYS 68 3.250 27.891 -7.618 565 H HIS 69 HN HIS 69 -0.039 21.474 -4.181 566 HA HIS 69 HA HIS 69 1.838 19.405 -4.697 567 HB2 HIS 69 HB2 HIS 69 1.519 20.683 -2.516 568 HB3 HIS 69 HB1 HIS 69 0.084 19.704 -2.224 569 HD1 HIS 69 HD1 HIS 69 3.826 19.414 -2.558 570 HD2 HIS 69 HD2 HIS 69 0.623 17.204 -1.131 571 HE1 HIS 69 HE1 HIS 69 4.848 17.470 -1.357 572 HE2 HIS 69 HE2 HIS 69 2.894 16.324 -0.271 573 H ARG 70 HN ARG 70 -1.685 19.422 -4.220 574 HA ARG 70 HA ARG 70 -2.084 16.596 -4.310 575 HB2 ARG 70 HB2 ARG 70 -3.945 18.957 -4.742 576 HB3 ARG 70 HB1 ARG 70 -4.511 17.295 -4.913 577 HG2 ARG 70 HG2 ARG 70 -3.266 18.455 -2.400 578 HG3 ARG 70 HG1 ARG 70 -4.999 18.269 -2.689 579 HD2 ARG 70 HD2 ARG 70 -4.750 15.832 -2.819 580 HD3 ARG 70 HD1 ARG 70 -2.999 15.978 -2.643 581 HE ARG 70 HE ARG 70 -3.397 16.873 -0.384 582 HH11 ARG 70 HH11 ARG 70 -6.025 15.014 -1.823 583 HH12 ARG 70 HH12 ARG 70 -6.686 14.546 -0.290 584 HH21 ARG 70 HH21 ARG 70 -4.275 16.223 1.613 585 HH22 ARG 70 HH22 ARG 70 -5.708 15.239 1.645 586 H LEU 71 HN LEU 71 -2.188 19.133 -6.786 587 HA LEU 71 HA LEU 71 -2.906 17.551 -9.011 588 HB2 LEU 71 HB2 LEU 71 -1.133 20.024 -8.951 589 HB3 LEU 71 HB1 LEU 71 -1.862 19.337 -10.391 590 HG LEU 71 HG LEU 71 -3.249 20.782 -8.118 591 HD11 LEU 71 HD11 LEU 71 -3.993 22.306 -9.866 592 HD12 LEU 71 HD12 LEU 71 -3.153 21.352 -11.092 593 HD13 LEU 71 HD13 LEU 71 -2.234 22.191 -9.838 594 HD21 LEU 71 HD21 LEU 71 -4.598 19.238 -10.354 595 HD22 LEU 71 HD22 LEU 71 -5.402 20.350 -9.243 596 HD23 LEU 71 HD23 LEU 71 -4.665 18.875 -8.627 597 H ALA 72 HN ALA 72 0.205 18.297 -7.535 598 HA ALA 72 HA ALA 72 1.940 17.240 -9.487 599 HB1 ALA 72 HB1 ALA 72 3.668 17.366 -7.738 600 HB2 ALA 72 HB2 ALA 72 2.418 17.598 -6.511 601 HB3 ALA 72 HB3 ALA 72 2.672 18.824 -7.754 602 H LEU 73 HN LEU 73 0.766 15.789 -6.412 603 HA LEU 73 HA LEU 73 2.019 13.260 -6.839 604 HB2 LEU 73 HB2 LEU 73 -0.041 14.235 -4.880 605 HB3 LEU 73 HB1 LEU 73 0.198 12.507 -5.064 606 HG LEU 73 HG LEU 73 2.725 13.020 -4.647 607 HD11 LEU 73 HD11 LEU 73 2.636 15.448 -4.825 608 HD12 LEU 73 HD12 LEU 73 3.223 14.942 -3.243 609 HD13 LEU 73 HD13 LEU 73 1.568 15.530 -3.421 610 HD21 LEU 73 HD21 LEU 73 1.338 11.728 -3.139 611 HD22 LEU 73 HD22 LEU 73 0.727 13.205 -2.384 612 HD23 LEU 73 HD23 LEU 73 2.432 12.775 -2.234 613 H TRP 74 HN TRP 74 -1.182 14.522 -7.665 614 HA TRP 74 HA TRP 74 -2.461 12.149 -8.433 615 HB2 TRP 74 HB2 TRP 74 -3.790 14.175 -8.338 616 HB3 TRP 74 HB1 TRP 74 -2.773 14.980 -9.530 617 HD1 TRP 74 HD1 TRP 74 -5.239 11.967 -9.360 618 HE1 TRP 74 HE1 TRP 74 -6.292 11.657 -11.682 619 HE3 TRP 74 HE3 TRP 74 -2.710 15.614 -11.898 620 HZ2 TRP 74 HZ2 TRP 74 -6.083 12.790 -14.235 621 HZ3 TRP 74 HZ3 TRP 74 -3.196 15.939 -14.289 622 HH2 TRP 74 HH2 TRP 74 -4.853 14.554 -15.431 623 H ILE 75 HN ILE 75 -0.608 14.449 -10.442 624 HA ILE 75 HA ILE 75 -0.803 12.869 -12.810 625 HB ILE 75 HB ILE 75 -0.579 15.373 -12.838 626 HG12 ILE 75 HG12 ILE 75 0.926 15.483 -14.830 627 HG13 ILE 75 HG11 ILE 75 1.552 13.884 -14.444 628 HG21 ILE 75 HG21 ILE 75 1.651 16.402 -12.610 629 HG22 ILE 75 HG22 ILE 75 2.319 14.848 -12.114 630 HG23 ILE 75 HG23 ILE 75 1.116 15.653 -11.104 631 HD11 ILE 75 HD11 ILE 75 -0.071 13.845 -16.262 632 HD12 ILE 75 HD12 ILE 75 -1.303 14.509 -15.191 633 HD13 ILE 75 HD13 ILE 75 -0.631 12.907 -14.879 634 H HIS 76 HN HIS 76 1.481 13.029 -10.161 635 HA HIS 76 HA HIS 76 3.602 11.620 -11.480 636 HB2 HIS 76 HB2 HIS 76 3.631 13.077 -9.244 637 HB3 HIS 76 HB1 HIS 76 3.299 11.535 -8.461 638 HD1 HIS 76 HD1 HIS 76 5.708 11.838 -7.356 639 HD2 HIS 76 HD2 HIS 76 5.705 11.324 -11.475 640 HE1 HIS 76 HE1 HIS 76 8.104 11.439 -7.994 641 HE2 HIS 76 HE2 HIS 76 8.094 11.271 -10.496 642 H ALA 77 HN ALA 77 0.732 10.679 -9.699 643 HA ALA 77 HA ALA 77 1.267 7.830 -9.790 644 HB1 ALA 77 HB1 ALA 77 -0.146 8.819 -8.032 645 HB2 ALA 77 HB2 ALA 77 -1.042 7.619 -8.965 646 HB3 ALA 77 HB3 ALA 77 -1.311 9.342 -9.249 647 H ALA 78 HN ALA 78 -0.370 10.219 -11.788 648 HA ALA 78 HA ALA 78 -1.740 8.412 -13.545 649 HB1 ALA 78 HB1 ALA 78 -2.194 10.398 -14.919 650 HB2 ALA 78 HB2 ALA 78 -1.045 11.342 -13.966 651 HB3 ALA 78 HB3 ALA 78 -2.518 10.728 -13.217 652 H LEU 79 HN LEU 79 1.448 9.854 -13.480 653 HA LEU 79 HA LEU 79 2.283 8.530 -15.962 654 HB2 LEU 79 HB2 LEU 79 3.918 10.139 -13.961 655 HB3 LEU 79 HB1 LEU 79 4.495 9.554 -15.510 656 HG LEU 79 HG LEU 79 2.343 11.680 -15.117 657 HD11 LEU 79 HD11 LEU 79 5.229 11.994 -16.029 658 HD12 LEU 79 HD12 LEU 79 4.549 12.534 -14.493 659 HD13 LEU 79 HD13 LEU 79 4.014 13.277 -15.996 660 HD21 LEU 79 HD21 LEU 79 3.594 10.659 -17.695 661 HD22 LEU 79 HD22 LEU 79 2.481 12.024 -17.559 662 HD23 LEU 79 HD23 LEU 79 1.929 10.400 -17.163 663 HA PRO 80 HA PRO 80 2.815 5.087 -12.970 664 HB2 PRO 80 HB2 PRO 80 3.168 3.289 -15.271 665 HB3 PRO 80 HB1 PRO 80 1.851 3.340 -14.099 666 HG2 PRO 80 HG2 PRO 80 1.553 4.083 -16.721 667 HG3 PRO 80 HG1 PRO 80 0.569 4.743 -15.401 668 HD2 PRO 80 HD2 PRO 80 2.942 5.979 -16.793 669 HD3 PRO 80 HD1 PRO 80 1.426 6.736 -16.257 670 H ASP 81 HN ASP 81 4.940 6.125 -15.477 671 HA ASP 81 HA ASP 81 7.258 4.594 -14.845 672 HB2 ASP 81 HB2 ASP 81 7.018 7.327 -16.182 673 HB3 ASP 81 HB1 ASP 81 8.479 6.347 -16.152 674 H ASN 82 HN ASN 82 5.701 7.253 -13.314 675 HA ASN 82 HA ASN 82 6.121 8.643 -11.601 676 HB2 ASN 82 HB2 ASN 82 8.197 6.533 -10.870 677 HB3 ASN 82 HB1 ASN 82 7.730 7.851 -9.806 678 HD21 ASN 82 HD21 ASN 82 7.525 5.011 -9.341 679 HD22 ASN 82 HD22 ASN 82 5.860 4.688 -9.029 680 H ASP 83 HN ASP 83 7.047 9.598 -13.838 681 HA ASP 83 HA ASP 83 9.780 10.072 -14.235 682 HB2 ASP 83 HB2 ASP 83 7.415 11.788 -15.125 683 HB3 ASP 83 HB1 ASP 83 9.034 11.848 -15.819 684 HA PRO 84 HA PRO 84 10.597 13.510 -11.343 685 HB2 PRO 84 HB2 PRO 84 12.901 14.494 -12.416 686 HB3 PRO 84 HB1 PRO 84 12.852 12.930 -11.585 687 HG2 PRO 84 HG2 PRO 84 12.734 13.491 -14.556 688 HG3 PRO 84 HG1 PRO 84 13.740 12.310 -13.686 689 HD2 PRO 84 HD2 PRO 84 11.422 11.596 -14.909 690 HD3 PRO 84 HD1 PRO 84 11.976 10.805 -13.422 691 H LEU 85 HN LEU 85 10.136 13.885 -14.784 692 HA LEU 85 HA LEU 85 9.789 15.581 -16.240 693 HB2 LEU 85 HB2 LEU 85 8.335 16.836 -13.881 694 HB3 LEU 85 HB1 LEU 85 8.245 17.414 -15.532 695 HG LEU 85 HG LEU 85 7.338 15.015 -16.077 696 HD11 LEU 85 HD11 LEU 85 7.772 13.943 -13.970 697 HD12 LEU 85 HD12 LEU 85 6.027 14.012 -14.214 698 HD13 LEU 85 HD13 LEU 85 6.814 15.144 -13.111 699 HD21 LEU 85 HD21 LEU 85 5.035 15.765 -15.663 700 HD22 LEU 85 HD22 LEU 85 6.028 17.067 -16.312 701 HD23 LEU 85 HD23 LEU 85 5.632 17.037 -14.591 702 H LYS 86 HN LYS 86 12.301 15.603 -15.154 703 HA LYS 86 HA LYS 86 13.060 18.004 -13.838 704 HB2 LYS 86 HB2 LYS 86 14.356 15.883 -13.648 705 HB3 LYS 86 HB1 LYS 86 14.815 16.012 -15.341 706 HG2 LYS 86 HG2 LYS 86 16.648 16.742 -13.892 707 HG3 LYS 86 HG1 LYS 86 16.060 18.080 -14.883 708 HD2 LYS 86 HD2 LYS 86 14.738 18.907 -12.926 709 HD3 LYS 86 HD1 LYS 86 15.400 17.595 -11.946 710 HE2 LYS 86 HE2 LYS 86 17.668 18.514 -12.246 711 HE3 LYS 86 HE1 LYS 86 17.020 19.803 -13.265 712 HZ1 LYS 86 HZ1 LYS 86 17.373 20.596 -11.043 713 HZ2 LYS 86 HZ2 LYS 86 16.421 19.363 -10.389 714 HZ3 LYS 86 HZ3 LYS 86 15.709 20.559 -11.351 Start of MODEL 9 1 H MET 1 HT1 MET 1 -0.137 0.870 -8.968 2 HA MET 1 HA MET 1 1.134 2.283 -10.384 3 HB2 MET 1 HB2 MET 1 -0.941 4.381 -9.624 4 HB3 MET 1 HB1 MET 1 0.558 4.728 -10.480 5 HG2 MET 1 HG2 MET 1 -1.679 2.969 -11.527 6 HG3 MET 1 HG1 MET 1 -1.378 4.646 -11.987 7 HE1 MET 1 HE1 MET 1 -0.282 2.702 -15.225 8 HE2 MET 1 HE2 MET 1 -1.278 4.013 -14.591 9 HE3 MET 1 HE3 MET 1 -1.645 2.339 -14.168 10 H SER 2 HN SER 2 2.765 3.719 -9.525 11 HA SER 2 HA SER 2 3.251 3.277 -6.713 12 HB2 SER 2 HB2 SER 2 4.978 4.662 -8.808 13 HB3 SER 2 HB1 SER 2 5.504 4.161 -7.200 14 HG SER 2 HG SER 2 4.605 2.446 -9.291 15 H LYS 3 HN LYS 3 3.989 4.968 -5.299 16 HA LYS 3 HA LYS 3 3.303 7.741 -5.780 17 HB2 LYS 3 HB2 LYS 3 1.104 6.685 -5.202 18 HB3 LYS 3 HB1 LYS 3 1.786 6.099 -3.692 19 HG2 LYS 3 HG2 LYS 3 2.053 8.407 -2.889 20 HG3 LYS 3 HG1 LYS 3 1.449 9.034 -4.426 21 HD2 LYS 3 HD2 LYS 3 -0.142 7.312 -2.474 22 HD3 LYS 3 HD1 LYS 3 -0.291 9.064 -2.646 23 HE2 LYS 3 HE2 LYS 3 -1.098 8.814 -4.931 24 HE3 LYS 3 HE1 LYS 3 -0.838 7.069 -4.872 25 HZ1 LYS 3 HZ1 LYS 3 -3.156 7.756 -4.530 26 HZ2 LYS 3 HZ2 LYS 3 -2.706 8.524 -3.092 27 HZ3 LYS 3 HZ3 LYS 3 -2.532 6.850 -3.249 28 H THR 4 HN THR 4 4.033 9.094 -3.976 29 HA THR 4 HA THR 4 5.668 9.836 -2.606 30 HB THR 4 HB THR 4 5.602 7.083 -1.285 31 HG1 THR 4 HG1 THR 4 3.938 9.329 -0.720 32 HG21 THR 4 HG21 THR 4 6.252 9.824 -0.114 33 HG22 THR 4 HG22 THR 4 7.430 8.559 -0.472 34 HG23 THR 4 HG23 THR 4 6.213 8.296 0.775 35 H ALA 5 HN ALA 5 6.981 9.860 -4.548 36 HA ALA 5 HA ALA 5 9.387 8.206 -4.460 37 HB1 ALA 5 HB1 ALA 5 7.546 8.138 -6.896 38 HB2 ALA 5 HB2 ALA 5 7.834 6.806 -5.777 39 HB3 ALA 5 HB3 ALA 5 9.149 7.400 -6.788 40 H LYS 6 HN LYS 6 10.456 8.845 -6.928 41 HA LYS 6 HA LYS 6 11.824 11.170 -6.515 42 HB2 LYS 6 HB2 LYS 6 11.176 9.904 -9.203 43 HB3 LYS 6 HB1 LYS 6 12.506 11.023 -8.907 44 HG2 LYS 6 HG2 LYS 6 13.642 9.437 -7.496 45 HG3 LYS 6 HG1 LYS 6 12.246 8.354 -7.483 46 HD2 LYS 6 HD2 LYS 6 13.959 9.020 -9.914 47 HD3 LYS 6 HD1 LYS 6 14.035 7.523 -8.984 48 HE2 LYS 6 HE2 LYS 6 11.640 7.079 -9.614 49 HE3 LYS 6 HE1 LYS 6 11.681 8.513 -10.641 50 HZ1 LYS 6 HZ1 LYS 6 13.447 7.470 -11.932 51 HZ2 LYS 6 HZ2 LYS 6 12.055 6.507 -11.909 52 HZ3 LYS 6 HZ3 LYS 6 13.381 6.098 -10.943 53 H LEU 7 HN LEU 7 10.757 13.018 -6.039 54 HA LEU 7 HA LEU 7 9.321 14.496 -8.125 55 HB2 LEU 7 HB2 LEU 7 7.667 13.170 -6.700 56 HB3 LEU 7 HB1 LEU 7 8.177 14.110 -5.319 57 HG LEU 7 HG LEU 7 6.893 15.406 -7.765 58 HD11 LEU 7 HD11 LEU 7 5.330 13.703 -6.912 59 HD12 LEU 7 HD12 LEU 7 4.731 15.332 -6.610 60 HD13 LEU 7 HD13 LEU 7 5.442 14.396 -5.290 61 HD21 LEU 7 HD21 LEU 7 7.110 16.374 -4.888 62 HD22 LEU 7 HD22 LEU 7 6.312 17.226 -6.214 63 HD23 LEU 7 HD23 LEU 7 8.055 16.975 -6.255 64 H ASN 8 HN ASN 8 10.941 16.007 -8.267 65 HA ASN 8 HA ASN 8 12.035 17.271 -5.842 66 HB2 ASN 8 HB2 ASN 8 13.736 16.490 -7.392 67 HB3 ASN 8 HB1 ASN 8 12.956 17.313 -8.745 68 HD21 ASN 8 HD21 ASN 8 14.829 17.788 -5.794 69 HD22 ASN 8 HD22 ASN 8 15.369 19.379 -6.176 70 H ASN 9 HN ASN 9 11.492 18.721 -9.065 71 HA ASN 9 HA ASN 9 10.467 21.147 -7.818 72 HB2 ASN 9 HB2 ASN 9 12.069 21.272 -9.747 73 HB3 ASN 9 HB1 ASN 9 10.845 20.532 -10.782 74 HD21 ASN 9 HD21 ASN 9 10.696 22.347 -12.150 75 HD22 ASN 9 HD22 ASN 9 9.988 23.841 -11.643 76 H GLU 10 HN GLU 10 8.469 20.842 -7.061 77 HA GLU 10 HA GLU 10 6.434 19.206 -8.022 78 HB2 GLU 10 HB2 GLU 10 6.582 20.208 -5.748 79 HB3 GLU 10 HB1 GLU 10 6.191 21.786 -6.427 80 HG2 GLU 10 HG2 GLU 10 3.977 21.013 -7.062 81 HG3 GLU 10 HG1 GLU 10 4.373 19.372 -6.558 82 H GLU 11 HN GLU 11 7.345 22.442 -8.910 83 HA GLU 11 HA GLU 11 5.152 23.473 -10.219 84 HB2 GLU 11 HB2 GLU 11 7.293 24.666 -9.745 85 HB3 GLU 11 HB1 GLU 11 8.083 23.725 -11.001 86 HG2 GLU 11 HG2 GLU 11 6.488 24.734 -12.669 87 HG3 GLU 11 HG1 GLU 11 5.895 25.788 -11.384 88 H LYS 12 HN LYS 12 7.651 21.281 -11.532 89 HA LYS 12 HA LYS 12 6.978 21.143 -14.245 90 HB2 LYS 12 HB2 LYS 12 7.906 18.833 -12.471 91 HB3 LYS 12 HB1 LYS 12 8.070 18.907 -14.224 92 HG2 LYS 12 HG2 LYS 12 9.401 20.923 -12.393 93 HG3 LYS 12 HG1 LYS 12 10.153 19.374 -12.765 94 HD2 LYS 12 HD2 LYS 12 9.324 21.388 -14.892 95 HD3 LYS 12 HD1 LYS 12 10.935 21.341 -14.166 96 HE2 LYS 12 HE2 LYS 12 11.245 19.037 -14.981 97 HE3 LYS 12 HE1 LYS 12 9.629 19.057 -15.687 98 HZ1 LYS 12 HZ1 LYS 12 11.907 20.782 -16.472 99 HZ2 LYS 12 HZ2 LYS 12 10.350 20.861 -17.131 100 HZ3 LYS 12 HZ3 LYS 12 11.290 19.467 -17.341 101 H LEU 13 HN LEU 13 5.781 19.321 -11.510 102 HA LEU 13 HA LEU 13 4.094 17.538 -12.969 103 HB2 LEU 13 HB2 LEU 13 4.309 18.116 -10.005 104 HB3 LEU 13 HB1 LEU 13 3.301 16.858 -10.701 105 HG LEU 13 HG LEU 13 5.578 16.035 -11.786 106 HD11 LEU 13 HD11 LEU 13 6.993 17.878 -11.054 107 HD12 LEU 13 HD12 LEU 13 7.542 16.347 -10.375 108 HD13 LEU 13 HD13 LEU 13 6.654 17.490 -9.364 109 HD21 LEU 13 HD21 LEU 13 5.939 14.528 -9.899 110 HD22 LEU 13 HD22 LEU 13 4.229 14.707 -10.284 111 HD23 LEU 13 HD23 LEU 13 4.908 15.546 -8.887 112 H VAL 14 HN VAL 14 3.559 20.484 -11.087 113 HA VAL 14 HA VAL 14 0.753 20.590 -11.123 114 HB VAL 14 HB VAL 14 2.728 22.915 -11.216 115 HG11 VAL 14 HG11 VAL 14 0.895 24.288 -10.231 116 HG12 VAL 14 HG12 VAL 14 -0.209 22.918 -10.372 117 HG13 VAL 14 HG13 VAL 14 0.447 23.674 -11.825 118 HG21 VAL 14 HG21 VAL 14 3.120 21.415 -9.314 119 HG22 VAL 14 HG22 VAL 14 1.432 21.560 -8.827 120 HG23 VAL 14 HG23 VAL 14 2.493 22.970 -8.766 121 H LYS 15 HN LYS 15 3.147 21.891 -13.412 122 HA LYS 15 HA LYS 15 1.519 23.072 -15.332 123 HB2 LYS 15 HB2 LYS 15 4.167 21.605 -15.670 124 HB3 LYS 15 HB1 LYS 15 3.419 22.567 -16.942 125 HG2 LYS 15 HG2 LYS 15 3.648 24.589 -15.616 126 HG3 LYS 15 HG1 LYS 15 4.269 23.664 -14.247 127 HD2 LYS 15 HD2 LYS 15 6.256 23.023 -15.524 128 HD3 LYS 15 HD1 LYS 15 5.621 23.817 -16.969 129 HE2 LYS 15 HE2 LYS 15 6.376 25.218 -14.385 130 HE3 LYS 15 HE1 LYS 15 7.357 25.166 -15.848 131 HZ1 LYS 15 HZ1 LYS 15 4.678 26.416 -15.581 132 HZ2 LYS 15 HZ2 LYS 15 5.560 26.306 -17.020 133 HZ3 LYS 15 HZ3 LYS 15 6.158 27.220 -15.733 134 H LYS 16 HN LYS 16 2.766 19.723 -15.228 135 HA LYS 16 HA LYS 16 1.490 18.874 -17.620 136 HB2 LYS 16 HB2 LYS 16 3.488 17.770 -16.548 137 HB3 LYS 16 HB1 LYS 16 2.415 17.107 -15.328 138 HG2 LYS 16 HG2 LYS 16 2.929 15.421 -17.035 139 HG3 LYS 16 HG1 LYS 16 1.208 15.826 -17.060 140 HD2 LYS 16 HD2 LYS 16 2.019 15.669 -19.351 141 HD3 LYS 16 HD1 LYS 16 1.607 17.344 -19.000 142 HE2 LYS 16 HE2 LYS 16 4.054 17.780 -18.560 143 HE3 LYS 16 HE1 LYS 16 4.401 16.142 -19.119 144 HZ1 LYS 16 HZ1 LYS 16 3.374 16.748 -21.255 145 HZ2 LYS 16 HZ2 LYS 16 4.722 17.701 -20.889 146 HZ3 LYS 16 HZ3 LYS 16 3.167 18.333 -20.696 147 H ALA 17 HN ALA 17 0.446 18.956 -14.273 148 HA ALA 17 HA ALA 17 -1.929 17.374 -14.618 149 HB1 ALA 17 HB1 ALA 17 -0.887 17.650 -12.413 150 HB2 ALA 17 HB2 ALA 17 -2.560 18.213 -12.390 151 HB3 ALA 17 HB3 ALA 17 -1.235 19.379 -12.448 152 H LEU 18 HN LEU 18 -1.107 20.782 -15.027 153 HA LEU 18 HA LEU 18 -3.772 21.762 -15.385 154 HB2 LEU 18 HB2 LEU 18 -1.204 22.927 -16.528 155 HB3 LEU 18 HB1 LEU 18 -2.753 23.749 -16.428 156 HG LEU 18 HG LEU 18 -0.953 22.982 -14.111 157 HD11 LEU 18 HD11 LEU 18 -0.157 24.933 -15.317 158 HD12 LEU 18 HD12 LEU 18 -0.744 25.388 -13.720 159 HD13 LEU 18 HD13 LEU 18 -1.733 25.714 -15.149 160 HD21 LEU 18 HD21 LEU 18 -2.566 24.077 -12.629 161 HD22 LEU 18 HD22 LEU 18 -3.260 22.666 -13.416 162 HD23 LEU 18 HD23 LEU 18 -3.684 24.286 -13.981 163 H GLU 19 HN GLU 19 -1.321 20.381 -17.509 164 HA GLU 19 HA GLU 19 -2.639 20.828 -19.985 165 HB2 GLU 19 HB2 GLU 19 -0.581 18.734 -19.213 166 HB3 GLU 19 HB1 GLU 19 -1.051 19.112 -20.870 167 HG2 GLU 19 HG2 GLU 19 -0.125 21.361 -20.661 168 HG3 GLU 19 HG1 GLU 19 0.231 21.094 -18.954 169 H ILE 20 HN ILE 20 -2.319 17.863 -18.034 170 HA ILE 20 HA ILE 20 -4.086 16.309 -19.635 171 HB ILE 20 HB ILE 20 -3.162 15.732 -16.784 172 HG12 ILE 20 HG12 ILE 20 -1.186 16.044 -18.227 173 HG13 ILE 20 HG11 ILE 20 -1.349 14.345 -17.814 174 HG21 ILE 20 HG21 ILE 20 -4.244 13.850 -18.909 175 HG22 ILE 20 HG22 ILE 20 -5.070 14.341 -17.430 176 HG23 ILE 20 HG23 ILE 20 -3.611 13.353 -17.337 177 HD11 ILE 20 HD11 ILE 20 -2.278 13.904 -20.035 178 HD12 ILE 20 HD12 ILE 20 -0.676 14.636 -20.109 179 HD13 ILE 20 HD13 ILE 20 -2.103 15.614 -20.445 180 H GLY 21 HN GLY 21 -4.449 17.696 -16.342 181 HA2 GLY 21 HA2 GLY 21 -7.161 17.003 -15.956 182 HA3 GLY 21 HA1 GLY 21 -6.289 18.256 -15.087 183 H GLY 22 HN GLY 22 -5.652 19.848 -17.447 184 HA2 GLY 22 HA2 GLY 22 -7.965 21.467 -17.691 185 HA3 GLY 22 HA1 GLY 22 -6.505 21.603 -18.652 186 H LYS 23 HN LYS 23 -6.396 19.272 -20.057 187 HA LYS 23 HA LYS 23 -8.353 19.669 -22.109 188 HB2 LYS 23 HB2 LYS 23 -7.297 17.861 -23.331 189 HB3 LYS 23 HB1 LYS 23 -6.035 18.856 -22.617 190 HG2 LYS 23 HG2 LYS 23 -5.533 17.215 -20.964 191 HG3 LYS 23 HG1 LYS 23 -6.999 16.306 -21.311 192 HD2 LYS 23 HD2 LYS 23 -6.099 15.740 -23.552 193 HD3 LYS 23 HD1 LYS 23 -4.601 16.589 -23.154 194 HE2 LYS 23 HE2 LYS 23 -4.227 15.011 -21.281 195 HE3 LYS 23 HE1 LYS 23 -5.722 14.169 -21.697 196 HZ1 LYS 23 HZ1 LYS 23 -3.778 13.043 -22.571 197 HZ2 LYS 23 HZ2 LYS 23 -3.344 14.422 -23.446 198 HZ3 LYS 23 HZ3 LYS 23 -4.769 13.597 -23.828 199 H MET 24 HN MET 24 -8.032 17.390 -19.452 200 HA MET 24 HA MET 24 -9.997 15.500 -20.249 201 HB2 MET 24 HB2 MET 24 -8.722 16.176 -17.593 202 HB3 MET 24 HB1 MET 24 -10.016 14.989 -17.681 203 HG2 MET 24 HG2 MET 24 -8.673 13.576 -19.121 204 HG3 MET 24 HG1 MET 24 -7.408 14.799 -19.200 205 HE1 MET 24 HE1 MET 24 -9.329 12.317 -16.745 206 HE2 MET 24 HE2 MET 24 -9.434 13.861 -15.894 207 HE3 MET 24 HE3 MET 24 -8.419 12.568 -15.254 208 H ALA 25 HN ALA 25 -10.105 18.342 -18.106 209 HA ALA 25 HA ALA 25 -12.844 18.338 -17.467 210 HB1 ALA 25 HB1 ALA 25 -11.224 19.796 -16.324 211 HB2 ALA 25 HB2 ALA 25 -12.559 20.748 -16.980 212 HB3 ALA 25 HB3 ALA 25 -10.996 20.734 -17.804 213 H LYS 26 HN LYS 26 -11.076 19.809 -20.150 214 HA LYS 26 HA LYS 26 -13.156 21.149 -21.419 215 HB2 LYS 26 HB2 LYS 26 -10.729 21.433 -21.917 216 HB3 LYS 26 HB1 LYS 26 -10.722 19.871 -22.728 217 HG2 LYS 26 HG2 LYS 26 -12.258 20.720 -24.449 218 HG3 LYS 26 HG1 LYS 26 -12.380 22.271 -23.607 219 HD2 LYS 26 HD2 LYS 26 -9.856 21.103 -24.857 220 HD3 LYS 26 HD1 LYS 26 -10.826 22.422 -25.520 221 HE2 LYS 26 HE2 LYS 26 -10.274 23.823 -23.565 222 HE3 LYS 26 HE1 LYS 26 -9.345 22.494 -22.864 223 HZ1 LYS 26 HZ1 LYS 26 -7.822 22.614 -24.718 224 HZ2 LYS 26 HZ2 LYS 26 -7.941 24.126 -23.969 225 HZ3 LYS 26 HZ3 LYS 26 -8.733 23.843 -25.437 226 H MET 27 HN MET 27 -11.928 17.872 -22.030 227 HA MET 27 HA MET 27 -13.779 17.105 -24.017 228 HB2 MET 27 HB2 MET 27 -12.078 15.419 -22.149 229 HB3 MET 27 HB1 MET 27 -13.002 14.755 -23.493 230 HG2 MET 27 HG2 MET 27 -11.675 16.135 -25.067 231 HG3 MET 27 HG1 MET 27 -10.727 16.749 -23.714 232 HE1 MET 27 HE1 MET 27 -10.289 14.081 -21.906 233 HE2 MET 27 HE2 MET 27 -8.997 15.216 -22.297 234 HE3 MET 27 HE3 MET 27 -8.774 13.490 -22.590 235 H GLN 28 HN GLN 28 -13.917 16.873 -20.478 236 HA GLN 28 HA GLN 28 -16.334 15.365 -20.278 237 HB2 GLN 28 HB2 GLN 28 -14.919 17.295 -18.415 238 HB3 GLN 28 HB1 GLN 28 -16.478 16.611 -17.973 239 HG2 GLN 28 HG2 GLN 28 -14.033 14.944 -18.638 240 HG3 GLN 28 HG1 GLN 28 -14.467 15.443 -17.003 241 HE21 GLN 28 HE21 GLN 28 -16.293 14.530 -16.014 242 HE22 GLN 28 HE22 GLN 28 -17.050 13.093 -16.607 243 H GLY 29 HN GLY 29 -15.636 18.721 -20.940 244 HA2 GLY 29 HA2 GLY 29 -17.260 19.699 -22.546 245 HA3 GLY 29 HA1 GLY 29 -18.541 19.230 -21.434 246 H PHE 30 HN PHE 30 -15.352 20.741 -20.943 247 HA PHE 30 HA PHE 30 -16.650 23.107 -19.683 248 HB2 PHE 30 HB2 PHE 30 -14.386 21.500 -18.398 249 HB3 PHE 30 HB1 PHE 30 -15.042 23.011 -17.785 250 HD1 PHE 30 HD1 PHE 30 -17.481 23.084 -17.021 251 HD2 PHE 30 HD2 PHE 30 -15.420 19.418 -17.785 252 HE1 PHE 30 HE1 PHE 30 -19.166 21.851 -15.718 253 HE2 PHE 30 HE2 PHE 30 -17.107 18.198 -16.482 254 HZ PHE 30 HZ PHE 30 -18.981 19.415 -15.447 255 H ASP 31 HN ASP 31 -14.693 24.655 -18.992 256 HA ASP 31 HA ASP 31 -12.341 24.593 -20.656 257 HB2 ASP 31 HB2 ASP 31 -13.964 25.642 -22.220 258 HB3 ASP 31 HB1 ASP 31 -14.383 26.844 -21.002 259 H LEU 32 HN LEU 32 -10.844 25.030 -19.160 260 HA LEU 32 HA LEU 32 -11.510 26.475 -16.719 261 HB2 LEU 32 HB2 LEU 32 -8.884 25.150 -17.523 262 HB3 LEU 32 HB1 LEU 32 -9.332 25.691 -15.909 263 HG LEU 32 HG LEU 32 -10.549 23.359 -17.451 264 HD11 LEU 32 HD11 LEU 32 -8.367 22.858 -16.462 265 HD12 LEU 32 HD12 LEU 32 -9.649 21.960 -15.655 266 HD13 LEU 32 HD13 LEU 32 -8.944 23.381 -14.875 267 HD21 LEU 32 HD21 LEU 32 -11.381 24.422 -14.726 268 HD22 LEU 32 HD22 LEU 32 -11.959 22.930 -15.473 269 HD23 LEU 32 HD23 LEU 32 -12.337 24.483 -16.211 270 HA PRO 33 HA PRO 33 -10.097 30.406 -18.248 271 HB2 PRO 33 HB2 PRO 33 -9.460 31.157 -15.427 272 HB3 PRO 33 HB1 PRO 33 -10.630 31.871 -16.540 273 HG2 PRO 33 HG2 PRO 33 -11.439 30.379 -14.465 274 HG3 PRO 33 HG1 PRO 33 -12.277 30.295 -16.029 275 HD2 PRO 33 HD2 PRO 33 -10.238 28.390 -14.874 276 HD3 PRO 33 HD1 PRO 33 -11.775 28.032 -15.697 277 H GLN 34 HN GLN 34 -8.202 30.879 -19.214 278 HA GLN 34 HA GLN 34 -5.714 29.679 -18.207 279 HB2 GLN 34 HB2 GLN 34 -6.373 30.897 -20.927 280 HB3 GLN 34 HB1 GLN 34 -4.868 30.078 -20.511 281 HG2 GLN 34 HG2 GLN 34 -7.618 28.801 -20.562 282 HG3 GLN 34 HG1 GLN 34 -6.382 28.631 -21.810 283 HE21 GLN 34 HE21 GLN 34 -4.528 27.353 -21.364 284 HE22 GLN 34 HE22 GLN 34 -4.522 26.202 -20.078 285 H SER 35 HN SER 35 -7.035 32.882 -19.040 286 HA SER 35 HA SER 35 -4.533 34.193 -19.256 287 HB2 SER 35 HB2 SER 35 -5.887 36.326 -19.329 288 HB3 SER 35 HB1 SER 35 -6.374 35.104 -20.499 289 HG SER 35 HG SER 35 -8.130 36.132 -19.363 290 HA PRO 36 HA PRO 36 -5.385 36.082 -14.767 291 HB2 PRO 36 HB2 PRO 36 -6.583 33.685 -13.402 292 HB3 PRO 36 HB1 PRO 36 -6.933 35.402 -13.158 293 HG2 PRO 36 HG2 PRO 36 -8.668 33.876 -14.482 294 HG3 PRO 36 HG1 PRO 36 -8.304 35.520 -15.048 295 HD2 PRO 36 HD2 PRO 36 -7.250 32.882 -16.100 296 HD3 PRO 36 HD1 PRO 36 -7.871 34.284 -17.006 297 H GLN 37 HN GLN 37 -4.952 32.595 -14.945 298 HA GLN 37 HA GLN 37 -3.021 31.411 -15.105 299 HB2 GLN 37 HB2 GLN 37 -1.565 33.470 -15.033 300 HB3 GLN 37 HB1 GLN 37 -1.527 33.320 -13.290 301 HG2 GLN 37 HG2 GLN 37 -0.530 31.133 -15.135 302 HG3 GLN 37 HG1 GLN 37 0.492 32.448 -14.576 303 HE21 GLN 37 HE21 GLN 37 0.641 29.505 -14.158 304 HE22 GLN 37 HE22 GLN 37 0.749 29.303 -12.448 305 HA PRO 38 HA PRO 38 -2.686 30.037 -10.428 306 HB2 PRO 38 HB2 PRO 38 -4.063 31.389 -8.468 307 HB3 PRO 38 HB1 PRO 38 -2.415 31.820 -8.955 308 HG2 PRO 38 HG2 PRO 38 -5.029 33.013 -9.926 309 HG3 PRO 38 HG1 PRO 38 -3.601 33.862 -9.281 310 HD2 PRO 38 HD2 PRO 38 -3.960 33.684 -11.901 311 HD3 PRO 38 HD1 PRO 38 -2.329 33.450 -11.238 312 H VAL 39 HN VAL 39 -5.687 31.378 -11.592 313 HA VAL 39 HA VAL 39 -7.529 29.728 -10.229 314 HB VAL 39 HB VAL 39 -9.182 30.449 -11.911 315 HG11 VAL 39 HG11 VAL 39 -9.031 32.895 -11.545 316 HG12 VAL 39 HG12 VAL 39 -7.353 32.715 -11.029 317 HG13 VAL 39 HG13 VAL 39 -8.650 31.997 -10.072 318 HG21 VAL 39 HG21 VAL 39 -6.818 31.669 -13.392 319 HG22 VAL 39 HG22 VAL 39 -8.517 31.896 -13.814 320 HG23 VAL 39 HG23 VAL 39 -7.785 30.296 -13.939 321 H ARG 40 HN ARG 40 -5.540 29.179 -13.085 322 HA ARG 40 HA ARG 40 -6.885 26.981 -14.248 323 HB2 ARG 40 HB2 ARG 40 -3.864 27.424 -14.076 324 HB3 ARG 40 HB1 ARG 40 -4.667 26.295 -15.166 325 HG2 ARG 40 HG2 ARG 40 -5.788 28.266 -16.254 326 HG3 ARG 40 HG1 ARG 40 -4.808 29.327 -15.238 327 HD2 ARG 40 HD2 ARG 40 -3.812 29.079 -17.471 328 HD3 ARG 40 HD1 ARG 40 -2.751 28.382 -16.236 329 HE ARG 40 HE ARG 40 -4.620 26.585 -17.608 330 HH11 ARG 40 HH11 ARG 40 -1.288 27.689 -17.343 331 HH12 ARG 40 HH12 ARG 40 -0.647 26.287 -18.138 332 HH21 ARG 40 HH21 ARG 40 -3.769 24.756 -18.624 333 HH22 ARG 40 HH22 ARG 40 -2.055 24.624 -18.874 334 H VAL 41 HN VAL 41 -4.412 27.174 -11.744 335 HA VAL 41 HA VAL 41 -3.928 24.450 -11.282 336 HB VAL 41 HB VAL 41 -3.589 26.857 -9.424 337 HG11 VAL 41 HG11 VAL 41 -3.551 24.773 -8.123 338 HG12 VAL 41 HG12 VAL 41 -1.953 25.510 -8.170 339 HG13 VAL 41 HG13 VAL 41 -2.313 24.114 -9.189 340 HG21 VAL 41 HG21 VAL 41 -2.347 27.069 -11.555 341 HG22 VAL 41 HG22 VAL 41 -1.578 25.504 -11.273 342 HG23 VAL 41 HG23 VAL 41 -1.233 26.862 -10.198 343 H LYS 42 HN LYS 42 -6.046 26.725 -9.568 344 HA LYS 42 HA LYS 42 -7.053 24.845 -7.670 345 HB2 LYS 42 HB2 LYS 42 -6.856 27.443 -7.507 346 HB3 LYS 42 HB1 LYS 42 -8.377 27.489 -8.378 347 HG2 LYS 42 HG2 LYS 42 -8.065 25.973 -5.772 348 HG3 LYS 42 HG1 LYS 42 -8.425 27.698 -5.797 349 HD2 LYS 42 HD2 LYS 42 -10.145 25.498 -7.022 350 HD3 LYS 42 HD1 LYS 42 -10.464 26.326 -5.495 351 HE2 LYS 42 HE2 LYS 42 -10.390 27.661 -8.233 352 HE3 LYS 42 HE1 LYS 42 -11.850 27.209 -7.352 353 HZ1 LYS 42 HZ1 LYS 42 -9.815 29.148 -6.390 354 HZ2 LYS 42 HZ2 LYS 42 -11.257 28.740 -5.605 355 HZ3 LYS 42 HZ3 LYS 42 -11.303 29.553 -7.085 356 H ALA 43 HN ALA 43 -8.142 25.957 -10.835 357 HA ALA 43 HA ALA 43 -10.779 24.862 -10.782 358 HB1 ALA 43 HB1 ALA 43 -10.129 26.632 -12.368 359 HB2 ALA 43 HB2 ALA 43 -10.791 25.230 -13.210 360 HB3 ALA 43 HB3 ALA 43 -9.045 25.507 -13.192 361 H VAL 44 HN VAL 44 -7.682 23.644 -12.050 362 HA VAL 44 HA VAL 44 -8.560 21.185 -13.106 363 HB VAL 44 HB VAL 44 -5.821 21.976 -12.000 364 HG11 VAL 44 HG11 VAL 44 -6.535 19.465 -13.567 365 HG12 VAL 44 HG12 VAL 44 -6.022 19.516 -11.881 366 HG13 VAL 44 HG13 VAL 44 -4.897 19.985 -13.154 367 HG21 VAL 44 HG21 VAL 44 -6.789 21.670 -14.870 368 HG22 VAL 44 HG22 VAL 44 -5.170 22.165 -14.366 369 HG23 VAL 44 HG23 VAL 44 -6.554 23.204 -14.033 370 H TYR 45 HN TYR 45 -7.304 22.054 -9.885 371 HA TYR 45 HA TYR 45 -7.489 19.646 -8.534 372 HB2 TYR 45 HB2 TYR 45 -6.495 21.394 -7.331 373 HB3 TYR 45 HB1 TYR 45 -7.785 22.529 -7.690 374 HD1 TYR 45 HD1 TYR 45 -6.879 19.594 -5.552 375 HD2 TYR 45 HD2 TYR 45 -9.636 22.797 -6.194 376 HE1 TYR 45 HE1 TYR 45 -7.912 19.159 -3.353 377 HE2 TYR 45 HE2 TYR 45 -10.657 22.369 -4.012 378 HH TYR 45 HH TYR 45 -10.907 20.574 -2.453 379 H LEU 46 HN LEU 46 -10.091 22.113 -8.851 380 HA LEU 46 HA LEU 46 -12.088 20.787 -7.382 381 HB2 LEU 46 HB2 LEU 46 -12.346 22.788 -9.659 382 HB3 LEU 46 HB1 LEU 46 -13.723 22.219 -8.724 383 HG LEU 46 HG LEU 46 -11.376 23.844 -7.663 384 HD11 LEU 46 HD11 LEU 46 -12.937 25.164 -8.995 385 HD12 LEU 46 HD12 LEU 46 -13.051 25.601 -7.292 386 HD13 LEU 46 HD13 LEU 46 -14.295 24.583 -8.027 387 HD21 LEU 46 HD21 LEU 46 -12.099 22.264 -5.942 388 HD22 LEU 46 HD22 LEU 46 -13.777 22.772 -6.141 389 HD23 LEU 46 HD23 LEU 46 -12.577 23.905 -5.512 390 H PHE 47 HN PHE 47 -11.358 20.726 -10.832 391 HA PHE 47 HA PHE 47 -13.412 19.045 -11.726 392 HB2 PHE 47 HB2 PHE 47 -12.257 20.155 -13.460 393 HB3 PHE 47 HB1 PHE 47 -10.674 19.764 -12.796 394 HD1 PHE 47 HD1 PHE 47 -13.685 18.006 -14.229 395 HD2 PHE 47 HD2 PHE 47 -9.423 18.099 -13.866 396 HE1 PHE 47 HE1 PHE 47 -13.510 16.021 -15.663 397 HE2 PHE 47 HE2 PHE 47 -9.258 16.127 -15.312 398 HZ PHE 47 HZ PHE 47 -11.307 15.077 -16.206 399 H LEU 48 HN LEU 48 -10.118 18.246 -10.581 400 HA LEU 48 HA LEU 48 -10.252 15.468 -11.118 401 HB2 LEU 48 HB2 LEU 48 -8.469 17.011 -9.219 402 HB3 LEU 48 HB1 LEU 48 -8.249 15.310 -9.599 403 HG LEU 48 HG LEU 48 -7.976 17.633 -11.547 404 HD11 LEU 48 HD11 LEU 48 -5.603 17.060 -11.587 405 HD12 LEU 48 HD12 LEU 48 -5.870 15.790 -10.390 406 HD13 LEU 48 HD13 LEU 48 -6.130 17.481 -9.958 407 HD21 LEU 48 HD21 LEU 48 -8.874 15.680 -12.719 408 HD22 LEU 48 HD22 LEU 48 -7.578 14.670 -12.074 409 HD23 LEU 48 HD23 LEU 48 -7.203 15.983 -13.193 410 H VAL 49 HN VAL 49 -11.002 17.354 -8.197 411 HA VAL 49 HA VAL 49 -11.437 15.163 -6.434 412 HB VAL 49 HB VAL 49 -12.644 17.964 -6.281 413 HG11 VAL 49 HG11 VAL 49 -13.919 16.372 -4.892 414 HG12 VAL 49 HG12 VAL 49 -13.005 17.478 -3.866 415 HG13 VAL 49 HG13 VAL 49 -12.426 15.828 -4.119 416 HG21 VAL 49 HG21 VAL 49 -10.826 18.466 -4.675 417 HG22 VAL 49 HG22 VAL 49 -10.172 18.010 -6.249 418 HG23 VAL 49 HG23 VAL 49 -10.158 16.848 -4.923 419 H ASP 50 HN ASP 50 -13.538 17.044 -8.569 420 HA ASP 50 HA ASP 50 -16.022 15.786 -8.025 421 HB2 ASP 50 HB2 ASP 50 -15.754 17.974 -9.230 422 HB3 ASP 50 HB1 ASP 50 -15.052 17.126 -10.597 423 H ALA 51 HN ALA 51 -13.406 15.052 -10.279 424 HA ALA 51 HA ALA 51 -14.870 12.946 -11.667 425 HB1 ALA 51 HB1 ALA 51 -12.918 12.902 -13.171 426 HB2 ALA 51 HB2 ALA 51 -12.059 14.016 -12.101 427 HB3 ALA 51 HB3 ALA 51 -13.506 14.551 -12.960 428 H LYS 52 HN LYS 52 -13.624 12.876 -8.743 429 HA LYS 52 HA LYS 52 -13.150 11.191 -7.295 430 HB2 LYS 52 HB2 LYS 52 -13.537 9.336 -9.682 431 HB3 LYS 52 HB1 LYS 52 -13.547 8.843 -7.991 432 HG2 LYS 52 HG2 LYS 52 -15.551 10.811 -9.148 433 HG3 LYS 52 HG1 LYS 52 -15.817 9.067 -9.151 434 HD2 LYS 52 HD2 LYS 52 -15.365 10.744 -6.647 435 HD3 LYS 52 HD1 LYS 52 -16.947 10.259 -7.266 436 HE2 LYS 52 HE2 LYS 52 -16.230 7.857 -7.036 437 HE3 LYS 52 HE1 LYS 52 -14.747 8.425 -6.265 438 HZ1 LYS 52 HZ1 LYS 52 -17.499 8.900 -5.277 439 HZ2 LYS 52 HZ2 LYS 52 -16.080 9.413 -4.522 440 HZ3 LYS 52 HZ3 LYS 52 -16.412 7.761 -4.659 441 H GLN 53 HN GLN 53 -11.057 12.383 -9.166 442 HA GLN 53 HA GLN 53 -8.983 10.408 -9.488 443 HB2 GLN 53 HB2 GLN 53 -8.907 13.434 -9.843 444 HB3 GLN 53 HB1 GLN 53 -7.662 12.309 -10.381 445 HG2 GLN 53 HG2 GLN 53 -10.520 12.364 -11.404 446 HG3 GLN 53 HG1 GLN 53 -9.142 13.112 -12.211 447 HE21 GLN 53 HE21 GLN 53 -10.987 10.926 -13.060 448 HE22 GLN 53 HE22 GLN 53 -9.955 9.607 -13.484 449 H ILE 54 HN ILE 54 -9.370 13.402 -7.535 450 HA ILE 54 HA ILE 54 -7.485 12.304 -5.518 451 HB ILE 54 HB ILE 54 -6.705 14.623 -4.996 452 HG12 ILE 54 HG12 ILE 54 -8.225 15.405 -7.522 453 HG13 ILE 54 HG11 ILE 54 -8.633 15.892 -5.884 454 HG21 ILE 54 HG21 ILE 54 -5.165 14.866 -6.894 455 HG22 ILE 54 HG22 ILE 54 -6.163 13.771 -7.852 456 HG23 ILE 54 HG23 ILE 54 -5.335 13.177 -6.411 457 HD11 ILE 54 HD11 ILE 54 -7.581 17.691 -7.104 458 HD12 ILE 54 HD12 ILE 54 -6.159 16.695 -7.410 459 HD13 ILE 54 HD13 ILE 54 -6.557 17.184 -5.760 460 H ALA 55 HN ALA 55 -7.776 13.127 -3.378 461 HA ALA 55 HA ALA 55 -10.534 13.533 -2.566 462 HB1 ALA 55 HB1 ALA 55 -9.097 11.973 -1.308 463 HB2 ALA 55 HB2 ALA 55 -9.608 13.303 -0.269 464 HB3 ALA 55 HB3 ALA 55 -7.971 13.278 -0.933 465 HA PRO 56 HA PRO 56 -10.006 17.982 -2.176 466 HB2 PRO 56 HB2 PRO 56 -11.995 18.663 -0.479 467 HB3 PRO 56 HB1 PRO 56 -12.329 18.021 -2.094 468 HG2 PRO 56 HG2 PRO 56 -12.342 16.572 0.551 469 HG3 PRO 56 HG1 PRO 56 -13.543 16.509 -0.755 470 HD2 PRO 56 HD2 PRO 56 -11.590 14.606 -0.424 471 HD3 PRO 56 HD1 PRO 56 -12.281 15.011 -2.011 472 H LEU 57 HN LEU 57 -9.062 19.524 -0.936 473 HA LEU 57 HA LEU 57 -7.888 18.914 1.657 474 HB2 LEU 57 HB2 LEU 57 -7.799 21.383 -0.127 475 HB3 LEU 57 HB1 LEU 57 -6.843 21.169 1.334 476 HG LEU 57 HG LEU 57 -6.593 19.307 -1.062 477 HD11 LEU 57 HD11 LEU 57 -4.963 21.801 -0.504 478 HD12 LEU 57 HD12 LEU 57 -6.090 21.557 -1.840 479 HD13 LEU 57 HD13 LEU 57 -4.616 20.597 -1.748 480 HD21 LEU 57 HD21 LEU 57 -4.419 18.731 -0.064 481 HD22 LEU 57 HD22 LEU 57 -5.726 18.418 1.075 482 HD23 LEU 57 HD23 LEU 57 -4.709 19.849 1.271 483 HA PRO 58 HA PRO 58 -11.134 21.217 3.948 484 HB2 PRO 58 HB2 PRO 58 -9.576 22.217 6.018 485 HB3 PRO 58 HB1 PRO 58 -10.203 20.565 5.975 486 HG2 PRO 58 HG2 PRO 58 -7.474 21.577 5.174 487 HG3 PRO 58 HG1 PRO 58 -7.893 20.154 6.155 488 HD2 PRO 58 HD2 PRO 58 -7.244 19.881 3.564 489 HD3 PRO 58 HD1 PRO 58 -8.538 18.889 4.279 490 H ASP 59 HN ASP 59 -11.673 23.499 4.398 491 HA ASP 59 HA ASP 59 -10.776 25.320 2.424 492 HB2 ASP 59 HB2 ASP 59 -12.281 25.937 5.006 493 HB3 ASP 59 HB1 ASP 59 -12.157 27.009 3.614 494 H SER 60 HN SER 60 -9.675 24.675 5.648 495 HA SER 60 HA SER 60 -8.053 26.967 6.113 496 HB2 SER 60 HB2 SER 60 -7.756 24.136 7.205 497 HB3 SER 60 HB1 SER 60 -7.069 25.604 7.910 498 HG SER 60 HG SER 60 -9.137 26.314 8.392 499 H LYS 61 HN LYS 61 -7.459 23.859 4.472 500 HA LYS 61 HA LYS 61 -4.715 24.717 3.740 501 HB2 LYS 61 HB2 LYS 61 -5.977 21.944 3.879 502 HB3 LYS 61 HB1 LYS 61 -4.397 22.247 3.152 503 HG2 LYS 61 HG2 LYS 61 -5.145 22.823 6.042 504 HG3 LYS 61 HG1 LYS 61 -4.208 21.433 5.478 505 HD2 LYS 61 HD2 LYS 61 -2.392 22.863 4.753 506 HD3 LYS 61 HD1 LYS 61 -3.345 24.320 5.044 507 HE2 LYS 61 HE2 LYS 61 -3.317 23.891 7.440 508 HE3 LYS 61 HE1 LYS 61 -2.433 22.383 7.187 509 HZ1 LYS 61 HZ1 LYS 61 -0.606 23.666 6.256 510 HZ2 LYS 61 HZ2 LYS 61 -0.950 24.153 7.835 511 HZ3 LYS 61 HZ3 LYS 61 -1.449 25.106 6.531 512 H LEU 62 HN LEU 62 -7.522 25.263 2.537 513 HA LEU 62 HA LEU 62 -7.109 24.433 -0.235 514 HB2 LEU 62 HB2 LEU 62 -9.396 25.025 1.193 515 HB3 LEU 62 HB1 LEU 62 -9.134 26.559 0.396 516 HG LEU 62 HG LEU 62 -10.712 25.141 -0.843 517 HD11 LEU 62 HD11 LEU 62 -9.390 26.715 -2.149 518 HD12 LEU 62 HD12 LEU 62 -9.736 25.256 -3.072 519 HD13 LEU 62 HD13 LEU 62 -8.131 25.498 -2.380 520 HD21 LEU 62 HD21 LEU 62 -10.025 23.051 -1.894 521 HD22 LEU 62 HD22 LEU 62 -9.861 22.957 -0.143 522 HD23 LEU 62 HD23 LEU 62 -8.425 23.177 -1.150 523 H ASP 63 HN ASP 63 -5.021 25.298 -0.293 524 HA ASP 63 HA ASP 63 -4.763 28.195 -0.765 525 HB2 ASP 63 HB2 ASP 63 -3.896 27.981 1.458 526 HB3 ASP 63 HB1 ASP 63 -3.133 26.435 1.098 527 H GLY 64 HN GLY 64 -3.098 28.718 -2.255 528 HA2 GLY 64 HA2 GLY 64 -3.055 27.263 -4.574 529 HA3 GLY 64 HA1 GLY 64 -1.850 28.471 -4.154 530 H ALA 65 HN ALA 65 -0.534 27.207 -2.049 531 HA ALA 65 HA ALA 65 1.338 25.580 -3.467 532 HB1 ALA 65 HB1 ALA 65 2.481 25.388 -1.293 533 HB2 ALA 65 HB2 ALA 65 1.060 26.041 -0.470 534 HB3 ALA 65 HB3 ALA 65 1.972 27.049 -1.596 535 H ASN 66 HN ASN 66 -1.243 24.849 -1.150 536 HA ASN 66 HA ASN 66 -0.677 22.048 -0.844 537 HB2 ASN 66 HB2 ASN 66 -3.163 23.675 -0.160 538 HB3 ASN 66 HB1 ASN 66 -2.946 21.986 0.277 539 HD21 ASN 66 HD21 ASN 66 -1.783 25.269 0.872 540 HD22 ASN 66 HD22 ASN 66 -1.030 24.913 2.383 541 H ILE 67 HN ILE 67 -2.820 23.945 -2.894 542 HA ILE 67 HA ILE 67 -4.309 21.884 -4.118 543 HB ILE 67 HB ILE 67 -3.496 24.617 -5.227 544 HG12 ILE 67 HG12 ILE 67 -4.863 24.783 -3.148 545 HG13 ILE 67 HG11 ILE 67 -5.743 25.400 -4.540 546 HG21 ILE 67 HG21 ILE 67 -4.125 23.151 -7.070 547 HG22 ILE 67 HG22 ILE 67 -5.375 24.371 -6.828 548 HG23 ILE 67 HG23 ILE 67 -5.627 22.723 -6.252 549 HD11 ILE 67 HD11 ILE 67 -7.034 23.349 -4.650 550 HD12 ILE 67 HD12 ILE 67 -7.154 24.101 -3.059 551 HD13 ILE 67 HD13 ILE 67 -6.129 22.689 -3.285 552 H LYS 68 HN LYS 68 -1.316 23.529 -5.039 553 HA LYS 68 HA LYS 68 -0.698 22.187 -7.424 554 HB2 LYS 68 HB2 LYS 68 1.027 23.598 -5.354 555 HB3 LYS 68 HB1 LYS 68 1.701 22.960 -6.852 556 HG2 LYS 68 HG2 LYS 68 0.266 24.422 -8.175 557 HG3 LYS 68 HG1 LYS 68 -0.538 24.999 -6.712 558 HD2 LYS 68 HD2 LYS 68 1.596 25.986 -5.939 559 HD3 LYS 68 HD1 LYS 68 2.389 25.427 -7.418 560 HE2 LYS 68 HE2 LYS 68 0.956 26.871 -8.770 561 HE3 LYS 68 HE1 LYS 68 0.033 27.350 -7.344 562 HZ1 LYS 68 HZ1 LYS 68 2.898 27.928 -7.834 563 HZ2 LYS 68 HZ2 LYS 68 2.032 28.370 -6.456 564 HZ3 LYS 68 HZ3 LYS 68 1.623 29.036 -7.957 565 H HIS 69 HN HIS 69 -0.093 21.363 -4.077 566 HA HIS 69 HA HIS 69 1.692 19.191 -4.479 567 HB2 HIS 69 HB2 HIS 69 1.321 20.509 -2.332 568 HB3 HIS 69 HB1 HIS 69 -0.194 19.640 -2.125 569 HD1 HIS 69 HD1 HIS 69 3.539 19.048 -2.249 570 HD2 HIS 69 HD2 HIS 69 0.088 17.163 -0.905 571 HE1 HIS 69 HE1 HIS 69 4.332 17.092 -0.896 572 HE2 HIS 69 HE2 HIS 69 2.227 16.065 0.031 573 H ARG 70 HN ARG 70 -1.871 19.364 -4.075 574 HA ARG 70 HA ARG 70 -2.535 16.633 -4.284 575 HB2 ARG 70 HB2 ARG 70 -4.041 19.155 -5.051 576 HB3 ARG 70 HB1 ARG 70 -4.726 17.581 -5.408 577 HG2 ARG 70 HG2 ARG 70 -4.046 18.630 -2.654 578 HG3 ARG 70 HG1 ARG 70 -5.658 18.517 -3.361 579 HD2 ARG 70 HD2 ARG 70 -5.151 15.969 -3.587 580 HD3 ARG 70 HD1 ARG 70 -3.833 16.277 -2.447 581 HE ARG 70 HE ARG 70 -6.615 17.046 -1.788 582 HH11 ARG 70 HH11 ARG 70 -3.743 15.201 -0.930 583 HH12 ARG 70 HH12 ARG 70 -4.434 14.603 0.545 584 HH21 ARG 70 HH21 ARG 70 -7.502 16.247 0.142 585 HH22 ARG 70 HH22 ARG 70 -6.562 15.195 1.149 586 H LEU 71 HN LEU 71 -2.161 19.097 -6.810 587 HA LEU 71 HA LEU 71 -2.827 17.498 -9.043 588 HB2 LEU 71 HB2 LEU 71 -1.062 19.973 -8.952 589 HB3 LEU 71 HB1 LEU 71 -1.800 19.295 -10.393 590 HG LEU 71 HG LEU 71 -3.185 20.702 -8.090 591 HD11 LEU 71 HD11 LEU 71 -2.172 22.167 -9.756 592 HD12 LEU 71 HD12 LEU 71 -3.929 22.277 -9.785 593 HD13 LEU 71 HD13 LEU 71 -3.083 21.366 -11.042 594 HD21 LEU 71 HD21 LEU 71 -4.524 19.213 -10.368 595 HD22 LEU 71 HD22 LEU 71 -5.333 20.305 -9.241 596 HD23 LEU 71 HD23 LEU 71 -4.603 18.818 -8.647 597 H ALA 72 HN ALA 72 0.197 18.176 -7.394 598 HA ALA 72 HA ALA 72 2.032 17.155 -9.272 599 HB1 ALA 72 HB1 ALA 72 3.645 17.152 -7.422 600 HB2 ALA 72 HB2 ALA 72 2.329 17.354 -6.260 601 HB3 ALA 72 HB3 ALA 72 2.687 18.635 -7.419 602 H LEU 73 HN LEU 73 0.747 15.648 -6.283 603 HA LEU 73 HA LEU 73 1.998 13.127 -6.803 604 HB2 LEU 73 HB2 LEU 73 -0.072 13.981 -4.782 605 HB3 LEU 73 HB1 LEU 73 0.398 12.297 -4.953 606 HG LEU 73 HG LEU 73 2.839 13.151 -4.611 607 HD11 LEU 73 HD11 LEU 73 3.092 15.161 -3.237 608 HD12 LEU 73 HD12 LEU 73 1.371 15.519 -3.435 609 HD13 LEU 73 HD13 LEU 73 2.445 15.537 -4.835 610 HD21 LEU 73 HD21 LEU 73 0.890 13.136 -2.303 611 HD22 LEU 73 HD22 LEU 73 2.644 12.964 -2.182 612 HD23 LEU 73 HD23 LEU 73 1.696 11.736 -3.019 613 H TRP 74 HN TRP 74 -1.152 14.479 -7.639 614 HA TRP 74 HA TRP 74 -2.456 12.111 -8.431 615 HB2 TRP 74 HB2 TRP 74 -3.739 14.190 -8.365 616 HB3 TRP 74 HB1 TRP 74 -2.722 14.920 -9.603 617 HD1 TRP 74 HD1 TRP 74 -5.143 11.872 -9.284 618 HE1 TRP 74 HE1 TRP 74 -6.296 11.519 -11.551 619 HE3 TRP 74 HE3 TRP 74 -2.801 15.539 -11.982 620 HZ2 TRP 74 HZ2 TRP 74 -6.238 12.629 -14.130 621 HZ3 TRP 74 HZ3 TRP 74 -3.411 15.830 -14.352 622 HH2 TRP 74 HH2 TRP 74 -5.100 14.400 -15.400 623 H ILE 75 HN ILE 75 -0.658 14.448 -10.488 624 HA ILE 75 HA ILE 75 -0.813 12.817 -12.798 625 HB ILE 75 HB ILE 75 -0.531 15.294 -12.915 626 HG12 ILE 75 HG12 ILE 75 1.026 15.321 -14.860 627 HG13 ILE 75 HG11 ILE 75 1.643 13.741 -14.392 628 HG21 ILE 75 HG21 ILE 75 1.115 15.627 -11.137 629 HG22 ILE 75 HG22 ILE 75 1.701 16.312 -12.653 630 HG23 ILE 75 HG23 ILE 75 2.338 14.771 -12.078 631 HD11 ILE 75 HD11 ILE 75 -1.181 14.332 -15.278 632 HD12 ILE 75 HD12 ILE 75 -0.532 12.743 -14.859 633 HD13 ILE 75 HD13 ILE 75 0.093 13.611 -16.260 634 H HIS 76 HN HIS 76 1.548 13.054 -10.190 635 HA HIS 76 HA HIS 76 3.708 11.710 -11.436 636 HB2 HIS 76 HB2 HIS 76 3.737 13.036 -9.199 637 HB3 HIS 76 HB1 HIS 76 3.151 11.560 -8.439 638 HD1 HIS 76 HD1 HIS 76 5.080 10.429 -7.355 639 HD2 HIS 76 HD2 HIS 76 6.157 12.158 -10.975 640 HE1 HIS 76 HE1 HIS 76 7.520 9.934 -7.642 641 HE2 HIS 76 HE2 HIS 76 8.145 10.953 -9.858 642 H ALA 77 HN ALA 77 1.050 10.560 -9.367 643 HA ALA 77 HA ALA 77 1.690 7.769 -9.592 644 HB1 ALA 77 HB1 ALA 77 0.455 8.662 -7.668 645 HB2 ALA 77 HB2 ALA 77 -0.489 7.417 -8.490 646 HB3 ALA 77 HB3 ALA 77 -0.881 9.123 -8.722 647 H ALA 78 HN ALA 78 -0.154 10.030 -11.524 648 HA ALA 78 HA ALA 78 -1.730 8.172 -13.008 649 HB1 ALA 78 HB1 ALA 78 -0.838 10.959 -13.827 650 HB2 ALA 78 HB2 ALA 78 -2.292 10.581 -12.904 651 HB3 ALA 78 HB3 ALA 78 -2.139 10.022 -14.571 652 H LEU 79 HN LEU 79 1.471 9.595 -13.441 653 HA LEU 79 HA LEU 79 2.142 8.416 -15.937 654 HB2 LEU 79 HB2 LEU 79 3.964 9.278 -13.653 655 HB3 LEU 79 HB1 LEU 79 4.478 8.971 -15.305 656 HG LEU 79 HG LEU 79 2.551 11.190 -14.521 657 HD11 LEU 79 HD11 LEU 79 4.393 12.769 -14.854 658 HD12 LEU 79 HD12 LEU 79 5.508 11.418 -15.093 659 HD13 LEU 79 HD13 LEU 79 4.722 11.648 -13.532 660 HD21 LEU 79 HD21 LEU 79 2.937 12.092 -16.753 661 HD22 LEU 79 HD22 LEU 79 2.278 10.462 -16.849 662 HD23 LEU 79 HD23 LEU 79 3.997 10.735 -17.144 663 HA PRO 80 HA PRO 80 2.189 4.192 -14.329 664 HB2 PRO 80 HB2 PRO 80 3.508 3.457 -16.908 665 HB3 PRO 80 HB1 PRO 80 1.970 2.899 -16.234 666 HG2 PRO 80 HG2 PRO 80 2.013 4.593 -18.308 667 HG3 PRO 80 HG1 PRO 80 0.797 4.767 -17.022 668 HD2 PRO 80 HD2 PRO 80 3.366 6.316 -17.417 669 HD3 PRO 80 HD1 PRO 80 1.735 6.921 -17.037 670 H ASP 81 HN ASP 81 4.999 5.938 -15.131 671 HA ASP 81 HA ASP 81 6.776 3.935 -13.834 672 HB2 ASP 81 HB2 ASP 81 7.440 6.094 -15.893 673 HB3 ASP 81 HB1 ASP 81 8.643 5.086 -15.090 674 H ASN 82 HN ASN 82 5.165 6.755 -13.196 675 HA ASN 82 HA ASN 82 5.408 8.597 -11.911 676 HB2 ASN 82 HB2 ASN 82 7.029 6.568 -10.364 677 HB3 ASN 82 HB1 ASN 82 7.022 8.238 -9.822 678 HD21 ASN 82 HD21 ASN 82 4.243 6.472 -11.228 679 HD22 ASN 82 HD22 ASN 82 3.285 6.550 -9.796 680 H ASP 83 HN ASP 83 6.554 9.119 -14.074 681 HA ASP 83 HA ASP 83 9.304 9.387 -14.386 682 HB2 ASP 83 HB2 ASP 83 7.042 11.021 -15.628 683 HB3 ASP 83 HB1 ASP 83 8.698 11.004 -16.227 684 HA PRO 84 HA PRO 84 10.269 13.210 -12.095 685 HB2 PRO 84 HB2 PRO 84 12.588 13.968 -13.231 686 HB3 PRO 84 HB1 PRO 84 12.483 12.452 -12.322 687 HG2 PRO 84 HG2 PRO 84 12.350 12.865 -15.316 688 HG3 PRO 84 HG1 PRO 84 13.313 11.687 -14.395 689 HD2 PRO 84 HD2 PRO 84 10.907 11.058 -15.554 690 HD3 PRO 84 HD1 PRO 84 11.510 10.254 -14.092 691 H LEU 85 HN LEU 85 9.272 13.136 -15.301 692 HA LEU 85 HA LEU 85 8.439 14.551 -16.826 693 HB2 LEU 85 HB2 LEU 85 8.168 16.458 -14.479 694 HB3 LEU 85 HB1 LEU 85 7.454 16.718 -16.062 695 HG LEU 85 HG LEU 85 6.271 14.408 -15.635 696 HD11 LEU 85 HD11 LEU 85 7.457 13.748 -13.631 697 HD12 LEU 85 HD12 LEU 85 5.740 13.933 -13.280 698 HD13 LEU 85 HD13 LEU 85 6.886 15.182 -12.780 699 HD21 LEU 85 HD21 LEU 85 5.095 16.518 -15.853 700 HD22 LEU 85 HD22 LEU 85 5.398 16.889 -14.154 701 HD23 LEU 85 HD23 LEU 85 4.366 15.524 -14.593 702 H LYS 86 HN LYS 86 11.287 14.454 -16.377 703 HA LYS 86 HA LYS 86 12.674 16.832 -16.211 704 HB2 LYS 86 HB2 LYS 86 13.707 14.616 -15.977 705 HB3 LYS 86 HB1 LYS 86 13.430 14.277 -17.679 706 HG2 LYS 86 HG2 LYS 86 15.756 14.846 -17.352 707 HG3 LYS 86 HG1 LYS 86 14.977 16.119 -18.297 708 HD2 LYS 86 HD2 LYS 86 14.805 17.515 -16.254 709 HD3 LYS 86 HD1 LYS 86 15.584 16.242 -15.313 710 HE2 LYS 86 HE2 LYS 86 17.625 16.493 -16.718 711 HE3 LYS 86 HE1 LYS 86 16.835 17.797 -17.606 712 HZ1 LYS 86 HZ1 LYS 86 16.684 19.034 -15.523 713 HZ2 LYS 86 HZ2 LYS 86 18.282 18.675 -15.928 714 HZ3 LYS 86 HZ3 LYS 86 17.501 17.795 -14.715 Start of MODEL 10 1 H MET 1 HT1 MET 1 8.190 -0.356 -9.613 2 HA MET 1 HA MET 1 8.326 1.876 -10.405 3 HB2 MET 1 HB2 MET 1 6.916 0.714 -12.838 4 HB3 MET 1 HB1 MET 1 6.884 2.433 -12.484 5 HG2 MET 1 HG2 MET 1 9.369 2.479 -12.618 6 HG3 MET 1 HG1 MET 1 9.345 0.774 -13.088 7 HE1 MET 1 HE1 MET 1 10.800 1.589 -15.304 8 HE2 MET 1 HE2 MET 1 10.663 3.274 -14.790 9 HE3 MET 1 HE3 MET 1 10.196 2.810 -16.425 10 H SER 2 HN SER 2 6.929 3.105 -9.292 11 HA SER 2 HA SER 2 4.083 2.408 -8.983 12 HB2 SER 2 HB2 SER 2 6.015 2.824 -6.639 13 HB3 SER 2 HB1 SER 2 4.264 2.620 -6.494 14 HG SER 2 HG SER 2 4.815 0.563 -7.775 15 H LYS 3 HN LYS 3 3.467 4.354 -7.045 16 HA LYS 3 HA LYS 3 3.485 6.834 -8.403 17 HB2 LYS 3 HB2 LYS 3 1.730 6.183 -6.843 18 HB3 LYS 3 HB1 LYS 3 2.867 6.078 -5.519 19 HG2 LYS 3 HG2 LYS 3 2.464 8.741 -6.865 20 HG3 LYS 3 HG1 LYS 3 1.197 8.144 -5.799 21 HD2 LYS 3 HD2 LYS 3 4.079 8.777 -5.079 22 HD3 LYS 3 HD1 LYS 3 2.627 9.610 -4.517 23 HE2 LYS 3 HE2 LYS 3 3.521 6.791 -3.786 24 HE3 LYS 3 HE1 LYS 3 3.492 8.193 -2.721 25 HZ1 LYS 3 HZ1 LYS 3 1.082 8.219 -2.911 26 HZ2 LYS 3 HZ2 LYS 3 1.629 6.741 -2.304 27 HZ3 LYS 3 HZ3 LYS 3 1.121 6.860 -3.914 28 H THR 4 HN THR 4 5.414 5.558 -5.720 29 HA THR 4 HA THR 4 7.428 5.967 -4.834 30 HB THR 4 HB THR 4 9.283 6.596 -6.268 31 HG1 THR 4 HG1 THR 4 7.370 7.511 -8.177 32 HG21 THR 4 HG21 THR 4 8.324 4.367 -6.719 33 HG22 THR 4 HG22 THR 4 8.971 5.086 -8.194 34 HG23 THR 4 HG23 THR 4 7.231 5.071 -7.915 35 H ALA 5 HN ALA 5 9.292 8.155 -5.138 36 HA ALA 5 HA ALA 5 7.826 10.434 -3.926 37 HB1 ALA 5 HB1 ALA 5 9.736 10.728 -2.404 38 HB2 ALA 5 HB2 ALA 5 10.554 9.348 -3.140 39 HB3 ALA 5 HB3 ALA 5 9.058 9.104 -2.239 40 H LYS 6 HN LYS 6 9.091 9.770 -6.757 41 HA LYS 6 HA LYS 6 11.173 11.704 -7.174 42 HB2 LYS 6 HB2 LYS 6 9.423 10.069 -9.044 43 HB3 LYS 6 HB1 LYS 6 10.453 11.333 -9.695 44 HG2 LYS 6 HG2 LYS 6 11.532 9.166 -9.901 45 HG3 LYS 6 HG1 LYS 6 12.445 10.211 -8.812 46 HD2 LYS 6 HD2 LYS 6 11.458 9.009 -6.861 47 HD3 LYS 6 HD1 LYS 6 10.577 7.956 -7.973 48 HE2 LYS 6 HE2 LYS 6 12.621 6.871 -7.115 49 HE3 LYS 6 HE1 LYS 6 12.699 7.095 -8.863 50 HZ1 LYS 6 HZ1 LYS 6 14.772 7.663 -7.809 51 HZ2 LYS 6 HZ2 LYS 6 14.007 8.810 -6.830 52 HZ3 LYS 6 HZ3 LYS 6 14.081 9.041 -8.502 53 H LEU 7 HN LEU 7 10.267 13.576 -6.175 54 HA LEU 7 HA LEU 7 8.649 15.272 -7.897 55 HB2 LEU 7 HB2 LEU 7 7.072 13.842 -6.446 56 HB3 LEU 7 HB1 LEU 7 7.681 14.707 -5.052 57 HG LEU 7 HG LEU 7 6.378 16.197 -7.364 58 HD11 LEU 7 HD11 LEU 7 4.210 16.053 -6.193 59 HD12 LEU 7 HD12 LEU 7 4.911 14.930 -5.026 60 HD13 LEU 7 HD13 LEU 7 4.778 14.474 -6.728 61 HD21 LEU 7 HD21 LEU 7 5.814 17.880 -5.667 62 HD22 LEU 7 HD22 LEU 7 7.552 17.593 -5.697 63 HD23 LEU 7 HD23 LEU 7 6.569 16.896 -4.407 64 H ASN 8 HN ASN 8 10.660 16.347 -7.973 65 HA ASN 8 HA ASN 8 11.570 17.760 -5.532 66 HB2 ASN 8 HB2 ASN 8 12.917 17.486 -8.270 67 HB3 ASN 8 HB1 ASN 8 13.594 18.343 -6.890 68 HD21 ASN 8 HD21 ASN 8 15.438 17.034 -6.871 69 HD22 ASN 8 HD22 ASN 8 15.401 15.391 -6.340 70 H ASN 9 HN ASN 9 11.365 18.520 -9.019 71 HA ASN 9 HA ASN 9 10.607 21.280 -8.511 72 HB2 ASN 9 HB2 ASN 9 11.113 19.680 -11.054 73 HB3 ASN 9 HB1 ASN 9 10.507 21.330 -11.095 74 HD21 ASN 9 HD21 ASN 9 12.891 20.244 -8.712 75 HD22 ASN 9 HD22 ASN 9 14.207 21.147 -9.357 76 H GLU 10 HN GLU 10 8.621 21.061 -7.480 77 HA GLU 10 HA GLU 10 6.462 19.470 -8.238 78 HB2 GLU 10 HB2 GLU 10 6.697 20.611 -6.029 79 HB3 GLU 10 HB1 GLU 10 6.372 22.159 -6.802 80 HG2 GLU 10 HG2 GLU 10 4.110 21.352 -7.435 81 HG3 GLU 10 HG1 GLU 10 4.434 19.823 -6.622 82 H GLU 11 HN GLU 11 7.375 22.732 -9.280 83 HA GLU 11 HA GLU 11 5.351 23.738 -10.781 84 HB2 GLU 11 HB2 GLU 11 8.315 23.591 -11.486 85 HB3 GLU 11 HB1 GLU 11 7.176 24.562 -12.411 86 HG2 GLU 11 HG2 GLU 11 7.737 24.939 -9.454 87 HG3 GLU 11 HG1 GLU 11 8.522 25.849 -10.746 88 H LYS 12 HN LYS 12 7.652 21.277 -11.928 89 HA LYS 12 HA LYS 12 6.756 20.926 -14.550 90 HB2 LYS 12 HB2 LYS 12 8.112 18.964 -12.648 91 HB3 LYS 12 HB1 LYS 12 7.867 18.625 -14.353 92 HG2 LYS 12 HG2 LYS 12 9.350 21.133 -13.594 93 HG3 LYS 12 HG1 LYS 12 10.177 19.590 -13.426 94 HD2 LYS 12 HD2 LYS 12 10.746 20.547 -15.581 95 HD3 LYS 12 HD1 LYS 12 9.753 19.119 -15.840 96 HE2 LYS 12 HE2 LYS 12 7.783 20.614 -16.201 97 HE3 LYS 12 HE1 LYS 12 8.851 22.012 -16.056 98 HZ1 LYS 12 HZ1 LYS 12 10.110 21.128 -17.967 99 HZ2 LYS 12 HZ2 LYS 12 8.502 21.477 -18.353 100 HZ3 LYS 12 HZ3 LYS 12 8.982 19.875 -18.115 101 H LEU 13 HN LEU 13 5.891 19.084 -11.628 102 HA LEU 13 HA LEU 13 4.180 17.260 -12.979 103 HB2 LEU 13 HB2 LEU 13 4.439 17.878 -10.016 104 HB3 LEU 13 HB1 LEU 13 3.441 16.594 -10.676 105 HG LEU 13 HG LEU 13 5.722 15.790 -11.799 106 HD11 LEU 13 HD11 LEU 13 6.812 17.297 -9.408 107 HD12 LEU 13 HD12 LEU 13 7.098 17.682 -11.107 108 HD13 LEU 13 HD13 LEU 13 7.711 16.173 -10.437 109 HD21 LEU 13 HD21 LEU 13 5.124 15.301 -8.872 110 HD22 LEU 13 HD22 LEU 13 6.143 14.294 -9.905 111 HD23 LEU 13 HD23 LEU 13 4.421 14.445 -10.245 112 H VAL 14 HN VAL 14 3.559 20.227 -11.125 113 HA VAL 14 HA VAL 14 0.752 20.153 -11.029 114 HB VAL 14 HB VAL 14 2.590 22.589 -11.132 115 HG11 VAL 14 HG11 VAL 14 0.730 23.876 -10.109 116 HG12 VAL 14 HG12 VAL 14 -0.335 22.476 -10.267 117 HG13 VAL 14 HG13 VAL 14 0.294 23.276 -11.709 118 HG21 VAL 14 HG21 VAL 14 1.368 21.153 -8.750 119 HG22 VAL 14 HG22 VAL 14 2.368 22.606 -8.681 120 HG23 VAL 14 HG23 VAL 14 3.058 21.088 -9.246 121 H LYS 15 HN LYS 15 2.936 21.686 -13.398 122 HA LYS 15 HA LYS 15 0.899 22.752 -15.049 123 HB2 LYS 15 HB2 LYS 15 3.854 22.259 -15.570 124 HB3 LYS 15 HB1 LYS 15 2.803 23.167 -16.661 125 HG2 LYS 15 HG2 LYS 15 2.387 24.856 -14.967 126 HG3 LYS 15 HG1 LYS 15 3.221 23.903 -13.742 127 HD2 LYS 15 HD2 LYS 15 5.355 24.191 -15.017 128 HD3 LYS 15 HD1 LYS 15 4.502 25.236 -16.163 129 HE2 LYS 15 HE2 LYS 15 4.044 26.865 -14.426 130 HE3 LYS 15 HE1 LYS 15 4.657 25.785 -13.174 131 HZ1 LYS 15 HZ1 LYS 15 6.847 25.934 -14.330 132 HZ2 LYS 15 HZ2 LYS 15 6.316 27.361 -13.598 133 HZ3 LYS 15 HZ3 LYS 15 6.201 27.180 -15.274 134 H LYS 16 HN LYS 16 2.616 19.660 -15.111 135 HA LYS 16 HA LYS 16 1.516 18.695 -17.581 136 HB2 LYS 16 HB2 LYS 16 3.501 17.673 -16.551 137 HB3 LYS 16 HB1 LYS 16 2.554 17.183 -15.158 138 HG2 LYS 16 HG2 LYS 16 2.974 15.273 -16.609 139 HG3 LYS 16 HG1 LYS 16 1.248 15.637 -16.567 140 HD2 LYS 16 HD2 LYS 16 1.460 16.785 -18.765 141 HD3 LYS 16 HD1 LYS 16 3.176 16.368 -18.800 142 HE2 LYS 16 HE2 LYS 16 2.565 13.953 -18.743 143 HE3 LYS 16 HE1 LYS 16 0.856 14.401 -18.775 144 HZ1 LYS 16 HZ1 LYS 16 2.868 14.952 -20.880 145 HZ2 LYS 16 HZ2 LYS 16 1.264 15.488 -20.913 146 HZ3 LYS 16 HZ3 LYS 16 1.600 13.836 -20.961 147 H ALA 17 HN ALA 17 0.422 18.669 -14.230 148 HA ALA 17 HA ALA 17 -1.888 17.011 -14.620 149 HB1 ALA 17 HB1 ALA 17 -1.292 19.009 -12.416 150 HB2 ALA 17 HB2 ALA 17 -0.864 17.298 -12.402 151 HB3 ALA 17 HB3 ALA 17 -2.561 17.781 -12.384 152 H LEU 18 HN LEU 18 -1.181 20.442 -14.981 153 HA LEU 18 HA LEU 18 -3.865 21.344 -15.387 154 HB2 LEU 18 HB2 LEU 18 -1.334 22.583 -16.552 155 HB3 LEU 18 HB1 LEU 18 -2.899 23.363 -16.389 156 HG LEU 18 HG LEU 18 -0.966 22.630 -14.169 157 HD11 LEU 18 HD11 LEU 18 -0.900 25.026 -13.697 158 HD12 LEU 18 HD12 LEU 18 -1.996 25.337 -15.047 159 HD13 LEU 18 HD13 LEU 18 -0.386 24.680 -15.347 160 HD21 LEU 18 HD21 LEU 18 -3.767 23.726 -13.826 161 HD22 LEU 18 HD22 LEU 18 -2.559 23.544 -12.553 162 HD23 LEU 18 HD23 LEU 18 -3.202 22.118 -13.359 163 H GLU 19 HN GLU 19 -1.314 20.049 -17.492 164 HA GLU 19 HA GLU 19 -2.593 20.358 -19.987 165 HB2 GLU 19 HB2 GLU 19 -0.600 18.224 -19.106 166 HB3 GLU 19 HB1 GLU 19 -1.074 18.503 -20.778 167 HG2 GLU 19 HG2 GLU 19 0.364 20.493 -18.997 168 HG3 GLU 19 HG1 GLU 19 1.118 19.491 -20.232 169 H ILE 20 HN ILE 20 -2.431 17.438 -17.934 170 HA ILE 20 HA ILE 20 -4.193 15.892 -19.550 171 HB ILE 20 HB ILE 20 -3.363 15.392 -16.656 172 HG12 ILE 20 HG12 ILE 20 -1.363 15.559 -18.087 173 HG13 ILE 20 HG11 ILE 20 -1.605 13.884 -17.614 174 HG21 ILE 20 HG21 ILE 20 -3.914 13.008 -17.107 175 HG22 ILE 20 HG22 ILE 20 -4.514 13.456 -18.706 176 HG23 ILE 20 HG23 ILE 20 -5.326 14.055 -17.259 177 HD11 ILE 20 HD11 ILE 20 -0.902 14.051 -19.923 178 HD12 ILE 20 HD12 ILE 20 -2.277 15.083 -20.306 179 HD13 ILE 20 HD13 ILE 20 -2.538 13.400 -19.837 180 H GLY 21 HN GLY 21 -4.648 17.458 -16.360 181 HA2 GLY 21 HA2 GLY 21 -7.381 16.868 -16.018 182 HA3 GLY 21 HA1 GLY 21 -6.516 18.184 -15.239 183 H GLY 22 HN GLY 22 -5.750 19.487 -17.719 184 HA2 GLY 22 HA2 GLY 22 -7.973 21.186 -18.172 185 HA3 GLY 22 HA1 GLY 22 -6.473 21.172 -19.080 186 H LYS 23 HN LYS 23 -6.387 18.808 -20.338 187 HA LYS 23 HA LYS 23 -8.268 19.194 -22.457 188 HB2 LYS 23 HB2 LYS 23 -7.151 17.308 -23.601 189 HB3 LYS 23 HB1 LYS 23 -6.016 18.505 -23.013 190 HG2 LYS 23 HG2 LYS 23 -4.875 16.590 -22.455 191 HG3 LYS 23 HG1 LYS 23 -5.774 16.851 -20.963 192 HD2 LYS 23 HD2 LYS 23 -7.436 15.169 -21.654 193 HD3 LYS 23 HD1 LYS 23 -6.583 14.934 -23.185 194 HE2 LYS 23 HE2 LYS 23 -4.585 14.141 -21.913 195 HE3 LYS 23 HE1 LYS 23 -5.486 14.340 -20.408 196 HZ1 LYS 23 HZ1 LYS 23 -7.070 12.698 -21.197 197 HZ2 LYS 23 HZ2 LYS 23 -5.507 12.062 -21.146 198 HZ3 LYS 23 HZ3 LYS 23 -6.187 12.505 -22.624 199 H MET 24 HN MET 24 -8.044 16.881 -19.803 200 HA MET 24 HA MET 24 -10.097 15.118 -20.625 201 HB2 MET 24 HB2 MET 24 -9.040 15.780 -17.861 202 HB3 MET 24 HB1 MET 24 -10.347 14.623 -18.096 203 HG2 MET 24 HG2 MET 24 -8.723 13.379 -19.651 204 HG3 MET 24 HG1 MET 24 -7.469 14.405 -18.958 205 HE1 MET 24 HE1 MET 24 -8.188 13.319 -15.056 206 HE2 MET 24 HE2 MET 24 -9.254 14.428 -15.923 207 HE3 MET 24 HE3 MET 24 -7.498 14.613 -16.040 208 H ALA 25 HN ALA 25 -10.167 17.955 -18.439 209 HA ALA 25 HA ALA 25 -12.874 18.117 -17.866 210 HB1 ALA 25 HB1 ALA 25 -12.502 20.517 -17.428 211 HB2 ALA 25 HB2 ALA 25 -10.962 20.445 -18.289 212 HB3 ALA 25 HB3 ALA 25 -11.176 19.545 -16.787 213 H LYS 26 HN LYS 26 -11.090 19.491 -20.558 214 HA LYS 26 HA LYS 26 -13.065 20.899 -21.877 215 HB2 LYS 26 HB2 LYS 26 -10.618 20.972 -22.347 216 HB3 LYS 26 HB1 LYS 26 -10.718 19.385 -23.098 217 HG2 LYS 26 HG2 LYS 26 -12.017 20.247 -24.934 218 HG3 LYS 26 HG1 LYS 26 -12.250 21.798 -24.119 219 HD2 LYS 26 HD2 LYS 26 -10.530 22.045 -25.847 220 HD3 LYS 26 HD1 LYS 26 -9.796 22.235 -24.256 221 HE2 LYS 26 HE2 LYS 26 -8.318 20.905 -25.614 222 HE3 LYS 26 HE1 LYS 26 -9.029 19.835 -24.405 223 HZ1 LYS 26 HZ1 LYS 26 -10.575 19.046 -26.070 224 HZ2 LYS 26 HZ2 LYS 26 -8.988 18.845 -26.602 225 HZ3 LYS 26 HZ3 LYS 26 -9.931 20.105 -27.216 226 H MET 27 HN MET 27 -12.008 17.532 -22.461 227 HA MET 27 HA MET 27 -13.894 16.773 -24.408 228 HB2 MET 27 HB2 MET 27 -12.469 15.050 -22.346 229 HB3 MET 27 HB1 MET 27 -13.376 14.405 -23.710 230 HG2 MET 27 HG2 MET 27 -11.796 15.598 -25.244 231 HG3 MET 27 HG1 MET 27 -10.843 16.048 -23.833 232 HE1 MET 27 HE1 MET 27 -9.608 14.164 -22.242 233 HE2 MET 27 HE2 MET 27 -9.731 12.435 -22.558 234 HE3 MET 27 HE3 MET 27 -11.158 13.340 -22.055 235 H GLN 28 HN GLN 28 -14.060 16.607 -20.860 236 HA GLN 28 HA GLN 28 -16.453 15.110 -20.625 237 HB2 GLN 28 HB2 GLN 28 -15.306 17.156 -18.680 238 HB3 GLN 28 HB1 GLN 28 -16.566 15.988 -18.292 239 HG2 GLN 28 HG2 GLN 28 -13.633 15.482 -18.831 240 HG3 GLN 28 HG1 GLN 28 -14.525 15.154 -17.355 241 HE21 GLN 28 HE21 GLN 28 -13.702 14.024 -20.526 242 HE22 GLN 28 HE22 GLN 28 -14.396 12.452 -20.377 243 H GLY 29 HN GLY 29 -15.762 18.489 -21.140 244 HA2 GLY 29 HA2 GLY 29 -17.427 19.607 -22.607 245 HA3 GLY 29 HA1 GLY 29 -18.656 19.109 -21.447 246 H PHE 30 HN PHE 30 -15.389 20.534 -21.163 247 HA PHE 30 HA PHE 30 -16.542 22.841 -19.668 248 HB2 PHE 30 HB2 PHE 30 -14.151 21.188 -18.712 249 HB3 PHE 30 HB1 PHE 30 -14.651 22.719 -18.007 250 HD1 PHE 30 HD1 PHE 30 -17.061 22.836 -17.015 251 HD2 PHE 30 HD2 PHE 30 -15.041 19.160 -17.849 252 HE1 PHE 30 HE1 PHE 30 -18.543 21.654 -15.454 253 HE2 PHE 30 HE2 PHE 30 -16.530 17.989 -16.286 254 HZ PHE 30 HZ PHE 30 -18.285 19.237 -15.087 255 H ASP 31 HN ASP 31 -14.922 24.565 -19.328 256 HA ASP 31 HA ASP 31 -12.610 24.652 -21.110 257 HB2 ASP 31 HB2 ASP 31 -14.514 25.631 -22.441 258 HB3 ASP 31 HB1 ASP 31 -14.791 26.809 -21.159 259 H LEU 32 HN LEU 32 -11.238 24.744 -19.417 260 HA LEU 32 HA LEU 32 -11.773 26.117 -16.971 261 HB2 LEU 32 HB2 LEU 32 -9.203 24.874 -18.027 262 HB3 LEU 32 HB1 LEU 32 -9.416 25.472 -16.386 263 HG LEU 32 HG LEU 32 -10.968 23.158 -17.633 264 HD11 LEU 32 HD11 LEU 32 -8.806 23.079 -15.509 265 HD12 LEU 32 HD12 LEU 32 -8.626 22.574 -17.190 266 HD13 LEU 32 HD13 LEU 32 -9.722 21.699 -16.125 267 HD21 LEU 32 HD21 LEU 32 -11.896 22.769 -15.380 268 HD22 LEU 32 HD22 LEU 32 -12.355 24.356 -15.988 269 HD23 LEU 32 HD23 LEU 32 -11.077 24.215 -14.778 270 HA PRO 33 HA PRO 33 -10.626 30.312 -18.042 271 HB2 PRO 33 HB2 PRO 33 -9.526 30.348 -15.216 272 HB3 PRO 33 HB1 PRO 33 -10.588 31.516 -16.024 273 HG2 PRO 33 HG2 PRO 33 -11.635 29.791 -14.303 274 HG3 PRO 33 HG1 PRO 33 -12.480 30.115 -15.836 275 HD2 PRO 33 HD2 PRO 33 -10.778 27.739 -15.073 276 HD3 PRO 33 HD1 PRO 33 -12.304 27.786 -15.986 277 H GLN 34 HN GLN 34 -8.905 31.304 -18.929 278 HA GLN 34 HA GLN 34 -6.232 30.089 -18.757 279 HB2 GLN 34 HB2 GLN 34 -7.318 32.216 -20.655 280 HB3 GLN 34 HB1 GLN 34 -5.772 31.378 -20.802 281 HG2 GLN 34 HG2 GLN 34 -6.971 29.240 -21.104 282 HG3 GLN 34 HG1 GLN 34 -8.513 30.084 -20.991 283 HE21 GLN 34 HE21 GLN 34 -7.421 28.494 -23.202 284 HE22 GLN 34 HE22 GLN 34 -7.417 29.535 -24.584 285 H SER 35 HN SER 35 -7.678 32.099 -16.879 286 HA SER 35 HA SER 35 -6.314 34.512 -16.596 287 HB2 SER 35 HB2 SER 35 -7.505 32.683 -14.456 288 HB3 SER 35 HB1 SER 35 -7.228 34.412 -14.279 289 HG SER 35 HG SER 35 -9.412 33.352 -15.066 290 HA PRO 36 HA PRO 36 -2.146 34.720 -15.129 291 HB2 PRO 36 HB2 PRO 36 -2.971 34.005 -12.307 292 HB3 PRO 36 HB1 PRO 36 -1.793 35.203 -12.862 293 HG2 PRO 36 HG2 PRO 36 -4.490 35.733 -12.252 294 HG3 PRO 36 HG1 PRO 36 -3.421 36.794 -13.190 295 HD2 PRO 36 HD2 PRO 36 -5.741 35.483 -14.164 296 HD3 PRO 36 HD1 PRO 36 -4.495 36.272 -15.156 297 H GLN 37 HN GLN 37 -2.404 32.403 -12.500 298 HA GLN 37 HA GLN 37 -1.659 30.088 -14.069 299 HB2 GLN 37 HB2 GLN 37 0.353 31.354 -12.166 300 HB3 GLN 37 HB1 GLN 37 0.428 29.655 -12.605 301 HG2 GLN 37 HG2 GLN 37 0.711 30.294 -14.980 302 HG3 GLN 37 HG1 GLN 37 0.678 31.995 -14.513 303 HE21 GLN 37 HE21 GLN 37 2.522 29.030 -14.401 304 HE22 GLN 37 HE22 GLN 37 4.029 29.746 -13.945 305 HA PRO 38 HA PRO 38 -2.161 28.510 -9.527 306 HB2 PRO 38 HB2 PRO 38 -2.825 30.160 -7.455 307 HB3 PRO 38 HB1 PRO 38 -1.151 29.894 -7.970 308 HG2 PRO 38 HG2 PRO 38 -2.999 32.187 -8.650 309 HG3 PRO 38 HG1 PRO 38 -1.295 32.236 -8.138 310 HD2 PRO 38 HD2 PRO 38 -2.043 32.453 -10.749 311 HD3 PRO 38 HD1 PRO 38 -0.514 31.692 -10.266 312 H VAL 39 HN VAL 39 -4.320 31.074 -10.504 313 HA VAL 39 HA VAL 39 -6.784 30.081 -9.545 314 HB VAL 39 HB VAL 39 -7.756 31.439 -11.520 315 HG11 VAL 39 HG11 VAL 39 -7.213 33.614 -10.485 316 HG12 VAL 39 HG12 VAL 39 -5.864 32.878 -9.616 317 HG13 VAL 39 HG13 VAL 39 -7.519 32.386 -9.255 318 HG21 VAL 39 HG21 VAL 39 -5.840 31.261 -13.052 319 HG22 VAL 39 HG22 VAL 39 -4.812 32.136 -11.917 320 HG23 VAL 39 HG23 VAL 39 -6.169 32.956 -12.692 321 H ARG 40 HN ARG 40 -4.907 29.315 -12.459 322 HA ARG 40 HA ARG 40 -6.892 27.637 -13.704 323 HB2 ARG 40 HB2 ARG 40 -3.878 27.694 -14.157 324 HB3 ARG 40 HB1 ARG 40 -5.066 26.899 -15.193 325 HG2 ARG 40 HG2 ARG 40 -6.099 29.235 -15.506 326 HG3 ARG 40 HG1 ARG 40 -4.614 29.858 -14.784 327 HD2 ARG 40 HD2 ARG 40 -4.465 29.902 -17.226 328 HD3 ARG 40 HD1 ARG 40 -3.296 28.747 -16.569 329 HE ARG 40 HE ARG 40 -5.452 27.190 -17.059 330 HH11 ARG 40 HH11 ARG 40 -3.772 29.458 -19.149 331 HH12 ARG 40 HH12 ARG 40 -4.135 28.560 -20.587 332 HH21 ARG 40 HH21 ARG 40 -5.907 26.043 -18.930 333 HH22 ARG 40 HH22 ARG 40 -5.342 26.631 -20.461 334 H VAL 41 HN VAL 41 -4.062 27.164 -11.674 335 HA VAL 41 HA VAL 41 -4.000 24.365 -11.514 336 HB VAL 41 HB VAL 41 -3.176 26.422 -9.406 337 HG11 VAL 41 HG11 VAL 41 -1.718 24.704 -8.476 338 HG12 VAL 41 HG12 VAL 41 -2.259 23.539 -9.680 339 HG13 VAL 41 HG13 VAL 41 -3.382 24.143 -8.467 340 HG21 VAL 41 HG21 VAL 41 -1.501 25.115 -11.595 341 HG22 VAL 41 HG22 VAL 41 -0.893 26.216 -10.353 342 HG23 VAL 41 HG23 VAL 41 -2.037 26.797 -11.562 343 H LYS 42 HN LYS 42 -5.750 26.780 -9.656 344 HA LYS 42 HA LYS 42 -6.979 25.041 -7.766 345 HB2 LYS 42 HB2 LYS 42 -6.551 27.633 -7.687 346 HB3 LYS 42 HB1 LYS 42 -8.066 27.769 -8.557 347 HG2 LYS 42 HG2 LYS 42 -7.851 26.315 -5.902 348 HG3 LYS 42 HG1 LYS 42 -8.103 28.057 -5.992 349 HD2 LYS 42 HD2 LYS 42 -9.971 25.932 -7.135 350 HD3 LYS 42 HD1 LYS 42 -10.229 26.829 -5.635 351 HE2 LYS 42 HE2 LYS 42 -10.132 28.019 -8.437 352 HE3 LYS 42 HE1 LYS 42 -11.579 27.782 -7.457 353 HZ1 LYS 42 HZ1 LYS 42 -10.859 30.049 -7.334 354 HZ2 LYS 42 HZ2 LYS 42 -9.315 29.592 -6.841 355 HZ3 LYS 42 HZ3 LYS 42 -10.633 29.326 -5.825 356 H ALA 43 HN ALA 43 -7.954 26.374 -10.918 357 HA ALA 43 HA ALA 43 -10.612 25.436 -11.052 358 HB1 ALA 43 HB1 ALA 43 -8.664 25.912 -13.342 359 HB2 ALA 43 HB2 ALA 43 -9.699 27.132 -12.596 360 HB3 ALA 43 HB3 ALA 43 -10.421 25.793 -13.489 361 H VAL 44 HN VAL 44 -7.601 23.941 -12.243 362 HA VAL 44 HA VAL 44 -8.698 21.562 -13.299 363 HB VAL 44 HB VAL 44 -5.871 22.149 -12.286 364 HG11 VAL 44 HG11 VAL 44 -5.115 20.139 -13.537 365 HG12 VAL 44 HG12 VAL 44 -6.795 19.729 -13.900 366 HG13 VAL 44 HG13 VAL 44 -6.221 19.707 -12.232 367 HG21 VAL 44 HG21 VAL 44 -5.305 22.368 -14.685 368 HG22 VAL 44 HG22 VAL 44 -6.571 23.508 -14.229 369 HG23 VAL 44 HG23 VAL 44 -6.985 22.045 -15.122 370 H TYR 45 HN TYR 45 -7.428 22.380 -10.085 371 HA TYR 45 HA TYR 45 -7.615 19.918 -8.794 372 HB2 TYR 45 HB2 TYR 45 -6.517 21.687 -7.666 373 HB3 TYR 45 HB1 TYR 45 -7.877 22.782 -7.852 374 HD1 TYR 45 HD2 TYR 45 -6.594 19.878 -5.883 375 HD2 TYR 45 HD1 TYR 45 -9.667 22.832 -6.231 376 HE1 TYR 45 HE2 TYR 45 -7.376 19.351 -3.604 377 HE2 TYR 45 HE1 TYR 45 -10.442 22.307 -3.973 378 HH TYR 45 HH TYR 45 -10.364 20.486 -2.406 379 H LEU 46 HN LEU 46 -10.103 22.492 -9.058 380 HA LEU 46 HA LEU 46 -12.142 21.247 -7.582 381 HB2 LEU 46 HB2 LEU 46 -12.463 23.158 -9.933 382 HB3 LEU 46 HB1 LEU 46 -13.725 22.750 -8.778 383 HG LEU 46 HG LEU 46 -11.183 24.312 -8.211 384 HD11 LEU 46 HD11 LEU 46 -12.688 26.167 -7.683 385 HD12 LEU 46 HD12 LEU 46 -14.079 25.177 -8.132 386 HD13 LEU 46 HD13 LEU 46 -12.882 25.626 -9.349 387 HD21 LEU 46 HD21 LEU 46 -11.636 22.895 -6.277 388 HD22 LEU 46 HD22 LEU 46 -13.306 23.459 -6.219 389 HD23 LEU 46 HD23 LEU 46 -11.981 24.580 -5.898 390 H PHE 47 HN PHE 47 -11.388 21.138 -11.039 391 HA PHE 47 HA PHE 47 -13.466 19.451 -11.896 392 HB2 PHE 47 HB2 PHE 47 -12.274 20.539 -13.637 393 HB3 PHE 47 HB1 PHE 47 -10.703 20.062 -12.998 394 HD1 PHE 47 HD2 PHE 47 -13.842 18.476 -14.386 395 HD2 PHE 47 HD1 PHE 47 -9.578 18.304 -14.086 396 HE1 PHE 47 HE2 PHE 47 -13.810 16.489 -15.839 397 HE2 PHE 47 HE1 PHE 47 -9.556 16.325 -15.526 398 HZ PHE 47 HZ PHE 47 -11.670 15.406 -16.408 399 H LEU 48 HN LEU 48 -10.170 18.586 -10.760 400 HA LEU 48 HA LEU 48 -10.432 15.800 -11.249 401 HB2 LEU 48 HB2 LEU 48 -8.471 17.303 -9.499 402 HB3 LEU 48 HB1 LEU 48 -8.352 15.585 -9.842 403 HG LEU 48 HG LEU 48 -8.091 17.841 -11.875 404 HD11 LEU 48 HD11 LEU 48 -6.159 17.587 -10.375 405 HD12 LEU 48 HD12 LEU 48 -5.761 17.191 -12.041 406 HD13 LEU 48 HD13 LEU 48 -6.000 15.900 -10.859 407 HD21 LEU 48 HD21 LEU 48 -9.154 15.897 -12.937 408 HD22 LEU 48 HD22 LEU 48 -7.862 14.847 -12.351 409 HD23 LEU 48 HD23 LEU 48 -7.509 16.115 -13.527 410 H VAL 49 HN VAL 49 -11.037 17.763 -8.369 411 HA VAL 49 HA VAL 49 -11.426 15.563 -6.564 412 HB VAL 49 HB VAL 49 -12.413 18.455 -6.323 413 HG11 VAL 49 HG11 VAL 49 -12.678 17.986 -3.905 414 HG12 VAL 49 HG12 VAL 49 -12.227 16.297 -4.176 415 HG13 VAL 49 HG13 VAL 49 -13.717 16.942 -4.876 416 HG21 VAL 49 HG21 VAL 49 -9.948 17.134 -5.114 417 HG22 VAL 49 HG22 VAL 49 -10.482 18.792 -4.816 418 HG23 VAL 49 HG23 VAL 49 -9.955 18.312 -6.428 419 H ASP 50 HN ASP 50 -13.497 17.572 -8.616 420 HA ASP 50 HA ASP 50 -16.030 16.503 -7.907 421 HB2 ASP 50 HB2 ASP 50 -15.679 18.634 -9.163 422 HB3 ASP 50 HB1 ASP 50 -15.120 17.720 -10.555 423 H ALA 51 HN ALA 51 -13.631 15.623 -10.301 424 HA ALA 51 HA ALA 51 -15.109 13.452 -11.517 425 HB1 ALA 51 HB1 ALA 51 -13.084 13.177 -12.891 426 HB2 ALA 51 HB2 ALA 51 -12.219 14.321 -11.858 427 HB3 ALA 51 HB3 ALA 51 -13.579 14.872 -12.836 428 H LYS 52 HN LYS 52 -13.416 13.825 -8.658 429 HA LYS 52 HA LYS 52 -12.810 12.479 -6.974 430 HB2 LYS 52 HB2 LYS 52 -14.110 10.243 -8.586 431 HB3 LYS 52 HB1 LYS 52 -13.718 10.171 -6.868 432 HG2 LYS 52 HG2 LYS 52 -15.723 12.060 -8.164 433 HG3 LYS 52 HG1 LYS 52 -16.120 10.608 -7.238 434 HD2 LYS 52 HD2 LYS 52 -15.275 11.596 -5.191 435 HD3 LYS 52 HD1 LYS 52 -14.589 12.968 -6.065 436 HE2 LYS 52 HE2 LYS 52 -16.674 13.583 -4.896 437 HE3 LYS 52 HE1 LYS 52 -16.829 13.766 -6.642 438 HZ1 LYS 52 HZ1 LYS 52 -17.795 11.415 -5.118 439 HZ2 LYS 52 HZ2 LYS 52 -18.057 11.737 -6.756 440 HZ3 LYS 52 HZ3 LYS 52 -18.761 12.720 -5.576 441 H GLN 53 HN GLN 53 -11.150 12.773 -9.498 442 HA GLN 53 HA GLN 53 -9.322 10.623 -9.722 443 HB2 GLN 53 HB2 GLN 53 -8.791 13.591 -10.217 444 HB3 GLN 53 HB1 GLN 53 -7.859 12.246 -10.864 445 HG2 GLN 53 HG2 GLN 53 -10.735 12.905 -11.558 446 HG3 GLN 53 HG1 GLN 53 -9.325 13.264 -12.551 447 HE21 GLN 53 HE21 GLN 53 -11.489 10.767 -11.443 448 HE22 GLN 53 HE22 GLN 53 -10.971 9.544 -12.547 449 H ILE 54 HN ILE 54 -9.401 13.558 -7.742 450 HA ILE 54 HA ILE 54 -7.485 12.346 -5.833 451 HB ILE 54 HB ILE 54 -6.782 14.683 -5.152 452 HG12 ILE 54 HG12 ILE 54 -8.189 15.525 -7.734 453 HG13 ILE 54 HG11 ILE 54 -8.680 15.965 -6.104 454 HG21 ILE 54 HG21 ILE 54 -6.101 13.931 -8.001 455 HG22 ILE 54 HG22 ILE 54 -5.335 13.292 -6.546 456 HG23 ILE 54 HG23 ILE 54 -5.162 14.999 -6.955 457 HD11 ILE 54 HD11 ILE 54 -6.142 16.820 -7.494 458 HD12 ILE 54 HD12 ILE 54 -6.593 17.242 -5.838 459 HD13 ILE 54 HD13 ILE 54 -7.570 17.807 -7.193 460 H ALA 55 HN ALA 55 -7.727 13.208 -3.664 461 HA ALA 55 HA ALA 55 -10.489 13.434 -2.797 462 HB1 ALA 55 HB1 ALA 55 -9.515 13.198 -0.527 463 HB2 ALA 55 HB2 ALA 55 -7.890 13.256 -1.216 464 HB3 ALA 55 HB3 ALA 55 -8.963 11.910 -1.601 465 HA PRO 56 HA PRO 56 -10.237 17.924 -2.268 466 HB2 PRO 56 HB2 PRO 56 -12.040 18.322 -0.231 467 HB3 PRO 56 HB1 PRO 56 -12.526 17.924 -1.884 468 HG2 PRO 56 HG2 PRO 56 -12.255 16.094 0.499 469 HG3 PRO 56 HG1 PRO 56 -13.563 16.185 -0.700 470 HD2 PRO 56 HD2 PRO 56 -11.609 14.301 -0.827 471 HD3 PRO 56 HD1 PRO 56 -12.358 14.978 -2.293 472 H LEU 57 HN LEU 57 -9.708 19.577 -0.668 473 HA LEU 57 HA LEU 57 -7.956 18.672 1.518 474 HB2 LEU 57 HB2 LEU 57 -8.133 21.298 -0.012 475 HB3 LEU 57 HB1 LEU 57 -7.086 21.060 1.379 476 HG LEU 57 HG LEU 57 -6.851 19.440 -1.195 477 HD11 LEU 57 HD11 LEU 57 -6.391 21.795 -1.703 478 HD12 LEU 57 HD12 LEU 57 -4.908 20.844 -1.771 479 HD13 LEU 57 HD13 LEU 57 -5.228 21.876 -0.375 480 HD21 LEU 57 HD21 LEU 57 -5.928 18.303 0.792 481 HD22 LEU 57 HD22 LEU 57 -4.938 19.719 1.162 482 HD23 LEU 57 HD23 LEU 57 -4.639 18.789 -0.309 483 HA PRO 58 HA PRO 58 -10.921 20.618 4.448 484 HB2 PRO 58 HB2 PRO 58 -9.156 21.176 6.505 485 HB3 PRO 58 HB1 PRO 58 -9.841 19.570 6.221 486 HG2 PRO 58 HG2 PRO 58 -7.153 20.658 5.392 487 HG3 PRO 58 HG1 PRO 58 -7.549 19.085 6.123 488 HD2 PRO 58 HD2 PRO 58 -7.116 19.337 3.466 489 HD3 PRO 58 HD1 PRO 58 -8.325 18.198 4.100 490 H ASP 59 HN ASP 59 -11.245 22.783 5.393 491 HA ASP 59 HA ASP 59 -10.747 24.846 3.570 492 HB2 ASP 59 HB2 ASP 59 -11.658 24.986 6.473 493 HB3 ASP 59 HB1 ASP 59 -11.707 26.355 5.365 494 H SER 60 HN SER 60 -9.060 24.009 6.537 495 HA SER 60 HA SER 60 -7.409 26.294 6.799 496 HB2 SER 60 HB2 SER 60 -7.813 24.743 8.660 497 HB3 SER 60 HB1 SER 60 -7.019 23.436 7.787 498 HG SER 60 HG SER 60 -5.849 25.809 8.818 499 H LYS 61 HN LYS 61 -7.096 23.318 4.909 500 HA LYS 61 HA LYS 61 -4.383 24.048 3.966 501 HB2 LYS 61 HB2 LYS 61 -5.852 21.382 4.004 502 HB3 LYS 61 HB1 LYS 61 -4.437 21.633 2.988 503 HG2 LYS 61 HG2 LYS 61 -3.738 20.542 5.032 504 HG3 LYS 61 HG1 LYS 61 -3.088 22.183 4.997 505 HD2 LYS 61 HD2 LYS 61 -5.143 22.821 6.443 506 HD3 LYS 61 HD1 LYS 61 -5.350 21.088 6.692 507 HE2 LYS 61 HE2 LYS 61 -3.155 20.950 7.741 508 HE3 LYS 61 HE1 LYS 61 -2.834 22.641 7.353 509 HZ1 LYS 61 HZ1 LYS 61 -3.523 22.322 9.665 510 HZ2 LYS 61 HZ2 LYS 61 -5.008 21.709 9.142 511 HZ3 LYS 61 HZ3 LYS 61 -4.593 23.315 8.813 512 H LEU 62 HN LEU 62 -7.380 24.756 3.057 513 HA LEU 62 HA LEU 62 -7.132 24.216 0.191 514 HB2 LEU 62 HB2 LEU 62 -9.358 24.491 1.708 515 HB3 LEU 62 HB1 LEU 62 -9.161 26.181 1.295 516 HG LEU 62 HG LEU 62 -10.768 25.080 -0.209 517 HD11 LEU 62 HD11 LEU 62 -9.861 25.715 -2.399 518 HD12 LEU 62 HD12 LEU 62 -8.244 25.845 -1.701 519 HD13 LEU 62 HD13 LEU 62 -9.527 26.936 -1.171 520 HD21 LEU 62 HD21 LEU 62 -10.119 23.303 -1.756 521 HD22 LEU 62 HD22 LEU 62 -9.886 22.793 -0.085 522 HD23 LEU 62 HD23 LEU 62 -8.493 23.262 -1.065 523 H ASP 63 HN ASP 63 -5.247 25.175 -0.334 524 HA ASP 63 HA ASP 63 -5.038 28.079 -0.507 525 HB2 ASP 63 HB2 ASP 63 -4.082 27.829 1.677 526 HB3 ASP 63 HB1 ASP 63 -3.237 26.350 1.239 527 H GLY 64 HN GLY 64 -3.360 28.724 -1.969 528 HA2 GLY 64 HA2 GLY 64 -3.425 27.455 -4.384 529 HA3 GLY 64 HA1 GLY 64 -2.219 28.644 -3.939 530 H ALA 65 HN ALA 65 -0.719 27.211 -2.040 531 HA ALA 65 HA ALA 65 0.965 25.668 -3.790 532 HB1 ALA 65 HB1 ALA 65 2.413 25.395 -1.822 533 HB2 ALA 65 HB2 ALA 65 1.145 26.055 -0.785 534 HB3 ALA 65 HB3 ALA 65 1.894 27.074 -2.011 535 H ASN 66 HN ASN 66 -1.328 24.871 -1.212 536 HA ASN 66 HA ASN 66 -0.718 22.074 -1.033 537 HB2 ASN 66 HB2 ASN 66 -3.218 23.605 -0.189 538 HB3 ASN 66 HB1 ASN 66 -2.875 21.932 0.240 539 HD21 ASN 66 HD21 ASN 66 -1.865 25.273 0.743 540 HD22 ASN 66 HD22 ASN 66 -1.005 24.975 2.208 541 H ILE 67 HN ILE 67 -3.042 23.986 -2.878 542 HA ILE 67 HA ILE 67 -4.462 22.000 -4.252 543 HB ILE 67 HB ILE 67 -3.552 24.743 -5.260 544 HG12 ILE 67 HG12 ILE 67 -4.936 24.889 -3.186 545 HG13 ILE 67 HG11 ILE 67 -5.741 25.617 -4.567 546 HG21 ILE 67 HG21 ILE 67 -5.379 24.611 -6.895 547 HG22 ILE 67 HG22 ILE 67 -5.764 22.982 -6.339 548 HG23 ILE 67 HG23 ILE 67 -4.218 23.303 -7.118 549 HD11 ILE 67 HD11 ILE 67 -7.300 24.393 -3.207 550 HD12 ILE 67 HD12 ILE 67 -6.338 22.922 -3.362 551 HD13 ILE 67 HD13 ILE 67 -7.135 23.611 -4.783 552 H LYS 68 HN LYS 68 -1.466 23.720 -5.146 553 HA LYS 68 HA LYS 68 -0.809 22.424 -7.535 554 HB2 LYS 68 HB2 LYS 68 0.993 23.680 -5.418 555 HB3 LYS 68 HB1 LYS 68 1.559 23.186 -7.011 556 HG2 LYS 68 HG2 LYS 68 0.110 24.819 -8.086 557 HG3 LYS 68 HG1 LYS 68 -0.606 25.254 -6.535 558 HD2 LYS 68 HD2 LYS 68 1.599 26.101 -5.772 559 HD3 LYS 68 HD1 LYS 68 2.293 25.688 -7.345 560 HE2 LYS 68 HE2 LYS 68 0.758 27.280 -8.440 561 HE3 LYS 68 HE1 LYS 68 0.045 27.681 -6.876 562 HZ1 LYS 68 HZ1 LYS 68 2.882 28.121 -7.629 563 HZ2 LYS 68 HZ2 LYS 68 2.162 28.551 -6.161 564 HZ3 LYS 68 HZ3 LYS 68 1.678 29.312 -7.591 565 H HIS 69 HN HIS 69 -0.076 21.625 -4.201 566 HA HIS 69 HA HIS 69 1.700 19.476 -4.644 567 HB2 HIS 69 HB2 HIS 69 1.404 20.845 -2.514 568 HB3 HIS 69 HB1 HIS 69 -0.059 19.920 -2.199 569 HD1 HIS 69 HD1 HIS 69 0.348 18.038 -0.633 570 HD2 HIS 69 HD2 HIS 69 3.744 18.927 -2.858 571 HE1 HIS 69 HE1 HIS 69 2.124 16.470 0.190 572 HE2 HIS 69 HE2 HIS 69 4.099 16.894 -1.302 573 H ARG 70 HN ARG 70 -1.822 19.647 -4.181 574 HA ARG 70 HA ARG 70 -2.483 16.917 -4.183 575 HB2 ARG 70 HB2 ARG 70 -3.950 19.458 -4.830 576 HB3 ARG 70 HB1 ARG 70 -4.669 17.986 -5.458 577 HG2 ARG 70 HG2 ARG 70 -4.069 18.557 -2.541 578 HG3 ARG 70 HG1 ARG 70 -5.659 18.616 -3.314 579 HD2 ARG 70 HD2 ARG 70 -5.323 16.165 -3.932 580 HD3 ARG 70 HD1 ARG 70 -3.904 16.176 -2.879 581 HE ARG 70 HE ARG 70 -6.626 16.833 -1.908 582 HH11 ARG 70 HH11 ARG 70 -3.578 15.157 -1.458 583 HH12 ARG 70 HH12 ARG 70 -4.109 14.339 -0.023 584 HH21 ARG 70 HH21 ARG 70 -7.307 15.769 -0.037 585 HH22 ARG 70 HH22 ARG 70 -6.220 14.696 0.788 586 H LEU 71 HN LEU 71 -2.242 19.189 -6.900 587 HA LEU 71 HA LEU 71 -2.922 17.332 -8.940 588 HB2 LEU 71 HB2 LEU 71 -1.317 19.901 -9.231 589 HB3 LEU 71 HB1 LEU 71 -2.176 19.052 -10.503 590 HG LEU 71 HG LEU 71 -3.327 20.723 -8.256 591 HD11 LEU 71 HD11 LEU 71 -2.717 21.870 -10.347 592 HD12 LEU 71 HD12 LEU 71 -4.449 21.924 -10.038 593 HD13 LEU 71 HD13 LEU 71 -3.805 20.809 -11.248 594 HD21 LEU 71 HD21 LEU 71 -4.654 18.676 -8.230 595 HD22 LEU 71 HD22 LEU 71 -4.910 18.797 -9.972 596 HD23 LEU 71 HD23 LEU 71 -5.592 20.011 -8.890 597 H ALA 72 HN ALA 72 0.084 18.312 -7.466 598 HA ALA 72 HA ALA 72 1.943 17.259 -9.291 599 HB1 ALA 72 HB1 ALA 72 2.252 17.693 -6.303 600 HB2 ALA 72 HB2 ALA 72 2.552 18.895 -7.560 601 HB3 ALA 72 HB3 ALA 72 3.569 17.456 -7.456 602 H LEU 73 HN LEU 73 0.705 15.855 -6.202 603 HA LEU 73 HA LEU 73 1.983 13.327 -6.552 604 HB2 LEU 73 HB2 LEU 73 -0.188 14.248 -4.671 605 HB3 LEU 73 HB1 LEU 73 0.248 12.550 -4.768 606 HG LEU 73 HG LEU 73 2.683 13.334 -4.297 607 HD11 LEU 73 HD11 LEU 73 2.931 15.390 -2.998 608 HD12 LEU 73 HD12 LEU 73 1.240 15.801 -3.318 609 HD13 LEU 73 HD13 LEU 73 2.399 15.714 -4.648 610 HD21 LEU 73 HD21 LEU 73 1.368 12.036 -2.717 611 HD22 LEU 73 HD22 LEU 73 0.608 13.505 -2.099 612 HD23 LEU 73 HD23 LEU 73 2.340 13.242 -1.877 613 H TRP 74 HN TRP 74 -1.143 14.558 -7.583 614 HA TRP 74 HA TRP 74 -2.452 12.151 -8.229 615 HB2 TRP 74 HB2 TRP 74 -3.676 14.259 -8.279 616 HB3 TRP 74 HB1 TRP 74 -2.638 14.894 -9.548 617 HD1 TRP 74 HD1 TRP 74 -5.091 11.870 -9.133 618 HE1 TRP 74 HE1 TRP 74 -6.304 11.530 -11.370 619 HE3 TRP 74 HE3 TRP 74 -2.790 15.519 -11.872 620 HZ2 TRP 74 HZ2 TRP 74 -6.312 12.659 -13.937 621 HZ3 TRP 74 HZ3 TRP 74 -3.464 15.835 -14.217 622 HH2 TRP 74 HH2 TRP 74 -5.191 14.430 -15.227 623 H ILE 75 HN ILE 75 -0.643 14.337 -10.387 624 HA ILE 75 HA ILE 75 -0.665 12.537 -12.603 625 HB ILE 75 HB ILE 75 -0.541 15.075 -12.740 626 HG12 ILE 75 HG12 ILE 75 0.931 15.117 -14.750 627 HG13 ILE 75 HG11 ILE 75 1.598 13.549 -14.316 628 HG21 ILE 75 HG21 ILE 75 1.684 16.142 -12.602 629 HG22 ILE 75 HG22 ILE 75 2.377 14.629 -12.020 630 HG23 ILE 75 HG23 ILE 75 1.169 15.479 -11.051 631 HD11 ILE 75 HD11 ILE 75 -1.278 14.109 -15.056 632 HD12 ILE 75 HD12 ILE 75 -0.597 12.526 -14.666 633 HD13 ILE 75 HD13 ILE 75 -0.050 13.394 -16.099 634 H HIS 76 HN HIS 76 1.415 12.991 -9.872 635 HA HIS 76 HA HIS 76 3.772 11.696 -10.768 636 HB2 HIS 76 HB2 HIS 76 3.474 13.143 -8.696 637 HB3 HIS 76 HB1 HIS 76 2.655 11.790 -7.932 638 HD1 HIS 76 HD1 HIS 76 4.418 11.631 -6.106 639 HD2 HIS 76 HD2 HIS 76 5.942 11.175 -9.930 640 HE1 HIS 76 HE1 HIS 76 6.753 10.798 -5.801 641 HE2 HIS 76 HE2 HIS 76 7.520 10.240 -8.126 642 H ALA 77 HN ALA 77 0.799 10.520 -9.205 643 HA ALA 77 HA ALA 77 1.486 7.724 -9.255 644 HB1 ALA 77 HB1 ALA 77 -0.190 8.623 -7.688 645 HB2 ALA 77 HB2 ALA 77 -0.889 7.359 -8.701 646 HB3 ALA 77 HB3 ALA 77 -1.238 9.057 -9.041 647 H ALA 78 HN ALA 78 -0.130 9.955 -11.460 648 HA ALA 78 HA ALA 78 -1.148 7.975 -13.291 649 HB1 ALA 78 HB1 ALA 78 -1.826 9.885 -14.672 650 HB2 ALA 78 HB2 ALA 78 -0.864 10.976 -13.670 651 HB3 ALA 78 HB3 ALA 78 -2.265 10.155 -12.983 652 H LEU 79 HN LEU 79 1.917 9.565 -12.934 653 HA LEU 79 HA LEU 79 2.897 8.498 -15.510 654 HB2 LEU 79 HB2 LEU 79 4.287 10.303 -13.478 655 HB3 LEU 79 HB1 LEU 79 5.013 9.731 -14.972 656 HG LEU 79 HG LEU 79 2.654 11.641 -14.738 657 HD11 LEU 79 HD11 LEU 79 4.178 13.331 -15.681 658 HD12 LEU 79 HD12 LEU 79 5.502 12.163 -15.655 659 HD13 LEU 79 HD13 LEU 79 4.770 12.707 -14.143 660 HD21 LEU 79 HD21 LEU 79 3.998 10.591 -17.253 661 HD22 LEU 79 HD22 LEU 79 2.787 11.875 -17.194 662 HD23 LEU 79 HD23 LEU 79 2.354 10.239 -16.706 663 HA PRO 80 HA PRO 80 4.019 5.102 -12.542 664 HB2 PRO 80 HB2 PRO 80 4.124 3.081 -14.398 665 HB3 PRO 80 HB1 PRO 80 2.599 3.663 -13.710 666 HG2 PRO 80 HG2 PRO 80 3.881 4.377 -16.350 667 HG3 PRO 80 HG1 PRO 80 2.190 3.952 -16.007 668 HD2 PRO 80 HD2 PRO 80 2.998 6.531 -16.286 669 HD3 PRO 80 HD1 PRO 80 1.690 6.073 -15.173 670 H ASP 81 HN ASP 81 5.512 6.127 -15.536 671 HA ASP 81 HA ASP 81 8.027 4.821 -15.312 672 HB2 ASP 81 HB2 ASP 81 7.179 5.733 -17.450 673 HB3 ASP 81 HB1 ASP 81 7.216 7.366 -16.794 674 H ASN 82 HN ASN 82 6.739 7.896 -14.176 675 HA ASN 82 HA ASN 82 7.448 9.571 -12.854 676 HB2 ASN 82 HB2 ASN 82 9.141 7.321 -11.689 677 HB3 ASN 82 HB1 ASN 82 9.153 8.948 -11.012 678 HD21 ASN 82 HD21 ASN 82 6.975 6.304 -11.872 679 HD22 ASN 82 HD22 ASN 82 5.804 6.638 -10.647 680 H ASP 83 HN ASP 83 8.278 9.894 -15.207 681 HA ASP 83 HA ASP 83 11.055 10.462 -15.590 682 HB2 ASP 83 HB2 ASP 83 9.232 10.120 -17.389 683 HB3 ASP 83 HB1 ASP 83 8.635 11.726 -16.990 684 HA PRO 84 HA PRO 84 11.088 14.360 -13.171 685 HB2 PRO 84 HB2 PRO 84 13.336 15.557 -14.167 686 HB3 PRO 84 HB1 PRO 84 13.408 14.124 -13.128 687 HG2 PRO 84 HG2 PRO 84 13.515 14.270 -16.149 688 HG3 PRO 84 HG1 PRO 84 14.603 13.408 -15.037 689 HD2 PRO 84 HD2 PRO 84 12.604 12.120 -16.307 690 HD3 PRO 84 HD1 PRO 84 13.054 11.696 -14.639 691 H LEU 85 HN LEU 85 10.221 14.182 -16.369 692 HA LEU 85 HA LEU 85 8.976 15.400 -17.764 693 HB2 LEU 85 HB2 LEU 85 8.572 17.328 -15.448 694 HB3 LEU 85 HB1 LEU 85 7.627 17.284 -16.924 695 HG LEU 85 HG LEU 85 7.197 14.728 -16.056 696 HD11 LEU 85 HD11 LEU 85 6.797 14.673 -13.633 697 HD12 LEU 85 HD12 LEU 85 7.488 16.292 -13.474 698 HD13 LEU 85 HD13 LEU 85 8.498 14.948 -14.002 699 HD21 LEU 85 HD21 LEU 85 5.452 16.314 -16.681 700 HD22 LEU 85 HD22 LEU 85 5.606 17.128 -15.120 701 HD23 LEU 85 HD23 LEU 85 5.034 15.458 -15.200 702 H LYS 86 HN LYS 86 11.899 16.005 -17.412 703 HA LYS 86 HA LYS 86 12.319 18.807 -17.834 704 HB2 LYS 86 HB2 LYS 86 14.216 16.458 -18.278 705 HB3 LYS 86 HB1 LYS 86 14.678 18.155 -18.222 706 HG2 LYS 86 HG2 LYS 86 13.523 16.537 -15.934 707 HG3 LYS 86 HG1 LYS 86 15.205 17.047 -16.109 708 HD2 LYS 86 HD2 LYS 86 14.542 19.404 -15.877 709 HD3 LYS 86 HD1 LYS 86 12.838 18.948 -15.819 710 HE2 LYS 86 HE2 LYS 86 13.679 19.430 -13.573 711 HE3 LYS 86 HE1 LYS 86 13.233 17.729 -13.710 712 HZ1 LYS 86 HZ1 LYS 86 15.293 17.911 -12.562 713 HZ2 LYS 86 HZ2 LYS 86 15.973 18.862 -13.782 714 HZ3 LYS 86 HZ3 LYS 86 15.611 17.240 -14.079 Start of MODEL 11 1 H MET 1 HT1 MET 1 6.204 -2.603 -4.753 2 HA MET 1 HA MET 1 7.517 -0.606 -4.690 3 HB2 MET 1 HB2 MET 1 5.651 1.008 -5.095 4 HB3 MET 1 HB1 MET 1 5.387 -0.539 -5.884 5 HG2 MET 1 HG2 MET 1 3.851 -1.181 -4.032 6 HG3 MET 1 HG1 MET 1 4.058 0.427 -3.344 7 HE1 MET 1 HE1 MET 1 2.519 -1.709 -6.268 8 HE2 MET 1 HE2 MET 1 3.652 -0.694 -7.167 9 HE3 MET 1 HE3 MET 1 1.917 -0.460 -7.357 10 H SER 2 HN SER 2 8.468 0.976 -3.508 11 HA SER 2 HA SER 2 7.810 1.214 -0.639 12 HB2 SER 2 HB2 SER 2 10.075 2.223 -0.447 13 HB3 SER 2 HB1 SER 2 10.147 0.637 -1.213 14 HG SER 2 HG SER 2 10.530 1.581 -3.151 15 H LYS 3 HN LYS 3 6.670 2.638 -3.227 16 HA LYS 3 HA LYS 3 5.836 4.572 -3.948 17 HB2 LYS 3 HB2 LYS 3 5.031 5.075 -1.678 18 HB3 LYS 3 HB1 LYS 3 6.604 5.719 -1.229 19 HG2 LYS 3 HG2 LYS 3 6.332 7.566 -2.847 20 HG3 LYS 3 HG1 LYS 3 4.771 6.912 -3.343 21 HD2 LYS 3 HD2 LYS 3 5.398 7.869 -0.516 22 HD3 LYS 3 HD1 LYS 3 4.655 8.883 -1.753 23 HE2 LYS 3 HE2 LYS 3 2.871 8.085 -0.378 24 HE3 LYS 3 HE1 LYS 3 2.771 7.159 -1.870 25 HZ1 LYS 3 HZ1 LYS 3 4.036 6.198 0.639 26 HZ2 LYS 3 HZ2 LYS 3 3.794 5.299 -0.770 27 HZ3 LYS 3 HZ3 LYS 3 2.470 5.814 0.140 28 H THR 4 HN THR 4 8.727 5.411 -2.023 29 HA THR 4 HA THR 4 10.679 6.437 -2.429 30 HB THR 4 HB THR 4 10.104 6.012 -5.402 31 HG1 THR 4 HG1 THR 4 10.456 4.180 -3.632 32 HG21 THR 4 HG21 THR 4 11.877 7.704 -5.013 33 HG22 THR 4 HG22 THR 4 12.539 6.227 -5.714 34 HG23 THR 4 HG23 THR 4 12.747 6.557 -3.992 35 H ALA 5 HN ALA 5 10.795 8.544 -1.955 36 HA ALA 5 HA ALA 5 8.987 10.541 -2.921 37 HB1 ALA 5 HB1 ALA 5 10.402 12.121 -1.637 38 HB2 ALA 5 HB2 ALA 5 11.608 10.854 -1.400 39 HB3 ALA 5 HB3 ALA 5 10.006 10.690 -0.682 40 H LYS 6 HN LYS 6 9.243 10.225 -5.178 41 HA LYS 6 HA LYS 6 11.746 11.100 -6.496 42 HB2 LYS 6 HB2 LYS 6 10.857 8.722 -6.841 43 HB3 LYS 6 HB1 LYS 6 9.430 9.420 -7.594 44 HG2 LYS 6 HG2 LYS 6 10.764 10.301 -9.434 45 HG3 LYS 6 HG1 LYS 6 12.260 9.790 -8.647 46 HD2 LYS 6 HD2 LYS 6 10.069 7.932 -9.680 47 HD3 LYS 6 HD1 LYS 6 11.612 8.245 -10.481 48 HE2 LYS 6 HE2 LYS 6 12.813 7.261 -8.553 49 HE3 LYS 6 HE1 LYS 6 11.277 6.950 -7.744 50 HZ1 LYS 6 HZ1 LYS 6 10.688 5.515 -9.637 51 HZ2 LYS 6 HZ2 LYS 6 12.026 4.967 -8.773 52 HZ3 LYS 6 HZ3 LYS 6 12.242 5.729 -10.265 53 H LEU 7 HN LEU 7 10.468 13.129 -5.525 54 HA LEU 7 HA LEU 7 9.076 14.551 -7.641 55 HB2 LEU 7 HB2 LEU 7 7.370 13.072 -6.380 56 HB3 LEU 7 HB1 LEU 7 7.670 14.059 -4.967 57 HG LEU 7 HG LEU 7 6.584 15.222 -7.570 58 HD11 LEU 7 HD11 LEU 7 4.318 15.073 -6.635 59 HD12 LEU 7 HD12 LEU 7 4.938 14.201 -5.228 60 HD13 LEU 7 HD13 LEU 7 5.030 13.473 -6.833 61 HD21 LEU 7 HD21 LEU 7 5.758 17.061 -6.160 62 HD22 LEU 7 HD22 LEU 7 7.505 16.895 -6.014 63 HD23 LEU 7 HD23 LEU 7 6.457 16.295 -4.728 64 H ASN 8 HN ASN 8 9.987 16.543 -7.554 65 HA ASN 8 HA ASN 8 10.740 17.771 -4.981 66 HB2 ASN 8 HB2 ASN 8 12.793 16.674 -5.778 67 HB3 ASN 8 HB1 ASN 8 12.626 17.437 -7.357 68 HD21 ASN 8 HD21 ASN 8 13.325 18.025 -3.951 69 HD22 ASN 8 HD22 ASN 8 14.136 19.531 -4.188 70 H ASN 9 HN ASN 9 11.181 18.527 -8.465 71 HA ASN 9 HA ASN 9 10.364 21.263 -8.184 72 HB2 ASN 9 HB2 ASN 9 10.812 19.548 -10.671 73 HB3 ASN 9 HB1 ASN 9 10.506 21.281 -10.707 74 HD21 ASN 9 HD21 ASN 9 12.125 22.706 -9.977 75 HD22 ASN 9 HD22 ASN 9 13.769 22.200 -9.808 76 H GLU 10 HN GLU 10 8.337 21.086 -7.219 77 HA GLU 10 HA GLU 10 6.226 19.413 -7.982 78 HB2 GLU 10 HB2 GLU 10 6.494 20.484 -5.770 79 HB3 GLU 10 HB1 GLU 10 6.177 22.060 -6.487 80 HG2 GLU 10 HG2 GLU 10 3.882 21.444 -6.971 81 HG3 GLU 10 HG1 GLU 10 4.177 19.783 -6.441 82 H GLU 11 HN GLU 11 7.014 22.724 -8.890 83 HA GLU 11 HA GLU 11 4.761 23.604 -10.217 84 HB2 GLU 11 HB2 GLU 11 7.713 24.155 -10.660 85 HB3 GLU 11 HB1 GLU 11 6.496 24.948 -11.648 86 HG2 GLU 11 HG2 GLU 11 7.262 26.358 -9.783 87 HG3 GLU 11 HG1 GLU 11 5.533 26.031 -9.728 88 H LYS 12 HN LYS 12 7.378 21.599 -11.493 89 HA LYS 12 HA LYS 12 6.676 21.303 -14.176 90 HB2 LYS 12 HB2 LYS 12 7.906 19.307 -12.229 91 HB3 LYS 12 HB1 LYS 12 7.759 18.974 -13.950 92 HG2 LYS 12 HG2 LYS 12 9.319 21.311 -12.784 93 HG3 LYS 12 HG1 LYS 12 10.031 19.758 -13.244 94 HD2 LYS 12 HD2 LYS 12 8.570 21.662 -15.123 95 HD3 LYS 12 HD1 LYS 12 10.324 21.482 -15.013 96 HE2 LYS 12 HE2 LYS 12 10.190 19.190 -15.830 97 HE3 LYS 12 HE1 LYS 12 8.428 19.222 -15.767 98 HZ1 LYS 12 HZ1 LYS 12 10.136 20.847 -17.554 99 HZ2 LYS 12 HZ2 LYS 12 8.451 20.942 -17.464 100 HZ3 LYS 12 HZ3 LYS 12 9.190 19.517 -17.996 101 H LEU 13 HN LEU 13 5.608 19.381 -11.395 102 HA LEU 13 HA LEU 13 3.991 17.562 -12.873 103 HB2 LEU 13 HB2 LEU 13 4.093 18.160 -9.903 104 HB3 LEU 13 HB1 LEU 13 3.149 16.866 -10.621 105 HG LEU 13 HG LEU 13 5.543 16.183 -11.644 106 HD11 LEU 13 HD11 LEU 13 6.358 17.521 -9.065 107 HD12 LEU 13 HD12 LEU 13 6.796 18.032 -10.696 108 HD13 LEU 13 HD13 LEU 13 7.375 16.487 -10.078 109 HD21 LEU 13 HD21 LEU 13 5.831 14.558 -9.854 110 HD22 LEU 13 HD22 LEU 13 4.141 14.697 -10.332 111 HD23 LEU 13 HD23 LEU 13 4.698 15.458 -8.840 112 H VAL 14 HN VAL 14 3.363 20.526 -11.116 113 HA VAL 14 HA VAL 14 0.549 20.508 -11.143 114 HB VAL 14 HB VAL 14 2.458 22.896 -11.153 115 HG11 VAL 14 HG11 VAL 14 -0.485 22.797 -10.355 116 HG12 VAL 14 HG12 VAL 14 0.178 23.623 -11.768 117 HG13 VAL 14 HG13 VAL 14 0.586 24.187 -10.147 118 HG21 VAL 14 HG21 VAL 14 1.158 21.446 -8.815 119 HG22 VAL 14 HG22 VAL 14 2.198 22.869 -8.705 120 HG23 VAL 14 HG23 VAL 14 2.856 21.342 -9.281 121 H LYS 15 HN LYS 15 2.929 21.891 -13.416 122 HA LYS 15 HA LYS 15 1.158 23.038 -15.267 123 HB2 LYS 15 HB2 LYS 15 3.994 22.006 -15.587 124 HB3 LYS 15 HB1 LYS 15 3.133 22.853 -16.871 125 HG2 LYS 15 HG2 LYS 15 2.944 24.848 -15.408 126 HG3 LYS 15 HG1 LYS 15 3.832 23.999 -14.145 127 HD2 LYS 15 HD2 LYS 15 5.328 25.508 -15.387 128 HD3 LYS 15 HD1 LYS 15 5.806 23.824 -15.619 129 HE2 LYS 15 HE2 LYS 15 4.580 23.852 -17.828 130 HE3 LYS 15 HE1 LYS 15 4.286 25.576 -17.589 131 HZ1 LYS 15 HZ1 LYS 15 6.687 25.913 -17.537 132 HZ2 LYS 15 HZ2 LYS 15 6.181 25.217 -18.992 133 HZ3 LYS 15 HZ3 LYS 15 6.932 24.264 -17.819 134 H LYS 16 HN LYS 16 2.639 19.792 -15.184 135 HA LYS 16 HA LYS 16 1.501 18.870 -17.636 136 HB2 LYS 16 HB2 LYS 16 3.498 17.857 -16.547 137 HB3 LYS 16 HB1 LYS 16 2.476 17.263 -15.249 138 HG2 LYS 16 HG2 LYS 16 2.980 15.449 -16.767 139 HG3 LYS 16 HG1 LYS 16 1.259 15.826 -16.874 140 HD2 LYS 16 HD2 LYS 16 1.672 17.094 -18.965 141 HD3 LYS 16 HD1 LYS 16 3.395 16.722 -18.850 142 HE2 LYS 16 HE2 LYS 16 2.894 14.316 -19.078 143 HE3 LYS 16 HE1 LYS 16 1.167 14.680 -19.167 144 HZ1 LYS 16 HZ1 LYS 16 1.646 16.000 -21.167 145 HZ2 LYS 16 HZ2 LYS 16 2.021 14.365 -21.352 146 HZ3 LYS 16 HZ3 LYS 16 3.257 15.494 -21.107 147 H ALA 17 HN ALA 17 0.363 18.968 -14.321 148 HA ALA 17 HA ALA 17 -1.993 17.367 -14.721 149 HB1 ALA 17 HB1 ALA 17 -1.363 19.366 -12.527 150 HB2 ALA 17 HB2 ALA 17 -1.001 17.641 -12.490 151 HB3 ALA 17 HB3 ALA 17 -2.679 18.186 -12.509 152 H LEU 18 HN LEU 18 -1.169 20.782 -15.110 153 HA LEU 18 HA LEU 18 -3.804 21.791 -15.519 154 HB2 LEU 18 HB2 LEU 18 -1.199 22.845 -16.704 155 HB3 LEU 18 HB1 LEU 18 -2.730 23.709 -16.664 156 HG LEU 18 HG LEU 18 -1.022 22.982 -14.255 157 HD11 LEU 18 HD11 LEU 18 -0.053 24.801 -15.563 158 HD12 LEU 18 HD12 LEU 18 -0.630 25.372 -13.999 159 HD13 LEU 18 HD13 LEU 18 -1.568 25.705 -15.460 160 HD21 LEU 18 HD21 LEU 18 -3.374 22.883 -13.641 161 HD22 LEU 18 HD22 LEU 18 -3.645 24.493 -14.315 162 HD23 LEU 18 HD23 LEU 18 -2.601 24.283 -12.906 163 H GLU 19 HN GLU 19 -1.348 20.344 -17.612 164 HA GLU 19 HA GLU 19 -2.698 20.647 -20.087 165 HB2 GLU 19 HB2 GLU 19 -0.608 18.597 -19.246 166 HB3 GLU 19 HB1 GLU 19 -1.138 18.859 -20.911 167 HG2 GLU 19 HG2 GLU 19 -0.283 21.176 -20.813 168 HG3 GLU 19 HG1 GLU 19 0.241 20.913 -19.148 169 H ILE 20 HN ILE 20 -2.336 17.716 -18.055 170 HA ILE 20 HA ILE 20 -4.090 16.126 -19.613 171 HB ILE 20 HB ILE 20 -3.133 15.632 -16.760 172 HG12 ILE 20 HG12 ILE 20 -1.219 15.877 -18.319 173 HG13 ILE 20 HG11 ILE 20 -1.360 14.210 -17.777 174 HG21 ILE 20 HG21 ILE 20 -3.614 13.230 -17.205 175 HG22 ILE 20 HG22 ILE 20 -4.310 13.671 -18.767 176 HG23 ILE 20 HG23 ILE 20 -5.071 14.224 -17.275 177 HD11 ILE 20 HD11 ILE 20 -2.252 15.279 -20.455 178 HD12 ILE 20 HD12 ILE 20 -2.385 13.602 -19.913 179 HD13 ILE 20 HD13 ILE 20 -0.798 14.339 -20.123 180 H GLY 21 HN GLY 21 -4.527 17.679 -16.419 181 HA2 GLY 21 HA2 GLY 21 -7.239 16.968 -16.034 182 HA3 GLY 21 HA1 GLY 21 -6.395 18.283 -15.229 183 H GLY 22 HN GLY 22 -5.706 19.758 -17.618 184 HA2 GLY 22 HA2 GLY 22 -8.018 21.350 -18.001 185 HA3 GLY 22 HA1 GLY 22 -6.526 21.460 -18.916 186 H LYS 23 HN LYS 23 -6.408 19.001 -20.160 187 HA LYS 23 HA LYS 23 -8.260 19.423 -22.314 188 HB2 LYS 23 HB2 LYS 23 -7.070 17.638 -23.508 189 HB3 LYS 23 HB1 LYS 23 -5.960 18.813 -22.840 190 HG2 LYS 23 HG2 LYS 23 -4.804 16.898 -22.326 191 HG3 LYS 23 HG1 LYS 23 -5.767 17.054 -20.860 192 HD2 LYS 23 HD2 LYS 23 -7.394 15.410 -21.777 193 HD3 LYS 23 HD1 LYS 23 -6.389 15.238 -23.222 194 HE2 LYS 23 HE2 LYS 23 -4.522 14.423 -21.772 195 HE3 LYS 23 HE1 LYS 23 -5.588 14.545 -20.371 196 HZ1 LYS 23 HZ1 LYS 23 -5.494 12.308 -21.183 197 HZ2 LYS 23 HZ2 LYS 23 -5.984 12.796 -22.724 198 HZ3 LYS 23 HZ3 LYS 23 -7.048 12.928 -21.421 199 H MET 24 HN MET 24 -7.982 17.091 -19.676 200 HA MET 24 HA MET 24 -9.985 15.288 -20.581 201 HB2 MET 24 HB2 MET 24 -8.864 15.848 -17.825 202 HB3 MET 24 HB1 MET 24 -10.223 14.747 -18.030 203 HG2 MET 24 HG2 MET 24 -8.687 13.510 -19.713 204 HG3 MET 24 HG1 MET 24 -7.382 14.428 -18.966 205 HE1 MET 24 HE1 MET 24 -9.062 14.404 -15.900 206 HE2 MET 24 HE2 MET 24 -7.307 14.475 -16.097 207 HE3 MET 24 HE3 MET 24 -8.037 13.184 -15.142 208 H ALA 25 HN ALA 25 -10.131 18.078 -18.342 209 HA ALA 25 HA ALA 25 -12.875 18.131 -17.836 210 HB1 ALA 25 HB1 ALA 25 -10.984 20.499 -18.062 211 HB2 ALA 25 HB2 ALA 25 -11.264 19.528 -16.615 212 HB3 ALA 25 HB3 ALA 25 -12.568 20.516 -17.279 213 H LYS 26 HN LYS 26 -11.011 19.643 -20.406 214 HA LYS 26 HA LYS 26 -12.950 21.050 -21.775 215 HB2 LYS 26 HB2 LYS 26 -10.482 21.153 -22.143 216 HB3 LYS 26 HB1 LYS 26 -10.545 19.591 -22.949 217 HG2 LYS 26 HG2 LYS 26 -11.903 20.539 -24.749 218 HG3 LYS 26 HG1 LYS 26 -11.964 22.099 -23.921 219 HD2 LYS 26 HD2 LYS 26 -9.448 20.753 -25.013 220 HD3 LYS 26 HD1 LYS 26 -10.299 22.108 -25.760 221 HE2 LYS 26 HE2 LYS 26 -9.793 23.504 -23.765 222 HE3 LYS 26 HE1 LYS 26 -8.915 22.148 -23.049 223 HZ1 LYS 26 HZ1 LYS 26 -8.220 23.533 -25.583 224 HZ2 LYS 26 HZ2 LYS 26 -7.383 22.224 -24.920 225 HZ3 LYS 26 HZ3 LYS 26 -7.420 23.701 -24.104 226 H MET 27 HN MET 27 -11.828 17.722 -22.419 227 HA MET 27 HA MET 27 -13.691 17.018 -24.418 228 HB2 MET 27 HB2 MET 27 -12.103 15.270 -22.508 229 HB3 MET 27 HB1 MET 27 -13.041 14.631 -23.854 230 HG2 MET 27 HG2 MET 27 -11.627 15.945 -25.423 231 HG3 MET 27 HG1 MET 27 -10.650 16.479 -24.056 232 HE1 MET 27 HE1 MET 27 -10.661 13.663 -22.311 233 HE2 MET 27 HE2 MET 27 -9.269 14.733 -22.495 234 HE3 MET 27 HE3 MET 27 -9.116 13.016 -22.866 235 H GLN 28 HN GLN 28 -13.874 16.750 -20.891 236 HA GLN 28 HA GLN 28 -16.231 15.166 -20.690 237 HB2 GLN 28 HB2 GLN 28 -14.944 17.139 -18.755 238 HB3 GLN 28 HB1 GLN 28 -16.370 16.192 -18.334 239 HG2 GLN 28 HG2 GLN 28 -13.669 15.040 -19.104 240 HG3 GLN 28 HG1 GLN 28 -14.236 15.235 -17.448 241 HE21 GLN 28 HE21 GLN 28 -15.921 13.896 -16.710 242 HE22 GLN 28 HE22 GLN 28 -16.329 12.417 -17.500 243 H GLY 29 HN GLY 29 -15.631 18.565 -21.207 244 HA2 GLY 29 HA2 GLY 29 -17.326 19.586 -22.719 245 HA3 GLY 29 HA1 GLY 29 -18.549 19.065 -21.560 246 H PHE 30 HN PHE 30 -15.338 20.563 -21.179 247 HA PHE 30 HA PHE 30 -16.568 22.907 -19.828 248 HB2 PHE 30 HB2 PHE 30 -14.304 21.222 -18.645 249 HB3 PHE 30 HB1 PHE 30 -14.824 22.774 -18.013 250 HD1 PHE 30 HD2 PHE 30 -17.188 22.988 -17.070 251 HD2 PHE 30 HD1 PHE 30 -15.395 19.204 -17.953 252 HE1 PHE 30 HE2 PHE 30 -18.804 21.867 -15.591 253 HE2 PHE 30 HE1 PHE 30 -17.016 18.094 -16.473 254 HZ PHE 30 HZ PHE 30 -18.719 19.424 -15.290 255 H ASP 31 HN ASP 31 -14.704 24.482 -19.218 256 HA ASP 31 HA ASP 31 -12.208 24.215 -20.637 257 HB2 ASP 31 HB2 ASP 31 -13.736 25.448 -22.276 258 HB3 ASP 31 HB1 ASP 31 -13.872 26.746 -21.089 259 H LEU 32 HN LEU 32 -10.811 24.554 -19.017 260 HA LEU 32 HA LEU 32 -11.604 25.881 -16.582 261 HB2 LEU 32 HB2 LEU 32 -8.938 24.641 -17.377 262 HB3 LEU 32 HB1 LEU 32 -9.384 25.155 -15.751 263 HG LEU 32 HG LEU 32 -10.718 22.903 -17.326 264 HD11 LEU 32 HD11 LEU 32 -8.471 22.306 -16.527 265 HD12 LEU 32 HD12 LEU 32 -9.728 21.380 -15.710 266 HD13 LEU 32 HD13 LEU 32 -8.943 22.727 -14.879 267 HD21 LEU 32 HD21 LEU 32 -12.361 24.021 -15.882 268 HD22 LEU 32 HD22 LEU 32 -11.290 23.848 -14.489 269 HD23 LEU 32 HD23 LEU 32 -11.982 22.416 -15.260 270 HA PRO 33 HA PRO 33 -10.861 30.046 -17.860 271 HB2 PRO 33 HB2 PRO 33 -9.743 30.304 -15.047 272 HB3 PRO 33 HB1 PRO 33 -10.845 31.390 -15.916 273 HG2 PRO 33 HG2 PRO 33 -11.834 29.683 -14.151 274 HG3 PRO 33 HG1 PRO 33 -12.667 29.909 -15.707 275 HD2 PRO 33 HD2 PRO 33 -10.944 27.625 -14.786 276 HD3 PRO 33 HD1 PRO 33 -12.378 27.606 -15.835 277 H GLN 34 HN GLN 34 -9.321 30.602 -19.216 278 HA GLN 34 HA GLN 34 -6.620 29.815 -19.202 279 HB2 GLN 34 HB2 GLN 34 -8.059 30.493 -21.205 280 HB3 GLN 34 HB1 GLN 34 -7.832 32.168 -20.728 281 HG2 GLN 34 HG2 GLN 34 -6.295 31.709 -22.479 282 HG3 GLN 34 HG1 GLN 34 -5.353 31.835 -20.998 283 HE21 GLN 34 HE21 GLN 34 -6.560 29.640 -23.453 284 HE22 GLN 34 HE22 GLN 34 -5.512 28.320 -23.065 285 H SER 35 HN SER 35 -8.221 32.484 -17.746 286 HA SER 35 HA SER 35 -6.615 34.504 -17.122 287 HB2 SER 35 HB2 SER 35 -8.156 32.868 -15.056 288 HB3 SER 35 HB1 SER 35 -7.762 34.583 -14.939 289 HG SER 35 HG SER 35 -9.940 34.002 -15.704 290 HA PRO 36 HA PRO 36 -2.636 34.416 -15.743 291 HB2 PRO 36 HB2 PRO 36 -3.154 34.128 -12.799 292 HB3 PRO 36 HB1 PRO 36 -2.099 35.259 -13.653 293 HG2 PRO 36 HG2 PRO 36 -4.732 35.767 -12.741 294 HG3 PRO 36 HG1 PRO 36 -3.784 36.794 -13.825 295 HD2 PRO 36 HD2 PRO 36 -6.157 35.410 -14.497 296 HD3 PRO 36 HD1 PRO 36 -5.032 36.166 -15.648 297 H GLN 37 HN GLN 37 -2.694 32.550 -12.793 298 HA GLN 37 HA GLN 37 -2.107 30.038 -14.180 299 HB2 GLN 37 HB2 GLN 37 -0.087 31.239 -12.231 300 HB3 GLN 37 HB1 GLN 37 0.027 29.654 -12.991 301 HG2 GLN 37 HG2 GLN 37 0.171 30.798 -15.212 302 HG3 GLN 37 HG1 GLN 37 0.184 32.349 -14.373 303 HE21 GLN 37 HE21 GLN 37 2.233 31.319 -16.107 304 HE22 GLN 37 HE22 GLN 37 3.677 31.200 -15.163 305 HA PRO 38 HA PRO 38 -2.556 28.923 -9.427 306 HB2 PRO 38 HB2 PRO 38 -3.570 30.821 -7.691 307 HB3 PRO 38 HB1 PRO 38 -1.840 30.572 -7.967 308 HG2 PRO 38 HG2 PRO 38 -3.680 32.613 -9.229 309 HG3 PRO 38 HG1 PRO 38 -2.070 32.857 -8.512 310 HD2 PRO 38 HD2 PRO 38 -2.369 32.662 -11.174 311 HD3 PRO 38 HD1 PRO 38 -0.965 31.923 -10.373 312 H VAL 39 HN VAL 39 -4.809 31.093 -10.944 313 HA VAL 39 HA VAL 39 -7.238 30.076 -9.851 314 HB VAL 39 HB VAL 39 -8.322 31.302 -11.785 315 HG11 VAL 39 HG11 VAL 39 -7.892 32.484 -9.659 316 HG12 VAL 39 HG12 VAL 39 -7.703 33.579 -11.030 317 HG13 VAL 39 HG13 VAL 39 -6.275 32.929 -10.218 318 HG21 VAL 39 HG21 VAL 39 -6.556 31.000 -13.474 319 HG22 VAL 39 HG22 VAL 39 -5.463 32.021 -12.535 320 HG23 VAL 39 HG23 VAL 39 -6.922 32.712 -13.250 321 H ARG 40 HN ARG 40 -5.237 29.242 -12.647 322 HA ARG 40 HA ARG 40 -7.078 27.343 -13.800 323 HB2 ARG 40 HB2 ARG 40 -4.068 27.353 -14.262 324 HB3 ARG 40 HB1 ARG 40 -5.331 26.741 -15.330 325 HG2 ARG 40 HG2 ARG 40 -6.076 29.294 -15.356 326 HG3 ARG 40 HG1 ARG 40 -4.408 29.566 -14.847 327 HD2 ARG 40 HD2 ARG 40 -4.482 29.761 -17.239 328 HD3 ARG 40 HD1 ARG 40 -3.667 28.232 -16.872 329 HE ARG 40 HE ARG 40 -6.558 28.218 -17.415 330 HH11 ARG 40 HH11 ARG 40 -3.357 27.351 -18.547 331 HH12 ARG 40 HH12 ARG 40 -3.959 26.346 -19.819 332 HH21 ARG 40 HH21 ARG 40 -7.326 26.931 -19.084 333 HH22 ARG 40 HH22 ARG 40 -6.207 26.113 -20.130 334 H VAL 41 HN VAL 41 -4.238 27.215 -11.712 335 HA VAL 41 HA VAL 41 -3.859 24.476 -11.367 336 HB VAL 41 HB VAL 41 -3.388 26.778 -9.402 337 HG11 VAL 41 HG11 VAL 41 -2.195 23.981 -9.294 338 HG12 VAL 41 HG12 VAL 41 -3.368 24.652 -8.166 339 HG13 VAL 41 HG13 VAL 41 -1.747 25.331 -8.247 340 HG21 VAL 41 HG21 VAL 41 -2.190 27.047 -11.538 341 HG22 VAL 41 HG22 VAL 41 -1.481 25.443 -11.367 342 HG23 VAL 41 HG23 VAL 41 -1.046 26.724 -10.231 343 H LYS 42 HN LYS 42 -5.910 26.718 -9.590 344 HA LYS 42 HA LYS 42 -7.002 24.829 -7.739 345 HB2 LYS 42 HB2 LYS 42 -6.686 27.407 -7.512 346 HB3 LYS 42 HB1 LYS 42 -8.173 27.556 -8.430 347 HG2 LYS 42 HG2 LYS 42 -7.980 26.032 -5.806 348 HG3 LYS 42 HG1 LYS 42 -8.345 27.755 -5.886 349 HD2 LYS 42 HD2 LYS 42 -10.025 25.459 -6.975 350 HD3 LYS 42 HD1 LYS 42 -10.420 26.529 -5.625 351 HE2 LYS 42 HE2 LYS 42 -10.222 27.324 -8.557 352 HE3 LYS 42 HE1 LYS 42 -11.700 27.157 -7.616 353 HZ1 LYS 42 HZ1 LYS 42 -10.993 28.989 -6.227 354 HZ2 LYS 42 HZ2 LYS 42 -11.048 29.458 -7.853 355 HZ3 LYS 42 HZ3 LYS 42 -9.562 29.142 -7.113 356 H ALA 43 HN ALA 43 -8.114 26.256 -10.831 357 HA ALA 43 HA ALA 43 -10.696 25.146 -10.966 358 HB1 ALA 43 HB1 ALA 43 -10.557 25.512 -13.396 359 HB2 ALA 43 HB2 ALA 43 -8.806 25.708 -13.279 360 HB3 ALA 43 HB3 ALA 43 -9.878 26.884 -12.515 361 H VAL 44 HN VAL 44 -7.612 23.792 -12.121 362 HA VAL 44 HA VAL 44 -8.548 21.374 -13.214 363 HB VAL 44 HB VAL 44 -5.801 22.079 -12.066 364 HG11 VAL 44 HG11 VAL 44 -6.065 19.622 -12.018 365 HG12 VAL 44 HG12 VAL 44 -4.913 20.094 -13.266 366 HG13 VAL 44 HG13 VAL 44 -6.557 19.626 -13.713 367 HG21 VAL 44 HG21 VAL 44 -6.467 23.395 -14.055 368 HG22 VAL 44 HG22 VAL 44 -6.762 21.905 -14.952 369 HG23 VAL 44 HG23 VAL 44 -5.128 22.311 -14.431 370 H TYR 45 HN TYR 45 -7.300 22.190 -9.989 371 HA TYR 45 HA TYR 45 -7.469 19.762 -8.678 372 HB2 TYR 45 HB2 TYR 45 -6.460 21.568 -7.532 373 HB3 TYR 45 HB1 TYR 45 -7.846 22.621 -7.758 374 HD1 TYR 45 HD2 TYR 45 -6.549 19.734 -5.762 375 HD2 TYR 45 HD1 TYR 45 -9.659 22.642 -6.183 376 HE1 TYR 45 HE2 TYR 45 -7.396 19.173 -3.511 377 HE2 TYR 45 HE1 TYR 45 -10.495 22.077 -3.959 378 HH TYR 45 HH TYR 45 -10.451 20.213 -2.433 379 H LEU 46 HN LEU 46 -10.081 22.229 -8.925 380 HA LEU 46 HA LEU 46 -12.049 20.868 -7.449 381 HB2 LEU 46 HB2 LEU 46 -12.380 22.899 -9.687 382 HB3 LEU 46 HB1 LEU 46 -13.716 22.316 -8.702 383 HG LEU 46 HG LEU 46 -11.343 23.966 -7.744 384 HD11 LEU 46 HD11 LEU 46 -13.040 25.676 -7.262 385 HD12 LEU 46 HD12 LEU 46 -14.299 24.632 -7.930 386 HD13 LEU 46 HD13 LEU 46 -13.016 25.254 -8.973 387 HD21 LEU 46 HD21 LEU 46 -12.420 23.980 -5.522 388 HD22 LEU 46 HD22 LEU 46 -11.933 22.355 -5.992 389 HD23 LEU 46 HD23 LEU 46 -13.631 22.827 -6.092 390 H PHE 47 HN PHE 47 -11.378 20.892 -10.930 391 HA PHE 47 HA PHE 47 -13.409 19.189 -11.827 392 HB2 PHE 47 HB2 PHE 47 -12.210 20.325 -13.531 393 HB3 PHE 47 HB1 PHE 47 -10.641 19.875 -12.869 394 HD1 PHE 47 HD2 PHE 47 -13.702 18.247 -14.363 395 HD2 PHE 47 HD1 PHE 47 -9.444 18.183 -13.965 396 HE1 PHE 47 HE2 PHE 47 -13.584 16.308 -15.873 397 HE2 PHE 47 HE1 PHE 47 -9.336 16.251 -15.468 398 HZ PHE 47 HZ PHE 47 -11.404 15.305 -16.424 399 H LEU 48 HN LEU 48 -10.117 18.383 -10.694 400 HA LEU 48 HA LEU 48 -10.281 15.603 -11.189 401 HB2 LEU 48 HB2 LEU 48 -8.421 17.167 -9.379 402 HB3 LEU 48 HB1 LEU 48 -8.229 15.457 -9.735 403 HG LEU 48 HG LEU 48 -8.019 17.738 -11.746 404 HD11 LEU 48 HD11 LEU 48 -5.880 15.903 -10.632 405 HD12 LEU 48 HD12 LEU 48 -6.103 17.611 -10.245 406 HD13 LEU 48 HD13 LEU 48 -5.652 17.136 -11.879 407 HD21 LEU 48 HD21 LEU 48 -7.664 14.759 -12.222 408 HD22 LEU 48 HD22 LEU 48 -7.336 16.042 -13.388 409 HD23 LEU 48 HD23 LEU 48 -8.982 15.765 -12.832 410 H VAL 49 HN VAL 49 -10.952 17.500 -8.233 411 HA VAL 49 HA VAL 49 -11.290 15.261 -6.486 412 HB VAL 49 HB VAL 49 -12.488 18.060 -6.171 413 HG11 VAL 49 HG11 VAL 49 -12.672 17.503 -3.755 414 HG12 VAL 49 HG12 VAL 49 -12.078 15.872 -4.082 415 HG13 VAL 49 HG13 VAL 49 -13.630 16.395 -4.739 416 HG21 VAL 49 HG21 VAL 49 -10.569 18.533 -4.680 417 HG22 VAL 49 HG22 VAL 49 -10.028 18.154 -6.314 418 HG23 VAL 49 HG23 VAL 49 -9.891 16.941 -5.041 419 H ASP 50 HN ASP 50 -13.503 17.263 -8.409 420 HA ASP 50 HA ASP 50 -15.959 16.049 -7.735 421 HB2 ASP 50 HB2 ASP 50 -15.677 18.246 -8.929 422 HB3 ASP 50 HB1 ASP 50 -15.167 17.382 -10.367 423 H ALA 51 HN ALA 51 -13.521 15.253 -10.148 424 HA ALA 51 HA ALA 51 -15.030 13.041 -11.322 425 HB1 ALA 51 HB1 ALA 51 -13.721 14.568 -12.769 426 HB2 ALA 51 HB2 ALA 51 -13.140 12.904 -12.896 427 HB3 ALA 51 HB3 ALA 51 -12.239 14.087 -11.940 428 H LYS 52 HN LYS 52 -13.435 13.318 -8.500 429 HA LYS 52 HA LYS 52 -12.678 11.890 -6.930 430 HB2 LYS 52 HB2 LYS 52 -13.799 9.806 -8.832 431 HB3 LYS 52 HB1 LYS 52 -13.195 9.405 -7.230 432 HG2 LYS 52 HG2 LYS 52 -15.420 11.437 -7.597 433 HG3 LYS 52 HG1 LYS 52 -15.753 9.708 -7.575 434 HD2 LYS 52 HD2 LYS 52 -16.140 10.385 -5.346 435 HD3 LYS 52 HD1 LYS 52 -14.538 9.660 -5.285 436 HE2 LYS 52 HE2 LYS 52 -14.551 11.685 -3.952 437 HE3 LYS 52 HE1 LYS 52 -13.556 11.965 -5.377 438 HZ1 LYS 52 HZ1 LYS 52 -15.463 13.090 -6.397 439 HZ2 LYS 52 HZ2 LYS 52 -14.953 13.840 -4.973 440 HZ3 LYS 52 HZ3 LYS 52 -16.342 12.880 -4.969 441 H GLN 53 HN GLN 53 -10.986 12.543 -9.394 442 HA GLN 53 HA GLN 53 -8.982 10.565 -9.685 443 HB2 GLN 53 HB2 GLN 53 -8.916 13.575 -10.159 444 HB3 GLN 53 HB1 GLN 53 -7.658 12.463 -10.683 445 HG2 GLN 53 HG2 GLN 53 -10.544 12.370 -11.615 446 HG3 GLN 53 HG1 GLN 53 -9.222 13.130 -12.500 447 HE21 GLN 53 HE21 GLN 53 -10.972 10.885 -13.266 448 HE22 GLN 53 HE22 GLN 53 -9.916 9.568 -13.633 449 H ILE 54 HN ILE 54 -9.416 13.314 -7.498 450 HA ILE 54 HA ILE 54 -7.312 12.258 -5.710 451 HB ILE 54 HB ILE 54 -6.685 14.648 -5.075 452 HG12 ILE 54 HG12 ILE 54 -8.170 15.349 -7.650 453 HG13 ILE 54 HG11 ILE 54 -8.655 15.809 -6.026 454 HG21 ILE 54 HG21 ILE 54 -5.107 14.983 -6.928 455 HG22 ILE 54 HG22 ILE 54 -6.007 13.825 -7.909 456 HG23 ILE 54 HG23 ILE 54 -5.188 13.289 -6.441 457 HD11 ILE 54 HD11 ILE 54 -6.177 16.745 -7.468 458 HD12 ILE 54 HD12 ILE 54 -6.654 17.209 -5.832 459 HD13 ILE 54 HD13 ILE 54 -7.658 17.666 -7.209 460 H ALA 55 HN ALA 55 -7.474 13.246 -3.529 461 HA ALA 55 HA ALA 55 -10.207 13.394 -2.524 462 HB1 ALA 55 HB1 ALA 55 -8.546 11.989 -1.343 463 HB2 ALA 55 HB2 ALA 55 -9.109 13.293 -0.298 464 HB3 ALA 55 HB3 ALA 55 -7.523 13.401 -1.068 465 HA PRO 56 HA PRO 56 -9.968 17.912 -2.068 466 HB2 PRO 56 HB2 PRO 56 -11.727 18.391 -0.053 467 HB3 PRO 56 HB1 PRO 56 -12.265 17.830 -1.644 468 HG2 PRO 56 HG2 PRO 56 -11.804 16.220 0.873 469 HG3 PRO 56 HG1 PRO 56 -13.195 16.178 -0.234 470 HD2 PRO 56 HD2 PRO 56 -11.171 14.350 -0.362 471 HD3 PRO 56 HD1 PRO 56 -12.066 14.870 -1.806 472 H LEU 57 HN LEU 57 -9.324 19.573 -0.578 473 HA LEU 57 HA LEU 57 -7.606 18.747 1.666 474 HB2 LEU 57 HB2 LEU 57 -7.683 21.300 0.007 475 HB3 LEU 57 HB1 LEU 57 -6.593 21.029 1.359 476 HG LEU 57 HG LEU 57 -6.573 19.300 -1.152 477 HD11 LEU 57 HD11 LEU 57 -4.839 21.715 -0.549 478 HD12 LEU 57 HD12 LEU 57 -6.072 21.597 -1.806 479 HD13 LEU 57 HD13 LEU 57 -4.625 20.597 -1.901 480 HD21 LEU 57 HD21 LEU 57 -4.338 18.615 -0.366 481 HD22 LEU 57 HD22 LEU 57 -5.567 18.236 0.837 482 HD23 LEU 57 HD23 LEU 57 -4.508 19.632 1.068 483 HA PRO 58 HA PRO 58 -10.519 20.895 4.457 484 HB2 PRO 58 HB2 PRO 58 -8.780 21.818 6.398 485 HB3 PRO 58 HB1 PRO 58 -9.299 20.128 6.292 486 HG2 PRO 58 HG2 PRO 58 -6.765 21.396 5.247 487 HG3 PRO 58 HG1 PRO 58 -6.959 19.888 6.171 488 HD2 PRO 58 HD2 PRO 58 -6.642 19.837 3.495 489 HD3 PRO 58 HD1 PRO 58 -7.737 18.692 4.304 490 H ASP 59 HN ASP 59 -11.137 23.066 4.988 491 HA ASP 59 HA ASP 59 -10.598 25.036 3.076 492 HB2 ASP 59 HB2 ASP 59 -11.775 25.385 5.866 493 HB3 ASP 59 HB1 ASP 59 -11.843 26.601 4.593 494 H SER 60 HN SER 60 -9.085 24.418 6.157 495 HA SER 60 HA SER 60 -7.661 26.791 6.627 496 HB2 SER 60 HB2 SER 60 -6.847 23.939 7.354 497 HB3 SER 60 HB1 SER 60 -6.273 25.415 8.136 498 HG SER 60 HG SER 60 -7.906 25.120 9.420 499 H LYS 61 HN LYS 61 -6.849 23.929 4.653 500 HA LYS 61 HA LYS 61 -4.237 25.107 3.895 501 HB2 LYS 61 HB2 LYS 61 -5.225 22.232 3.609 502 HB3 LYS 61 HB1 LYS 61 -3.609 22.813 3.197 503 HG2 LYS 61 HG2 LYS 61 -4.856 22.690 5.967 504 HG3 LYS 61 HG1 LYS 61 -3.548 21.673 5.348 505 HD2 LYS 61 HD2 LYS 61 -2.028 23.566 5.273 506 HD3 LYS 61 HD1 LYS 61 -3.330 24.700 5.636 507 HE2 LYS 61 HE2 LYS 61 -3.580 23.619 7.876 508 HE3 LYS 61 HE1 LYS 61 -2.177 22.611 7.507 509 HZ1 LYS 61 HZ1 LYS 61 -2.185 25.581 7.636 510 HZ2 LYS 61 HZ2 LYS 61 -0.840 24.611 7.309 511 HZ3 LYS 61 HZ3 LYS 61 -1.579 24.544 8.821 512 H LEU 62 HN LEU 62 -7.335 24.946 2.733 513 HA LEU 62 HA LEU 62 -6.898 24.343 -0.023 514 HB2 LEU 62 HB2 LEU 62 -9.149 24.449 1.419 515 HB3 LEU 62 HB1 LEU 62 -9.184 26.112 0.879 516 HG LEU 62 HG LEU 62 -10.603 24.624 -0.508 517 HD11 LEU 62 HD11 LEU 62 -9.885 25.315 -2.734 518 HD12 LEU 62 HD12 LEU 62 -8.297 25.762 -2.104 519 HD13 LEU 62 HD13 LEU 62 -9.737 26.635 -1.576 520 HD21 LEU 62 HD21 LEU 62 -9.293 22.570 -0.278 521 HD22 LEU 62 HD22 LEU 62 -8.029 23.244 -1.311 522 HD23 LEU 62 HD23 LEU 62 -9.638 22.931 -1.966 523 H ASP 63 HN ASP 63 -5.161 25.472 -0.664 524 HA ASP 63 HA ASP 63 -5.458 28.142 -1.655 525 HB2 ASP 63 HB2 ASP 63 -4.732 28.784 0.584 526 HB3 ASP 63 HB1 ASP 63 -3.458 27.570 0.584 527 H GLY 64 HN GLY 64 -3.694 28.658 -3.111 528 HA2 GLY 64 HA2 GLY 64 -3.247 26.777 -5.015 529 HA3 GLY 64 HA1 GLY 64 -2.248 28.208 -4.817 530 H ALA 65 HN ALA 65 -1.051 27.506 -2.319 531 HA ALA 65 HA ALA 65 1.232 26.081 -3.078 532 HB1 ALA 65 HB1 ALA 65 0.140 26.474 -0.267 533 HB2 ALA 65 HB2 ALA 65 1.135 27.628 -1.159 534 HB3 ALA 65 HB3 ALA 65 1.803 26.065 -0.679 535 H ASN 66 HN ASN 66 -1.550 24.944 -1.121 536 HA ASN 66 HA ASN 66 -0.534 22.218 -0.917 537 HB2 ASN 66 HB2 ASN 66 -3.188 23.430 -0.037 538 HB3 ASN 66 HB1 ASN 66 -2.672 21.793 0.336 539 HD21 ASN 66 HD21 ASN 66 -2.256 25.165 1.069 540 HD22 ASN 66 HD22 ASN 66 -1.267 24.952 2.467 541 H ILE 67 HN ILE 67 -2.786 23.974 -2.929 542 HA ILE 67 HA ILE 67 -4.254 21.867 -4.110 543 HB ILE 67 HB ILE 67 -3.410 24.556 -5.305 544 HG12 ILE 67 HG12 ILE 67 -4.830 24.793 -3.273 545 HG13 ILE 67 HG11 ILE 67 -5.663 25.373 -4.707 546 HG21 ILE 67 HG21 ILE 67 -3.991 23.054 -7.121 547 HG22 ILE 67 HG22 ILE 67 -5.265 24.258 -6.934 548 HG23 ILE 67 HG23 ILE 67 -5.502 22.619 -6.327 549 HD11 ILE 67 HD11 ILE 67 -6.962 23.312 -4.767 550 HD12 ILE 67 HD12 ILE 67 -7.149 24.176 -3.242 551 HD13 ILE 67 HD13 ILE 67 -6.126 22.741 -3.321 552 H LYS 68 HN LYS 68 -1.171 23.388 -4.913 553 HA LYS 68 HA LYS 68 -0.418 22.047 -7.223 554 HB2 LYS 68 HB2 LYS 68 1.248 23.101 -4.913 555 HB3 LYS 68 HB1 LYS 68 1.969 22.446 -6.379 556 HG2 LYS 68 HG2 LYS 68 0.833 24.208 -7.705 557 HG3 LYS 68 HG1 LYS 68 0.185 24.885 -6.207 558 HD2 LYS 68 HD2 LYS 68 2.497 25.235 -5.379 559 HD3 LYS 68 HD1 LYS 68 3.134 24.580 -6.890 560 HE2 LYS 68 HE2 LYS 68 2.046 26.446 -8.117 561 HE3 LYS 68 HE1 LYS 68 1.480 27.104 -6.576 562 HZ1 LYS 68 HZ1 LYS 68 3.750 27.387 -5.886 563 HZ2 LYS 68 HZ2 LYS 68 3.518 28.161 -7.369 564 HZ3 LYS 68 HZ3 LYS 68 4.327 26.675 -7.306 565 H HIS 69 HN HIS 69 -0.088 21.056 -3.830 566 HA HIS 69 HA HIS 69 1.593 18.821 -4.257 567 HB2 HIS 69 HB2 HIS 69 0.564 20.140 -1.992 568 HB3 HIS 69 HB1 HIS 69 -0.181 18.556 -1.884 569 HD1 HIS 69 HD1 HIS 69 1.742 19.326 0.277 570 HD2 HIS 69 HD2 HIS 69 2.999 17.461 -3.214 571 HE1 HIS 69 HE1 HIS 69 3.978 18.315 0.818 572 HE2 HIS 69 HE2 HIS 69 4.798 17.393 -1.367 573 H ARG 70 HN ARG 70 -1.927 19.166 -4.095 574 HA ARG 70 HA ARG 70 -2.663 16.459 -4.373 575 HB2 ARG 70 HB2 ARG 70 -4.052 19.069 -5.025 576 HB3 ARG 70 HB1 ARG 70 -4.786 17.548 -5.506 577 HG2 ARG 70 HG2 ARG 70 -4.111 18.371 -2.669 578 HG3 ARG 70 HG1 ARG 70 -5.722 18.322 -3.397 579 HD2 ARG 70 HD2 ARG 70 -5.362 15.839 -3.790 580 HD3 ARG 70 HD1 ARG 70 -3.884 15.969 -2.830 581 HE ARG 70 HE ARG 70 -6.555 16.661 -1.751 582 HH11 ARG 70 HH11 ARG 70 -3.481 15.003 -1.387 583 HH12 ARG 70 HH12 ARG 70 -3.887 14.342 0.162 584 HH21 ARG 70 HH21 ARG 70 -7.088 15.777 0.254 585 HH22 ARG 70 HH22 ARG 70 -5.937 14.789 1.096 586 H LEU 71 HN LEU 71 -2.231 18.996 -6.840 587 HA LEU 71 HA LEU 71 -2.771 17.396 -9.108 588 HB2 LEU 71 HB2 LEU 71 -1.008 19.875 -8.955 589 HB3 LEU 71 HB1 LEU 71 -1.716 19.199 -10.413 590 HG LEU 71 HG LEU 71 -3.130 20.656 -8.155 591 HD11 LEU 71 HD11 LEU 71 -3.029 21.213 -11.131 592 HD12 LEU 71 HD12 LEU 71 -2.120 22.061 -9.877 593 HD13 LEU 71 HD13 LEU 71 -3.877 22.170 -9.908 594 HD21 LEU 71 HD21 LEU 71 -4.484 19.114 -10.390 595 HD22 LEU 71 HD22 LEU 71 -5.282 20.219 -9.266 596 HD23 LEU 71 HD23 LEU 71 -4.543 18.740 -8.663 597 H ALA 72 HN ALA 72 0.132 17.941 -7.244 598 HA ALA 72 HA ALA 72 2.067 17.038 -9.092 599 HB1 ALA 72 HB1 ALA 72 3.621 17.038 -7.182 600 HB2 ALA 72 HB2 ALA 72 2.261 17.224 -6.069 601 HB3 ALA 72 HB3 ALA 72 2.646 18.513 -7.214 602 H LEU 73 HN LEU 73 0.776 15.437 -6.137 603 HA LEU 73 HA LEU 73 2.020 12.934 -6.720 604 HB2 LEU 73 HB2 LEU 73 -0.147 13.681 -4.747 605 HB3 LEU 73 HB1 LEU 73 0.363 12.014 -4.969 606 HG LEU 73 HG LEU 73 2.774 12.899 -4.474 607 HD11 LEU 73 HD11 LEU 73 2.898 14.860 -3.004 608 HD12 LEU 73 HD12 LEU 73 1.180 15.180 -3.286 609 HD13 LEU 73 HD13 LEU 73 2.333 15.278 -4.621 610 HD21 LEU 73 HD21 LEU 73 1.569 11.385 -3.003 611 HD22 LEU 73 HD22 LEU 73 0.719 12.742 -2.253 612 HD23 LEU 73 HD23 LEU 73 2.467 12.577 -2.064 613 H TRP 74 HN TRP 74 -1.101 14.321 -7.585 614 HA TRP 74 HA TRP 74 -2.436 12.007 -8.448 615 HB2 TRP 74 HB2 TRP 74 -3.638 14.133 -8.340 616 HB3 TRP 74 HB1 TRP 74 -2.604 14.840 -9.576 617 HD1 TRP 74 HD1 TRP 74 -5.108 11.850 -9.290 618 HE1 TRP 74 HE1 TRP 74 -6.288 11.584 -11.554 619 HE3 TRP 74 HE3 TRP 74 -2.692 15.519 -11.913 620 HZ2 TRP 74 HZ2 TRP 74 -6.220 12.756 -14.098 621 HZ3 TRP 74 HZ3 TRP 74 -3.315 15.886 -14.269 622 HH2 TRP 74 HH2 TRP 74 -5.048 14.529 -15.334 623 H ILE 75 HN ILE 75 -0.560 14.329 -10.450 624 HA ILE 75 HA ILE 75 -0.735 12.710 -12.788 625 HB ILE 75 HB ILE 75 -0.526 15.231 -12.812 626 HG12 ILE 75 HG12 ILE 75 0.886 15.331 -14.859 627 HG13 ILE 75 HG11 ILE 75 1.558 13.747 -14.490 628 HG21 ILE 75 HG21 ILE 75 1.713 16.253 -12.659 629 HG22 ILE 75 HG22 ILE 75 2.401 14.696 -12.198 630 HG23 ILE 75 HG23 ILE 75 1.242 15.497 -11.136 631 HD11 ILE 75 HD11 ILE 75 -1.334 14.317 -15.138 632 HD12 ILE 75 HD12 ILE 75 -0.623 12.726 -14.837 633 HD13 ILE 75 HD13 ILE 75 -0.127 13.665 -16.244 634 H HIS 76 HN HIS 76 1.555 12.939 -10.160 635 HA HIS 76 HA HIS 76 3.759 11.614 -11.371 636 HB2 HIS 76 HB2 HIS 76 3.792 12.907 -9.155 637 HB3 HIS 76 HB1 HIS 76 3.049 11.499 -8.400 638 HD1 HIS 76 HD1 HIS 76 4.840 10.352 -7.115 639 HD2 HIS 76 HD2 HIS 76 6.238 11.713 -10.789 640 HE1 HIS 76 HE1 HIS 76 7.249 9.659 -7.222 641 HE2 HIS 76 HE2 HIS 76 8.104 10.599 -9.396 642 H ALA 77 HN ALA 77 0.926 10.487 -9.555 643 HA ALA 77 HA ALA 77 1.560 7.671 -9.764 644 HB1 ALA 77 HB1 ALA 77 -1.019 9.050 -8.950 645 HB2 ALA 77 HB2 ALA 77 0.283 8.569 -7.860 646 HB3 ALA 77 HB3 ALA 77 -0.642 7.338 -8.722 647 H ALA 78 HN ALA 78 -0.256 9.994 -11.650 648 HA ALA 78 HA ALA 78 -1.919 8.195 -13.115 649 HB1 ALA 78 HB1 ALA 78 -2.417 10.133 -14.556 650 HB2 ALA 78 HB2 ALA 78 -1.095 11.039 -13.813 651 HB3 ALA 78 HB3 ALA 78 -2.500 10.581 -12.849 652 H LEU 79 HN LEU 79 1.144 9.868 -13.844 653 HA LEU 79 HA LEU 79 1.712 8.489 -16.272 654 HB2 LEU 79 HB2 LEU 79 3.610 9.860 -14.322 655 HB3 LEU 79 HB1 LEU 79 4.043 9.321 -15.941 656 HG LEU 79 HG LEU 79 2.046 11.531 -15.272 657 HD11 LEU 79 HD11 LEU 79 4.350 12.227 -14.859 658 HD12 LEU 79 HD12 LEU 79 3.695 13.066 -16.262 659 HD13 LEU 79 HD13 LEU 79 4.825 11.725 -16.484 660 HD21 LEU 79 HD21 LEU 79 1.333 10.367 -17.306 661 HD22 LEU 79 HD22 LEU 79 2.945 10.534 -18.006 662 HD23 LEU 79 HD23 LEU 79 1.955 11.966 -17.711 663 HA PRO 80 HA PRO 80 2.275 4.644 -13.930 664 HB2 PRO 80 HB2 PRO 80 2.578 2.919 -16.019 665 HB3 PRO 80 HB1 PRO 80 1.024 3.680 -15.645 666 HG2 PRO 80 HG2 PRO 80 3.082 4.492 -17.711 667 HG3 PRO 80 HG1 PRO 80 1.321 4.318 -17.898 668 HD2 PRO 80 HD2 PRO 80 2.507 6.736 -17.498 669 HD3 PRO 80 HD1 PRO 80 0.880 6.370 -16.884 670 H ASP 81 HN ASP 81 4.650 6.120 -15.870 671 HA ASP 81 HA ASP 81 6.821 4.305 -15.078 672 HB2 ASP 81 HB2 ASP 81 6.867 6.788 -16.858 673 HB3 ASP 81 HB1 ASP 81 8.219 5.687 -16.594 674 H ASN 82 HN ASN 82 5.235 6.992 -13.843 675 HA ASN 82 HA ASN 82 5.635 8.693 -12.409 676 HB2 ASN 82 HB2 ASN 82 7.807 6.837 -11.341 677 HB3 ASN 82 HB1 ASN 82 7.103 8.189 -10.463 678 HD21 ASN 82 HD21 ASN 82 4.330 7.448 -11.516 679 HD22 ASN 82 HD22 ASN 82 3.873 6.104 -10.538 680 H ASP 83 HN ASP 83 6.716 9.012 -14.853 681 HA ASP 83 HA ASP 83 9.364 9.548 -15.329 682 HB2 ASP 83 HB2 ASP 83 7.472 9.487 -16.998 683 HB3 ASP 83 HB1 ASP 83 6.944 11.063 -16.430 684 HA PRO 84 HA PRO 84 10.215 13.272 -12.823 685 HB2 PRO 84 HB2 PRO 84 12.512 14.174 -13.967 686 HB3 PRO 84 HB1 PRO 84 12.460 12.659 -13.051 687 HG2 PRO 84 HG2 PRO 84 12.282 13.056 -16.048 688 HG3 PRO 84 HG1 PRO 84 13.336 11.950 -15.136 689 HD2 PRO 84 HD2 PRO 84 11.022 11.097 -16.255 690 HD3 PRO 84 HD1 PRO 84 11.593 10.438 -14.704 691 H LEU 85 HN LEU 85 9.118 13.379 -15.950 692 HA LEU 85 HA LEU 85 7.846 14.783 -17.103 693 HB2 LEU 85 HB2 LEU 85 7.962 16.662 -14.711 694 HB3 LEU 85 HB1 LEU 85 6.853 16.787 -16.064 695 HG LEU 85 HG LEU 85 6.242 14.256 -15.239 696 HD11 LEU 85 HD11 LEU 85 7.048 15.646 -12.678 697 HD12 LEU 85 HD12 LEU 85 7.763 14.195 -13.375 698 HD13 LEU 85 HD13 LEU 85 6.108 14.152 -12.784 699 HD21 LEU 85 HD21 LEU 85 4.601 15.986 -15.596 700 HD22 LEU 85 HD22 LEU 85 5.044 16.778 -14.086 701 HD23 LEU 85 HD23 LEU 85 4.290 15.179 -14.063 702 H LYS 86 HN LYS 86 10.961 15.292 -16.670 703 HA LYS 86 HA LYS 86 11.134 17.855 -18.136 704 HB2 LYS 86 HB2 LYS 86 12.416 17.348 -15.848 705 HB3 LYS 86 HB1 LYS 86 13.523 16.441 -16.867 706 HG2 LYS 86 HG2 LYS 86 12.864 19.392 -17.172 707 HG3 LYS 86 HG1 LYS 86 14.290 18.757 -16.361 708 HD2 LYS 86 HD2 LYS 86 13.693 18.267 -19.309 709 HD3 LYS 86 HD1 LYS 86 14.620 19.650 -18.734 710 HE2 LYS 86 HE2 LYS 86 16.180 17.975 -19.467 711 HE3 LYS 86 HE1 LYS 86 16.264 18.029 -17.711 712 HZ1 LYS 86 HZ1 LYS 86 14.774 16.021 -19.305 713 HZ2 LYS 86 HZ2 LYS 86 14.915 16.045 -17.622 714 HZ3 LYS 86 HZ3 LYS 86 16.279 15.778 -18.577 Start of MODEL 12 1 H MET 1 HT1 MET 1 4.869 -1.748 -12.182 2 HA MET 1 HA MET 1 6.258 -0.865 -10.416 3 HB2 MET 1 HB2 MET 1 4.793 1.264 -12.045 4 HB3 MET 1 HB1 MET 1 6.323 1.519 -11.215 5 HG2 MET 1 HG2 MET 1 6.706 1.193 -13.573 6 HG3 MET 1 HG1 MET 1 7.381 -0.172 -12.680 7 HE1 MET 1 HE1 MET 1 7.547 -1.599 -14.957 8 HE2 MET 1 HE2 MET 1 6.906 -0.211 -15.838 9 HE3 MET 1 HE3 MET 1 6.188 -1.806 -16.063 10 H SER 2 HN SER 2 6.178 -0.384 -8.278 11 HA SER 2 HA SER 2 3.788 0.433 -6.934 12 HB2 SER 2 HB2 SER 2 5.376 0.653 -4.934 13 HB3 SER 2 HB1 SER 2 5.375 -0.931 -5.707 14 HG SER 2 HG SER 2 7.469 -0.500 -5.550 15 H LYS 3 HN LYS 3 6.772 2.243 -6.350 16 HA LYS 3 HA LYS 3 6.602 4.422 -7.980 17 HB2 LYS 3 HB2 LYS 3 4.358 4.799 -6.702 18 HB3 LYS 3 HB1 LYS 3 5.346 5.240 -5.321 19 HG2 LYS 3 HG2 LYS 3 6.224 7.157 -6.464 20 HG3 LYS 3 HG1 LYS 3 5.549 6.634 -8.008 21 HD2 LYS 3 HD2 LYS 3 3.828 7.354 -5.602 22 HD3 LYS 3 HD1 LYS 3 4.313 8.537 -6.816 23 HE2 LYS 3 HE2 LYS 3 2.038 7.725 -7.272 24 HE3 LYS 3 HE1 LYS 3 3.135 7.242 -8.556 25 HZ1 LYS 3 HZ1 LYS 3 2.238 5.454 -6.356 26 HZ2 LYS 3 HZ2 LYS 3 3.170 5.011 -7.700 27 HZ3 LYS 3 HZ3 LYS 3 1.565 5.497 -7.909 28 H THR 4 HN THR 4 8.604 5.286 -7.786 29 HA THR 4 HA THR 4 10.302 4.839 -5.496 30 HB THR 4 HB THR 4 11.249 4.857 -7.762 31 HG1 THR 4 HG1 THR 4 13.044 6.047 -7.272 32 HG21 THR 4 HG21 THR 4 11.477 6.929 -9.077 33 HG22 THR 4 HG22 THR 4 10.525 7.808 -7.882 34 HG23 THR 4 HG23 THR 4 9.773 6.524 -8.830 35 H ALA 5 HN ALA 5 8.028 7.220 -6.388 36 HA ALA 5 HA ALA 5 7.052 8.922 -5.284 37 HB1 ALA 5 HB1 ALA 5 7.363 9.151 -2.861 38 HB2 ALA 5 HB2 ALA 5 8.774 8.092 -2.938 39 HB3 ALA 5 HB3 ALA 5 7.175 7.456 -3.324 40 H LYS 6 HN LYS 6 9.855 9.202 -6.593 41 HA LYS 6 HA LYS 6 11.089 11.468 -5.351 42 HB2 LYS 6 HB2 LYS 6 11.420 10.357 -8.169 43 HB3 LYS 6 HB1 LYS 6 12.446 11.588 -7.443 44 HG2 LYS 6 HG2 LYS 6 12.168 8.802 -6.264 45 HG3 LYS 6 HG1 LYS 6 13.345 9.192 -7.512 46 HD2 LYS 6 HD2 LYS 6 14.600 9.359 -5.533 47 HD3 LYS 6 HD1 LYS 6 14.197 11.035 -5.883 48 HE2 LYS 6 HE2 LYS 6 13.965 10.573 -3.491 49 HE3 LYS 6 HE1 LYS 6 12.383 10.923 -4.182 50 HZ1 LYS 6 HZ1 LYS 6 13.456 8.215 -3.613 51 HZ2 LYS 6 HZ2 LYS 6 11.936 8.559 -4.259 52 HZ3 LYS 6 HZ3 LYS 6 12.305 9.041 -2.685 53 H LEU 7 HN LEU 7 10.334 13.439 -5.385 54 HA LEU 7 HA LEU 7 9.021 14.654 -7.674 55 HB2 LEU 7 HB2 LEU 7 7.255 13.394 -6.286 56 HB3 LEU 7 HB1 LEU 7 7.560 14.527 -4.987 57 HG LEU 7 HG LEU 7 6.606 15.457 -7.729 58 HD11 LEU 7 HD11 LEU 7 4.844 14.649 -5.394 59 HD12 LEU 7 HD12 LEU 7 4.993 13.793 -6.932 60 HD13 LEU 7 HD13 LEU 7 4.303 15.413 -6.893 61 HD21 LEU 7 HD21 LEU 7 5.730 17.403 -6.516 62 HD22 LEU 7 HD22 LEU 7 7.466 17.244 -6.258 63 HD23 LEU 7 HD23 LEU 7 6.339 16.752 -4.991 64 H ASN 8 HN ASN 8 10.852 15.934 -7.675 65 HA ASN 8 HA ASN 8 11.653 17.388 -5.257 66 HB2 ASN 8 HB2 ASN 8 13.066 17.078 -7.947 67 HB3 ASN 8 HB1 ASN 8 13.711 17.969 -6.571 68 HD21 ASN 8 HD21 ASN 8 15.475 16.725 -6.095 69 HD22 ASN 8 HD22 ASN 8 15.406 15.063 -5.644 70 H ASN 9 HN ASN 9 11.445 18.261 -8.753 71 HA ASN 9 HA ASN 9 10.676 20.994 -7.995 72 HB2 ASN 9 HB2 ASN 9 12.446 20.532 -9.784 73 HB3 ASN 9 HB1 ASN 9 11.145 19.936 -10.814 74 HD21 ASN 9 HD21 ASN 9 9.684 21.414 -11.696 75 HD22 ASN 9 HD22 ASN 9 9.945 23.123 -11.659 76 H GLU 10 HN GLU 10 8.629 20.604 -7.215 77 HA GLU 10 HA GLU 10 6.567 19.102 -8.295 78 HB2 GLU 10 HB2 GLU 10 6.574 19.955 -6.002 79 HB3 GLU 10 HB1 GLU 10 6.437 21.612 -6.585 80 HG2 GLU 10 HG2 GLU 10 4.204 21.183 -7.433 81 HG3 GLU 10 HG1 GLU 10 4.336 19.475 -7.036 82 H GLU 11 HN GLU 11 7.567 22.353 -9.021 83 HA GLU 11 HA GLU 11 5.487 23.614 -10.223 84 HB2 GLU 11 HB2 GLU 11 7.686 24.615 -9.859 85 HB3 GLU 11 HB1 GLU 11 8.408 23.541 -11.046 86 HG2 GLU 11 HG2 GLU 11 6.918 24.669 -12.791 87 HG3 GLU 11 HG1 GLU 11 6.542 25.870 -11.554 88 H LYS 12 HN LYS 12 7.635 21.245 -11.832 89 HA LYS 12 HA LYS 12 6.530 21.569 -14.459 90 HB2 LYS 12 HB2 LYS 12 8.247 19.316 -13.339 91 HB3 LYS 12 HB1 LYS 12 7.910 19.576 -15.054 92 HG2 LYS 12 HG2 LYS 12 9.073 21.751 -14.956 93 HG3 LYS 12 HG1 LYS 12 9.371 21.520 -13.239 94 HD2 LYS 12 HD2 LYS 12 11.416 20.979 -14.325 95 HD3 LYS 12 HD1 LYS 12 10.703 19.435 -13.856 96 HE2 LYS 12 HE2 LYS 12 9.891 19.113 -16.170 97 HE3 LYS 12 HE1 LYS 12 10.587 20.668 -16.636 98 HZ1 LYS 12 HZ1 LYS 12 12.091 18.299 -15.663 99 HZ2 LYS 12 HZ2 LYS 12 12.777 19.794 -16.060 100 HZ3 LYS 12 HZ3 LYS 12 12.030 18.860 -17.258 101 H LEU 13 HN LEU 13 5.957 19.332 -11.796 102 HA LEU 13 HA LEU 13 4.165 17.582 -13.172 103 HB2 LEU 13 HB2 LEU 13 4.447 18.111 -10.193 104 HB3 LEU 13 HB1 LEU 13 3.423 16.865 -10.890 105 HG LEU 13 HG LEU 13 5.714 16.099 -12.029 106 HD11 LEU 13 HD11 LEU 13 6.748 17.410 -9.519 107 HD12 LEU 13 HD12 LEU 13 7.087 17.919 -11.177 108 HD13 LEU 13 HD13 LEU 13 7.661 16.353 -10.603 109 HD21 LEU 13 HD21 LEU 13 5.009 15.429 -9.171 110 HD22 LEU 13 HD22 LEU 13 6.046 14.470 -10.233 111 HD23 LEU 13 HD23 LEU 13 4.339 14.677 -10.621 112 H VAL 14 HN VAL 14 3.707 20.542 -11.293 113 HA VAL 14 HA VAL 14 0.882 20.593 -11.187 114 HB VAL 14 HB VAL 14 2.844 22.935 -11.206 115 HG11 VAL 14 HG11 VAL 14 -0.079 22.906 -10.335 116 HG12 VAL 14 HG12 VAL 14 0.568 23.730 -11.756 117 HG13 VAL 14 HG13 VAL 14 1.030 24.267 -10.140 118 HG21 VAL 14 HG21 VAL 14 3.269 21.363 -9.371 119 HG22 VAL 14 HG22 VAL 14 1.584 21.463 -8.861 120 HG23 VAL 14 HG23 VAL 14 2.629 22.882 -8.741 121 H LYS 15 HN LYS 15 3.196 22.048 -13.487 122 HA LYS 15 HA LYS 15 1.455 23.209 -15.337 123 HB2 LYS 15 HB2 LYS 15 4.130 21.844 -15.866 124 HB3 LYS 15 HB1 LYS 15 3.286 22.861 -17.034 125 HG2 LYS 15 HG2 LYS 15 3.535 24.793 -15.503 126 HG3 LYS 15 HG1 LYS 15 4.422 23.765 -14.369 127 HD2 LYS 15 HD2 LYS 15 6.157 23.357 -16.074 128 HD3 LYS 15 HD1 LYS 15 5.260 24.335 -17.239 129 HE2 LYS 15 HE2 LYS 15 5.570 26.311 -15.745 130 HE3 LYS 15 HE1 LYS 15 6.560 25.310 -14.676 131 HZ1 LYS 15 HZ1 LYS 15 7.926 26.579 -16.187 132 HZ2 LYS 15 HZ2 LYS 15 7.127 25.922 -17.525 133 HZ3 LYS 15 HZ3 LYS 15 8.069 24.930 -16.532 134 H LYS 16 HN LYS 16 2.772 19.918 -15.202 135 HA LYS 16 HA LYS 16 1.648 18.928 -17.588 136 HB2 LYS 16 HB2 LYS 16 3.559 17.886 -16.313 137 HB3 LYS 16 HB1 LYS 16 2.414 17.342 -15.100 138 HG2 LYS 16 HG2 LYS 16 3.056 15.539 -16.664 139 HG3 LYS 16 HG1 LYS 16 1.320 15.872 -16.710 140 HD2 LYS 16 HD2 LYS 16 1.603 17.165 -18.781 141 HD3 LYS 16 HD1 LYS 16 3.350 16.920 -18.723 142 HE2 LYS 16 HE2 LYS 16 3.070 14.530 -19.095 143 HE3 LYS 16 HE1 LYS 16 1.312 14.680 -18.981 144 HZ1 LYS 16 HZ1 LYS 16 1.321 16.038 -20.963 145 HZ2 LYS 16 HZ2 LYS 16 2.083 14.561 -21.274 146 HZ3 LYS 16 HZ3 LYS 16 3.008 15.957 -21.055 147 H ALA 17 HN ALA 17 0.447 19.054 -14.270 148 HA ALA 17 HA ALA 17 -1.921 17.491 -14.704 149 HB1 ALA 17 HB1 ALA 17 -2.597 18.267 -12.477 150 HB2 ALA 17 HB2 ALA 17 -1.280 19.444 -12.477 151 HB3 ALA 17 HB3 ALA 17 -0.921 17.717 -12.476 152 H LEU 18 HN LEU 18 -1.115 20.914 -15.054 153 HA LEU 18 HA LEU 18 -3.781 21.895 -15.407 154 HB2 LEU 18 HB2 LEU 18 -1.209 23.046 -16.571 155 HB3 LEU 18 HB1 LEU 18 -2.757 23.877 -16.473 156 HG LEU 18 HG LEU 18 -0.950 23.102 -14.157 157 HD11 LEU 18 HD11 LEU 18 -0.736 25.490 -13.748 158 HD12 LEU 18 HD12 LEU 18 -1.772 25.847 -15.135 159 HD13 LEU 18 HD13 LEU 18 -0.198 25.083 -15.377 160 HD21 LEU 18 HD21 LEU 18 -3.701 24.370 -14.006 161 HD22 LEU 18 HD22 LEU 18 -2.578 24.168 -12.658 162 HD23 LEU 18 HD23 LEU 18 -3.254 22.753 -13.455 163 H GLU 19 HN GLU 19 -1.316 20.574 -17.569 164 HA GLU 19 HA GLU 19 -2.673 21.009 -20.031 165 HB2 GLU 19 HB2 GLU 19 -0.522 18.955 -19.360 166 HB3 GLU 19 HB1 GLU 19 -1.016 19.416 -20.989 167 HG2 GLU 19 HG2 GLU 19 0.369 21.182 -18.940 168 HG3 GLU 19 HG1 GLU 19 1.089 20.485 -20.388 169 H ILE 20 HN ILE 20 -2.305 18.088 -18.019 170 HA ILE 20 HA ILE 20 -3.925 16.429 -19.685 171 HB ILE 20 HB ILE 20 -3.083 15.911 -16.793 172 HG12 ILE 20 HG12 ILE 20 -1.072 16.233 -18.150 173 HG13 ILE 20 HG11 ILE 20 -1.232 14.521 -17.791 174 HG21 ILE 20 HG21 ILE 20 -4.068 13.974 -18.920 175 HG22 ILE 20 HG22 ILE 20 -4.939 14.456 -17.462 176 HG23 ILE 20 HG23 ILE 20 -3.455 13.510 -17.329 177 HD11 ILE 20 HD11 ILE 20 -1.900 15.870 -20.410 178 HD12 ILE 20 HD12 ILE 20 -2.104 14.151 -20.060 179 HD13 ILE 20 HD13 ILE 20 -0.495 14.867 -20.057 180 H GLY 21 HN GLY 21 -4.454 17.893 -16.452 181 HA2 GLY 21 HA2 GLY 21 -7.134 17.107 -16.088 182 HA3 GLY 21 HA1 GLY 21 -6.341 18.449 -15.279 183 H GLY 22 HN GLY 22 -5.722 19.971 -17.637 184 HA2 GLY 22 HA2 GLY 22 -8.085 21.471 -18.039 185 HA3 GLY 22 HA1 GLY 22 -6.603 21.621 -18.965 186 H LYS 23 HN LYS 23 -6.333 19.313 -20.321 187 HA LYS 23 HA LYS 23 -8.258 19.537 -22.419 188 HB2 LYS 23 HB2 LYS 23 -7.061 17.766 -23.572 189 HB3 LYS 23 HB1 LYS 23 -5.882 18.852 -22.842 190 HG2 LYS 23 HG2 LYS 23 -5.345 17.283 -21.125 191 HG3 LYS 23 HG1 LYS 23 -6.744 16.283 -21.498 192 HD2 LYS 23 HD2 LYS 23 -5.733 15.720 -23.689 193 HD3 LYS 23 HD1 LYS 23 -4.290 16.644 -23.246 194 HE2 LYS 23 HE2 LYS 23 -3.909 15.121 -21.338 195 HE3 LYS 23 HE1 LYS 23 -5.373 14.225 -21.748 196 HZ1 LYS 23 HZ1 LYS 23 -3.431 13.099 -22.562 197 HZ2 LYS 23 HZ2 LYS 23 -2.943 14.463 -23.426 198 HZ3 LYS 23 HZ3 LYS 23 -4.353 13.644 -23.865 199 H MET 24 HN MET 24 -7.831 17.255 -19.742 200 HA MET 24 HA MET 24 -9.645 15.246 -20.519 201 HB2 MET 24 HB2 MET 24 -8.569 16.104 -17.824 202 HB3 MET 24 HB1 MET 24 -9.870 14.925 -17.889 203 HG2 MET 24 HG2 MET 24 -8.488 13.378 -19.129 204 HG3 MET 24 HG1 MET 24 -7.210 14.581 -19.285 205 HE1 MET 24 HE1 MET 24 -9.239 12.395 -16.632 206 HE2 MET 24 HE2 MET 24 -9.324 14.030 -15.975 207 HE3 MET 24 HE3 MET 24 -8.360 12.800 -15.158 208 H ALA 25 HN ALA 25 -10.093 18.048 -18.340 209 HA ALA 25 HA ALA 25 -12.812 17.871 -17.834 210 HB1 ALA 25 HB1 ALA 25 -12.735 20.286 -17.348 211 HB2 ALA 25 HB2 ALA 25 -11.168 20.405 -18.160 212 HB3 ALA 25 HB3 ALA 25 -11.329 19.454 -16.681 213 H LYS 26 HN LYS 26 -11.148 19.587 -20.452 214 HA LYS 26 HA LYS 26 -13.280 20.758 -21.750 215 HB2 LYS 26 HB2 LYS 26 -10.874 21.157 -22.263 216 HB3 LYS 26 HB1 LYS 26 -10.796 19.599 -23.080 217 HG2 LYS 26 HG2 LYS 26 -12.556 20.451 -24.692 218 HG3 LYS 26 HG1 LYS 26 -12.427 22.032 -23.917 219 HD2 LYS 26 HD2 LYS 26 -11.075 22.053 -25.929 220 HD3 LYS 26 HD1 LYS 26 -9.993 22.083 -24.534 221 HE2 LYS 26 HE2 LYS 26 -9.505 19.703 -24.813 222 HE3 LYS 26 HE1 LYS 26 -10.689 19.580 -26.119 223 HZ1 LYS 26 HZ1 LYS 26 -9.350 21.160 -27.388 224 HZ2 LYS 26 HZ2 LYS 26 -8.489 19.754 -27.016 225 HZ3 LYS 26 HZ3 LYS 26 -8.192 21.180 -26.155 226 H MET 27 HN MET 27 -11.805 17.603 -22.510 227 HA MET 27 HA MET 27 -13.641 16.809 -24.523 228 HB2 MET 27 HB2 MET 27 -11.763 15.152 -22.795 229 HB3 MET 27 HB1 MET 27 -12.592 14.547 -24.228 230 HG2 MET 27 HG2 MET 27 -11.373 16.190 -25.622 231 HG3 MET 27 HG1 MET 27 -10.532 16.775 -24.186 232 HE1 MET 27 HE1 MET 27 -10.037 13.932 -22.638 233 HE2 MET 27 HE2 MET 27 -8.803 15.189 -22.751 234 HE3 MET 27 HE3 MET 27 -8.425 13.531 -23.223 235 H GLN 28 HN GLN 28 -13.634 16.325 -21.009 236 HA GLN 28 HA GLN 28 -15.712 14.373 -20.873 237 HB2 GLN 28 HB2 GLN 28 -14.690 16.337 -18.784 238 HB3 GLN 28 HB1 GLN 28 -15.919 15.124 -18.437 239 HG2 GLN 28 HG2 GLN 28 -13.015 14.646 -19.171 240 HG3 GLN 28 HG1 GLN 28 -13.792 14.351 -17.620 241 HE21 GLN 28 HE21 GLN 28 -13.312 13.177 -20.859 242 HE22 GLN 28 HE22 GLN 28 -13.992 11.611 -20.620 243 H GLY 29 HN GLY 29 -15.666 17.844 -21.197 244 HA2 GLY 29 HA2 GLY 29 -17.664 18.550 -22.577 245 HA3 GLY 29 HA1 GLY 29 -18.645 17.904 -21.265 246 H PHE 30 HN PHE 30 -15.620 19.745 -21.054 247 HA PHE 30 HA PHE 30 -17.034 22.000 -19.734 248 HB2 PHE 30 HB2 PHE 30 -14.558 20.612 -18.574 249 HB3 PHE 30 HB1 PHE 30 -15.352 22.028 -17.901 250 HD1 PHE 30 HD2 PHE 30 -17.624 21.798 -16.827 251 HD2 PHE 30 HD1 PHE 30 -15.377 18.384 -18.095 252 HE1 PHE 30 HE2 PHE 30 -19.037 20.336 -15.432 253 HE2 PHE 30 HE1 PHE 30 -16.797 16.935 -16.705 254 HZ PHE 30 HZ PHE 30 -18.627 17.910 -15.373 255 H ASP 31 HN ASP 31 -14.993 23.627 -19.152 256 HA ASP 31 HA ASP 31 -12.660 23.389 -20.762 257 HB2 ASP 31 HB2 ASP 31 -12.858 25.514 -22.057 258 HB3 ASP 31 HB1 ASP 31 -14.046 24.323 -22.554 259 H LEU 32 HN LEU 32 -11.374 23.656 -19.045 260 HA LEU 32 HA LEU 32 -11.811 25.575 -16.955 261 HB2 LEU 32 HB2 LEU 32 -9.330 23.952 -17.643 262 HB3 LEU 32 HB1 LEU 32 -9.550 24.874 -16.161 263 HG LEU 32 HG LEU 32 -11.244 22.476 -16.991 264 HD11 LEU 32 HD11 LEU 32 -9.057 22.635 -14.899 265 HD12 LEU 32 HD12 LEU 32 -8.980 21.773 -16.438 266 HD13 LEU 32 HD13 LEU 32 -10.110 21.245 -15.194 267 HD21 LEU 32 HD21 LEU 32 -11.264 24.042 -14.377 268 HD22 LEU 32 HD22 LEU 32 -12.192 22.577 -14.713 269 HD23 LEU 32 HD23 LEU 32 -12.532 24.053 -15.609 270 HA PRO 33 HA PRO 33 -10.495 28.993 -19.488 271 HB2 PRO 33 HB2 PRO 33 -10.186 30.940 -17.549 272 HB3 PRO 33 HB1 PRO 33 -11.760 30.388 -18.139 273 HG2 PRO 33 HG2 PRO 33 -10.259 29.542 -15.659 274 HG3 PRO 33 HG1 PRO 33 -11.978 29.968 -15.835 275 HD2 PRO 33 HD2 PRO 33 -11.179 27.387 -15.754 276 HD3 PRO 33 HD1 PRO 33 -12.522 27.897 -16.802 277 H GLN 34 HN GLN 34 -8.632 29.946 -20.217 278 HA GLN 34 HA GLN 34 -6.095 29.120 -19.030 279 HB2 GLN 34 HB2 GLN 34 -6.717 28.904 -21.536 280 HB3 GLN 34 HB1 GLN 34 -6.480 30.637 -21.649 281 HG2 GLN 34 HG2 GLN 34 -4.250 28.927 -20.557 282 HG3 GLN 34 HG1 GLN 34 -4.548 28.922 -22.290 283 HE21 GLN 34 HE21 GLN 34 -2.220 29.909 -20.749 284 HE22 GLN 34 HE22 GLN 34 -2.016 31.548 -21.250 285 H SER 35 HN SER 35 -7.214 30.703 -17.321 286 HA SER 35 HA SER 35 -6.574 33.507 -17.510 287 HB2 SER 35 HB2 SER 35 -7.320 31.750 -15.131 288 HB3 SER 35 HB1 SER 35 -7.409 33.512 -15.178 289 HG SER 35 HG SER 35 -8.786 32.705 -17.246 290 HA PRO 36 HA PRO 36 -2.383 34.258 -15.991 291 HB2 PRO 36 HB2 PRO 36 -3.126 34.061 -13.097 292 HB3 PRO 36 HB1 PRO 36 -2.170 35.287 -13.937 293 HG2 PRO 36 HG2 PRO 36 -4.922 35.451 -13.284 294 HG3 PRO 36 HG1 PRO 36 -4.034 36.540 -14.353 295 HD2 PRO 36 HD2 PRO 36 -6.116 34.786 -15.120 296 HD3 PRO 36 HD1 PRO 36 -5.010 35.634 -16.220 297 H GLN 37 HN GLN 37 -2.656 32.468 -12.958 298 HA GLN 37 HA GLN 37 -1.544 30.014 -14.091 299 HB2 GLN 37 HB2 GLN 37 0.083 31.647 -12.081 300 HB3 GLN 37 HB1 GLN 37 0.447 29.991 -12.549 301 HG2 GLN 37 HG2 GLN 37 0.915 30.722 -14.843 302 HG3 GLN 37 HG1 GLN 37 0.463 32.374 -14.426 303 HE21 GLN 37 HE21 GLN 37 2.494 33.202 -14.996 304 HE22 GLN 37 HE22 GLN 37 3.903 32.931 -14.038 305 HA PRO 38 HA PRO 38 -2.295 28.998 -9.400 306 HB2 PRO 38 HB2 PRO 38 -3.298 30.839 -7.639 307 HB3 PRO 38 HB1 PRO 38 -1.570 30.707 -7.994 308 HG2 PRO 38 HG2 PRO 38 -3.597 32.622 -9.166 309 HG3 PRO 38 HG1 PRO 38 -1.984 32.978 -8.506 310 HD2 PRO 38 HD2 PRO 38 -2.398 32.743 -11.171 311 HD3 PRO 38 HD1 PRO 38 -0.887 32.184 -10.418 312 H VAL 39 HN VAL 39 -4.584 31.196 -10.837 313 HA VAL 39 HA VAL 39 -6.991 30.195 -9.729 314 HB VAL 39 HB VAL 39 -8.074 31.404 -11.697 315 HG11 VAL 39 HG11 VAL 39 -6.064 33.001 -10.046 316 HG12 VAL 39 HG12 VAL 39 -7.694 32.550 -9.536 317 HG13 VAL 39 HG13 VAL 39 -7.470 33.671 -10.881 318 HG21 VAL 39 HG21 VAL 39 -6.614 32.850 -13.096 319 HG22 VAL 39 HG22 VAL 39 -6.255 31.140 -13.344 320 HG23 VAL 39 HG23 VAL 39 -5.184 32.130 -12.350 321 H ARG 40 HN ARG 40 -5.127 29.323 -12.638 322 HA ARG 40 HA ARG 40 -7.050 27.447 -13.674 323 HB2 ARG 40 HB2 ARG 40 -4.046 27.502 -14.194 324 HB3 ARG 40 HB1 ARG 40 -5.250 26.596 -15.119 325 HG2 ARG 40 HG2 ARG 40 -6.282 28.891 -15.679 326 HG3 ARG 40 HG1 ARG 40 -4.787 29.587 -15.040 327 HD2 ARG 40 HD2 ARG 40 -4.557 29.372 -17.435 328 HD3 ARG 40 HD1 ARG 40 -3.502 28.165 -16.686 329 HE ARG 40 HE ARG 40 -6.206 27.500 -17.698 330 HH11 ARG 40 HH11 ARG 40 -2.775 26.769 -17.642 331 HH12 ARG 40 HH12 ARG 40 -2.935 25.377 -18.658 332 HH21 ARG 40 HH21 ARG 40 -6.402 25.673 -18.999 333 HH22 ARG 40 HH22 ARG 40 -4.999 24.740 -19.411 334 H VAL 41 HN VAL 41 -4.204 27.280 -11.614 335 HA VAL 41 HA VAL 41 -3.872 24.536 -11.279 336 HB VAL 41 HB VAL 41 -3.343 26.835 -9.333 337 HG11 VAL 41 HG11 VAL 41 -2.211 24.023 -9.174 338 HG12 VAL 41 HG12 VAL 41 -3.423 24.702 -8.094 339 HG13 VAL 41 HG13 VAL 41 -1.799 25.376 -8.118 340 HG21 VAL 41 HG21 VAL 41 -2.123 27.023 -11.465 341 HG22 VAL 41 HG22 VAL 41 -1.471 25.398 -11.257 342 HG23 VAL 41 HG23 VAL 41 -1.001 26.686 -10.144 343 H LYS 42 HN LYS 42 -5.901 26.798 -9.461 344 HA LYS 42 HA LYS 42 -6.988 24.849 -7.657 345 HB2 LYS 42 HB2 LYS 42 -6.668 27.406 -7.306 346 HB3 LYS 42 HB1 LYS 42 -8.166 27.598 -8.201 347 HG2 LYS 42 HG2 LYS 42 -7.960 25.902 -5.691 348 HG3 LYS 42 HG1 LYS 42 -8.295 27.632 -5.635 349 HD2 LYS 42 HD2 LYS 42 -10.025 25.511 -6.981 350 HD3 LYS 42 HD1 LYS 42 -10.365 26.306 -5.444 351 HE2 LYS 42 HE2 LYS 42 -10.206 27.710 -8.145 352 HE3 LYS 42 HE1 LYS 42 -11.695 27.260 -7.312 353 HZ1 LYS 42 HZ1 LYS 42 -9.652 29.157 -6.297 354 HZ2 LYS 42 HZ2 LYS 42 -11.065 28.710 -5.486 355 HZ3 LYS 42 HZ3 LYS 42 -11.160 29.570 -6.937 356 H ALA 43 HN ALA 43 -8.101 26.374 -10.698 357 HA ALA 43 HA ALA 43 -10.713 25.342 -10.836 358 HB1 ALA 43 HB1 ALA 43 -10.575 25.733 -13.266 359 HB2 ALA 43 HB2 ALA 43 -8.817 25.879 -13.155 360 HB3 ALA 43 HB3 ALA 43 -9.851 27.074 -12.371 361 H VAL 44 HN VAL 44 -7.690 23.938 -12.079 362 HA VAL 44 HA VAL 44 -8.677 21.546 -13.163 363 HB VAL 44 HB VAL 44 -5.892 22.185 -12.081 364 HG11 VAL 44 HG11 VAL 44 -6.730 19.774 -13.749 365 HG12 VAL 44 HG12 VAL 44 -6.207 19.729 -12.064 366 HG13 VAL 44 HG13 VAL 44 -5.069 20.203 -13.325 367 HG21 VAL 44 HG21 VAL 44 -6.937 22.091 -14.940 368 HG22 VAL 44 HG22 VAL 44 -5.274 22.448 -14.463 369 HG23 VAL 44 HG23 VAL 44 -6.575 23.556 -14.024 370 H TYR 45 HN TYR 45 -7.354 22.307 -9.954 371 HA TYR 45 HA TYR 45 -7.512 19.875 -8.662 372 HB2 TYR 45 HB2 TYR 45 -6.479 21.655 -7.516 373 HB3 TYR 45 HB1 TYR 45 -7.846 22.731 -7.736 374 HD1 TYR 45 HD1 TYR 45 -6.644 19.775 -5.778 375 HD2 TYR 45 HD2 TYR 45 -9.580 22.864 -6.108 376 HE1 TYR 45 HE1 TYR 45 -7.464 19.249 -3.517 377 HE2 TYR 45 HE2 TYR 45 -10.389 22.342 -3.861 378 HH TYR 45 HH TYR 45 -10.409 20.519 -2.315 379 H LEU 46 HN LEU 46 -10.136 22.330 -8.881 380 HA LEU 46 HA LEU 46 -12.104 20.939 -7.414 381 HB2 LEU 46 HB2 LEU 46 -12.459 22.982 -9.636 382 HB3 LEU 46 HB1 LEU 46 -13.775 22.398 -8.622 383 HG LEU 46 HG LEU 46 -11.381 24.043 -7.717 384 HD11 LEU 46 HD11 LEU 46 -14.335 24.729 -7.856 385 HD12 LEU 46 HD12 LEU 46 -13.066 25.334 -8.924 386 HD13 LEU 46 HD13 LEU 46 -13.058 25.768 -7.216 387 HD21 LEU 46 HD21 LEU 46 -13.634 22.905 -6.015 388 HD22 LEU 46 HD22 LEU 46 -12.421 24.066 -5.471 389 HD23 LEU 46 HD23 LEU 46 -11.928 22.445 -5.945 390 H PHE 47 HN PHE 47 -11.436 21.001 -10.906 391 HA PHE 47 HA PHE 47 -13.447 19.280 -11.817 392 HB2 PHE 47 HB2 PHE 47 -12.261 20.361 -13.550 393 HB3 PHE 47 HB1 PHE 47 -10.688 19.979 -12.858 394 HD1 PHE 47 HD1 PHE 47 -13.683 18.138 -14.273 395 HD2 PHE 47 HD2 PHE 47 -9.418 18.365 -13.987 396 HE1 PHE 47 HE1 PHE 47 -13.472 16.170 -15.738 397 HE2 PHE 47 HE2 PHE 47 -9.217 16.407 -15.455 398 HZ PHE 47 HZ PHE 47 -11.241 15.302 -16.331 399 H LEU 48 HN LEU 48 -10.157 18.486 -10.683 400 HA LEU 48 HA LEU 48 -10.252 15.715 -11.156 401 HB2 LEU 48 HB2 LEU 48 -8.553 17.269 -9.178 402 HB3 LEU 48 HB1 LEU 48 -8.287 15.586 -9.612 403 HG LEU 48 HG LEU 48 -7.993 17.991 -11.449 404 HD11 LEU 48 HD11 LEU 48 -5.620 17.423 -11.479 405 HD12 LEU 48 HD12 LEU 48 -5.908 16.092 -10.356 406 HD13 LEU 48 HD13 LEU 48 -6.177 17.759 -9.840 407 HD21 LEU 48 HD21 LEU 48 -8.869 16.114 -12.748 408 HD22 LEU 48 HD22 LEU 48 -7.592 15.062 -12.133 409 HD23 LEU 48 HD23 LEU 48 -7.187 16.433 -13.170 410 H VAL 49 HN VAL 49 -10.983 17.590 -8.214 411 HA VAL 49 HA VAL 49 -11.410 15.417 -6.454 412 HB VAL 49 HB VAL 49 -12.554 18.248 -6.347 413 HG11 VAL 49 HG11 VAL 49 -12.498 16.144 -4.146 414 HG12 VAL 49 HG12 VAL 49 -13.939 16.737 -4.976 415 HG13 VAL 49 HG13 VAL 49 -13.008 17.823 -3.945 416 HG21 VAL 49 HG21 VAL 49 -10.751 18.683 -4.701 417 HG22 VAL 49 HG22 VAL 49 -10.081 18.167 -6.250 418 HG23 VAL 49 HG23 VAL 49 -10.161 17.031 -4.902 419 H ASP 50 HN ASP 50 -13.622 17.301 -8.508 420 HA ASP 50 HA ASP 50 -16.044 15.964 -7.855 421 HB2 ASP 50 HB2 ASP 50 -15.909 18.213 -8.955 422 HB3 ASP 50 HB1 ASP 50 -15.307 17.453 -10.417 423 H ALA 51 HN ALA 51 -13.489 15.314 -10.154 424 HA ALA 51 HA ALA 51 -14.953 13.234 -11.590 425 HB1 ALA 51 HB1 ALA 51 -13.595 14.875 -12.838 426 HB2 ALA 51 HB2 ALA 51 -13.007 13.230 -13.089 427 HB3 ALA 51 HB3 ALA 51 -12.146 14.318 -12.000 428 H LYS 52 HN LYS 52 -13.612 13.186 -8.682 429 HA LYS 52 HA LYS 52 -13.046 11.555 -7.216 430 HB2 LYS 52 HB2 LYS 52 -13.553 9.521 -9.422 431 HB3 LYS 52 HB1 LYS 52 -13.596 9.235 -7.682 432 HG2 LYS 52 HG2 LYS 52 -15.547 10.936 -9.278 433 HG3 LYS 52 HG1 LYS 52 -15.854 9.319 -8.639 434 HD2 LYS 52 HD2 LYS 52 -15.743 10.155 -6.346 435 HD3 LYS 52 HD1 LYS 52 -15.250 11.755 -6.912 436 HE2 LYS 52 HE2 LYS 52 -17.655 11.661 -6.280 437 HE3 LYS 52 HE1 LYS 52 -17.423 12.096 -7.975 438 HZ1 LYS 52 HZ1 LYS 52 -18.100 9.377 -6.990 439 HZ2 LYS 52 HZ2 LYS 52 -17.946 9.843 -8.609 440 HZ3 LYS 52 HZ3 LYS 52 -19.199 10.471 -7.663 441 H GLN 53 HN GLN 53 -11.083 12.667 -9.205 442 HA GLN 53 HA GLN 53 -9.011 10.726 -9.621 443 HB2 GLN 53 HB2 GLN 53 -8.914 13.766 -9.809 444 HB3 GLN 53 HB1 GLN 53 -7.706 12.661 -10.448 445 HG2 GLN 53 HG2 GLN 53 -10.583 12.767 -11.397 446 HG3 GLN 53 HG1 GLN 53 -9.259 13.645 -12.156 447 HE21 GLN 53 HE21 GLN 53 -11.024 11.592 -13.263 448 HE22 GLN 53 HE22 GLN 53 -9.989 10.335 -13.839 449 H ILE 54 HN ILE 54 -9.520 13.487 -7.414 450 HA ILE 54 HA ILE 54 -7.571 12.377 -5.491 451 HB ILE 54 HB ILE 54 -6.782 14.714 -4.931 452 HG12 ILE 54 HG12 ILE 54 -8.216 15.477 -7.518 453 HG13 ILE 54 HG11 ILE 54 -8.671 15.990 -5.899 454 HG21 ILE 54 HG21 ILE 54 -5.369 13.243 -6.280 455 HG22 ILE 54 HG22 ILE 54 -5.174 14.925 -6.774 456 HG23 ILE 54 HG23 ILE 54 -6.145 13.825 -7.757 457 HD11 ILE 54 HD11 ILE 54 -7.566 17.772 -7.091 458 HD12 ILE 54 HD12 ILE 54 -6.154 16.755 -7.374 459 HD13 ILE 54 HD13 ILE 54 -6.569 17.253 -5.731 460 H ALA 55 HN ALA 55 -7.763 13.597 -3.359 461 HA ALA 55 HA ALA 55 -10.574 13.694 -2.540 462 HB1 ALA 55 HB1 ALA 55 -9.073 12.167 -1.319 463 HB2 ALA 55 HB2 ALA 55 -9.673 13.431 -0.245 464 HB3 ALA 55 HB3 ALA 55 -8.025 13.518 -0.879 465 HA PRO 56 HA PRO 56 -10.365 18.168 -2.081 466 HB2 PRO 56 HB2 PRO 56 -12.468 18.613 -0.395 467 HB3 PRO 56 HB1 PRO 56 -12.685 18.119 -2.079 468 HG2 PRO 56 HG2 PRO 56 -12.768 16.423 0.411 469 HG3 PRO 56 HG1 PRO 56 -13.876 16.422 -0.977 470 HD2 PRO 56 HD2 PRO 56 -11.875 14.587 -0.697 471 HD3 PRO 56 HD1 PRO 56 -12.438 15.142 -2.288 472 H LEU 57 HN LEU 57 -8.809 19.151 -0.996 473 HA LEU 57 HA LEU 57 -7.809 18.691 1.586 474 HB2 LEU 57 HB2 LEU 57 -7.827 21.258 -0.059 475 HB3 LEU 57 HB1 LEU 57 -6.794 20.965 1.335 476 HG LEU 57 HG LEU 57 -6.676 19.318 -1.226 477 HD11 LEU 57 HD11 LEU 57 -4.896 21.635 -0.407 478 HD12 LEU 57 HD12 LEU 57 -6.071 21.631 -1.727 479 HD13 LEU 57 HD13 LEU 57 -4.658 20.583 -1.807 480 HD21 LEU 57 HD21 LEU 57 -4.740 19.475 1.122 481 HD22 LEU 57 HD22 LEU 57 -4.513 18.524 -0.349 482 HD23 LEU 57 HD23 LEU 57 -5.824 18.127 0.757 483 HA PRO 58 HA PRO 58 -10.889 20.819 4.223 484 HB2 PRO 58 HB2 PRO 58 -9.257 21.555 6.328 485 HB3 PRO 58 HB1 PRO 58 -9.863 19.910 6.101 486 HG2 PRO 58 HG2 PRO 58 -7.185 21.061 5.338 487 HG3 PRO 58 HG1 PRO 58 -7.550 19.518 6.140 488 HD2 PRO 58 HD2 PRO 58 -7.008 19.622 3.498 489 HD3 PRO 58 HD1 PRO 58 -8.208 18.482 4.146 490 H ASP 59 HN ASP 59 -11.279 22.986 5.091 491 HA ASP 59 HA ASP 59 -10.828 24.980 3.192 492 HB2 ASP 59 HB2 ASP 59 -12.764 24.898 4.779 493 HB3 ASP 59 HB1 ASP 59 -11.691 25.339 6.101 494 H SER 60 HN SER 60 -9.188 24.365 6.265 495 HA SER 60 HA SER 60 -7.566 26.675 6.415 496 HB2 SER 60 HB2 SER 60 -6.938 23.900 7.508 497 HB3 SER 60 HB1 SER 60 -6.304 25.436 8.108 498 HG SER 60 HG SER 60 -8.244 25.912 8.979 499 H LYS 61 HN LYS 61 -7.108 23.559 4.774 500 HA LYS 61 HA LYS 61 -4.401 24.299 3.842 501 HB2 LYS 61 HB2 LYS 61 -5.834 21.612 3.968 502 HB3 LYS 61 HB1 LYS 61 -4.358 21.832 3.038 503 HG2 LYS 61 HG2 LYS 61 -3.782 20.867 5.183 504 HG3 LYS 61 HG1 LYS 61 -3.163 22.518 5.111 505 HD2 LYS 61 HD2 LYS 61 -5.258 23.223 6.405 506 HD3 LYS 61 HD1 LYS 61 -5.586 21.510 6.648 507 HE2 LYS 61 HE2 LYS 61 -3.044 22.911 7.539 508 HE3 LYS 61 HE1 LYS 61 -4.441 22.633 8.578 509 HZ1 LYS 61 HZ1 LYS 61 -4.162 20.249 8.196 510 HZ2 LYS 61 HZ2 LYS 61 -2.810 20.942 8.924 511 HZ3 LYS 61 HZ3 LYS 61 -2.771 20.553 7.284 512 H LEU 62 HN LEU 62 -7.361 24.975 2.809 513 HA LEU 62 HA LEU 62 -7.010 24.350 -0.024 514 HB2 LEU 62 HB2 LEU 62 -9.279 24.805 1.444 515 HB3 LEU 62 HB1 LEU 62 -9.019 26.426 0.841 516 HG LEU 62 HG LEU 62 -10.608 25.168 -0.568 517 HD11 LEU 62 HD11 LEU 62 -9.284 26.908 -1.662 518 HD12 LEU 62 HD12 LEU 62 -9.652 25.590 -2.772 519 HD13 LEU 62 HD13 LEU 62 -8.039 25.726 -2.069 520 HD21 LEU 62 HD21 LEU 62 -9.728 22.911 -0.147 521 HD22 LEU 62 HD22 LEU 62 -8.317 23.267 -1.150 522 HD23 LEU 62 HD23 LEU 62 -9.932 23.223 -1.870 523 H ASP 63 HN ASP 63 -4.945 25.184 -0.148 524 HA ASP 63 HA ASP 63 -4.610 28.106 -0.405 525 HB2 ASP 63 HB2 ASP 63 -3.690 27.669 1.769 526 HB3 ASP 63 HB1 ASP 63 -2.966 26.155 1.259 527 H GLY 64 HN GLY 64 -3.053 28.675 -1.965 528 HA2 GLY 64 HA2 GLY 64 -3.081 27.345 -4.349 529 HA3 GLY 64 HA1 GLY 64 -1.866 28.528 -3.916 530 H ALA 65 HN ALA 65 -0.456 27.129 -1.931 531 HA ALA 65 HA ALA 65 1.321 25.540 -3.535 532 HB1 ALA 65 HB1 ALA 65 2.121 26.948 -1.686 533 HB2 ALA 65 HB2 ALA 65 2.610 25.271 -1.450 534 HB3 ALA 65 HB3 ALA 65 1.262 25.936 -0.520 535 H ASN 66 HN ASN 66 -1.122 24.777 -1.068 536 HA ASN 66 HA ASN 66 -0.592 21.964 -0.877 537 HB2 ASN 66 HB2 ASN 66 -3.027 23.607 -0.060 538 HB3 ASN 66 HB1 ASN 66 -2.844 21.893 0.298 539 HD21 ASN 66 HD21 ASN 66 -1.558 25.099 0.983 540 HD22 ASN 66 HD22 ASN 66 -0.791 24.667 2.465 541 H ILE 67 HN ILE 67 -2.779 23.936 -2.817 542 HA ILE 67 HA ILE 67 -4.267 21.934 -4.125 543 HB ILE 67 HB ILE 67 -3.410 24.679 -5.178 544 HG12 ILE 67 HG12 ILE 67 -4.783 24.816 -3.088 545 HG13 ILE 67 HG11 ILE 67 -5.617 25.508 -4.470 546 HG21 ILE 67 HG21 ILE 67 -5.297 24.482 -6.771 547 HG22 ILE 67 HG22 ILE 67 -5.587 22.836 -6.209 548 HG23 ILE 67 HG23 ILE 67 -4.079 23.233 -7.029 549 HD11 ILE 67 HD11 ILE 67 -6.959 23.477 -4.668 550 HD12 ILE 67 HD12 ILE 67 -7.122 24.237 -3.081 551 HD13 ILE 67 HD13 ILE 67 -6.126 22.795 -3.266 552 H LYS 68 HN LYS 68 -1.234 23.576 -4.985 553 HA LYS 68 HA LYS 68 -0.610 22.259 -7.390 554 HB2 LYS 68 HB2 LYS 68 1.171 23.541 -5.286 555 HB3 LYS 68 HB1 LYS 68 1.780 22.970 -6.837 556 HG2 LYS 68 HG2 LYS 68 0.466 24.587 -8.041 557 HG3 LYS 68 HG1 LYS 68 -0.412 25.043 -6.579 558 HD2 LYS 68 HD2 LYS 68 1.712 25.913 -5.611 559 HD3 LYS 68 HD1 LYS 68 2.542 25.520 -7.121 560 HE2 LYS 68 HE2 LYS 68 1.207 27.146 -8.334 561 HE3 LYS 68 HE1 LYS 68 0.189 27.436 -6.919 562 HZ1 LYS 68 HZ1 LYS 68 1.881 29.156 -7.270 563 HZ2 LYS 68 HZ2 LYS 68 3.092 28.001 -7.039 564 HZ3 LYS 68 HZ3 LYS 68 2.041 28.384 -5.776 565 H HIS 69 HN HIS 69 -0.025 21.390 -4.028 566 HA HIS 69 HA HIS 69 1.688 19.173 -4.454 567 HB2 HIS 69 HB2 HIS 69 1.313 20.425 -2.252 568 HB3 HIS 69 HB1 HIS 69 -0.197 19.540 -2.084 569 HD1 HIS 69 HD1 HIS 69 -0.010 17.361 -0.853 570 HD2 HIS 69 HD2 HIS 69 3.650 18.605 -2.386 571 HE1 HIS 69 HE1 HIS 69 1.677 15.712 0.010 572 HE2 HIS 69 HE2 HIS 69 3.854 16.394 -1.053 573 H ARG 70 HN ARG 70 -1.848 19.468 -4.161 574 HA ARG 70 HA ARG 70 -2.559 16.749 -4.388 575 HB2 ARG 70 HB2 ARG 70 -4.006 19.339 -4.922 576 HB3 ARG 70 HB1 ARG 70 -4.725 17.860 -5.540 577 HG2 ARG 70 HG2 ARG 70 -4.090 18.462 -2.641 578 HG3 ARG 70 HG1 ARG 70 -5.692 18.431 -3.388 579 HD2 ARG 70 HD2 ARG 70 -5.296 15.998 -3.947 580 HD3 ARG 70 HD1 ARG 70 -3.801 16.081 -3.007 581 HE ARG 70 HE ARG 70 -6.297 16.849 -1.674 582 HH11 ARG 70 HH11 ARG 70 -3.807 14.393 -2.090 583 HH12 ARG 70 HH12 ARG 70 -4.286 13.503 -0.685 584 HH21 ARG 70 HH21 ARG 70 -6.881 15.690 0.173 585 HH22 ARG 70 HH22 ARG 70 -6.015 14.260 0.612 586 H LEU 71 HN LEU 71 -2.153 19.228 -6.892 587 HA LEU 71 HA LEU 71 -2.838 17.627 -9.121 588 HB2 LEU 71 HB2 LEU 71 -1.013 20.059 -9.079 589 HB3 LEU 71 HB1 LEU 71 -1.814 19.389 -10.486 590 HG LEU 71 HG LEU 71 -3.037 20.951 -8.199 591 HD11 LEU 71 HD11 LEU 71 -3.156 21.370 -11.195 592 HD12 LEU 71 HD12 LEU 71 -2.110 22.233 -10.063 593 HD13 LEU 71 HD13 LEU 71 -3.859 22.413 -9.949 594 HD21 LEU 71 HD21 LEU 71 -4.537 19.060 -8.508 595 HD22 LEU 71 HD22 LEU 71 -4.596 19.349 -10.248 596 HD23 LEU 71 HD23 LEU 71 -5.278 20.533 -9.129 597 H ALA 72 HN ALA 72 0.185 18.248 -7.455 598 HA ALA 72 HA ALA 72 2.027 17.208 -9.315 599 HB1 ALA 72 HB1 ALA 72 2.290 17.396 -6.302 600 HB2 ALA 72 HB2 ALA 72 2.665 18.682 -7.450 601 HB3 ALA 72 HB3 ALA 72 3.617 17.195 -7.456 602 H LEU 73 HN LEU 73 0.717 15.713 -6.317 603 HA LEU 73 HA LEU 73 1.894 13.156 -6.872 604 HB2 LEU 73 HB2 LEU 73 -0.127 14.008 -4.793 605 HB3 LEU 73 HB1 LEU 73 0.360 12.332 -4.989 606 HG LEU 73 HG LEU 73 2.795 13.200 -4.670 607 HD11 LEU 73 HD11 LEU 73 3.035 15.218 -3.293 608 HD12 LEU 73 HD12 LEU 73 1.309 15.560 -3.498 609 HD13 LEU 73 HD13 LEU 73 2.389 15.573 -4.897 610 HD21 LEU 73 HD21 LEU 73 2.634 12.999 -2.230 611 HD22 LEU 73 HD22 LEU 73 1.672 11.774 -3.057 612 HD23 LEU 73 HD23 LEU 73 0.878 13.173 -2.326 613 H TRP 74 HN TRP 74 -1.196 14.627 -7.667 614 HA TRP 74 HA TRP 74 -2.662 12.330 -8.375 615 HB2 TRP 74 HB2 TRP 74 -3.845 14.462 -8.367 616 HB3 TRP 74 HB1 TRP 74 -2.767 15.138 -9.586 617 HD1 TRP 74 HD1 TRP 74 -5.287 12.165 -9.334 618 HE1 TRP 74 HE1 TRP 74 -6.417 11.873 -11.621 619 HE3 TRP 74 HE3 TRP 74 -2.844 15.829 -11.943 620 HZ2 TRP 74 HZ2 TRP 74 -6.310 13.020 -14.176 621 HZ3 TRP 74 HZ3 TRP 74 -3.420 16.170 -14.315 622 HH2 TRP 74 HH2 TRP 74 -5.123 14.790 -15.409 623 H ILE 75 HN ILE 75 -0.730 14.503 -10.455 624 HA ILE 75 HA ILE 75 -0.960 12.858 -12.757 625 HB ILE 75 HB ILE 75 -0.587 15.340 -12.862 626 HG12 ILE 75 HG12 ILE 75 0.872 15.293 -14.867 627 HG13 ILE 75 HG11 ILE 75 1.465 13.700 -14.423 628 HG21 ILE 75 HG21 ILE 75 1.690 16.270 -12.673 629 HG22 ILE 75 HG22 ILE 75 2.291 14.703 -12.127 630 HG23 ILE 75 HG23 ILE 75 1.136 15.596 -11.137 631 HD11 ILE 75 HD11 ILE 75 -0.765 12.765 -14.789 632 HD12 ILE 75 HD12 ILE 75 -0.180 13.614 -16.221 633 HD13 ILE 75 HD13 ILE 75 -1.381 14.375 -15.179 634 H HIS 76 HN HIS 76 1.394 13.082 -10.154 635 HA HIS 76 HA HIS 76 3.480 11.534 -11.301 636 HB2 HIS 76 HB2 HIS 76 3.592 13.055 -9.225 637 HB3 HIS 76 HB1 HIS 76 2.858 11.736 -8.326 638 HD1 HIS 76 HD1 HIS 76 4.656 10.721 -6.969 639 HD2 HIS 76 HD2 HIS 76 5.987 11.724 -10.769 640 HE1 HIS 76 HE1 HIS 76 7.062 10.027 -7.047 641 HE2 HIS 76 HE2 HIS 76 7.894 10.861 -9.267 642 H ALA 77 HN ALA 77 0.530 10.719 -9.567 643 HA ALA 77 HA ALA 77 1.005 7.850 -9.494 644 HB1 ALA 77 HB1 ALA 77 -0.323 8.948 -7.734 645 HB2 ALA 77 HB2 ALA 77 -1.291 7.738 -8.581 646 HB3 ALA 77 HB3 ALA 77 -1.513 9.456 -8.933 647 H ALA 78 HN ALA 78 -0.600 10.161 -11.593 648 HA ALA 78 HA ALA 78 -2.232 8.305 -13.059 649 HB1 ALA 78 HB1 ALA 78 -1.469 11.167 -13.764 650 HB2 ALA 78 HB2 ALA 78 -2.883 10.679 -12.829 651 HB3 ALA 78 HB3 ALA 78 -2.752 10.217 -14.527 652 H LEU 79 HN LEU 79 0.957 9.694 -13.446 653 HA LEU 79 HA LEU 79 1.548 8.810 -16.070 654 HB2 LEU 79 HB2 LEU 79 3.344 9.486 -13.714 655 HB3 LEU 79 HB1 LEU 79 3.963 9.115 -15.317 656 HG LEU 79 HG LEU 79 2.109 11.449 -14.701 657 HD11 LEU 79 HD11 LEU 79 4.061 12.912 -14.938 658 HD12 LEU 79 HD12 LEU 79 5.112 11.500 -15.069 659 HD13 LEU 79 HD13 LEU 79 4.224 11.807 -13.573 660 HD21 LEU 79 HD21 LEU 79 3.662 10.834 -17.235 661 HD22 LEU 79 HD22 LEU 79 2.689 12.277 -16.935 662 HD23 LEU 79 HD23 LEU 79 1.913 10.699 -17.021 663 HA PRO 80 HA PRO 80 1.581 4.390 -14.897 664 HB2 PRO 80 HB2 PRO 80 2.640 4.106 -17.699 665 HB3 PRO 80 HB1 PRO 80 1.266 3.302 -16.931 666 HG2 PRO 80 HG2 PRO 80 0.841 5.229 -18.710 667 HG3 PRO 80 HG1 PRO 80 -0.157 5.141 -17.242 668 HD2 PRO 80 HD2 PRO 80 2.192 6.950 -17.828 669 HD3 PRO 80 HD1 PRO 80 0.619 7.351 -17.097 670 H ASP 81 HN ASP 81 4.219 6.145 -16.381 671 HA ASP 81 HA ASP 81 6.293 4.236 -15.788 672 HB2 ASP 81 HB2 ASP 81 6.336 5.797 -17.763 673 HB3 ASP 81 HB1 ASP 81 6.532 7.153 -16.654 674 H ASN 82 HN ASN 82 4.711 6.772 -14.079 675 HA ASN 82 HA ASN 82 4.898 7.716 -12.026 676 HB2 ASN 82 HB2 ASN 82 6.745 5.347 -11.475 677 HB3 ASN 82 HB1 ASN 82 6.182 6.460 -10.235 678 HD21 ASN 82 HD21 ASN 82 5.212 3.929 -12.458 679 HD22 ASN 82 HD22 ASN 82 3.722 3.546 -11.673 680 H ASP 83 HN ASP 83 6.709 8.543 -14.177 681 HA ASP 83 HA ASP 83 9.345 9.009 -13.202 682 HB2 ASP 83 HB2 ASP 83 9.638 10.375 -15.233 683 HB3 ASP 83 HB1 ASP 83 8.838 8.859 -15.609 684 HA PRO 84 HA PRO 84 8.625 12.767 -10.866 685 HB2 PRO 84 HB2 PRO 84 11.148 13.666 -10.515 686 HB3 PRO 84 HB1 PRO 84 10.627 12.112 -9.850 687 HG2 PRO 84 HG2 PRO 84 12.284 12.672 -12.288 688 HG3 PRO 84 HG1 PRO 84 12.442 11.362 -11.102 689 HD2 PRO 84 HD2 PRO 84 11.183 11.166 -13.613 690 HD3 PRO 84 HD1 PRO 84 11.007 10.012 -12.279 691 H LEU 85 HN LEU 85 9.266 12.965 -14.115 692 HA LEU 85 HA LEU 85 9.551 14.530 -15.722 693 HB2 LEU 85 HB2 LEU 85 8.208 16.339 -13.687 694 HB3 LEU 85 HB1 LEU 85 8.567 16.814 -15.332 695 HG LEU 85 HG LEU 85 7.129 14.794 -16.049 696 HD11 LEU 85 HD11 LEU 85 6.228 15.024 -13.187 697 HD12 LEU 85 HD12 LEU 85 6.883 13.611 -14.001 698 HD13 LEU 85 HD13 LEU 85 5.294 14.227 -14.447 699 HD21 LEU 85 HD21 LEU 85 5.078 16.132 -15.994 700 HD22 LEU 85 HD22 LEU 85 6.475 17.118 -16.417 701 HD23 LEU 85 HD23 LEU 85 5.793 17.209 -14.790 702 H LYS 86 HN LYS 86 11.722 14.019 -13.953 703 HA LYS 86 HA LYS 86 13.219 16.373 -13.382 704 HB2 LYS 86 HB2 LYS 86 13.593 14.111 -12.352 705 HB3 LYS 86 HB1 LYS 86 14.219 13.523 -13.881 706 HG2 LYS 86 HG2 LYS 86 15.510 15.853 -12.423 707 HG3 LYS 86 HG1 LYS 86 15.888 14.183 -12.006 708 HD2 LYS 86 HD2 LYS 86 16.709 13.774 -14.292 709 HD3 LYS 86 HD1 LYS 86 16.275 15.416 -14.764 710 HE2 LYS 86 HE2 LYS 86 17.924 16.296 -13.115 711 HE3 LYS 86 HE1 LYS 86 18.395 14.637 -12.728 712 HZ1 LYS 86 HZ1 LYS 86 18.605 15.910 -15.411 713 HZ2 LYS 86 HZ2 LYS 86 19.090 14.337 -15.019 714 HZ3 LYS 86 HZ3 LYS 86 19.893 15.662 -14.341 Start of MODEL 13 1 H MET 1 HT1 MET 1 -2.850 -0.981 -5.300 2 HA MET 1 HA MET 1 -2.572 0.989 -6.603 3 HB2 MET 1 HB2 MET 1 -2.256 3.191 -5.557 4 HB3 MET 1 HB1 MET 1 -3.823 2.530 -5.116 5 HG2 MET 1 HG2 MET 1 -2.742 1.769 -2.935 6 HG3 MET 1 HG1 MET 1 -1.357 2.760 -3.392 7 HE1 MET 1 HE1 MET 1 -5.589 4.408 -2.501 8 HE2 MET 1 HE2 MET 1 -5.125 2.721 -2.279 9 HE3 MET 1 HE3 MET 1 -5.252 3.398 -3.905 10 H SER 2 HN SER 2 -0.443 1.720 -7.117 11 HA SER 2 HA SER 2 1.777 0.843 -5.398 12 HB2 SER 2 HB2 SER 2 2.848 -0.243 -7.427 13 HB3 SER 2 HB1 SER 2 1.408 -1.072 -6.834 14 HG SER 2 HG SER 2 1.368 -0.844 -9.104 15 H LYS 3 HN LYS 3 1.747 3.184 -5.106 16 HA LYS 3 HA LYS 3 2.800 4.838 -7.286 17 HB2 LYS 3 HB2 LYS 3 1.027 5.790 -5.876 18 HB3 LYS 3 HB1 LYS 3 1.969 5.483 -4.422 19 HG2 LYS 3 HG2 LYS 3 3.634 7.146 -5.125 20 HG3 LYS 3 HG1 LYS 3 2.748 7.420 -6.626 21 HD2 LYS 3 HD2 LYS 3 2.324 9.211 -4.948 22 HD3 LYS 3 HD1 LYS 3 0.846 8.358 -5.390 23 HE2 LYS 3 HE2 LYS 3 0.969 8.797 -2.959 24 HE3 LYS 3 HE1 LYS 3 0.936 7.068 -3.302 25 HZ1 LYS 3 HZ1 LYS 3 2.547 7.619 -1.601 26 HZ2 LYS 3 HZ2 LYS 3 3.362 8.653 -2.658 27 HZ3 LYS 3 HZ3 LYS 3 3.325 6.991 -2.965 28 H THR 4 HN THR 4 4.943 5.425 -7.427 29 HA THR 4 HA THR 4 6.828 4.762 -5.252 30 HB THR 4 HB THR 4 8.397 3.815 -7.113 31 HG1 THR 4 HG1 THR 4 5.866 3.669 -8.416 32 HG21 THR 4 HG21 THR 4 7.488 1.533 -6.944 33 HG22 THR 4 HG22 THR 4 5.964 2.175 -6.328 34 HG23 THR 4 HG23 THR 4 7.443 2.349 -5.379 35 H ALA 5 HN ALA 5 9.067 5.508 -5.841 36 HA ALA 5 HA ALA 5 10.629 7.004 -6.381 37 HB1 ALA 5 HB1 ALA 5 10.575 8.148 -8.539 38 HB2 ALA 5 HB2 ALA 5 8.864 7.751 -8.724 39 HB3 ALA 5 HB3 ALA 5 10.071 6.465 -8.702 40 H LYS 6 HN LYS 6 10.891 9.555 -7.033 41 HA LYS 6 HA LYS 6 9.599 10.789 -4.679 42 HB2 LYS 6 HB2 LYS 6 12.366 11.290 -5.840 43 HB3 LYS 6 HB1 LYS 6 11.677 12.160 -4.477 44 HG2 LYS 6 HG2 LYS 6 13.042 10.591 -3.424 45 HG3 LYS 6 HG1 LYS 6 11.458 9.820 -3.350 46 HD2 LYS 6 HD2 LYS 6 12.074 8.458 -5.367 47 HD3 LYS 6 HD1 LYS 6 13.678 9.197 -5.338 48 HE2 LYS 6 HE2 LYS 6 12.473 7.469 -3.150 49 HE3 LYS 6 HE1 LYS 6 13.710 6.967 -4.302 50 HZ1 LYS 6 HZ1 LYS 6 14.631 7.561 -2.140 51 HZ2 LYS 6 HZ2 LYS 6 14.030 9.132 -2.294 52 HZ3 LYS 6 HZ3 LYS 6 15.217 8.576 -3.356 53 H LEU 7 HN LEU 7 8.723 12.748 -4.738 54 HA LEU 7 HA LEU 7 8.066 14.063 -7.213 55 HB2 LEU 7 HB2 LEU 7 6.455 13.963 -5.365 56 HB3 LEU 7 HB1 LEU 7 7.584 14.758 -4.289 57 HG LEU 7 HG LEU 7 7.374 16.840 -5.764 58 HD11 LEU 7 HD11 LEU 7 5.042 15.338 -6.962 59 HD12 LEU 7 HD12 LEU 7 6.538 15.787 -7.788 60 HD13 LEU 7 HD13 LEU 7 5.437 17.039 -7.222 61 HD21 LEU 7 HD21 LEU 7 5.224 17.559 -4.788 62 HD22 LEU 7 HD22 LEU 7 6.199 16.694 -3.603 63 HD23 LEU 7 HD23 LEU 7 4.836 15.886 -4.379 64 H ASN 8 HN ASN 8 9.846 15.025 -8.198 65 HA ASN 8 HA ASN 8 11.417 16.988 -6.621 66 HB2 ASN 8 HB2 ASN 8 12.775 15.069 -7.480 67 HB3 ASN 8 HB1 ASN 8 12.306 15.492 -9.124 68 HD21 ASN 8 HD21 ASN 8 14.407 15.941 -9.818 69 HD22 ASN 8 HD22 ASN 8 15.310 17.308 -9.269 70 H ASN 9 HN ASN 9 11.442 19.040 -7.279 71 HA ASN 9 HA ASN 9 10.645 20.982 -8.111 72 HB2 ASN 9 HB2 ASN 9 10.983 19.706 -10.855 73 HB3 ASN 9 HB1 ASN 9 10.924 21.422 -10.496 74 HD21 ASN 9 HD21 ASN 9 12.764 22.437 -9.696 75 HD22 ASN 9 HD22 ASN 9 14.311 21.666 -9.656 76 H GLU 10 HN GLU 10 8.599 20.612 -7.166 77 HA GLU 10 HA GLU 10 6.448 19.163 -8.109 78 HB2 GLU 10 HB2 GLU 10 6.561 20.208 -5.870 79 HB3 GLU 10 HB1 GLU 10 6.374 21.803 -6.588 80 HG2 GLU 10 HG2 GLU 10 4.114 21.144 -7.390 81 HG3 GLU 10 HG1 GLU 10 4.305 19.579 -6.611 82 H GLU 11 HN GLU 11 7.506 22.332 -9.074 83 HA GLU 11 HA GLU 11 5.296 23.484 -10.259 84 HB2 GLU 11 HB2 GLU 11 8.228 23.710 -11.044 85 HB3 GLU 11 HB1 GLU 11 6.974 24.768 -11.668 86 HG2 GLU 11 HG2 GLU 11 8.096 25.949 -9.937 87 HG3 GLU 11 HG1 GLU 11 6.510 25.513 -9.312 88 H LYS 12 HN LYS 12 7.592 21.197 -11.654 89 HA LYS 12 HA LYS 12 6.766 21.330 -14.359 90 HB2 LYS 12 HB2 LYS 12 8.033 18.923 -12.987 91 HB3 LYS 12 HB1 LYS 12 8.086 19.318 -14.702 92 HG2 LYS 12 HG2 LYS 12 9.320 21.489 -13.929 93 HG3 LYS 12 HG1 LYS 12 9.561 20.626 -12.413 94 HD2 LYS 12 HD2 LYS 12 10.590 19.867 -15.167 95 HD3 LYS 12 HD1 LYS 12 11.539 20.357 -13.766 96 HE2 LYS 12 HE2 LYS 12 9.961 17.776 -14.042 97 HE3 LYS 12 HE1 LYS 12 11.708 17.938 -14.161 98 HZ1 LYS 12 HZ1 LYS 12 11.774 18.604 -11.854 99 HZ2 LYS 12 HZ2 LYS 12 11.014 17.103 -12.017 100 HZ3 LYS 12 HZ3 LYS 12 10.090 18.490 -11.735 101 H LEU 13 HN LEU 13 5.752 19.374 -11.642 102 HA LEU 13 HA LEU 13 4.028 17.618 -13.140 103 HB2 LEU 13 HB2 LEU 13 4.339 18.044 -10.143 104 HB3 LEU 13 HB1 LEU 13 3.350 16.795 -10.883 105 HG LEU 13 HG LEU 13 5.686 16.178 -12.080 106 HD11 LEU 13 HD11 LEU 13 6.985 17.980 -11.060 107 HD12 LEU 13 HD12 LEU 13 7.608 16.392 -10.623 108 HD13 LEU 13 HD13 LEU 13 6.660 17.318 -9.454 109 HD21 LEU 13 HD21 LEU 13 4.370 14.594 -10.843 110 HD22 LEU 13 HD22 LEU 13 4.895 15.282 -9.308 111 HD23 LEU 13 HD23 LEU 13 6.058 14.459 -10.351 112 H VAL 14 HN VAL 14 3.650 20.555 -11.268 113 HA VAL 14 HA VAL 14 0.814 20.616 -11.073 114 HB VAL 14 HB VAL 14 2.789 22.947 -11.125 115 HG11 VAL 14 HG11 VAL 14 0.994 24.276 -10.016 116 HG12 VAL 14 HG12 VAL 14 -0.127 22.927 -10.219 117 HG13 VAL 14 HG13 VAL 14 0.517 23.760 -11.635 118 HG21 VAL 14 HG21 VAL 14 3.231 21.372 -9.298 119 HG22 VAL 14 HG22 VAL 14 1.554 21.475 -8.770 120 HG23 VAL 14 HG23 VAL 14 2.600 22.892 -8.663 121 H LYS 15 HN LYS 15 3.066 22.204 -13.350 122 HA LYS 15 HA LYS 15 1.173 23.337 -15.093 123 HB2 LYS 15 HB2 LYS 15 4.015 22.418 -15.707 124 HB3 LYS 15 HB1 LYS 15 3.066 23.510 -16.715 125 HG2 LYS 15 HG2 LYS 15 3.106 25.233 -15.015 126 HG3 LYS 15 HG1 LYS 15 3.819 24.127 -13.838 127 HD2 LYS 15 HD2 LYS 15 5.836 23.959 -15.405 128 HD3 LYS 15 HD1 LYS 15 5.132 25.296 -16.317 129 HE2 LYS 15 HE2 LYS 15 5.262 26.743 -14.344 130 HE3 LYS 15 HE1 LYS 15 5.853 25.400 -13.365 131 HZ1 LYS 15 HZ1 LYS 15 7.828 25.316 -14.745 132 HZ2 LYS 15 HZ2 LYS 15 7.644 26.849 -14.056 133 HZ3 LYS 15 HZ3 LYS 15 7.257 26.600 -15.686 134 H LYS 16 HN LYS 16 2.827 20.191 -15.133 135 HA LYS 16 HA LYS 16 1.787 19.128 -17.517 136 HB2 LYS 16 HB2 LYS 16 3.639 18.088 -16.280 137 HB3 LYS 16 HB1 LYS 16 2.574 17.709 -14.943 138 HG2 LYS 16 HG2 LYS 16 3.018 15.710 -16.224 139 HG3 LYS 16 HG1 LYS 16 1.318 16.147 -16.408 140 HD2 LYS 16 HD2 LYS 16 1.759 17.075 -18.625 141 HD3 LYS 16 HD1 LYS 16 3.491 16.788 -18.435 142 HE2 LYS 16 HE2 LYS 16 3.065 14.352 -18.352 143 HE3 LYS 16 HE1 LYS 16 1.336 14.650 -18.551 144 HZ1 LYS 16 HZ1 LYS 16 3.468 15.331 -20.499 145 HZ2 LYS 16 HZ2 LYS 16 1.827 15.681 -20.698 146 HZ3 LYS 16 HZ3 LYS 16 2.349 14.071 -20.644 147 H ALA 17 HN ALA 17 0.484 19.126 -14.211 148 HA ALA 17 HA ALA 17 -1.809 17.492 -14.787 149 HB1 ALA 17 HB1 ALA 17 -0.863 17.612 -12.522 150 HB2 ALA 17 HB2 ALA 17 -2.561 18.089 -12.526 151 HB3 ALA 17 HB3 ALA 17 -1.297 19.320 -12.422 152 H LEU 18 HN LEU 18 -1.101 20.919 -14.994 153 HA LEU 18 HA LEU 18 -3.798 21.828 -15.313 154 HB2 LEU 18 HB2 LEU 18 -1.280 23.132 -16.424 155 HB3 LEU 18 HB1 LEU 18 -2.856 23.889 -16.236 156 HG LEU 18 HG LEU 18 -0.933 23.084 -14.041 157 HD11 LEU 18 HD11 LEU 18 -0.894 25.459 -13.476 158 HD12 LEU 18 HD12 LEU 18 -1.996 25.809 -14.810 159 HD13 LEU 18 HD13 LEU 18 -0.378 25.192 -15.141 160 HD21 LEU 18 HD21 LEU 18 -2.566 23.919 -12.416 161 HD22 LEU 18 HD22 LEU 18 -3.166 22.510 -13.280 162 HD23 LEU 18 HD23 LEU 18 -3.756 24.119 -13.706 163 H GLU 19 HN GLU 19 -1.261 20.659 -17.471 164 HA GLU 19 HA GLU 19 -2.633 21.089 -19.923 165 HB2 GLU 19 HB2 GLU 19 -0.444 19.065 -19.284 166 HB3 GLU 19 HB1 GLU 19 -0.967 19.518 -20.904 167 HG2 GLU 19 HG2 GLU 19 -0.207 21.859 -20.441 168 HG3 GLU 19 HG1 GLU 19 0.400 21.317 -18.881 169 H ILE 20 HN ILE 20 -2.225 18.163 -17.924 170 HA ILE 20 HA ILE 20 -3.807 16.491 -19.603 171 HB ILE 20 HB ILE 20 -2.957 15.982 -16.715 172 HG12 ILE 20 HG12 ILE 20 -0.968 16.328 -18.101 173 HG13 ILE 20 HG11 ILE 20 -1.098 14.619 -17.710 174 HG21 ILE 20 HG21 ILE 20 -3.940 14.021 -18.825 175 HG22 ILE 20 HG22 ILE 20 -4.798 14.500 -17.361 176 HG23 ILE 20 HG23 ILE 20 -3.304 13.573 -17.235 177 HD11 ILE 20 HD11 ILE 20 -1.835 15.905 -20.348 178 HD12 ILE 20 HD12 ILE 20 -1.986 14.188 -19.962 179 HD13 ILE 20 HD13 ILE 20 -0.396 14.944 -20.005 180 H GLY 21 HN GLY 21 -4.387 17.820 -16.323 181 HA2 GLY 21 HA2 GLY 21 -7.082 16.972 -16.100 182 HA3 GLY 21 HA1 GLY 21 -6.308 18.208 -15.120 183 H GLY 22 HN GLY 22 -5.591 19.881 -17.433 184 HA2 GLY 22 HA2 GLY 22 -7.901 21.482 -17.771 185 HA3 GLY 22 HA1 GLY 22 -6.413 21.602 -18.690 186 H LYS 23 HN LYS 23 -6.224 19.321 -20.124 187 HA LYS 23 HA LYS 23 -8.231 19.678 -22.132 188 HB2 LYS 23 HB2 LYS 23 -7.076 17.944 -23.453 189 HB3 LYS 23 HB1 LYS 23 -5.983 19.177 -22.871 190 HG2 LYS 23 HG2 LYS 23 -4.726 17.236 -22.642 191 HG3 LYS 23 HG1 LYS 23 -5.346 17.495 -21.016 192 HD2 LYS 23 HD2 LYS 23 -7.096 15.781 -21.434 193 HD3 LYS 23 HD1 LYS 23 -6.432 15.507 -23.047 194 HE2 LYS 23 HE2 LYS 23 -4.342 14.692 -22.081 195 HE3 LYS 23 HE1 LYS 23 -4.886 15.114 -20.457 196 HZ1 LYS 23 HZ1 LYS 23 -5.157 12.787 -20.798 197 HZ2 LYS 23 HZ2 LYS 23 -6.040 13.031 -22.217 198 HZ3 LYS 23 HZ3 LYS 23 -6.692 13.490 -20.733 199 H MET 24 HN MET 24 -7.770 17.363 -19.576 200 HA MET 24 HA MET 24 -9.619 15.370 -20.354 201 HB2 MET 24 HB2 MET 24 -8.490 16.229 -17.677 202 HB3 MET 24 HB1 MET 24 -9.784 15.044 -17.725 203 HG2 MET 24 HG2 MET 24 -8.404 13.504 -18.976 204 HG3 MET 24 HG1 MET 24 -7.136 14.716 -19.144 205 HE1 MET 24 HE1 MET 24 -9.075 12.414 -16.529 206 HE2 MET 24 HE2 MET 24 -9.272 14.038 -15.865 207 HE3 MET 24 HE3 MET 24 -8.248 12.865 -15.038 208 H ALA 25 HN ALA 25 -10.017 18.125 -18.087 209 HA ALA 25 HA ALA 25 -12.770 18.012 -17.668 210 HB1 ALA 25 HB1 ALA 25 -12.611 20.391 -17.012 211 HB2 ALA 25 HB2 ALA 25 -11.009 20.492 -17.748 212 HB3 ALA 25 HB3 ALA 25 -11.270 19.452 -16.347 213 H LYS 26 HN LYS 26 -10.923 19.673 -20.154 214 HA LYS 26 HA LYS 26 -12.964 21.128 -21.371 215 HB2 LYS 26 HB2 LYS 26 -10.551 21.554 -21.648 216 HB3 LYS 26 HB1 LYS 26 -10.376 20.059 -22.559 217 HG2 LYS 26 HG2 LYS 26 -11.607 20.949 -24.415 218 HG3 LYS 26 HG1 LYS 26 -12.140 22.344 -23.475 219 HD2 LYS 26 HD2 LYS 26 -10.317 22.912 -25.080 220 HD3 LYS 26 HD1 LYS 26 -9.877 23.240 -23.405 221 HE2 LYS 26 HE2 LYS 26 -7.998 22.229 -24.616 222 HE3 LYS 26 HE1 LYS 26 -8.556 21.154 -23.337 223 HZ1 LYS 26 HZ1 LYS 26 -9.763 19.873 -25.007 224 HZ2 LYS 26 HZ2 LYS 26 -8.112 19.949 -25.367 225 HZ3 LYS 26 HZ3 LYS 26 -9.208 20.910 -26.222 226 H MET 27 HN MET 27 -11.634 17.953 -22.227 227 HA MET 27 HA MET 27 -13.410 17.323 -24.353 228 HB2 MET 27 HB2 MET 27 -11.712 15.547 -22.576 229 HB3 MET 27 HB1 MET 27 -12.602 14.948 -23.974 230 HG2 MET 27 HG2 MET 27 -11.278 16.496 -25.425 231 HG3 MET 27 HG1 MET 27 -10.325 16.942 -24.013 232 HE1 MET 27 HE1 MET 27 -10.257 13.877 -22.592 233 HE2 MET 27 HE2 MET 27 -8.970 15.083 -22.564 234 HE3 MET 27 HE3 MET 27 -8.636 13.450 -23.143 235 H GLN 28 HN GLN 28 -13.633 16.853 -20.853 236 HA GLN 28 HA GLN 28 -15.892 15.108 -20.839 237 HB2 GLN 28 HB2 GLN 28 -14.793 17.021 -18.747 238 HB3 GLN 28 HB1 GLN 28 -16.196 15.998 -18.438 239 HG2 GLN 28 HG2 GLN 28 -13.396 15.029 -19.100 240 HG3 GLN 28 HG1 GLN 28 -14.118 15.060 -17.495 241 HE21 GLN 28 HE21 GLN 28 -13.067 12.805 -19.108 242 HE22 GLN 28 HE22 GLN 28 -14.353 11.657 -19.182 243 H GLY 29 HN GLY 29 -15.480 18.576 -21.112 244 HA2 GLY 29 HA2 GLY 29 -17.322 19.476 -22.640 245 HA3 GLY 29 HA1 GLY 29 -18.419 18.981 -21.355 246 H PHE 30 HN PHE 30 -15.214 20.495 -21.128 247 HA PHE 30 HA PHE 30 -16.414 22.933 -19.936 248 HB2 PHE 30 HB2 PHE 30 -14.071 21.353 -18.765 249 HB3 PHE 30 HB1 PHE 30 -14.576 22.943 -18.211 250 HD1 PHE 30 HD1 PHE 30 -16.926 23.192 -17.208 251 HD2 PHE 30 HD2 PHE 30 -15.087 19.385 -17.848 252 HE1 PHE 30 HE1 PHE 30 -18.477 22.163 -15.598 253 HE2 PHE 30 HE2 PHE 30 -16.645 18.365 -16.239 254 HZ PHE 30 HZ PHE 30 -18.341 19.754 -15.113 255 H ASP 31 HN ASP 31 -14.302 24.405 -19.426 256 HA ASP 31 HA ASP 31 -12.044 24.259 -21.094 257 HB2 ASP 31 HB2 ASP 31 -12.397 26.257 -22.524 258 HB3 ASP 31 HB1 ASP 31 -13.565 25.002 -22.896 259 H LEU 32 HN LEU 32 -10.644 24.884 -19.560 260 HA LEU 32 HA LEU 32 -11.524 26.477 -17.306 261 HB2 LEU 32 HB2 LEU 32 -8.806 25.208 -17.807 262 HB3 LEU 32 HB1 LEU 32 -9.386 25.844 -16.273 263 HG LEU 32 HG LEU 32 -10.418 23.369 -17.725 264 HD11 LEU 32 HD11 LEU 32 -8.992 23.614 -15.060 265 HD12 LEU 32 HD12 LEU 32 -8.298 23.006 -16.564 266 HD13 LEU 32 HD13 LEU 32 -9.605 22.122 -15.784 267 HD21 LEU 32 HD21 LEU 32 -11.482 24.578 -15.145 268 HD22 LEU 32 HD22 LEU 32 -11.947 23.015 -15.820 269 HD23 LEU 32 HD23 LEU 32 -12.331 24.494 -16.693 270 HA PRO 33 HA PRO 33 -10.047 30.400 -18.805 271 HB2 PRO 33 HB2 PRO 33 -9.490 31.250 -15.995 272 HB3 PRO 33 HB1 PRO 33 -10.663 31.895 -17.151 273 HG2 PRO 33 HG2 PRO 33 -11.450 30.432 -15.021 274 HG3 PRO 33 HG1 PRO 33 -12.292 30.336 -16.582 275 HD2 PRO 33 HD2 PRO 33 -10.269 28.430 -15.398 276 HD3 PRO 33 HD1 PRO 33 -11.791 28.075 -16.249 277 H GLN 34 HN GLN 34 -8.108 30.394 -19.837 278 HA GLN 34 HA GLN 34 -5.664 29.569 -18.442 279 HB2 GLN 34 HB2 GLN 34 -6.193 30.130 -21.385 280 HB3 GLN 34 HB1 GLN 34 -4.649 29.581 -20.732 281 HG2 GLN 34 HG2 GLN 34 -5.844 27.539 -19.855 282 HG3 GLN 34 HG1 GLN 34 -7.272 28.066 -20.741 283 HE21 GLN 34 HE21 GLN 34 -4.024 26.796 -21.031 284 HE22 GLN 34 HE22 GLN 34 -4.128 26.343 -22.696 285 H SER 35 HN SER 35 -7.161 32.484 -19.519 286 HA SER 35 HA SER 35 -4.853 34.003 -20.115 287 HB2 SER 35 HB2 SER 35 -6.504 36.001 -19.913 288 HB3 SER 35 HB1 SER 35 -6.817 34.780 -21.151 289 HG SER 35 HG SER 35 -8.327 35.502 -18.998 290 HA PRO 36 HA PRO 36 -5.005 35.849 -15.581 291 HB2 PRO 36 HB2 PRO 36 -6.247 33.663 -13.947 292 HB3 PRO 36 HB1 PRO 36 -6.494 35.413 -13.848 293 HG2 PRO 36 HG2 PRO 36 -8.400 33.816 -14.873 294 HG3 PRO 36 HG1 PRO 36 -8.078 35.419 -15.567 295 HD2 PRO 36 HD2 PRO 36 -7.152 32.712 -16.570 296 HD3 PRO 36 HD1 PRO 36 -7.864 34.065 -17.477 297 H GLN 37 HN GLN 37 -4.988 32.284 -15.572 298 HA GLN 37 HA GLN 37 -3.269 30.830 -15.737 299 HB2 GLN 37 HB2 GLN 37 -1.437 32.989 -14.681 300 HB3 GLN 37 HB1 GLN 37 -0.912 31.311 -14.783 301 HG2 GLN 37 HG2 GLN 37 -1.875 32.982 -17.134 302 HG3 GLN 37 HG1 GLN 37 -0.186 32.670 -16.732 303 HE21 GLN 37 HE21 GLN 37 -1.653 32.001 -19.181 304 HE22 GLN 37 HE22 GLN 37 -1.501 30.290 -19.375 305 HA PRO 38 HA PRO 38 -2.534 29.976 -10.984 306 HB2 PRO 38 HB2 PRO 38 -3.663 31.629 -9.103 307 HB3 PRO 38 HB1 PRO 38 -2.029 31.875 -9.736 308 HG2 PRO 38 HG2 PRO 38 -4.611 33.183 -10.634 309 HG3 PRO 38 HG1 PRO 38 -3.065 33.961 -10.209 310 HD2 PRO 38 HD2 PRO 38 -3.696 33.521 -12.768 311 HD3 PRO 38 HD1 PRO 38 -2.027 33.258 -12.218 312 H VAL 39 HN VAL 39 -5.467 31.317 -12.234 313 HA VAL 39 HA VAL 39 -7.382 29.980 -10.616 314 HB VAL 39 HB VAL 39 -9.030 30.644 -12.311 315 HG11 VAL 39 HG11 VAL 39 -8.665 33.095 -12.280 316 HG12 VAL 39 HG12 VAL 39 -6.988 32.836 -11.792 317 HG13 VAL 39 HG13 VAL 39 -8.302 32.356 -10.717 318 HG21 VAL 39 HG21 VAL 39 -7.769 30.138 -14.362 319 HG22 VAL 39 HG22 VAL 39 -6.661 31.472 -14.036 320 HG23 VAL 39 HG23 VAL 39 -8.357 31.801 -14.398 321 H ARG 40 HN ARG 40 -5.544 29.032 -13.461 322 HA ARG 40 HA ARG 40 -7.035 26.811 -14.362 323 HB2 ARG 40 HB2 ARG 40 -4.014 27.249 -14.405 324 HB3 ARG 40 HB1 ARG 40 -4.839 25.971 -15.294 325 HG2 ARG 40 HG2 ARG 40 -5.974 27.618 -16.684 326 HG3 ARG 40 HG1 ARG 40 -5.294 28.939 -15.731 327 HD2 ARG 40 HD2 ARG 40 -4.071 28.658 -17.842 328 HD3 ARG 40 HD1 ARG 40 -3.026 28.327 -16.460 329 HE ARG 40 HE ARG 40 -4.315 26.048 -17.778 330 HH11 ARG 40 HH11 ARG 40 -1.365 27.892 -17.285 331 HH12 ARG 40 HH12 ARG 40 -0.351 26.665 -17.982 332 HH21 ARG 40 HH21 ARG 40 -2.965 24.447 -18.675 333 HH22 ARG 40 HH22 ARG 40 -1.245 24.724 -18.755 334 H VAL 41 HN VAL 41 -4.515 27.160 -11.935 335 HA VAL 41 HA VAL 41 -4.015 24.497 -11.266 336 HB VAL 41 HB VAL 41 -3.744 27.051 -9.609 337 HG11 VAL 41 HG11 VAL 41 -2.494 24.344 -9.031 338 HG12 VAL 41 HG12 VAL 41 -3.738 25.149 -8.076 339 HG13 VAL 41 HG13 VAL 41 -2.128 25.851 -8.182 340 HG21 VAL 41 HG21 VAL 41 -1.367 26.983 -10.288 341 HG22 VAL 41 HG22 VAL 41 -2.423 27.036 -11.699 342 HG23 VAL 41 HG23 VAL 41 -1.663 25.512 -11.224 343 H LYS 42 HN LYS 42 -6.244 26.814 -9.728 344 HA LYS 42 HA LYS 42 -7.275 24.993 -7.765 345 HB2 LYS 42 HB2 LYS 42 -7.192 27.621 -7.783 346 HB3 LYS 42 HB1 LYS 42 -8.693 27.531 -8.685 347 HG2 LYS 42 HG2 LYS 42 -8.307 26.291 -5.938 348 HG3 LYS 42 HG1 LYS 42 -8.893 27.933 -6.178 349 HD2 LYS 42 HD2 LYS 42 -10.269 25.359 -7.045 350 HD3 LYS 42 HD1 LYS 42 -10.766 26.429 -5.734 351 HE2 LYS 42 HE2 LYS 42 -10.760 27.134 -8.696 352 HE3 LYS 42 HE1 LYS 42 -12.179 26.735 -7.735 353 HZ1 LYS 42 HZ1 LYS 42 -10.421 29.087 -7.402 354 HZ2 LYS 42 HZ2 LYS 42 -11.684 28.686 -6.353 355 HZ3 LYS 42 HZ3 LYS 42 -12.014 29.075 -7.966 356 H ALA 43 HN ALA 43 -8.334 26.016 -10.989 357 HA ALA 43 HA ALA 43 -10.931 24.898 -11.023 358 HB1 ALA 43 HB1 ALA 43 -10.832 25.200 -13.464 359 HB2 ALA 43 HB2 ALA 43 -9.088 25.458 -13.372 360 HB3 ALA 43 HB3 ALA 43 -10.189 26.618 -12.628 361 H VAL 44 HN VAL 44 -7.818 23.623 -12.172 362 HA VAL 44 HA VAL 44 -8.676 21.131 -13.162 363 HB VAL 44 HB VAL 44 -5.947 21.940 -12.029 364 HG11 VAL 44 HG11 VAL 44 -6.637 19.421 -13.600 365 HG12 VAL 44 HG12 VAL 44 -6.166 19.487 -11.903 366 HG13 VAL 44 HG13 VAL 44 -5.008 19.942 -13.149 367 HG21 VAL 44 HG21 VAL 44 -6.828 21.615 -14.931 368 HG22 VAL 44 HG22 VAL 44 -5.243 22.145 -14.362 369 HG23 VAL 44 HG23 VAL 44 -6.655 23.156 -14.089 370 H TYR 45 HN TYR 45 -7.426 22.123 -9.964 371 HA TYR 45 HA TYR 45 -7.559 19.765 -8.535 372 HB2 TYR 45 HB2 TYR 45 -6.624 21.638 -7.443 373 HB3 TYR 45 HB1 TYR 45 -8.028 22.650 -7.751 374 HD1 TYR 45 HD1 TYR 45 -6.762 19.842 -5.624 375 HD2 TYR 45 HD2 TYR 45 -9.834 22.766 -6.176 376 HE1 TYR 45 HE1 TYR 45 -7.649 19.354 -3.376 377 HE2 TYR 45 HE2 TYR 45 -10.705 22.279 -3.940 378 HH TYR 45 HH TYR 45 -10.701 20.551 -2.315 379 H LEU 46 HN LEU 46 -10.267 22.130 -8.888 380 HA LEU 46 HA LEU 46 -12.197 20.754 -7.386 381 HB2 LEU 46 HB2 LEU 46 -12.592 22.634 -9.739 382 HB3 LEU 46 HB1 LEU 46 -13.915 22.034 -8.752 383 HG LEU 46 HG LEU 46 -11.680 23.894 -7.873 384 HD11 LEU 46 HD11 LEU 46 -13.437 24.983 -9.161 385 HD12 LEU 46 HD12 LEU 46 -13.520 25.484 -7.475 386 HD13 LEU 46 HD13 LEU 46 -14.678 24.306 -8.100 387 HD21 LEU 46 HD21 LEU 46 -13.860 22.657 -6.150 388 HD22 LEU 46 HD22 LEU 46 -12.765 23.947 -5.650 389 HD23 LEU 46 HD23 LEU 46 -12.124 22.352 -6.028 390 H PHE 47 HN PHE 47 -11.538 20.683 -10.860 391 HA PHE 47 HA PHE 47 -13.509 18.887 -11.696 392 HB2 PHE 47 HB2 PHE 47 -12.407 20.019 -13.444 393 HB3 PHE 47 HB1 PHE 47 -10.806 19.706 -12.785 394 HD1 PHE 47 HD1 PHE 47 -13.740 17.809 -14.232 395 HD2 PHE 47 HD2 PHE 47 -9.487 18.103 -13.853 396 HE1 PHE 47 HE1 PHE 47 -13.463 15.868 -15.721 397 HE2 PHE 47 HE2 PHE 47 -9.214 16.178 -15.345 398 HZ PHE 47 HZ PHE 47 -11.210 15.048 -16.278 399 H LEU 48 HN LEU 48 -10.192 18.220 -10.551 400 HA LEU 48 HA LEU 48 -10.231 15.426 -10.978 401 HB2 LEU 48 HB2 LEU 48 -8.540 17.055 -9.060 402 HB3 LEU 48 HB1 LEU 48 -8.257 15.365 -9.446 403 HG LEU 48 HG LEU 48 -8.011 17.714 -11.359 404 HD11 LEU 48 HD11 LEU 48 -6.171 17.587 -9.764 405 HD12 LEU 48 HD12 LEU 48 -5.621 17.183 -11.388 406 HD13 LEU 48 HD13 LEU 48 -5.880 15.901 -10.201 407 HD21 LEU 48 HD21 LEU 48 -8.860 15.784 -12.587 408 HD22 LEU 48 HD22 LEU 48 -7.573 14.769 -11.933 409 HD23 LEU 48 HD23 LEU 48 -7.183 16.100 -13.024 410 H VAL 49 HN VAL 49 -10.996 17.379 -8.098 411 HA VAL 49 HA VAL 49 -11.362 15.208 -6.287 412 HB VAL 49 HB VAL 49 -12.544 18.028 -6.139 413 HG11 VAL 49 HG11 VAL 49 -12.173 15.972 -3.914 414 HG12 VAL 49 HG12 VAL 49 -13.714 16.481 -4.615 415 HG13 VAL 49 HG13 VAL 49 -12.747 17.633 -3.699 416 HG21 VAL 49 HG21 VAL 49 -10.077 18.066 -6.254 417 HG22 VAL 49 HG22 VAL 49 -9.979 16.944 -4.897 418 HG23 VAL 49 HG23 VAL 49 -10.633 18.567 -4.658 419 H ASP 50 HN ASP 50 -13.485 16.974 -8.474 420 HA ASP 50 HA ASP 50 -15.973 15.799 -7.724 421 HB2 ASP 50 HB2 ASP 50 -15.729 17.966 -8.962 422 HB3 ASP 50 HB1 ASP 50 -15.173 17.083 -10.372 423 H ALA 51 HN ALA 51 -13.536 15.063 -10.166 424 HA ALA 51 HA ALA 51 -15.010 12.857 -11.366 425 HB1 ALA 51 HB1 ALA 51 -13.067 12.675 -12.869 426 HB2 ALA 51 HB2 ALA 51 -12.174 13.825 -11.868 427 HB3 ALA 51 HB3 ALA 51 -13.607 14.353 -12.750 428 H LYS 52 HN LYS 52 -13.375 13.196 -8.552 429 HA LYS 52 HA LYS 52 -12.722 11.843 -6.905 430 HB2 LYS 52 HB2 LYS 52 -13.714 9.504 -8.585 431 HB3 LYS 52 HB1 LYS 52 -13.473 9.519 -6.843 432 HG2 LYS 52 HG2 LYS 52 -15.605 10.985 -8.431 433 HG3 LYS 52 HG1 LYS 52 -15.840 9.677 -7.269 434 HD2 LYS 52 HD2 LYS 52 -15.122 11.179 -5.437 435 HD3 LYS 52 HD1 LYS 52 -14.828 12.473 -6.601 436 HE2 LYS 52 HE2 LYS 52 -17.265 12.414 -7.209 437 HE3 LYS 52 HE1 LYS 52 -17.517 11.232 -5.922 438 HZ1 LYS 52 HZ1 LYS 52 -18.058 13.434 -5.165 439 HZ2 LYS 52 HZ2 LYS 52 -16.525 14.014 -5.588 440 HZ3 LYS 52 HZ3 LYS 52 -16.687 12.885 -4.338 441 H GLN 53 HN GLN 53 -11.006 12.452 -9.243 442 HA GLN 53 HA GLN 53 -9.003 10.465 -9.541 443 HB2 GLN 53 HB2 GLN 53 -8.784 13.485 -9.914 444 HB3 GLN 53 HB1 GLN 53 -7.671 12.286 -10.555 445 HG2 GLN 53 HG2 GLN 53 -10.572 12.625 -11.365 446 HG3 GLN 53 HG1 GLN 53 -9.169 13.171 -12.281 447 HE21 GLN 53 HE21 GLN 53 -11.073 10.414 -11.322 448 HE22 GLN 53 HE22 GLN 53 -10.354 9.284 -12.414 449 H ILE 54 HN ILE 54 -9.415 13.266 -7.388 450 HA ILE 54 HA ILE 54 -7.389 12.177 -5.529 451 HB ILE 54 HB ILE 54 -6.649 14.502 -4.917 452 HG12 ILE 54 HG12 ILE 54 -8.213 15.342 -7.404 453 HG13 ILE 54 HG11 ILE 54 -8.624 15.754 -5.746 454 HG21 ILE 54 HG21 ILE 54 -5.262 13.142 -6.406 455 HG22 ILE 54 HG22 ILE 54 -5.134 14.852 -6.817 456 HG23 ILE 54 HG23 ILE 54 -6.120 13.777 -7.813 457 HD11 ILE 54 HD11 ILE 54 -7.629 17.632 -6.874 458 HD12 ILE 54 HD12 ILE 54 -6.197 16.685 -7.270 459 HD13 ILE 54 HD13 ILE 54 -6.558 17.078 -5.587 460 H ALA 55 HN ALA 55 -7.608 13.073 -3.343 461 HA ALA 55 HA ALA 55 -10.355 13.390 -2.446 462 HB1 ALA 55 HB1 ALA 55 -9.358 13.265 -0.175 463 HB2 ALA 55 HB2 ALA 55 -7.739 13.285 -0.880 464 HB3 ALA 55 HB3 ALA 55 -8.816 11.921 -1.184 465 HA PRO 56 HA PRO 56 -10.032 17.889 -2.067 466 HB2 PRO 56 HB2 PRO 56 -11.814 18.410 -0.061 467 HB3 PRO 56 HB1 PRO 56 -12.328 17.881 -1.670 468 HG2 PRO 56 HG2 PRO 56 -11.977 16.236 0.838 469 HG3 PRO 56 HG1 PRO 56 -13.333 16.244 -0.312 470 HD2 PRO 56 HD2 PRO 56 -11.376 14.357 -0.397 471 HD3 PRO 56 HD1 PRO 56 -12.191 14.938 -1.867 472 H LEU 57 HN LEU 57 -9.231 19.533 -0.704 473 HA LEU 57 HA LEU 57 -7.511 18.780 1.527 474 HB2 LEU 57 HB2 LEU 57 -7.987 21.362 -0.014 475 HB3 LEU 57 HB1 LEU 57 -6.864 21.248 1.333 476 HG LEU 57 HG LEU 57 -6.569 19.505 -1.144 477 HD11 LEU 57 HD11 LEU 57 -6.534 21.819 -1.922 478 HD12 LEU 57 HD12 LEU 57 -4.928 21.107 -2.019 479 HD13 LEU 57 HD13 LEU 57 -5.314 22.232 -0.717 480 HD21 LEU 57 HD21 LEU 57 -4.229 19.306 -0.401 481 HD22 LEU 57 HD22 LEU 57 -5.334 18.759 0.858 482 HD23 LEU 57 HD23 LEU 57 -4.565 20.343 0.988 483 HA PRO 58 HA PRO 58 -10.407 20.643 4.572 484 HB2 PRO 58 HB2 PRO 58 -8.657 21.666 6.418 485 HB3 PRO 58 HB1 PRO 58 -9.010 19.938 6.297 486 HG2 PRO 58 HG2 PRO 58 -6.670 21.477 5.174 487 HG3 PRO 58 HG1 PRO 58 -6.679 19.929 6.052 488 HD2 PRO 58 HD2 PRO 58 -6.509 20.031 3.343 489 HD3 PRO 58 HD1 PRO 58 -7.370 18.720 4.179 490 H ASP 59 HN ASP 59 -11.079 22.795 5.242 491 HA ASP 59 HA ASP 59 -10.841 24.778 3.266 492 HB2 ASP 59 HB2 ASP 59 -12.787 24.668 4.739 493 HB3 ASP 59 HB1 ASP 59 -11.791 24.997 6.151 494 H SER 60 HN SER 60 -9.065 24.290 6.237 495 HA SER 60 HA SER 60 -7.643 26.708 6.439 496 HB2 SER 60 HB2 SER 60 -6.058 25.292 7.830 497 HB3 SER 60 HB1 SER 60 -7.755 25.149 8.294 498 HG SER 60 HG SER 60 -7.100 23.089 8.169 499 H LYS 61 HN LYS 61 -6.798 23.628 4.833 500 HA LYS 61 HA LYS 61 -4.416 24.835 3.580 501 HB2 LYS 61 HB2 LYS 61 -5.238 21.971 4.136 502 HB3 LYS 61 HB1 LYS 61 -4.071 22.301 2.865 503 HG2 LYS 61 HG2 LYS 61 -2.884 21.744 4.907 504 HG3 LYS 61 HG1 LYS 61 -2.598 23.433 4.491 505 HD2 LYS 61 HD2 LYS 61 -4.543 23.941 6.163 506 HD3 LYS 61 HD1 LYS 61 -4.268 22.298 6.742 507 HE2 LYS 61 HE2 LYS 61 -1.929 22.877 7.266 508 HE3 LYS 61 HE1 LYS 61 -2.189 24.509 6.641 509 HZ1 LYS 61 HZ1 LYS 61 -2.349 24.463 9.044 510 HZ2 LYS 61 HZ2 LYS 61 -3.574 23.303 8.973 511 HZ3 LYS 61 HZ3 LYS 61 -3.850 24.858 8.369 512 H LEU 62 HN LEU 62 -7.330 25.217 2.754 513 HA LEU 62 HA LEU 62 -7.173 24.427 -0.065 514 HB2 LEU 62 HB2 LEU 62 -9.357 24.807 1.507 515 HB3 LEU 62 HB1 LEU 62 -9.197 26.450 0.926 516 HG LEU 62 HG LEU 62 -10.843 25.169 -0.392 517 HD11 LEU 62 HD11 LEU 62 -9.662 26.967 -1.552 518 HD12 LEU 62 HD12 LEU 62 -10.078 25.657 -2.652 519 HD13 LEU 62 HD13 LEU 62 -8.417 25.830 -2.081 520 HD21 LEU 62 HD21 LEU 62 -10.199 23.282 -1.805 521 HD22 LEU 62 HD22 LEU 62 -9.895 22.929 -0.106 522 HD23 LEU 62 HD23 LEU 62 -8.550 23.345 -1.173 523 H ASP 63 HN ASP 63 -5.034 25.406 -0.027 524 HA ASP 63 HA ASP 63 -4.975 28.288 -0.700 525 HB2 ASP 63 HB2 ASP 63 -4.017 28.069 1.551 526 HB3 ASP 63 HB1 ASP 63 -3.007 26.726 1.046 527 H GLY 64 HN GLY 64 -3.355 28.814 -2.261 528 HA2 GLY 64 HA2 GLY 64 -3.398 27.273 -4.527 529 HA3 GLY 64 HA1 GLY 64 -2.247 28.563 -4.240 530 H ALA 65 HN ALA 65 -0.762 27.364 -2.121 531 HA ALA 65 HA ALA 65 1.119 25.792 -3.555 532 HB1 ALA 65 HB1 ALA 65 2.242 25.512 -1.377 533 HB2 ALA 65 HB2 ALA 65 0.808 26.128 -0.551 534 HB3 ALA 65 HB3 ALA 65 1.723 27.185 -1.623 535 H ASN 66 HN ASN 66 -1.356 24.906 -1.156 536 HA ASN 66 HA ASN 66 -0.732 22.111 -1.050 537 HB2 ASN 66 HB2 ASN 66 -3.260 23.586 -0.193 538 HB3 ASN 66 HB1 ASN 66 -2.884 21.917 0.215 539 HD21 ASN 66 HD21 ASN 66 -2.083 25.257 0.823 540 HD22 ASN 66 HD22 ASN 66 -1.153 24.986 2.253 541 H ILE 67 HN ILE 67 -2.991 24.065 -2.935 542 HA ILE 67 HA ILE 67 -4.450 22.050 -4.248 543 HB ILE 67 HB ILE 67 -3.577 24.763 -5.363 544 HG12 ILE 67 HG12 ILE 67 -4.934 24.948 -3.247 545 HG13 ILE 67 HG11 ILE 67 -5.717 25.679 -4.635 546 HG21 ILE 67 HG21 ILE 67 -5.786 22.911 -6.304 547 HG22 ILE 67 HG22 ILE 67 -4.286 23.273 -7.155 548 HG23 ILE 67 HG23 ILE 67 -5.491 24.539 -6.921 549 HD11 ILE 67 HD11 ILE 67 -7.191 23.755 -4.827 550 HD12 ILE 67 HD12 ILE 67 -7.288 24.488 -3.224 551 HD13 ILE 67 HD13 ILE 67 -6.387 22.990 -3.454 552 H LYS 68 HN LYS 68 -1.440 23.737 -5.157 553 HA LYS 68 HA LYS 68 -0.823 22.439 -7.558 554 HB2 LYS 68 HB2 LYS 68 0.949 23.758 -5.463 555 HB3 LYS 68 HB1 LYS 68 1.574 23.181 -7.004 556 HG2 LYS 68 HG2 LYS 68 0.162 24.759 -8.216 557 HG3 LYS 68 HG1 LYS 68 -0.596 25.279 -6.709 558 HD2 LYS 68 HD2 LYS 68 1.626 26.111 -5.923 559 HD3 LYS 68 HD1 LYS 68 2.322 25.661 -7.483 560 HE2 LYS 68 HE2 LYS 68 0.828 27.263 -8.617 561 HE3 LYS 68 HE1 LYS 68 0.089 27.687 -7.072 562 HZ1 LYS 68 HZ1 LYS 68 2.927 28.130 -7.831 563 HZ2 LYS 68 HZ2 LYS 68 2.254 28.507 -6.329 564 HZ3 LYS 68 HZ3 LYS 68 1.727 29.316 -7.719 565 H HIS 69 HN HIS 69 -0.188 21.578 -4.221 566 HA HIS 69 HA HIS 69 1.612 19.429 -4.667 567 HB2 HIS 69 HB2 HIS 69 1.232 20.769 -2.504 568 HB3 HIS 69 HB1 HIS 69 -0.196 19.776 -2.241 569 HD1 HIS 69 HD1 HIS 69 3.559 19.555 -2.422 570 HD2 HIS 69 HD2 HIS 69 0.345 17.251 -1.158 571 HE1 HIS 69 HE1 HIS 69 4.570 17.638 -1.169 572 HE2 HIS 69 HE2 HIS 69 2.594 16.413 -0.202 573 H ARG 70 HN ARG 70 -1.923 19.610 -4.270 574 HA ARG 70 HA ARG 70 -2.558 16.857 -4.379 575 HB2 ARG 70 HB2 ARG 70 -4.102 19.367 -5.108 576 HB3 ARG 70 HB1 ARG 70 -4.784 17.789 -5.461 577 HG2 ARG 70 HG2 ARG 70 -4.016 18.791 -2.708 578 HG3 ARG 70 HG1 ARG 70 -5.654 18.701 -3.364 579 HD2 ARG 70 HD2 ARG 70 -5.271 16.195 -3.651 580 HD3 ARG 70 HD1 ARG 70 -3.798 16.395 -2.699 581 HE ARG 70 HE ARG 70 -6.438 17.192 -1.627 582 HH11 ARG 70 HH11 ARG 70 -3.489 15.325 -1.268 583 HH12 ARG 70 HH12 ARG 70 -3.939 14.667 0.273 584 HH21 ARG 70 HH21 ARG 70 -7.015 16.341 0.404 585 HH22 ARG 70 HH22 ARG 70 -5.933 15.256 1.229 586 H LEU 71 HN LEU 71 -2.248 19.280 -6.952 587 HA LEU 71 HA LEU 71 -2.895 17.649 -9.167 588 HB2 LEU 71 HB2 LEU 71 -1.045 20.068 -9.134 589 HB3 LEU 71 HB1 LEU 71 -1.893 19.421 -10.529 590 HG LEU 71 HG LEU 71 -3.119 20.852 -8.149 591 HD11 LEU 71 HD11 LEU 71 -3.812 22.535 -9.763 592 HD12 LEU 71 HD12 LEU 71 -3.032 21.637 -11.069 593 HD13 LEU 71 HD13 LEU 71 -2.061 22.336 -9.770 594 HD21 LEU 71 HD21 LEU 71 -5.308 20.612 -9.265 595 HD22 LEU 71 HD22 LEU 71 -4.642 19.065 -8.756 596 HD23 LEU 71 HD23 LEU 71 -4.574 19.533 -10.457 597 H ALA 72 HN ALA 72 0.109 18.335 -7.503 598 HA ALA 72 HA ALA 72 1.971 17.297 -9.338 599 HB1 ALA 72 HB1 ALA 72 3.559 17.402 -7.476 600 HB2 ALA 72 HB2 ALA 72 2.228 17.591 -6.332 601 HB3 ALA 72 HB3 ALA 72 2.552 18.851 -7.522 602 H LEU 73 HN LEU 73 0.662 15.828 -6.327 603 HA LEU 73 HA LEU 73 1.932 13.295 -6.791 604 HB2 LEU 73 HB2 LEU 73 -0.153 14.167 -4.784 605 HB3 LEU 73 HB1 LEU 73 0.323 12.483 -4.938 606 HG LEU 73 HG LEU 73 2.754 13.310 -4.569 607 HD11 LEU 73 HD11 LEU 73 3.007 15.375 -3.264 608 HD12 LEU 73 HD12 LEU 73 1.296 15.748 -3.526 609 HD13 LEU 73 HD13 LEU 73 2.412 15.685 -4.894 610 HD21 LEU 73 HD21 LEU 73 0.775 13.430 -2.278 611 HD22 LEU 73 HD22 LEU 73 2.519 13.202 -2.132 612 HD23 LEU 73 HD23 LEU 73 1.538 11.980 -2.936 613 H TRP 74 HN TRP 74 -1.216 14.633 -7.648 614 HA TRP 74 HA TRP 74 -2.573 12.276 -8.353 615 HB2 TRP 74 HB2 TRP 74 -3.804 14.383 -8.405 616 HB3 TRP 74 HB1 TRP 74 -2.734 15.046 -9.634 617 HD1 TRP 74 HD1 TRP 74 -5.183 12.003 -9.342 618 HE1 TRP 74 HE1 TRP 74 -6.302 11.664 -11.629 619 HE3 TRP 74 HE3 TRP 74 -2.834 15.711 -11.974 620 HZ2 TRP 74 HZ2 TRP 74 -6.220 12.800 -14.194 621 HZ3 TRP 74 HZ3 TRP 74 -3.416 16.023 -14.346 622 HH2 TRP 74 HH2 TRP 74 -5.079 14.594 -15.433 623 H ILE 75 HN ILE 75 -0.678 14.459 -10.458 624 HA ILE 75 HA ILE 75 -0.833 12.737 -12.714 625 HB ILE 75 HB ILE 75 -0.602 15.246 -12.830 626 HG12 ILE 75 HG12 ILE 75 0.746 15.275 -14.880 627 HG13 ILE 75 HG11 ILE 75 1.523 13.757 -14.460 628 HG21 ILE 75 HG21 ILE 75 1.155 15.576 -11.164 629 HG22 ILE 75 HG22 ILE 75 1.637 16.266 -12.712 630 HG23 ILE 75 HG23 ILE 75 2.320 14.727 -12.184 631 HD11 ILE 75 HD11 ILE 75 -0.618 12.597 -14.737 632 HD12 ILE 75 HD12 ILE 75 -0.179 13.495 -16.190 633 HD13 ILE 75 HD13 ILE 75 -1.409 14.135 -15.102 634 H HIS 76 HN HIS 76 1.478 13.060 -10.070 635 HA HIS 76 HA HIS 76 3.624 11.611 -11.275 636 HB2 HIS 76 HB2 HIS 76 3.695 13.111 -9.136 637 HB3 HIS 76 HB1 HIS 76 3.144 11.684 -8.265 638 HD1 HIS 76 HD1 HIS 76 5.360 11.402 -6.959 639 HD2 HIS 76 HD2 HIS 76 5.856 11.384 -11.079 640 HE1 HIS 76 HE1 HIS 76 7.746 10.739 -7.348 641 HE2 HIS 76 HE2 HIS 76 7.955 10.536 -9.848 642 H ALA 77 HN ALA 77 0.783 10.671 -9.412 643 HA ALA 77 HA ALA 77 1.423 7.825 -9.433 644 HB1 ALA 77 HB1 ALA 77 0.222 8.819 -7.535 645 HB2 ALA 77 HB2 ALA 77 -0.754 7.574 -8.315 646 HB3 ALA 77 HB3 ALA 77 -1.107 9.282 -8.600 647 H ALA 78 HN ALA 78 -0.325 10.086 -11.432 648 HA ALA 78 HA ALA 78 -1.976 8.183 -12.834 649 HB1 ALA 78 HB1 ALA 78 -1.320 11.057 -13.570 650 HB2 ALA 78 HB2 ALA 78 -2.688 10.536 -12.587 651 HB3 ALA 78 HB3 ALA 78 -2.596 10.066 -14.284 652 H LEU 79 HN LEU 79 1.216 9.549 -13.246 653 HA LEU 79 HA LEU 79 1.691 8.220 -15.803 654 HB2 LEU 79 HB2 LEU 79 3.658 9.624 -13.940 655 HB3 LEU 79 HB1 LEU 79 3.992 9.100 -15.583 656 HG LEU 79 HG LEU 79 2.011 11.292 -14.827 657 HD11 LEU 79 HD11 LEU 79 4.303 12.011 -14.349 658 HD12 LEU 79 HD12 LEU 79 3.638 12.897 -15.718 659 HD13 LEU 79 HD13 LEU 79 4.795 11.592 -15.992 660 HD21 LEU 79 HD21 LEU 79 1.353 10.210 -16.909 661 HD22 LEU 79 HD22 LEU 79 2.976 10.423 -17.568 662 HD23 LEU 79 HD23 LEU 79 1.966 11.834 -17.237 663 HA PRO 80 HA PRO 80 2.564 4.452 -13.257 664 HB2 PRO 80 HB2 PRO 80 2.878 2.724 -15.380 665 HB3 PRO 80 HB1 PRO 80 1.296 3.219 -14.764 666 HG2 PRO 80 HG2 PRO 80 2.839 4.320 -17.109 667 HG3 PRO 80 HG1 PRO 80 1.124 3.862 -17.016 668 HD2 PRO 80 HD2 PRO 80 1.896 6.435 -16.817 669 HD3 PRO 80 HD1 PRO 80 0.534 5.809 -15.860 670 H ASP 81 HN ASP 81 4.471 6.070 -15.582 671 HA ASP 81 HA ASP 81 6.955 4.756 -15.400 672 HB2 ASP 81 HB2 ASP 81 6.497 7.764 -15.709 673 HB3 ASP 81 HB1 ASP 81 7.893 6.842 -16.255 674 H ASN 82 HN ASN 82 5.293 7.118 -13.405 675 HA ASN 82 HA ASN 82 5.631 8.168 -11.440 676 HB2 ASN 82 HB2 ASN 82 7.308 5.684 -10.868 677 HB3 ASN 82 HB1 ASN 82 6.920 6.896 -9.650 678 HD21 ASN 82 HD21 ASN 82 5.603 4.361 -11.690 679 HD22 ASN 82 HD22 ASN 82 4.109 4.192 -10.840 680 H ASP 83 HN ASP 83 7.274 8.792 -13.655 681 HA ASP 83 HA ASP 83 10.017 9.206 -13.044 682 HB2 ASP 83 HB2 ASP 83 10.009 10.529 -15.158 683 HB3 ASP 83 HB1 ASP 83 9.200 8.980 -15.357 684 HA PRO 84 HA PRO 84 9.775 13.254 -10.960 685 HB2 PRO 84 HB2 PRO 84 12.238 14.273 -11.442 686 HB3 PRO 84 HB1 PRO 84 12.018 12.850 -10.410 687 HG2 PRO 84 HG2 PRO 84 12.773 12.955 -13.340 688 HG3 PRO 84 HG1 PRO 84 13.559 12.050 -12.026 689 HD2 PRO 84 HD2 PRO 84 11.771 10.890 -13.713 690 HD3 PRO 84 HD1 PRO 84 11.909 10.396 -12.011 691 H LEU 85 HN LEU 85 9.564 12.882 -14.243 692 HA LEU 85 HA LEU 85 8.992 14.087 -16.028 693 HB2 LEU 85 HB2 LEU 85 8.299 16.167 -13.941 694 HB3 LEU 85 HB1 LEU 85 8.083 16.467 -15.659 695 HG LEU 85 HG LEU 85 6.658 14.317 -15.691 696 HD11 LEU 85 HD11 LEU 85 5.530 13.723 -13.574 697 HD12 LEU 85 HD12 LEU 85 6.654 14.775 -12.711 698 HD13 LEU 85 HD13 LEU 85 7.254 13.356 -13.570 699 HD21 LEU 85 HD21 LEU 85 5.618 16.746 -14.211 700 HD22 LEU 85 HD22 LEU 85 4.636 15.524 -15.025 701 HD23 LEU 85 HD23 LEU 85 5.720 16.545 -15.963 702 H LYS 86 HN LYS 86 11.731 14.078 -15.035 703 HA LYS 86 HA LYS 86 12.976 16.600 -15.629 704 HB2 LYS 86 HB2 LYS 86 13.816 14.582 -14.121 705 HB3 LYS 86 HB1 LYS 86 14.449 13.930 -15.623 706 HG2 LYS 86 HG2 LYS 86 15.214 16.590 -14.350 707 HG3 LYS 86 HG1 LYS 86 16.178 15.112 -14.331 708 HD2 LYS 86 HD2 LYS 86 16.365 15.247 -16.820 709 HD3 LYS 86 HD1 LYS 86 15.460 16.759 -16.789 710 HE2 LYS 86 HE2 LYS 86 17.285 17.729 -15.332 711 HE3 LYS 86 HE1 LYS 86 18.205 16.247 -15.593 712 HZ1 LYS 86 HZ1 LYS 86 18.163 16.704 -17.976 713 HZ2 LYS 86 HZ2 LYS 86 18.882 17.978 -17.127 714 HZ3 LYS 86 HZ3 LYS 86 17.302 18.135 -17.704 Start of MODEL 14 1 H MET 1 HT1 MET 1 -1.712 3.235 -12.304 2 HA MET 1 HA MET 1 -0.020 4.705 -11.433 3 HB2 MET 1 HB2 MET 1 -2.527 4.544 -9.693 4 HB3 MET 1 HB1 MET 1 -1.465 5.943 -9.796 5 HG2 MET 1 HG2 MET 1 -3.452 6.309 -11.132 6 HG3 MET 1 HG1 MET 1 -2.044 6.190 -12.190 7 HE1 MET 1 HE1 MET 1 -3.647 5.851 -14.311 8 HE2 MET 1 HE2 MET 1 -5.075 5.957 -13.279 9 HE3 MET 1 HE3 MET 1 -4.894 4.608 -14.401 10 H SER 2 HN SER 2 1.854 3.752 -10.588 11 HA SER 2 HA SER 2 1.835 2.359 -8.042 12 HB2 SER 2 HB2 SER 2 4.164 3.120 -9.853 13 HB3 SER 2 HB1 SER 2 4.267 2.064 -8.440 14 HG SER 2 HG SER 2 2.718 1.605 -10.775 15 H LYS 3 HN LYS 3 3.096 5.440 -9.287 16 HA LYS 3 HA LYS 3 3.827 7.372 -8.381 17 HB2 LYS 3 HB2 LYS 3 1.557 7.340 -7.351 18 HB3 LYS 3 HB1 LYS 3 2.217 6.507 -5.951 19 HG2 LYS 3 HG2 LYS 3 3.617 8.487 -5.435 20 HG3 LYS 3 HG1 LYS 3 2.941 9.325 -6.835 21 HD2 LYS 3 HD2 LYS 3 1.841 10.035 -4.732 22 HD3 LYS 3 HD1 LYS 3 0.695 9.259 -5.828 23 HE2 LYS 3 HE2 LYS 3 0.881 7.153 -4.512 24 HE3 LYS 3 HE1 LYS 3 2.029 7.937 -3.425 25 HZ1 LYS 3 HZ1 LYS 3 -0.771 8.797 -3.851 26 HZ2 LYS 3 HZ2 LYS 3 0.323 9.456 -2.744 27 HZ3 LYS 3 HZ3 LYS 3 -0.226 7.869 -2.549 28 H THR 4 HN THR 4 6.006 7.247 -8.175 29 HA THR 4 HA THR 4 7.257 5.241 -6.506 30 HB THR 4 HB THR 4 9.370 6.087 -7.662 31 HG1 THR 4 HG1 THR 4 9.231 7.761 -8.987 32 HG21 THR 4 HG21 THR 4 8.102 4.175 -8.586 33 HG22 THR 4 HG22 THR 4 8.781 5.174 -9.872 34 HG23 THR 4 HG23 THR 4 7.064 5.289 -9.483 35 H ALA 5 HN ALA 5 6.254 8.241 -5.604 36 HA ALA 5 HA ALA 5 6.757 9.763 -3.995 37 HB1 ALA 5 HB1 ALA 5 8.628 7.626 -2.907 38 HB2 ALA 5 HB2 ALA 5 6.907 7.761 -2.542 39 HB3 ALA 5 HB3 ALA 5 8.021 9.026 -2.018 40 H LYS 6 HN LYS 6 9.036 10.603 -2.686 41 HA LYS 6 HA LYS 6 10.859 11.954 -2.868 42 HB2 LYS 6 HB2 LYS 6 11.555 10.014 -5.119 43 HB3 LYS 6 HB1 LYS 6 12.657 11.267 -4.557 44 HG2 LYS 6 HG2 LYS 6 11.578 9.027 -2.812 45 HG3 LYS 6 HG1 LYS 6 13.136 8.994 -3.648 46 HD2 LYS 6 HD2 LYS 6 13.753 11.109 -2.370 47 HD3 LYS 6 HD1 LYS 6 12.272 10.895 -1.430 48 HE2 LYS 6 HE2 LYS 6 14.255 10.006 -0.255 49 HE3 LYS 6 HE1 LYS 6 13.088 8.730 -0.606 50 HZ1 LYS 6 HZ1 LYS 6 15.381 8.070 -1.078 51 HZ2 LYS 6 HZ2 LYS 6 15.517 9.309 -2.221 52 HZ3 LYS 6 HZ3 LYS 6 14.426 8.045 -2.469 53 H LEU 7 HN LEU 7 8.481 12.798 -4.115 54 HA LEU 7 HA LEU 7 8.695 13.617 -6.795 55 HB2 LEU 7 HB2 LEU 7 6.585 13.331 -5.470 56 HB3 LEU 7 HB1 LEU 7 6.940 14.813 -4.614 57 HG LEU 7 HG LEU 7 6.540 14.779 -7.639 58 HD11 LEU 7 HD11 LEU 7 4.376 15.183 -5.552 59 HD12 LEU 7 HD12 LEU 7 4.539 13.796 -6.631 60 HD13 LEU 7 HD13 LEU 7 4.195 15.389 -7.299 61 HD21 LEU 7 HD21 LEU 7 7.551 16.847 -6.777 62 HD22 LEU 7 HD22 LEU 7 6.232 17.037 -5.621 63 HD23 LEU 7 HD23 LEU 7 5.914 17.155 -7.355 64 H ASN 8 HN ASN 8 10.296 14.856 -7.472 65 HA ASN 8 HA ASN 8 10.972 17.398 -6.098 66 HB2 ASN 8 HB2 ASN 8 12.637 15.548 -7.844 67 HB3 ASN 8 HB1 ASN 8 13.104 17.222 -7.594 68 HD21 ASN 8 HD21 ASN 8 11.715 15.097 -5.100 69 HD22 ASN 8 HD22 ASN 8 13.129 15.056 -4.125 70 H ASN 9 HN ASN 9 11.192 19.261 -7.367 71 HA ASN 9 HA ASN 9 10.687 20.815 -8.917 72 HB2 ASN 9 HB2 ASN 9 11.135 18.450 -10.769 73 HB3 ASN 9 HB1 ASN 9 10.699 20.029 -11.403 74 HD21 ASN 9 HD21 ASN 9 12.844 19.653 -8.599 75 HD22 ASN 9 HD22 ASN 9 14.269 20.189 -9.404 76 H GLU 10 HN GLU 10 8.655 20.076 -7.465 77 HA GLU 10 HA GLU 10 6.353 18.940 -8.391 78 HB2 GLU 10 HB2 GLU 10 6.651 19.729 -6.068 79 HB3 GLU 10 HB1 GLU 10 6.565 21.403 -6.610 80 HG2 GLU 10 HG2 GLU 10 4.223 21.084 -7.305 81 HG3 GLU 10 HG1 GLU 10 4.304 19.394 -6.840 82 H GLU 11 HN GLU 11 7.462 22.197 -8.968 83 HA GLU 11 HA GLU 11 5.163 23.438 -9.890 84 HB2 GLU 11 HB2 GLU 11 7.582 24.308 -9.247 85 HB3 GLU 11 HB1 GLU 11 7.911 24.145 -10.962 86 HG2 GLU 11 HG2 GLU 11 5.600 25.795 -9.913 87 HG3 GLU 11 HG1 GLU 11 7.231 26.441 -10.050 88 H LYS 12 HN LYS 12 7.554 21.523 -11.668 89 HA LYS 12 HA LYS 12 6.461 21.839 -14.288 90 HB2 LYS 12 HB2 LYS 12 8.103 19.491 -13.258 91 HB3 LYS 12 HB1 LYS 12 7.873 19.954 -14.946 92 HG2 LYS 12 HG2 LYS 12 9.042 22.158 -14.359 93 HG3 LYS 12 HG1 LYS 12 9.451 21.424 -12.807 94 HD2 LYS 12 HD2 LYS 12 11.360 21.156 -14.243 95 HD3 LYS 12 HD1 LYS 12 10.611 19.566 -14.087 96 HE2 LYS 12 HE2 LYS 12 9.520 19.881 -16.299 97 HE3 LYS 12 HE1 LYS 12 10.290 21.463 -16.451 98 HZ1 LYS 12 HZ1 LYS 12 11.480 19.741 -17.655 99 HZ2 LYS 12 HZ2 LYS 12 11.718 18.866 -16.232 100 HZ3 LYS 12 HZ3 LYS 12 12.436 20.386 -16.422 101 H LEU 13 HN LEU 13 5.924 19.459 -11.712 102 HA LEU 13 HA LEU 13 4.158 17.749 -13.139 103 HB2 LEU 13 HB2 LEU 13 4.547 18.184 -10.161 104 HB3 LEU 13 HB1 LEU 13 3.399 17.024 -10.806 105 HG LEU 13 HG LEU 13 5.528 16.119 -12.112 106 HD11 LEU 13 HD11 LEU 13 7.091 17.840 -11.365 107 HD12 LEU 13 HD12 LEU 13 7.605 16.228 -10.872 108 HD13 LEU 13 HD13 LEU 13 6.871 17.319 -9.690 109 HD21 LEU 13 HD21 LEU 13 5.017 15.468 -9.211 110 HD22 LEU 13 HD22 LEU 13 5.918 14.464 -10.350 111 HD23 LEU 13 HD23 LEU 13 4.201 14.768 -10.609 112 H VAL 14 HN VAL 14 3.671 20.661 -11.246 113 HA VAL 14 HA VAL 14 0.850 20.703 -11.109 114 HB VAL 14 HB VAL 14 2.824 23.035 -11.158 115 HG11 VAL 14 HG11 VAL 14 1.004 24.384 -10.108 116 HG12 VAL 14 HG12 VAL 14 -0.107 23.025 -10.292 117 HG13 VAL 14 HG13 VAL 14 0.541 23.831 -11.721 118 HG21 VAL 14 HG21 VAL 14 2.589 23.004 -8.695 119 HG22 VAL 14 HG22 VAL 14 3.241 21.488 -9.309 120 HG23 VAL 14 HG23 VAL 14 1.552 21.578 -8.814 121 H LYS 15 HN LYS 15 3.168 22.149 -13.437 122 HA LYS 15 HA LYS 15 1.407 23.266 -15.292 123 HB2 LYS 15 HB2 LYS 15 4.028 21.847 -15.944 124 HB3 LYS 15 HB1 LYS 15 3.181 22.970 -17.003 125 HG2 LYS 15 HG2 LYS 15 3.604 24.786 -15.357 126 HG3 LYS 15 HG1 LYS 15 4.510 23.638 -14.362 127 HD2 LYS 15 HD2 LYS 15 5.999 23.229 -16.410 128 HD3 LYS 15 HD1 LYS 15 5.188 24.603 -17.167 129 HE2 LYS 15 HE2 LYS 15 6.849 24.656 -14.629 130 HE3 LYS 15 HE1 LYS 15 7.310 25.305 -16.204 131 HZ1 LYS 15 HZ1 LYS 15 5.519 26.906 -16.024 132 HZ2 LYS 15 HZ2 LYS 15 6.558 27.030 -14.697 133 HZ3 LYS 15 HZ3 LYS 15 5.058 26.271 -14.524 134 H LYS 16 HN LYS 16 2.666 19.933 -15.087 135 HA LYS 16 HA LYS 16 1.450 19.022 -17.508 136 HB2 LYS 16 HB2 LYS 16 3.515 18.012 -16.409 137 HB3 LYS 16 HB1 LYS 16 2.448 17.271 -15.228 138 HG2 LYS 16 HG2 LYS 16 3.032 15.652 -16.965 139 HG3 LYS 16 HG1 LYS 16 1.303 16.024 -17.046 140 HD2 LYS 16 HD2 LYS 16 1.835 17.694 -18.877 141 HD3 LYS 16 HD1 LYS 16 3.497 17.102 -18.863 142 HE2 LYS 16 HE2 LYS 16 2.738 14.892 -19.576 143 HE3 LYS 16 HE1 LYS 16 1.051 15.405 -19.461 144 HZ1 LYS 16 HZ1 LYS 16 1.733 15.505 -21.723 145 HZ2 LYS 16 HZ2 LYS 16 3.096 16.423 -21.343 146 HZ3 LYS 16 HZ3 LYS 16 1.557 17.098 -21.174 147 H ALA 17 HN ALA 17 0.430 19.130 -14.167 148 HA ALA 17 HA ALA 17 -1.858 17.407 -14.461 149 HB1 ALA 17 HB1 ALA 17 -0.802 17.756 -12.276 150 HB2 ALA 17 HB2 ALA 17 -2.499 18.242 -12.239 151 HB3 ALA 17 HB3 ALA 17 -1.228 19.467 -12.328 152 H LEU 18 HN LEU 18 -1.181 20.848 -14.872 153 HA LEU 18 HA LEU 18 -3.884 21.695 -15.296 154 HB2 LEU 18 HB2 LEU 18 -1.359 22.982 -16.421 155 HB3 LEU 18 HB1 LEU 18 -2.945 23.730 -16.298 156 HG LEU 18 HG LEU 18 -1.038 23.063 -14.040 157 HD11 LEU 18 HD11 LEU 18 -0.537 25.142 -15.202 158 HD12 LEU 18 HD12 LEU 18 -1.082 25.449 -13.555 159 HD13 LEU 18 HD13 LEU 18 -2.180 25.723 -14.913 160 HD21 LEU 18 HD21 LEU 18 -2.712 23.900 -12.455 161 HD22 LEU 18 HD22 LEU 18 -3.252 22.436 -13.268 162 HD23 LEU 18 HD23 LEU 18 -3.902 24.005 -13.756 163 H GLU 19 HN GLU 19 -1.301 20.438 -17.355 164 HA GLU 19 HA GLU 19 -2.550 20.740 -19.868 165 HB2 GLU 19 HB2 GLU 19 -0.485 18.708 -18.925 166 HB3 GLU 19 HB1 GLU 19 -0.965 18.905 -20.611 167 HG2 GLU 19 HG2 GLU 19 -0.099 21.197 -20.620 168 HG3 GLU 19 HG1 GLU 19 0.315 21.067 -18.907 169 H ILE 20 HN ILE 20 -2.287 17.820 -17.826 170 HA ILE 20 HA ILE 20 -3.979 16.231 -19.480 171 HB ILE 20 HB ILE 20 -2.998 15.674 -16.644 172 HG12 ILE 20 HG12 ILE 20 -1.094 15.993 -18.177 173 HG13 ILE 20 HG11 ILE 20 -1.220 14.295 -17.737 174 HG21 ILE 20 HG21 ILE 20 -3.438 13.281 -17.156 175 HG22 ILE 20 HG22 ILE 20 -4.150 13.754 -18.699 176 HG23 ILE 20 HG23 ILE 20 -4.915 14.250 -17.190 177 HD11 ILE 20 HD11 ILE 20 -2.251 13.812 -19.910 178 HD12 ILE 20 HD12 ILE 20 -0.669 14.570 -20.083 179 HD13 ILE 20 HD13 ILE 20 -2.128 15.520 -20.350 180 H GLY 21 HN GLY 21 -4.444 17.693 -16.250 181 HA2 GLY 21 HA2 GLY 21 -7.118 16.867 -15.861 182 HA3 GLY 21 HA1 GLY 21 -6.321 18.199 -15.033 183 H GLY 22 HN GLY 22 -5.688 19.731 -17.383 184 HA2 GLY 22 HA2 GLY 22 -8.075 21.242 -17.723 185 HA3 GLY 22 HA1 GLY 22 -6.559 21.483 -18.577 186 H LYS 23 HN LYS 23 -6.306 19.014 -19.930 187 HA LYS 23 HA LYS 23 -8.098 19.469 -22.134 188 HB2 LYS 23 HB2 LYS 23 -6.890 17.693 -23.335 189 HB3 LYS 23 HB1 LYS 23 -5.791 18.855 -22.626 190 HG2 LYS 23 HG2 LYS 23 -4.655 16.914 -22.154 191 HG3 LYS 23 HG1 LYS 23 -5.607 17.074 -20.684 192 HD2 LYS 23 HD2 LYS 23 -7.251 15.437 -21.611 193 HD3 LYS 23 HD1 LYS 23 -6.231 15.250 -23.042 194 HE2 LYS 23 HE2 LYS 23 -4.386 14.430 -21.580 195 HE3 LYS 23 HE1 LYS 23 -5.441 14.597 -20.178 196 HZ1 LYS 23 HZ1 LYS 23 -5.362 12.342 -20.921 197 HZ2 LYS 23 HZ2 LYS 23 -5.858 12.784 -22.476 198 HZ3 LYS 23 HZ3 LYS 23 -6.918 12.957 -21.175 199 H MET 24 HN MET 24 -7.841 17.031 -19.590 200 HA MET 24 HA MET 24 -9.835 15.251 -20.534 201 HB2 MET 24 HB2 MET 24 -8.789 15.821 -17.744 202 HB3 MET 24 HB1 MET 24 -10.111 14.686 -17.996 203 HG2 MET 24 HG2 MET 24 -8.507 13.479 -19.613 204 HG3 MET 24 HG1 MET 24 -7.240 14.458 -18.876 205 HE1 MET 24 HE1 MET 24 -9.004 14.413 -15.826 206 HE2 MET 24 HE2 MET 24 -7.257 14.612 -16.013 207 HE3 MET 24 HE3 MET 24 -7.896 13.292 -15.031 208 H ALA 25 HN ALA 25 -9.990 18.003 -18.251 209 HA ALA 25 HA ALA 25 -12.724 18.095 -17.746 210 HB1 ALA 25 HB1 ALA 25 -11.073 19.462 -16.524 211 HB2 ALA 25 HB2 ALA 25 -12.386 20.463 -17.148 212 HB3 ALA 25 HB3 ALA 25 -10.816 20.456 -17.960 213 H LYS 26 HN LYS 26 -10.857 19.655 -20.281 214 HA LYS 26 HA LYS 26 -12.751 21.188 -21.563 215 HB2 LYS 26 HB2 LYS 26 -10.251 21.144 -21.951 216 HB3 LYS 26 HB1 LYS 26 -10.467 19.680 -22.900 217 HG2 LYS 26 HG2 LYS 26 -11.927 20.998 -24.478 218 HG3 LYS 26 HG1 LYS 26 -11.524 22.454 -23.560 219 HD2 LYS 26 HD2 LYS 26 -9.554 20.664 -25.050 220 HD3 LYS 26 HD1 LYS 26 -10.102 22.258 -25.571 221 HE2 LYS 26 HE2 LYS 26 -8.973 23.314 -23.678 222 HE3 LYS 26 HE1 LYS 26 -8.546 21.739 -23.004 223 HZ1 LYS 26 HZ1 LYS 26 -6.690 22.723 -24.147 224 HZ2 LYS 26 HZ2 LYS 26 -7.583 22.851 -25.572 225 HZ3 LYS 26 HZ3 LYS 26 -7.187 21.327 -24.960 226 H MET 27 HN MET 27 -11.737 17.875 -22.376 227 HA MET 27 HA MET 27 -13.622 17.405 -24.454 228 HB2 MET 27 HB2 MET 27 -11.980 15.438 -22.812 229 HB3 MET 27 HB1 MET 27 -12.851 15.032 -24.288 230 HG2 MET 27 HG2 MET 27 -11.413 16.606 -25.552 231 HG3 MET 27 HG1 MET 27 -10.521 16.957 -24.070 232 HE1 MET 27 HE1 MET 27 -10.511 13.893 -22.774 233 HE2 MET 27 HE2 MET 27 -9.158 15.024 -22.704 234 HE3 MET 27 HE3 MET 27 -8.915 13.393 -23.330 235 H GLN 28 HN GLN 28 -13.695 16.793 -20.970 236 HA GLN 28 HA GLN 28 -16.059 15.156 -20.933 237 HB2 GLN 28 HB2 GLN 28 -14.662 16.763 -18.748 238 HB3 GLN 28 HB1 GLN 28 -16.111 15.808 -18.438 239 HG2 GLN 28 HG2 GLN 28 -13.413 14.757 -19.356 240 HG3 GLN 28 HG1 GLN 28 -14.125 14.570 -17.751 241 HE21 GLN 28 HE21 GLN 28 -14.116 13.437 -21.034 242 HE22 GLN 28 HE22 GLN 28 -15.164 12.085 -20.800 243 H GLY 29 HN GLY 29 -15.449 18.539 -21.196 244 HA2 GLY 29 HA2 GLY 29 -17.240 19.782 -22.334 245 HA3 GLY 29 HA1 GLY 29 -18.376 19.090 -21.181 246 H PHE 30 HN PHE 30 -15.177 20.660 -20.962 247 HA PHE 30 HA PHE 30 -16.329 22.865 -19.355 248 HB2 PHE 30 HB2 PHE 30 -13.852 21.269 -18.523 249 HB3 PHE 30 HB1 PHE 30 -14.332 22.797 -17.801 250 HD1 PHE 30 HD1 PHE 30 -16.484 22.923 -16.473 251 HD2 PHE 30 HD2 PHE 30 -14.841 19.193 -17.779 252 HE1 PHE 30 HE1 PHE 30 -17.841 21.723 -14.803 253 HE2 PHE 30 HE2 PHE 30 -16.200 18.010 -16.106 254 HZ PHE 30 HZ PHE 30 -17.697 19.276 -14.617 255 H ASP 31 HN ASP 31 -14.638 24.609 -19.071 256 HA ASP 31 HA ASP 31 -12.384 24.673 -20.871 257 HB2 ASP 31 HB2 ASP 31 -14.218 25.466 -22.366 258 HB3 ASP 31 HB1 ASP 31 -14.656 26.702 -21.191 259 H LEU 32 HN LEU 32 -11.233 24.764 -18.992 260 HA LEU 32 HA LEU 32 -11.761 26.567 -16.828 261 HB2 LEU 32 HB2 LEU 32 -9.145 25.118 -17.438 262 HB3 LEU 32 HB1 LEU 32 -9.681 25.728 -15.877 263 HG LEU 32 HG LEU 32 -10.863 23.358 -17.395 264 HD11 LEU 32 HD11 LEU 32 -10.024 21.992 -15.549 265 HD12 LEU 32 HD12 LEU 32 -9.319 23.419 -14.786 266 HD13 LEU 32 HD13 LEU 32 -8.710 22.856 -16.345 267 HD21 LEU 32 HD21 LEU 32 -11.757 24.485 -14.712 268 HD22 LEU 32 HD22 LEU 32 -12.336 22.987 -15.448 269 HD23 LEU 32 HD23 LEU 32 -12.672 24.532 -16.222 270 HA PRO 33 HA PRO 33 -10.215 30.258 -18.896 271 HB2 PRO 33 HB2 PRO 33 -9.609 31.249 -16.113 272 HB3 PRO 33 HB1 PRO 33 -10.570 32.005 -17.393 273 HG2 PRO 33 HG2 PRO 33 -11.784 30.861 -15.311 274 HG3 PRO 33 HG1 PRO 33 -12.450 30.671 -16.949 275 HD2 PRO 33 HD2 PRO 33 -10.817 28.710 -15.327 276 HD3 PRO 33 HD1 PRO 33 -12.255 28.419 -16.333 277 H GLN 34 HN GLN 34 -8.355 29.785 -19.948 278 HA GLN 34 HA GLN 34 -5.887 29.055 -18.643 279 HB2 GLN 34 HB2 GLN 34 -6.474 29.685 -21.570 280 HB3 GLN 34 HB1 GLN 34 -4.972 28.984 -20.972 281 HG2 GLN 34 HG2 GLN 34 -7.723 27.688 -20.858 282 HG3 GLN 34 HG1 GLN 34 -6.422 27.282 -21.980 283 HE21 GLN 34 HE21 GLN 34 -7.516 27.070 -18.656 284 HE22 GLN 34 HE22 GLN 34 -6.424 25.828 -18.167 285 H SER 35 HN SER 35 -7.316 32.030 -19.758 286 HA SER 35 HA SER 35 -4.983 33.462 -20.411 287 HB2 SER 35 HB2 SER 35 -7.709 34.550 -19.607 288 HB3 SER 35 HB1 SER 35 -6.417 35.489 -20.358 289 HG SER 35 HG SER 35 -6.634 34.304 -22.206 290 HA PRO 36 HA PRO 36 -5.235 35.656 -16.000 291 HB2 PRO 36 HB2 PRO 36 -6.418 33.505 -14.264 292 HB3 PRO 36 HB1 PRO 36 -6.663 35.258 -14.207 293 HG2 PRO 36 HG2 PRO 36 -8.569 33.681 -15.190 294 HG3 PRO 36 HG1 PRO 36 -8.191 35.227 -15.983 295 HD2 PRO 36 HD2 PRO 36 -7.317 32.433 -16.769 296 HD3 PRO 36 HD1 PRO 36 -7.971 33.728 -17.799 297 H GLN 37 HN GLN 37 -4.943 32.117 -15.835 298 HA GLN 37 HA GLN 37 -3.092 30.820 -15.838 299 HB2 GLN 37 HB2 GLN 37 -1.536 33.148 -14.700 300 HB3 GLN 37 HB1 GLN 37 -0.855 31.523 -14.748 301 HG2 GLN 37 HG2 GLN 37 -1.022 31.467 -17.163 302 HG3 GLN 37 HG1 GLN 37 -1.884 33.005 -17.190 303 HE21 GLN 37 HE21 GLN 37 -0.715 34.919 -16.905 304 HE22 GLN 37 HE22 GLN 37 1.007 34.978 -16.967 305 HA PRO 38 HA PRO 38 -2.587 30.122 -11.043 306 HB2 PRO 38 HB2 PRO 38 -3.826 31.786 -9.238 307 HB3 PRO 38 HB1 PRO 38 -2.183 32.072 -9.837 308 HG2 PRO 38 HG2 PRO 38 -4.787 33.259 -10.846 309 HG3 PRO 38 HG1 PRO 38 -3.285 34.105 -10.397 310 HD2 PRO 38 HD2 PRO 38 -3.810 33.577 -12.954 311 HD3 PRO 38 HD1 PRO 38 -2.152 33.381 -12.348 312 H VAL 39 HN VAL 39 -5.613 31.422 -12.254 313 HA VAL 39 HA VAL 39 -7.425 30.029 -10.585 314 HB VAL 39 HB VAL 39 -9.172 30.572 -12.226 315 HG11 VAL 39 HG11 VAL 39 -8.463 32.368 -10.699 316 HG12 VAL 39 HG12 VAL 39 -8.947 33.039 -12.257 317 HG13 VAL 39 HG13 VAL 39 -7.233 32.889 -11.855 318 HG21 VAL 39 HG21 VAL 39 -7.972 30.069 -14.319 319 HG22 VAL 39 HG22 VAL 39 -6.923 31.467 -14.076 320 HG23 VAL 39 HG23 VAL 39 -8.647 31.701 -14.376 321 H ARG 40 HN ARG 40 -5.622 29.054 -13.424 322 HA ARG 40 HA ARG 40 -7.096 26.821 -14.309 323 HB2 ARG 40 HB2 ARG 40 -4.071 27.245 -14.346 324 HB3 ARG 40 HB1 ARG 40 -4.917 25.994 -15.258 325 HG2 ARG 40 HG2 ARG 40 -6.051 27.696 -16.600 326 HG3 ARG 40 HG1 ARG 40 -5.307 28.981 -15.638 327 HD2 ARG 40 HD2 ARG 40 -4.130 28.676 -17.775 328 HD3 ARG 40 HD1 ARG 40 -3.076 28.290 -16.411 329 HE ARG 40 HE ARG 40 -4.476 26.043 -17.637 330 HH11 ARG 40 HH11 ARG 40 -1.487 27.871 -17.516 331 HH12 ARG 40 HH12 ARG 40 -0.552 26.613 -18.254 332 HH21 ARG 40 HH21 ARG 40 -3.238 24.402 -18.596 333 HH22 ARG 40 HH22 ARG 40 -1.543 24.652 -18.865 334 H VAL 41 HN VAL 41 -4.627 27.177 -11.805 335 HA VAL 41 HA VAL 41 -4.070 24.467 -11.303 336 HB VAL 41 HB VAL 41 -3.763 26.897 -9.468 337 HG11 VAL 41 HG11 VAL 41 -3.670 24.828 -8.137 338 HG12 VAL 41 HG12 VAL 41 -2.082 25.584 -8.215 339 HG13 VAL 41 HG13 VAL 41 -2.438 24.172 -9.212 340 HG21 VAL 41 HG21 VAL 41 -2.530 27.103 -11.608 341 HG22 VAL 41 HG22 VAL 41 -1.730 25.556 -11.304 342 HG23 VAL 41 HG23 VAL 41 -1.412 26.937 -10.249 343 H LYS 42 HN LYS 42 -6.235 26.708 -9.578 344 HA LYS 42 HA LYS 42 -7.201 24.711 -7.749 345 HB2 LYS 42 HB2 LYS 42 -7.004 27.313 -7.441 346 HB3 LYS 42 HB1 LYS 42 -8.570 27.379 -8.228 347 HG2 LYS 42 HG2 LYS 42 -8.060 25.719 -5.744 348 HG3 LYS 42 HG1 LYS 42 -8.524 27.415 -5.654 349 HD2 LYS 42 HD2 LYS 42 -10.169 25.176 -6.909 350 HD3 LYS 42 HD1 LYS 42 -10.464 25.910 -5.333 351 HE2 LYS 42 HE2 LYS 42 -10.596 27.378 -7.995 352 HE3 LYS 42 HE1 LYS 42 -11.988 26.788 -7.089 353 HZ1 LYS 42 HZ1 LYS 42 -11.413 28.251 -5.286 354 HZ2 LYS 42 HZ2 LYS 42 -11.581 29.135 -6.717 355 HZ3 LYS 42 HZ3 LYS 42 -10.043 28.794 -6.114 356 H ALA 43 HN ALA 43 -8.280 26.000 -10.841 357 HA ALA 43 HA ALA 43 -10.922 24.971 -10.919 358 HB1 ALA 43 HB1 ALA 43 -10.110 26.674 -12.507 359 HB2 ALA 43 HB2 ALA 43 -10.794 25.288 -13.356 360 HB3 ALA 43 HB3 ALA 43 -9.041 25.484 -13.254 361 H VAL 44 HN VAL 44 -7.848 23.633 -12.100 362 HA VAL 44 HA VAL 44 -8.761 21.170 -13.108 363 HB VAL 44 HB VAL 44 -6.012 21.977 -12.035 364 HG11 VAL 44 HG11 VAL 44 -5.087 19.952 -13.128 365 HG12 VAL 44 HG12 VAL 44 -6.721 19.413 -13.523 366 HG13 VAL 44 HG13 VAL 44 -6.213 19.523 -11.837 367 HG21 VAL 44 HG21 VAL 44 -6.754 23.149 -14.099 368 HG22 VAL 44 HG22 VAL 44 -6.973 21.591 -14.900 369 HG23 VAL 44 HG23 VAL 44 -5.362 22.108 -14.397 370 H TYR 45 HN TYR 45 -7.520 22.120 -9.901 371 HA TYR 45 HA TYR 45 -7.627 19.727 -8.521 372 HB2 TYR 45 HB2 TYR 45 -6.649 21.532 -7.395 373 HB3 TYR 45 HB1 TYR 45 -7.993 22.613 -7.722 374 HD1 TYR 45 HD1 TYR 45 -6.950 19.697 -5.593 375 HD2 TYR 45 HD2 TYR 45 -9.734 22.905 -6.130 376 HE1 TYR 45 HE1 TYR 45 -7.851 19.312 -3.331 377 HE2 TYR 45 HE2 TYR 45 -10.619 22.516 -3.885 378 HH TYR 45 HH TYR 45 -10.757 20.815 -2.254 379 H LEU 46 HN LEU 46 -10.310 22.131 -8.739 380 HA LEU 46 HA LEU 46 -12.267 20.729 -7.304 381 HB2 LEU 46 HB2 LEU 46 -12.644 22.668 -9.622 382 HB3 LEU 46 HB1 LEU 46 -13.957 22.095 -8.599 383 HG LEU 46 HG LEU 46 -11.615 23.833 -7.718 384 HD11 LEU 46 HD11 LEU 46 -13.324 25.558 -7.357 385 HD12 LEU 46 HD12 LEU 46 -14.569 24.476 -7.989 386 HD13 LEU 46 HD13 LEU 46 -13.269 25.044 -9.043 387 HD21 LEU 46 HD21 LEU 46 -13.923 22.773 -6.041 388 HD22 LEU 46 HD22 LEU 46 -12.728 23.962 -5.515 389 HD23 LEU 46 HD23 LEU 46 -12.224 22.317 -5.889 390 H PHE 47 HN PHE 47 -11.574 20.754 -10.775 391 HA PHE 47 HA PHE 47 -13.557 19.016 -11.694 392 HB2 PHE 47 HB2 PHE 47 -12.426 20.206 -13.392 393 HB3 PHE 47 HB1 PHE 47 -10.834 19.811 -12.754 394 HD1 PHE 47 HD2 PHE 47 -13.838 18.078 -14.261 395 HD2 PHE 47 HD1 PHE 47 -9.575 18.184 -13.877 396 HE1 PHE 47 HE2 PHE 47 -13.642 16.170 -15.805 397 HE2 PHE 47 HE1 PHE 47 -9.384 16.284 -15.413 398 HZ PHE 47 HZ PHE 47 -11.423 15.268 -16.379 399 H LEU 48 HN LEU 48 -10.238 18.260 -10.584 400 HA LEU 48 HA LEU 48 -10.325 15.481 -11.147 401 HB2 LEU 48 HB2 LEU 48 -8.512 17.040 -9.281 402 HB3 LEU 48 HB1 LEU 48 -8.288 15.339 -9.671 403 HG LEU 48 HG LEU 48 -8.076 17.666 -11.620 404 HD11 LEU 48 HD11 LEU 48 -5.701 17.082 -11.721 405 HD12 LEU 48 HD12 LEU 48 -5.945 15.825 -10.507 406 HD13 LEU 48 HD13 LEU 48 -6.189 17.521 -10.086 407 HD21 LEU 48 HD21 LEU 48 -7.343 16.015 -13.293 408 HD22 LEU 48 HD22 LEU 48 -8.999 15.711 -12.776 409 HD23 LEU 48 HD23 LEU 48 -7.687 14.701 -12.163 410 H VAL 49 HN VAL 49 -11.149 17.360 -8.262 411 HA VAL 49 HA VAL 49 -11.413 15.147 -6.477 412 HB VAL 49 HB VAL 49 -12.717 17.911 -6.324 413 HG11 VAL 49 HG11 VAL 49 -12.473 15.779 -4.159 414 HG12 VAL 49 HG12 VAL 49 -13.970 16.297 -4.944 415 HG13 VAL 49 HG13 VAL 49 -13.082 17.421 -3.914 416 HG21 VAL 49 HG21 VAL 49 -10.230 16.841 -4.926 417 HG22 VAL 49 HG22 VAL 49 -10.928 18.446 -4.698 418 HG23 VAL 49 HG23 VAL 49 -10.240 17.997 -6.258 419 H ASP 50 HN ASP 50 -13.715 16.942 -8.535 420 HA ASP 50 HA ASP 50 -16.010 15.334 -8.014 421 HB2 ASP 50 HB2 ASP 50 -15.265 17.329 -10.165 422 HB3 ASP 50 HB1 ASP 50 -16.726 16.372 -10.359 423 H ALA 51 HN ALA 51 -13.326 15.012 -10.226 424 HA ALA 51 HA ALA 51 -14.529 12.929 -11.860 425 HB1 ALA 51 HB1 ALA 51 -11.676 13.992 -11.845 426 HB2 ALA 51 HB2 ALA 51 -12.985 14.593 -12.864 427 HB3 ALA 51 HB3 ALA 51 -12.394 12.946 -13.076 428 H LYS 52 HN LYS 52 -13.249 13.002 -8.813 429 HA LYS 52 HA LYS 52 -12.646 11.480 -7.269 430 HB2 LYS 52 HB2 LYS 52 -13.609 9.409 -9.293 431 HB3 LYS 52 HB1 LYS 52 -13.371 9.129 -7.565 432 HG2 LYS 52 HG2 LYS 52 -15.413 10.985 -8.845 433 HG3 LYS 52 HG1 LYS 52 -15.745 9.452 -8.027 434 HD2 LYS 52 HD2 LYS 52 -15.064 10.389 -5.880 435 HD3 LYS 52 HD1 LYS 52 -14.500 11.872 -6.654 436 HE2 LYS 52 HE2 LYS 52 -16.655 12.232 -5.559 437 HE3 LYS 52 HE1 LYS 52 -16.813 12.419 -7.308 438 HZ1 LYS 52 HZ1 LYS 52 -17.580 10.028 -5.722 439 HZ2 LYS 52 HZ2 LYS 52 -17.689 10.159 -7.403 440 HZ3 LYS 52 HZ3 LYS 52 -18.635 11.153 -6.419 441 H GLN 53 HN GLN 53 -10.773 12.389 -9.262 442 HA GLN 53 HA GLN 53 -8.735 10.375 -9.565 443 HB2 GLN 53 HB2 GLN 53 -8.734 13.395 -10.017 444 HB3 GLN 53 HB1 GLN 53 -7.394 12.330 -10.421 445 HG2 GLN 53 HG2 GLN 53 -10.169 12.193 -11.631 446 HG3 GLN 53 HG1 GLN 53 -8.757 12.925 -12.391 447 HE21 GLN 53 HE21 GLN 53 -10.447 10.702 -13.292 448 HE22 GLN 53 HE22 GLN 53 -9.385 9.364 -13.545 449 H ILE 54 HN ILE 54 -9.316 13.261 -7.548 450 HA ILE 54 HA ILE 54 -7.407 12.254 -5.523 451 HB ILE 54 HB ILE 54 -6.771 14.619 -4.951 452 HG12 ILE 54 HG12 ILE 54 -8.199 15.339 -7.556 453 HG13 ILE 54 HG11 ILE 54 -8.726 15.796 -5.942 454 HG21 ILE 54 HG21 ILE 54 -6.059 13.801 -7.780 455 HG22 ILE 54 HG22 ILE 54 -5.265 13.249 -6.304 456 HG23 ILE 54 HG23 ILE 54 -5.160 14.945 -6.777 457 HD11 ILE 54 HD11 ILE 54 -6.214 16.727 -7.332 458 HD12 ILE 54 HD12 ILE 54 -6.704 17.179 -5.697 459 HD13 ILE 54 HD13 ILE 54 -7.690 17.660 -7.080 460 H ALA 55 HN ALA 55 -7.771 13.165 -3.400 461 HA ALA 55 HA ALA 55 -10.576 13.591 -2.676 462 HB1 ALA 55 HB1 ALA 55 -9.757 13.247 -0.354 463 HB2 ALA 55 HB2 ALA 55 -8.098 13.143 -0.951 464 HB3 ALA 55 HB3 ALA 55 -9.278 11.913 -1.405 465 HA PRO 56 HA PRO 56 -9.820 18.001 -2.181 466 HB2 PRO 56 HB2 PRO 56 -11.778 18.757 -0.459 467 HB3 PRO 56 HB1 PRO 56 -12.138 18.194 -2.098 468 HG2 PRO 56 HG2 PRO 56 -12.262 16.661 0.501 469 HG3 PRO 56 HG1 PRO 56 -13.452 16.710 -0.819 470 HD2 PRO 56 HD2 PRO 56 -11.629 14.679 -0.534 471 HD3 PRO 56 HD1 PRO 56 -12.262 15.183 -2.116 472 H LEU 57 HN LEU 57 -9.221 19.657 -0.715 473 HA LEU 57 HA LEU 57 -7.720 18.871 1.675 474 HB2 LEU 57 HB2 LEU 57 -7.858 21.408 -0.014 475 HB3 LEU 57 HB1 LEU 57 -6.893 21.286 1.450 476 HG LEU 57 HG LEU 57 -6.436 19.393 -0.889 477 HD11 LEU 57 HD11 LEU 57 -4.647 20.865 -1.690 478 HD12 LEU 57 HD12 LEU 57 -5.099 22.091 -0.504 479 HD13 LEU 57 HD13 LEU 57 -6.219 21.655 -1.798 480 HD21 LEU 57 HD21 LEU 57 -4.622 20.296 1.387 481 HD22 LEU 57 HD22 LEU 57 -4.190 19.157 0.107 482 HD23 LEU 57 HD23 LEU 57 -5.443 18.736 1.270 483 HA PRO 58 HA PRO 58 -10.766 21.062 4.365 484 HB2 PRO 58 HB2 PRO 58 -9.099 21.982 6.354 485 HB3 PRO 58 HB1 PRO 58 -9.629 20.297 6.250 486 HG2 PRO 58 HG2 PRO 58 -7.037 21.526 5.306 487 HG3 PRO 58 HG1 PRO 58 -7.289 20.030 6.234 488 HD2 PRO 58 HD2 PRO 58 -6.855 19.968 3.564 489 HD3 PRO 58 HD1 PRO 58 -7.967 18.817 4.341 490 H ASP 59 HN ASP 59 -11.174 23.297 5.116 491 HA ASP 59 HA ASP 59 -10.670 25.266 3.162 492 HB2 ASP 59 HB2 ASP 59 -11.657 25.630 6.030 493 HB3 ASP 59 HB1 ASP 59 -11.787 26.837 4.748 494 H SER 60 HN SER 60 -9.045 24.498 6.168 495 HA SER 60 HA SER 60 -7.432 26.828 6.443 496 HB2 SER 60 HB2 SER 60 -6.988 24.017 7.531 497 HB3 SER 60 HB1 SER 60 -6.180 25.481 8.103 498 HG SER 60 HG SER 60 -8.328 26.283 8.587 499 H LYS 61 HN LYS 61 -7.039 23.794 4.695 500 HA LYS 61 HA LYS 61 -4.348 24.575 3.748 501 HB2 LYS 61 HB2 LYS 61 -5.499 21.971 4.546 502 HB3 LYS 61 HB1 LYS 61 -4.762 21.885 2.954 503 HG2 LYS 61 HG2 LYS 61 -3.172 21.266 4.732 504 HG3 LYS 61 HG1 LYS 61 -2.640 22.684 3.822 505 HD2 LYS 61 HD2 LYS 61 -3.685 24.088 5.745 506 HD3 LYS 61 HD1 LYS 61 -3.745 22.573 6.656 507 HE2 LYS 61 HE2 LYS 61 -1.301 22.342 6.418 508 HE3 LYS 61 HE1 LYS 61 -1.258 23.821 5.451 509 HZ1 LYS 61 HZ1 LYS 61 -2.083 23.628 8.286 510 HZ2 LYS 61 HZ2 LYS 61 -2.070 25.047 7.369 511 HZ3 LYS 61 HZ3 LYS 61 -0.619 24.253 7.723 512 H LEU 62 HN LEU 62 -7.133 25.381 2.793 513 HA LEU 62 HA LEU 62 -6.981 24.562 -0.029 514 HB2 LEU 62 HB2 LEU 62 -9.179 25.033 1.501 515 HB3 LEU 62 HB1 LEU 62 -8.947 26.660 0.896 516 HG LEU 62 HG LEU 62 -10.584 25.392 -0.454 517 HD11 LEU 62 HD11 LEU 62 -8.084 25.991 -2.052 518 HD12 LEU 62 HD12 LEU 62 -9.325 27.155 -1.585 519 HD13 LEU 62 HD13 LEU 62 -9.726 25.845 -2.691 520 HD21 LEU 62 HD21 LEU 62 -8.290 23.520 -1.126 521 HD22 LEU 62 HD22 LEU 62 -9.918 23.469 -1.818 522 HD23 LEU 62 HD23 LEU 62 -9.680 23.138 -0.104 523 H ASP 63 HN ASP 63 -4.862 25.405 -0.082 524 HA ASP 63 HA ASP 63 -4.599 28.323 -0.532 525 HB2 ASP 63 HB2 ASP 63 -3.486 27.968 1.555 526 HB3 ASP 63 HB1 ASP 63 -2.847 26.407 1.059 527 H GLY 64 HN GLY 64 -3.089 28.864 -2.198 528 HA2 GLY 64 HA2 GLY 64 -3.334 27.464 -4.552 529 HA3 GLY 64 HA1 GLY 64 -2.086 28.664 -4.246 530 H ALA 65 HN ALA 65 -0.499 27.369 -2.352 531 HA ALA 65 HA ALA 65 1.105 25.678 -4.023 532 HB1 ALA 65 HB1 ALA 65 2.611 25.547 -2.076 533 HB2 ALA 65 HB2 ALA 65 1.366 26.280 -1.055 534 HB3 ALA 65 HB3 ALA 65 2.092 27.205 -2.372 535 H ASN 66 HN ASN 66 -1.161 25.081 -1.364 536 HA ASN 66 HA ASN 66 -0.594 22.283 -1.029 537 HB2 ASN 66 HB2 ASN 66 -2.964 24.000 -0.182 538 HB3 ASN 66 HB1 ASN 66 -2.863 22.279 0.179 539 HD21 ASN 66 HD21 ASN 66 -1.321 25.397 0.764 540 HD22 ASN 66 HD22 ASN 66 -0.524 24.926 2.220 541 H ILE 67 HN ILE 67 -2.895 24.107 -2.972 542 HA ILE 67 HA ILE 67 -4.384 22.013 -4.113 543 HB ILE 67 HB ILE 67 -3.593 24.704 -5.341 544 HG12 ILE 67 HG12 ILE 67 -4.923 24.948 -3.238 545 HG13 ILE 67 HG11 ILE 67 -5.810 25.531 -4.635 546 HG21 ILE 67 HG21 ILE 67 -5.750 22.766 -6.233 547 HG22 ILE 67 HG22 ILE 67 -4.267 23.154 -7.102 548 HG23 ILE 67 HG23 ILE 67 -5.507 24.388 -6.885 549 HD11 ILE 67 HD11 ILE 67 -7.245 24.323 -3.121 550 HD12 ILE 67 HD12 ILE 67 -6.223 22.891 -3.244 551 HD13 ILE 67 HD13 ILE 67 -7.113 23.467 -4.658 552 H LYS 68 HN LYS 68 -1.374 23.617 -5.095 553 HA LYS 68 HA LYS 68 -0.788 22.233 -7.455 554 HB2 LYS 68 HB2 LYS 68 1.035 23.532 -5.392 555 HB3 LYS 68 HB1 LYS 68 1.611 22.919 -6.938 556 HG2 LYS 68 HG2 LYS 68 0.092 24.499 -8.107 557 HG3 LYS 68 HG1 LYS 68 -0.402 25.145 -6.539 558 HD2 LYS 68 HD2 LYS 68 1.961 25.795 -6.094 559 HD3 LYS 68 HD1 LYS 68 2.407 25.198 -7.697 560 HE2 LYS 68 HE2 LYS 68 0.820 26.878 -8.689 561 HE3 LYS 68 HE1 LYS 68 0.553 27.522 -7.064 562 HZ1 LYS 68 HZ1 LYS 68 2.199 28.815 -8.181 563 HZ2 LYS 68 HZ2 LYS 68 3.116 27.445 -8.550 564 HZ3 LYS 68 HZ3 LYS 68 2.959 27.950 -6.941 565 H HIS 69 HN HIS 69 -0.154 21.435 -4.079 566 HA HIS 69 HA HIS 69 1.620 19.251 -4.509 567 HB2 HIS 69 HB2 HIS 69 1.370 20.584 -2.361 568 HB3 HIS 69 HB1 HIS 69 -0.155 19.753 -2.077 569 HD1 HIS 69 HD1 HIS 69 3.439 18.685 -2.812 570 HD2 HIS 69 HD2 HIS 69 0.237 17.664 -0.385 571 HE1 HIS 69 HE1 HIS 69 4.271 16.809 -1.375 572 HE2 HIS 69 HE2 HIS 69 2.368 16.342 0.201 573 H ARG 70 HN ARG 70 -1.907 19.474 -4.040 574 HA ARG 70 HA ARG 70 -2.634 16.757 -4.169 575 HB2 ARG 70 HB2 ARG 70 -4.060 19.319 -4.948 576 HB3 ARG 70 HB1 ARG 70 -4.807 17.775 -5.332 577 HG2 ARG 70 HG2 ARG 70 -4.029 18.662 -2.540 578 HG3 ARG 70 HG1 ARG 70 -5.649 18.795 -3.232 579 HD2 ARG 70 HD2 ARG 70 -5.640 16.296 -3.553 580 HD3 ARG 70 HD1 ARG 70 -4.098 16.235 -2.687 581 HE ARG 70 HE ARG 70 -6.662 17.171 -1.513 582 HH11 ARG 70 HH11 ARG 70 -3.560 15.563 -1.109 583 HH12 ARG 70 HH12 ARG 70 -3.864 15.138 0.545 584 HH21 ARG 70 HH21 ARG 70 -7.039 16.615 0.650 585 HH22 ARG 70 HH22 ARG 70 -5.839 15.724 1.533 586 H LEU 71 HN LEU 71 -2.290 19.161 -6.763 587 HA LEU 71 HA LEU 71 -3.026 17.525 -8.937 588 HB2 LEU 71 HB2 LEU 71 -1.250 19.993 -8.942 589 HB3 LEU 71 HB1 LEU 71 -2.031 19.293 -10.347 590 HG LEU 71 HG LEU 71 -3.351 20.741 -8.038 591 HD11 LEU 71 HD11 LEU 71 -3.302 21.347 -11.004 592 HD12 LEU 71 HD12 LEU 71 -2.369 22.171 -9.750 593 HD13 LEU 71 HD13 LEU 71 -4.126 22.287 -9.754 594 HD21 LEU 71 HD21 LEU 71 -4.781 18.841 -8.530 595 HD22 LEU 71 HD22 LEU 71 -4.746 19.211 -10.256 596 HD23 LEU 71 HD23 LEU 71 -5.530 20.319 -9.128 597 H ALA 72 HN ALA 72 0.065 18.215 -7.436 598 HA ALA 72 HA ALA 72 1.764 17.177 -9.477 599 HB1 ALA 72 HB1 ALA 72 2.524 18.856 -7.861 600 HB2 ALA 72 HB2 ALA 72 3.552 17.422 -7.820 601 HB3 ALA 72 HB3 ALA 72 2.356 17.690 -6.547 602 H LEU 73 HN LEU 73 0.738 15.896 -6.283 603 HA LEU 73 HA LEU 73 2.018 13.375 -6.482 604 HB2 LEU 73 HB2 LEU 73 -0.385 14.297 -4.873 605 HB3 LEU 73 HB1 LEU 73 0.316 12.692 -4.698 606 HG LEU 73 HG LEU 73 1.890 15.260 -4.217 607 HD11 LEU 73 HD11 LEU 73 0.530 13.493 -2.168 608 HD12 LEU 73 HD12 LEU 73 0.068 15.140 -2.607 609 HD13 LEU 73 HD13 LEU 73 1.615 14.844 -1.819 610 HD21 LEU 73 HD21 LEU 73 3.287 13.304 -4.771 611 HD22 LEU 73 HD22 LEU 73 2.518 12.371 -3.484 612 HD23 LEU 73 HD23 LEU 73 3.506 13.781 -3.087 613 H TRP 74 HN TRP 74 -1.169 14.528 -7.457 614 HA TRP 74 HA TRP 74 -2.390 12.153 -8.261 615 HB2 TRP 74 HB2 TRP 74 -3.705 14.189 -8.223 616 HB3 TRP 74 HB1 TRP 74 -2.658 14.968 -9.406 617 HD1 TRP 74 HD1 TRP 74 -4.999 11.848 -9.266 618 HE1 TRP 74 HE1 TRP 74 -6.073 11.557 -11.579 619 HE3 TRP 74 HE3 TRP 74 -2.714 15.703 -11.723 620 HZ2 TRP 74 HZ2 TRP 74 -5.991 12.788 -14.096 621 HZ3 TRP 74 HZ3 TRP 74 -3.276 16.089 -14.093 622 HH2 TRP 74 HH2 TRP 74 -4.884 14.656 -15.252 623 H ILE 75 HN ILE 75 -0.580 14.463 -10.327 624 HA ILE 75 HA ILE 75 -0.653 12.796 -12.636 625 HB ILE 75 HB ILE 75 -0.527 15.336 -12.663 626 HG12 ILE 75 HG12 ILE 75 0.910 15.464 -14.710 627 HG13 ILE 75 HG11 ILE 75 1.562 13.871 -14.341 628 HG21 ILE 75 HG21 ILE 75 1.226 15.668 -10.994 629 HG22 ILE 75 HG22 ILE 75 1.673 16.430 -12.521 630 HG23 ILE 75 HG23 ILE 75 2.411 14.899 -12.052 631 HD11 ILE 75 HD11 ILE 75 -1.321 14.480 -14.985 632 HD12 ILE 75 HD12 ILE 75 -0.638 12.881 -14.670 633 HD13 ILE 75 HD13 ILE 75 -0.126 13.795 -16.086 634 H HIS 76 HN HIS 76 1.511 13.083 -9.932 635 HA HIS 76 HA HIS 76 3.796 11.759 -11.024 636 HB2 HIS 76 HB2 HIS 76 3.688 13.144 -8.819 637 HB3 HIS 76 HB1 HIS 76 2.997 11.708 -8.078 638 HD1 HIS 76 HD1 HIS 76 4.863 10.898 -6.619 639 HD2 HIS 76 HD2 HIS 76 6.167 11.837 -10.460 640 HE1 HIS 76 HE1 HIS 76 7.272 10.208 -6.712 641 HE2 HIS 76 HE2 HIS 76 8.043 10.784 -9.034 642 H ALA 77 HN ALA 77 0.771 10.692 -9.589 643 HA ALA 77 HA ALA 77 1.454 7.849 -9.781 644 HB1 ALA 77 HB1 ALA 77 -0.849 7.488 -8.967 645 HB2 ALA 77 HB2 ALA 77 -1.180 9.219 -9.108 646 HB3 ALA 77 HB3 ALA 77 0.014 8.640 -7.945 647 H ALA 78 HN ALA 78 -0.309 10.289 -11.634 648 HA ALA 78 HA ALA 78 -1.999 8.488 -13.091 649 HB1 ALA 78 HB1 ALA 78 -2.796 10.485 -14.274 650 HB2 ALA 78 HB2 ALA 78 -1.467 11.435 -13.602 651 HB3 ALA 78 HB3 ALA 78 -2.714 10.787 -12.536 652 H LEU 79 HN LEU 79 1.038 10.168 -13.822 653 HA LEU 79 HA LEU 79 1.285 9.279 -16.529 654 HB2 LEU 79 HB2 LEU 79 3.415 10.097 -14.510 655 HB3 LEU 79 HB1 LEU 79 3.736 9.786 -16.212 656 HG LEU 79 HG LEU 79 1.932 12.007 -15.154 657 HD11 LEU 79 HD11 LEU 79 4.272 12.469 -14.611 658 HD12 LEU 79 HD12 LEU 79 3.695 13.565 -15.864 659 HD13 LEU 79 HD13 LEU 79 4.739 12.208 -16.297 660 HD21 LEU 79 HD21 LEU 79 1.194 11.237 -17.363 661 HD22 LEU 79 HD22 LEU 79 2.826 11.434 -18.005 662 HD23 LEU 79 HD23 LEU 79 1.906 12.846 -17.478 663 HA PRO 80 HA PRO 80 1.853 4.910 -15.405 664 HB2 PRO 80 HB2 PRO 80 2.782 4.674 -18.257 665 HB3 PRO 80 HB1 PRO 80 1.533 3.759 -17.397 666 HG2 PRO 80 HG2 PRO 80 0.824 5.624 -19.158 667 HG3 PRO 80 HG1 PRO 80 -0.062 5.476 -17.623 668 HD2 PRO 80 HD2 PRO 80 2.097 7.462 -18.378 669 HD3 PRO 80 HD1 PRO 80 0.542 7.752 -17.562 670 H ASP 81 HN ASP 81 4.348 7.011 -16.548 671 HA ASP 81 HA ASP 81 6.562 5.198 -16.057 672 HB2 ASP 81 HB2 ASP 81 6.611 8.229 -16.429 673 HB3 ASP 81 HB1 ASP 81 8.008 7.157 -16.472 674 H ASN 82 HN ASN 82 4.867 7.789 -14.386 675 HA ASN 82 HA ASN 82 4.888 8.708 -12.328 676 HB2 ASN 82 HB2 ASN 82 6.397 6.186 -11.512 677 HB3 ASN 82 HB1 ASN 82 5.736 7.357 -10.378 678 HD21 ASN 82 HD21 ASN 82 3.241 7.789 -11.820 679 HD22 ASN 82 HD22 ASN 82 2.316 6.352 -11.619 680 H ASP 83 HN ASP 83 6.879 9.336 -14.227 681 HA ASP 83 HA ASP 83 9.493 9.574 -13.106 682 HB2 ASP 83 HB2 ASP 83 9.980 10.882 -15.150 683 HB3 ASP 83 HB1 ASP 83 9.108 9.406 -15.537 684 HA PRO 84 HA PRO 84 8.998 13.592 -11.043 685 HB2 PRO 84 HB2 PRO 84 11.519 14.447 -10.803 686 HB3 PRO 84 HB1 PRO 84 11.032 12.910 -10.067 687 HG2 PRO 84 HG2 PRO 84 12.489 13.378 -12.678 688 HG3 PRO 84 HG1 PRO 84 12.861 12.209 -11.392 689 HD2 PRO 84 HD2 PRO 84 11.428 11.596 -13.695 690 HD3 PRO 84 HD1 PRO 84 11.307 10.682 -12.176 691 H LEU 85 HN LEU 85 9.358 13.452 -14.273 692 HA LEU 85 HA LEU 85 9.289 14.845 -16.044 693 HB2 LEU 85 HB2 LEU 85 8.236 16.738 -13.921 694 HB3 LEU 85 HB1 LEU 85 8.321 17.170 -15.622 695 HG LEU 85 HG LEU 85 6.868 15.148 -16.105 696 HD11 LEU 85 HD11 LEU 85 6.527 15.138 -13.114 697 HD12 LEU 85 HD12 LEU 85 7.086 13.822 -14.143 698 HD13 LEU 85 HD13 LEU 85 5.406 14.350 -14.227 699 HD21 LEU 85 HD21 LEU 85 5.694 17.382 -14.448 700 HD22 LEU 85 HD22 LEU 85 4.798 16.318 -15.535 701 HD23 LEU 85 HD23 LEU 85 6.018 17.410 -16.184 702 H LYS 86 HN LYS 86 11.811 14.513 -15.017 703 HA LYS 86 HA LYS 86 13.067 17.071 -14.526 704 HB2 LYS 86 HB2 LYS 86 13.720 14.883 -13.373 705 HB3 LYS 86 HB1 LYS 86 14.474 14.395 -14.888 706 HG2 LYS 86 HG2 LYS 86 16.134 15.334 -13.337 707 HG3 LYS 86 HG1 LYS 86 15.989 16.335 -14.791 708 HD2 LYS 86 HD2 LYS 86 14.470 17.882 -13.525 709 HD3 LYS 86 HD1 LYS 86 14.711 16.900 -12.079 710 HE2 LYS 86 HE2 LYS 86 17.125 17.454 -12.128 711 HE3 LYS 86 HE1 LYS 86 16.858 18.448 -13.566 712 HZ1 LYS 86 HZ1 LYS 86 16.908 19.797 -11.587 713 HZ2 LYS 86 HZ2 LYS 86 15.666 18.890 -10.885 714 HZ3 LYS 86 HZ3 LYS 86 15.352 19.832 -12.256 Start of MODEL 15 1 H MET 1 HT1 MET 1 3.635 -2.132 -5.172 2 HA MET 1 HA MET 1 3.321 -0.925 -7.171 3 HB2 MET 1 HB2 MET 1 0.833 -0.831 -7.063 4 HB3 MET 1 HB1 MET 1 0.930 0.324 -5.742 5 HG2 MET 1 HG2 MET 1 2.046 1.933 -7.294 6 HG3 MET 1 HG1 MET 1 1.815 0.774 -8.606 7 HE1 MET 1 HE1 MET 1 -1.144 -0.397 -7.804 8 HE2 MET 1 HE2 MET 1 -0.676 0.001 -9.458 9 HE3 MET 1 HE3 MET 1 -2.163 0.662 -8.777 10 H SER 2 HN SER 2 2.270 0.830 -4.224 11 HA SER 2 HA SER 2 3.146 2.413 -2.906 12 HB2 SER 2 HB2 SER 2 5.848 1.471 -3.936 13 HB3 SER 2 HB1 SER 2 5.588 2.501 -2.528 14 HG SER 2 HG SER 2 4.161 0.644 -1.822 15 H LYS 3 HN LYS 3 4.495 4.498 -2.894 16 HA LYS 3 HA LYS 3 4.466 5.838 -5.550 17 HB2 LYS 3 HB2 LYS 3 3.602 7.029 -2.872 18 HB3 LYS 3 HB1 LYS 3 3.632 7.880 -4.417 19 HG2 LYS 3 HG2 LYS 3 1.912 6.328 -5.299 20 HG3 LYS 3 HG1 LYS 3 1.868 5.501 -3.734 21 HD2 LYS 3 HD2 LYS 3 1.178 7.701 -2.688 22 HD3 LYS 3 HD1 LYS 3 1.062 8.379 -4.318 23 HE2 LYS 3 HE2 LYS 3 -0.527 5.998 -3.300 24 HE3 LYS 3 HE1 LYS 3 -1.136 7.647 -3.421 25 HZ1 LYS 3 HZ1 LYS 3 -1.792 6.210 -5.282 26 HZ2 LYS 3 HZ2 LYS 3 -0.171 6.053 -5.734 27 HZ3 LYS 3 HZ3 LYS 3 -0.924 7.569 -5.788 28 H THR 4 HN THR 4 6.678 4.552 -4.290 29 HA THR 4 HA THR 4 8.294 6.214 -2.674 30 HB THR 4 HB THR 4 9.207 3.857 -4.384 31 HG1 THR 4 HG1 THR 4 8.025 3.895 -1.784 32 HG21 THR 4 HG21 THR 4 10.885 3.510 -2.599 33 HG22 THR 4 HG22 THR 4 10.297 4.937 -1.745 34 HG23 THR 4 HG23 THR 4 11.078 5.107 -3.321 35 H ALA 5 HN ALA 5 7.823 6.201 -6.098 36 HA ALA 5 HA ALA 5 10.255 7.058 -7.164 37 HB1 ALA 5 HB1 ALA 5 8.911 7.974 -9.035 38 HB2 ALA 5 HB2 ALA 5 7.449 7.819 -8.055 39 HB3 ALA 5 HB3 ALA 5 8.335 6.378 -8.546 40 H LYS 6 HN LYS 6 11.196 9.085 -7.481 41 HA LYS 6 HA LYS 6 10.834 10.966 -5.369 42 HB2 LYS 6 HB2 LYS 6 12.757 12.177 -6.254 43 HB3 LYS 6 HB1 LYS 6 13.091 10.454 -6.264 44 HG2 LYS 6 HG2 LYS 6 12.195 11.921 -8.766 45 HG3 LYS 6 HG1 LYS 6 13.891 11.859 -8.285 46 HD2 LYS 6 HD2 LYS 6 12.130 9.446 -8.906 47 HD3 LYS 6 HD1 LYS 6 13.334 10.141 -9.992 48 HE2 LYS 6 HE2 LYS 6 15.124 9.566 -8.385 49 HE3 LYS 6 HE1 LYS 6 13.927 8.909 -7.269 50 HZ1 LYS 6 HZ1 LYS 6 13.423 7.188 -8.806 51 HZ2 LYS 6 HZ2 LYS 6 15.097 7.232 -8.593 52 HZ3 LYS 6 HZ3 LYS 6 14.410 7.867 -9.998 53 H LEU 7 HN LEU 7 10.273 13.093 -5.415 54 HA LEU 7 HA LEU 7 9.159 14.376 -7.806 55 HB2 LEU 7 HB2 LEU 7 7.312 13.170 -6.517 56 HB3 LEU 7 HB1 LEU 7 7.645 14.204 -5.144 57 HG LEU 7 HG LEU 7 6.712 15.306 -7.842 58 HD11 LEU 7 HD11 LEU 7 4.960 14.562 -5.469 59 HD12 LEU 7 HD12 LEU 7 5.014 13.722 -7.022 60 HD13 LEU 7 HD13 LEU 7 4.431 15.382 -6.944 61 HD21 LEU 7 HD21 LEU 7 7.721 17.002 -6.359 62 HD22 LEU 7 HD22 LEU 7 6.611 16.547 -5.063 63 HD23 LEU 7 HD23 LEU 7 5.990 17.275 -6.548 64 H ASN 8 HN ASN 8 10.376 16.177 -7.917 65 HA ASN 8 HA ASN 8 11.383 17.474 -5.440 66 HB2 ASN 8 HB2 ASN 8 12.796 17.217 -8.144 67 HB3 ASN 8 HB1 ASN 8 13.407 18.127 -6.761 68 HD21 ASN 8 HD21 ASN 8 12.714 14.907 -7.992 69 HD22 ASN 8 HD22 ASN 8 13.710 14.061 -6.860 70 H ASN 9 HN ASN 9 11.351 18.399 -8.902 71 HA ASN 9 HA ASN 9 10.569 21.110 -8.238 72 HB2 ASN 9 HB2 ASN 9 12.280 20.571 -10.015 73 HB3 ASN 9 HB1 ASN 9 10.990 19.876 -10.994 74 HD21 ASN 9 HD21 ASN 9 11.772 21.483 -12.554 75 HD22 ASN 9 HD22 ASN 9 11.155 23.095 -12.479 76 H GLU 10 HN GLU 10 8.569 20.790 -7.361 77 HA GLU 10 HA GLU 10 6.398 19.313 -8.175 78 HB2 GLU 10 HB2 GLU 10 6.525 20.375 -5.983 79 HB3 GLU 10 HB1 GLU 10 6.512 21.979 -6.710 80 HG2 GLU 10 HG2 GLU 10 4.197 21.628 -7.471 81 HG3 GLU 10 HG1 GLU 10 4.203 20.008 -6.777 82 H GLU 11 HN GLU 11 7.335 22.563 -9.174 83 HA GLU 11 HA GLU 11 5.110 23.589 -10.389 84 HB2 GLU 11 HB2 GLU 11 8.065 23.934 -10.925 85 HB3 GLU 11 HB1 GLU 11 6.909 24.731 -11.987 86 HG2 GLU 11 HG2 GLU 11 7.007 25.110 -8.977 87 HG3 GLU 11 HG1 GLU 11 7.763 26.178 -10.162 88 H LYS 12 HN LYS 12 7.479 21.384 -11.918 89 HA LYS 12 HA LYS 12 6.401 21.562 -14.555 90 HB2 LYS 12 HB2 LYS 12 8.031 19.286 -13.358 91 HB3 LYS 12 HB1 LYS 12 7.779 19.596 -15.081 92 HG2 LYS 12 HG2 LYS 12 8.937 21.828 -14.743 93 HG3 LYS 12 HG1 LYS 12 9.315 21.304 -13.102 94 HD2 LYS 12 HD2 LYS 12 11.249 20.891 -14.468 95 HD3 LYS 12 HD1 LYS 12 10.530 19.330 -14.068 96 HE2 LYS 12 HE2 LYS 12 9.473 19.252 -16.315 97 HE3 LYS 12 HE1 LYS 12 10.205 20.810 -16.712 98 HZ1 LYS 12 HZ1 LYS 12 12.384 19.800 -16.429 99 HZ2 LYS 12 HZ2 LYS 12 11.484 18.993 -17.607 100 HZ3 LYS 12 HZ3 LYS 12 11.674 18.307 -16.074 101 H LEU 13 HN LEU 13 5.824 19.386 -11.849 102 HA LEU 13 HA LEU 13 4.071 17.580 -13.201 103 HB2 LEU 13 HB2 LEU 13 4.402 18.128 -10.229 104 HB3 LEU 13 HB1 LEU 13 3.390 16.858 -10.900 105 HG LEU 13 HG LEU 13 5.671 16.132 -12.095 106 HD11 LEU 13 HD11 LEU 13 7.032 17.985 -11.289 107 HD12 LEU 13 HD12 LEU 13 7.650 16.434 -10.726 108 HD13 LEU 13 HD13 LEU 13 6.753 17.479 -9.618 109 HD21 LEU 13 HD21 LEU 13 4.362 14.693 -10.642 110 HD22 LEU 13 HD22 LEU 13 5.060 15.460 -9.215 111 HD23 LEU 13 HD23 LEU 13 6.083 14.522 -10.307 112 H VAL 14 HN VAL 14 3.570 20.521 -11.291 113 HA VAL 14 HA VAL 14 0.753 20.520 -11.178 114 HB VAL 14 HB VAL 14 2.678 22.896 -11.246 115 HG11 VAL 14 HG11 VAL 14 0.407 23.668 -11.822 116 HG12 VAL 14 HG12 VAL 14 0.851 24.227 -10.209 117 HG13 VAL 14 HG13 VAL 14 -0.252 22.862 -10.395 118 HG21 VAL 14 HG21 VAL 14 2.446 22.881 -8.781 119 HG22 VAL 14 HG22 VAL 14 3.100 21.358 -9.378 120 HG23 VAL 14 HG23 VAL 14 1.410 21.454 -8.886 121 H LYS 15 HN LYS 15 3.025 21.910 -13.537 122 HA LYS 15 HA LYS 15 1.132 23.088 -15.281 123 HB2 LYS 15 HB2 LYS 15 3.974 22.167 -15.897 124 HB3 LYS 15 HB1 LYS 15 3.009 23.253 -16.905 125 HG2 LYS 15 HG2 LYS 15 2.984 24.932 -15.129 126 HG3 LYS 15 HG1 LYS 15 3.848 23.838 -14.051 127 HD2 LYS 15 HD2 LYS 15 5.717 23.868 -15.898 128 HD3 LYS 15 HD1 LYS 15 4.880 25.311 -16.484 129 HE2 LYS 15 HE2 LYS 15 6.185 24.892 -13.777 130 HE3 LYS 15 HE1 LYS 15 6.648 26.041 -15.033 131 HZ1 LYS 15 HZ1 LYS 15 5.475 27.120 -13.225 132 HZ2 LYS 15 HZ2 LYS 15 4.131 26.123 -13.452 133 HZ3 LYS 15 HZ3 LYS 15 4.576 27.222 -14.652 134 H LYS 16 HN LYS 16 2.590 19.877 -15.137 135 HA LYS 16 HA LYS 16 1.553 18.862 -17.603 136 HB2 LYS 16 HB2 LYS 16 3.478 17.846 -16.354 137 HB3 LYS 16 HB1 LYS 16 2.366 17.323 -15.103 138 HG2 LYS 16 HG2 LYS 16 2.838 15.424 -16.479 139 HG3 LYS 16 HG1 LYS 16 1.178 15.916 -16.825 140 HD2 LYS 16 HD2 LYS 16 1.949 17.048 -18.892 141 HD3 LYS 16 HD1 LYS 16 3.608 16.565 -18.535 142 HE2 LYS 16 HE2 LYS 16 2.831 14.152 -18.635 143 HE3 LYS 16 HE1 LYS 16 1.270 14.745 -19.214 144 HZ1 LYS 16 HZ1 LYS 16 2.482 15.807 -21.066 145 HZ2 LYS 16 HZ2 LYS 16 2.620 14.120 -21.060 146 HZ3 LYS 16 HZ3 LYS 16 3.910 15.071 -20.532 147 H ALA 17 HN ALA 17 0.373 19.008 -14.285 148 HA ALA 17 HA ALA 17 -1.978 17.408 -14.681 149 HB1 ALA 17 HB1 ALA 17 -2.665 18.247 -12.472 150 HB2 ALA 17 HB2 ALA 17 -1.348 19.423 -12.499 151 HB3 ALA 17 HB3 ALA 17 -0.987 17.698 -12.449 152 H LEU 18 HN LEU 18 -1.137 20.809 -15.082 153 HA LEU 18 HA LEU 18 -3.775 21.804 -15.525 154 HB2 LEU 18 HB2 LEU 18 -1.178 22.912 -16.668 155 HB3 LEU 18 HB1 LEU 18 -2.723 23.749 -16.584 156 HG LEU 18 HG LEU 18 -0.925 23.008 -14.257 157 HD11 LEU 18 HD11 LEU 18 -0.711 25.411 -13.895 158 HD12 LEU 18 HD12 LEU 18 -1.722 25.731 -15.309 159 HD13 LEU 18 HD13 LEU 18 -0.150 24.950 -15.501 160 HD21 LEU 18 HD21 LEU 18 -2.542 24.112 -12.780 161 HD22 LEU 18 HD22 LEU 18 -3.225 22.684 -13.546 162 HD23 LEU 18 HD23 LEU 18 -3.667 24.290 -14.131 163 H GLU 19 HN GLU 19 -1.243 20.450 -17.598 164 HA GLU 19 HA GLU 19 -2.506 20.773 -20.096 165 HB2 GLU 19 HB2 GLU 19 -0.437 18.720 -19.191 166 HB3 GLU 19 HB1 GLU 19 -0.939 18.927 -20.866 167 HG2 GLU 19 HG2 GLU 19 0.502 20.970 -19.144 168 HG3 GLU 19 HG1 GLU 19 1.193 20.031 -20.466 169 H ILE 20 HN ILE 20 -2.262 17.825 -18.090 170 HA ILE 20 HA ILE 20 -4.002 16.271 -19.707 171 HB ILE 20 HB ILE 20 -3.098 15.710 -16.845 172 HG12 ILE 20 HG12 ILE 20 -1.115 15.974 -18.256 173 HG13 ILE 20 HG11 ILE 20 -1.321 14.264 -17.899 174 HG21 ILE 20 HG21 ILE 20 -3.562 13.323 -17.372 175 HG22 ILE 20 HG22 ILE 20 -4.209 13.805 -18.942 176 HG23 ILE 20 HG23 ILE 20 -5.018 14.318 -17.460 177 HD11 ILE 20 HD11 ILE 20 -0.646 14.606 -20.196 178 HD12 ILE 20 HD12 ILE 20 -2.038 15.645 -20.498 179 HD13 ILE 20 HD13 ILE 20 -2.272 13.928 -20.148 180 H GLY 21 HN GLY 21 -4.429 17.757 -16.479 181 HA2 GLY 21 HA2 GLY 21 -7.115 17.001 -16.064 182 HA3 GLY 21 HA1 GLY 21 -6.290 18.331 -15.265 183 H GLY 22 HN GLY 22 -5.681 19.838 -17.641 184 HA2 GLY 22 HA2 GLY 22 -8.042 21.368 -17.980 185 HA3 GLY 22 HA1 GLY 22 -6.558 21.536 -18.901 186 H LYS 23 HN LYS 23 -6.312 19.198 -20.251 187 HA LYS 23 HA LYS 23 -8.209 19.557 -22.362 188 HB2 LYS 23 HB2 LYS 23 -6.962 17.845 -23.604 189 HB3 LYS 23 HB1 LYS 23 -5.885 19.030 -22.898 190 HG2 LYS 23 HG2 LYS 23 -4.661 17.180 -22.366 191 HG3 LYS 23 HG1 LYS 23 -5.720 17.178 -20.959 192 HD2 LYS 23 HD2 LYS 23 -7.185 15.517 -22.079 193 HD3 LYS 23 HD1 LYS 23 -6.098 15.509 -23.472 194 HE2 LYS 23 HE2 LYS 23 -4.255 14.735 -21.923 195 HE3 LYS 23 HE1 LYS 23 -5.469 14.592 -20.646 196 HZ1 LYS 23 HZ1 LYS 23 -6.645 12.994 -22.022 197 HZ2 LYS 23 HZ2 LYS 23 -5.065 12.488 -21.711 198 HZ3 LYS 23 HZ3 LYS 23 -5.464 13.125 -23.224 199 H MET 24 HN MET 24 -7.849 17.155 -19.797 200 HA MET 24 HA MET 24 -9.778 15.293 -20.730 201 HB2 MET 24 HB2 MET 24 -8.747 15.861 -17.941 202 HB3 MET 24 HB1 MET 24 -10.013 14.672 -18.219 203 HG2 MET 24 HG2 MET 24 -8.391 13.525 -19.818 204 HG3 MET 24 HG1 MET 24 -7.150 14.592 -19.158 205 HE1 MET 24 HE1 MET 24 -6.925 14.779 -16.332 206 HE2 MET 24 HE2 MET 24 -7.553 13.516 -15.270 207 HE3 MET 24 HE3 MET 24 -8.665 14.632 -16.061 208 H ALA 25 HN ALA 25 -10.035 18.009 -18.402 209 HA ALA 25 HA ALA 25 -12.747 17.876 -17.793 210 HB1 ALA 25 HB1 ALA 25 -11.033 20.371 -18.031 211 HB2 ALA 25 HB2 ALA 25 -11.177 19.343 -16.604 212 HB3 ALA 25 HB3 ALA 25 -12.574 20.256 -17.175 213 H LYS 26 HN LYS 26 -11.106 19.619 -20.353 214 HA LYS 26 HA LYS 26 -13.179 20.915 -21.619 215 HB2 LYS 26 HB2 LYS 26 -10.759 21.205 -22.073 216 HB3 LYS 26 HB1 LYS 26 -10.720 19.645 -22.885 217 HG2 LYS 26 HG2 LYS 26 -12.151 20.471 -24.670 218 HG3 LYS 26 HG1 LYS 26 -12.399 22.005 -23.824 219 HD2 LYS 26 HD2 LYS 26 -9.748 20.979 -24.945 220 HD3 LYS 26 HD1 LYS 26 -10.747 22.259 -25.643 221 HE2 LYS 26 HE2 LYS 26 -10.396 23.615 -23.572 222 HE3 LYS 26 HE1 LYS 26 -9.338 22.348 -22.946 223 HZ1 LYS 26 HZ1 LYS 26 -8.051 24.093 -23.917 224 HZ2 LYS 26 HZ2 LYS 26 -8.894 23.984 -25.371 225 HZ3 LYS 26 HZ3 LYS 26 -7.896 22.710 -24.877 226 H MET 27 HN MET 27 -11.856 17.697 -22.394 227 HA MET 27 HA MET 27 -13.758 16.914 -24.338 228 HB2 MET 27 HB2 MET 27 -11.934 15.263 -22.570 229 HB3 MET 27 HB1 MET 27 -12.889 14.576 -23.885 230 HG2 MET 27 HG2 MET 27 -11.683 16.064 -25.485 231 HG3 MET 27 HG1 MET 27 -10.660 16.611 -24.151 232 HE1 MET 27 HE1 MET 27 -8.742 13.288 -23.228 233 HE2 MET 27 HE2 MET 27 -10.255 13.829 -22.505 234 HE3 MET 27 HE3 MET 27 -8.968 14.993 -22.834 235 H GLN 28 HN GLN 28 -13.760 16.582 -20.825 236 HA GLN 28 HA GLN 28 -15.905 14.747 -20.540 237 HB2 GLN 28 HB2 GLN 28 -14.803 16.861 -18.644 238 HB3 GLN 28 HB1 GLN 28 -16.087 15.744 -18.180 239 HG2 GLN 28 HG2 GLN 28 -13.275 14.950 -19.007 240 HG3 GLN 28 HG1 GLN 28 -13.856 15.065 -17.346 241 HE21 GLN 28 HE21 GLN 28 -13.949 13.209 -20.296 242 HE22 GLN 28 HE22 GLN 28 -14.709 11.808 -19.629 243 H GLY 29 HN GLY 29 -15.697 18.200 -21.028 244 HA2 GLY 29 HA2 GLY 29 -17.600 19.053 -22.424 245 HA3 GLY 29 HA1 GLY 29 -18.671 18.428 -21.167 246 H PHE 30 HN PHE 30 -15.560 20.183 -20.998 247 HA PHE 30 HA PHE 30 -16.884 22.413 -19.542 248 HB2 PHE 30 HB2 PHE 30 -14.425 20.900 -18.530 249 HB3 PHE 30 HB1 PHE 30 -15.052 22.379 -17.821 250 HD1 PHE 30 HD2 PHE 30 -17.378 22.342 -16.756 251 HD2 PHE 30 HD1 PHE 30 -15.303 18.767 -17.859 252 HE1 PHE 30 HE2 PHE 30 -18.833 21.027 -15.268 253 HE2 PHE 30 HE1 PHE 30 -16.763 17.463 -16.370 254 HZ PHE 30 HZ PHE 30 -18.526 18.592 -15.075 255 H ASP 31 HN ASP 31 -15.066 24.100 -18.993 256 HA ASP 31 HA ASP 31 -12.780 24.191 -20.760 257 HB2 ASP 31 HB2 ASP 31 -14.455 25.267 -22.214 258 HB3 ASP 31 HB1 ASP 31 -14.960 26.335 -20.901 259 H LEU 32 HN LEU 32 -11.419 24.248 -19.047 260 HA LEU 32 HA LEU 32 -11.825 25.843 -16.691 261 HB2 LEU 32 HB2 LEU 32 -9.304 24.443 -17.693 262 HB3 LEU 32 HB1 LEU 32 -9.523 25.115 -16.082 263 HG LEU 32 HG LEU 32 -10.994 22.718 -17.264 264 HD11 LEU 32 HD11 LEU 32 -9.875 21.413 -15.530 265 HD12 LEU 32 HD12 LEU 32 -9.046 22.857 -14.942 266 HD13 LEU 32 HD13 LEU 32 -8.695 22.229 -16.553 267 HD21 LEU 32 HD21 LEU 32 -11.409 23.990 -14.530 268 HD22 LEU 32 HD22 LEU 32 -12.118 22.469 -15.079 269 HD23 LEU 32 HD23 LEU 32 -12.565 23.978 -15.866 270 HA PRO 33 HA PRO 33 -10.485 29.797 -18.219 271 HB2 PRO 33 HB2 PRO 33 -9.192 30.857 -15.985 272 HB3 PRO 33 HB1 PRO 33 -10.949 30.769 -16.170 273 HG2 PRO 33 HG2 PRO 33 -9.097 28.863 -14.734 274 HG3 PRO 33 HG1 PRO 33 -10.637 29.555 -14.174 275 HD2 PRO 33 HD2 PRO 33 -10.569 27.069 -15.145 276 HD3 PRO 33 HD1 PRO 33 -11.923 28.142 -15.567 277 H GLN 34 HN GLN 34 -8.876 30.344 -19.543 278 HA GLN 34 HA GLN 34 -6.203 29.234 -19.420 279 HB2 GLN 34 HB2 GLN 34 -7.423 29.688 -21.573 280 HB3 GLN 34 HB1 GLN 34 -7.348 31.415 -21.241 281 HG2 GLN 34 HG2 GLN 34 -4.841 31.257 -21.307 282 HG3 GLN 34 HG1 GLN 34 -4.994 29.562 -21.764 283 HE21 GLN 34 HE21 GLN 34 -7.090 32.162 -22.950 284 HE22 GLN 34 HE22 GLN 34 -6.539 32.092 -24.584 285 H SER 35 HN SER 35 -7.787 31.847 -18.006 286 HA SER 35 HA SER 35 -6.239 33.995 -17.588 287 HB2 SER 35 HB2 SER 35 -7.657 32.387 -15.411 288 HB3 SER 35 HB1 SER 35 -7.324 34.117 -15.370 289 HG SER 35 HG SER 35 -9.468 33.679 -16.011 290 HA PRO 36 HA PRO 36 -2.201 34.049 -16.396 291 HB2 PRO 36 HB2 PRO 36 -2.490 33.879 -13.432 292 HB3 PRO 36 HB1 PRO 36 -1.623 35.056 -14.421 293 HG2 PRO 36 HG2 PRO 36 -4.292 35.271 -13.338 294 HG3 PRO 36 HG1 PRO 36 -3.432 36.456 -14.333 295 HD2 PRO 36 HD2 PRO 36 -5.691 35.074 -15.154 296 HD3 PRO 36 HD1 PRO 36 -4.493 35.768 -16.275 297 H GLN 37 HN GLN 37 -2.569 32.186 -13.433 298 HA GLN 37 HA GLN 37 -1.917 29.637 -14.574 299 HB2 GLN 37 HB2 GLN 37 0.295 31.192 -13.177 300 HB3 GLN 37 HB1 GLN 37 0.266 29.439 -13.093 301 HG2 GLN 37 HG2 GLN 37 0.375 31.017 -15.679 302 HG3 GLN 37 HG1 GLN 37 1.788 30.379 -14.844 303 HE21 GLN 37 HE21 GLN 37 2.332 29.166 -16.680 304 HE22 GLN 37 HE22 GLN 37 1.494 27.723 -17.120 305 HA PRO 38 HA PRO 38 -2.146 29.181 -9.636 306 HB2 PRO 38 HB2 PRO 38 -3.466 31.778 -8.875 307 HB3 PRO 38 HB1 PRO 38 -2.222 30.852 -8.024 308 HG2 PRO 38 HG2 PRO 38 -1.593 33.111 -9.319 309 HG3 PRO 38 HG1 PRO 38 -0.486 31.722 -9.337 310 HD2 PRO 38 HD2 PRO 38 -2.371 32.675 -11.493 311 HD3 PRO 38 HD1 PRO 38 -0.719 32.039 -11.634 312 H VAL 39 HN VAL 39 -4.510 31.108 -11.311 313 HA VAL 39 HA VAL 39 -6.891 30.061 -10.157 314 HB VAL 39 HB VAL 39 -7.988 31.216 -12.154 315 HG11 VAL 39 HG11 VAL 39 -7.421 33.507 -11.389 316 HG12 VAL 39 HG12 VAL 39 -6.016 32.876 -10.527 317 HG13 VAL 39 HG13 VAL 39 -7.642 32.412 -10.022 318 HG21 VAL 39 HG21 VAL 39 -5.107 31.948 -12.827 319 HG22 VAL 39 HG22 VAL 39 -6.542 32.651 -13.575 320 HG23 VAL 39 HG23 VAL 39 -6.185 30.940 -13.802 321 H ARG 40 HN ARG 40 -4.943 29.158 -12.991 322 HA ARG 40 HA ARG 40 -6.741 27.210 -14.089 323 HB2 ARG 40 HB2 ARG 40 -3.690 27.247 -14.330 324 HB3 ARG 40 HB1 ARG 40 -4.819 26.403 -15.393 325 HG2 ARG 40 HG2 ARG 40 -5.689 28.534 -16.201 326 HG3 ARG 40 HG1 ARG 40 -4.658 29.412 -15.074 327 HD2 ARG 40 HD2 ARG 40 -3.611 29.557 -17.201 328 HD3 ARG 40 HD1 ARG 40 -2.663 28.399 -16.268 329 HE ARG 40 HE ARG 40 -4.052 26.652 -17.521 330 HH11 ARG 40 HH11 ARG 40 -3.196 29.756 -18.934 331 HH12 ARG 40 HH12 ARG 40 -3.164 29.136 -20.554 332 HH21 ARG 40 HH21 ARG 40 -4.012 25.871 -19.649 333 HH22 ARG 40 HH22 ARG 40 -3.639 26.943 -20.964 334 H VAL 41 HN VAL 41 -4.055 27.137 -11.809 335 HA VAL 41 HA VAL 41 -3.767 24.405 -11.339 336 HB VAL 41 HB VAL 41 -3.281 26.756 -9.436 337 HG11 VAL 41 HG11 VAL 41 -2.131 23.948 -9.263 338 HG12 VAL 41 HG12 VAL 41 -3.351 24.623 -8.192 339 HG13 VAL 41 HG13 VAL 41 -1.727 25.301 -8.203 340 HG21 VAL 41 HG21 VAL 41 -2.034 26.952 -11.552 341 HG22 VAL 41 HG22 VAL 41 -1.366 25.338 -11.333 342 HG23 VAL 41 HG23 VAL 41 -0.924 26.634 -10.218 343 H LYS 42 HN LYS 42 -5.782 26.777 -9.634 344 HA LYS 42 HA LYS 42 -6.949 24.939 -7.780 345 HB2 LYS 42 HB2 LYS 42 -6.638 27.551 -7.649 346 HB3 LYS 42 HB1 LYS 42 -8.164 27.628 -8.513 347 HG2 LYS 42 HG2 LYS 42 -7.819 26.173 -5.869 348 HG3 LYS 42 HG1 LYS 42 -8.262 27.875 -5.972 349 HD2 LYS 42 HD2 LYS 42 -9.871 25.512 -7.025 350 HD3 LYS 42 HD1 LYS 42 -10.252 26.491 -5.603 351 HE2 LYS 42 HE2 LYS 42 -10.215 27.481 -8.487 352 HE3 LYS 42 HE1 LYS 42 -11.654 27.115 -7.538 353 HZ1 LYS 42 HZ1 LYS 42 -11.052 28.876 -6.015 354 HZ2 LYS 42 HZ2 LYS 42 -11.219 29.465 -7.588 355 HZ3 LYS 42 HZ3 LYS 42 -9.677 29.233 -6.929 356 H ALA 43 HN ALA 43 -7.950 26.252 -10.931 357 HA ALA 43 HA ALA 43 -10.575 25.254 -11.108 358 HB1 ALA 43 HB1 ALA 43 -9.627 26.874 -12.707 359 HB2 ALA 43 HB2 ALA 43 -10.325 25.489 -13.549 360 HB3 ALA 43 HB3 ALA 43 -8.572 25.624 -13.367 361 H VAL 44 HN VAL 44 -7.531 23.760 -12.169 362 HA VAL 44 HA VAL 44 -8.543 21.332 -13.158 363 HB VAL 44 HB VAL 44 -5.759 22.012 -12.094 364 HG11 VAL 44 HG11 VAL 44 -6.077 19.560 -11.987 365 HG12 VAL 44 HG12 VAL 44 -4.942 19.987 -13.268 366 HG13 VAL 44 HG13 VAL 44 -6.602 19.544 -13.673 367 HG21 VAL 44 HG21 VAL 44 -5.153 22.199 -14.478 368 HG22 VAL 44 HG22 VAL 44 -6.472 23.300 -14.093 369 HG23 VAL 44 HG23 VAL 44 -6.805 21.792 -14.949 370 H TYR 45 HN TYR 45 -7.296 22.245 -9.948 371 HA TYR 45 HA TYR 45 -7.516 19.860 -8.555 372 HB2 TYR 45 HB2 TYR 45 -6.515 21.656 -7.408 373 HB3 TYR 45 HB1 TYR 45 -7.841 22.758 -7.750 374 HD1 TYR 45 HD2 TYR 45 -6.841 19.838 -5.617 375 HD2 TYR 45 HD1 TYR 45 -9.661 23.006 -6.210 376 HE1 TYR 45 HE2 TYR 45 -7.808 19.416 -3.388 377 HE2 TYR 45 HE1 TYR 45 -10.617 22.580 -3.997 378 HH TYR 45 HH TYR 45 -10.786 20.823 -2.397 379 H LEU 46 HN LEU 46 -10.099 22.347 -8.937 380 HA LEU 46 HA LEU 46 -12.144 21.069 -7.503 381 HB2 LEU 46 HB2 LEU 46 -12.370 22.951 -9.884 382 HB3 LEU 46 HB1 LEU 46 -13.745 22.451 -8.905 383 HG LEU 46 HG LEU 46 -11.375 24.113 -7.955 384 HD11 LEU 46 HD11 LEU 46 -14.285 24.867 -8.374 385 HD12 LEU 46 HD12 LEU 46 -12.915 25.371 -9.367 386 HD13 LEU 46 HD13 LEU 46 -13.029 25.910 -7.694 387 HD21 LEU 46 HD21 LEU 46 -13.787 23.153 -6.371 388 HD22 LEU 46 HD22 LEU 46 -12.586 24.319 -5.810 389 HD23 LEU 46 HD23 LEU 46 -12.107 22.657 -6.135 390 H PHE 47 HN PHE 47 -11.349 20.912 -10.957 391 HA PHE 47 HA PHE 47 -13.387 19.175 -11.810 392 HB2 PHE 47 HB2 PHE 47 -12.228 20.259 -13.561 393 HB3 PHE 47 HB1 PHE 47 -10.645 19.884 -12.889 394 HD1 PHE 47 HD1 PHE 47 -13.662 18.033 -14.241 395 HD2 PHE 47 HD2 PHE 47 -9.392 18.265 -14.015 396 HE1 PHE 47 HE1 PHE 47 -13.467 16.061 -15.699 397 HE2 PHE 47 HE2 PHE 47 -9.210 16.307 -15.477 398 HZ PHE 47 HZ PHE 47 -11.244 15.195 -16.323 399 H LEU 48 HN LEU 48 -10.089 18.410 -10.656 400 HA LEU 48 HA LEU 48 -10.216 15.626 -11.123 401 HB2 LEU 48 HB2 LEU 48 -8.410 17.217 -9.284 402 HB3 LEU 48 HB1 LEU 48 -8.193 15.507 -9.630 403 HG LEU 48 HG LEU 48 -7.933 17.796 -11.624 404 HD11 LEU 48 HD11 LEU 48 -6.064 17.637 -10.069 405 HD12 LEU 48 HD12 LEU 48 -5.569 17.181 -11.696 406 HD13 LEU 48 HD13 LEU 48 -5.839 15.933 -10.475 407 HD21 LEU 48 HD21 LEU 48 -7.218 16.124 -13.274 408 HD22 LEU 48 HD22 LEU 48 -8.878 15.837 -12.762 409 HD23 LEU 48 HD23 LEU 48 -7.577 14.821 -12.137 410 H VAL 49 HN VAL 49 -10.928 17.560 -8.215 411 HA VAL 49 HA VAL 49 -11.303 15.364 -6.429 412 HB VAL 49 HB VAL 49 -12.446 18.195 -6.215 413 HG11 VAL 49 HG11 VAL 49 -12.181 16.043 -4.072 414 HG12 VAL 49 HG12 VAL 49 -13.693 16.625 -4.775 415 HG13 VAL 49 HG13 VAL 49 -12.710 17.708 -3.789 416 HG21 VAL 49 HG21 VAL 49 -9.982 18.195 -6.284 417 HG22 VAL 49 HG22 VAL 49 -9.928 17.011 -4.978 418 HG23 VAL 49 HG23 VAL 49 -10.554 18.634 -4.672 419 H ASP 50 HN ASP 50 -13.462 17.274 -8.492 420 HA ASP 50 HA ASP 50 -15.947 16.082 -7.829 421 HB2 ASP 50 HB2 ASP 50 -15.556 18.245 -9.111 422 HB3 ASP 50 HB1 ASP 50 -15.108 17.288 -10.510 423 H ALA 51 HN ALA 51 -13.455 15.286 -10.196 424 HA ALA 51 HA ALA 51 -14.910 13.086 -11.421 425 HB1 ALA 51 HB1 ALA 51 -13.496 14.581 -12.799 426 HB2 ALA 51 HB2 ALA 51 -12.946 12.908 -12.894 427 HB3 ALA 51 HB3 ALA 51 -12.071 14.072 -11.892 428 H LYS 52 HN LYS 52 -13.271 13.425 -8.574 429 HA LYS 52 HA LYS 52 -12.566 12.045 -6.943 430 HB2 LYS 52 HB2 LYS 52 -13.572 9.732 -8.652 431 HB3 LYS 52 HB1 LYS 52 -13.311 9.715 -6.906 432 HG2 LYS 52 HG2 LYS 52 -15.401 11.337 -8.408 433 HG3 LYS 52 HG1 LYS 52 -15.701 9.881 -7.453 434 HD2 LYS 52 HD2 LYS 52 -15.211 11.028 -5.393 435 HD3 LYS 52 HD1 LYS 52 -14.527 12.415 -6.242 436 HE2 LYS 52 HE2 LYS 52 -16.788 12.880 -5.333 437 HE3 LYS 52 HE1 LYS 52 -16.724 13.049 -7.087 438 HZ1 LYS 52 HZ1 LYS 52 -17.756 10.907 -7.322 439 HZ2 LYS 52 HZ2 LYS 52 -18.708 11.875 -6.313 440 HZ3 LYS 52 HZ3 LYS 52 -17.741 10.658 -5.650 441 H GLN 53 HN GLN 53 -10.918 12.589 -9.431 442 HA GLN 53 HA GLN 53 -8.894 10.633 -9.663 443 HB2 GLN 53 HB2 GLN 53 -8.919 13.630 -10.212 444 HB3 GLN 53 HB1 GLN 53 -7.554 12.593 -10.603 445 HG2 GLN 53 HG2 GLN 53 -10.344 12.253 -11.741 446 HG3 GLN 53 HG1 GLN 53 -9.033 13.114 -12.546 447 HE21 GLN 53 HE21 GLN 53 -10.442 10.826 -13.558 448 HE22 GLN 53 HE22 GLN 53 -9.293 9.555 -13.760 449 H ILE 54 HN ILE 54 -9.394 13.389 -7.478 450 HA ILE 54 HA ILE 54 -7.320 12.343 -5.652 451 HB ILE 54 HB ILE 54 -6.661 14.716 -5.005 452 HG12 ILE 54 HG12 ILE 54 -8.080 15.457 -7.606 453 HG13 ILE 54 HG11 ILE 54 -8.602 15.910 -5.991 454 HG21 ILE 54 HG21 ILE 54 -5.954 13.897 -7.828 455 HG22 ILE 54 HG22 ILE 54 -5.167 13.338 -6.353 456 HG23 ILE 54 HG23 ILE 54 -5.047 15.033 -6.827 457 HD11 ILE 54 HD11 ILE 54 -7.551 17.764 -7.141 458 HD12 ILE 54 HD12 ILE 54 -6.073 16.826 -7.358 459 HD13 ILE 54 HD13 ILE 54 -6.595 17.290 -5.738 460 H ALA 55 HN ALA 55 -7.512 13.380 -3.482 461 HA ALA 55 HA ALA 55 -10.265 13.423 -2.532 462 HB1 ALA 55 HB1 ALA 55 -8.584 12.054 -1.343 463 HB2 ALA 55 HB2 ALA 55 -9.212 13.315 -0.281 464 HB3 ALA 55 HB3 ALA 55 -7.614 13.489 -1.017 465 HA PRO 56 HA PRO 56 -10.308 17.934 -2.093 466 HB2 PRO 56 HB2 PRO 56 -12.179 18.282 -0.136 467 HB3 PRO 56 HB1 PRO 56 -12.598 17.721 -1.763 468 HG2 PRO 56 HG2 PRO 56 -12.176 16.094 0.744 469 HG3 PRO 56 HG1 PRO 56 -13.497 15.990 -0.439 470 HD2 PRO 56 HD2 PRO 56 -11.375 14.284 -0.479 471 HD3 PRO 56 HD1 PRO 56 -12.203 14.787 -1.969 472 H LEU 57 HN LEU 57 -9.623 19.602 -0.777 473 HA LEU 57 HA LEU 57 -8.139 19.007 1.689 474 HB2 LEU 57 HB2 LEU 57 -8.155 21.454 -0.138 475 HB3 LEU 57 HB1 LEU 57 -7.180 21.305 1.319 476 HG LEU 57 HG LEU 57 -6.878 19.485 -1.117 477 HD11 LEU 57 HD11 LEU 57 -5.206 21.909 -0.370 478 HD12 LEU 57 HD12 LEU 57 -6.316 21.789 -1.737 479 HD13 LEU 57 HD13 LEU 57 -4.874 20.778 -1.687 480 HD21 LEU 57 HD21 LEU 57 -5.088 19.852 1.325 481 HD22 LEU 57 HD22 LEU 57 -4.737 18.832 -0.072 482 HD23 LEU 57 HD23 LEU 57 -6.099 18.444 0.974 483 HA PRO 58 HA PRO 58 -11.516 21.185 3.946 484 HB2 PRO 58 HB2 PRO 58 -10.073 21.781 6.248 485 HB3 PRO 58 HB1 PRO 58 -10.819 20.206 5.933 486 HG2 PRO 58 HG2 PRO 58 -7.959 21.067 5.500 487 HG3 PRO 58 HG1 PRO 58 -8.575 19.571 6.237 488 HD2 PRO 58 HD2 PRO 58 -7.708 19.602 3.689 489 HD3 PRO 58 HD1 PRO 58 -9.113 18.617 4.158 490 H ASP 59 HN ASP 59 -11.834 23.408 4.816 491 HA ASP 59 HA ASP 59 -10.853 25.403 3.088 492 HB2 ASP 59 HB2 ASP 59 -12.295 25.672 5.758 493 HB3 ASP 59 HB1 ASP 59 -12.032 27.004 4.631 494 H SER 60 HN SER 60 -9.628 24.252 6.143 495 HA SER 60 HA SER 60 -7.849 26.389 6.782 496 HB2 SER 60 HB2 SER 60 -7.581 23.431 7.500 497 HB3 SER 60 HB1 SER 60 -6.785 24.778 8.313 498 HG SER 60 HG SER 60 -9.219 25.456 8.498 499 H LYS 61 HN LYS 61 -7.529 23.391 4.877 500 HA LYS 61 HA LYS 61 -4.704 23.948 4.233 501 HB2 LYS 61 HB2 LYS 61 -6.357 21.443 3.692 502 HB3 LYS 61 HB1 LYS 61 -4.629 21.615 3.399 503 HG2 LYS 61 HG2 LYS 61 -5.951 21.727 6.138 504 HG3 LYS 61 HG1 LYS 61 -5.207 20.293 5.446 505 HD2 LYS 61 HD2 LYS 61 -3.506 21.054 6.847 506 HD3 LYS 61 HD1 LYS 61 -3.034 21.798 5.322 507 HE2 LYS 61 HE2 LYS 61 -4.016 23.940 6.058 508 HE3 LYS 61 HE1 LYS 61 -4.552 23.197 7.562 509 HZ1 LYS 61 HZ1 LYS 61 -2.273 22.829 8.163 510 HZ2 LYS 61 HZ2 LYS 61 -2.514 24.466 7.816 511 HZ3 LYS 61 HZ3 LYS 61 -1.732 23.468 6.696 512 H LEU 62 HN LEU 62 -7.459 25.004 2.953 513 HA LEU 62 HA LEU 62 -7.017 24.399 0.136 514 HB2 LEU 62 HB2 LEU 62 -9.299 25.034 1.530 515 HB3 LEU 62 HB1 LEU 62 -8.874 26.634 0.964 516 HG LEU 62 HG LEU 62 -10.517 25.567 -0.518 517 HD11 LEU 62 HD11 LEU 62 -9.434 25.885 -2.682 518 HD12 LEU 62 HD12 LEU 62 -7.846 25.859 -1.909 519 HD13 LEU 62 HD13 LEU 62 -8.987 27.156 -1.546 520 HD21 LEU 62 HD21 LEU 62 -10.012 23.570 -1.825 521 HD22 LEU 62 HD22 LEU 62 -9.899 23.220 -0.101 522 HD23 LEU 62 HD23 LEU 62 -8.427 23.433 -1.054 523 H ASP 63 HN ASP 63 -4.809 25.093 0.304 524 HA ASP 63 HA ASP 63 -4.329 28.005 -0.012 525 HB2 ASP 63 HB2 ASP 63 -3.247 27.208 2.020 526 HB3 ASP 63 HB1 ASP 63 -2.592 25.803 1.193 527 H GLY 64 HN GLY 64 -2.895 28.589 -1.722 528 HA2 GLY 64 HA2 GLY 64 -3.240 27.300 -4.150 529 HA3 GLY 64 HA1 GLY 64 -1.994 28.495 -3.820 530 H ALA 65 HN ALA 65 -0.424 27.045 -1.960 531 HA ALA 65 HA ALA 65 1.171 25.410 -3.708 532 HB1 ALA 65 HB1 ALA 65 2.639 25.105 -1.743 533 HB2 ALA 65 HB2 ALA 65 1.407 25.831 -0.704 534 HB3 ALA 65 HB3 ALA 65 2.194 26.798 -1.952 535 H ASN 66 HN ASN 66 -1.187 24.800 -1.163 536 HA ASN 66 HA ASN 66 -0.711 21.984 -0.868 537 HB2 ASN 66 HB2 ASN 66 -3.138 23.677 -0.132 538 HB3 ASN 66 HB1 ASN 66 -2.971 21.979 0.289 539 HD21 ASN 66 HD21 ASN 66 -0.322 24.379 0.469 540 HD22 ASN 66 HD22 ASN 66 -0.198 24.340 2.187 541 H ILE 67 HN ILE 67 -2.876 23.942 -2.850 542 HA ILE 67 HA ILE 67 -4.343 21.953 -4.189 543 HB ILE 67 HB ILE 67 -3.404 24.673 -5.246 544 HG12 ILE 67 HG12 ILE 67 -4.798 24.894 -3.189 545 HG13 ILE 67 HG11 ILE 67 -5.608 25.569 -4.592 546 HG21 ILE 67 HG21 ILE 67 -5.272 24.502 -6.871 547 HG22 ILE 67 HG22 ILE 67 -5.603 22.868 -6.296 548 HG23 ILE 67 HG23 ILE 67 -4.073 23.228 -7.093 549 HD11 ILE 67 HD11 ILE 67 -6.184 22.904 -3.309 550 HD12 ILE 67 HD12 ILE 67 -6.992 23.561 -4.739 551 HD13 ILE 67 HD13 ILE 67 -7.149 24.375 -3.180 552 H LYS 68 HN LYS 68 -1.265 23.565 -4.961 553 HA LYS 68 HA LYS 68 -0.608 22.276 -7.361 554 HB2 LYS 68 HB2 LYS 68 1.177 23.473 -5.209 555 HB3 LYS 68 HB1 LYS 68 1.793 22.899 -6.758 556 HG2 LYS 68 HG2 LYS 68 0.417 24.547 -7.940 557 HG3 LYS 68 HG1 LYS 68 -0.244 25.111 -6.399 558 HD2 LYS 68 HD2 LYS 68 2.053 25.774 -5.687 559 HD3 LYS 68 HD1 LYS 68 2.675 25.259 -7.261 560 HE2 LYS 68 HE2 LYS 68 1.285 26.956 -8.371 561 HE3 LYS 68 HE1 LYS 68 0.612 27.445 -6.815 562 HZ1 LYS 68 HZ1 LYS 68 2.841 28.094 -6.124 563 HZ2 LYS 68 HZ2 LYS 68 2.345 28.935 -7.507 564 HZ3 LYS 68 HZ3 LYS 68 3.450 27.663 -7.641 565 H HIS 69 HN HIS 69 -0.056 21.331 -4.005 566 HA HIS 69 HA HIS 69 1.698 19.148 -4.557 567 HB2 HIS 69 HB2 HIS 69 1.270 20.469 -2.288 568 HB3 HIS 69 HB1 HIS 69 0.023 19.255 -2.028 569 HD1 HIS 69 HD1 HIS 69 0.917 17.451 -0.544 570 HD2 HIS 69 HD2 HIS 69 3.853 18.933 -3.085 571 HE1 HIS 69 HE1 HIS 69 3.011 16.181 0.021 572 HE2 HIS 69 HE2 HIS 69 4.727 16.989 -1.628 573 H ARG 70 HN ARG 70 -1.811 19.449 -4.081 574 HA ARG 70 HA ARG 70 -2.584 16.749 -4.287 575 HB2 ARG 70 HB2 ARG 70 -3.978 19.346 -5.014 576 HB3 ARG 70 HB1 ARG 70 -4.739 17.808 -5.384 577 HG2 ARG 70 HG2 ARG 70 -3.955 18.764 -2.619 578 HG3 ARG 70 HG1 ARG 70 -5.591 18.736 -3.293 579 HD2 ARG 70 HD2 ARG 70 -5.214 16.191 -3.619 580 HD3 ARG 70 HD1 ARG 70 -3.824 16.388 -2.543 581 HE ARG 70 HE ARG 70 -6.417 17.368 -1.593 582 HH11 ARG 70 HH11 ARG 70 -4.012 14.822 -1.438 583 HH12 ARG 70 HH12 ARG 70 -4.678 14.121 -0.004 584 HH21 ARG 70 HH21 ARG 70 -7.290 16.425 0.277 585 HH22 ARG 70 HH22 ARG 70 -6.536 15.023 0.960 586 H LEU 71 HN LEU 71 -2.152 19.201 -6.834 587 HA LEU 71 HA LEU 71 -2.783 17.543 -9.047 588 HB2 LEU 71 HB2 LEU 71 -1.033 20.032 -9.019 589 HB3 LEU 71 HB1 LEU 71 -1.786 19.309 -10.431 590 HG LEU 71 HG LEU 71 -3.114 20.854 -8.186 591 HD11 LEU 71 HD11 LEU 71 -3.161 21.261 -11.189 592 HD12 LEU 71 HD12 LEU 71 -2.176 22.160 -10.029 593 HD13 LEU 71 HD13 LEU 71 -3.932 22.283 -9.966 594 HD21 LEU 71 HD21 LEU 71 -4.564 19.197 -10.275 595 HD22 LEU 71 HD22 LEU 71 -5.312 20.361 -9.177 596 HD23 LEU 71 HD23 LEU 71 -4.544 18.916 -8.531 597 H ALA 72 HN ALA 72 0.220 18.254 -7.364 598 HA ALA 72 HA ALA 72 2.089 17.286 -9.244 599 HB1 ALA 72 HB1 ALA 72 3.700 17.313 -7.375 600 HB2 ALA 72 HB2 ALA 72 2.371 17.527 -6.229 601 HB3 ALA 72 HB3 ALA 72 2.731 18.791 -7.408 602 H LEU 73 HN LEU 73 0.845 15.771 -6.242 603 HA LEU 73 HA LEU 73 2.052 13.229 -6.738 604 HB2 LEU 73 HB2 LEU 73 -0.060 14.096 -4.752 605 HB3 LEU 73 HB1 LEU 73 0.419 12.413 -4.915 606 HG LEU 73 HG LEU 73 2.843 13.242 -4.490 607 HD11 LEU 73 HD11 LEU 73 1.363 15.656 -3.424 608 HD12 LEU 73 HD12 LEU 73 2.479 15.623 -4.793 609 HD13 LEU 73 HD13 LEU 73 3.075 15.288 -3.168 610 HD21 LEU 73 HD21 LEU 73 0.815 13.311 -2.244 611 HD22 LEU 73 HD22 LEU 73 2.559 13.096 -2.062 612 HD23 LEU 73 HD23 LEU 73 1.607 11.877 -2.908 613 H TRP 74 HN TRP 74 -1.076 14.630 -7.578 614 HA TRP 74 HA TRP 74 -2.461 12.302 -8.305 615 HB2 TRP 74 HB2 TRP 74 -3.677 14.407 -8.324 616 HB3 TRP 74 HB1 TRP 74 -2.614 15.088 -9.552 617 HD1 TRP 74 HD1 TRP 74 -5.061 12.059 -9.258 618 HE1 TRP 74 HE1 TRP 74 -6.148 11.689 -11.550 619 HE3 TRP 74 HE3 TRP 74 -2.682 15.727 -11.894 620 HZ2 TRP 74 HZ2 TRP 74 -6.028 12.788 -14.126 621 HZ3 TRP 74 HZ3 TRP 74 -3.220 16.012 -14.282 622 HH2 TRP 74 HH2 TRP 74 -4.865 14.566 -15.369 623 H ILE 75 HN ILE 75 -0.622 14.496 -10.479 624 HA ILE 75 HA ILE 75 -0.829 12.754 -12.726 625 HB ILE 75 HB ILE 75 -0.612 15.265 -12.880 626 HG12 ILE 75 HG12 ILE 75 0.769 15.241 -14.950 627 HG13 ILE 75 HG11 ILE 75 1.435 13.677 -14.505 628 HG21 ILE 75 HG21 ILE 75 1.636 16.293 -12.800 629 HG22 ILE 75 HG22 ILE 75 2.323 14.762 -12.260 630 HG23 ILE 75 HG23 ILE 75 1.172 15.622 -11.236 631 HD11 ILE 75 HD11 ILE 75 -0.275 13.505 -16.230 632 HD12 ILE 75 HD12 ILE 75 -1.463 14.235 -15.150 633 HD13 ILE 75 HD13 ILE 75 -0.765 12.658 -14.763 634 H HIS 76 HN HIS 76 1.458 13.110 -10.132 635 HA HIS 76 HA HIS 76 3.652 11.680 -11.241 636 HB2 HIS 76 HB2 HIS 76 3.663 13.166 -9.162 637 HB3 HIS 76 HB1 HIS 76 2.886 11.845 -8.299 638 HD1 HIS 76 HD1 HIS 76 4.440 10.343 -7.154 639 HD2 HIS 76 HD2 HIS 76 6.292 12.318 -10.297 640 HE1 HIS 76 HE1 HIS 76 6.850 9.729 -7.009 641 HE2 HIS 76 HE2 HIS 76 7.940 10.832 -8.984 642 H ALA 77 HN ALA 77 0.730 10.686 -9.461 643 HA ALA 77 HA ALA 77 1.429 7.834 -9.616 644 HB1 ALA 77 HB1 ALA 77 -1.059 9.189 -8.520 645 HB2 ALA 77 HB2 ALA 77 0.355 8.708 -7.580 646 HB3 ALA 77 HB3 ALA 77 -0.647 7.479 -8.352 647 H ALA 78 HN ALA 78 -0.298 10.146 -11.522 648 HA ALA 78 HA ALA 78 -2.182 8.332 -12.771 649 HB1 ALA 78 HB1 ALA 78 -1.442 11.171 -13.579 650 HB2 ALA 78 HB2 ALA 78 -2.750 10.729 -12.482 651 HB3 ALA 78 HB3 ALA 78 -2.823 10.244 -14.177 652 H LEU 79 HN LEU 79 0.803 10.013 -13.763 653 HA LEU 79 HA LEU 79 1.221 8.730 -16.233 654 HB2 LEU 79 HB2 LEU 79 3.204 9.846 -14.207 655 HB3 LEU 79 HB1 LEU 79 3.685 9.257 -15.793 656 HG LEU 79 HG LEU 79 1.802 11.620 -15.310 657 HD11 LEU 79 HD11 LEU 79 4.093 12.178 -14.619 658 HD12 LEU 79 HD12 LEU 79 3.650 13.060 -16.077 659 HD13 LEU 79 HD13 LEU 79 4.715 11.658 -16.187 660 HD21 LEU 79 HD21 LEU 79 2.035 12.048 -17.735 661 HD22 LEU 79 HD22 LEU 79 1.289 10.484 -17.422 662 HD23 LEU 79 HD23 LEU 79 2.983 10.568 -17.913 663 HA PRO 80 HA PRO 80 1.525 4.576 -14.473 664 HB2 PRO 80 HB2 PRO 80 2.316 3.207 -16.754 665 HB3 PRO 80 HB1 PRO 80 0.658 3.750 -16.454 666 HG2 PRO 80 HG2 PRO 80 2.824 5.093 -18.081 667 HG3 PRO 80 HG1 PRO 80 1.119 4.809 -18.510 668 HD2 PRO 80 HD2 PRO 80 1.936 7.206 -17.622 669 HD3 PRO 80 HD1 PRO 80 0.354 6.558 -17.137 670 H ASP 81 HN ASP 81 4.255 6.029 -16.160 671 HA ASP 81 HA ASP 81 6.255 4.228 -15.084 672 HB2 ASP 81 HB2 ASP 81 6.578 5.343 -17.264 673 HB3 ASP 81 HB1 ASP 81 6.510 6.919 -16.494 674 H ASN 82 HN ASN 82 4.553 6.950 -13.973 675 HA ASN 82 HA ASN 82 4.507 8.241 -12.159 676 HB2 ASN 82 HB2 ASN 82 6.402 6.166 -10.976 677 HB3 ASN 82 HB1 ASN 82 5.625 7.437 -10.042 678 HD21 ASN 82 HD21 ASN 82 3.036 7.210 -11.485 679 HD22 ASN 82 HD22 ASN 82 2.324 5.739 -10.930 680 H ASP 83 HN ASP 83 5.955 9.104 -14.155 681 HA ASP 83 HA ASP 83 8.631 9.678 -13.985 682 HB2 ASP 83 HB2 ASP 83 6.490 11.491 -15.183 683 HB3 ASP 83 HB1 ASP 83 8.209 11.516 -15.582 684 HA PRO 84 HA PRO 84 8.765 13.076 -10.908 685 HB2 PRO 84 HB2 PRO 84 11.401 13.648 -11.041 686 HB3 PRO 84 HB1 PRO 84 10.837 12.142 -10.299 687 HG2 PRO 84 HG2 PRO 84 11.922 12.584 -13.090 688 HG3 PRO 84 HG1 PRO 84 12.339 11.310 -11.918 689 HD2 PRO 84 HD2 PRO 84 10.537 10.943 -13.959 690 HD3 PRO 84 HD1 PRO 84 10.452 10.054 -12.427 691 H LEU 85 HN LEU 85 9.163 13.122 -14.273 692 HA LEU 85 HA LEU 85 9.311 14.592 -15.933 693 HB2 LEU 85 HB2 LEU 85 8.066 16.465 -13.896 694 HB3 LEU 85 HB1 LEU 85 8.372 16.922 -15.561 695 HG LEU 85 HG LEU 85 6.904 14.923 -16.243 696 HD11 LEU 85 HD11 LEU 85 6.807 13.697 -14.164 697 HD12 LEU 85 HD12 LEU 85 5.182 14.222 -14.601 698 HD13 LEU 85 HD13 LEU 85 6.076 15.071 -13.344 699 HD21 LEU 85 HD21 LEU 85 4.864 16.233 -16.032 700 HD22 LEU 85 HD22 LEU 85 6.229 17.249 -16.479 701 HD23 LEU 85 HD23 LEU 85 5.626 17.263 -14.819 702 H LYS 86 HN LYS 86 11.609 14.012 -14.970 703 HA LYS 86 HA LYS 86 13.202 16.213 -14.064 704 HB2 LYS 86 HB2 LYS 86 13.691 13.875 -13.438 705 HB3 LYS 86 HB1 LYS 86 13.998 13.475 -15.119 706 HG2 LYS 86 HG2 LYS 86 16.117 13.668 -14.065 707 HG3 LYS 86 HG1 LYS 86 15.939 15.087 -15.088 708 HD2 LYS 86 HD2 LYS 86 15.307 15.202 -12.114 709 HD3 LYS 86 HD1 LYS 86 16.958 15.364 -12.702 710 HE2 LYS 86 HE2 LYS 86 14.629 17.197 -13.373 711 HE3 LYS 86 HE1 LYS 86 15.994 17.576 -12.324 712 HZ1 LYS 86 HZ1 LYS 86 17.457 17.329 -14.266 713 HZ2 LYS 86 HZ2 LYS 86 16.310 18.550 -14.489 714 HZ3 LYS 86 HZ3 LYS 86 16.109 17.055 -15.248 Start of MODEL 16 1 H MET 1 HT1 MET 1 3.061 3.826 -10.784 2 HA MET 1 HA MET 1 1.928 1.939 -9.843 3 HB2 MET 1 HB2 MET 1 3.817 0.345 -10.085 4 HB3 MET 1 HB1 MET 1 4.692 1.181 -8.811 5 HG2 MET 1 HG2 MET 1 2.892 0.550 -7.211 6 HG3 MET 1 HG1 MET 1 2.101 -0.352 -8.506 7 HE1 MET 1 HE1 MET 1 4.661 -1.632 -10.041 8 HE2 MET 1 HE2 MET 1 3.192 -2.537 -9.669 9 HE3 MET 1 HE3 MET 1 4.768 -3.187 -9.217 10 H SER 2 HN SER 2 4.740 3.389 -8.130 11 HA SER 2 HA SER 2 3.176 3.914 -5.742 12 HB2 SER 2 HB2 SER 2 6.084 4.530 -6.409 13 HB3 SER 2 HB1 SER 2 5.342 4.715 -4.815 14 HG SER 2 HG SER 2 5.483 2.277 -6.261 15 H LYS 3 HN LYS 3 2.141 5.799 -5.300 16 HA LYS 3 HA LYS 3 2.345 8.162 -6.904 17 HB2 LYS 3 HB2 LYS 3 0.892 9.222 -5.222 18 HB3 LYS 3 HB1 LYS 3 0.278 7.638 -5.676 19 HG2 LYS 3 HG2 LYS 3 1.134 6.665 -3.595 20 HG3 LYS 3 HG1 LYS 3 1.847 8.212 -3.134 21 HD2 LYS 3 HD2 LYS 3 -1.130 7.656 -3.476 22 HD3 LYS 3 HD1 LYS 3 -0.277 7.793 -1.938 23 HE2 LYS 3 HE2 LYS 3 0.270 10.148 -2.457 24 HE3 LYS 3 HE1 LYS 3 -0.593 10.011 -3.992 25 HZ1 LYS 3 HZ1 LYS 3 -1.751 9.783 -1.273 26 HZ2 LYS 3 HZ2 LYS 3 -2.603 9.481 -2.698 27 HZ3 LYS 3 HZ3 LYS 3 -2.004 11.025 -2.390 28 H THR 4 HN THR 4 3.991 6.998 -4.077 29 HA THR 4 HA THR 4 5.459 9.523 -3.669 30 HB THR 4 HB THR 4 5.557 6.985 -1.976 31 HG1 THR 4 HG1 THR 4 3.626 7.571 -1.366 32 HG21 THR 4 HG21 THR 4 7.479 8.513 -1.627 33 HG22 THR 4 HG22 THR 4 6.423 8.496 -0.214 34 HG23 THR 4 HG23 THR 4 6.366 9.855 -1.337 35 H ALA 5 HN ALA 5 7.203 9.684 -4.878 36 HA ALA 5 HA ALA 5 9.350 7.778 -4.844 37 HB1 ALA 5 HB1 ALA 5 7.988 6.820 -6.688 38 HB2 ALA 5 HB2 ALA 5 9.506 7.475 -7.303 39 HB3 ALA 5 HB3 ALA 5 8.005 8.375 -7.522 40 H LYS 6 HN LYS 6 10.730 9.023 -7.114 41 HA LYS 6 HA LYS 6 11.792 11.353 -5.944 42 HB2 LYS 6 HB2 LYS 6 11.868 10.586 -8.893 43 HB3 LYS 6 HB1 LYS 6 12.966 11.695 -8.079 44 HG2 LYS 6 HG2 LYS 6 13.840 9.825 -6.718 45 HG3 LYS 6 HG1 LYS 6 12.753 8.710 -7.554 46 HD2 LYS 6 HD2 LYS 6 15.014 10.318 -8.819 47 HD3 LYS 6 HD1 LYS 6 15.026 8.585 -8.497 48 HE2 LYS 6 HE2 LYS 6 13.192 8.262 -10.113 49 HE3 LYS 6 HE1 LYS 6 13.140 9.998 -10.421 50 HZ1 LYS 6 HZ1 LYS 6 15.452 8.225 -10.975 51 HZ2 LYS 6 HZ2 LYS 6 15.379 9.881 -11.296 52 HZ3 LYS 6 HZ3 LYS 6 14.365 8.814 -12.129 53 H LEU 7 HN LEU 7 11.207 13.462 -6.060 54 HA LEU 7 HA LEU 7 9.385 14.520 -8.075 55 HB2 LEU 7 HB2 LEU 7 7.939 13.523 -6.255 56 HB3 LEU 7 HB1 LEU 7 8.662 14.615 -5.101 57 HG LEU 7 HG LEU 7 7.248 15.823 -7.490 58 HD11 LEU 7 HD11 LEU 7 5.661 14.086 -6.735 59 HD12 LEU 7 HD12 LEU 7 5.051 15.706 -6.422 60 HD13 LEU 7 HD13 LEU 7 5.715 14.744 -5.095 61 HD21 LEU 7 HD21 LEU 7 6.638 17.585 -5.909 62 HD22 LEU 7 HD22 LEU 7 8.377 17.306 -5.858 63 HD23 LEU 7 HD23 LEU 7 7.345 16.670 -4.573 64 H ASN 8 HN ASN 8 11.095 15.822 -8.731 65 HA ASN 8 HA ASN 8 12.782 17.190 -6.813 66 HB2 ASN 8 HB2 ASN 8 13.987 18.060 -8.881 67 HB3 ASN 8 HB1 ASN 8 13.964 16.318 -8.676 68 HD21 ASN 8 HD21 ASN 8 12.879 18.980 -10.653 69 HD22 ASN 8 HD22 ASN 8 12.281 18.022 -11.961 70 H ASN 9 HN ASN 9 10.876 18.429 -9.601 71 HA ASN 9 HA ASN 9 10.400 20.937 -8.081 72 HB2 ASN 9 HB2 ASN 9 10.768 20.582 -11.095 73 HB3 ASN 9 HB1 ASN 9 10.160 22.059 -10.350 74 HD21 ASN 9 HD21 ASN 9 11.580 23.317 -9.051 75 HD22 ASN 9 HD22 ASN 9 13.295 23.159 -9.188 76 H GLU 10 HN GLU 10 8.483 20.395 -7.189 77 HA GLU 10 HA GLU 10 6.295 19.025 -8.120 78 HB2 GLU 10 HB2 GLU 10 6.571 19.914 -5.810 79 HB3 GLU 10 HB1 GLU 10 6.308 21.546 -6.407 80 HG2 GLU 10 HG2 GLU 10 4.003 20.960 -7.040 81 HG3 GLU 10 HG1 GLU 10 4.258 19.315 -6.462 82 H GLU 11 HN GLU 11 7.208 22.328 -8.711 83 HA GLU 11 HA GLU 11 5.140 23.616 -9.901 84 HB2 GLU 11 HB2 GLU 11 8.037 23.627 -10.850 85 HB3 GLU 11 HB1 GLU 11 6.867 24.923 -11.102 86 HG2 GLU 11 HG2 GLU 11 6.863 25.504 -8.783 87 HG3 GLU 11 HG1 GLU 11 7.689 24.016 -8.329 88 H LYS 12 HN LYS 12 7.369 21.357 -11.521 89 HA LYS 12 HA LYS 12 6.321 21.685 -14.157 90 HB2 LYS 12 HB2 LYS 12 8.004 19.408 -13.033 91 HB3 LYS 12 HB1 LYS 12 7.736 19.743 -14.743 92 HG2 LYS 12 HG2 LYS 12 8.876 21.968 -14.417 93 HG3 LYS 12 HG1 LYS 12 9.241 21.484 -12.762 94 HD2 LYS 12 HD2 LYS 12 11.194 21.110 -14.171 95 HD3 LYS 12 HD1 LYS 12 10.553 19.558 -13.625 96 HE2 LYS 12 HE2 LYS 12 9.461 19.235 -15.816 97 HE3 LYS 12 HE1 LYS 12 10.071 20.800 -16.359 98 HZ1 LYS 12 HZ1 LYS 12 11.446 19.018 -17.168 99 HZ2 LYS 12 HZ2 LYS 12 11.724 18.453 -15.596 100 HZ3 LYS 12 HZ3 LYS 12 12.324 19.962 -16.072 101 H LEU 13 HN LEU 13 5.797 19.354 -11.564 102 HA LEU 13 HA LEU 13 4.104 17.543 -12.934 103 HB2 LEU 13 HB2 LEU 13 4.404 18.161 -9.983 104 HB3 LEU 13 HB1 LEU 13 3.323 16.921 -10.598 105 HG LEU 13 HG LEU 13 5.430 15.909 -11.729 106 HD11 LEU 13 HD11 LEU 13 6.989 17.743 -11.415 107 HD12 LEU 13 HD12 LEU 13 7.572 16.281 -10.624 108 HD13 LEU 13 HD13 LEU 13 6.860 17.582 -9.662 109 HD21 LEU 13 HD21 LEU 13 4.252 14.817 -9.926 110 HD22 LEU 13 HD22 LEU 13 5.135 15.768 -8.731 111 HD23 LEU 13 HD23 LEU 13 5.990 14.599 -9.743 112 H VAL 14 HN VAL 14 3.514 20.489 -11.106 113 HA VAL 14 HA VAL 14 0.695 20.470 -11.022 114 HB VAL 14 HB VAL 14 2.617 22.844 -11.021 115 HG11 VAL 14 HG11 VAL 14 -0.314 22.785 -10.182 116 HG12 VAL 14 HG12 VAL 14 0.346 23.623 -11.586 117 HG13 VAL 14 HG13 VAL 14 0.785 24.151 -9.961 118 HG21 VAL 14 HG21 VAL 14 1.336 21.365 -8.698 119 HG22 VAL 14 HG22 VAL 14 2.393 22.774 -8.575 120 HG23 VAL 14 HG23 VAL 14 3.022 21.253 -9.196 121 H LYS 15 HN LYS 15 2.978 22.020 -13.299 122 HA LYS 15 HA LYS 15 1.081 23.170 -15.030 123 HB2 LYS 15 HB2 LYS 15 3.927 22.277 -15.626 124 HB3 LYS 15 HB1 LYS 15 2.957 23.295 -16.686 125 HG2 LYS 15 HG2 LYS 15 2.861 25.022 -14.871 126 HG3 LYS 15 HG1 LYS 15 3.947 24.016 -13.908 127 HD2 LYS 15 HD2 LYS 15 4.557 25.329 -16.587 128 HD3 LYS 15 HD1 LYS 15 5.250 25.750 -15.021 129 HE2 LYS 15 HE2 LYS 15 6.382 23.563 -14.924 130 HE3 LYS 15 HE1 LYS 15 5.664 23.105 -16.470 131 HZ1 LYS 15 HZ1 LYS 15 6.835 25.034 -17.456 132 HZ2 LYS 15 HZ2 LYS 15 7.867 23.840 -16.857 133 HZ3 LYS 15 HZ3 LYS 15 7.631 25.264 -15.977 134 H LYS 16 HN LYS 16 2.636 19.987 -15.043 135 HA LYS 16 HA LYS 16 1.588 19.074 -17.528 136 HB2 LYS 16 HB2 LYS 16 3.570 18.048 -16.402 137 HB3 LYS 16 HB1 LYS 16 2.522 17.436 -15.134 138 HG2 LYS 16 HG2 LYS 16 3.093 15.669 -16.733 139 HG3 LYS 16 HG1 LYS 16 1.359 15.995 -16.750 140 HD2 LYS 16 HD2 LYS 16 2.072 15.715 -19.030 141 HD3 LYS 16 HD1 LYS 16 1.699 17.419 -18.795 142 HE2 LYS 16 HE2 LYS 16 4.141 17.879 -18.518 143 HE3 LYS 16 HE1 LYS 16 4.477 16.176 -18.858 144 HZ1 LYS 16 HZ1 LYS 16 3.401 16.481 -21.032 145 HZ2 LYS 16 HZ2 LYS 16 4.748 17.489 -20.837 146 HZ3 LYS 16 HZ3 LYS 16 3.186 18.130 -20.689 147 H ALA 17 HN ALA 17 0.423 19.023 -14.215 148 HA ALA 17 HA ALA 17 -1.910 17.416 -14.684 149 HB1 ALA 17 HB1 ALA 17 -0.918 17.617 -12.442 150 HB2 ALA 17 HB2 ALA 17 -2.605 18.138 -12.438 151 HB3 ALA 17 HB3 ALA 17 -1.308 19.338 -12.412 152 H LEU 18 HN LEU 18 -1.124 20.835 -15.025 153 HA LEU 18 HA LEU 18 -3.806 21.776 -15.362 154 HB2 LEU 18 HB2 LEU 18 -1.289 23.037 -16.515 155 HB3 LEU 18 HB1 LEU 18 -2.852 23.817 -16.317 156 HG LEU 18 HG LEU 18 -0.907 23.012 -14.135 157 HD11 LEU 18 HD11 LEU 18 -0.815 25.393 -13.600 158 HD12 LEU 18 HD12 LEU 18 -1.920 25.749 -14.932 159 HD13 LEU 18 HD13 LEU 18 -0.318 25.086 -15.266 160 HD21 LEU 18 HD21 LEU 18 -3.700 24.116 -13.756 161 HD22 LEU 18 HD22 LEU 18 -2.487 23.908 -12.491 162 HD23 LEU 18 HD23 LEU 18 -3.136 22.500 -13.322 163 H GLU 19 HN GLU 19 -1.324 20.474 -17.493 164 HA GLU 19 HA GLU 19 -2.668 20.881 -19.964 165 HB2 GLU 19 HB2 GLU 19 -0.546 18.833 -19.207 166 HB3 GLU 19 HB1 GLU 19 -1.056 19.185 -20.855 167 HG2 GLU 19 HG2 GLU 19 -0.251 21.519 -20.588 168 HG3 GLU 19 HG1 GLU 19 0.283 21.131 -18.954 169 H ILE 20 HN ILE 20 -2.321 17.925 -17.973 170 HA ILE 20 HA ILE 20 -4.059 16.341 -19.605 171 HB ILE 20 HB ILE 20 -3.066 15.750 -16.782 172 HG12 ILE 20 HG12 ILE 20 -1.135 16.125 -18.262 173 HG13 ILE 20 HG11 ILE 20 -1.250 14.415 -17.874 174 HG21 ILE 20 HG21 ILE 20 -4.166 13.863 -18.896 175 HG22 ILE 20 HG22 ILE 20 -4.956 14.322 -17.388 176 HG23 ILE 20 HG23 ILE 20 -3.475 13.367 -17.346 177 HD11 ILE 20 HD11 ILE 20 -2.077 15.719 -20.471 178 HD12 ILE 20 HD12 ILE 20 -2.237 14.001 -20.090 179 HD13 ILE 20 HD13 ILE 20 -0.639 14.739 -20.183 180 H GLY 21 HN GLY 21 -4.417 17.789 -16.353 181 HA2 GLY 21 HA2 GLY 21 -7.108 17.049 -15.912 182 HA3 GLY 21 HA1 GLY 21 -6.252 18.351 -15.104 183 H GLY 22 HN GLY 22 -5.649 19.853 -17.526 184 HA2 GLY 22 HA2 GLY 22 -8.016 21.414 -17.795 185 HA3 GLY 22 HA1 GLY 22 -6.540 21.594 -18.725 186 H LYS 23 HN LYS 23 -6.363 19.202 -20.099 187 HA LYS 23 HA LYS 23 -8.237 19.583 -22.230 188 HB2 LYS 23 HB2 LYS 23 -7.204 17.634 -23.333 189 HB3 LYS 23 HB1 LYS 23 -5.977 18.740 -22.738 190 HG2 LYS 23 HG2 LYS 23 -5.099 17.216 -21.286 191 HG3 LYS 23 HG1 LYS 23 -6.674 16.574 -20.841 192 HD2 LYS 23 HD2 LYS 23 -6.723 15.249 -22.926 193 HD3 LYS 23 HD1 LYS 23 -5.133 15.882 -23.368 194 HE2 LYS 23 HE2 LYS 23 -4.149 14.820 -21.378 195 HE3 LYS 23 HE1 LYS 23 -5.740 14.253 -20.873 196 HZ1 LYS 23 HZ1 LYS 23 -5.847 12.859 -22.808 197 HZ2 LYS 23 HZ2 LYS 23 -4.422 12.529 -21.957 198 HZ3 LYS 23 HZ3 LYS 23 -4.369 13.449 -23.376 199 H MET 24 HN MET 24 -7.970 17.202 -19.602 200 HA MET 24 HA MET 24 -10.078 15.501 -20.455 201 HB2 MET 24 HB2 MET 24 -8.799 15.946 -17.747 202 HB3 MET 24 HB1 MET 24 -10.166 14.851 -17.940 203 HG2 MET 24 HG2 MET 24 -8.726 13.656 -19.701 204 HG3 MET 24 HG1 MET 24 -7.378 14.586 -19.045 205 HE1 MET 24 HE1 MET 24 -8.688 14.647 -15.911 206 HE2 MET 24 HE2 MET 24 -6.956 14.583 -16.251 207 HE3 MET 24 HE3 MET 24 -7.699 13.374 -15.202 208 H ALA 25 HN ALA 25 -9.959 18.268 -18.191 209 HA ALA 25 HA ALA 25 -12.601 18.380 -17.348 210 HB1 ALA 25 HB1 ALA 25 -12.229 20.789 -16.933 211 HB2 ALA 25 HB2 ALA 25 -10.761 20.739 -17.915 212 HB3 ALA 25 HB3 ALA 25 -10.845 19.829 -16.405 213 H LYS 26 HN LYS 26 -11.087 19.809 -20.192 214 HA LYS 26 HA LYS 26 -13.219 21.150 -21.326 215 HB2 LYS 26 HB2 LYS 26 -10.855 21.332 -22.061 216 HB3 LYS 26 HB1 LYS 26 -10.950 19.724 -22.769 217 HG2 LYS 26 HG2 LYS 26 -12.581 20.490 -24.421 218 HG3 LYS 26 HG1 LYS 26 -12.648 22.086 -23.662 219 HD2 LYS 26 HD2 LYS 26 -10.228 20.845 -25.037 220 HD3 LYS 26 HD1 LYS 26 -11.239 22.144 -25.682 221 HE2 LYS 26 HE2 LYS 26 -10.554 23.588 -23.776 222 HE3 LYS 26 HE1 LYS 26 -9.508 22.294 -23.185 223 HZ1 LYS 26 HZ1 LYS 26 -8.306 23.961 -24.450 224 HZ2 LYS 26 HZ2 LYS 26 -9.251 23.636 -25.814 225 HZ3 LYS 26 HZ3 LYS 26 -8.215 22.446 -25.201 226 H MET 27 HN MET 27 -12.096 17.847 -22.035 227 HA MET 27 HA MET 27 -14.116 17.154 -23.883 228 HB2 MET 27 HB2 MET 27 -12.275 15.418 -22.201 229 HB3 MET 27 HB1 MET 27 -13.301 14.788 -23.486 230 HG2 MET 27 HG2 MET 27 -12.096 16.247 -25.115 231 HG3 MET 27 HG1 MET 27 -11.026 16.765 -23.814 232 HE1 MET 27 HE1 MET 27 -9.229 15.181 -22.648 233 HE2 MET 27 HE2 MET 27 -9.068 13.460 -23.002 234 HE3 MET 27 HE3 MET 27 -10.510 14.056 -22.182 235 H GLN 28 HN GLN 28 -13.929 16.796 -20.368 236 HA GLN 28 HA GLN 28 -16.203 15.113 -20.014 237 HB2 GLN 28 HB2 GLN 28 -14.776 16.976 -18.081 238 HB3 GLN 28 HB1 GLN 28 -16.125 15.952 -17.597 239 HG2 GLN 28 HG2 GLN 28 -13.442 15.002 -18.642 240 HG3 GLN 28 HG1 GLN 28 -13.957 14.982 -16.960 241 HE21 GLN 28 HE21 GLN 28 -14.131 13.392 -20.022 242 HE22 GLN 28 HE22 GLN 28 -15.025 12.011 -19.493 243 H GLY 29 HN GLY 29 -15.715 18.574 -20.301 244 HA2 GLY 29 HA2 GLY 29 -17.728 19.571 -21.497 245 HA3 GLY 29 HA1 GLY 29 -18.648 19.051 -20.090 246 H PHE 30 HN PHE 30 -15.470 20.667 -20.506 247 HA PHE 30 HA PHE 30 -16.447 23.078 -19.077 248 HB2 PHE 30 HB2 PHE 30 -13.991 21.478 -18.187 249 HB3 PHE 30 HB1 PHE 30 -14.405 23.078 -17.594 250 HD1 PHE 30 HD2 PHE 30 -16.622 23.365 -16.316 251 HD2 PHE 30 HD1 PHE 30 -14.863 19.544 -17.101 252 HE1 PHE 30 HE2 PHE 30 -17.943 22.372 -14.494 253 HE2 PHE 30 HE1 PHE 30 -16.192 18.560 -15.277 254 HZ PHE 30 HZ PHE 30 -17.728 19.976 -13.969 255 H ASP 31 HN ASP 31 -14.515 24.714 -18.969 256 HA ASP 31 HA ASP 31 -12.183 24.243 -20.553 257 HB2 ASP 31 HB2 ASP 31 -13.772 25.141 -22.327 258 HB3 ASP 31 HB1 ASP 31 -13.928 26.624 -21.390 259 H LEU 32 HN LEU 32 -10.858 24.721 -18.919 260 HA LEU 32 HA LEU 32 -11.575 26.488 -16.770 261 HB2 LEU 32 HB2 LEU 32 -8.930 25.076 -17.311 262 HB3 LEU 32 HB1 LEU 32 -9.448 25.760 -15.776 263 HG LEU 32 HG LEU 32 -10.708 23.358 -17.170 264 HD11 LEU 32 HD11 LEU 32 -9.802 22.037 -15.314 265 HD12 LEU 32 HD12 LEU 32 -9.029 23.480 -14.651 266 HD13 LEU 32 HD13 LEU 32 -8.519 22.843 -16.216 267 HD21 LEU 32 HD21 LEU 32 -12.424 24.620 -15.944 268 HD22 LEU 32 HD22 LEU 32 -11.434 24.588 -14.483 269 HD23 LEU 32 HD23 LEU 32 -12.087 23.087 -15.143 270 HA PRO 33 HA PRO 33 -9.752 30.339 -18.286 271 HB2 PRO 33 HB2 PRO 33 -8.813 31.405 -15.876 272 HB3 PRO 33 HB1 PRO 33 -10.493 31.488 -16.419 273 HG2 PRO 33 HG2 PRO 33 -9.205 29.524 -14.528 274 HG3 PRO 33 HG1 PRO 33 -10.764 30.368 -14.377 275 HD2 PRO 33 HD2 PRO 33 -10.667 27.809 -15.176 276 HD3 PRO 33 HD1 PRO 33 -11.827 28.936 -15.916 277 H GLN 34 HN GLN 34 -7.633 31.416 -18.573 278 HA GLN 34 HA GLN 34 -5.358 29.560 -18.183 279 HB2 GLN 34 HB2 GLN 34 -4.686 29.978 -20.552 280 HB3 GLN 34 HB1 GLN 34 -6.213 29.126 -20.391 281 HG2 GLN 34 HG2 GLN 34 -7.446 31.192 -20.884 282 HG3 GLN 34 HG1 GLN 34 -5.935 32.086 -21.001 283 HE21 GLN 34 HE21 GLN 34 -4.509 30.008 -22.479 284 HE22 GLN 34 HE22 GLN 34 -5.168 29.999 -24.074 285 H SER 35 HN SER 35 -6.356 32.922 -18.749 286 HA SER 35 HA SER 35 -3.684 33.844 -19.198 287 HB2 SER 35 HB2 SER 35 -4.798 36.147 -19.249 288 HB3 SER 35 HB1 SER 35 -5.339 34.978 -20.448 289 HG SER 35 HG SER 35 -6.720 36.190 -18.429 290 HA PRO 36 HA PRO 36 -4.044 36.300 -15.044 291 HB2 PRO 36 HB2 PRO 36 -5.699 35.540 -13.028 292 HB3 PRO 36 HB1 PRO 36 -6.265 36.539 -14.373 293 HG2 PRO 36 HG2 PRO 36 -6.516 33.569 -13.975 294 HG3 PRO 36 HG1 PRO 36 -7.765 34.728 -14.453 295 HD2 PRO 36 HD2 PRO 36 -6.445 33.174 -16.280 296 HD3 PRO 36 HD1 PRO 36 -7.008 34.813 -16.672 297 H GLN 37 HN GLN 37 -3.974 32.848 -15.059 298 HA GLN 37 HA GLN 37 -2.115 31.614 -14.827 299 HB2 GLN 37 HB2 GLN 37 -0.979 33.646 -12.888 300 HB3 GLN 37 HB1 GLN 37 -0.177 32.150 -13.339 301 HG2 GLN 37 HG2 GLN 37 -0.047 32.885 -15.676 302 HG3 GLN 37 HG1 GLN 37 -0.930 34.360 -15.276 303 HE21 GLN 37 HE21 GLN 37 1.712 34.127 -16.454 304 HE22 GLN 37 HE22 GLN 37 2.800 34.940 -15.386 305 HA PRO 38 HA PRO 38 -2.204 29.783 -10.444 306 HB2 PRO 38 HB2 PRO 38 -3.194 30.982 -8.231 307 HB3 PRO 38 HB1 PRO 38 -1.599 31.406 -8.877 308 HG2 PRO 38 HG2 PRO 38 -4.250 32.808 -9.356 309 HG3 PRO 38 HG1 PRO 38 -2.713 33.512 -8.787 310 HD2 PRO 38 HD2 PRO 38 -3.437 33.631 -11.385 311 HD3 PRO 38 HD1 PRO 38 -1.734 33.398 -10.925 312 H VAL 39 HN VAL 39 -4.998 31.322 -11.598 313 HA VAL 39 HA VAL 39 -7.106 30.101 -10.184 314 HB VAL 39 HB VAL 39 -8.539 30.749 -12.098 315 HG11 VAL 39 HG11 VAL 39 -6.504 32.895 -11.399 316 HG12 VAL 39 HG12 VAL 39 -7.947 32.482 -10.473 317 HG13 VAL 39 HG13 VAL 39 -8.107 33.181 -12.082 318 HG21 VAL 39 HG21 VAL 39 -7.588 31.790 -14.134 319 HG22 VAL 39 HG22 VAL 39 -7.044 30.122 -13.960 320 HG23 VAL 39 HG23 VAL 39 -5.954 31.450 -13.556 321 H ARG 40 HN ARG 40 -5.089 29.040 -12.830 322 HA ARG 40 HA ARG 40 -6.742 27.013 -13.934 323 HB2 ARG 40 HB2 ARG 40 -3.701 27.064 -14.018 324 HB3 ARG 40 HB1 ARG 40 -4.795 26.315 -15.182 325 HG2 ARG 40 HG2 ARG 40 -5.610 28.683 -15.701 326 HG3 ARG 40 HG1 ARG 40 -4.244 29.262 -14.751 327 HD2 ARG 40 HD2 ARG 40 -3.601 29.272 -17.072 328 HD3 ARG 40 HD1 ARG 40 -2.723 27.955 -16.278 329 HE ARG 40 HE ARG 40 -5.218 27.116 -17.432 330 HH11 ARG 40 HH11 ARG 40 -1.879 27.804 -18.299 331 HH12 ARG 40 HH12 ARG 40 -1.887 26.669 -19.615 332 HH21 ARG 40 HH21 ARG 40 -5.215 25.676 -19.152 333 HH22 ARG 40 HH22 ARG 40 -3.769 25.454 -20.087 334 H VAL 41 HN VAL 41 -4.218 27.086 -11.514 335 HA VAL 41 HA VAL 41 -3.759 24.348 -11.146 336 HB VAL 41 HB VAL 41 -3.390 26.661 -9.179 337 HG11 VAL 41 HG11 VAL 41 -2.039 23.940 -9.153 338 HG12 VAL 41 HG12 VAL 41 -3.270 24.492 -8.023 339 HG13 VAL 41 HG13 VAL 41 -1.697 25.281 -8.053 340 HG21 VAL 41 HG21 VAL 41 -1.406 25.478 -11.167 341 HG22 VAL 41 HG22 VAL 41 -1.061 26.767 -10.009 342 HG23 VAL 41 HG23 VAL 41 -2.212 27.043 -11.315 343 H LYS 42 HN LYS 42 -5.864 26.602 -9.371 344 HA LYS 42 HA LYS 42 -6.952 24.613 -7.608 345 HB2 LYS 42 HB2 LYS 42 -6.669 27.195 -7.253 346 HB3 LYS 42 HB1 LYS 42 -8.203 27.339 -8.094 347 HG2 LYS 42 HG2 LYS 42 -7.896 25.558 -5.666 348 HG3 LYS 42 HG1 LYS 42 -8.180 27.284 -5.491 349 HD2 LYS 42 HD2 LYS 42 -10.024 25.356 -6.954 350 HD3 LYS 42 HD1 LYS 42 -10.261 25.919 -5.301 351 HE2 LYS 42 HE2 LYS 42 -10.215 27.702 -7.765 352 HE3 LYS 42 HE1 LYS 42 -11.666 27.154 -6.930 353 HZ1 LYS 42 HZ1 LYS 42 -9.534 28.800 -5.686 354 HZ2 LYS 42 HZ2 LYS 42 -11.006 28.353 -4.986 355 HZ3 LYS 42 HZ3 LYS 42 -10.986 29.405 -6.308 356 H ALA 43 HN ALA 43 -7.888 25.978 -10.710 357 HA ALA 43 HA ALA 43 -10.577 25.082 -10.854 358 HB1 ALA 43 HB1 ALA 43 -10.376 25.477 -13.282 359 HB2 ALA 43 HB2 ALA 43 -8.622 25.605 -13.126 360 HB3 ALA 43 HB3 ALA 43 -9.666 26.806 -12.363 361 H VAL 44 HN VAL 44 -7.538 23.649 -11.995 362 HA VAL 44 HA VAL 44 -8.559 21.246 -13.071 363 HB VAL 44 HB VAL 44 -5.782 21.900 -11.975 364 HG11 VAL 44 HG11 VAL 44 -4.949 19.894 -13.160 365 HG12 VAL 44 HG12 VAL 44 -6.603 19.451 -13.585 366 HG13 VAL 44 HG13 VAL 44 -6.098 19.457 -11.895 367 HG21 VAL 44 HG21 VAL 44 -5.138 22.128 -14.327 368 HG22 VAL 44 HG22 VAL 44 -6.481 23.203 -13.969 369 HG23 VAL 44 HG23 VAL 44 -6.771 21.702 -14.850 370 H TYR 45 HN TYR 45 -7.245 22.063 -9.850 371 HA TYR 45 HA TYR 45 -7.476 19.644 -8.528 372 HB2 TYR 45 HB2 TYR 45 -6.422 21.315 -7.296 373 HB3 TYR 45 HB1 TYR 45 -7.626 22.527 -7.686 374 HD1 TYR 45 HD1 TYR 45 -6.918 19.606 -5.459 375 HD2 TYR 45 HD2 TYR 45 -9.475 22.945 -6.232 376 HE1 TYR 45 HE1 TYR 45 -7.970 19.328 -3.244 377 HE2 TYR 45 HE2 TYR 45 -10.507 22.668 -4.034 378 HH TYR 45 HH TYR 45 -10.863 20.869 -2.404 379 H LEU 46 HN LEU 46 -10.035 22.161 -8.793 380 HA LEU 46 HA LEU 46 -12.048 20.842 -7.336 381 HB2 LEU 46 HB2 LEU 46 -12.256 22.894 -9.567 382 HB3 LEU 46 HB1 LEU 46 -13.661 22.314 -8.686 383 HG LEU 46 HG LEU 46 -11.325 23.851 -7.493 384 HD11 LEU 46 HD11 LEU 46 -14.194 24.703 -7.981 385 HD12 LEU 46 HD12 LEU 46 -12.772 25.266 -8.862 386 HD13 LEU 46 HD13 LEU 46 -12.959 25.657 -7.154 387 HD21 LEU 46 HD21 LEU 46 -13.840 22.828 -6.126 388 HD22 LEU 46 HD22 LEU 46 -12.624 23.884 -5.403 389 HD23 LEU 46 HD23 LEU 46 -12.194 22.242 -5.862 390 H PHE 47 HN PHE 47 -11.310 20.838 -10.793 391 HA PHE 47 HA PHE 47 -13.393 19.162 -11.680 392 HB2 PHE 47 HB2 PHE 47 -12.303 20.309 -13.430 393 HB3 PHE 47 HB1 PHE 47 -10.695 19.956 -12.803 394 HD1 PHE 47 HD2 PHE 47 -13.690 18.150 -14.220 395 HD2 PHE 47 HD1 PHE 47 -9.425 18.317 -13.902 396 HE1 PHE 47 HE2 PHE 47 -13.494 16.184 -15.684 397 HE2 PHE 47 HE1 PHE 47 -9.240 16.355 -15.357 398 HZ PHE 47 HZ PHE 47 -11.275 15.279 -16.251 399 H LEU 48 HN LEU 48 -10.109 18.366 -10.528 400 HA LEU 48 HA LEU 48 -10.213 15.608 -11.165 401 HB2 LEU 48 HB2 LEU 48 -8.427 17.109 -9.234 402 HB3 LEU 48 HB1 LEU 48 -8.226 15.407 -9.618 403 HG LEU 48 HG LEU 48 -7.872 17.753 -11.525 404 HD11 LEU 48 HD11 LEU 48 -5.856 15.767 -10.447 405 HD12 LEU 48 HD12 LEU 48 -6.025 17.454 -9.958 406 HD13 LEU 48 HD13 LEU 48 -5.530 17.065 -11.603 407 HD21 LEU 48 HD21 LEU 48 -7.617 14.795 -12.164 408 HD22 LEU 48 HD22 LEU 48 -7.186 16.133 -13.234 409 HD23 LEU 48 HD23 LEU 48 -8.865 15.891 -12.768 410 H VAL 49 HN VAL 49 -10.947 17.407 -8.172 411 HA VAL 49 HA VAL 49 -11.466 15.119 -6.539 412 HB VAL 49 HB VAL 49 -12.604 17.942 -6.201 413 HG11 VAL 49 HG11 VAL 49 -13.835 16.266 -4.872 414 HG12 VAL 49 HG12 VAL 49 -12.900 17.322 -3.816 415 HG13 VAL 49 HG13 VAL 49 -12.321 15.688 -4.162 416 HG21 VAL 49 HG21 VAL 49 -10.083 16.745 -4.973 417 HG22 VAL 49 HG22 VAL 49 -10.741 18.346 -4.622 418 HG23 VAL 49 HG23 VAL 49 -10.133 17.977 -6.233 419 H ASP 50 HN ASP 50 -13.425 17.157 -8.658 420 HA ASP 50 HA ASP 50 -16.003 16.104 -8.189 421 HB2 ASP 50 HB2 ASP 50 -15.472 18.205 -9.466 422 HB3 ASP 50 HB1 ASP 50 -14.857 17.231 -10.787 423 H ALA 51 HN ALA 51 -13.403 15.157 -10.371 424 HA ALA 51 HA ALA 51 -14.865 12.952 -11.596 425 HB1 ALA 51 HB1 ALA 51 -12.001 13.887 -11.976 426 HB2 ALA 51 HB2 ALA 51 -13.378 14.374 -12.962 427 HB3 ALA 51 HB3 ALA 51 -12.837 12.693 -12.976 428 H LYS 52 HN LYS 52 -13.372 13.341 -8.692 429 HA LYS 52 HA LYS 52 -12.737 12.014 -6.995 430 HB2 LYS 52 HB2 LYS 52 -13.665 9.647 -8.669 431 HB3 LYS 52 HB1 LYS 52 -13.468 9.682 -6.918 432 HG2 LYS 52 HG2 LYS 52 -15.540 11.191 -8.549 433 HG3 LYS 52 HG1 LYS 52 -15.832 9.808 -7.492 434 HD2 LYS 52 HD2 LYS 52 -15.252 11.147 -5.523 435 HD3 LYS 52 HD1 LYS 52 -14.804 12.514 -6.545 436 HE2 LYS 52 HE2 LYS 52 -17.152 12.685 -7.325 437 HE3 LYS 52 HE1 LYS 52 -17.594 11.344 -6.263 438 HZ1 LYS 52 HZ1 LYS 52 -16.918 12.680 -4.367 439 HZ2 LYS 52 HZ2 LYS 52 -18.110 13.475 -5.265 440 HZ3 LYS 52 HZ3 LYS 52 -16.494 13.960 -5.386 441 H GLN 53 HN GLN 53 -10.974 12.498 -9.397 442 HA GLN 53 HA GLN 53 -8.951 10.544 -9.586 443 HB2 GLN 53 HB2 GLN 53 -8.833 13.567 -9.962 444 HB3 GLN 53 HB1 GLN 53 -7.569 12.454 -10.467 445 HG2 GLN 53 HG2 GLN 53 -10.408 12.441 -11.535 446 HG3 GLN 53 HG1 GLN 53 -9.038 13.222 -12.324 447 HE21 GLN 53 HE21 GLN 53 -10.768 11.051 -13.288 448 HE22 GLN 53 HE22 GLN 53 -9.711 9.741 -13.671 449 H ILE 54 HN ILE 54 -9.283 13.444 -7.545 450 HA ILE 54 HA ILE 54 -7.294 12.345 -5.632 451 HB ILE 54 HB ILE 54 -6.611 14.692 -5.041 452 HG12 ILE 54 HG12 ILE 54 -8.207 15.467 -7.530 453 HG13 ILE 54 HG11 ILE 54 -8.621 15.886 -5.874 454 HG21 ILE 54 HG21 ILE 54 -5.125 15.061 -6.969 455 HG22 ILE 54 HG22 ILE 54 -6.090 13.939 -7.932 456 HG23 ILE 54 HG23 ILE 54 -5.200 13.355 -6.525 457 HD11 ILE 54 HD11 ILE 54 -7.668 17.766 -7.056 458 HD12 ILE 54 HD12 ILE 54 -6.198 16.851 -7.384 459 HD13 ILE 54 HD13 ILE 54 -6.622 17.278 -5.723 460 H ALA 55 HN ALA 55 -7.564 13.133 -3.468 461 HA ALA 55 HA ALA 55 -10.282 13.260 -2.527 462 HB1 ALA 55 HB1 ALA 55 -8.585 11.951 -1.299 463 HB2 ALA 55 HB2 ALA 55 -9.213 13.243 -0.277 464 HB3 ALA 55 HB3 ALA 55 -7.623 13.406 -1.028 465 HA PRO 56 HA PRO 56 -10.398 17.771 -2.254 466 HB2 PRO 56 HB2 PRO 56 -12.199 18.147 -0.224 467 HB3 PRO 56 HB1 PRO 56 -12.678 17.592 -1.834 468 HG2 PRO 56 HG2 PRO 56 -12.173 15.955 0.654 469 HG3 PRO 56 HG1 PRO 56 -13.538 15.866 -0.482 470 HD2 PRO 56 HD2 PRO 56 -11.465 14.132 -0.618 471 HD3 PRO 56 HD1 PRO 56 -12.294 14.700 -2.087 472 H LEU 57 HN LEU 57 -9.522 19.415 -1.060 473 HA LEU 57 HA LEU 57 -8.094 18.860 1.435 474 HB2 LEU 57 HB2 LEU 57 -8.081 21.191 -0.514 475 HB3 LEU 57 HB1 LEU 57 -7.179 21.207 0.995 476 HG LEU 57 HG LEU 57 -6.735 19.133 -1.192 477 HD11 LEU 57 HD11 LEU 57 -5.195 21.698 -0.719 478 HD12 LEU 57 HD12 LEU 57 -6.212 21.319 -2.108 479 HD13 LEU 57 HD13 LEU 57 -4.730 20.409 -1.836 480 HD21 LEU 57 HD21 LEU 57 -6.007 18.424 1.059 481 HD22 LEU 57 HD22 LEU 57 -5.025 19.883 1.212 482 HD23 LEU 57 HD23 LEU 57 -4.628 18.673 -0.010 483 HA PRO 58 HA PRO 58 -11.230 21.045 3.844 484 HB2 PRO 58 HB2 PRO 58 -9.694 22.232 5.800 485 HB3 PRO 58 HB1 PRO 58 -10.091 20.507 5.791 486 HG2 PRO 58 HG2 PRO 58 -7.582 21.880 4.849 487 HG3 PRO 58 HG1 PRO 58 -7.751 20.409 5.832 488 HD2 PRO 58 HD2 PRO 58 -7.231 20.293 3.172 489 HD3 PRO 58 HD1 PRO 58 -8.245 19.074 3.976 490 H ASP 59 HN ASP 59 -12.134 23.076 3.972 491 HA ASP 59 HA ASP 59 -11.526 25.000 2.050 492 HB2 ASP 59 HB2 ASP 59 -13.769 24.629 3.155 493 HB3 ASP 59 HB1 ASP 59 -13.161 25.417 4.600 494 H SER 60 HN SER 60 -10.603 24.829 5.456 495 HA SER 60 HA SER 60 -9.525 27.376 5.897 496 HB2 SER 60 HB2 SER 60 -8.556 24.729 7.072 497 HB3 SER 60 HB1 SER 60 -8.302 26.335 7.763 498 HG SER 60 HG SER 60 -10.203 26.187 8.635 499 H LYS 61 HN LYS 61 -8.076 24.515 4.350 500 HA LYS 61 HA LYS 61 -5.559 25.880 3.831 501 HB2 LYS 61 HB2 LYS 61 -6.611 23.209 2.810 502 HB3 LYS 61 HB1 LYS 61 -5.009 23.840 2.454 503 HG2 LYS 61 HG2 LYS 61 -5.946 23.294 5.287 504 HG3 LYS 61 HG1 LYS 61 -5.225 22.046 4.279 505 HD2 LYS 61 HD2 LYS 61 -3.441 22.832 5.610 506 HD3 LYS 61 HD1 LYS 61 -3.191 23.602 4.047 507 HE2 LYS 61 HE2 LYS 61 -4.139 25.698 4.926 508 HE3 LYS 61 HE1 LYS 61 -4.434 24.923 6.483 509 HZ1 LYS 61 HZ1 LYS 61 -2.041 24.598 6.711 510 HZ2 LYS 61 HZ2 LYS 61 -2.420 26.230 6.509 511 HZ3 LYS 61 HZ3 LYS 61 -1.782 25.352 5.219 512 H LEU 62 HN LEU 62 -7.144 24.143 1.203 513 HA LEU 62 HA LEU 62 -7.355 24.673 -0.974 514 HB2 LEU 62 HB2 LEU 62 -9.190 26.351 0.598 515 HB3 LEU 62 HB1 LEU 62 -8.874 27.048 -0.972 516 HG LEU 62 HG LEU 62 -10.936 25.564 -0.831 517 HD11 LEU 62 HD11 LEU 62 -8.832 24.727 -2.853 518 HD12 LEU 62 HD12 LEU 62 -9.905 26.123 -2.991 519 HD13 LEU 62 HD13 LEU 62 -10.578 24.496 -2.999 520 HD21 LEU 62 HD21 LEU 62 -8.888 23.326 -0.662 521 HD22 LEU 62 HD22 LEU 62 -10.631 23.132 -0.889 522 HD23 LEU 62 HD23 LEU 62 -10.012 23.802 0.618 523 H ASP 63 HN ASP 63 -5.009 25.830 0.324 524 HA ASP 63 HA ASP 63 -4.457 28.376 -0.997 525 HB2 ASP 63 HB2 ASP 63 -3.790 28.252 1.314 526 HB3 ASP 63 HB1 ASP 63 -3.053 26.674 1.104 527 H GLY 64 HN GLY 64 -2.605 28.633 -2.345 528 HA2 GLY 64 HA2 GLY 64 -2.423 27.065 -4.559 529 HA3 GLY 64 HA1 GLY 64 -1.145 28.141 -4.029 530 H ALA 65 HN ALA 65 -0.081 26.955 -1.843 531 HA ALA 65 HA ALA 65 1.690 25.030 -2.849 532 HB1 ALA 65 HB1 ALA 65 0.962 25.513 0.068 533 HB2 ALA 65 HB2 ALA 65 2.149 26.428 -0.862 534 HB3 ALA 65 HB3 ALA 65 2.423 24.721 -0.520 535 H ASN 66 HN ASN 66 -1.242 24.581 -0.901 536 HA ASN 66 HA ASN 66 -0.996 21.755 -0.499 537 HB2 ASN 66 HB2 ASN 66 -3.448 23.566 -0.245 538 HB3 ASN 66 HB1 ASN 66 -3.345 21.906 0.345 539 HD21 ASN 66 HD21 ASN 66 -2.160 25.180 0.819 540 HD22 ASN 66 HD22 ASN 66 -1.583 24.939 2.428 541 H ILE 67 HN ILE 67 -2.766 23.777 -2.796 542 HA ILE 67 HA ILE 67 -4.317 21.779 -4.076 543 HB ILE 67 HB ILE 67 -3.329 24.463 -5.162 544 HG12 ILE 67 HG12 ILE 67 -4.706 24.717 -3.094 545 HG13 ILE 67 HG11 ILE 67 -5.518 25.399 -4.491 546 HG21 ILE 67 HG21 ILE 67 -4.033 23.004 -6.986 547 HG22 ILE 67 HG22 ILE 67 -5.181 24.326 -6.783 548 HG23 ILE 67 HG23 ILE 67 -5.578 22.713 -6.189 549 HD11 ILE 67 HD11 ILE 67 -7.057 24.231 -3.053 550 HD12 ILE 67 HD12 ILE 67 -6.126 22.745 -3.222 551 HD13 ILE 67 HD13 ILE 67 -6.948 23.435 -4.623 552 H LYS 68 HN LYS 68 -1.229 23.298 -4.869 553 HA LYS 68 HA LYS 68 -0.579 22.048 -7.275 554 HB2 LYS 68 HB2 LYS 68 1.149 23.212 -5.060 555 HB3 LYS 68 HB1 LYS 68 1.822 22.657 -6.589 556 HG2 LYS 68 HG2 LYS 68 0.569 24.326 -7.822 557 HG3 LYS 68 HG1 LYS 68 -0.295 24.815 -6.361 558 HD2 LYS 68 HD2 LYS 68 1.881 25.537 -5.364 559 HD3 LYS 68 HD1 LYS 68 2.683 25.137 -6.887 560 HE2 LYS 68 HE2 LYS 68 1.298 26.825 -8.048 561 HE3 LYS 68 HE1 LYS 68 0.492 27.213 -6.525 562 HZ1 LYS 68 HZ1 LYS 68 2.644 27.886 -5.633 563 HZ2 LYS 68 HZ2 LYS 68 2.220 28.798 -6.991 564 HZ3 LYS 68 HZ3 LYS 68 3.376 27.569 -7.124 565 H HIS 69 HN HIS 69 -0.063 21.046 -3.950 566 HA HIS 69 HA HIS 69 1.704 18.886 -4.421 567 HB2 HIS 69 HB2 HIS 69 1.323 20.100 -2.229 568 HB3 HIS 69 HB1 HIS 69 -0.194 19.227 -2.068 569 HD1 HIS 69 HD1 HIS 69 -0.058 16.973 -0.974 570 HD2 HIS 69 HD2 HIS 69 3.668 18.336 -2.223 571 HE1 HIS 69 HE1 HIS 69 1.611 15.332 -0.055 572 HE2 HIS 69 HE2 HIS 69 3.831 16.089 -0.958 573 H ARG 70 HN ARG 70 -1.840 19.072 -4.036 574 HA ARG 70 HA ARG 70 -2.510 16.352 -4.307 575 HB2 ARG 70 HB2 ARG 70 -4.012 18.891 -5.023 576 HB3 ARG 70 HB1 ARG 70 -4.700 17.315 -5.368 577 HG2 ARG 70 HG2 ARG 70 -3.970 18.358 -2.623 578 HG3 ARG 70 HG1 ARG 70 -5.595 18.249 -3.299 579 HD2 ARG 70 HD2 ARG 70 -5.052 15.694 -3.557 580 HD3 ARG 70 HD1 ARG 70 -3.768 16.017 -2.385 581 HE ARG 70 HE ARG 70 -6.622 16.632 -1.851 582 HH11 ARG 70 HH11 ARG 70 -3.589 15.268 -0.728 583 HH12 ARG 70 HH12 ARG 70 -4.263 14.735 0.779 584 HH21 ARG 70 HH21 ARG 70 -7.478 15.936 0.117 585 HH22 ARG 70 HH22 ARG 70 -6.460 15.113 1.258 586 H LEU 71 HN LEU 71 -2.216 18.892 -6.779 587 HA LEU 71 HA LEU 71 -2.807 17.336 -9.056 588 HB2 LEU 71 HB2 LEU 71 -1.009 19.787 -8.914 589 HB3 LEU 71 HB1 LEU 71 -1.785 19.152 -10.354 590 HG LEU 71 HG LEU 71 -3.091 20.573 -8.018 591 HD11 LEU 71 HD11 LEU 71 -3.821 22.176 -9.697 592 HD12 LEU 71 HD12 LEU 71 -3.036 21.240 -10.972 593 HD13 LEU 71 HD13 LEU 71 -2.066 22.010 -9.713 594 HD21 LEU 71 HD21 LEU 71 -4.520 19.150 -10.281 595 HD22 LEU 71 HD22 LEU 71 -5.272 20.236 -9.111 596 HD23 LEU 71 HD23 LEU 71 -4.564 18.720 -8.568 597 H ALA 72 HN ALA 72 0.189 17.969 -7.340 598 HA ALA 72 HA ALA 72 2.061 17.086 -9.236 599 HB1 ALA 72 HB1 ALA 72 2.665 18.490 -7.314 600 HB2 ALA 72 HB2 ALA 72 3.659 17.033 -7.378 601 HB3 ALA 72 HB3 ALA 72 2.330 17.147 -6.217 602 H LEU 73 HN LEU 73 0.889 15.396 -6.287 603 HA LEU 73 HA LEU 73 2.182 12.943 -6.982 604 HB2 LEU 73 HB2 LEU 73 0.131 13.575 -4.852 605 HB3 LEU 73 HB1 LEU 73 0.752 11.951 -5.113 606 HG LEU 73 HG LEU 73 3.117 13.009 -4.795 607 HD11 LEU 73 HD11 LEU 73 1.464 15.189 -3.500 608 HD12 LEU 73 HD12 LEU 73 2.500 15.353 -4.923 609 HD13 LEU 73 HD13 LEU 73 3.218 14.991 -3.355 610 HD21 LEU 73 HD21 LEU 73 2.137 11.453 -3.210 611 HD22 LEU 73 HD22 LEU 73 1.253 12.765 -2.427 612 HD23 LEU 73 HD23 LEU 73 3.019 12.729 -2.371 613 H TRP 74 HN TRP 74 -0.978 14.277 -7.677 614 HA TRP 74 HA TRP 74 -2.328 11.957 -8.491 615 HB2 TRP 74 HB2 TRP 74 -3.559 14.044 -8.314 616 HB3 TRP 74 HB1 TRP 74 -2.545 14.819 -9.526 617 HD1 TRP 74 HD1 TRP 74 -5.121 11.910 -9.306 618 HE1 TRP 74 HE1 TRP 74 -6.270 11.689 -11.592 619 HE3 TRP 74 HE3 TRP 74 -2.540 15.496 -11.879 620 HZ2 TRP 74 HZ2 TRP 74 -6.124 12.869 -14.126 621 HZ3 TRP 74 HZ3 TRP 74 -3.113 15.898 -14.239 622 HH2 TRP 74 HH2 TRP 74 -4.873 14.607 -15.338 623 H ILE 75 HN ILE 75 -0.584 14.308 -10.583 624 HA ILE 75 HA ILE 75 -0.717 12.672 -12.910 625 HB ILE 75 HB ILE 75 -0.521 15.175 -12.983 626 HG12 ILE 75 HG12 ILE 75 0.954 15.282 -14.971 627 HG13 ILE 75 HG11 ILE 75 1.681 13.737 -14.552 628 HG21 ILE 75 HG21 ILE 75 2.384 14.710 -12.225 629 HG22 ILE 75 HG22 ILE 75 1.161 15.513 -11.241 630 HG23 ILE 75 HG23 ILE 75 1.693 16.247 -12.752 631 HD11 ILE 75 HD11 ILE 75 0.075 13.542 -16.375 632 HD12 ILE 75 HD12 ILE 75 -1.205 14.174 -15.342 633 HD13 ILE 75 HD13 ILE 75 -0.454 12.620 -14.970 634 H HIS 76 HN HIS 76 1.537 12.945 -10.285 635 HA HIS 76 HA HIS 76 3.793 11.647 -11.405 636 HB2 HIS 76 HB2 HIS 76 3.688 13.024 -9.252 637 HB3 HIS 76 HB1 HIS 76 2.950 11.631 -8.476 638 HD1 HIS 76 HD1 HIS 76 4.739 10.852 -6.938 639 HD2 HIS 76 HD2 HIS 76 6.193 11.658 -10.743 640 HE1 HIS 76 HE1 HIS 76 7.149 10.187 -6.893 641 HE2 HIS 76 HE2 HIS 76 8.035 10.752 -9.180 642 H ALA 77 HN ALA 77 0.923 10.464 -9.673 643 HA ALA 77 HA ALA 77 1.682 7.653 -9.983 644 HB1 ALA 77 HB1 ALA 77 0.596 8.406 -7.909 645 HB2 ALA 77 HB2 ALA 77 -0.356 7.171 -8.730 646 HB3 ALA 77 HB3 ALA 77 -0.839 8.867 -8.822 647 H ALA 78 HN ALA 78 -0.026 10.000 -11.824 648 HA ALA 78 HA ALA 78 -1.656 8.152 -13.332 649 HB1 ALA 78 HB1 ALA 78 -2.296 10.531 -13.170 650 HB2 ALA 78 HB2 ALA 78 -2.069 10.046 -14.853 651 HB3 ALA 78 HB3 ALA 78 -0.826 10.990 -14.029 652 H LEU 79 HN LEU 79 1.552 9.591 -13.600 653 HA LEU 79 HA LEU 79 2.296 8.381 -16.076 654 HB2 LEU 79 HB2 LEU 79 4.016 9.420 -13.787 655 HB3 LEU 79 HB1 LEU 79 4.648 8.919 -15.348 656 HG LEU 79 HG LEU 79 2.816 11.298 -14.834 657 HD11 LEU 79 HD11 LEU 79 5.722 11.241 -15.696 658 HD12 LEU 79 HD12 LEU 79 5.119 11.713 -14.108 659 HD13 LEU 79 HD13 LEU 79 4.723 12.686 -15.522 660 HD21 LEU 79 HD21 LEU 79 3.106 11.851 -17.229 661 HD22 LEU 79 HD22 LEU 79 2.249 10.330 -16.998 662 HD23 LEU 79 HD23 LEU 79 3.949 10.321 -17.476 663 HA PRO 80 HA PRO 80 2.501 4.159 -14.361 664 HB2 PRO 80 HB2 PRO 80 3.769 2.973 -16.539 665 HB3 PRO 80 HB1 PRO 80 2.034 3.308 -16.462 666 HG2 PRO 80 HG2 PRO 80 4.220 4.943 -17.757 667 HG3 PRO 80 HG1 PRO 80 2.616 4.505 -18.396 668 HD2 PRO 80 HD2 PRO 80 3.057 6.937 -17.355 669 HD3 PRO 80 HD1 PRO 80 1.515 6.100 -17.071 670 H ASP 81 HN ASP 81 5.273 5.777 -15.785 671 HA ASP 81 HA ASP 81 7.342 4.176 -14.596 672 HB2 ASP 81 HB2 ASP 81 7.639 5.383 -16.742 673 HB3 ASP 81 HB1 ASP 81 7.399 6.923 -15.928 674 H ASN 82 HN ASN 82 5.390 6.815 -13.572 675 HA ASN 82 HA ASN 82 5.284 8.253 -11.844 676 HB2 ASN 82 HB2 ASN 82 7.251 6.385 -10.452 677 HB3 ASN 82 HB1 ASN 82 6.283 7.629 -9.665 678 HD21 ASN 82 HD21 ASN 82 3.836 7.123 -11.108 679 HD22 ASN 82 HD22 ASN 82 3.229 5.625 -10.532 680 H ASP 83 HN ASP 83 6.835 8.940 -13.889 681 HA ASP 83 HA ASP 83 9.523 9.555 -13.468 682 HB2 ASP 83 HB2 ASP 83 8.121 9.536 -15.660 683 HB3 ASP 83 HB1 ASP 83 7.654 11.175 -15.247 684 HA PRO 84 HA PRO 84 9.104 13.061 -10.590 685 HB2 PRO 84 HB2 PRO 84 11.670 13.952 -10.581 686 HB3 PRO 84 HB1 PRO 84 11.222 12.402 -9.860 687 HG2 PRO 84 HG2 PRO 84 12.368 12.933 -12.605 688 HG3 PRO 84 HG1 PRO 84 12.909 11.759 -11.381 689 HD2 PRO 84 HD2 PRO 84 11.311 11.025 -13.437 690 HD3 PRO 84 HD1 PRO 84 11.151 10.286 -11.829 691 H LEU 85 HN LEU 85 9.385 13.334 -13.878 692 HA LEU 85 HA LEU 85 9.480 14.871 -15.476 693 HB2 LEU 85 HB2 LEU 85 8.192 16.594 -13.346 694 HB3 LEU 85 HB1 LEU 85 8.492 17.169 -14.975 695 HG LEU 85 HG LEU 85 7.106 15.180 -15.804 696 HD11 LEU 85 HD11 LEU 85 6.281 15.046 -12.910 697 HD12 LEU 85 HD12 LEU 85 7.071 13.789 -13.851 698 HD13 LEU 85 HD13 LEU 85 5.421 14.270 -14.240 699 HD21 LEU 85 HD21 LEU 85 5.698 17.336 -14.221 700 HD22 LEU 85 HD22 LEU 85 4.989 16.350 -15.503 701 HD23 LEU 85 HD23 LEU 85 6.298 17.463 -15.876 702 H LYS 86 HN LYS 86 11.784 14.315 -14.698 703 HA LYS 86 HA LYS 86 13.449 16.530 -13.907 704 HB2 LYS 86 HB2 LYS 86 14.039 14.193 -13.391 705 HB3 LYS 86 HB1 LYS 86 14.101 13.787 -15.096 706 HG2 LYS 86 HG2 LYS 86 15.965 15.874 -13.946 707 HG3 LYS 86 HG1 LYS 86 16.322 14.155 -13.763 708 HD2 LYS 86 HD2 LYS 86 16.340 13.881 -16.206 709 HD3 LYS 86 HD1 LYS 86 15.895 15.573 -16.419 710 HE2 LYS 86 HE2 LYS 86 18.047 16.227 -15.331 711 HE3 LYS 86 HE1 LYS 86 18.502 14.518 -15.284 712 HZ1 LYS 86 HZ1 LYS 86 18.404 14.437 -17.672 713 HZ2 LYS 86 HZ2 LYS 86 19.410 15.720 -17.219 714 HZ3 LYS 86 HZ3 LYS 86 17.836 16.028 -17.758 Start of MODEL 17 1 H MET 1 HT1 MET 1 8.097 3.272 3.198 2 HA MET 1 HA MET 1 9.550 3.424 1.273 3 HB2 MET 1 HB2 MET 1 7.989 1.496 1.518 4 HB3 MET 1 HB1 MET 1 6.728 2.394 0.689 5 HG2 MET 1 HG2 MET 1 8.102 2.385 -1.376 6 HG3 MET 1 HG1 MET 1 9.335 1.444 -0.538 7 HE1 MET 1 HE1 MET 1 7.516 -1.985 0.038 8 HE2 MET 1 HE2 MET 1 7.656 -0.648 1.177 9 HE3 MET 1 HE3 MET 1 9.035 -1.100 0.175 10 H SER 2 HN SER 2 9.970 4.255 -0.809 11 HA SER 2 HA SER 2 8.764 6.610 -1.768 12 HB2 SER 2 HB2 SER 2 10.336 4.529 -3.365 13 HB3 SER 2 HB1 SER 2 10.084 6.217 -3.817 14 HG SER 2 HG SER 2 12.145 5.693 -2.769 15 H LYS 3 HN LYS 3 6.601 6.579 -2.109 16 HA LYS 3 HA LYS 3 4.987 4.390 -2.800 17 HB2 LYS 3 HB2 LYS 3 4.424 7.373 -3.096 18 HB3 LYS 3 HB1 LYS 3 3.195 6.112 -3.179 19 HG2 LYS 3 HG2 LYS 3 3.696 5.487 -0.831 20 HG3 LYS 3 HG1 LYS 3 4.902 6.773 -0.759 21 HD2 LYS 3 HD2 LYS 3 3.118 8.456 -1.175 22 HD3 LYS 3 HD1 LYS 3 1.919 7.161 -1.223 23 HE2 LYS 3 HE2 LYS 3 2.435 6.602 1.129 24 HE3 LYS 3 HE1 LYS 3 3.637 7.894 1.175 25 HZ1 LYS 3 HZ1 LYS 3 1.577 8.608 2.161 26 HZ2 LYS 3 HZ2 LYS 3 0.718 8.222 0.756 27 HZ3 LYS 3 HZ3 LYS 3 1.849 9.480 0.734 28 H THR 4 HN THR 4 6.388 6.924 -4.780 29 HA THR 4 HA THR 4 5.583 5.529 -7.264 30 HB THR 4 HB THR 4 5.870 7.887 -8.314 31 HG1 THR 4 HG1 THR 4 5.386 8.831 -5.688 32 HG21 THR 4 HG21 THR 4 3.601 8.650 -7.692 33 HG22 THR 4 HG22 THR 4 3.583 7.521 -6.336 34 HG23 THR 4 HG23 THR 4 3.618 6.910 -7.991 35 H ALA 5 HN ALA 5 7.970 8.011 -6.270 36 HA ALA 5 HA ALA 5 10.288 6.403 -6.559 37 HB1 ALA 5 HB1 ALA 5 11.274 7.396 -8.595 38 HB2 ALA 5 HB2 ALA 5 9.798 8.321 -8.883 39 HB3 ALA 5 HB3 ALA 5 9.770 6.560 -8.983 40 H LYS 6 HN LYS 6 9.918 9.778 -7.634 41 HA LYS 6 HA LYS 6 10.498 10.998 -5.130 42 HB2 LYS 6 HB2 LYS 6 12.745 12.053 -5.966 43 HB3 LYS 6 HB1 LYS 6 12.763 10.439 -5.291 44 HG2 LYS 6 HG2 LYS 6 14.218 10.397 -7.153 45 HG3 LYS 6 HG1 LYS 6 12.767 9.518 -7.633 46 HD2 LYS 6 HD2 LYS 6 11.999 11.463 -8.934 47 HD3 LYS 6 HD1 LYS 6 13.398 12.397 -8.394 48 HE2 LYS 6 HE2 LYS 6 13.491 9.877 -10.087 49 HE3 LYS 6 HE1 LYS 6 13.732 11.521 -10.673 50 HZ1 LYS 6 HZ1 LYS 6 15.454 10.064 -8.746 51 HZ2 LYS 6 HZ2 LYS 6 15.670 11.682 -9.196 52 HZ3 LYS 6 HZ3 LYS 6 15.833 10.453 -10.347 53 H LEU 7 HN LEU 7 10.352 13.254 -5.194 54 HA LEU 7 HA LEU 7 9.300 14.448 -7.690 55 HB2 LEU 7 HB2 LEU 7 7.510 13.442 -6.125 56 HB3 LEU 7 HB1 LEU 7 7.926 14.695 -4.974 57 HG LEU 7 HG LEU 7 6.936 15.356 -7.779 58 HD11 LEU 7 HD11 LEU 7 5.207 14.995 -5.305 59 HD12 LEU 7 HD12 LEU 7 5.221 13.944 -6.724 60 HD13 LEU 7 HD13 LEU 7 4.664 15.608 -6.872 61 HD21 LEU 7 HD21 LEU 7 6.271 17.501 -6.769 62 HD22 LEU 7 HD22 LEU 7 7.999 17.218 -6.583 63 HD23 LEU 7 HD23 LEU 7 6.916 16.977 -5.210 64 H ASN 8 HN ASN 8 10.724 16.033 -8.054 65 HA ASN 8 HA ASN 8 11.759 17.681 -5.806 66 HB2 ASN 8 HB2 ASN 8 13.081 17.064 -8.483 67 HB3 ASN 8 HB1 ASN 8 13.750 18.124 -7.248 68 HD21 ASN 8 HD21 ASN 8 14.877 15.705 -8.403 69 HD22 ASN 8 HD22 ASN 8 15.188 14.641 -7.081 70 H ASN 9 HN ASN 9 10.970 17.848 -9.295 71 HA ASN 9 HA ASN 9 10.604 20.771 -9.195 72 HB2 ASN 9 HB2 ASN 9 10.576 18.811 -11.541 73 HB3 ASN 9 HB1 ASN 9 10.376 20.553 -11.691 74 HD21 ASN 9 HD21 ASN 9 12.642 17.958 -11.175 75 HD22 ASN 9 HD22 ASN 9 14.074 18.917 -11.312 76 H GLU 10 HN GLU 10 8.726 20.334 -7.695 77 HA GLU 10 HA GLU 10 6.392 18.978 -8.349 78 HB2 GLU 10 HB2 GLU 10 6.893 19.915 -6.071 79 HB3 GLU 10 HB1 GLU 10 6.542 21.533 -6.680 80 HG2 GLU 10 HG2 GLU 10 4.216 20.904 -7.124 81 HG3 GLU 10 HG1 GLU 10 4.545 19.244 -6.645 82 H GLU 11 HN GLU 11 7.359 22.260 -9.176 83 HA GLU 11 HA GLU 11 4.995 23.351 -10.098 84 HB2 GLU 11 HB2 GLU 11 7.181 24.557 -9.786 85 HB3 GLU 11 HB1 GLU 11 7.758 23.831 -11.281 86 HG2 GLU 11 HG2 GLU 11 5.950 24.952 -12.545 87 HG3 GLU 11 HG1 GLU 11 5.355 25.680 -11.053 88 H LYS 12 HN LYS 12 7.257 21.246 -11.823 89 HA LYS 12 HA LYS 12 6.087 21.556 -14.419 90 HB2 LYS 12 HB2 LYS 12 7.876 19.299 -13.443 91 HB3 LYS 12 HB1 LYS 12 7.570 19.748 -15.121 92 HG2 LYS 12 HG2 LYS 12 8.617 22.020 -14.559 93 HG3 LYS 12 HG1 LYS 12 9.117 21.305 -13.028 94 HD2 LYS 12 HD2 LYS 12 10.992 21.163 -14.528 95 HD3 LYS 12 HD1 LYS 12 10.350 19.530 -14.340 96 HE2 LYS 12 HE2 LYS 12 9.183 19.730 -16.498 97 HE3 LYS 12 HE1 LYS 12 9.779 21.382 -16.678 98 HZ1 LYS 12 HZ1 LYS 12 12.041 20.489 -16.691 99 HZ2 LYS 12 HZ2 LYS 12 11.104 19.868 -17.952 100 HZ3 LYS 12 HZ3 LYS 12 11.427 18.915 -16.593 101 H LEU 13 HN LEU 13 5.642 19.315 -11.751 102 HA LEU 13 HA LEU 13 3.914 17.473 -13.094 103 HB2 LEU 13 HB2 LEU 13 4.384 18.057 -10.156 104 HB3 LEU 13 HB1 LEU 13 3.213 16.867 -10.708 105 HG LEU 13 HG LEU 13 5.236 15.825 -12.016 106 HD11 LEU 13 HD11 LEU 13 6.863 17.590 -11.640 107 HD12 LEU 13 HD12 LEU 13 7.415 16.056 -10.972 108 HD13 LEU 13 HD13 LEU 13 6.789 17.313 -9.896 109 HD21 LEU 13 HD21 LEU 13 5.010 15.527 -9.023 110 HD22 LEU 13 HD22 LEU 13 5.805 14.396 -10.122 111 HD23 LEU 13 HD23 LEU 13 4.071 14.673 -10.249 112 H VAL 14 HN VAL 14 3.425 20.408 -11.219 113 HA VAL 14 HA VAL 14 0.600 20.442 -11.115 114 HB VAL 14 HB VAL 14 2.578 22.773 -11.121 115 HG11 VAL 14 HG11 VAL 14 0.767 24.114 -10.053 116 HG12 VAL 14 HG12 VAL 14 -0.355 22.768 -10.278 117 HG13 VAL 14 HG13 VAL 14 0.318 23.597 -11.682 118 HG21 VAL 14 HG21 VAL 14 1.277 21.308 -8.799 119 HG22 VAL 14 HG22 VAL 14 2.358 22.698 -8.669 120 HG23 VAL 14 HG23 VAL 14 2.963 21.169 -9.299 121 H LYS 15 HN LYS 15 2.907 21.912 -13.391 122 HA LYS 15 HA LYS 15 1.088 23.078 -15.179 123 HB2 LYS 15 HB2 LYS 15 3.938 22.103 -15.614 124 HB3 LYS 15 HB1 LYS 15 3.036 23.032 -16.808 125 HG2 LYS 15 HG2 LYS 15 2.880 24.924 -15.212 126 HG3 LYS 15 HG1 LYS 15 3.786 23.989 -14.024 127 HD2 LYS 15 HD2 LYS 15 5.293 25.564 -15.118 128 HD3 LYS 15 HD1 LYS 15 5.733 23.921 -15.584 129 HE2 LYS 15 HE2 LYS 15 4.520 24.229 -17.741 130 HE3 LYS 15 HE1 LYS 15 4.125 25.882 -17.266 131 HZ1 LYS 15 HZ1 LYS 15 6.850 24.791 -17.698 132 HZ2 LYS 15 HZ2 LYS 15 6.499 26.364 -17.188 133 HZ3 LYS 15 HZ3 LYS 15 6.017 25.847 -18.722 134 H LYS 16 HN LYS 16 2.469 19.824 -15.013 135 HA LYS 16 HA LYS 16 1.441 18.905 -17.505 136 HB2 LYS 16 HB2 LYS 16 3.313 17.794 -16.195 137 HB3 LYS 16 HB1 LYS 16 2.095 17.178 -15.087 138 HG2 LYS 16 HG2 LYS 16 2.670 15.437 -16.685 139 HG3 LYS 16 HG1 LYS 16 1.010 15.961 -16.985 140 HD2 LYS 16 HD2 LYS 16 2.173 15.697 -19.117 141 HD3 LYS 16 HD1 LYS 16 1.814 17.402 -18.853 142 HE2 LYS 16 HE2 LYS 16 4.165 17.708 -18.014 143 HE3 LYS 16 HE1 LYS 16 4.501 16.035 -18.464 144 HZ1 LYS 16 HZ1 LYS 16 5.226 17.587 -20.149 145 HZ2 LYS 16 HZ2 LYS 16 3.657 18.201 -20.306 146 HZ3 LYS 16 HZ3 LYS 16 3.989 16.604 -20.753 147 H ALA 17 HN ALA 17 0.231 18.878 -14.181 148 HA ALA 17 HA ALA 17 -2.144 17.380 -14.680 149 HB1 ALA 17 HB1 ALA 17 -1.561 19.376 -12.468 150 HB2 ALA 17 HB2 ALA 17 -1.227 17.644 -12.417 151 HB3 ALA 17 HB3 ALA 17 -2.895 18.218 -12.492 152 H LEU 18 HN LEU 18 -1.264 20.776 -15.054 153 HA LEU 18 HA LEU 18 -3.889 21.780 -15.560 154 HB2 LEU 18 HB2 LEU 18 -1.251 22.872 -16.629 155 HB3 LEU 18 HB1 LEU 18 -2.787 23.728 -16.597 156 HG LEU 18 HG LEU 18 -1.094 22.938 -14.203 157 HD11 LEU 18 HD11 LEU 18 -0.832 25.319 -13.793 158 HD12 LEU 18 HD12 LEU 18 -1.785 25.695 -15.234 159 HD13 LEU 18 HD13 LEU 18 -0.226 24.882 -15.389 160 HD21 LEU 18 HD21 LEU 18 -3.800 24.298 -14.162 161 HD22 LEU 18 HD22 LEU 18 -2.730 24.073 -12.776 162 HD23 LEU 18 HD23 LEU 18 -3.429 22.672 -13.578 163 H GLU 19 HN GLU 19 -1.324 20.393 -17.620 164 HA GLU 19 HA GLU 19 -2.649 20.758 -20.104 165 HB2 GLU 19 HB2 GLU 19 -0.569 18.645 -19.392 166 HB3 GLU 19 HB1 GLU 19 -1.058 19.087 -21.024 167 HG2 GLU 19 HG2 GLU 19 0.496 20.758 -19.034 168 HG3 GLU 19 HG1 GLU 19 1.049 20.130 -20.586 169 H ILE 20 HN ILE 20 -2.282 17.793 -18.172 170 HA ILE 20 HA ILE 20 -3.994 16.161 -19.713 171 HB ILE 20 HB ILE 20 -3.220 15.725 -16.787 172 HG12 ILE 20 HG12 ILE 20 -1.142 16.065 -18.043 173 HG13 ILE 20 HG11 ILE 20 -1.292 14.357 -17.660 174 HG21 ILE 20 HG21 ILE 20 -4.052 13.735 -18.934 175 HG22 ILE 20 HG22 ILE 20 -5.014 14.238 -17.546 176 HG23 ILE 20 HG23 ILE 20 -3.534 13.317 -17.295 177 HD11 ILE 20 HD11 ILE 20 -1.854 15.644 -20.333 178 HD12 ILE 20 HD12 ILE 20 -2.038 13.928 -19.962 179 HD13 ILE 20 HD13 ILE 20 -0.445 14.678 -19.897 180 H GLY 21 HN GLY 21 -4.477 17.686 -16.510 181 HA2 GLY 21 HA2 GLY 21 -7.170 16.869 -16.152 182 HA3 GLY 21 HA1 GLY 21 -6.344 18.139 -15.263 183 H GLY 22 HN GLY 22 -5.694 19.795 -17.521 184 HA2 GLY 22 HA2 GLY 22 -8.045 21.356 -17.772 185 HA3 GLY 22 HA1 GLY 22 -6.557 21.580 -18.667 186 H LYS 23 HN LYS 23 -6.368 19.241 -20.122 187 HA LYS 23 HA LYS 23 -8.239 19.771 -22.242 188 HB2 LYS 23 HB2 LYS 23 -7.040 18.191 -23.573 189 HB3 LYS 23 HB1 LYS 23 -5.848 19.101 -22.658 190 HG2 LYS 23 HG2 LYS 23 -5.479 17.237 -21.154 191 HG3 LYS 23 HG1 LYS 23 -6.821 16.336 -21.865 192 HD2 LYS 23 HD2 LYS 23 -5.637 16.164 -23.984 193 HD3 LYS 23 HD1 LYS 23 -4.306 17.145 -23.363 194 HE2 LYS 23 HE2 LYS 23 -3.799 15.374 -21.700 195 HE3 LYS 23 HE1 LYS 23 -5.129 14.402 -22.337 196 HZ1 LYS 23 HZ1 LYS 23 -3.059 13.658 -23.258 197 HZ2 LYS 23 HZ2 LYS 23 -2.675 15.211 -23.796 198 HZ3 LYS 23 HZ3 LYS 23 -3.970 14.377 -24.491 199 H MET 24 HN MET 24 -7.905 17.260 -19.768 200 HA MET 24 HA MET 24 -9.823 15.450 -20.803 201 HB2 MET 24 HB2 MET 24 -8.754 15.879 -18.004 202 HB3 MET 24 HB1 MET 24 -10.081 14.756 -18.268 203 HG2 MET 24 HG2 MET 24 -8.544 13.604 -19.973 204 HG3 MET 24 HG1 MET 24 -7.242 14.569 -19.276 205 HE1 MET 24 HE1 MET 24 -7.033 14.631 -16.448 206 HE2 MET 24 HE2 MET 24 -7.664 13.326 -15.441 207 HE3 MET 24 HE3 MET 24 -8.771 14.500 -16.157 208 H ALA 25 HN ALA 25 -10.106 18.071 -18.375 209 HA ALA 25 HA ALA 25 -12.854 18.008 -17.905 210 HB1 ALA 25 HB1 ALA 25 -12.636 20.364 -17.202 211 HB2 ALA 25 HB2 ALA 25 -11.052 20.459 -17.976 212 HB3 ALA 25 HB3 ALA 25 -11.295 19.392 -16.592 213 H LYS 26 HN LYS 26 -11.030 19.774 -20.348 214 HA LYS 26 HA LYS 26 -13.013 21.180 -21.651 215 HB2 LYS 26 HB2 LYS 26 -10.572 21.452 -21.991 216 HB3 LYS 26 HB1 LYS 26 -10.509 19.914 -22.840 217 HG2 LYS 26 HG2 LYS 26 -11.841 20.817 -24.666 218 HG3 LYS 26 HG1 LYS 26 -12.095 22.325 -23.784 219 HD2 LYS 26 HD2 LYS 26 -10.365 22.621 -25.508 220 HD3 LYS 26 HD1 LYS 26 -9.668 22.818 -23.899 221 HE2 LYS 26 HE2 LYS 26 -8.167 21.514 -25.334 222 HE3 LYS 26 HE1 LYS 26 -8.772 20.499 -24.024 223 HZ1 LYS 26 HZ1 LYS 26 -9.825 20.546 -26.802 224 HZ2 LYS 26 HZ2 LYS 26 -10.378 19.551 -25.553 225 HZ3 LYS 26 HZ3 LYS 26 -8.810 19.361 -26.151 226 H MET 27 HN MET 27 -11.707 17.983 -22.567 227 HA MET 27 HA MET 27 -13.514 17.377 -24.649 228 HB2 MET 27 HB2 MET 27 -11.806 15.558 -22.910 229 HB3 MET 27 HB1 MET 27 -12.685 14.996 -24.326 230 HG2 MET 27 HG2 MET 27 -11.347 16.557 -25.735 231 HG3 MET 27 HG1 MET 27 -10.427 17.017 -24.303 232 HE1 MET 27 HE1 MET 27 -10.119 14.135 -22.790 233 HE2 MET 27 HE2 MET 27 -8.814 15.309 -22.970 234 HE3 MET 27 HE3 MET 27 -8.564 13.629 -23.449 235 H GLN 28 HN GLN 28 -13.693 16.757 -21.171 236 HA GLN 28 HA GLN 28 -15.952 15.005 -21.222 237 HB2 GLN 28 HB2 GLN 28 -14.780 16.703 -18.982 238 HB3 GLN 28 HB1 GLN 28 -16.130 15.596 -18.740 239 HG2 GLN 28 HG2 GLN 28 -13.339 14.817 -19.646 240 HG3 GLN 28 HG1 GLN 28 -13.970 14.609 -18.016 241 HE21 GLN 28 HE21 GLN 28 -12.936 12.622 -19.923 242 HE22 GLN 28 HE22 GLN 28 -14.192 11.455 -20.129 243 H GLY 29 HN GLY 29 -15.539 18.449 -21.349 244 HA2 GLY 29 HA2 GLY 29 -17.268 19.551 -22.710 245 HA3 GLY 29 HA1 GLY 29 -18.482 18.787 -21.693 246 H PHE 30 HN PHE 30 -15.437 20.587 -21.075 247 HA PHE 30 HA PHE 30 -16.948 22.511 -19.378 248 HB2 PHE 30 HB2 PHE 30 -14.503 20.952 -18.398 249 HB3 PHE 30 HB1 PHE 30 -15.220 22.324 -17.559 250 HD1 PHE 30 HD2 PHE 30 -17.481 22.132 -16.523 251 HD2 PHE 30 HD1 PHE 30 -15.540 18.747 -18.283 252 HE1 PHE 30 HE2 PHE 30 -19.070 20.626 -15.405 253 HE2 PHE 30 HE1 PHE 30 -17.142 17.255 -17.166 254 HZ PHE 30 HZ PHE 30 -18.907 18.195 -15.729 255 H ASP 31 HN ASP 31 -16.038 24.524 -19.141 256 HA ASP 31 HA ASP 31 -13.681 25.156 -20.835 257 HB2 ASP 31 HB2 ASP 31 -15.826 27.119 -19.894 258 HB3 ASP 31 HB1 ASP 31 -14.581 27.401 -21.105 259 H LEU 32 HN LEU 32 -12.170 24.649 -19.151 260 HA LEU 32 HA LEU 32 -12.173 26.117 -16.675 261 HB2 LEU 32 HB2 LEU 32 -9.890 24.653 -18.058 262 HB3 LEU 32 HB1 LEU 32 -9.808 25.345 -16.445 263 HG LEU 32 HG LEU 32 -11.492 22.967 -17.330 264 HD11 LEU 32 HD11 LEU 32 -9.259 23.145 -15.276 265 HD12 LEU 32 HD12 LEU 32 -9.103 22.492 -16.906 266 HD13 LEU 32 HD13 LEU 32 -10.149 21.689 -15.739 267 HD21 LEU 32 HD21 LEU 32 -12.297 22.797 -14.990 268 HD22 LEU 32 HD22 LEU 32 -12.853 24.280 -15.760 269 HD23 LEU 32 HD23 LEU 32 -11.517 24.333 -14.608 270 HA PRO 33 HA PRO 33 -11.107 29.914 -18.838 271 HB2 PRO 33 HB2 PRO 33 -10.714 31.554 -16.650 272 HB3 PRO 33 HB1 PRO 33 -12.314 31.066 -17.226 273 HG2 PRO 33 HG2 PRO 33 -10.673 29.893 -14.981 274 HG3 PRO 33 HG1 PRO 33 -12.401 30.314 -15.004 275 HD2 PRO 33 HD2 PRO 33 -11.559 27.761 -15.345 276 HD3 PRO 33 HD1 PRO 33 -12.983 28.385 -16.206 277 H GLN 34 HN GLN 34 -9.275 30.973 -19.492 278 HA GLN 34 HA GLN 34 -6.667 29.982 -18.609 279 HB2 GLN 34 HB2 GLN 34 -7.434 31.813 -20.929 280 HB3 GLN 34 HB1 GLN 34 -5.823 31.161 -20.631 281 HG2 GLN 34 HG2 GLN 34 -6.749 28.857 -20.918 282 HG3 GLN 34 HG1 GLN 34 -8.307 29.570 -21.334 283 HE21 GLN 34 HE21 GLN 34 -5.019 29.060 -22.390 284 HE22 GLN 34 HE22 GLN 34 -5.261 29.501 -24.041 285 H SER 35 HN SER 35 -8.007 31.533 -16.757 286 HA SER 35 HA SER 35 -7.144 34.276 -16.688 287 HB2 SER 35 HB2 SER 35 -8.403 32.454 -14.585 288 HB3 SER 35 HB1 SER 35 -8.246 34.203 -14.443 289 HG SER 35 HG SER 35 -9.477 33.318 -16.749 290 HA PRO 36 HA PRO 36 -3.202 35.034 -15.028 291 HB2 PRO 36 HB2 PRO 36 -4.063 34.221 -12.243 292 HB3 PRO 36 HB1 PRO 36 -2.993 35.540 -12.740 293 HG2 PRO 36 HG2 PRO 36 -5.743 35.796 -12.257 294 HG3 PRO 36 HG1 PRO 36 -4.765 36.947 -13.178 295 HD2 PRO 36 HD2 PRO 36 -6.890 35.358 -14.195 296 HD3 PRO 36 HD1 PRO 36 -5.717 36.278 -15.166 297 H GLN 37 HN GLN 37 -3.122 32.789 -12.366 298 HA GLN 37 HA GLN 37 -2.126 30.546 -13.945 299 HB2 GLN 37 HB2 GLN 37 -0.364 31.797 -11.777 300 HB3 GLN 37 HB1 GLN 37 -0.036 30.281 -12.604 301 HG2 GLN 37 HG2 GLN 37 0.229 31.505 -14.733 302 HG3 GLN 37 HG1 GLN 37 -0.099 33.022 -13.898 303 HE21 GLN 37 HE21 GLN 37 2.245 30.533 -14.491 304 HE22 GLN 37 HE22 GLN 37 3.579 31.311 -13.709 305 HA PRO 38 HA PRO 38 -2.628 28.943 -9.370 306 HB2 PRO 38 HB2 PRO 38 -3.644 30.537 -7.392 307 HB3 PRO 38 HB1 PRO 38 -1.923 30.514 -7.805 308 HG2 PRO 38 HG2 PRO 38 -4.056 32.459 -8.713 309 HG3 PRO 38 HG1 PRO 38 -2.440 32.807 -8.052 310 HD2 PRO 38 HD2 PRO 38 -2.911 32.850 -10.707 311 HD3 PRO 38 HD1 PRO 38 -1.365 32.264 -10.056 312 H VAL 39 HN VAL 39 -5.047 31.144 -10.569 313 HA VAL 39 HA VAL 39 -7.382 29.886 -9.546 314 HB VAL 39 HB VAL 39 -8.546 31.183 -11.448 315 HG11 VAL 39 HG11 VAL 39 -8.380 32.094 -9.170 316 HG12 VAL 39 HG12 VAL 39 -8.216 33.382 -10.363 317 HG13 VAL 39 HG13 VAL 39 -6.787 32.764 -9.532 318 HG21 VAL 39 HG21 VAL 39 -6.656 31.274 -13.027 319 HG22 VAL 39 HG22 VAL 39 -5.730 32.261 -11.892 320 HG23 VAL 39 HG23 VAL 39 -7.207 32.899 -12.619 321 H ARG 40 HN ARG 40 -5.449 29.381 -12.478 322 HA ARG 40 HA ARG 40 -7.219 27.481 -13.722 323 HB2 ARG 40 HB2 ARG 40 -4.247 28.021 -14.117 324 HB3 ARG 40 HB1 ARG 40 -5.166 26.869 -15.090 325 HG2 ARG 40 HG2 ARG 40 -6.626 28.710 -15.865 326 HG3 ARG 40 HG1 ARG 40 -5.669 29.858 -14.925 327 HD2 ARG 40 HD2 ARG 40 -5.043 29.838 -17.327 328 HD3 ARG 40 HD1 ARG 40 -3.693 29.368 -16.285 329 HE ARG 40 HE ARG 40 -5.137 27.079 -17.139 330 HH11 ARG 40 HH11 ARG 40 -2.927 29.453 -18.464 331 HH12 ARG 40 HH12 ARG 40 -2.204 28.329 -19.562 332 HH21 ARG 40 HH21 ARG 40 -4.166 25.623 -18.561 333 HH22 ARG 40 HH22 ARG 40 -2.914 26.165 -19.621 334 H VAL 41 HN VAL 41 -4.395 27.314 -11.641 335 HA VAL 41 HA VAL 41 -3.994 24.542 -11.476 336 HB VAL 41 HB VAL 41 -3.402 26.758 -9.441 337 HG11 VAL 41 HG11 VAL 41 -1.774 25.249 -8.389 338 HG12 VAL 41 HG12 VAL 41 -2.237 23.951 -9.492 339 HG13 VAL 41 HG13 VAL 41 -3.392 24.563 -8.315 340 HG21 VAL 41 HG21 VAL 41 -1.102 26.691 -10.361 341 HG22 VAL 41 HG22 VAL 41 -2.277 27.063 -11.622 342 HG23 VAL 41 HG23 VAL 41 -1.591 25.441 -11.511 343 H LYS 42 HN LYS 42 -6.014 26.727 -9.595 344 HA LYS 42 HA LYS 42 -7.042 24.771 -7.765 345 HB2 LYS 42 HB2 LYS 42 -6.739 27.335 -7.427 346 HB3 LYS 42 HB1 LYS 42 -8.243 27.518 -8.308 347 HG2 LYS 42 HG2 LYS 42 -8.050 25.810 -5.810 348 HG3 LYS 42 HG1 LYS 42 -8.319 27.549 -5.718 349 HD2 LYS 42 HD2 LYS 42 -10.140 25.511 -7.068 350 HD3 LYS 42 HD1 LYS 42 -10.444 26.325 -5.533 351 HE2 LYS 42 HE2 LYS 42 -10.223 27.712 -8.234 352 HE3 LYS 42 HE1 LYS 42 -11.732 27.328 -7.408 353 HZ1 LYS 42 HZ1 LYS 42 -11.061 29.620 -7.064 354 HZ2 LYS 42 HZ2 LYS 42 -9.612 29.115 -6.357 355 HZ3 LYS 42 HZ3 LYS 42 -11.082 28.766 -5.604 356 H ALA 43 HN ALA 43 -8.124 26.167 -10.844 357 HA ALA 43 HA ALA 43 -10.767 25.159 -10.918 358 HB1 ALA 43 HB1 ALA 43 -10.674 25.564 -13.346 359 HB2 ALA 43 HB2 ALA 43 -8.917 25.732 -13.262 360 HB3 ALA 43 HB3 ALA 43 -9.956 26.910 -12.458 361 H VAL 44 HN VAL 44 -7.730 23.801 -12.180 362 HA VAL 44 HA VAL 44 -8.736 21.381 -13.232 363 HB VAL 44 HB VAL 44 -5.941 22.089 -12.206 364 HG11 VAL 44 HG11 VAL 44 -6.212 19.640 -12.111 365 HG12 VAL 44 HG12 VAL 44 -5.112 20.086 -13.413 366 HG13 VAL 44 HG13 VAL 44 -6.773 19.618 -13.784 367 HG21 VAL 44 HG21 VAL 44 -7.040 21.903 -15.047 368 HG22 VAL 44 HG22 VAL 44 -5.368 22.271 -14.615 369 HG23 VAL 44 HG23 VAL 44 -6.657 23.391 -14.177 370 H TYR 45 HN TYR 45 -7.393 22.229 -10.048 371 HA TYR 45 HA TYR 45 -7.535 19.815 -8.699 372 HB2 TYR 45 HB2 TYR 45 -6.505 21.563 -7.528 373 HB3 TYR 45 HB1 TYR 45 -7.795 22.704 -7.866 374 HD1 TYR 45 HD1 TYR 45 -6.826 19.821 -5.701 375 HD2 TYR 45 HD2 TYR 45 -9.634 22.988 -6.341 376 HE1 TYR 45 HE1 TYR 45 -7.779 19.445 -3.463 377 HE2 TYR 45 HE2 TYR 45 -10.570 22.607 -4.112 378 HH TYR 45 HH TYR 45 -10.735 20.887 -2.485 379 H LEU 46 HN LEU 46 -10.148 22.257 -9.011 380 HA LEU 46 HA LEU 46 -12.146 20.975 -7.521 381 HB2 LEU 46 HB2 LEU 46 -12.410 22.860 -9.895 382 HB3 LEU 46 HB1 LEU 46 -13.774 22.348 -8.912 383 HG LEU 46 HG LEU 46 -11.402 23.981 -7.926 384 HD11 LEU 46 HD11 LEU 46 -14.274 24.813 -8.431 385 HD12 LEU 46 HD12 LEU 46 -12.861 25.290 -9.375 386 HD13 LEU 46 HD13 LEU 46 -13.018 25.820 -7.703 387 HD21 LEU 46 HD21 LEU 46 -13.892 23.105 -6.417 388 HD22 LEU 46 HD22 LEU 46 -12.665 24.225 -5.819 389 HD23 LEU 46 HD23 LEU 46 -12.240 22.545 -6.128 390 H PHE 47 HN PHE 47 -11.463 20.860 -10.997 391 HA PHE 47 HA PHE 47 -13.437 19.063 -11.829 392 HB2 PHE 47 HB2 PHE 47 -12.307 20.176 -13.581 393 HB3 PHE 47 HB1 PHE 47 -10.714 19.835 -12.915 394 HD1 PHE 47 HD2 PHE 47 -13.679 18.004 -14.393 395 HD2 PHE 47 HD1 PHE 47 -9.426 18.164 -13.938 396 HE1 PHE 47 HE2 PHE 47 -13.432 16.054 -15.879 397 HE2 PHE 47 HE1 PHE 47 -9.199 16.219 -15.411 398 HZ PHE 47 HZ PHE 47 -11.197 15.156 -16.386 399 H LEU 48 HN LEU 48 -10.131 18.378 -10.658 400 HA LEU 48 HA LEU 48 -10.207 15.592 -11.143 401 HB2 LEU 48 HB2 LEU 48 -8.399 17.212 -9.332 402 HB3 LEU 48 HB1 LEU 48 -8.175 15.499 -9.655 403 HG LEU 48 HG LEU 48 -7.980 17.742 -11.703 404 HD11 LEU 48 HD11 LEU 48 -5.827 15.938 -10.570 405 HD12 LEU 48 HD12 LEU 48 -6.067 17.642 -10.182 406 HD13 LEU 48 HD13 LEU 48 -5.613 17.173 -11.816 407 HD21 LEU 48 HD21 LEU 48 -7.587 14.759 -12.125 408 HD22 LEU 48 HD22 LEU 48 -7.265 16.025 -13.313 409 HD23 LEU 48 HD23 LEU 48 -8.913 15.738 -12.766 410 H VAL 49 HN VAL 49 -10.924 17.480 -8.186 411 HA VAL 49 HA VAL 49 -11.268 15.234 -6.456 412 HB VAL 49 HB VAL 49 -12.585 17.985 -6.178 413 HG11 VAL 49 HG11 VAL 49 -13.693 16.279 -4.788 414 HG12 VAL 49 HG12 VAL 49 -12.800 17.403 -3.767 415 HG13 VAL 49 HG13 VAL 49 -12.141 15.798 -4.097 416 HG21 VAL 49 HG21 VAL 49 -10.728 18.538 -4.627 417 HG22 VAL 49 HG22 VAL 49 -10.127 18.196 -6.249 418 HG23 VAL 49 HG23 VAL 49 -9.967 16.982 -4.979 419 H ASP 50 HN ASP 50 -13.446 17.149 -8.468 420 HA ASP 50 HA ASP 50 -15.906 15.914 -7.924 421 HB2 ASP 50 HB2 ASP 50 -15.622 18.055 -9.158 422 HB3 ASP 50 HB1 ASP 50 -14.923 17.189 -10.513 423 H ALA 51 HN ALA 51 -13.317 15.069 -10.173 424 HA ALA 51 HA ALA 51 -14.783 12.871 -11.410 425 HB1 ALA 51 HB1 ALA 51 -13.389 14.374 -12.784 426 HB2 ALA 51 HB2 ALA 51 -12.815 12.706 -12.879 427 HB3 ALA 51 HB3 ALA 51 -11.960 13.882 -11.876 428 H LYS 52 HN LYS 52 -13.421 13.077 -8.491 429 HA LYS 52 HA LYS 52 -12.640 11.669 -6.916 430 HB2 LYS 52 HB2 LYS 52 -13.541 9.544 -8.900 431 HB3 LYS 52 HB1 LYS 52 -12.971 9.158 -7.279 432 HG2 LYS 52 HG2 LYS 52 -15.364 10.929 -7.887 433 HG3 LYS 52 HG1 LYS 52 -15.464 9.213 -7.494 434 HD2 LYS 52 HD2 LYS 52 -14.328 11.362 -5.649 435 HD3 LYS 52 HD1 LYS 52 -15.956 10.691 -5.546 436 HE2 LYS 52 HE2 LYS 52 -14.990 8.444 -5.094 437 HE3 LYS 52 HE1 LYS 52 -13.367 9.137 -5.169 438 HZ1 LYS 52 HZ1 LYS 52 -14.106 8.913 -2.900 439 HZ2 LYS 52 HZ2 LYS 52 -15.481 9.844 -3.209 440 HZ3 LYS 52 HZ3 LYS 52 -13.946 10.552 -3.285 441 H GLN 53 HN GLN 53 -10.880 12.530 -9.229 442 HA GLN 53 HA GLN 53 -8.793 10.609 -9.513 443 HB2 GLN 53 HB2 GLN 53 -8.842 13.607 -10.073 444 HB3 GLN 53 HB1 GLN 53 -7.565 12.510 -10.586 445 HG2 GLN 53 HG2 GLN 53 -10.464 12.386 -11.478 446 HG3 GLN 53 HG1 GLN 53 -9.122 13.026 -12.435 447 HE21 GLN 53 HE21 GLN 53 -11.001 10.751 -12.907 448 HE22 GLN 53 HE22 GLN 53 -9.991 9.381 -13.207 449 H ILE 54 HN ILE 54 -9.289 13.476 -7.460 450 HA ILE 54 HA ILE 54 -7.211 12.498 -5.590 451 HB ILE 54 HB ILE 54 -6.618 14.892 -5.011 452 HG12 ILE 54 HG12 ILE 54 -8.153 15.538 -7.573 453 HG13 ILE 54 HG11 ILE 54 -8.594 16.039 -5.948 454 HG21 ILE 54 HG21 ILE 54 -5.057 15.224 -6.872 455 HG22 ILE 54 HG22 ILE 54 -5.951 14.053 -7.843 456 HG23 ILE 54 HG23 ILE 54 -5.119 13.532 -6.377 457 HD11 ILE 54 HD11 ILE 54 -6.158 16.936 -7.484 458 HD12 ILE 54 HD12 ILE 54 -6.585 17.439 -5.845 459 HD13 ILE 54 HD13 ILE 54 -7.628 17.868 -7.201 460 H ALA 55 HN ALA 55 -7.437 13.368 -3.424 461 HA ALA 55 HA ALA 55 -10.169 13.462 -2.462 462 HB1 ALA 55 HB1 ALA 55 -7.518 13.699 -0.964 463 HB2 ALA 55 HB2 ALA 55 -8.437 12.214 -1.210 464 HB3 ALA 55 HB3 ALA 55 -9.109 13.506 -0.217 465 HA PRO 56 HA PRO 56 -10.327 17.997 -2.162 466 HB2 PRO 56 HB2 PRO 56 -12.103 18.369 -0.119 467 HB3 PRO 56 HB1 PRO 56 -12.607 17.760 -1.702 468 HG2 PRO 56 HG2 PRO 56 -12.013 16.203 0.818 469 HG3 PRO 56 HG1 PRO 56 -13.402 16.055 -0.283 470 HD2 PRO 56 HD2 PRO 56 -11.270 14.368 -0.422 471 HD3 PRO 56 HD1 PRO 56 -12.181 14.848 -1.872 472 H LEU 57 HN LEU 57 -9.589 19.703 -0.849 473 HA LEU 57 HA LEU 57 -7.827 19.012 1.398 474 HB2 LEU 57 HB2 LEU 57 -8.092 21.488 -0.346 475 HB3 LEU 57 HB1 LEU 57 -7.036 21.420 1.056 476 HG LEU 57 HG LEU 57 -6.748 19.555 -1.330 477 HD11 LEU 57 HD11 LEU 57 -5.270 22.151 -0.808 478 HD12 LEU 57 HD12 LEU 57 -6.432 21.848 -2.101 479 HD13 LEU 57 HD13 LEU 57 -4.897 20.984 -2.082 480 HD21 LEU 57 HD21 LEU 57 -4.499 19.128 -0.429 481 HD22 LEU 57 HD22 LEU 57 -5.731 18.715 0.762 482 HD23 LEU 57 HD23 LEU 57 -4.814 20.214 0.928 483 HA PRO 58 HA PRO 58 -10.709 20.947 4.318 484 HB2 PRO 58 HB2 PRO 58 -8.902 21.930 6.176 485 HB3 PRO 58 HB1 PRO 58 -9.404 20.238 6.089 486 HG2 PRO 58 HG2 PRO 58 -6.918 21.532 4.967 487 HG3 PRO 58 HG1 PRO 58 -7.083 20.005 5.865 488 HD2 PRO 58 HD2 PRO 58 -6.854 20.024 3.177 489 HD3 PRO 58 HD1 PRO 58 -7.901 18.847 4.002 490 H ASP 59 HN ASP 59 -11.538 22.991 4.706 491 HA ASP 59 HA ASP 59 -10.817 25.134 2.970 492 HB2 ASP 59 HB2 ASP 59 -12.681 25.154 5.381 493 HB3 ASP 59 HB1 ASP 59 -12.616 26.400 4.133 494 H SER 60 HN SER 60 -9.871 24.272 6.171 495 HA SER 60 HA SER 60 -8.820 26.759 7.084 496 HB2 SER 60 HB2 SER 60 -8.070 23.904 7.859 497 HB3 SER 60 HB1 SER 60 -7.664 25.356 8.777 498 HG SER 60 HG SER 60 -9.771 25.619 9.317 499 H LYS 61 HN LYS 61 -7.644 24.294 4.887 500 HA LYS 61 HA LYS 61 -5.085 25.750 4.573 501 HB2 LYS 61 HB2 LYS 61 -5.842 22.946 3.637 502 HB3 LYS 61 HB1 LYS 61 -4.307 23.738 3.292 503 HG2 LYS 61 HG2 LYS 61 -5.356 22.987 6.034 504 HG3 LYS 61 HG1 LYS 61 -4.096 22.136 5.137 505 HD2 LYS 61 HD2 LYS 61 -2.624 24.111 5.297 506 HD3 LYS 61 HD1 LYS 61 -3.894 25.019 6.124 507 HE2 LYS 61 HE2 LYS 61 -3.798 23.403 8.012 508 HE3 LYS 61 HE1 LYS 61 -2.509 22.526 7.181 509 HZ1 LYS 61 HZ1 LYS 61 -1.631 24.027 8.843 510 HZ2 LYS 61 HZ2 LYS 61 -2.384 25.341 8.095 511 HZ3 LYS 61 HZ3 LYS 61 -1.148 24.510 7.296 512 H LEU 62 HN LEU 62 -6.551 23.753 2.038 513 HA LEU 62 HA LEU 62 -7.044 24.140 -0.135 514 HB2 LEU 62 HB2 LEU 62 -8.944 25.361 1.449 515 HB3 LEU 62 HB1 LEU 62 -8.457 26.723 0.473 516 HG LEU 62 HG LEU 62 -10.522 25.526 -0.347 517 HD11 LEU 62 HD11 LEU 62 -9.269 26.888 -1.935 518 HD12 LEU 62 HD12 LEU 62 -9.964 25.478 -2.728 519 HD13 LEU 62 HD13 LEU 62 -8.242 25.510 -2.340 520 HD21 LEU 62 HD21 LEU 62 -10.330 23.359 -1.442 521 HD22 LEU 62 HD22 LEU 62 -9.861 23.246 0.253 522 HD23 LEU 62 HD23 LEU 62 -8.620 23.262 -1.006 523 H ASP 63 HN ASP 63 -4.557 25.382 0.900 524 HA ASP 63 HA ASP 63 -4.230 28.039 -0.156 525 HB2 ASP 63 HB2 ASP 63 -3.051 27.377 1.874 526 HB3 ASP 63 HB1 ASP 63 -2.315 26.005 1.059 527 H GLY 64 HN GLY 64 -2.645 28.650 -1.788 528 HA2 GLY 64 HA2 GLY 64 -2.892 27.486 -4.278 529 HA3 GLY 64 HA1 GLY 64 -1.597 28.574 -3.815 530 H ALA 65 HN ALA 65 -0.205 27.067 -1.983 531 HA ALA 65 HA ALA 65 1.353 25.309 -3.618 532 HB1 ALA 65 HB1 ALA 65 2.685 24.927 -1.588 533 HB2 ALA 65 HB2 ALA 65 1.446 25.711 -0.602 534 HB3 ALA 65 HB3 ALA 65 2.342 26.648 -1.796 535 H ASN 66 HN ASN 66 -1.223 24.816 -1.248 536 HA ASN 66 HA ASN 66 -0.833 21.988 -0.875 537 HB2 ASN 66 HB2 ASN 66 -3.251 23.752 -0.273 538 HB3 ASN 66 HB1 ASN 66 -3.151 22.047 0.153 539 HD21 ASN 66 HD21 ASN 66 -0.466 24.392 0.442 540 HD22 ASN 66 HD22 ASN 66 -0.403 24.337 2.161 541 H ILE 67 HN ILE 67 -2.836 23.976 -2.983 542 HA ILE 67 HA ILE 67 -4.353 21.987 -4.285 543 HB ILE 67 HB ILE 67 -3.361 24.668 -5.395 544 HG12 ILE 67 HG12 ILE 67 -4.758 24.906 -3.296 545 HG13 ILE 67 HG11 ILE 67 -5.487 25.660 -4.706 546 HG21 ILE 67 HG21 ILE 67 -5.626 22.893 -6.363 547 HG22 ILE 67 HG22 ILE 67 -4.092 23.170 -7.184 548 HG23 ILE 67 HG23 ILE 67 -5.240 24.495 -6.997 549 HD11 ILE 67 HD11 ILE 67 -7.119 24.503 -3.326 550 HD12 ILE 67 HD12 ILE 67 -6.258 22.984 -3.559 551 HD13 ILE 67 HD13 ILE 67 -7.016 23.791 -4.934 552 H LYS 68 HN LYS 68 -1.251 23.543 -5.037 553 HA LYS 68 HA LYS 68 -0.587 22.187 -7.400 554 HB2 LYS 68 HB2 LYS 68 1.142 23.510 -5.275 555 HB3 LYS 68 HB1 LYS 68 1.802 22.874 -6.781 556 HG2 LYS 68 HG2 LYS 68 0.325 24.404 -8.060 557 HG3 LYS 68 HG1 LYS 68 -0.277 25.070 -6.540 558 HD2 LYS 68 HD2 LYS 68 2.019 25.832 -5.983 559 HD3 LYS 68 HD1 LYS 68 2.601 25.185 -7.522 560 HE2 LYS 68 HE2 LYS 68 1.139 26.748 -8.738 561 HE3 LYS 68 HE1 LYS 68 0.513 27.368 -7.209 562 HZ1 LYS 68 HZ1 LYS 68 2.173 28.842 -8.071 563 HZ2 LYS 68 HZ2 LYS 68 3.300 27.592 -8.196 564 HZ3 LYS 68 HZ3 LYS 68 2.779 28.104 -6.671 565 H HIS 69 HN HIS 69 -0.093 21.364 -4.025 566 HA HIS 69 HA HIS 69 1.664 19.169 -4.366 567 HB2 HIS 69 HB2 HIS 69 1.303 20.446 -2.226 568 HB3 HIS 69 HB1 HIS 69 -0.280 19.695 -2.075 569 HD1 HIS 69 HD1 HIS 69 0.066 18.228 -0.060 570 HD2 HIS 69 HD2 HIS 69 3.108 17.805 -2.861 571 HE1 HIS 69 HE1 HIS 69 1.521 16.372 0.797 572 HE2 HIS 69 HE2 HIS 69 3.258 16.033 -0.992 573 H ARG 70 HN ARG 70 -1.875 19.424 -4.093 574 HA ARG 70 HA ARG 70 -2.613 16.716 -4.263 575 HB2 ARG 70 HB2 ARG 70 -4.003 19.303 -5.022 576 HB3 ARG 70 HB1 ARG 70 -4.756 17.776 -5.448 577 HG2 ARG 70 HG2 ARG 70 -4.031 18.628 -2.630 578 HG3 ARG 70 HG1 ARG 70 -5.641 18.726 -3.350 579 HD2 ARG 70 HD2 ARG 70 -5.511 16.211 -3.723 580 HD3 ARG 70 HD1 ARG 70 -4.043 16.215 -2.737 581 HE ARG 70 HE ARG 70 -6.676 17.143 -1.736 582 HH11 ARG 70 HH11 ARG 70 -3.746 15.288 -1.233 583 HH12 ARG 70 HH12 ARG 70 -4.229 14.736 0.338 584 HH21 ARG 70 HH21 ARG 70 -7.294 16.393 0.314 585 HH22 ARG 70 HH22 ARG 70 -6.220 15.375 1.215 586 H LEU 71 HN LEU 71 -2.204 19.134 -6.844 587 HA LEU 71 HA LEU 71 -2.885 17.489 -9.031 588 HB2 LEU 71 HB2 LEU 71 -1.081 19.942 -9.017 589 HB3 LEU 71 HB1 LEU 71 -1.823 19.226 -10.434 590 HG LEU 71 HG LEU 71 -3.157 20.797 -8.217 591 HD11 LEU 71 HD11 LEU 71 -3.180 21.165 -11.225 592 HD12 LEU 71 HD12 LEU 71 -2.221 22.089 -10.066 593 HD13 LEU 71 HD13 LEU 71 -3.977 22.201 -10.032 594 HD21 LEU 71 HD21 LEU 71 -4.609 19.122 -10.287 595 HD22 LEU 71 HD22 LEU 71 -5.356 20.310 -9.216 596 HD23 LEU 71 HD23 LEU 71 -4.606 18.871 -8.538 597 H ALA 72 HN ALA 72 0.174 18.183 -7.457 598 HA ALA 72 HA ALA 72 1.954 17.078 -9.338 599 HB1 ALA 72 HB1 ALA 72 3.619 17.175 -7.532 600 HB2 ALA 72 HB2 ALA 72 2.333 17.445 -6.350 601 HB3 ALA 72 HB3 ALA 72 2.657 18.657 -7.591 602 H LEU 73 HN LEU 73 0.691 15.735 -6.265 603 HA LEU 73 HA LEU 73 1.938 13.197 -6.519 604 HB2 LEU 73 HB2 LEU 73 -0.489 14.023 -4.888 605 HB3 LEU 73 HB1 LEU 73 0.380 12.505 -4.694 606 HG LEU 73 HG LEU 73 1.594 15.262 -4.240 607 HD11 LEU 73 HD11 LEU 73 1.546 14.723 -1.860 608 HD12 LEU 73 HD12 LEU 73 0.687 13.218 -2.207 609 HD13 LEU 73 HD13 LEU 73 -0.074 14.774 -2.548 610 HD21 LEU 73 HD21 LEU 73 2.765 12.515 -3.674 611 HD22 LEU 73 HD22 LEU 73 3.499 14.065 -3.255 612 HD23 LEU 73 HD23 LEU 73 3.283 13.625 -4.946 613 H TRP 74 HN TRP 74 -1.205 14.439 -7.539 614 HA TRP 74 HA TRP 74 -2.519 12.093 -8.286 615 HB2 TRP 74 HB2 TRP 74 -3.720 14.213 -8.336 616 HB3 TRP 74 HB1 TRP 74 -2.637 14.869 -9.554 617 HD1 TRP 74 HD1 TRP 74 -5.150 11.902 -9.267 618 HE1 TRP 74 HE1 TRP 74 -6.256 11.565 -11.563 619 HE3 TRP 74 HE3 TRP 74 -2.694 15.524 -11.900 620 HZ2 TRP 74 HZ2 TRP 74 -6.125 12.681 -14.131 621 HZ3 TRP 74 HZ3 TRP 74 -3.246 15.838 -14.279 622 HH2 TRP 74 HH2 TRP 74 -4.932 14.442 -15.372 623 H ILE 75 HN ILE 75 -0.675 14.296 -10.406 624 HA ILE 75 HA ILE 75 -0.805 12.569 -12.655 625 HB ILE 75 HB ILE 75 -0.601 15.075 -12.809 626 HG12 ILE 75 HG12 ILE 75 0.896 15.086 -14.806 627 HG13 ILE 75 HG11 ILE 75 1.540 13.515 -14.340 628 HG21 ILE 75 HG21 ILE 75 1.626 16.127 -12.648 629 HG22 ILE 75 HG22 ILE 75 2.302 14.606 -12.062 630 HG23 ILE 75 HG23 ILE 75 1.097 15.465 -11.100 631 HD11 ILE 75 HD11 ILE 75 -0.082 13.339 -16.139 632 HD12 ILE 75 HD12 ILE 75 -1.318 14.087 -15.131 633 HD13 ILE 75 HD13 ILE 75 -0.657 12.508 -14.696 634 H HIS 76 HN HIS 76 1.451 12.897 -9.991 635 HA HIS 76 HA HIS 76 3.688 11.585 -11.144 636 HB2 HIS 76 HB2 HIS 76 3.489 12.943 -8.850 637 HB3 HIS 76 HB1 HIS 76 3.126 11.366 -8.167 638 HD1 HIS 76 HD1 HIS 76 5.336 11.256 -6.847 639 HD2 HIS 76 HD2 HIS 76 5.864 11.713 -10.935 640 HE1 HIS 76 HE1 HIS 76 7.784 10.925 -7.253 641 HE2 HIS 76 HE2 HIS 76 8.053 11.058 -9.750 642 H ALA 77 HN ALA 77 0.859 10.443 -9.369 643 HA ALA 77 HA ALA 77 1.583 7.630 -9.524 644 HB1 ALA 77 HB1 ALA 77 0.301 8.517 -7.625 645 HB2 ALA 77 HB2 ALA 77 -0.605 7.263 -8.472 646 HB3 ALA 77 HB3 ALA 77 -1.017 8.963 -8.709 647 H ALA 78 HN ALA 78 -0.204 9.910 -11.472 648 HA ALA 78 HA ALA 78 -1.730 7.993 -12.996 649 HB1 ALA 78 HB1 ALA 78 -2.355 9.913 -14.407 650 HB2 ALA 78 HB2 ALA 78 -1.150 10.916 -13.594 651 HB3 ALA 78 HB3 ALA 78 -2.538 10.301 -12.695 652 H LEU 79 HN LEU 79 1.430 9.425 -13.216 653 HA LEU 79 HA LEU 79 2.009 8.403 -15.877 654 HB2 LEU 79 HB2 LEU 79 3.774 9.734 -13.789 655 HB3 LEU 79 HB1 LEU 79 4.307 9.285 -15.404 656 HG LEU 79 HG LEU 79 2.139 11.331 -14.782 657 HD11 LEU 79 HD11 LEU 79 3.736 13.027 -15.546 658 HD12 LEU 79 HD12 LEU 79 4.979 11.787 -15.725 659 HD13 LEU 79 HD13 LEU 79 4.333 12.168 -14.128 660 HD21 LEU 79 HD21 LEU 79 2.218 11.892 -17.181 661 HD22 LEU 79 HD22 LEU 79 1.703 10.229 -16.919 662 HD23 LEU 79 HD23 LEU 79 3.350 10.564 -17.458 663 HA PRO 80 HA PRO 80 2.856 4.326 -14.014 664 HB2 PRO 80 HB2 PRO 80 3.910 3.765 -16.781 665 HB3 PRO 80 HB1 PRO 80 2.730 2.858 -15.821 666 HG2 PRO 80 HG2 PRO 80 1.904 4.355 -17.862 667 HG3 PRO 80 HG1 PRO 80 0.977 4.333 -16.343 668 HD2 PRO 80 HD2 PRO 80 2.930 6.417 -17.340 669 HD3 PRO 80 HD1 PRO 80 1.328 6.642 -16.596 670 H ASP 81 HN ASP 81 5.166 6.180 -15.903 671 HA ASP 81 HA ASP 81 7.543 4.779 -15.136 672 HB2 ASP 81 HB2 ASP 81 7.105 7.528 -16.380 673 HB3 ASP 81 HB1 ASP 81 8.697 6.821 -16.127 674 H ASN 82 HN ASN 82 5.619 7.267 -13.679 675 HA ASN 82 HA ASN 82 5.704 8.495 -11.776 676 HB2 ASN 82 HB2 ASN 82 7.836 6.474 -10.954 677 HB3 ASN 82 HB1 ASN 82 7.021 7.579 -9.852 678 HD21 ASN 82 HD21 ASN 82 7.135 4.702 -9.788 679 HD22 ASN 82 HD22 ASN 82 5.504 4.145 -9.841 680 H ASP 83 HN ASP 83 7.304 9.350 -13.987 681 HA ASP 83 HA ASP 83 9.947 10.055 -13.409 682 HB2 ASP 83 HB2 ASP 83 7.946 11.388 -15.284 683 HB3 ASP 83 HB1 ASP 83 9.666 11.766 -15.265 684 HA PRO 84 HA PRO 84 9.407 13.901 -10.975 685 HB2 PRO 84 HB2 PRO 84 11.863 14.968 -11.201 686 HB3 PRO 84 HB1 PRO 84 11.623 13.451 -10.319 687 HG2 PRO 84 HG2 PRO 84 12.545 13.839 -13.181 688 HG3 PRO 84 HG1 PRO 84 13.281 12.842 -11.905 689 HD2 PRO 84 HD2 PRO 84 11.599 11.805 -13.793 690 HD3 PRO 84 HD1 PRO 84 11.704 11.142 -12.146 691 H LEU 85 HN LEU 85 9.636 13.617 -14.293 692 HA LEU 85 HA LEU 85 9.126 14.825 -16.091 693 HB2 LEU 85 HB2 LEU 85 7.984 16.713 -14.028 694 HB3 LEU 85 HB1 LEU 85 7.889 17.047 -15.752 695 HG LEU 85 HG LEU 85 6.726 14.782 -15.994 696 HD11 LEU 85 HD11 LEU 85 7.263 13.707 -13.933 697 HD12 LEU 85 HD12 LEU 85 5.518 13.936 -13.984 698 HD13 LEU 85 HD13 LEU 85 6.517 14.999 -12.995 699 HD21 LEU 85 HD21 LEU 85 4.527 15.683 -15.370 700 HD22 LEU 85 HD22 LEU 85 5.528 16.879 -16.186 701 HD23 LEU 85 HD23 LEU 85 5.319 16.958 -14.436 702 H LYS 86 HN LYS 86 11.650 15.252 -14.503 703 HA LYS 86 HA LYS 86 12.598 17.905 -14.889 704 HB2 LYS 86 HB2 LYS 86 13.428 16.331 -13.138 705 HB3 LYS 86 HB1 LYS 86 14.118 15.303 -14.392 706 HG2 LYS 86 HG2 LYS 86 15.619 17.181 -15.055 707 HG3 LYS 86 HG1 LYS 86 14.965 18.140 -13.723 708 HD2 LYS 86 HD2 LYS 86 15.786 16.401 -12.114 709 HD3 LYS 86 HD1 LYS 86 16.483 15.511 -13.470 710 HE2 LYS 86 HE2 LYS 86 17.275 18.308 -12.590 711 HE3 LYS 86 HE1 LYS 86 18.195 16.833 -12.291 712 HZ1 LYS 86 HZ1 LYS 86 17.596 18.023 -14.942 713 HZ2 LYS 86 HZ2 LYS 86 18.399 16.555 -14.696 714 HZ3 LYS 86 HZ3 LYS 86 19.098 17.997 -14.162 Start of MODEL 18 1 H MET 1 HT1 MET 1 -1.547 6.333 -8.464 2 HA MET 1 HA MET 1 -1.396 4.035 -7.806 3 HB2 MET 1 HB2 MET 1 -1.342 3.156 -10.147 4 HB3 MET 1 HB1 MET 1 0.304 3.750 -10.317 5 HG2 MET 1 HG2 MET 1 1.045 2.189 -8.555 6 HG3 MET 1 HG1 MET 1 -0.612 1.612 -8.373 7 HE1 MET 1 HE1 MET 1 -1.934 0.286 -10.353 8 HE2 MET 1 HE2 MET 1 -1.189 -0.119 -11.899 9 HE3 MET 1 HE3 MET 1 -1.558 1.562 -11.519 10 H SER 2 HN SER 2 1.222 5.854 -9.451 11 HA SER 2 HA SER 2 3.289 5.063 -7.653 12 HB2 SER 2 HB2 SER 2 3.286 7.370 -9.631 13 HB3 SER 2 HB1 SER 2 4.702 6.565 -8.951 14 HG SER 2 HG SER 2 3.775 4.605 -9.974 15 H LYS 3 HN LYS 3 3.044 5.659 -5.542 16 HA LYS 3 HA LYS 3 3.068 8.559 -4.892 17 HB2 LYS 3 HB2 LYS 3 0.903 7.519 -4.190 18 HB3 LYS 3 HB1 LYS 3 1.786 6.320 -3.252 19 HG2 LYS 3 HG2 LYS 3 2.685 8.138 -1.804 20 HG3 LYS 3 HG1 LYS 3 1.739 9.320 -2.713 21 HD2 LYS 3 HD2 LYS 3 0.584 6.990 -1.121 22 HD3 LYS 3 HD1 LYS 3 0.683 8.658 -0.549 23 HE2 LYS 3 HE2 LYS 3 -0.824 9.387 -2.338 24 HE3 LYS 3 HE1 LYS 3 -0.886 7.745 -2.988 25 HZ1 LYS 3 HZ1 LYS 3 -1.832 8.580 -0.305 26 HZ2 LYS 3 HZ2 LYS 3 -1.892 7.010 -0.927 27 HZ3 LYS 3 HZ3 LYS 3 -2.809 8.237 -1.640 28 H THR 4 HN THR 4 4.484 9.187 -3.267 29 HA THR 4 HA THR 4 6.398 9.292 -2.092 30 HB THR 4 HB THR 4 5.924 6.363 -1.378 31 HG1 THR 4 HG1 THR 4 4.244 7.077 -0.321 32 HG21 THR 4 HG21 THR 4 7.406 8.548 0.148 33 HG22 THR 4 HG22 THR 4 8.165 7.190 -0.684 34 HG23 THR 4 HG23 THR 4 7.131 6.901 0.715 35 H ALA 5 HN ALA 5 7.453 9.571 -4.158 36 HA ALA 5 HA ALA 5 9.760 7.961 -4.575 37 HB1 ALA 5 HB1 ALA 5 8.168 6.425 -5.675 38 HB2 ALA 5 HB2 ALA 5 9.260 7.125 -6.872 39 HB3 ALA 5 HB3 ALA 5 7.607 7.725 -6.725 40 H LYS 6 HN LYS 6 10.161 8.709 -7.369 41 HA LYS 6 HA LYS 6 11.516 11.088 -7.078 42 HB2 LYS 6 HB2 LYS 6 10.446 9.833 -9.629 43 HB3 LYS 6 HB1 LYS 6 11.619 11.149 -9.596 44 HG2 LYS 6 HG2 LYS 6 13.241 9.711 -8.450 45 HG3 LYS 6 HG1 LYS 6 12.069 8.387 -8.410 46 HD2 LYS 6 HD2 LYS 6 12.092 8.228 -10.847 47 HD3 LYS 6 HD1 LYS 6 13.112 9.665 -10.973 48 HE2 LYS 6 HE2 LYS 6 13.944 7.042 -9.679 49 HE3 LYS 6 HE1 LYS 6 14.389 7.562 -11.307 50 HZ1 LYS 6 HZ1 LYS 6 16.165 8.048 -9.799 51 HZ2 LYS 6 HZ2 LYS 6 15.135 8.896 -8.763 52 HZ3 LYS 6 HZ3 LYS 6 15.477 9.507 -10.299 53 H LEU 7 HN LEU 7 10.493 12.852 -6.343 54 HA LEU 7 HA LEU 7 8.965 14.467 -8.180 55 HB2 LEU 7 HB2 LEU 7 7.242 13.040 -6.920 56 HB3 LEU 7 HB1 LEU 7 7.727 13.859 -5.452 57 HG LEU 7 HG LEU 7 6.569 15.375 -7.838 58 HD11 LEU 7 HD11 LEU 7 4.928 13.672 -7.195 59 HD12 LEU 7 HD12 LEU 7 4.363 15.280 -6.752 60 HD13 LEU 7 HD13 LEU 7 5.005 14.200 -5.510 61 HD21 LEU 7 HD21 LEU 7 5.978 17.096 -6.181 62 HD22 LEU 7 HD22 LEU 7 7.713 16.789 -6.166 63 HD23 LEU 7 HD23 LEU 7 6.691 16.119 -4.891 64 H ASN 8 HN ASN 8 10.756 15.844 -8.104 65 HA ASN 8 HA ASN 8 11.570 16.987 -5.504 66 HB2 ASN 8 HB2 ASN 8 13.392 16.191 -7.008 67 HB3 ASN 8 HB1 ASN 8 12.855 17.315 -8.254 68 HD21 ASN 8 HD21 ASN 8 14.743 18.533 -8.314 69 HD22 ASN 8 HD22 ASN 8 15.301 19.511 -7.002 70 H ASN 9 HN ASN 9 11.190 18.343 -8.813 71 HA ASN 9 HA ASN 9 10.322 20.896 -7.672 72 HB2 ASN 9 HB2 ASN 9 12.032 20.843 -9.498 73 HB3 ASN 9 HB1 ASN 9 10.815 20.191 -10.595 74 HD21 ASN 9 HD21 ASN 9 11.324 22.103 -11.885 75 HD22 ASN 9 HD22 ASN 9 10.550 23.601 -11.525 76 H GLU 10 HN GLU 10 8.328 20.648 -6.963 77 HA GLU 10 HA GLU 10 6.223 19.122 -7.880 78 HB2 GLU 10 HB2 GLU 10 6.366 20.175 -5.652 79 HB3 GLU 10 HB1 GLU 10 6.147 21.764 -6.374 80 HG2 GLU 10 HG2 GLU 10 3.867 21.204 -7.024 81 HG3 GLU 10 HG1 GLU 10 4.079 19.551 -6.453 82 H GLU 11 HN GLU 11 7.063 22.451 -8.762 83 HA GLU 11 HA GLU 11 4.743 23.351 -9.970 84 HB2 GLU 11 HB2 GLU 11 7.641 24.003 -10.586 85 HB3 GLU 11 HB1 GLU 11 6.293 24.892 -11.290 86 HG2 GLU 11 HG2 GLU 11 5.556 25.428 -8.913 87 HG3 GLU 11 HG1 GLU 11 7.083 24.732 -8.366 88 H LYS 12 HN LYS 12 7.326 21.448 -11.476 89 HA LYS 12 HA LYS 12 6.486 21.631 -14.176 90 HB2 LYS 12 HB2 LYS 12 8.028 19.399 -12.786 91 HB3 LYS 12 HB1 LYS 12 7.904 19.602 -14.536 92 HG2 LYS 12 HG2 LYS 12 9.087 21.752 -14.383 93 HG3 LYS 12 HG1 LYS 12 9.164 21.603 -12.628 94 HD2 LYS 12 HD2 LYS 12 11.308 20.991 -13.485 95 HD3 LYS 12 HD1 LYS 12 10.526 19.499 -12.956 96 HE2 LYS 12 HE2 LYS 12 9.940 18.961 -15.275 97 HE3 LYS 12 HE1 LYS 12 10.627 20.487 -15.829 98 HZ1 LYS 12 HZ1 LYS 12 12.122 18.268 -14.551 99 HZ2 LYS 12 HZ2 LYS 12 12.789 19.740 -15.050 100 HZ3 LYS 12 HZ3 LYS 12 12.143 18.677 -16.192 101 H LEU 13 HN LEU 13 5.799 19.284 -11.622 102 HA LEU 13 HA LEU 13 4.154 17.554 -13.160 103 HB2 LEU 13 HB2 LEU 13 4.389 17.908 -10.151 104 HB3 LEU 13 HB1 LEU 13 3.397 16.678 -10.914 105 HG LEU 13 HG LEU 13 5.699 16.021 -12.108 106 HD11 LEU 13 HD11 LEU 13 6.729 17.263 -9.550 107 HD12 LEU 13 HD12 LEU 13 7.050 17.824 -11.194 108 HD13 LEU 13 HD13 LEU 13 7.655 16.254 -10.668 109 HD21 LEU 13 HD21 LEU 13 4.387 14.492 -10.758 110 HD22 LEU 13 HD22 LEU 13 5.037 15.193 -9.276 111 HD23 LEU 13 HD23 LEU 13 6.101 14.322 -10.385 112 H VAL 14 HN VAL 14 3.486 20.353 -11.093 113 HA VAL 14 HA VAL 14 0.676 20.283 -10.966 114 HB VAL 14 HB VAL 14 2.503 22.723 -11.046 115 HG11 VAL 14 HG11 VAL 14 0.664 23.956 -9.903 116 HG12 VAL 14 HG12 VAL 14 -0.388 22.549 -10.072 117 HG13 VAL 14 HG13 VAL 14 0.172 23.408 -11.507 118 HG21 VAL 14 HG21 VAL 14 1.401 21.188 -8.670 119 HG22 VAL 14 HG22 VAL 14 2.405 22.639 -8.589 120 HG23 VAL 14 HG23 VAL 14 3.062 21.146 -9.252 121 H LYS 15 HN LYS 15 2.807 21.936 -13.293 122 HA LYS 15 HA LYS 15 0.735 23.000 -14.909 123 HB2 LYS 15 HB2 LYS 15 3.680 22.555 -15.495 124 HB3 LYS 15 HB1 LYS 15 2.584 23.449 -16.554 125 HG2 LYS 15 HG2 LYS 15 2.158 25.080 -14.727 126 HG3 LYS 15 HG1 LYS 15 3.279 24.198 -13.684 127 HD2 LYS 15 HD2 LYS 15 3.990 25.559 -16.314 128 HD3 LYS 15 HD1 LYS 15 4.341 26.191 -14.701 129 HE2 LYS 15 HE2 LYS 15 5.885 24.391 -14.251 130 HE3 LYS 15 HE1 LYS 15 5.399 23.524 -15.709 131 HZ1 LYS 15 HZ1 LYS 15 7.467 24.624 -16.058 132 HZ2 LYS 15 HZ2 LYS 15 6.821 26.116 -15.597 133 HZ3 LYS 15 HZ3 LYS 15 6.289 25.367 -17.015 134 H LYS 16 HN LYS 16 2.582 19.996 -15.036 135 HA LYS 16 HA LYS 16 1.621 19.001 -17.512 136 HB2 LYS 16 HB2 LYS 16 3.543 18.047 -16.264 137 HB3 LYS 16 HB1 LYS 16 2.454 17.474 -15.015 138 HG2 LYS 16 HG2 LYS 16 3.099 15.630 -16.444 139 HG3 LYS 16 HG1 LYS 16 1.376 15.956 -16.654 140 HD2 LYS 16 HD2 LYS 16 1.848 17.136 -18.766 141 HD3 LYS 16 HD1 LYS 16 3.579 16.880 -18.536 142 HE2 LYS 16 HE2 LYS 16 3.218 14.427 -18.670 143 HE3 LYS 16 HE1 LYS 16 1.492 14.707 -18.936 144 HZ1 LYS 16 HZ1 LYS 16 2.663 14.324 -21.005 145 HZ2 LYS 16 HZ2 LYS 16 3.692 15.632 -20.705 146 HZ3 LYS 16 HZ3 LYS 16 2.046 15.894 -20.963 147 H ALA 17 HN ALA 17 0.343 18.902 -14.227 148 HA ALA 17 HA ALA 17 -1.935 17.241 -14.770 149 HB1 ALA 17 HB1 ALA 17 -2.680 17.881 -12.511 150 HB2 ALA 17 HB2 ALA 17 -1.417 19.115 -12.436 151 HB3 ALA 17 HB3 ALA 17 -0.978 17.409 -12.507 152 H LEU 18 HN LEU 18 -1.250 20.684 -15.003 153 HA LEU 18 HA LEU 18 -3.956 21.572 -15.349 154 HB2 LEU 18 HB2 LEU 18 -1.427 22.908 -16.401 155 HB3 LEU 18 HB1 LEU 18 -3.009 23.660 -16.225 156 HG LEU 18 HG LEU 18 -1.122 22.800 -14.012 157 HD11 LEU 18 HD11 LEU 18 -1.098 25.164 -13.392 158 HD12 LEU 18 HD12 LEU 18 -2.168 25.544 -14.746 159 HD13 LEU 18 HD13 LEU 18 -0.543 24.924 -15.049 160 HD21 LEU 18 HD21 LEU 18 -3.373 22.205 -13.316 161 HD22 LEU 18 HD22 LEU 18 -3.954 23.830 -13.695 162 HD23 LEU 18 HD23 LEU 18 -2.784 23.584 -12.395 163 H GLU 19 HN GLU 19 -1.398 20.416 -17.495 164 HA GLU 19 HA GLU 19 -2.731 20.864 -19.964 165 HB2 GLU 19 HB2 GLU 19 -0.598 18.803 -19.273 166 HB3 GLU 19 HB1 GLU 19 -1.097 19.231 -20.909 167 HG2 GLU 19 HG2 GLU 19 -0.297 21.549 -20.503 168 HG3 GLU 19 HG1 GLU 19 0.269 21.054 -18.912 169 H ILE 20 HN ILE 20 -2.343 17.875 -18.026 170 HA ILE 20 HA ILE 20 -4.010 16.263 -19.685 171 HB ILE 20 HB ILE 20 -3.129 15.734 -16.814 172 HG12 ILE 20 HG12 ILE 20 -1.163 16.034 -18.286 173 HG13 ILE 20 HG11 ILE 20 -1.302 14.350 -17.796 174 HG21 ILE 20 HG21 ILE 20 -5.028 14.317 -17.422 175 HG22 ILE 20 HG22 ILE 20 -3.564 13.338 -17.318 176 HG23 ILE 20 HG23 ILE 20 -4.209 13.800 -18.896 177 HD11 ILE 20 HD11 ILE 20 -2.108 15.483 -20.480 178 HD12 ILE 20 HD12 ILE 20 -2.234 13.790 -19.988 179 HD13 ILE 20 HD13 ILE 20 -0.652 14.555 -20.120 180 H GLY 21 HN GLY 21 -4.528 17.663 -16.438 181 HA2 GLY 21 HA2 GLY 21 -7.224 16.921 -16.112 182 HA3 GLY 21 HA1 GLY 21 -6.409 18.222 -15.259 183 H GLY 22 HN GLY 22 -5.720 19.736 -17.638 184 HA2 GLY 22 HA2 GLY 22 -8.042 21.321 -18.006 185 HA3 GLY 22 HA1 GLY 22 -6.536 21.467 -18.893 186 H LYS 23 HN LYS 23 -6.366 19.038 -20.210 187 HA LYS 23 HA LYS 23 -8.194 19.490 -22.380 188 HB2 LYS 23 HB2 LYS 23 -6.998 17.704 -23.596 189 HB3 LYS 23 HB1 LYS 23 -5.897 18.877 -22.905 190 HG2 LYS 23 HG2 LYS 23 -4.740 16.955 -22.423 191 HG3 LYS 23 HG1 LYS 23 -5.693 17.104 -20.951 192 HD2 LYS 23 HD2 LYS 23 -7.307 15.446 -21.834 193 HD3 LYS 23 HD1 LYS 23 -6.351 15.300 -23.313 194 HE2 LYS 23 HE2 LYS 23 -4.425 14.486 -21.928 195 HE3 LYS 23 HE1 LYS 23 -5.458 14.567 -20.498 196 HZ1 LYS 23 HZ1 LYS 23 -5.909 12.863 -22.883 197 HZ2 LYS 23 HZ2 LYS 23 -6.923 12.944 -21.533 198 HZ3 LYS 23 HZ3 LYS 23 -5.353 12.343 -21.375 199 H MET 24 HN MET 24 -7.903 17.069 -19.838 200 HA MET 24 HA MET 24 -9.915 15.282 -20.694 201 HB2 MET 24 HB2 MET 24 -8.819 15.933 -17.944 202 HB3 MET 24 HB1 MET 24 -10.163 14.810 -18.119 203 HG2 MET 24 HG2 MET 24 -8.622 13.516 -19.732 204 HG3 MET 24 HG1 MET 24 -7.319 14.501 -19.063 205 HE1 MET 24 HE1 MET 24 -8.836 14.705 -16.010 206 HE2 MET 24 HE2 MET 24 -7.087 14.695 -16.262 207 HE3 MET 24 HE3 MET 24 -7.833 13.515 -15.181 208 H ALA 25 HN ALA 25 -10.089 17.965 -18.328 209 HA ALA 25 HA ALA 25 -12.808 18.051 -17.833 210 HB1 ALA 25 HB1 ALA 25 -12.477 20.387 -17.146 211 HB2 ALA 25 HB2 ALA 25 -10.911 20.418 -17.964 212 HB3 ALA 25 HB3 ALA 25 -11.158 19.367 -16.568 213 H LYS 26 HN LYS 26 -10.969 19.679 -20.359 214 HA LYS 26 HA LYS 26 -12.907 21.233 -21.562 215 HB2 LYS 26 HB2 LYS 26 -10.451 21.285 -22.048 216 HB3 LYS 26 HB1 LYS 26 -10.608 19.781 -22.947 217 HG2 LYS 26 HG2 LYS 26 -11.959 20.866 -24.644 218 HG3 LYS 26 HG1 LYS 26 -12.032 22.357 -23.697 219 HD2 LYS 26 HD2 LYS 26 -10.379 22.567 -25.526 220 HD3 LYS 26 HD1 LYS 26 -9.587 22.663 -23.952 221 HE2 LYS 26 HE2 LYS 26 -8.262 21.288 -25.482 222 HE3 LYS 26 HE1 LYS 26 -8.891 20.284 -24.177 223 HZ1 LYS 26 HZ1 LYS 26 -9.970 20.473 -26.937 224 HZ2 LYS 26 HZ2 LYS 26 -10.659 19.555 -25.696 225 HZ3 LYS 26 HZ3 LYS 26 -9.118 19.174 -26.275 226 H MET 27 HN MET 27 -11.921 17.918 -22.464 227 HA MET 27 HA MET 27 -13.859 17.391 -24.439 228 HB2 MET 27 HB2 MET 27 -12.294 15.514 -22.639 229 HB3 MET 27 HB1 MET 27 -13.299 14.955 -23.972 230 HG2 MET 27 HG2 MET 27 -11.881 16.248 -25.552 231 HG3 MET 27 HG1 MET 27 -10.852 16.723 -24.202 232 HE1 MET 27 HE1 MET 27 -9.315 14.979 -22.822 233 HE2 MET 27 HE2 MET 27 -9.297 13.243 -23.149 234 HE3 MET 27 HE3 MET 27 -10.737 13.997 -22.468 235 H GLN 28 HN GLN 28 -13.904 16.777 -20.942 236 HA GLN 28 HA GLN 28 -16.342 15.368 -20.735 237 HB2 GLN 28 HB2 GLN 28 -15.059 17.250 -18.713 238 HB3 GLN 28 HB1 GLN 28 -16.319 16.079 -18.339 239 HG2 GLN 28 HG2 GLN 28 -13.568 15.326 -19.366 240 HG3 GLN 28 HG1 GLN 28 -13.953 15.454 -17.656 241 HE21 GLN 28 HE21 GLN 28 -13.410 13.296 -17.332 242 HE22 GLN 28 HE22 GLN 28 -14.414 11.994 -17.853 243 H GLY 29 HN GLY 29 -15.567 18.749 -21.062 244 HA2 GLY 29 HA2 GLY 29 -17.154 20.089 -22.355 245 HA3 GLY 29 HA1 GLY 29 -18.437 19.465 -21.322 246 H PHE 30 HN PHE 30 -15.170 20.854 -20.765 247 HA PHE 30 HA PHE 30 -16.378 22.865 -18.924 248 HB2 PHE 30 HB2 PHE 30 -14.104 20.998 -18.120 249 HB3 PHE 30 HB1 PHE 30 -14.586 22.419 -17.204 250 HD1 PHE 30 HD2 PHE 30 -17.016 22.529 -16.344 251 HD2 PHE 30 HD1 PHE 30 -15.182 18.921 -17.715 252 HE1 PHE 30 HE2 PHE 30 -18.698 21.207 -15.138 253 HE2 PHE 30 HE1 PHE 30 -16.880 17.606 -16.514 254 HZ PHE 30 HZ PHE 30 -18.636 18.750 -15.222 255 H ASP 31 HN ASP 31 -15.769 24.760 -19.604 256 HA ASP 31 HA ASP 31 -13.166 25.323 -20.777 257 HB2 ASP 31 HB2 ASP 31 -15.224 26.425 -21.642 258 HB3 ASP 31 HB1 ASP 31 -15.525 27.132 -20.060 259 H LEU 32 HN LEU 32 -11.556 25.179 -19.220 260 HA LEU 32 HA LEU 32 -11.965 26.178 -16.512 261 HB2 LEU 32 HB2 LEU 32 -9.472 25.000 -17.811 262 HB3 LEU 32 HB1 LEU 32 -9.648 25.381 -16.102 263 HG LEU 32 HG LEU 32 -11.093 23.191 -17.653 264 HD11 LEU 32 HD11 LEU 32 -9.966 21.659 -16.103 265 HD12 LEU 32 HD12 LEU 32 -9.170 23.020 -15.308 266 HD13 LEU 32 HD13 LEU 32 -8.798 22.636 -16.990 267 HD21 LEU 32 HD21 LEU 32 -12.248 22.589 -15.553 268 HD22 LEU 32 HD22 LEU 32 -12.710 24.194 -16.110 269 HD23 LEU 32 HD23 LEU 32 -11.579 24.023 -14.764 270 HA PRO 33 HA PRO 33 -10.566 30.339 -17.457 271 HB2 PRO 33 HB2 PRO 33 -9.853 31.193 -14.932 272 HB3 PRO 33 HB1 PRO 33 -11.532 31.002 -15.451 273 HG2 PRO 33 HG2 PRO 33 -9.805 29.082 -13.886 274 HG3 PRO 33 HG1 PRO 33 -11.471 29.608 -13.551 275 HD2 PRO 33 HD2 PRO 33 -10.977 27.249 -14.753 276 HD3 PRO 33 HD1 PRO 33 -12.377 28.234 -15.236 277 H GLN 34 HN GLN 34 -8.706 31.338 -18.040 278 HA GLN 34 HA GLN 34 -6.098 30.141 -17.300 279 HB2 GLN 34 HB2 GLN 34 -7.060 29.414 -19.569 280 HB3 GLN 34 HB1 GLN 34 -6.855 31.070 -20.113 281 HG2 GLN 34 HG2 GLN 34 -4.546 29.386 -19.099 282 HG3 GLN 34 HG1 GLN 34 -5.053 29.367 -20.783 283 HE21 GLN 34 HE21 GLN 34 -2.496 30.207 -19.566 284 HE22 GLN 34 HE22 GLN 34 -2.227 31.817 -20.130 285 H SER 35 HN SER 35 -7.945 33.014 -18.119 286 HA SER 35 HA SER 35 -5.987 34.769 -18.959 287 HB2 SER 35 HB2 SER 35 -8.552 35.473 -17.499 288 HB3 SER 35 HB1 SER 35 -7.578 36.597 -18.448 289 HG SER 35 HG SER 35 -9.210 35.840 -19.743 290 HA PRO 36 HA PRO 36 -5.018 36.319 -14.419 291 HB2 PRO 36 HB2 PRO 36 -6.039 34.103 -12.690 292 HB3 PRO 36 HB1 PRO 36 -6.085 35.851 -12.413 293 HG2 PRO 36 HG2 PRO 36 -8.321 34.516 -13.069 294 HG3 PRO 36 HG1 PRO 36 -8.013 36.138 -13.719 295 HD2 PRO 36 HD2 PRO 36 -7.622 33.453 -15.066 296 HD3 PRO 36 HD1 PRO 36 -8.362 34.938 -15.714 297 H GLN 37 HN GLN 37 -4.891 33.058 -13.127 298 HA GLN 37 HA GLN 37 -3.125 31.670 -14.676 299 HB2 GLN 37 HB2 GLN 37 -1.461 33.545 -14.180 300 HB3 GLN 37 HB1 GLN 37 -1.482 33.059 -12.499 301 HG2 GLN 37 HG2 GLN 37 -0.622 31.196 -14.737 302 HG3 GLN 37 HG1 GLN 37 0.500 32.284 -13.936 303 HE21 GLN 37 HE21 GLN 37 0.942 31.905 -11.687 304 HE22 GLN 37 HE22 GLN 37 0.722 30.338 -11.002 305 HA PRO 38 HA PRO 38 -2.893 29.634 -10.223 306 HB2 PRO 38 HB2 PRO 38 -4.053 30.831 -8.055 307 HB3 PRO 38 HB1 PRO 38 -2.406 31.217 -8.575 308 HG2 PRO 38 HG2 PRO 38 -4.972 32.703 -9.193 309 HG3 PRO 38 HG1 PRO 38 -3.434 33.352 -8.579 310 HD2 PRO 38 HD2 PRO 38 -4.064 33.495 -11.196 311 HD3 PRO 38 HD1 PRO 38 -2.388 33.199 -10.680 312 H VAL 39 HN VAL 39 -5.681 31.260 -11.340 313 HA VAL 39 HA VAL 39 -7.804 29.756 -10.301 314 HB VAL 39 HB VAL 39 -9.103 30.620 -12.247 315 HG11 VAL 39 HG11 VAL 39 -8.803 32.058 -10.275 316 HG12 VAL 39 HG12 VAL 39 -8.844 33.033 -11.745 317 HG13 VAL 39 HG13 VAL 39 -7.303 32.704 -10.948 318 HG21 VAL 39 HG21 VAL 39 -6.426 31.709 -13.238 319 HG22 VAL 39 HG22 VAL 39 -8.004 32.063 -13.947 320 HG23 VAL 39 HG23 VAL 39 -7.363 30.421 -14.002 321 H ARG 40 HN ARG 40 -5.588 29.125 -12.989 322 HA ARG 40 HA ARG 40 -6.959 26.984 -14.250 323 HB2 ARG 40 HB2 ARG 40 -3.934 27.372 -14.003 324 HB3 ARG 40 HB1 ARG 40 -4.740 26.298 -15.149 325 HG2 ARG 40 HG2 ARG 40 -5.809 28.346 -16.167 326 HG3 ARG 40 HG1 ARG 40 -4.793 29.331 -15.109 327 HD2 ARG 40 HD2 ARG 40 -3.795 29.140 -17.333 328 HD3 ARG 40 HD1 ARG 40 -2.774 28.335 -16.133 329 HE ARG 40 HE ARG 40 -4.695 26.767 -17.744 330 HH11 ARG 40 HH11 ARG 40 -1.357 27.421 -16.895 331 HH12 ARG 40 HH12 ARG 40 -0.753 26.028 -17.730 332 HH21 ARG 40 HH21 ARG 40 -3.880 24.924 -18.823 333 HH22 ARG 40 HH22 ARG 40 -2.171 24.625 -18.817 334 H VAL 41 HN VAL 41 -4.451 27.076 -11.777 335 HA VAL 41 HA VAL 41 -4.105 24.336 -11.321 336 HB VAL 41 HB VAL 41 -3.585 26.708 -9.457 337 HG11 VAL 41 HG11 VAL 41 -1.961 25.278 -8.285 338 HG12 VAL 41 HG12 VAL 41 -2.400 23.914 -9.315 339 HG13 VAL 41 HG13 VAL 41 -3.578 24.591 -8.199 340 HG21 VAL 41 HG21 VAL 41 -1.690 25.291 -11.383 341 HG22 VAL 41 HG22 VAL 41 -1.271 26.645 -10.322 342 HG23 VAL 41 HG23 VAL 41 -2.419 26.880 -11.641 343 H LYS 42 HN LYS 42 -6.169 26.702 -9.708 344 HA LYS 42 HA LYS 42 -7.251 24.964 -7.714 345 HB2 LYS 42 HB2 LYS 42 -7.047 27.539 -7.696 346 HB3 LYS 42 HB1 LYS 42 -8.473 27.572 -8.715 347 HG2 LYS 42 HG2 LYS 42 -8.430 26.297 -5.955 348 HG3 LYS 42 HG1 LYS 42 -8.817 27.996 -6.217 349 HD2 LYS 42 HD2 LYS 42 -10.386 25.584 -7.220 350 HD3 LYS 42 HD1 LYS 42 -10.879 26.725 -5.966 351 HE2 LYS 42 HE2 LYS 42 -10.494 27.398 -8.915 352 HE3 LYS 42 HE1 LYS 42 -12.039 27.144 -8.109 353 HZ1 LYS 42 HZ1 LYS 42 -11.622 29.045 -6.725 354 HZ2 LYS 42 HZ2 LYS 42 -11.504 29.483 -8.353 355 HZ3 LYS 42 HZ3 LYS 42 -10.104 29.280 -7.431 356 H ALA 43 HN ALA 43 -8.306 25.945 -10.973 357 HA ALA 43 HA ALA 43 -10.964 24.883 -10.850 358 HB1 ALA 43 HB1 ALA 43 -10.338 26.632 -12.470 359 HB2 ALA 43 HB2 ALA 43 -11.025 25.225 -13.284 360 HB3 ALA 43 HB3 ALA 43 -9.278 25.495 -13.305 361 H VAL 44 HN VAL 44 -7.913 23.667 -12.173 362 HA VAL 44 HA VAL 44 -8.786 21.179 -13.151 363 HB VAL 44 HB VAL 44 -6.028 22.037 -12.143 364 HG11 VAL 44 HG11 VAL 44 -6.739 19.495 -13.669 365 HG12 VAL 44 HG12 VAL 44 -6.187 19.573 -11.995 366 HG13 VAL 44 HG13 VAL 44 -5.101 20.050 -13.298 367 HG21 VAL 44 HG21 VAL 44 -6.832 23.250 -14.145 368 HG22 VAL 44 HG22 VAL 44 -7.101 21.716 -14.978 369 HG23 VAL 44 HG23 VAL 44 -5.462 22.211 -14.541 370 H TYR 45 HN TYR 45 -7.509 22.160 -9.967 371 HA TYR 45 HA TYR 45 -7.631 19.769 -8.560 372 HB2 TYR 45 HB2 TYR 45 -6.642 21.546 -7.407 373 HB3 TYR 45 HB1 TYR 45 -7.939 22.666 -7.785 374 HD1 TYR 45 HD1 TYR 45 -7.036 19.775 -5.564 375 HD2 TYR 45 HD2 TYR 45 -9.730 23.028 -6.245 376 HE1 TYR 45 HE1 TYR 45 -8.004 19.459 -3.320 377 HE2 TYR 45 HE2 TYR 45 -10.687 22.712 -4.012 378 HH TYR 45 HH TYR 45 -10.903 21.051 -2.339 379 H LEU 46 HN LEU 46 -10.285 22.182 -8.882 380 HA LEU 46 HA LEU 46 -12.259 20.863 -7.389 381 HB2 LEU 46 HB2 LEU 46 -12.568 22.741 -9.761 382 HB3 LEU 46 HB1 LEU 46 -13.925 22.194 -8.785 383 HG LEU 46 HG LEU 46 -11.626 23.969 -7.872 384 HD11 LEU 46 HD11 LEU 46 -14.596 24.534 -8.181 385 HD12 LEU 46 HD12 LEU 46 -13.302 25.118 -9.233 386 HD13 LEU 46 HD13 LEU 46 -13.386 25.661 -7.559 387 HD21 LEU 46 HD21 LEU 46 -12.769 24.100 -5.683 388 HD22 LEU 46 HD22 LEU 46 -12.200 22.469 -6.028 389 HD23 LEU 46 HD23 LEU 46 -13.914 22.859 -6.201 390 H PHE 47 HN PHE 47 -11.616 20.762 -10.865 391 HA PHE 47 HA PHE 47 -13.613 18.988 -11.699 392 HB2 PHE 47 HB2 PHE 47 -12.540 20.178 -13.438 393 HB3 PHE 47 HB1 PHE 47 -10.928 19.826 -12.827 394 HD1 PHE 47 HD2 PHE 47 -13.918 17.987 -14.232 395 HD2 PHE 47 HD1 PHE 47 -9.652 18.257 -13.999 396 HE1 PHE 47 HE2 PHE 47 -13.705 16.088 -15.783 397 HE2 PHE 47 HE1 PHE 47 -9.446 16.363 -15.543 398 HZ PHE 47 HZ PHE 47 -11.474 15.271 -16.438 399 H LEU 48 HN LEU 48 -10.253 18.321 -10.686 400 HA LEU 48 HA LEU 48 -10.326 15.531 -11.183 401 HB2 LEU 48 HB2 LEU 48 -8.443 17.184 -9.479 402 HB3 LEU 48 HB1 LEU 48 -8.227 15.462 -9.762 403 HG LEU 48 HG LEU 48 -8.090 17.668 -11.857 404 HD11 LEU 48 HD11 LEU 48 -5.932 15.837 -10.778 405 HD12 LEU 48 HD12 LEU 48 -6.130 17.551 -10.409 406 HD13 LEU 48 HD13 LEU 48 -5.735 17.048 -12.049 407 HD21 LEU 48 HD21 LEU 48 -7.470 15.931 -13.482 408 HD22 LEU 48 HD22 LEU 48 -9.103 15.681 -12.871 409 HD23 LEU 48 HD23 LEU 48 -7.776 14.675 -12.280 410 H VAL 49 HN VAL 49 -11.029 17.444 -8.260 411 HA VAL 49 HA VAL 49 -11.268 15.217 -6.487 412 HB VAL 49 HB VAL 49 -12.591 17.963 -6.232 413 HG11 VAL 49 HG11 VAL 49 -12.230 15.775 -4.135 414 HG12 VAL 49 HG12 VAL 49 -13.760 16.276 -4.861 415 HG13 VAL 49 HG13 VAL 49 -12.873 17.393 -3.825 416 HG21 VAL 49 HG21 VAL 49 -10.124 18.122 -6.242 417 HG22 VAL 49 HG22 VAL 49 -10.027 16.923 -4.955 418 HG23 VAL 49 HG23 VAL 49 -10.763 18.496 -4.642 419 H ASP 50 HN ASP 50 -13.523 17.041 -8.501 420 HA ASP 50 HA ASP 50 -15.921 15.699 -7.812 421 HB2 ASP 50 HB2 ASP 50 -15.703 17.946 -9.001 422 HB3 ASP 50 HB1 ASP 50 -15.279 17.073 -10.463 423 H ALA 51 HN ALA 51 -13.344 14.991 -10.079 424 HA ALA 51 HA ALA 51 -14.773 12.819 -11.421 425 HB1 ALA 51 HB1 ALA 51 -13.390 14.378 -12.748 426 HB2 ALA 51 HB2 ALA 51 -12.780 12.725 -12.874 427 HB3 ALA 51 HB3 ALA 51 -11.959 13.895 -11.836 428 H LYS 52 HN LYS 52 -13.383 13.028 -8.499 429 HA LYS 52 HA LYS 52 -12.573 11.630 -6.930 430 HB2 LYS 52 HB2 LYS 52 -13.693 9.539 -8.826 431 HB3 LYS 52 HB1 LYS 52 -12.928 9.088 -7.313 432 HG2 LYS 52 HG2 LYS 52 -15.275 9.097 -6.904 433 HG3 LYS 52 HG1 LYS 52 -14.615 10.518 -6.100 434 HD2 LYS 52 HD2 LYS 52 -16.707 11.119 -7.171 435 HD3 LYS 52 HD1 LYS 52 -15.391 11.924 -8.029 436 HE2 LYS 52 HE2 LYS 52 -15.476 10.138 -9.770 437 HE3 LYS 52 HE1 LYS 52 -16.840 9.400 -8.927 438 HZ1 LYS 52 HZ1 LYS 52 -16.777 12.108 -10.136 439 HZ2 LYS 52 HZ2 LYS 52 -18.089 11.456 -9.291 440 HZ3 LYS 52 HZ3 LYS 52 -17.586 10.761 -10.745 441 H GLN 53 HN GLN 53 -10.859 12.482 -9.183 442 HA GLN 53 HA GLN 53 -8.748 10.579 -9.484 443 HB2 GLN 53 HB2 GLN 53 -8.858 13.572 -10.052 444 HB3 GLN 53 HB1 GLN 53 -7.561 12.499 -10.559 445 HG2 GLN 53 HG2 GLN 53 -10.451 12.335 -11.463 446 HG3 GLN 53 HG1 GLN 53 -9.113 12.994 -12.406 447 HE21 GLN 53 HE21 GLN 53 -10.935 10.745 -12.976 448 HE22 GLN 53 HE22 GLN 53 -9.918 9.380 -13.261 449 H ILE 54 HN ILE 54 -9.278 13.512 -7.507 450 HA ILE 54 HA ILE 54 -7.228 12.566 -5.586 451 HB ILE 54 HB ILE 54 -6.639 14.976 -5.051 452 HG12 ILE 54 HG12 ILE 54 -8.118 15.561 -7.657 453 HG13 ILE 54 HG11 ILE 54 -8.595 16.098 -6.055 454 HG21 ILE 54 HG21 ILE 54 -5.112 13.581 -6.351 455 HG22 ILE 54 HG22 ILE 54 -5.034 15.261 -6.883 456 HG23 ILE 54 HG23 ILE 54 -5.911 14.071 -7.847 457 HD11 ILE 54 HD11 ILE 54 -7.610 17.900 -7.327 458 HD12 ILE 54 HD12 ILE 54 -6.136 16.964 -7.567 459 HD13 ILE 54 HD13 ILE 54 -6.585 17.505 -5.947 460 H ALA 55 HN ALA 55 -7.594 13.148 -3.424 461 HA ALA 55 HA ALA 55 -10.329 13.547 -2.581 462 HB1 ALA 55 HB1 ALA 55 -8.858 11.947 -1.411 463 HB2 ALA 55 HB2 ALA 55 -9.409 13.207 -0.306 464 HB3 ALA 55 HB3 ALA 55 -7.766 13.254 -0.957 465 HA PRO 56 HA PRO 56 -10.039 17.994 -2.218 466 HB2 PRO 56 HB2 PRO 56 -12.031 18.579 -0.457 467 HB3 PRO 56 HB1 PRO 56 -12.358 17.924 -2.069 468 HG2 PRO 56 HG2 PRO 56 -12.222 16.460 0.567 469 HG3 PRO 56 HG1 PRO 56 -13.455 16.341 -0.707 470 HD2 PRO 56 HD2 PRO 56 -11.430 14.528 -0.462 471 HD3 PRO 56 HD1 PRO 56 -12.129 14.955 -2.040 472 H LEU 57 HN LEU 57 -9.132 19.597 -1.078 473 HA LEU 57 HA LEU 57 -7.848 19.166 1.488 474 HB2 LEU 57 HB2 LEU 57 -7.995 21.568 -0.373 475 HB3 LEU 57 HB1 LEU 57 -6.994 21.495 1.073 476 HG LEU 57 HG LEU 57 -6.633 19.498 -1.194 477 HD11 LEU 57 HD11 LEU 57 -4.857 20.921 -2.107 478 HD12 LEU 57 HD12 LEU 57 -5.278 22.198 -0.961 479 HD13 LEU 57 HD13 LEU 57 -6.434 21.703 -2.200 480 HD21 LEU 57 HD21 LEU 57 -4.719 20.470 0.972 481 HD22 LEU 57 HD22 LEU 57 -4.361 19.262 -0.266 482 HD23 LEU 57 HD23 LEU 57 -5.571 18.923 0.966 483 HA PRO 58 HA PRO 58 -11.128 21.430 3.747 484 HB2 PRO 58 HB2 PRO 58 -9.802 22.073 6.023 485 HB3 PRO 58 HB1 PRO 58 -10.263 20.400 5.668 486 HG2 PRO 58 HG2 PRO 58 -7.593 21.759 5.260 487 HG3 PRO 58 HG1 PRO 58 -7.938 20.181 6.005 488 HD2 PRO 58 HD2 PRO 58 -7.130 20.429 3.404 489 HD3 PRO 58 HD1 PRO 58 -8.209 19.123 3.944 490 H ASP 59 HN ASP 59 -11.405 23.669 4.713 491 HA ASP 59 HA ASP 59 -10.422 25.684 2.944 492 HB2 ASP 59 HB2 ASP 59 -11.979 25.942 5.553 493 HB3 ASP 59 HB1 ASP 59 -11.683 27.274 4.438 494 H SER 60 HN SER 60 -9.413 24.505 6.055 495 HA SER 60 HA SER 60 -7.676 26.592 6.898 496 HB2 SER 60 HB2 SER 60 -7.487 23.586 7.453 497 HB3 SER 60 HB1 SER 60 -6.688 24.863 8.374 498 HG SER 60 HG SER 60 -8.443 24.896 9.521 499 H LYS 61 HN LYS 61 -7.291 23.861 4.656 500 HA LYS 61 HA LYS 61 -4.642 24.847 3.845 501 HB2 LYS 61 HB2 LYS 61 -6.230 22.410 2.911 502 HB3 LYS 61 HB1 LYS 61 -4.652 22.873 2.274 503 HG2 LYS 61 HG2 LYS 61 -5.292 21.977 5.104 504 HG3 LYS 61 HG1 LYS 61 -4.382 21.078 3.882 505 HD2 LYS 61 HD2 LYS 61 -2.635 22.866 3.923 506 HD3 LYS 61 HD1 LYS 61 -3.538 23.699 5.188 507 HE2 LYS 61 HE2 LYS 61 -3.198 21.744 6.684 508 HE3 LYS 61 HE1 LYS 61 -2.272 20.947 5.405 509 HZ1 LYS 61 HZ1 LYS 61 -0.846 22.063 7.018 510 HZ2 LYS 61 HZ2 LYS 61 -1.565 23.546 6.654 511 HZ3 LYS 61 HZ3 LYS 61 -0.671 22.726 5.475 512 H LEU 62 HN LEU 62 -6.488 23.591 1.205 513 HA LEU 62 HA LEU 62 -7.173 24.482 -0.741 514 HB2 LEU 62 HB2 LEU 62 -8.816 25.554 1.325 515 HB3 LEU 62 HB1 LEU 62 -8.517 26.907 0.260 516 HG LEU 62 HG LEU 62 -10.638 25.691 -0.254 517 HD11 LEU 62 HD11 LEU 62 -8.614 25.544 -2.515 518 HD12 LEU 62 HD12 LEU 62 -9.532 26.973 -2.034 519 HD13 LEU 62 HD13 LEU 62 -10.374 25.568 -2.681 520 HD21 LEU 62 HD21 LEU 62 -8.824 23.376 -1.020 521 HD22 LEU 62 HD22 LEU 62 -10.575 23.455 -1.280 522 HD23 LEU 62 HD23 LEU 62 -9.929 23.430 0.360 523 H ASP 63 HN ASP 63 -4.663 25.717 0.614 524 HA ASP 63 HA ASP 63 -4.355 28.332 -0.606 525 HB2 ASP 63 HB2 ASP 63 -3.302 28.204 1.511 526 HB3 ASP 63 HB1 ASP 63 -2.728 26.566 1.251 527 H GLY 64 HN GLY 64 -2.601 28.756 -2.130 528 HA2 GLY 64 HA2 GLY 64 -2.747 27.398 -4.504 529 HA3 GLY 64 HA1 GLY 64 -1.400 28.424 -4.048 530 H ALA 65 HN ALA 65 -0.133 27.034 -2.097 531 HA ALA 65 HA ALA 65 1.447 25.169 -3.529 532 HB1 ALA 65 HB1 ALA 65 2.315 26.533 -1.674 533 HB2 ALA 65 HB2 ALA 65 2.622 24.819 -1.394 534 HB3 ALA 65 HB3 ALA 65 1.317 25.635 -0.526 535 H ASN 66 HN ASN 66 -1.214 24.721 -1.225 536 HA ASN 66 HA ASN 66 -0.905 21.888 -0.872 537 HB2 ASN 66 HB2 ASN 66 -3.316 23.688 -0.327 538 HB3 ASN 66 HB1 ASN 66 -3.197 21.995 0.151 539 HD21 ASN 66 HD21 ASN 66 -1.813 25.186 0.671 540 HD22 ASN 66 HD22 ASN 66 -1.138 24.839 2.218 541 H ILE 67 HN ILE 67 -2.940 23.907 -2.941 542 HA ILE 67 HA ILE 67 -4.496 21.934 -4.213 543 HB ILE 67 HB ILE 67 -3.464 24.577 -5.376 544 HG12 ILE 67 HG12 ILE 67 -4.811 24.864 -3.240 545 HG13 ILE 67 HG11 ILE 67 -5.514 25.663 -4.633 546 HG21 ILE 67 HG21 ILE 67 -5.386 24.442 -6.929 547 HG22 ILE 67 HG22 ILE 67 -5.789 22.853 -6.278 548 HG23 ILE 67 HG23 ILE 67 -4.266 23.094 -7.130 549 HD11 ILE 67 HD11 ILE 67 -7.149 23.876 -4.848 550 HD12 ILE 67 HD12 ILE 67 -7.192 24.603 -3.239 551 HD13 ILE 67 HD13 ILE 67 -6.423 23.035 -3.475 552 H LYS 68 HN LYS 68 -1.424 23.445 -5.047 553 HA LYS 68 HA LYS 68 -0.791 22.114 -7.432 554 HB2 LYS 68 HB2 LYS 68 0.959 23.443 -5.328 555 HB3 LYS 68 HB1 LYS 68 1.594 22.847 -6.858 556 HG2 LYS 68 HG2 LYS 68 0.159 24.412 -8.092 557 HG3 LYS 68 HG1 LYS 68 -0.545 24.979 -6.576 558 HD2 LYS 68 HD2 LYS 68 1.761 25.721 -5.872 559 HD3 LYS 68 HD1 LYS 68 2.335 25.308 -7.494 560 HE2 LYS 68 HE2 LYS 68 0.837 26.977 -8.474 561 HE3 LYS 68 HE1 LYS 68 0.141 27.324 -6.888 562 HZ1 LYS 68 HZ1 LYS 68 2.894 27.890 -7.811 563 HZ2 LYS 68 HZ2 LYS 68 2.422 27.985 -6.195 564 HZ3 LYS 68 HZ3 LYS 68 1.705 28.995 -7.336 565 H HIS 69 HN HIS 69 -0.176 21.284 -4.053 566 HA HIS 69 HA HIS 69 1.632 19.136 -4.497 567 HB2 HIS 69 HB2 HIS 69 1.309 20.386 -2.305 568 HB3 HIS 69 HB1 HIS 69 -0.197 19.499 -2.081 569 HD1 HIS 69 HD1 HIS 69 3.471 18.653 -2.717 570 HD2 HIS 69 HD2 HIS 69 0.210 17.241 -0.570 571 HE1 HIS 69 HE1 HIS 69 4.334 16.707 -1.398 572 HE2 HIS 69 HE2 HIS 69 2.392 15.997 0.033 573 H ARG 70 HN ARG 70 -1.905 19.278 -4.157 574 HA ARG 70 HA ARG 70 -2.429 16.491 -4.309 575 HB2 ARG 70 HB2 ARG 70 -4.158 18.909 -4.955 576 HB3 ARG 70 HB1 ARG 70 -4.753 17.262 -5.145 577 HG2 ARG 70 HG2 ARG 70 -3.803 18.520 -2.550 578 HG3 ARG 70 HG1 ARG 70 -5.482 18.211 -3.015 579 HD2 ARG 70 HD2 ARG 70 -5.030 15.784 -3.061 580 HD3 ARG 70 HD1 ARG 70 -3.343 16.076 -2.636 581 HE ARG 70 HE ARG 70 -5.164 17.182 -0.713 582 HH11 ARG 70 HH11 ARG 70 -3.630 14.152 -1.653 583 HH12 ARG 70 HH12 ARG 70 -3.711 13.485 -0.056 584 HH21 ARG 70 HH21 ARG 70 -5.229 16.283 1.373 585 HH22 ARG 70 HH22 ARG 70 -4.602 14.692 1.654 586 H LEU 71 HN LEU 71 -2.328 19.014 -6.825 587 HA LEU 71 HA LEU 71 -2.928 17.377 -9.046 588 HB2 LEU 71 HB2 LEU 71 -1.230 19.901 -9.015 589 HB3 LEU 71 HB1 LEU 71 -1.984 19.181 -10.430 590 HG LEU 71 HG LEU 71 -3.344 20.616 -8.127 591 HD11 LEU 71 HD11 LEU 71 -3.353 21.173 -11.106 592 HD12 LEU 71 HD12 LEU 71 -2.422 22.043 -9.882 593 HD13 LEU 71 HD13 LEU 71 -4.181 22.113 -9.857 594 HD21 LEU 71 HD21 LEU 71 -4.723 18.666 -8.583 595 HD22 LEU 71 HD22 LEU 71 -4.723 19.023 -10.313 596 HD23 LEU 71 HD23 LEU 71 -5.519 20.118 -9.180 597 H ALA 72 HN ALA 72 0.100 18.141 -7.426 598 HA ALA 72 HA ALA 72 1.925 17.143 -9.354 599 HB1 ALA 72 HB1 ALA 72 2.324 17.481 -6.366 600 HB2 ALA 72 HB2 ALA 72 2.606 18.716 -7.594 601 HB3 ALA 72 HB3 ALA 72 3.605 17.261 -7.567 602 H LEU 73 HN LEU 73 0.655 15.689 -6.330 603 HA LEU 73 HA LEU 73 1.944 13.163 -6.720 604 HB2 LEU 73 HB2 LEU 73 -0.159 14.119 -4.793 605 HB3 LEU 73 HB1 LEU 73 0.155 12.397 -4.946 606 HG LEU 73 HG LEU 73 2.608 12.907 -4.457 607 HD11 LEU 73 HD11 LEU 73 3.144 14.971 -3.267 608 HD12 LEU 73 HD12 LEU 73 1.517 15.589 -3.585 609 HD13 LEU 73 HD13 LEU 73 2.631 15.291 -4.925 610 HD21 LEU 73 HD21 LEU 73 0.578 13.447 -2.279 611 HD22 LEU 73 HD22 LEU 73 2.264 12.981 -2.034 612 HD23 LEU 73 HD23 LEU 73 1.149 11.868 -2.824 613 H TRP 74 HN TRP 74 -1.132 14.476 -7.743 614 HA TRP 74 HA TRP 74 -2.445 12.076 -8.457 615 HB2 TRP 74 HB2 TRP 74 -3.711 14.150 -8.392 616 HB3 TRP 74 HB1 TRP 74 -2.688 14.889 -9.616 617 HD1 TRP 74 HD1 TRP 74 -5.172 11.903 -9.331 618 HE1 TRP 74 HE1 TRP 74 -6.294 11.580 -11.624 619 HE3 TRP 74 HE3 TRP 74 -2.693 15.505 -11.968 620 HZ2 TRP 74 HZ2 TRP 74 -6.162 12.703 -14.188 621 HZ3 TRP 74 HZ3 TRP 74 -3.250 15.827 -14.344 622 HH2 TRP 74 HH2 TRP 74 -4.954 14.450 -15.427 623 H ILE 75 HN ILE 75 -0.652 14.381 -10.499 624 HA ILE 75 HA ILE 75 -0.698 12.719 -12.813 625 HB ILE 75 HB ILE 75 -0.546 15.243 -12.860 626 HG12 ILE 75 HG12 ILE 75 0.956 15.347 -14.841 627 HG13 ILE 75 HG11 ILE 75 1.629 13.776 -14.429 628 HG21 ILE 75 HG21 ILE 75 1.124 15.584 -11.115 629 HG22 ILE 75 HG22 ILE 75 1.679 16.299 -12.627 630 HG23 ILE 75 HG23 ILE 75 2.352 14.762 -12.084 631 HD11 ILE 75 HD11 ILE 75 -1.234 14.314 -15.228 632 HD12 ILE 75 HD12 ILE 75 -0.537 12.731 -14.872 633 HD13 ILE 75 HD13 ILE 75 0.031 13.653 -16.262 634 H HIS 76 HN HIS 76 1.530 13.112 -10.121 635 HA HIS 76 HA HIS 76 3.743 11.655 -11.120 636 HB2 HIS 76 HB2 HIS 76 3.790 12.990 -8.997 637 HB3 HIS 76 HB1 HIS 76 2.740 11.799 -8.235 638 HD1 HIS 76 HD1 HIS 76 4.096 10.401 -6.716 639 HD2 HIS 76 HD2 HIS 76 6.198 11.429 -10.140 640 HE1 HIS 76 HE1 HIS 76 6.357 9.368 -6.446 641 HE2 HIS 76 HE2 HIS 76 7.649 10.095 -8.473 642 H ALA 77 HN ALA 77 0.791 10.711 -9.425 643 HA ALA 77 HA ALA 77 1.255 7.900 -9.360 644 HB1 ALA 77 HB1 ALA 77 -0.265 9.042 -7.805 645 HB2 ALA 77 HB2 ALA 77 -1.106 7.761 -8.679 646 HB3 ALA 77 HB3 ALA 77 -1.341 9.451 -9.140 647 H ALA 78 HN ALA 78 -0.060 10.082 -11.730 648 HA ALA 78 HA ALA 78 -1.241 8.055 -13.433 649 HB1 ALA 78 HB1 ALA 78 -2.213 10.317 -13.316 650 HB2 ALA 78 HB2 ALA 78 -1.713 9.922 -14.961 651 HB3 ALA 78 HB3 ALA 78 -0.724 11.003 -13.974 652 H LEU 79 HN LEU 79 1.839 9.762 -13.213 653 HA LEU 79 HA LEU 79 2.899 8.637 -15.702 654 HB2 LEU 79 HB2 LEU 79 4.263 10.368 -13.588 655 HB3 LEU 79 HB1 LEU 79 5.005 9.857 -15.096 656 HG LEU 79 HG LEU 79 2.614 11.729 -14.844 657 HD11 LEU 79 HD11 LEU 79 5.491 12.382 -15.580 658 HD12 LEU 79 HD12 LEU 79 4.676 12.800 -14.070 659 HD13 LEU 79 HD13 LEU 79 4.134 13.515 -15.585 660 HD21 LEU 79 HD21 LEU 79 2.456 10.446 -16.909 661 HD22 LEU 79 HD22 LEU 79 4.113 10.874 -17.345 662 HD23 LEU 79 HD23 LEU 79 2.866 12.123 -17.268 663 HA PRO 80 HA PRO 80 3.739 5.167 -12.813 664 HB2 PRO 80 HB2 PRO 80 4.045 3.175 -14.649 665 HB3 PRO 80 HB1 PRO 80 2.455 3.836 -14.237 666 HG2 PRO 80 HG2 PRO 80 4.221 4.480 -16.599 667 HG3 PRO 80 HG1 PRO 80 2.472 4.158 -16.564 668 HD2 PRO 80 HD2 PRO 80 3.513 6.687 -16.643 669 HD3 PRO 80 HD1 PRO 80 1.963 6.313 -15.860 670 H ASP 81 HN ASP 81 5.724 6.349 -15.397 671 HA ASP 81 HA ASP 81 8.139 4.924 -14.792 672 HB2 ASP 81 HB2 ASP 81 7.653 7.449 -16.434 673 HB3 ASP 81 HB1 ASP 81 9.182 6.575 -16.383 674 H ASN 82 HN ASN 82 6.590 7.793 -13.613 675 HA ASN 82 HA ASN 82 7.058 9.392 -12.083 676 HB2 ASN 82 HB2 ASN 82 9.168 7.421 -11.099 677 HB3 ASN 82 HB1 ASN 82 8.675 8.862 -10.222 678 HD21 ASN 82 HD21 ASN 82 6.686 6.435 -11.923 679 HD22 ASN 82 HD22 ASN 82 5.802 5.947 -10.539 680 H ASP 83 HN ASP 83 8.181 9.618 -14.624 681 HA ASP 83 HA ASP 83 10.893 10.340 -14.736 682 HB2 ASP 83 HB2 ASP 83 9.352 9.836 -16.709 683 HB3 ASP 83 HB1 ASP 83 8.625 11.423 -16.483 684 HA PRO 84 HA PRO 84 10.644 14.389 -12.645 685 HB2 PRO 84 HB2 PRO 84 13.112 15.374 -13.245 686 HB3 PRO 84 HB1 PRO 84 12.888 14.016 -12.129 687 HG2 PRO 84 HG2 PRO 84 13.589 13.952 -15.072 688 HG3 PRO 84 HG1 PRO 84 14.373 13.096 -13.728 689 HD2 PRO 84 HD2 PRO 84 12.551 11.893 -15.326 690 HD3 PRO 84 HD1 PRO 84 12.685 11.494 -13.598 691 H LEU 85 HN LEU 85 10.075 14.026 -15.819 692 HA LEU 85 HA LEU 85 9.129 15.274 -17.426 693 HB2 LEU 85 HB2 LEU 85 8.802 17.323 -15.207 694 HB3 LEU 85 HB1 LEU 85 8.097 17.482 -16.806 695 HG LEU 85 HG LEU 85 6.985 15.149 -16.239 696 HD11 LEU 85 HD11 LEU 85 8.170 14.758 -14.131 697 HD12 LEU 85 HD12 LEU 85 6.426 14.820 -13.895 698 HD13 LEU 85 HD13 LEU 85 7.430 16.201 -13.439 699 HD21 LEU 85 HD21 LEU 85 5.765 17.199 -16.684 700 HD22 LEU 85 HD22 LEU 85 6.003 17.732 -15.016 701 HD23 LEU 85 HD23 LEU 85 5.027 16.301 -15.361 702 H LYS 86 HN LYS 86 11.909 15.281 -17.407 703 HA LYS 86 HA LYS 86 13.258 17.716 -17.519 704 HB2 LYS 86 HB2 LYS 86 13.769 15.132 -19.048 705 HB3 LYS 86 HB1 LYS 86 14.904 16.473 -19.009 706 HG2 LYS 86 HG2 LYS 86 13.968 14.905 -16.587 707 HG3 LYS 86 HG1 LYS 86 15.499 14.661 -17.438 708 HD2 LYS 86 HD2 LYS 86 16.153 17.002 -16.868 709 HD3 LYS 86 HD1 LYS 86 14.646 17.188 -15.962 710 HE2 LYS 86 HE2 LYS 86 15.355 15.347 -14.449 711 HE3 LYS 86 HE1 LYS 86 16.867 15.201 -15.349 712 HZ1 LYS 86 HZ1 LYS 86 16.007 17.695 -14.007 713 HZ2 LYS 86 HZ2 LYS 86 17.532 17.334 -14.644 714 HZ3 LYS 86 HZ3 LYS 86 16.976 16.525 -13.269 Start of MODEL 19 1 H MET 1 HT1 MET 1 3.429 2.995 6.216 2 HA MET 1 HA MET 1 4.028 1.647 4.312 3 HB2 MET 1 HB2 MET 1 1.633 3.029 3.008 4 HB3 MET 1 HB1 MET 1 2.817 2.061 2.140 5 HG2 MET 1 HG2 MET 1 2.115 0.062 3.322 6 HG3 MET 1 HG1 MET 1 1.015 1.001 4.329 7 HE1 MET 1 HE1 MET 1 1.743 -0.301 0.652 8 HE2 MET 1 HE2 MET 1 1.630 1.443 0.412 9 HE3 MET 1 HE3 MET 1 0.373 0.380 -0.225 10 H SER 2 HN SER 2 5.478 2.535 2.772 11 HA SER 2 HA SER 2 6.241 5.300 3.167 12 HB2 SER 2 HB2 SER 2 7.403 3.169 1.316 13 HB3 SER 2 HB1 SER 2 8.163 4.712 1.734 14 HG SER 2 HG SER 2 7.419 2.885 3.763 15 H LYS 3 HN LYS 3 6.553 6.789 1.295 16 HA LYS 3 HA LYS 3 4.142 7.116 -0.132 17 HB2 LYS 3 HB2 LYS 3 5.209 9.049 -1.210 18 HB3 LYS 3 HB1 LYS 3 5.578 9.020 0.509 19 HG2 LYS 3 HG2 LYS 3 7.837 8.186 0.048 20 HG3 LYS 3 HG1 LYS 3 7.475 8.088 -1.678 21 HD2 LYS 3 HD2 LYS 3 8.759 10.104 -1.304 22 HD3 LYS 3 HD1 LYS 3 7.107 10.585 -1.690 23 HE2 LYS 3 HE2 LYS 3 7.925 11.952 0.139 24 HE3 LYS 3 HE1 LYS 3 6.674 10.875 0.759 25 HZ1 LYS 3 HZ1 LYS 3 8.583 10.990 2.238 26 HZ2 LYS 3 HZ2 LYS 3 9.605 10.426 1.015 27 HZ3 LYS 3 HZ3 LYS 3 8.388 9.426 1.632 28 H THR 4 HN THR 4 7.137 5.557 -1.005 29 HA THR 4 HA THR 4 7.801 4.169 -2.622 30 HB THR 4 HB THR 4 4.937 4.228 -3.665 31 HG1 THR 4 HG1 THR 4 4.735 3.360 -1.707 32 HG21 THR 4 HG21 THR 4 6.491 3.288 -5.348 33 HG22 THR 4 HG22 THR 4 5.470 2.027 -4.653 34 HG23 THR 4 HG23 THR 4 7.145 2.186 -4.131 35 H ALA 5 HN ALA 5 5.475 6.292 -4.332 36 HA ALA 5 HA ALA 5 7.317 7.049 -6.408 37 HB1 ALA 5 HB1 ALA 5 4.882 7.011 -6.770 38 HB2 ALA 5 HB2 ALA 5 5.526 8.628 -7.063 39 HB3 ALA 5 HB3 ALA 5 4.664 8.273 -5.561 40 H LYS 6 HN LYS 6 8.882 8.579 -6.235 41 HA LYS 6 HA LYS 6 9.302 10.243 -3.928 42 HB2 LYS 6 HB2 LYS 6 10.552 10.384 -6.713 43 HB3 LYS 6 HB1 LYS 6 11.173 11.193 -5.278 44 HG2 LYS 6 HG2 LYS 6 11.675 9.019 -4.243 45 HG3 LYS 6 HG1 LYS 6 10.986 8.182 -5.636 46 HD2 LYS 6 HD2 LYS 6 12.741 9.157 -7.097 47 HD3 LYS 6 HD1 LYS 6 13.424 10.012 -5.712 48 HE2 LYS 6 HE2 LYS 6 13.253 6.988 -5.979 49 HE3 LYS 6 HE1 LYS 6 14.694 7.956 -6.290 50 HZ1 LYS 6 HZ1 LYS 6 13.291 7.705 -3.684 51 HZ2 LYS 6 HZ2 LYS 6 14.632 8.692 -3.977 52 HZ3 LYS 6 HZ3 LYS 6 14.779 7.012 -4.098 53 H LEU 7 HN LEU 7 10.036 12.759 -4.998 54 HA LEU 7 HA LEU 7 8.512 13.785 -7.118 55 HB2 LEU 7 HB2 LEU 7 6.654 13.616 -5.424 56 HB3 LEU 7 HB1 LEU 7 7.499 14.760 -4.425 57 HG LEU 7 HG LEU 7 6.962 15.715 -7.206 58 HD11 LEU 7 HD11 LEU 7 4.904 14.457 -6.837 59 HD12 LEU 7 HD12 LEU 7 4.594 16.187 -6.857 60 HD13 LEU 7 HD13 LEU 7 4.622 15.322 -5.320 61 HD21 LEU 7 HD21 LEU 7 6.496 17.024 -4.499 62 HD22 LEU 7 HD22 LEU 7 6.363 17.815 -6.073 63 HD23 LEU 7 HD23 LEU 7 7.924 17.220 -5.519 64 H ASN 8 HN ASN 8 9.900 15.245 -7.923 65 HA ASN 8 HA ASN 8 11.864 16.543 -6.137 66 HB2 ASN 8 HB2 ASN 8 11.930 16.099 -9.157 67 HB3 ASN 8 HB1 ASN 8 13.199 16.890 -8.229 68 HD21 ASN 8 HD21 ASN 8 13.258 14.437 -9.878 69 HD22 ASN 8 HD22 ASN 8 13.874 13.197 -8.845 70 H ASN 9 HN ASN 9 10.594 17.591 -9.331 71 HA ASN 9 HA ASN 9 10.574 20.368 -8.315 72 HB2 ASN 9 HB2 ASN 9 10.774 19.299 -11.164 73 HB3 ASN 9 HB1 ASN 9 10.748 21.006 -10.736 74 HD21 ASN 9 HD21 ASN 9 12.451 20.711 -8.366 75 HD22 ASN 9 HD22 ASN 9 14.043 20.393 -8.949 76 H GLU 10 HN GLU 10 8.555 20.315 -7.342 77 HA GLU 10 HA GLU 10 6.243 19.092 -8.204 78 HB2 GLU 10 HB2 GLU 10 6.586 19.988 -5.912 79 HB3 GLU 10 HB1 GLU 10 6.423 21.629 -6.532 80 HG2 GLU 10 HG2 GLU 10 4.112 21.240 -7.130 81 HG3 GLU 10 HG1 GLU 10 4.240 19.537 -6.717 82 H GLU 11 HN GLU 11 7.282 22.420 -8.876 83 HA GLU 11 HA GLU 11 5.063 23.567 -10.020 84 HB2 GLU 11 HB2 GLU 11 7.991 23.905 -10.772 85 HB3 GLU 11 HB1 GLU 11 6.715 24.957 -11.385 86 HG2 GLU 11 HG2 GLU 11 6.198 25.710 -9.122 87 HG3 GLU 11 HG1 GLU 11 7.386 24.594 -8.450 88 H LYS 12 HN LYS 12 7.397 21.432 -11.618 89 HA LYS 12 HA LYS 12 6.351 21.747 -14.267 90 HB2 LYS 12 HB2 LYS 12 8.091 19.502 -13.170 91 HB3 LYS 12 HB1 LYS 12 7.807 19.857 -14.874 92 HG2 LYS 12 HG2 LYS 12 8.815 22.202 -14.343 93 HG3 LYS 12 HG1 LYS 12 9.393 21.457 -12.854 94 HD2 LYS 12 HD2 LYS 12 11.163 21.412 -14.529 95 HD3 LYS 12 HD1 LYS 12 10.629 19.762 -14.199 96 HE2 LYS 12 HE2 LYS 12 9.261 19.789 -16.257 97 HE3 LYS 12 HE1 LYS 12 9.767 21.448 -16.579 98 HZ1 LYS 12 HZ1 LYS 12 12.047 20.665 -16.769 99 HZ2 LYS 12 HZ2 LYS 12 11.039 19.886 -17.877 100 HZ3 LYS 12 HZ3 LYS 12 11.546 19.074 -16.482 101 H LEU 13 HN LEU 13 5.805 19.441 -11.664 102 HA LEU 13 HA LEU 13 4.121 17.646 -13.110 103 HB2 LEU 13 HB2 LEU 13 4.546 18.127 -10.147 104 HB3 LEU 13 HB1 LEU 13 3.397 16.946 -10.750 105 HG LEU 13 HG LEU 13 5.421 15.931 -12.049 106 HD11 LEU 13 HD11 LEU 13 7.616 16.201 -11.035 107 HD12 LEU 13 HD12 LEU 13 6.980 17.448 -9.956 108 HD13 LEU 13 HD13 LEU 13 7.026 17.724 -11.698 109 HD21 LEU 13 HD21 LEU 13 6.048 14.516 -10.148 110 HD22 LEU 13 HD22 LEU 13 4.308 14.763 -10.248 111 HD23 LEU 13 HD23 LEU 13 5.252 15.644 -9.046 112 H VAL 14 HN VAL 14 3.540 20.533 -11.178 113 HA VAL 14 HA VAL 14 0.723 20.530 -11.057 114 HB VAL 14 HB VAL 14 2.651 22.899 -11.116 115 HG11 VAL 14 HG11 VAL 14 0.373 23.676 -11.659 116 HG12 VAL 14 HG12 VAL 14 0.842 24.224 -10.049 117 HG13 VAL 14 HG13 VAL 14 -0.267 22.861 -10.228 118 HG21 VAL 14 HG21 VAL 14 3.081 21.323 -9.276 119 HG22 VAL 14 HG22 VAL 14 1.403 21.454 -8.750 120 HG23 VAL 14 HG23 VAL 14 2.469 22.859 -8.669 121 H LYS 15 HN LYS 15 2.963 22.071 -13.364 122 HA LYS 15 HA LYS 15 1.000 23.141 -15.088 123 HB2 LYS 15 HB2 LYS 15 3.932 22.503 -15.565 124 HB3 LYS 15 HB1 LYS 15 2.927 23.405 -16.699 125 HG2 LYS 15 HG2 LYS 15 2.558 25.164 -15.013 126 HG3 LYS 15 HG1 LYS 15 3.523 24.265 -13.843 127 HD2 LYS 15 HD2 LYS 15 4.534 25.453 -16.460 128 HD3 LYS 15 HD1 LYS 15 4.826 26.104 -14.846 129 HE2 LYS 15 HE2 LYS 15 6.044 24.000 -14.262 130 HE3 LYS 15 HE1 LYS 15 5.830 23.443 -15.925 131 HZ1 LYS 15 HZ1 LYS 15 7.112 25.327 -16.691 132 HZ2 LYS 15 HZ2 LYS 15 8.002 24.454 -15.547 133 HZ3 LYS 15 HZ3 LYS 15 7.261 25.910 -15.111 134 H LYS 16 HN LYS 16 2.673 20.018 -15.048 135 HA LYS 16 HA LYS 16 1.647 19.074 -17.550 136 HB2 LYS 16 HB2 LYS 16 3.671 18.112 -16.433 137 HB3 LYS 16 HB1 LYS 16 2.646 17.446 -15.175 138 HG2 LYS 16 HG2 LYS 16 3.269 15.720 -16.801 139 HG3 LYS 16 HG1 LYS 16 1.527 15.995 -16.820 140 HD2 LYS 16 HD2 LYS 16 2.276 15.768 -19.108 141 HD3 LYS 16 HD1 LYS 16 1.817 17.447 -18.849 142 HE2 LYS 16 HE2 LYS 16 4.226 18.032 -18.541 143 HE3 LYS 16 HE1 LYS 16 4.659 16.356 -18.896 144 HZ1 LYS 16 HZ1 LYS 16 3.339 18.296 -20.718 145 HZ2 LYS 16 HZ2 LYS 16 3.550 16.656 -21.083 146 HZ3 LYS 16 HZ3 LYS 16 4.899 17.652 -20.868 147 H ALA 17 HN ALA 17 0.437 19.137 -14.269 148 HA ALA 17 HA ALA 17 -1.846 17.425 -14.742 149 HB1 ALA 17 HB1 ALA 17 -1.307 19.359 -12.469 150 HB2 ALA 17 HB2 ALA 17 -0.891 17.645 -12.492 151 HB3 ALA 17 HB3 ALA 17 -2.585 18.142 -12.511 152 H LEU 18 HN LEU 18 -1.126 20.860 -15.075 153 HA LEU 18 HA LEU 18 -3.817 21.739 -15.522 154 HB2 LEU 18 HB2 LEU 18 -1.284 23.005 -16.647 155 HB3 LEU 18 HB1 LEU 18 -2.859 23.771 -16.488 156 HG LEU 18 HG LEU 18 -0.952 23.015 -14.252 157 HD11 LEU 18 HD11 LEU 18 -1.957 25.742 -15.096 158 HD12 LEU 18 HD12 LEU 18 -0.352 25.080 -15.419 159 HD13 LEU 18 HD13 LEU 18 -0.852 25.395 -13.758 160 HD21 LEU 18 HD21 LEU 18 -2.565 23.952 -12.662 161 HD22 LEU 18 HD22 LEU 18 -3.195 22.522 -13.471 162 HD23 LEU 18 HD23 LEU 18 -3.751 24.126 -13.960 163 H GLU 19 HN GLU 19 -1.250 20.414 -17.532 164 HA GLU 19 HA GLU 19 -2.515 20.689 -20.057 165 HB2 GLU 19 HB2 GLU 19 -0.384 18.729 -19.114 166 HB3 GLU 19 HB1 GLU 19 -0.865 18.927 -20.796 167 HG2 GLU 19 HG2 GLU 19 -0.056 21.237 -20.796 168 HG3 GLU 19 HG1 GLU 19 0.323 21.126 -19.078 169 H ILE 20 HN ILE 20 -2.194 17.786 -17.969 170 HA ILE 20 HA ILE 20 -3.907 16.177 -19.609 171 HB ILE 20 HB ILE 20 -2.906 15.614 -16.782 172 HG12 ILE 20 HG12 ILE 20 -1.004 15.987 -18.321 173 HG13 ILE 20 HG11 ILE 20 -1.091 14.293 -17.863 174 HG21 ILE 20 HG21 ILE 20 -3.309 13.219 -17.327 175 HG22 ILE 20 HG22 ILE 20 -4.028 13.700 -18.866 176 HG23 ILE 20 HG23 ILE 20 -4.795 14.167 -17.348 177 HD11 ILE 20 HD11 ILE 20 -1.974 15.482 -20.495 178 HD12 ILE 20 HD12 ILE 20 -2.121 13.782 -20.040 179 HD13 ILE 20 HD13 ILE 20 -0.528 14.518 -20.193 180 H GLY 21 HN GLY 21 -4.295 17.679 -16.392 181 HA2 GLY 21 HA2 GLY 21 -6.986 16.922 -15.948 182 HA3 GLY 21 HA1 GLY 21 -6.147 18.257 -15.171 183 H GLY 22 HN GLY 22 -5.525 19.678 -17.638 184 HA2 GLY 22 HA2 GLY 22 -7.902 21.224 -17.945 185 HA3 GLY 22 HA1 GLY 22 -6.411 21.417 -18.847 186 H LYS 23 HN LYS 23 -6.217 18.971 -20.166 187 HA LYS 23 HA LYS 23 -7.980 19.363 -22.378 188 HB2 LYS 23 HB2 LYS 23 -6.969 17.331 -23.375 189 HB3 LYS 23 HB1 LYS 23 -5.736 18.430 -22.778 190 HG2 LYS 23 HG2 LYS 23 -4.998 16.969 -21.164 191 HG3 LYS 23 HG1 LYS 23 -6.595 16.284 -20.887 192 HD2 LYS 23 HD2 LYS 23 -6.383 15.002 -23.014 193 HD3 LYS 23 HD1 LYS 23 -4.742 15.634 -23.212 194 HE2 LYS 23 HE2 LYS 23 -4.030 14.510 -21.157 195 HE3 LYS 23 HE1 LYS 23 -5.681 13.995 -20.823 196 HZ1 LYS 23 HZ1 LYS 23 -3.970 13.096 -23.070 197 HZ2 LYS 23 HZ2 LYS 23 -5.594 12.671 -22.875 198 HZ3 LYS 23 HZ3 LYS 23 -4.450 12.182 -21.727 199 H MET 24 HN MET 24 -7.832 16.981 -19.747 200 HA MET 24 HA MET 24 -9.963 15.344 -20.632 201 HB2 MET 24 HB2 MET 24 -8.697 15.733 -17.906 202 HB3 MET 24 HB1 MET 24 -10.046 14.621 -18.149 203 HG2 MET 24 HG2 MET 24 -8.574 13.491 -19.920 204 HG3 MET 24 HG1 MET 24 -7.243 14.442 -19.263 205 HE1 MET 24 HE1 MET 24 -8.587 14.339 -16.076 206 HE2 MET 24 HE2 MET 24 -6.865 14.434 -16.455 207 HE3 MET 24 HE3 MET 24 -7.475 13.127 -15.438 208 H ALA 25 HN ALA 25 -9.857 18.087 -18.321 209 HA ALA 25 HA ALA 25 -12.526 18.168 -17.524 210 HB1 ALA 25 HB1 ALA 25 -12.164 20.548 -16.997 211 HB2 ALA 25 HB2 ALA 25 -10.681 20.546 -17.957 212 HB3 ALA 25 HB3 ALA 25 -10.785 19.567 -16.494 213 H LYS 26 HN LYS 26 -10.981 19.829 -20.235 214 HA LYS 26 HA LYS 26 -13.058 21.172 -21.423 215 HB2 LYS 26 HB2 LYS 26 -10.745 21.395 -22.147 216 HB3 LYS 26 HB1 LYS 26 -10.701 19.719 -22.679 217 HG2 LYS 26 HG2 LYS 26 -12.388 20.292 -24.452 218 HG3 LYS 26 HG1 LYS 26 -12.288 21.981 -23.949 219 HD2 LYS 26 HD2 LYS 26 -10.858 21.596 -25.916 220 HD3 LYS 26 HD1 LYS 26 -9.865 22.004 -24.514 221 HE2 LYS 26 HE2 LYS 26 -9.375 19.584 -24.182 222 HE3 LYS 26 HE1 LYS 26 -10.332 19.209 -25.617 223 HZ1 LYS 26 HZ1 LYS 26 -7.868 20.860 -25.545 224 HZ2 LYS 26 HZ2 LYS 26 -8.785 20.533 -26.929 225 HZ3 LYS 26 HZ3 LYS 26 -7.987 19.273 -26.126 226 H MET 27 HN MET 27 -11.975 17.858 -22.163 227 HA MET 27 HA MET 27 -14.042 17.217 -24.014 228 HB2 MET 27 HB2 MET 27 -12.121 15.449 -22.457 229 HB3 MET 27 HB1 MET 27 -13.166 14.858 -23.746 230 HG2 MET 27 HG2 MET 27 -12.034 16.407 -25.334 231 HG3 MET 27 HG1 MET 27 -10.948 16.907 -24.040 232 HE1 MET 27 HE1 MET 27 -8.818 13.667 -23.431 233 HE2 MET 27 HE2 MET 27 -10.240 14.173 -22.519 234 HE3 MET 27 HE3 MET 27 -9.035 15.366 -23.013 235 H GLN 28 HN GLN 28 -13.812 16.850 -20.518 236 HA GLN 28 HA GLN 28 -16.041 15.084 -20.158 237 HB2 GLN 28 HB2 GLN 28 -14.548 16.916 -18.247 238 HB3 GLN 28 HB1 GLN 28 -15.910 15.941 -17.719 239 HG2 GLN 28 HG2 GLN 28 -13.249 14.949 -18.766 240 HG3 GLN 28 HG1 GLN 28 -13.838 14.853 -17.110 241 HE21 GLN 28 HE21 GLN 28 -15.522 13.345 -16.641 242 HE22 GLN 28 HE22 GLN 28 -15.822 11.990 -17.666 243 H GLY 29 HN GLY 29 -15.652 18.499 -20.608 244 HA2 GLY 29 HA2 GLY 29 -17.636 19.509 -21.718 245 HA3 GLY 29 HA1 GLY 29 -18.597 18.903 -20.372 246 H PHE 30 HN PHE 30 -15.436 20.563 -20.568 247 HA PHE 30 HA PHE 30 -16.504 22.844 -18.987 248 HB2 PHE 30 HB2 PHE 30 -13.957 21.301 -18.260 249 HB3 PHE 30 HB1 PHE 30 -14.452 22.821 -17.530 250 HD1 PHE 30 HD2 PHE 30 -16.519 22.897 -16.088 251 HD2 PHE 30 HD1 PHE 30 -14.878 19.201 -17.481 252 HE1 PHE 30 HE2 PHE 30 -17.796 21.677 -14.382 253 HE2 PHE 30 HE1 PHE 30 -16.163 17.989 -15.771 254 HZ PHE 30 HZ PHE 30 -17.624 19.231 -14.220 255 H ASP 31 HN ASP 31 -14.722 24.562 -18.798 256 HA ASP 31 HA ASP 31 -12.599 24.605 -20.749 257 HB2 ASP 31 HB2 ASP 31 -14.487 25.420 -22.155 258 HB3 ASP 31 HB1 ASP 31 -14.881 26.644 -20.949 259 H LEU 32 HN LEU 32 -11.054 25.086 -19.313 260 HA LEU 32 HA LEU 32 -11.679 26.410 -16.816 261 HB2 LEU 32 HB2 LEU 32 -9.012 25.311 -17.785 262 HB3 LEU 32 HB1 LEU 32 -9.431 25.723 -16.128 263 HG LEU 32 HG LEU 32 -10.576 23.420 -17.764 264 HD11 LEU 32 HD11 LEU 32 -8.306 23.002 -16.940 265 HD12 LEU 32 HD12 LEU 32 -9.478 21.965 -16.134 266 HD13 LEU 32 HD13 LEU 32 -8.822 23.370 -15.291 267 HD21 LEU 32 HD21 LEU 32 -11.836 22.755 -15.752 268 HD22 LEU 32 HD22 LEU 32 -12.354 24.334 -16.332 269 HD23 LEU 32 HD23 LEU 32 -11.303 24.218 -14.920 270 HA PRO 33 HA PRO 33 -10.328 30.526 -18.088 271 HB2 PRO 33 HB2 PRO 33 -9.771 31.602 -15.600 272 HB3 PRO 33 HB1 PRO 33 -11.413 31.380 -16.223 273 HG2 PRO 33 HG2 PRO 33 -9.831 29.598 -14.366 274 HG3 PRO 33 HG1 PRO 33 -11.517 30.147 -14.221 275 HD2 PRO 33 HD2 PRO 33 -10.929 27.690 -15.152 276 HD3 PRO 33 HD1 PRO 33 -12.281 28.623 -15.835 277 H GLN 34 HN GLN 34 -8.410 31.718 -18.420 278 HA GLN 34 HA GLN 34 -5.938 30.135 -17.989 279 HB2 GLN 34 HB2 GLN 34 -6.568 32.079 -20.255 280 HB3 GLN 34 HB1 GLN 34 -5.134 31.070 -20.122 281 HG2 GLN 34 HG2 GLN 34 -7.966 30.037 -20.449 282 HG3 GLN 34 HG1 GLN 34 -6.801 30.215 -21.759 283 HE21 GLN 34 HE21 GLN 34 -5.002 28.806 -21.824 284 HE22 GLN 34 HE22 GLN 34 -4.999 27.298 -20.983 285 H SER 35 HN SER 35 -6.832 33.575 -18.624 286 HA SER 35 HA SER 35 -4.172 34.403 -18.416 287 HB2 SER 35 HB2 SER 35 -6.712 36.035 -18.528 288 HB3 SER 35 HB1 SER 35 -5.093 36.708 -18.701 289 HG SER 35 HG SER 35 -5.130 34.722 -20.360 290 HA PRO 36 HA PRO 36 -5.183 36.788 -14.235 291 HB2 PRO 36 HB2 PRO 36 -6.880 35.429 -12.482 292 HB3 PRO 36 HB1 PRO 36 -7.348 36.796 -13.497 293 HG2 PRO 36 HG2 PRO 36 -7.721 33.859 -13.963 294 HG3 PRO 36 HG1 PRO 36 -8.839 35.191 -14.297 295 HD2 PRO 36 HD2 PRO 36 -7.410 34.015 -16.274 296 HD3 PRO 36 HD1 PRO 36 -7.756 35.755 -16.296 297 H GLN 37 HN GLN 37 -4.846 33.313 -14.501 298 HA GLN 37 HA GLN 37 -2.875 32.231 -14.267 299 HB2 GLN 37 HB2 GLN 37 -2.062 34.188 -12.095 300 HB3 GLN 37 HB1 GLN 37 -1.103 32.787 -12.547 301 HG2 GLN 37 HG2 GLN 37 -1.816 35.117 -14.361 302 HG3 GLN 37 HG1 GLN 37 -0.256 34.838 -13.587 303 HE21 GLN 37 HE21 GLN 37 1.116 33.224 -14.416 304 HE22 GLN 37 HE22 GLN 37 0.848 32.491 -15.960 305 HA PRO 38 HA PRO 38 -3.210 30.125 -9.955 306 HB2 PRO 38 HB2 PRO 38 -4.767 31.041 -7.924 307 HB3 PRO 38 HB1 PRO 38 -3.151 31.703 -8.223 308 HG2 PRO 38 HG2 PRO 38 -5.823 32.787 -9.154 309 HG3 PRO 38 HG1 PRO 38 -4.526 33.646 -8.287 310 HD2 PRO 38 HD2 PRO 38 -4.765 33.834 -10.961 311 HD3 PRO 38 HD1 PRO 38 -3.157 33.761 -10.202 312 H VAL 39 HN VAL 39 -5.932 31.443 -11.470 313 HA VAL 39 HA VAL 39 -8.092 29.912 -10.570 314 HB VAL 39 HB VAL 39 -9.203 30.645 -12.686 315 HG11 VAL 39 HG11 VAL 39 -9.179 32.173 -10.769 316 HG12 VAL 39 HG12 VAL 39 -9.063 33.090 -12.270 317 HG13 VAL 39 HG13 VAL 39 -7.624 32.836 -11.280 318 HG21 VAL 39 HG21 VAL 39 -7.286 30.442 -14.235 319 HG22 VAL 39 HG22 VAL 39 -6.474 31.789 -13.434 320 HG23 VAL 39 HG23 VAL 39 -7.979 32.062 -14.314 321 H ARG 40 HN ARG 40 -5.580 29.252 -12.942 322 HA ARG 40 HA ARG 40 -6.845 27.105 -14.328 323 HB2 ARG 40 HB2 ARG 40 -3.851 27.566 -14.015 324 HB3 ARG 40 HB1 ARG 40 -4.646 26.631 -15.279 325 HG2 ARG 40 HG2 ARG 40 -5.793 28.979 -15.803 326 HG3 ARG 40 HG1 ARG 40 -4.377 29.608 -14.968 327 HD2 ARG 40 HD2 ARG 40 -3.917 29.555 -17.334 328 HD3 ARG 40 HD1 ARG 40 -2.936 28.299 -16.562 329 HE ARG 40 HE ARG 40 -5.541 27.655 -17.808 330 HH11 ARG 40 HH11 ARG 40 -2.088 27.084 -17.649 331 HH12 ARG 40 HH12 ARG 40 -2.139 25.780 -18.796 332 HH21 ARG 40 HH21 ARG 40 -5.614 25.937 -19.260 333 HH22 ARG 40 HH22 ARG 40 -4.143 25.121 -19.700 334 H VAL 41 HN VAL 41 -4.364 27.265 -11.844 335 HA VAL 41 HA VAL 41 -3.875 24.551 -11.409 336 HB VAL 41 HB VAL 41 -3.521 26.976 -9.575 337 HG11 VAL 41 HG11 VAL 41 -3.475 24.949 -8.192 338 HG12 VAL 41 HG12 VAL 41 -1.869 25.664 -8.293 339 HG13 VAL 41 HG13 VAL 41 -2.258 24.228 -9.246 340 HG21 VAL 41 HG21 VAL 41 -2.279 27.106 -11.710 341 HG22 VAL 41 HG22 VAL 41 -1.513 25.548 -11.375 342 HG23 VAL 41 HG23 VAL 41 -1.173 26.944 -10.346 343 H LYS 42 HN LYS 42 -6.118 26.774 -9.810 344 HA LYS 42 HA LYS 42 -7.047 24.853 -7.868 345 HB2 LYS 42 HB2 LYS 42 -6.879 27.457 -7.691 346 HB3 LYS 42 HB1 LYS 42 -8.424 27.484 -8.523 347 HG2 LYS 42 HG2 LYS 42 -8.033 25.890 -5.978 348 HG3 LYS 42 HG1 LYS 42 -8.383 27.612 -5.925 349 HD2 LYS 42 HD2 LYS 42 -10.162 25.458 -7.138 350 HD3 LYS 42 HD1 LYS 42 -10.432 26.295 -5.607 351 HE2 LYS 42 HE2 LYS 42 -10.455 27.559 -8.373 352 HE3 LYS 42 HE1 LYS 42 -11.863 27.245 -7.360 353 HZ1 LYS 42 HZ1 LYS 42 -10.975 28.800 -5.732 354 HZ2 LYS 42 HZ2 LYS 42 -11.197 29.545 -7.234 355 HZ3 LYS 42 HZ3 LYS 42 -9.641 29.112 -6.728 356 H ALA 43 HN ALA 43 -8.191 26.020 -11.031 357 HA ALA 43 HA ALA 43 -10.809 24.881 -10.951 358 HB1 ALA 43 HB1 ALA 43 -10.219 26.638 -12.569 359 HB2 ALA 43 HB2 ALA 43 -10.856 25.213 -13.391 360 HB3 ALA 43 HB3 ALA 43 -9.118 25.527 -13.390 361 H VAL 44 HN VAL 44 -7.702 23.697 -12.173 362 HA VAL 44 HA VAL 44 -8.552 21.194 -13.167 363 HB VAL 44 HB VAL 44 -5.825 22.063 -12.088 364 HG11 VAL 44 HG11 VAL 44 -6.492 19.523 -13.632 365 HG12 VAL 44 HG12 VAL 44 -5.988 19.609 -11.946 366 HG13 VAL 44 HG13 VAL 44 -4.867 20.083 -13.220 367 HG21 VAL 44 HG21 VAL 44 -5.188 22.228 -14.464 368 HG22 VAL 44 HG22 VAL 44 -6.563 23.271 -14.117 369 HG23 VAL 44 HG23 VAL 44 -6.813 21.738 -14.955 370 H TYR 45 HN TYR 45 -7.280 22.185 -9.971 371 HA TYR 45 HA TYR 45 -7.442 19.817 -8.547 372 HB2 TYR 45 HB2 TYR 45 -6.492 21.630 -7.404 373 HB3 TYR 45 HB1 TYR 45 -7.816 22.714 -7.791 374 HD1 TYR 45 HD1 TYR 45 -6.848 19.843 -5.583 375 HD2 TYR 45 HD2 TYR 45 -9.623 23.026 -6.269 376 HE1 TYR 45 HE1 TYR 45 -7.846 19.468 -3.359 377 HE2 TYR 45 HE2 TYR 45 -10.604 22.652 -4.058 378 HH TYR 45 HH TYR 45 -10.821 20.900 -2.437 379 H LEU 46 HN LEU 46 -10.097 22.214 -8.939 380 HA LEU 46 HA LEU 46 -12.102 20.917 -7.496 381 HB2 LEU 46 HB2 LEU 46 -12.400 22.683 -9.956 382 HB3 LEU 46 HB1 LEU 46 -13.735 22.208 -8.916 383 HG LEU 46 HG LEU 46 -11.388 23.970 -8.119 384 HD11 LEU 46 HD11 LEU 46 -12.983 25.114 -9.578 385 HD12 LEU 46 HD12 LEU 46 -13.050 25.762 -7.940 386 HD13 LEU 46 HD13 LEU 46 -14.312 24.666 -8.505 387 HD21 LEU 46 HD21 LEU 46 -12.574 24.303 -5.971 388 HD22 LEU 46 HD22 LEU 46 -12.059 22.634 -6.191 389 HD23 LEU 46 HD23 LEU 46 -13.752 23.070 -6.435 390 H PHE 47 HN PHE 47 -11.435 20.813 -10.973 391 HA PHE 47 HA PHE 47 -13.345 18.998 -11.831 392 HB2 PHE 47 HB2 PHE 47 -12.167 20.124 -13.550 393 HB3 PHE 47 HB1 PHE 47 -10.593 19.754 -12.854 394 HD1 PHE 47 HD1 PHE 47 -13.566 17.919 -14.302 395 HD2 PHE 47 HD2 PHE 47 -9.307 18.138 -13.958 396 HE1 PHE 47 HE1 PHE 47 -13.335 15.963 -15.771 397 HE2 PHE 47 HE2 PHE 47 -9.088 16.192 -15.436 398 HZ PHE 47 HZ PHE 47 -11.104 15.094 -16.341 399 H LEU 48 HN LEU 48 -10.036 18.308 -10.671 400 HA LEU 48 HA LEU 48 -10.125 15.514 -11.094 401 HB2 LEU 48 HB2 LEU 48 -8.337 17.133 -9.258 402 HB3 LEU 48 HB1 LEU 48 -8.100 15.431 -9.625 403 HG LEU 48 HG LEU 48 -7.876 17.737 -11.597 404 HD11 LEU 48 HD11 LEU 48 -5.495 17.167 -11.677 405 HD12 LEU 48 HD12 LEU 48 -5.740 15.919 -10.452 406 HD13 LEU 48 HD13 LEU 48 -5.994 17.619 -10.048 407 HD21 LEU 48 HD21 LEU 48 -7.462 14.777 -12.109 408 HD22 LEU 48 HD22 LEU 48 -7.117 16.083 -13.245 409 HD23 LEU 48 HD23 LEU 48 -8.775 15.772 -12.744 410 H VAL 49 HN VAL 49 -11.007 17.510 -8.283 411 HA VAL 49 HA VAL 49 -11.325 15.328 -6.452 412 HB VAL 49 HB VAL 49 -12.634 18.098 -6.360 413 HG11 VAL 49 HG11 VAL 49 -12.386 15.998 -4.158 414 HG12 VAL 49 HG12 VAL 49 -13.878 16.475 -4.982 415 HG13 VAL 49 HG13 VAL 49 -13.034 17.634 -3.957 416 HG21 VAL 49 HG21 VAL 49 -10.165 18.203 -6.269 417 HG22 VAL 49 HG22 VAL 49 -10.150 17.065 -4.921 418 HG23 VAL 49 HG23 VAL 49 -10.872 18.665 -4.721 419 H ASP 50 HN ASP 50 -13.569 17.143 -8.525 420 HA ASP 50 HA ASP 50 -15.931 15.702 -7.899 421 HB2 ASP 50 HB2 ASP 50 -15.166 17.517 -10.208 422 HB3 ASP 50 HB1 ASP 50 -16.765 16.803 -10.082 423 H ALA 51 HN ALA 51 -13.334 15.128 -10.164 424 HA ALA 51 HA ALA 51 -14.721 12.949 -11.558 425 HB1 ALA 51 HB1 ALA 51 -12.708 12.882 -12.991 426 HB2 ALA 51 HB2 ALA 51 -11.932 14.087 -11.962 427 HB3 ALA 51 HB3 ALA 51 -13.366 14.518 -12.892 428 H LYS 52 HN LYS 52 -13.290 13.232 -8.655 429 HA LYS 52 HA LYS 52 -12.612 11.822 -7.042 430 HB2 LYS 52 HB2 LYS 52 -13.479 9.641 -8.978 431 HB3 LYS 52 HB1 LYS 52 -13.172 9.403 -7.262 432 HG2 LYS 52 HG2 LYS 52 -15.343 11.181 -8.434 433 HG3 LYS 52 HG1 LYS 52 -15.593 9.566 -7.773 434 HD2 LYS 52 HD2 LYS 52 -14.579 11.970 -6.186 435 HD3 LYS 52 HD1 LYS 52 -16.241 11.377 -6.179 436 HE2 LYS 52 HE2 LYS 52 -13.794 9.868 -5.191 437 HE3 LYS 52 HE1 LYS 52 -15.063 10.580 -4.194 438 HZ1 LYS 52 HZ1 LYS 52 -15.439 8.247 -4.407 439 HZ2 LYS 52 HZ2 LYS 52 -15.362 8.320 -6.094 440 HZ3 LYS 52 HZ3 LYS 52 -16.645 9.055 -5.276 441 H GLN 53 HN GLN 53 -10.819 12.541 -9.364 442 HA GLN 53 HA GLN 53 -8.754 10.601 -9.610 443 HB2 GLN 53 HB2 GLN 53 -8.643 13.616 -10.031 444 HB3 GLN 53 HB1 GLN 53 -7.493 12.445 -10.652 445 HG2 GLN 53 HG2 GLN 53 -10.413 12.577 -11.439 446 HG3 GLN 53 HG1 GLN 53 -9.089 13.282 -12.363 447 HE21 GLN 53 HE21 GLN 53 -11.069 11.143 -13.008 448 HE22 GLN 53 HE22 GLN 53 -10.112 9.814 -13.554 449 H ILE 54 HN ILE 54 -9.259 13.457 -7.548 450 HA ILE 54 HA ILE 54 -7.234 12.445 -5.633 451 HB ILE 54 HB ILE 54 -6.649 14.817 -5.006 452 HG12 ILE 54 HG12 ILE 54 -8.230 15.533 -7.519 453 HG13 ILE 54 HG11 ILE 54 -8.667 15.961 -5.869 454 HG21 ILE 54 HG21 ILE 54 -5.127 15.258 -6.894 455 HG22 ILE 54 HG22 ILE 54 -6.023 14.109 -7.890 456 HG23 ILE 54 HG23 ILE 54 -5.147 13.547 -6.466 457 HD11 ILE 54 HD11 ILE 54 -7.759 17.851 -7.078 458 HD12 ILE 54 HD12 ILE 54 -6.264 16.968 -7.385 459 HD13 ILE 54 HD13 ILE 54 -6.705 17.413 -5.733 460 H ALA 55 HN ALA 55 -7.539 13.376 -3.471 461 HA ALA 55 HA ALA 55 -10.305 13.500 -2.589 462 HB1 ALA 55 HB1 ALA 55 -9.293 13.457 -0.317 463 HB2 ALA 55 HB2 ALA 55 -7.680 13.560 -1.029 464 HB3 ALA 55 HB3 ALA 55 -8.683 12.135 -1.316 465 HA PRO 56 HA PRO 56 -10.150 18.031 -2.265 466 HB2 PRO 56 HB2 PRO 56 -12.053 18.519 -0.371 467 HB3 PRO 56 HB1 PRO 56 -12.459 17.965 -2.001 468 HG2 PRO 56 HG2 PRO 56 -12.236 16.358 0.540 469 HG3 PRO 56 HG1 PRO 56 -13.502 16.311 -0.708 470 HD2 PRO 56 HD2 PRO 56 -11.465 14.491 -0.608 471 HD3 PRO 56 HD1 PRO 56 -12.224 14.991 -2.137 472 H LEU 57 HN LEU 57 -9.191 19.592 -1.037 473 HA LEU 57 HA LEU 57 -7.790 18.954 1.424 474 HB2 LEU 57 HB2 LEU 57 -7.973 21.467 -0.279 475 HB3 LEU 57 HB1 LEU 57 -6.955 21.328 1.148 476 HG LEU 57 HG LEU 57 -6.640 19.540 -1.295 477 HD11 LEU 57 HD11 LEU 57 -4.746 20.959 -1.954 478 HD12 LEU 57 HD12 LEU 57 -5.133 22.089 -0.655 479 HD13 LEU 57 HD13 LEU 57 -6.267 21.848 -1.985 480 HD21 LEU 57 HD21 LEU 57 -4.409 19.060 -0.349 481 HD22 LEU 57 HD22 LEU 57 -5.687 18.601 0.774 482 HD23 LEU 57 HD23 LEU 57 -4.769 20.085 1.044 483 HA PRO 58 HA PRO 58 -10.904 21.028 4.045 484 HB2 PRO 58 HB2 PRO 58 -9.337 22.003 6.072 485 HB3 PRO 58 HB1 PRO 58 -9.717 20.281 5.909 486 HG2 PRO 58 HG2 PRO 58 -7.236 21.759 5.029 487 HG3 PRO 58 HG1 PRO 58 -7.368 20.227 5.927 488 HD2 PRO 58 HD2 PRO 58 -6.914 20.272 3.255 489 HD3 PRO 58 HD1 PRO 58 -7.901 19.002 4.011 490 H ASP 59 HN ASP 59 -11.711 23.135 4.398 491 HA ASP 59 HA ASP 59 -10.799 25.278 2.756 492 HB2 ASP 59 HB2 ASP 59 -12.766 25.333 5.090 493 HB3 ASP 59 HB1 ASP 59 -12.554 26.633 3.920 494 H SER 60 HN SER 60 -10.142 24.313 6.023 495 HA SER 60 HA SER 60 -8.973 26.599 7.131 496 HB2 SER 60 HB2 SER 60 -9.432 24.527 8.420 497 HB3 SER 60 HB1 SER 60 -8.170 23.680 7.524 498 HG SER 60 HG SER 60 -6.831 24.431 8.954 499 H LYS 61 HN LYS 61 -7.595 24.091 4.999 500 HA LYS 61 HA LYS 61 -5.168 25.698 4.581 501 HB2 LYS 61 HB2 LYS 61 -5.904 22.935 3.527 502 HB3 LYS 61 HB1 LYS 61 -4.383 23.760 3.211 503 HG2 LYS 61 HG2 LYS 61 -5.343 22.932 5.972 504 HG3 LYS 61 HG1 LYS 61 -4.276 21.967 4.965 505 HD2 LYS 61 HD2 LYS 61 -2.743 23.004 6.373 506 HD3 LYS 61 HD1 LYS 61 -2.729 24.112 5.006 507 HE2 LYS 61 HE2 LYS 61 -4.265 25.622 6.235 508 HE3 LYS 61 HE1 LYS 61 -4.273 24.502 7.600 509 HZ1 LYS 61 HZ1 LYS 61 -2.734 26.362 7.901 510 HZ2 LYS 61 HZ2 LYS 61 -1.868 25.872 6.530 511 HZ3 LYS 61 HZ3 LYS 61 -1.923 24.873 7.896 512 H LEU 62 HN LEU 62 -6.646 23.806 1.974 513 HA LEU 62 HA LEU 62 -7.096 24.301 -0.185 514 HB2 LEU 62 HB2 LEU 62 -9.044 25.446 1.436 515 HB3 LEU 62 HB1 LEU 62 -8.596 26.812 0.444 516 HG LEU 62 HG LEU 62 -10.604 25.552 -0.395 517 HD11 LEU 62 HD11 LEU 62 -9.318 26.893 -1.986 518 HD12 LEU 62 HD12 LEU 62 -9.986 25.459 -2.760 519 HD13 LEU 62 HD13 LEU 62 -8.274 25.513 -2.335 520 HD21 LEU 62 HD21 LEU 62 -8.635 23.300 -0.923 521 HD22 LEU 62 HD22 LEU 62 -10.326 23.349 -1.440 522 HD23 LEU 62 HD23 LEU 62 -9.935 23.295 0.277 523 H ASP 63 HN ASP 63 -4.678 25.513 0.973 524 HA ASP 63 HA ASP 63 -4.238 28.134 -0.090 525 HB2 ASP 63 HB2 ASP 63 -2.986 27.502 1.866 526 HB3 ASP 63 HB1 ASP 63 -2.433 26.007 1.127 527 H GLY 64 HN GLY 64 -2.918 28.710 -1.867 528 HA2 GLY 64 HA2 GLY 64 -3.391 27.364 -4.258 529 HA3 GLY 64 HA1 GLY 64 -2.187 28.616 -4.030 530 H ALA 65 HN ALA 65 -0.531 27.206 -2.152 531 HA ALA 65 HA ALA 65 1.018 25.538 -3.919 532 HB1 ALA 65 HB1 ALA 65 2.582 25.336 -2.048 533 HB2 ALA 65 HB2 ALA 65 1.401 26.054 -0.951 534 HB3 ALA 65 HB3 ALA 65 2.083 27.019 -2.257 535 H ASN 66 HN ASN 66 -1.200 24.953 -1.182 536 HA ASN 66 HA ASN 66 -0.712 22.151 -0.896 537 HB2 ASN 66 HB2 ASN 66 -3.195 23.785 -0.194 538 HB3 ASN 66 HB1 ASN 66 -3.019 22.075 0.184 539 HD21 ASN 66 HD21 ASN 66 -0.463 24.567 0.470 540 HD22 ASN 66 HD22 ASN 66 -0.324 24.436 2.180 541 H ILE 67 HN ILE 67 -2.883 24.026 -2.946 542 HA ILE 67 HA ILE 67 -4.346 21.994 -4.221 543 HB ILE 67 HB ILE 67 -3.350 24.642 -5.401 544 HG12 ILE 67 HG12 ILE 67 -4.736 25.006 -3.364 545 HG13 ILE 67 HG11 ILE 67 -5.536 25.613 -4.801 546 HG21 ILE 67 HG21 ILE 67 -5.216 24.438 -7.010 547 HG22 ILE 67 HG22 ILE 67 -5.592 22.844 -6.356 548 HG23 ILE 67 HG23 ILE 67 -4.053 23.122 -7.168 549 HD11 ILE 67 HD11 ILE 67 -6.985 23.657 -4.827 550 HD12 ILE 67 HD12 ILE 67 -7.088 24.529 -3.298 551 HD13 ILE 67 HD13 ILE 67 -6.170 23.029 -3.394 552 H LYS 68 HN LYS 68 -1.239 23.520 -4.978 553 HA LYS 68 HA LYS 68 -0.594 22.161 -7.346 554 HB2 LYS 68 HB2 LYS 68 1.167 23.490 -5.253 555 HB3 LYS 68 HB1 LYS 68 1.786 22.876 -6.783 556 HG2 LYS 68 HG2 LYS 68 0.267 24.424 -7.997 557 HG3 LYS 68 HG1 LYS 68 -0.277 25.070 -6.449 558 HD2 LYS 68 HD2 LYS 68 2.066 25.774 -5.957 559 HD3 LYS 68 HD1 LYS 68 2.554 25.189 -7.549 560 HE2 LYS 68 HE2 LYS 68 1.014 26.825 -8.604 561 HE3 LYS 68 HE1 LYS 68 0.566 27.421 -7.004 562 HZ1 LYS 68 HZ1 LYS 68 3.268 27.532 -8.231 563 HZ2 LYS 68 HZ2 LYS 68 2.902 28.037 -6.659 564 HZ3 LYS 68 HZ3 LYS 68 2.221 28.836 -7.983 565 H HIS 69 HN HIS 69 -0.013 21.305 -3.948 566 HA HIS 69 HA HIS 69 1.654 19.067 -4.305 567 HB2 HIS 69 HB2 HIS 69 -0.351 19.762 -2.128 568 HB3 HIS 69 HB1 HIS 69 0.622 18.303 -2.063 569 HD1 HIS 69 HD1 HIS 69 2.008 21.659 -3.137 570 HD2 HIS 69 HD2 HIS 69 2.192 19.039 0.083 571 HE1 HIS 69 HE1 HIS 69 3.739 22.601 -1.600 572 HE2 HIS 69 HE2 HIS 69 3.988 20.887 0.215 573 H ARG 70 HN ARG 70 -1.906 19.293 -4.049 574 HA ARG 70 HA ARG 70 -2.610 16.619 -4.399 575 HB2 ARG 70 HB2 ARG 70 -4.040 19.197 -5.122 576 HB3 ARG 70 HB1 ARG 70 -4.762 17.643 -5.500 577 HG2 ARG 70 HG2 ARG 70 -4.043 18.617 -2.723 578 HG3 ARG 70 HG1 ARG 70 -5.663 18.567 -3.425 579 HD2 ARG 70 HD2 ARG 70 -5.259 16.029 -3.731 580 HD3 ARG 70 HD1 ARG 70 -3.894 16.237 -2.633 581 HE ARG 70 HE ARG 70 -6.670 16.951 -1.895 582 HH11 ARG 70 HH11 ARG 70 -3.627 15.441 -1.025 583 HH12 ARG 70 HH12 ARG 70 -4.218 14.852 0.499 584 HH21 ARG 70 HH21 ARG 70 -7.446 16.164 0.070 585 HH22 ARG 70 HH22 ARG 70 -6.397 15.245 1.110 586 H LEU 71 HN LEU 71 -2.190 19.129 -6.883 587 HA LEU 71 HA LEU 71 -2.858 17.578 -9.144 588 HB2 LEU 71 HB2 LEU 71 -1.004 19.990 -9.018 589 HB3 LEU 71 HB1 LEU 71 -1.783 19.362 -10.459 590 HG LEU 71 HG LEU 71 -3.099 20.788 -8.129 591 HD11 LEU 71 HD11 LEU 71 -2.974 21.493 -11.075 592 HD12 LEU 71 HD12 LEU 71 -2.035 22.246 -9.783 593 HD13 LEU 71 HD13 LEU 71 -3.788 22.421 -9.808 594 HD21 LEU 71 HD21 LEU 71 -4.494 19.400 -10.435 595 HD22 LEU 71 HD22 LEU 71 -5.263 20.493 -9.281 596 HD23 LEU 71 HD23 LEU 71 -4.588 18.964 -8.725 597 H ALA 72 HN ALA 72 0.185 18.132 -7.482 598 HA ALA 72 HA ALA 72 1.922 17.173 -9.516 599 HB1 ALA 72 HB1 ALA 72 3.670 17.404 -7.839 600 HB2 ALA 72 HB2 ALA 72 2.458 17.566 -6.564 601 HB3 ALA 72 HB3 ALA 72 2.599 18.805 -7.810 602 H LEU 73 HN LEU 73 0.905 15.726 -6.375 603 HA LEU 73 HA LEU 73 2.204 13.231 -6.839 604 HB2 LEU 73 HB2 LEU 73 0.044 14.021 -4.872 605 HB3 LEU 73 HB1 LEU 73 0.604 12.364 -5.007 606 HG LEU 73 HG LEU 73 3.008 13.453 -4.631 607 HD11 LEU 73 HD11 LEU 73 2.324 15.783 -4.684 608 HD12 LEU 73 HD12 LEU 73 2.994 15.373 -3.106 609 HD13 LEU 73 HD13 LEU 73 1.246 15.529 -3.310 610 HD21 LEU 73 HD21 LEU 73 2.818 13.034 -2.224 611 HD22 LEU 73 HD22 LEU 73 2.008 11.786 -3.167 612 HD23 LEU 73 HD23 LEU 73 1.055 13.030 -2.351 613 H TRP 74 HN TRP 74 -1.015 14.456 -7.613 614 HA TRP 74 HA TRP 74 -2.292 12.098 -8.417 615 HB2 TRP 74 HB2 TRP 74 -3.574 14.164 -8.314 616 HB3 TRP 74 HB1 TRP 74 -2.555 14.933 -9.524 617 HD1 TRP 74 HD1 TRP 74 -5.074 11.978 -9.286 618 HE1 TRP 74 HE1 TRP 74 -6.171 11.667 -11.592 619 HE3 TRP 74 HE3 TRP 74 -2.556 15.583 -11.893 620 HZ2 TRP 74 HZ2 TRP 74 -6.022 12.806 -14.145 621 HZ3 TRP 74 HZ3 TRP 74 -3.108 15.925 -14.268 622 HH2 TRP 74 HH2 TRP 74 -4.810 14.563 -15.370 623 H ILE 75 HN ILE 75 -0.483 14.414 -10.466 624 HA ILE 75 HA ILE 75 -0.691 12.824 -12.813 625 HB ILE 75 HB ILE 75 -0.443 15.328 -12.829 626 HG12 ILE 75 HG12 ILE 75 0.977 15.450 -14.859 627 HG13 ILE 75 HG11 ILE 75 1.665 13.869 -14.508 628 HG21 ILE 75 HG21 ILE 75 1.301 15.582 -11.146 629 HG22 ILE 75 HG22 ILE 75 1.803 16.328 -12.661 630 HG23 ILE 75 HG23 ILE 75 2.469 14.764 -12.187 631 HD11 ILE 75 HD11 ILE 75 -1.227 14.432 -15.168 632 HD12 ILE 75 HD12 ILE 75 -0.522 12.840 -14.868 633 HD13 ILE 75 HD13 ILE 75 -0.013 13.781 -16.268 634 H HIS 76 HN HIS 76 1.634 12.957 -10.201 635 HA HIS 76 HA HIS 76 3.766 11.603 -11.523 636 HB2 HIS 76 HB2 HIS 76 3.744 12.930 -9.214 637 HB3 HIS 76 HB1 HIS 76 3.364 11.358 -8.518 638 HD1 HIS 76 HD1 HIS 76 5.689 11.263 -7.315 639 HD2 HIS 76 HD2 HIS 76 5.937 11.632 -11.441 640 HE1 HIS 76 HE1 HIS 76 8.103 10.919 -7.884 641 HE2 HIS 76 HE2 HIS 76 8.187 10.924 -10.402 642 H ALA 77 HN ALA 77 0.974 10.514 -9.622 643 HA ALA 77 HA ALA 77 1.519 7.691 -9.911 644 HB1 ALA 77 HB1 ALA 77 0.211 8.579 -8.029 645 HB2 ALA 77 HB2 ALA 77 -0.727 7.399 -8.944 646 HB3 ALA 77 HB3 ALA 77 -1.044 9.126 -9.142 647 H ALA 78 HN ALA 78 -0.183 10.102 -11.811 648 HA ALA 78 HA ALA 78 -1.772 8.312 -13.400 649 HB1 ALA 78 HB1 ALA 78 -2.448 10.655 -12.990 650 HB2 ALA 78 HB2 ALA 78 -2.354 10.296 -14.715 651 HB3 ALA 78 HB3 ALA 78 -1.067 11.218 -13.933 652 H LEU 79 HN LEU 79 1.391 9.803 -13.757 653 HA LEU 79 HA LEU 79 1.926 8.792 -16.405 654 HB2 LEU 79 HB2 LEU 79 3.782 9.907 -14.257 655 HB3 LEU 79 HB1 LEU 79 4.292 9.502 -15.889 656 HG LEU 79 HG LEU 79 2.270 11.671 -15.179 657 HD11 LEU 79 HD11 LEU 79 4.011 13.296 -15.846 658 HD12 LEU 79 HD12 LEU 79 5.165 11.979 -16.059 659 HD13 LEU 79 HD13 LEU 79 4.517 12.335 -14.458 660 HD21 LEU 79 HD21 LEU 79 1.816 10.689 -17.389 661 HD22 LEU 79 HD22 LEU 79 3.482 10.997 -17.881 662 HD23 LEU 79 HD23 LEU 79 2.398 12.346 -17.535 663 HA PRO 80 HA PRO 80 2.537 4.606 -14.647 664 HB2 PRO 80 HB2 PRO 80 3.196 3.312 -16.990 665 HB3 PRO 80 HB1 PRO 80 1.536 3.746 -16.558 666 HG2 PRO 80 HG2 PRO 80 3.475 5.236 -18.337 667 HG3 PRO 80 HG1 PRO 80 1.769 4.822 -18.639 668 HD2 PRO 80 HD2 PRO 80 2.459 7.277 -17.794 669 HD3 PRO 80 HD1 PRO 80 0.978 6.499 -17.201 670 H ASP 81 HN ASP 81 4.915 6.364 -16.534 671 HA ASP 81 HA ASP 81 7.162 4.664 -15.863 672 HB2 ASP 81 HB2 ASP 81 7.084 7.449 -17.105 673 HB3 ASP 81 HB1 ASP 81 8.514 6.429 -16.997 674 H ASN 82 HN ASN 82 5.420 7.105 -14.293 675 HA ASN 82 HA ASN 82 5.641 8.449 -12.504 676 HB2 ASN 82 HB2 ASN 82 5.841 6.189 -11.418 677 HB3 ASN 82 HB1 ASN 82 7.594 6.317 -11.516 678 HD21 ASN 82 HD21 ASN 82 4.700 7.756 -10.107 679 HD22 ASN 82 HD22 ASN 82 5.481 8.474 -8.747 680 H ASP 83 HN ASP 83 6.822 9.547 -14.430 681 HA ASP 83 HA ASP 83 9.590 9.906 -14.553 682 HB2 ASP 83 HB2 ASP 83 7.433 11.874 -15.448 683 HB3 ASP 83 HB1 ASP 83 9.084 11.790 -16.057 684 HA PRO 84 HA PRO 84 10.190 13.029 -11.249 685 HB2 PRO 84 HB2 PRO 84 12.712 13.856 -11.858 686 HB3 PRO 84 HB1 PRO 84 12.404 12.251 -11.172 687 HG2 PRO 84 HG2 PRO 84 12.817 13.018 -14.067 688 HG3 PRO 84 HG1 PRO 84 13.582 11.703 -13.145 689 HD2 PRO 84 HD2 PRO 84 11.448 11.269 -14.777 690 HD3 PRO 84 HD1 PRO 84 11.691 10.336 -13.286 691 H LEU 85 HN LEU 85 9.941 13.528 -14.591 692 HA LEU 85 HA LEU 85 9.734 15.180 -16.053 693 HB2 LEU 85 HB2 LEU 85 8.609 16.628 -13.639 694 HB3 LEU 85 HB1 LEU 85 8.629 17.331 -15.243 695 HG LEU 85 HG LEU 85 7.344 15.199 -15.994 696 HD11 LEU 85 HD11 LEU 85 7.601 13.864 -13.985 697 HD12 LEU 85 HD12 LEU 85 5.896 14.170 -14.302 698 HD13 LEU 85 HD13 LEU 85 6.733 15.073 -13.038 699 HD21 LEU 85 HD21 LEU 85 5.940 17.272 -14.291 700 HD22 LEU 85 HD22 LEU 85 5.190 16.235 -15.510 701 HD23 LEU 85 HD23 LEU 85 6.382 17.438 -15.993 702 H LYS 86 HN LYS 86 12.255 14.787 -14.784 703 HA LYS 86 HA LYS 86 13.517 17.437 -15.133 704 HB2 LYS 86 HB2 LYS 86 14.506 14.964 -13.627 705 HB3 LYS 86 HB1 LYS 86 15.438 16.432 -13.870 706 HG2 LYS 86 HG2 LYS 86 13.722 17.710 -12.572 707 HG3 LYS 86 HG1 LYS 86 12.854 16.196 -12.297 708 HD2 LYS 86 HD2 LYS 86 14.175 16.715 -10.323 709 HD3 LYS 86 HD1 LYS 86 14.849 15.287 -11.106 710 HE2 LYS 86 HE2 LYS 86 16.625 16.701 -12.117 711 HE3 LYS 86 HE1 LYS 86 15.948 18.116 -11.306 712 HZ1 LYS 86 HZ1 LYS 86 17.847 17.156 -10.120 713 HZ2 LYS 86 HZ2 LYS 86 17.000 15.704 -9.917 714 HZ3 LYS 86 HZ3 LYS 86 16.438 17.123 -9.187 Start of MODEL 20 1 H MET 1 HT1 MET 1 1.661 3.217 -1.910 2 HA MET 1 HA MET 1 1.546 1.495 -3.540 3 HB2 MET 1 HB2 MET 1 0.232 3.589 -3.914 4 HB3 MET 1 HB1 MET 1 1.569 4.269 -4.830 5 HG2 MET 1 HG2 MET 1 1.296 2.518 -6.536 6 HG3 MET 1 HG1 MET 1 -0.015 1.804 -5.598 7 HE1 MET 1 HE1 MET 1 -2.138 3.203 -8.473 8 HE2 MET 1 HE2 MET 1 -1.891 1.859 -7.359 9 HE3 MET 1 HE3 MET 1 -0.631 2.291 -8.522 10 H SER 2 HN SER 2 3.716 4.059 -4.837 11 HA SER 2 HA SER 2 5.700 2.119 -5.700 12 HB2 SER 2 HB2 SER 2 5.590 2.969 -8.105 13 HB3 SER 2 HB1 SER 2 4.242 1.953 -7.609 14 HG SER 2 HG SER 2 3.714 3.953 -8.759 15 H LYS 3 HN LYS 3 4.907 5.462 -6.762 16 HA LYS 3 HA LYS 3 6.177 7.334 -6.983 17 HB2 LYS 3 HB2 LYS 3 6.781 6.564 -4.101 18 HB3 LYS 3 HB1 LYS 3 7.229 8.126 -4.781 19 HG2 LYS 3 HG2 LYS 3 4.906 8.729 -5.101 20 HG3 LYS 3 HG1 LYS 3 4.361 7.105 -4.682 21 HD2 LYS 3 HD2 LYS 3 3.985 8.677 -2.820 22 HD3 LYS 3 HD1 LYS 3 5.130 7.415 -2.369 23 HE2 LYS 3 HE2 LYS 3 7.005 9.030 -2.776 24 HE3 LYS 3 HE1 LYS 3 5.808 10.284 -3.116 25 HZ1 LYS 3 HZ1 LYS 3 4.934 9.952 -0.866 26 HZ2 LYS 3 HZ2 LYS 3 6.552 10.441 -0.862 27 HZ3 LYS 3 HZ3 LYS 3 6.158 8.827 -0.557 28 H THR 4 HN THR 4 7.427 5.820 -8.499 29 HA THR 4 HA THR 4 9.881 4.623 -7.728 30 HB THR 4 HB THR 4 10.238 4.281 -10.176 31 HG1 THR 4 HG1 THR 4 8.849 5.211 -11.642 32 HG21 THR 4 HG21 THR 4 7.359 3.762 -9.326 33 HG22 THR 4 HG22 THR 4 8.732 2.711 -8.971 34 HG23 THR 4 HG23 THR 4 8.213 2.950 -10.640 35 H ALA 5 HN ALA 5 9.223 7.574 -9.700 36 HA ALA 5 HA ALA 5 11.947 8.571 -9.374 37 HB1 ALA 5 HB1 ALA 5 11.189 10.468 -10.761 38 HB2 ALA 5 HB2 ALA 5 9.530 9.867 -10.675 39 HB3 ALA 5 HB3 ALA 5 10.768 8.919 -11.495 40 H LYS 6 HN LYS 6 9.764 8.295 -7.152 41 HA LYS 6 HA LYS 6 9.179 9.167 -5.184 42 HB2 LYS 6 HB2 LYS 6 11.434 11.200 -5.444 43 HB3 LYS 6 HB1 LYS 6 10.757 10.522 -3.967 44 HG2 LYS 6 HG2 LYS 6 12.441 9.047 -6.022 45 HG3 LYS 6 HG1 LYS 6 12.986 9.613 -4.440 46 HD2 LYS 6 HD2 LYS 6 11.512 8.025 -3.313 47 HD3 LYS 6 HD1 LYS 6 10.785 7.548 -4.849 48 HE2 LYS 6 HE2 LYS 6 12.415 5.882 -4.035 49 HE3 LYS 6 HE1 LYS 6 12.900 6.567 -5.586 50 HZ1 LYS 6 HZ1 LYS 6 14.405 8.047 -4.377 51 HZ2 LYS 6 HZ2 LYS 6 14.769 6.421 -4.112 52 HZ3 LYS 6 HZ3 LYS 6 13.967 7.311 -2.920 53 H LEU 7 HN LEU 7 10.403 12.220 -6.423 54 HA LEU 7 HA LEU 7 8.530 13.503 -7.792 55 HB2 LEU 7 HB2 LEU 7 6.836 13.075 -6.007 56 HB3 LEU 7 HB1 LEU 7 7.812 13.932 -4.842 57 HG LEU 7 HG LEU 7 6.834 15.425 -7.295 58 HD11 LEU 7 HD11 LEU 7 4.712 16.010 -6.204 59 HD12 LEU 7 HD12 LEU 7 5.078 14.898 -4.880 60 HD13 LEU 7 HD13 LEU 7 4.826 14.277 -6.513 61 HD21 LEU 7 HD21 LEU 7 8.353 16.614 -5.764 62 HD22 LEU 7 HD22 LEU 7 7.247 16.334 -4.420 63 HD23 LEU 7 HD23 LEU 7 6.761 17.369 -5.766 64 H ASN 8 HN ASN 8 9.495 15.470 -8.338 65 HA ASN 8 HA ASN 8 11.006 17.025 -6.417 66 HB2 ASN 8 HB2 ASN 8 12.715 15.340 -7.153 67 HB3 ASN 8 HB1 ASN 8 12.499 15.863 -8.820 68 HD21 ASN 8 HD21 ASN 8 14.626 16.558 -9.061 69 HD22 ASN 8 HD22 ASN 8 15.275 17.939 -8.250 70 H ASN 9 HN ASN 9 11.238 19.122 -7.027 71 HA ASN 9 HA ASN 9 10.543 21.091 -7.851 72 HB2 ASN 9 HB2 ASN 9 12.313 20.547 -9.565 73 HB3 ASN 9 HB1 ASN 9 11.056 19.869 -10.603 74 HD21 ASN 9 HD21 ASN 9 11.525 21.407 -12.231 75 HD22 ASN 9 HD22 ASN 9 11.055 23.063 -12.099 76 H GLU 10 HN GLU 10 8.460 20.797 -7.053 77 HA GLU 10 HA GLU 10 6.298 19.461 -8.101 78 HB2 GLU 10 HB2 GLU 10 6.436 20.475 -5.837 79 HB3 GLU 10 HB1 GLU 10 6.287 22.084 -6.544 80 HG2 GLU 10 HG2 GLU 10 4.020 21.537 -7.329 81 HG3 GLU 10 HG1 GLU 10 4.168 19.911 -6.664 82 H GLU 11 HN GLU 11 7.484 22.665 -8.927 83 HA GLU 11 HA GLU 11 5.678 23.943 -10.453 84 HB2 GLU 11 HB2 GLU 11 8.004 24.681 -10.118 85 HB3 GLU 11 HB1 GLU 11 8.584 23.403 -11.173 86 HG2 GLU 11 HG2 GLU 11 6.921 24.691 -12.908 87 HG3 GLU 11 HG1 GLU 11 7.351 26.041 -11.859 88 H LYS 12 HN LYS 12 7.752 21.333 -11.735 89 HA LYS 12 HA LYS 12 6.803 21.258 -14.386 90 HB2 LYS 12 HB2 LYS 12 8.043 19.022 -12.712 91 HB3 LYS 12 HB1 LYS 12 7.851 18.973 -14.462 92 HG2 LYS 12 HG2 LYS 12 9.577 20.953 -12.932 93 HG3 LYS 12 HG1 LYS 12 10.165 19.514 -13.773 94 HD2 LYS 12 HD2 LYS 12 8.791 21.905 -15.076 95 HD3 LYS 12 HD1 LYS 12 10.525 21.574 -15.101 96 HE2 LYS 12 HE2 LYS 12 10.089 19.472 -16.359 97 HE3 LYS 12 HE1 LYS 12 8.362 19.842 -16.357 98 HZ1 LYS 12 HZ1 LYS 12 9.368 20.494 -18.423 99 HZ2 LYS 12 HZ2 LYS 12 10.493 21.466 -17.618 100 HZ3 LYS 12 HZ3 LYS 12 8.853 21.869 -17.585 101 H LEU 13 HN LEU 13 5.888 19.437 -11.509 102 HA LEU 13 HA LEU 13 4.088 17.648 -12.785 103 HB2 LEU 13 HB2 LEU 13 4.405 18.382 -9.861 104 HB3 LEU 13 HB1 LEU 13 3.335 17.122 -10.453 105 HG LEU 13 HG LEU 13 5.534 16.138 -11.561 106 HD11 LEU 13 HD11 LEU 13 7.026 17.999 -11.049 107 HD12 LEU 13 HD12 LEU 13 7.585 16.509 -10.292 108 HD13 LEU 13 HD13 LEU 13 6.778 17.743 -9.319 109 HD21 LEU 13 HD21 LEU 13 4.241 14.968 -9.875 110 HD22 LEU 13 HD22 LEU 13 5.027 15.891 -8.593 111 HD23 LEU 13 HD23 LEU 13 5.966 14.768 -9.581 112 H VAL 14 HN VAL 14 3.640 20.746 -11.153 113 HA VAL 14 HA VAL 14 0.819 20.838 -11.098 114 HB VAL 14 HB VAL 14 2.778 23.173 -11.332 115 HG11 VAL 14 HG11 VAL 14 0.956 24.572 -10.372 116 HG12 VAL 14 HG12 VAL 14 -0.138 23.187 -10.425 117 HG13 VAL 14 HG13 VAL 14 0.483 23.880 -11.925 118 HG21 VAL 14 HG21 VAL 14 3.233 21.783 -9.357 119 HG22 VAL 14 HG22 VAL 14 1.554 21.923 -8.845 120 HG23 VAL 14 HG23 VAL 14 2.587 23.353 -8.879 121 H LYS 15 HN LYS 15 3.190 22.128 -13.443 122 HA LYS 15 HA LYS 15 1.479 23.227 -15.328 123 HB2 LYS 15 HB2 LYS 15 4.217 21.949 -15.668 124 HB3 LYS 15 HB1 LYS 15 3.407 22.834 -16.959 125 HG2 LYS 15 HG2 LYS 15 3.468 24.893 -15.653 126 HG3 LYS 15 HG1 LYS 15 4.138 24.035 -14.263 127 HD2 LYS 15 HD2 LYS 15 6.196 23.565 -15.470 128 HD3 LYS 15 HD1 LYS 15 5.528 24.227 -16.962 129 HE2 LYS 15 HE2 LYS 15 5.480 26.469 -15.973 130 HE3 LYS 15 HE1 LYS 15 6.066 25.824 -14.435 131 HZ1 LYS 15 HZ1 LYS 15 8.098 25.156 -15.520 132 HZ2 LYS 15 HZ2 LYS 15 7.840 26.811 -15.739 133 HZ3 LYS 15 HZ3 LYS 15 7.538 25.736 -17.005 134 H LYS 16 HN LYS 16 2.775 19.880 -15.217 135 HA LYS 16 HA LYS 16 1.474 19.030 -17.620 136 HB2 LYS 16 HB2 LYS 16 3.533 17.947 -16.706 137 HB3 LYS 16 HB1 LYS 16 2.584 17.308 -15.375 138 HG2 LYS 16 HG2 LYS 16 2.952 15.559 -17.029 139 HG3 LYS 16 HG1 LYS 16 1.237 15.964 -16.972 140 HD2 LYS 16 HD2 LYS 16 1.887 15.675 -19.292 141 HD3 LYS 16 HD1 LYS 16 1.533 17.381 -19.017 142 HE2 LYS 16 HE2 LYS 16 3.981 17.822 -18.810 143 HE3 LYS 16 HE1 LYS 16 4.301 16.125 -19.176 144 HZ1 LYS 16 HZ1 LYS 16 4.533 17.466 -21.137 145 HZ2 LYS 16 HZ2 LYS 16 2.977 18.097 -20.952 146 HZ3 LYS 16 HZ3 LYS 16 3.186 16.462 -21.323 147 H ALA 17 HN ALA 17 0.530 19.059 -14.233 148 HA ALA 17 HA ALA 17 -1.811 17.425 -14.524 149 HB1 ALA 17 HB1 ALA 17 -2.464 18.297 -12.324 150 HB2 ALA 17 HB2 ALA 17 -1.176 19.505 -12.411 151 HB3 ALA 17 HB3 ALA 17 -0.773 17.791 -12.334 152 H LEU 18 HN LEU 18 -1.088 20.824 -15.053 153 HA LEU 18 HA LEU 18 -3.814 21.687 -15.422 154 HB2 LEU 18 HB2 LEU 18 -1.264 23.008 -16.440 155 HB3 LEU 18 HB1 LEU 18 -2.853 23.753 -16.349 156 HG LEU 18 HG LEU 18 -1.066 22.974 -14.024 157 HD11 LEU 18 HD11 LEU 18 -1.042 25.358 -13.485 158 HD12 LEU 18 HD12 LEU 18 -2.033 25.701 -14.907 159 HD13 LEU 18 HD13 LEU 18 -0.402 25.055 -15.099 160 HD21 LEU 18 HD21 LEU 18 -3.889 24.055 -13.880 161 HD22 LEU 18 HD22 LEU 18 -2.786 23.843 -12.517 162 HD23 LEU 18 HD23 LEU 18 -3.357 22.437 -13.409 163 H GLU 19 HN GLU 19 -1.221 20.476 -17.483 164 HA GLU 19 HA GLU 19 -2.454 20.857 -20.007 165 HB2 GLU 19 HB2 GLU 19 -0.355 18.821 -19.136 166 HB3 GLU 19 HB1 GLU 19 -0.808 19.123 -20.813 167 HG2 GLU 19 HG2 GLU 19 0.036 21.418 -20.662 168 HG3 GLU 19 HG1 GLU 19 0.403 21.192 -18.952 169 H ILE 20 HN ILE 20 -2.174 17.946 -18.000 170 HA ILE 20 HA ILE 20 -3.813 16.295 -19.630 171 HB ILE 20 HB ILE 20 -2.888 15.873 -16.752 172 HG12 ILE 20 HG12 ILE 20 -0.977 16.084 -18.306 173 HG13 ILE 20 HG11 ILE 20 -1.112 14.429 -17.736 174 HG21 ILE 20 HG21 ILE 20 -3.359 13.456 -17.125 175 HG22 ILE 20 HG22 ILE 20 -4.060 13.850 -18.696 176 HG23 ILE 20 HG23 ILE 20 -4.819 14.444 -17.220 177 HD11 ILE 20 HD11 ILE 20 -1.990 15.453 -20.428 178 HD12 ILE 20 HD12 ILE 20 -2.133 13.786 -19.863 179 HD13 ILE 20 HD13 ILE 20 -0.542 14.514 -20.073 180 H GLY 21 HN GLY 21 -4.330 17.763 -16.401 181 HA2 GLY 21 HA2 GLY 21 -7.027 16.979 -16.085 182 HA3 GLY 21 HA1 GLY 21 -6.226 18.275 -15.208 183 H GLY 22 HN GLY 22 -5.544 19.758 -17.680 184 HA2 GLY 22 HA2 GLY 22 -7.901 21.323 -18.050 185 HA3 GLY 22 HA1 GLY 22 -6.400 21.464 -18.948 186 H LYS 23 HN LYS 23 -6.211 18.954 -20.175 187 HA LYS 23 HA LYS 23 -8.117 19.289 -22.319 188 HB2 LYS 23 HB2 LYS 23 -6.923 17.491 -23.502 189 HB3 LYS 23 HB1 LYS 23 -5.826 18.720 -22.912 190 HG2 LYS 23 HG2 LYS 23 -4.640 16.768 -22.500 191 HG3 LYS 23 HG1 LYS 23 -5.385 17.091 -20.937 192 HD2 LYS 23 HD2 LYS 23 -7.148 15.410 -21.449 193 HD3 LYS 23 HD1 LYS 23 -6.375 15.081 -23.002 194 HE2 LYS 23 HE2 LYS 23 -5.074 14.659 -20.288 195 HE3 LYS 23 HE1 LYS 23 -5.833 13.392 -21.252 196 HZ1 LYS 23 HZ1 LYS 23 -3.443 13.429 -21.525 197 HZ2 LYS 23 HZ2 LYS 23 -3.508 15.023 -22.094 198 HZ3 LYS 23 HZ3 LYS 23 -4.227 13.776 -22.984 199 H MET 24 HN MET 24 -7.758 17.106 -19.637 200 HA MET 24 HA MET 24 -9.712 15.175 -20.336 201 HB2 MET 24 HB2 MET 24 -8.494 16.051 -17.701 202 HB3 MET 24 HB1 MET 24 -9.826 14.903 -17.713 203 HG2 MET 24 HG2 MET 24 -8.511 13.303 -18.953 204 HG3 MET 24 HG1 MET 24 -7.219 14.478 -19.187 205 HE1 MET 24 HE1 MET 24 -9.145 12.312 -16.468 206 HE2 MET 24 HE2 MET 24 -9.237 13.937 -15.783 207 HE3 MET 24 HE3 MET 24 -8.227 12.710 -15.017 208 H ALA 25 HN ALA 25 -9.857 18.106 -18.292 209 HA ALA 25 HA ALA 25 -12.595 18.229 -17.789 210 HB1 ALA 25 HB1 ALA 25 -12.260 20.637 -17.372 211 HB2 ALA 25 HB2 ALA 25 -10.678 20.559 -18.152 212 HB3 ALA 25 HB3 ALA 25 -10.966 19.677 -16.651 213 H LYS 26 HN LYS 26 -10.730 19.532 -20.505 214 HA LYS 26 HA LYS 26 -12.591 20.877 -22.016 215 HB2 LYS 26 HB2 LYS 26 -10.190 20.750 -22.579 216 HB3 LYS 26 HB1 LYS 26 -10.358 19.050 -22.993 217 HG2 LYS 26 HG2 LYS 26 -12.028 19.846 -24.813 218 HG3 LYS 26 HG1 LYS 26 -11.375 21.461 -24.517 219 HD2 LYS 26 HD2 LYS 26 -9.829 19.005 -25.463 220 HD3 LYS 26 HD1 LYS 26 -10.219 20.433 -26.423 221 HE2 LYS 26 HE2 LYS 26 -8.352 20.352 -24.017 222 HE3 LYS 26 HE1 LYS 26 -7.861 20.457 -25.706 223 HZ1 LYS 26 HZ1 LYS 26 -7.788 22.597 -24.651 224 HZ2 LYS 26 HZ2 LYS 26 -9.411 22.486 -24.205 225 HZ3 LYS 26 HZ3 LYS 26 -8.992 22.596 -25.841 226 H MET 27 HN MET 27 -11.707 17.448 -22.357 227 HA MET 27 HA MET 27 -13.647 16.747 -24.302 228 HB2 MET 27 HB2 MET 27 -12.020 15.009 -22.404 229 HB3 MET 27 HB1 MET 27 -12.959 14.382 -23.759 230 HG2 MET 27 HG2 MET 27 -11.534 15.683 -25.325 231 HG3 MET 27 HG1 MET 27 -10.580 16.254 -23.956 232 HE1 MET 27 HE1 MET 27 -10.442 13.535 -22.144 233 HE2 MET 27 HE2 MET 27 -9.064 14.601 -22.420 234 HE3 MET 27 HE3 MET 27 -8.915 12.870 -22.725 235 H GLN 28 HN GLN 28 -13.695 16.692 -20.785 236 HA GLN 28 HA GLN 28 -16.124 15.197 -20.471 237 HB2 GLN 28 HB2 GLN 28 -14.670 17.108 -18.605 238 HB3 GLN 28 HB1 GLN 28 -16.116 16.214 -18.134 239 HG2 GLN 28 HG2 GLN 28 -13.419 15.047 -18.893 240 HG3 GLN 28 HG1 GLN 28 -14.130 15.110 -17.280 241 HE21 GLN 28 HE21 GLN 28 -14.181 13.504 -20.378 242 HE22 GLN 28 HE22 GLN 28 -15.156 12.163 -19.894 243 H GLY 29 HN GLY 29 -15.345 18.512 -21.163 244 HA2 GLY 29 HA2 GLY 29 -16.995 19.614 -22.605 245 HA3 GLY 29 HA1 GLY 29 -18.245 19.148 -21.455 246 H PHE 30 HN PHE 30 -14.985 20.620 -21.110 247 HA PHE 30 HA PHE 30 -16.227 22.935 -19.714 248 HB2 PHE 30 HB2 PHE 30 -13.999 21.228 -18.509 249 HB3 PHE 30 HB1 PHE 30 -14.511 22.789 -17.876 250 HD1 PHE 30 HD2 PHE 30 -16.893 23.049 -17.000 251 HD2 PHE 30 HD1 PHE 30 -15.185 19.228 -17.894 252 HE1 PHE 30 HE2 PHE 30 -18.624 21.947 -15.643 253 HE2 PHE 30 HE1 PHE 30 -16.931 18.144 -16.545 254 HZ PHE 30 HZ PHE 30 -18.646 19.500 -15.415 255 H ASP 31 HN ASP 31 -14.731 24.675 -19.259 256 HA ASP 31 HA ASP 31 -12.311 24.880 -20.887 257 HB2 ASP 31 HB2 ASP 31 -13.044 27.056 -21.880 258 HB3 ASP 31 HB1 ASP 31 -14.041 25.711 -22.411 259 H LEU 32 HN LEU 32 -11.008 25.058 -19.127 260 HA LEU 32 HA LEU 32 -11.761 26.551 -16.768 261 HB2 LEU 32 HB2 LEU 32 -9.126 25.167 -17.398 262 HB3 LEU 32 HB1 LEU 32 -9.661 25.716 -15.814 263 HG LEU 32 HG LEU 32 -10.897 23.446 -17.442 264 HD11 LEU 32 HD11 LEU 32 -10.103 21.972 -15.649 265 HD12 LEU 32 HD12 LEU 32 -9.338 23.344 -14.842 266 HD13 LEU 32 HD13 LEU 32 -8.766 22.817 -16.428 267 HD21 LEU 32 HD21 LEU 32 -12.378 23.033 -15.508 268 HD22 LEU 32 HD22 LEU 32 -12.672 24.619 -16.211 269 HD23 LEU 32 HD23 LEU 32 -11.758 24.480 -14.709 270 HA PRO 33 HA PRO 33 -10.315 30.540 -18.177 271 HB2 PRO 33 HB2 PRO 33 -9.634 31.695 -15.705 272 HB3 PRO 33 HB1 PRO 33 -11.270 31.603 -16.372 273 HG2 PRO 33 HG2 PRO 33 -9.925 29.787 -14.382 274 HG3 PRO 33 HG1 PRO 33 -11.579 30.434 -14.368 275 HD2 PRO 33 HD2 PRO 33 -11.114 27.908 -15.134 276 HD3 PRO 33 HD1 PRO 33 -12.330 28.889 -15.986 277 H GLN 34 HN GLN 34 -8.481 30.686 -19.285 278 HA GLN 34 HA GLN 34 -6.067 29.327 -18.475 279 HB2 GLN 34 HB2 GLN 34 -7.030 29.197 -20.784 280 HB3 GLN 34 HB1 GLN 34 -6.689 30.906 -21.015 281 HG2 GLN 34 HG2 GLN 34 -4.980 29.654 -22.137 282 HG3 GLN 34 HG1 GLN 34 -4.245 30.400 -20.720 283 HE21 GLN 34 HE21 GLN 34 -2.564 28.896 -20.661 284 HE22 GLN 34 HE22 GLN 34 -2.790 27.248 -20.198 285 H SER 35 HN SER 35 -6.988 32.700 -19.124 286 HA SER 35 HA SER 35 -4.398 33.704 -19.511 287 HB2 SER 35 HB2 SER 35 -6.959 35.189 -18.853 288 HB3 SER 35 HB1 SER 35 -5.473 35.948 -19.429 289 HG SER 35 HG SER 35 -7.341 34.414 -20.778 290 HA PRO 36 HA PRO 36 -4.626 35.712 -14.996 291 HB2 PRO 36 HB2 PRO 36 -6.084 33.594 -13.438 292 HB3 PRO 36 HB1 PRO 36 -6.173 35.359 -13.295 293 HG2 PRO 36 HG2 PRO 36 -8.169 34.007 -14.454 294 HG3 PRO 36 HG1 PRO 36 -7.627 35.558 -15.130 295 HD2 PRO 36 HD2 PRO 36 -6.971 32.755 -16.072 296 HD3 PRO 36 HD1 PRO 36 -7.451 34.181 -17.022 297 H GLN 37 HN GLN 37 -4.670 32.157 -15.022 298 HA GLN 37 HA GLN 37 -2.955 30.688 -15.049 299 HB2 GLN 37 HB2 GLN 37 -1.195 32.746 -13.699 300 HB3 GLN 37 HB1 GLN 37 -0.696 31.069 -13.913 301 HG2 GLN 37 HG2 GLN 37 -0.940 31.338 -16.374 302 HG3 GLN 37 HG1 GLN 37 -1.387 33.026 -16.138 303 HE21 GLN 37 HE21 GLN 37 0.237 34.520 -15.497 304 HE22 GLN 37 HE22 GLN 37 1.921 34.154 -15.639 305 HA PRO 38 HA PRO 38 -2.701 29.726 -10.268 306 HB2 PRO 38 HB2 PRO 38 -3.960 31.369 -8.447 307 HB3 PRO 38 HB1 PRO 38 -2.266 31.574 -8.926 308 HG2 PRO 38 HG2 PRO 38 -4.714 32.991 -10.013 309 HG3 PRO 38 HG1 PRO 38 -3.184 33.703 -9.439 310 HD2 PRO 38 HD2 PRO 38 -3.606 33.342 -12.051 311 HD3 PRO 38 HD1 PRO 38 -1.999 33.015 -11.367 312 H VAL 39 HN VAL 39 -5.508 31.226 -11.652 313 HA VAL 39 HA VAL 39 -7.524 29.806 -10.217 314 HB VAL 39 HB VAL 39 -9.100 30.700 -11.868 315 HG11 VAL 39 HG11 VAL 39 -8.344 32.209 -10.073 316 HG12 VAL 39 HG12 VAL 39 -8.658 33.124 -11.550 317 HG13 VAL 39 HG13 VAL 39 -6.997 32.758 -11.075 318 HG21 VAL 39 HG21 VAL 39 -7.789 30.355 -13.930 319 HG22 VAL 39 HG22 VAL 39 -6.651 31.614 -13.438 320 HG23 VAL 39 HG23 VAL 39 -8.323 32.033 -13.816 321 H ARG 40 HN ARG 40 -5.623 29.125 -13.122 322 HA ARG 40 HA ARG 40 -7.130 26.979 -14.204 323 HB2 ARG 40 HB2 ARG 40 -4.092 27.304 -14.223 324 HB3 ARG 40 HB1 ARG 40 -5.007 26.196 -15.246 325 HG2 ARG 40 HG2 ARG 40 -6.105 28.195 -16.297 326 HG3 ARG 40 HG1 ARG 40 -5.029 29.226 -15.351 327 HD2 ARG 40 HD2 ARG 40 -4.140 28.917 -17.607 328 HD3 ARG 40 HD1 ARG 40 -3.068 28.149 -16.426 329 HE ARG 40 HE ARG 40 -5.088 26.594 -17.934 330 HH11 ARG 40 HH11 ARG 40 -1.740 27.071 -17.043 331 HH12 ARG 40 HH12 ARG 40 -1.207 25.601 -17.789 332 HH21 ARG 40 HH21 ARG 40 -4.390 24.650 -18.884 333 HH22 ARG 40 HH22 ARG 40 -2.710 24.227 -18.826 334 H VAL 41 HN VAL 41 -4.590 27.177 -11.804 335 HA VAL 41 HA VAL 41 -4.073 24.467 -11.353 336 HB VAL 41 HB VAL 41 -3.742 26.844 -9.458 337 HG11 VAL 41 HG11 VAL 41 -3.585 24.712 -8.243 338 HG12 VAL 41 HG12 VAL 41 -2.025 25.520 -8.303 339 HG13 VAL 41 HG13 VAL 41 -2.348 24.147 -9.364 340 HG21 VAL 41 HG21 VAL 41 -2.581 27.176 -11.618 341 HG22 VAL 41 HG22 VAL 41 -1.743 25.634 -11.420 342 HG23 VAL 41 HG23 VAL 41 -1.417 26.966 -10.306 343 H LYS 42 HN LYS 42 -6.189 26.715 -9.607 344 HA LYS 42 HA LYS 42 -7.197 24.771 -7.756 345 HB2 LYS 42 HB2 LYS 42 -6.944 27.315 -7.440 346 HB3 LYS 42 HB1 LYS 42 -8.418 27.490 -8.376 347 HG2 LYS 42 HG2 LYS 42 -8.371 25.757 -5.892 348 HG3 LYS 42 HG1 LYS 42 -8.506 27.507 -5.748 349 HD2 LYS 42 HD2 LYS 42 -10.454 25.671 -7.204 350 HD3 LYS 42 HD1 LYS 42 -10.723 26.445 -5.638 351 HE2 LYS 42 HE2 LYS 42 -10.428 27.856 -8.325 352 HE3 LYS 42 HE1 LYS 42 -11.919 27.662 -7.402 353 HZ1 LYS 42 HZ1 LYS 42 -10.959 29.860 -7.123 354 HZ2 LYS 42 HZ2 LYS 42 -9.532 29.194 -6.514 355 HZ3 LYS 42 HZ3 LYS 42 -10.976 29.025 -5.656 356 H ALA 43 HN ALA 43 -8.213 25.925 -10.921 357 HA ALA 43 HA ALA 43 -10.884 24.916 -10.926 358 HB1 ALA 43 HB1 ALA 43 -10.128 26.645 -12.516 359 HB2 ALA 43 HB2 ALA 43 -10.826 25.261 -13.355 360 HB3 ALA 43 HB3 ALA 43 -9.074 25.467 -13.302 361 H VAL 44 HN VAL 44 -7.820 23.620 -12.169 362 HA VAL 44 HA VAL 44 -8.747 21.160 -13.175 363 HB VAL 44 HB VAL 44 -5.971 21.931 -12.143 364 HG11 VAL 44 HG11 VAL 44 -5.097 19.932 -13.319 365 HG12 VAL 44 HG12 VAL 44 -6.744 19.438 -13.718 366 HG13 VAL 44 HG13 VAL 44 -6.215 19.472 -12.035 367 HG21 VAL 44 HG21 VAL 44 -5.373 22.122 -14.532 368 HG22 VAL 44 HG22 VAL 44 -6.714 23.196 -14.139 369 HG23 VAL 44 HG23 VAL 44 -7.024 21.684 -14.995 370 H TYR 45 HN TYR 45 -7.426 22.103 -10.006 371 HA TYR 45 HA TYR 45 -7.546 19.729 -8.598 372 HB2 TYR 45 HB2 TYR 45 -6.550 21.578 -7.532 373 HB3 TYR 45 HB1 TYR 45 -7.931 22.624 -7.819 374 HD1 TYR 45 HD1 TYR 45 -6.710 19.780 -5.711 375 HD2 TYR 45 HD2 TYR 45 -9.689 22.813 -6.202 376 HE1 TYR 45 HE1 TYR 45 -7.539 19.352 -3.433 377 HE2 TYR 45 HE2 TYR 45 -10.500 22.385 -3.936 378 HH TYR 45 HH TYR 45 -10.507 20.607 -2.321 379 H LEU 46 HN LEU 46 -10.171 22.170 -8.863 380 HA LEU 46 HA LEU 46 -12.148 20.843 -7.394 381 HB2 LEU 46 HB2 LEU 46 -12.427 22.793 -9.709 382 HB3 LEU 46 HB1 LEU 46 -13.794 22.233 -8.759 383 HG LEU 46 HG LEU 46 -11.463 23.882 -7.706 384 HD11 LEU 46 HD11 LEU 46 -14.360 24.650 -8.177 385 HD12 LEU 46 HD12 LEU 46 -12.973 25.174 -9.135 386 HD13 LEU 46 HD13 LEU 46 -13.117 25.678 -7.453 387 HD21 LEU 46 HD21 LEU 46 -12.731 24.023 -5.588 388 HD22 LEU 46 HD22 LEU 46 -12.262 22.365 -5.951 389 HD23 LEU 46 HD23 LEU 46 -13.926 22.887 -6.221 390 H PHE 47 HN PHE 47 -11.424 20.741 -10.843 391 HA PHE 47 HA PHE 47 -13.445 19.028 -11.745 392 HB2 PHE 47 HB2 PHE 47 -12.271 20.179 -13.435 393 HB3 PHE 47 HB1 PHE 47 -10.696 19.814 -12.745 394 HD1 PHE 47 HD2 PHE 47 -13.619 18.072 -14.363 395 HD2 PHE 47 HD1 PHE 47 -9.381 18.172 -13.780 396 HE1 PHE 47 HE2 PHE 47 -13.352 16.175 -15.903 397 HE2 PHE 47 HE1 PHE 47 -9.126 16.278 -15.314 398 HZ PHE 47 HZ PHE 47 -11.114 15.271 -16.376 399 H LEU 48 HN LEU 48 -10.184 18.261 -10.518 400 HA LEU 48 HA LEU 48 -10.331 15.459 -10.977 401 HB2 LEU 48 HB2 LEU 48 -8.486 17.062 -9.186 402 HB3 LEU 48 HB1 LEU 48 -8.278 15.354 -9.545 403 HG LEU 48 HG LEU 48 -8.121 17.622 -11.572 404 HD11 LEU 48 HD11 LEU 48 -5.733 17.095 -11.687 405 HD12 LEU 48 HD12 LEU 48 -5.927 15.891 -10.410 406 HD13 LEU 48 HD13 LEU 48 -6.210 17.599 -10.067 407 HD21 LEU 48 HD21 LEU 48 -9.014 15.602 -12.631 408 HD22 LEU 48 HD22 LEU 48 -7.672 14.647 -11.993 409 HD23 LEU 48 HD23 LEU 48 -7.371 15.917 -13.181 410 H VAL 49 HN VAL 49 -11.028 17.464 -8.124 411 HA VAL 49 HA VAL 49 -11.364 15.310 -6.277 412 HB VAL 49 HB VAL 49 -12.498 18.147 -6.118 413 HG11 VAL 49 HG11 VAL 49 -12.211 16.053 -3.921 414 HG12 VAL 49 HG12 VAL 49 -13.731 16.601 -4.636 415 HG13 VAL 49 HG13 VAL 49 -12.755 17.720 -3.685 416 HG21 VAL 49 HG21 VAL 49 -10.025 18.131 -6.204 417 HG22 VAL 49 HG22 VAL 49 -9.974 16.998 -4.854 418 HG23 VAL 49 HG23 VAL 49 -10.594 18.635 -4.612 419 H ASP 50 HN ASP 50 -13.525 17.157 -8.376 420 HA ASP 50 HA ASP 50 -16.009 15.990 -7.646 421 HB2 ASP 50 HB2 ASP 50 -15.740 18.131 -8.937 422 HB3 ASP 50 HB1 ASP 50 -15.167 17.213 -10.318 423 H ALA 51 HN ALA 51 -13.535 15.152 -10.020 424 HA ALA 51 HA ALA 51 -14.978 12.869 -11.128 425 HB1 ALA 51 HB1 ALA 51 -13.573 14.293 -12.575 426 HB2 ALA 51 HB2 ALA 51 -13.006 12.620 -12.575 427 HB3 ALA 51 HB3 ALA 51 -12.147 13.846 -11.636 428 H LYS 52 HN LYS 52 -13.338 13.375 -8.303 429 HA LYS 52 HA LYS 52 -12.634 12.103 -6.594 430 HB2 LYS 52 HB2 LYS 52 -13.699 9.688 -8.114 431 HB3 LYS 52 HB1 LYS 52 -13.427 9.803 -6.376 432 HG2 LYS 52 HG2 LYS 52 -15.491 11.343 -7.987 433 HG3 LYS 52 HG1 LYS 52 -15.814 9.985 -6.906 434 HD2 LYS 52 HD2 LYS 52 -15.289 11.293 -4.957 435 HD3 LYS 52 HD1 LYS 52 -14.560 12.580 -5.920 436 HE2 LYS 52 HE2 LYS 52 -16.789 13.224 -5.080 437 HE3 LYS 52 HE1 LYS 52 -16.747 13.183 -6.842 438 HZ1 LYS 52 HZ1 LYS 52 -18.746 12.188 -6.010 439 HZ2 LYS 52 HZ2 LYS 52 -17.873 11.088 -5.072 440 HZ3 LYS 52 HZ3 LYS 52 -17.804 11.002 -6.762 441 H GLN 53 HN GLN 53 -10.987 12.430 -9.117 442 HA GLN 53 HA GLN 53 -9.020 10.423 -9.282 443 HB2 GLN 53 HB2 GLN 53 -8.738 13.420 -9.778 444 HB3 GLN 53 HB1 GLN 53 -7.629 12.178 -10.353 445 HG2 GLN 53 HG2 GLN 53 -10.522 12.513 -11.202 446 HG3 GLN 53 HG1 GLN 53 -9.107 13.004 -12.132 447 HE21 GLN 53 HE21 GLN 53 -11.067 10.325 -11.095 448 HE22 GLN 53 HE22 GLN 53 -10.363 9.136 -12.131 449 H ILE 54 HN ILE 54 -9.331 13.341 -7.300 450 HA ILE 54 HA ILE 54 -7.327 12.295 -5.384 451 HB ILE 54 HB ILE 54 -6.667 14.687 -4.849 452 HG12 ILE 54 HG12 ILE 54 -8.165 15.330 -7.438 453 HG13 ILE 54 HG11 ILE 54 -8.637 15.847 -5.827 454 HG21 ILE 54 HG21 ILE 54 -5.198 13.267 -6.201 455 HG22 ILE 54 HG22 ILE 54 -5.100 14.945 -6.732 456 HG23 ILE 54 HG23 ILE 54 -6.029 13.776 -7.673 457 HD11 ILE 54 HD11 ILE 54 -7.630 17.655 -7.066 458 HD12 ILE 54 HD12 ILE 54 -6.163 16.710 -7.320 459 HD13 ILE 54 HD13 ILE 54 -6.612 17.225 -5.692 460 H ALA 55 HN ALA 55 -7.589 13.213 -3.238 461 HA ALA 55 HA ALA 55 -10.341 13.425 -2.344 462 HB1 ALA 55 HB1 ALA 55 -7.717 13.478 -0.784 463 HB2 ALA 55 HB2 ALA 55 -8.733 12.062 -1.054 464 HB3 ALA 55 HB3 ALA 55 -9.334 13.396 -0.071 465 HA PRO 56 HA PRO 56 -10.224 17.952 -2.090 466 HB2 PRO 56 HB2 PRO 56 -12.003 18.411 -0.037 467 HB3 PRO 56 HB1 PRO 56 -12.504 17.936 -1.664 468 HG2 PRO 56 HG2 PRO 56 -12.165 16.212 0.786 469 HG3 PRO 56 HG1 PRO 56 -13.496 16.231 -0.391 470 HD2 PRO 56 HD2 PRO 56 -11.521 14.373 -0.490 471 HD3 PRO 56 HD1 PRO 56 -12.288 14.994 -1.971 472 H LEU 57 HN LEU 57 -9.652 19.657 -0.619 473 HA LEU 57 HA LEU 57 -7.906 18.917 1.627 474 HB2 LEU 57 HB2 LEU 57 -8.070 21.420 -0.100 475 HB3 LEU 57 HB1 LEU 57 -7.008 21.265 1.294 476 HG LEU 57 HG LEU 57 -6.824 19.447 -1.148 477 HD11 LEU 57 HD11 LEU 57 -5.211 21.952 -0.574 478 HD12 LEU 57 HD12 LEU 57 -6.393 21.737 -1.868 479 HD13 LEU 57 HD13 LEU 57 -4.903 20.799 -1.878 480 HD21 LEU 57 HD21 LEU 57 -4.585 18.890 -0.257 481 HD22 LEU 57 HD22 LEU 57 -5.847 18.484 0.901 482 HD23 LEU 57 HD23 LEU 57 -4.868 19.933 1.141 483 HA PRO 58 HA PRO 58 -10.965 20.940 4.325 484 HB2 PRO 58 HB2 PRO 58 -9.264 21.806 6.349 485 HB3 PRO 58 HB1 PRO 58 -9.875 20.151 6.214 486 HG2 PRO 58 HG2 PRO 58 -7.218 21.268 5.338 487 HG3 PRO 58 HG1 PRO 58 -7.572 19.743 6.182 488 HD2 PRO 58 HD2 PRO 58 -7.092 19.798 3.518 489 HD3 PRO 58 HD1 PRO 58 -8.272 18.666 4.221 490 H ASP 59 HN ASP 59 -11.431 23.138 5.100 491 HA ASP 59 HA ASP 59 -10.898 25.248 3.366 492 HB2 ASP 59 HB2 ASP 59 -12.793 25.207 4.957 493 HB3 ASP 59 HB1 ASP 59 -11.682 25.354 6.312 494 H SER 60 HN SER 60 -9.282 24.335 6.366 495 HA SER 60 HA SER 60 -7.491 26.521 6.595 496 HB2 SER 60 HB2 SER 60 -7.271 23.710 7.738 497 HB3 SER 60 HB1 SER 60 -6.388 25.134 8.306 498 HG SER 60 HG SER 60 -8.375 26.062 8.896 499 H LYS 61 HN LYS 61 -7.419 23.778 4.495 500 HA LYS 61 HA LYS 61 -4.603 24.329 3.748 501 HB2 LYS 61 HB2 LYS 61 -5.965 21.739 4.242 502 HB3 LYS 61 HB1 LYS 61 -5.147 21.773 2.691 503 HG2 LYS 61 HG2 LYS 61 -3.639 20.872 4.327 504 HG3 LYS 61 HG1 LYS 61 -3.055 22.456 3.810 505 HD2 LYS 61 HD2 LYS 61 -4.196 23.400 5.925 506 HD3 LYS 61 HD1 LYS 61 -4.373 21.720 6.446 507 HE2 LYS 61 HE2 LYS 61 -1.887 21.460 6.234 508 HE3 LYS 61 HE1 LYS 61 -1.790 23.181 5.838 509 HZ1 LYS 61 HZ1 LYS 61 -2.741 23.683 8.006 510 HZ2 LYS 61 HZ2 LYS 61 -1.317 22.784 8.169 511 HZ3 LYS 61 HZ3 LYS 61 -2.817 22.035 8.377 512 H LEU 62 HN LEU 62 -7.313 25.400 2.756 513 HA LEU 62 HA LEU 62 -7.143 24.618 -0.090 514 HB2 LEU 62 HB2 LEU 62 -9.377 25.103 1.427 515 HB3 LEU 62 HB1 LEU 62 -9.131 26.710 0.775 516 HG LEU 62 HG LEU 62 -10.739 25.464 -0.595 517 HD11 LEU 62 HD11 LEU 62 -9.767 25.722 -2.820 518 HD12 LEU 62 HD12 LEU 62 -8.149 25.831 -2.122 519 HD13 LEU 62 HD13 LEU 62 -9.345 27.083 -1.784 520 HD21 LEU 62 HD21 LEU 62 -10.144 23.437 -1.825 521 HD22 LEU 62 HD22 LEU 62 -9.973 23.186 -0.089 522 HD23 LEU 62 HD23 LEU 62 -8.539 23.436 -1.087 523 H ASP 63 HN ASP 63 -5.005 25.486 -0.096 524 HA ASP 63 HA ASP 63 -4.870 28.352 -0.818 525 HB2 ASP 63 HB2 ASP 63 -3.805 28.193 1.370 526 HB3 ASP 63 HB1 ASP 63 -2.889 26.766 0.890 527 H GLY 64 HN GLY 64 -3.354 28.813 -2.463 528 HA2 GLY 64 HA2 GLY 64 -3.361 27.215 -4.682 529 HA3 GLY 64 HA1 GLY 64 -2.198 28.505 -4.408 530 H ALA 65 HN ALA 65 -0.760 27.341 -2.222 531 HA ALA 65 HA ALA 65 1.144 25.714 -3.560 532 HB1 ALA 65 HB1 ALA 65 0.735 26.102 -0.572 533 HB2 ALA 65 HB2 ALA 65 1.698 27.134 -1.630 534 HB3 ALA 65 HB3 ALA 65 2.192 25.465 -1.339 535 H ASN 66 HN ASN 66 -1.364 24.918 -1.180 536 HA ASN 66 HA ASN 66 -0.785 22.128 -0.949 537 HB2 ASN 66 HB2 ASN 66 -3.332 23.644 -0.250 538 HB3 ASN 66 HB1 ASN 66 -2.912 22.032 0.320 539 HD21 ASN 66 HD21 ASN 66 -3.406 24.620 1.739 540 HD22 ASN 66 HD22 ASN 66 -2.029 24.834 2.754 541 H ILE 67 HN ILE 67 -2.998 24.026 -2.932 542 HA ILE 67 HA ILE 67 -4.470 22.001 -4.211 543 HB ILE 67 HB ILE 67 -3.552 24.699 -5.335 544 HG12 ILE 67 HG12 ILE 67 -4.926 24.942 -3.262 545 HG13 ILE 67 HG11 ILE 67 -5.744 25.603 -4.668 546 HG21 ILE 67 HG21 ILE 67 -5.428 24.488 -6.939 547 HG22 ILE 67 HG22 ILE 67 -5.753 22.865 -6.328 548 HG23 ILE 67 HG23 ILE 67 -4.229 23.212 -7.142 549 HD11 ILE 67 HD11 ILE 67 -7.136 23.601 -4.780 550 HD12 ILE 67 HD12 ILE 67 -7.274 24.428 -3.227 551 HD13 ILE 67 HD13 ILE 67 -6.314 22.954 -3.356 552 H LYS 68 HN LYS 68 -1.469 23.660 -5.140 553 HA LYS 68 HA LYS 68 -0.818 22.308 -7.496 554 HB2 LYS 68 HB2 LYS 68 0.898 23.718 -5.423 555 HB3 LYS 68 HB1 LYS 68 1.583 23.067 -6.908 556 HG2 LYS 68 HG2 LYS 68 0.190 24.546 -8.253 557 HG3 LYS 68 HG1 LYS 68 -0.628 25.137 -6.805 558 HD2 LYS 68 HD2 LYS 68 1.538 26.073 -5.999 559 HD3 LYS 68 HD1 LYS 68 2.309 25.538 -7.499 560 HE2 LYS 68 HE2 LYS 68 0.851 27.022 -8.802 561 HE3 LYS 68 HE1 LYS 68 -0.018 27.494 -7.338 562 HZ1 LYS 68 HZ1 LYS 68 1.562 29.172 -7.926 563 HZ2 LYS 68 HZ2 LYS 68 2.830 28.052 -7.954 564 HZ3 LYS 68 HZ3 LYS 68 2.065 28.427 -6.494 565 H HIS 69 HN HIS 69 -0.255 21.464 -4.145 566 HA HIS 69 HA HIS 69 1.598 19.347 -4.583 567 HB2 HIS 69 HB2 HIS 69 1.252 20.665 -2.419 568 HB3 HIS 69 HB1 HIS 69 -0.199 19.705 -2.152 569 HD1 HIS 69 HD1 HIS 69 0.204 17.697 -0.735 570 HD2 HIS 69 HD2 HIS 69 3.634 18.862 -2.761 571 HE1 HIS 69 HE1 HIS 69 2.013 16.141 0.045 572 HE2 HIS 69 HE2 HIS 69 4.029 16.764 -1.324 573 H ARG 70 HN ARG 70 -1.937 19.466 -4.082 574 HA ARG 70 HA ARG 70 -2.572 16.727 -4.245 575 HB2 ARG 70 HB2 ARG 70 -4.111 19.248 -4.944 576 HB3 ARG 70 HB1 ARG 70 -4.794 17.689 -5.373 577 HG2 ARG 70 HG2 ARG 70 -4.083 18.576 -2.562 578 HG3 ARG 70 HG1 ARG 70 -5.706 18.542 -3.259 579 HD2 ARG 70 HD2 ARG 70 -5.397 16.048 -3.618 580 HD3 ARG 70 HD1 ARG 70 -3.901 16.165 -2.687 581 HE ARG 70 HE ARG 70 -6.448 17.054 -1.490 582 HH11 ARG 70 HH11 ARG 70 -3.752 14.806 -1.444 583 HH12 ARG 70 HH12 ARG 70 -4.214 14.090 0.066 584 HH21 ARG 70 HH21 ARG 70 -7.068 16.091 0.473 585 HH22 ARG 70 HH22 ARG 70 -6.100 14.818 1.150 586 H LEU 71 HN LEU 71 -2.251 19.168 -6.788 587 HA LEU 71 HA LEU 71 -2.845 17.530 -9.014 588 HB2 LEU 71 HB2 LEU 71 -1.148 20.053 -8.913 589 HB3 LEU 71 HB1 LEU 71 -1.834 19.337 -10.360 590 HG LEU 71 HG LEU 71 -3.309 20.755 -8.119 591 HD11 LEU 71 HD11 LEU 71 -2.301 22.203 -9.815 592 HD12 LEU 71 HD12 LEU 71 -4.058 22.267 -9.877 593 HD13 LEU 71 HD13 LEU 71 -3.169 21.341 -11.091 594 HD21 LEU 71 HD21 LEU 71 -4.570 19.185 -10.389 595 HD22 LEU 71 HD22 LEU 71 -5.425 20.262 -9.283 596 HD23 LEU 71 HD23 LEU 71 -4.657 18.804 -8.665 597 H ALA 72 HN ALA 72 0.123 18.243 -7.281 598 HA ALA 72 HA ALA 72 2.023 17.333 -9.148 599 HB1 ALA 72 HB1 ALA 72 2.599 18.805 -7.264 600 HB2 ALA 72 HB2 ALA 72 3.609 17.356 -7.269 601 HB3 ALA 72 HB3 ALA 72 2.269 17.492 -6.128 602 H LEU 73 HN LEU 73 0.819 15.693 -6.175 603 HA LEU 73 HA LEU 73 2.067 13.206 -6.842 604 HB2 LEU 73 HB2 LEU 73 -0.050 13.848 -4.774 605 HB3 LEU 73 HB1 LEU 73 0.572 12.224 -5.027 606 HG LEU 73 HG LEU 73 2.937 13.352 -4.641 607 HD11 LEU 73 HD11 LEU 73 2.920 15.232 -3.074 608 HD12 LEU 73 HD12 LEU 73 1.162 15.351 -3.221 609 HD13 LEU 73 HD13 LEU 73 2.193 15.667 -4.620 610 HD21 LEU 73 HD21 LEU 73 2.799 12.877 -2.235 611 HD22 LEU 73 HD22 LEU 73 2.025 11.625 -3.204 612 HD23 LEU 73 HD23 LEU 73 1.036 12.810 -2.346 613 H TRP 74 HN TRP 74 -1.115 14.569 -7.560 614 HA TRP 74 HA TRP 74 -2.442 12.239 -8.404 615 HB2 TRP 74 HB2 TRP 74 -3.727 14.306 -8.285 616 HB3 TRP 74 HB1 TRP 74 -2.707 15.086 -9.490 617 HD1 TRP 74 HD1 TRP 74 -5.153 12.042 -9.300 618 HE1 TRP 74 HE1 TRP 74 -6.277 11.768 -11.592 619 HE3 TRP 74 HE3 TRP 74 -2.742 15.766 -11.852 620 HZ2 TRP 74 HZ2 TRP 74 -6.169 12.951 -14.134 621 HZ3 TRP 74 HZ3 TRP 74 -3.315 16.136 -14.218 622 HH2 TRP 74 HH2 TRP 74 -4.999 14.753 -15.334 623 H ILE 75 HN ILE 75 -0.594 14.580 -10.386 624 HA ILE 75 HA ILE 75 -0.846 13.077 -12.773 625 HB ILE 75 HB ILE 75 -0.511 15.560 -12.764 626 HG12 ILE 75 HG12 ILE 75 0.950 15.646 -14.768 627 HG13 ILE 75 HG11 ILE 75 1.603 14.055 -14.390 628 HG21 ILE 75 HG21 ILE 75 1.201 15.751 -11.027 629 HG22 ILE 75 HG22 ILE 75 1.766 16.496 -12.521 630 HG23 ILE 75 HG23 ILE 75 2.370 14.908 -12.048 631 HD11 ILE 75 HD11 ILE 75 -0.576 13.051 -14.808 632 HD12 ILE 75 HD12 ILE 75 -0.027 13.991 -16.194 633 HD13 ILE 75 HD13 ILE 75 -1.264 14.647 -15.124 634 H HIS 76 HN HIS 76 1.549 13.147 -10.203 635 HA HIS 76 HA HIS 76 3.590 11.724 -11.603 636 HB2 HIS 76 HB2 HIS 76 3.752 13.122 -9.353 637 HB3 HIS 76 HB1 HIS 76 3.338 11.594 -8.576 638 HD1 HIS 76 HD1 HIS 76 5.482 10.588 -7.734 639 HD2 HIS 76 HD2 HIS 76 5.958 12.376 -11.447 640 HE1 HIS 76 HE1 HIS 76 7.875 10.202 -8.371 641 HE2 HIS 76 HE2 HIS 76 8.024 11.006 -10.754 642 H ALA 77 HN ALA 77 0.785 10.767 -9.691 643 HA ALA 77 HA ALA 77 1.336 7.910 -9.890 644 HB1 ALA 77 HB1 ALA 77 0.166 8.824 -7.931 645 HB2 ALA 77 HB2 ALA 77 -0.849 7.654 -8.777 646 HB3 ALA 77 HB3 ALA 77 -1.152 9.385 -8.961 647 H ALA 78 HN ALA 78 -0.320 10.326 -11.775 648 HA ALA 78 HA ALA 78 -2.075 8.550 -13.224 649 HB1 ALA 78 HB1 ALA 78 -1.310 11.429 -13.832 650 HB2 ALA 78 HB2 ALA 78 -2.695 10.912 -12.870 651 HB3 ALA 78 HB3 ALA 78 -2.625 10.524 -14.590 652 H LEU 79 HN LEU 79 1.098 9.974 -13.706 653 HA LEU 79 HA LEU 79 1.602 9.016 -16.335 654 HB2 LEU 79 HB2 LEU 79 3.455 9.835 -14.068 655 HB3 LEU 79 HB1 LEU 79 4.030 9.402 -15.671 656 HG LEU 79 HG LEU 79 2.163 11.744 -15.094 657 HD11 LEU 79 HD11 LEU 79 4.371 12.175 -14.124 658 HD12 LEU 79 HD12 LEU 79 4.090 13.207 -15.522 659 HD13 LEU 79 HD13 LEU 79 5.145 11.800 -15.667 660 HD21 LEU 79 HD21 LEU 79 1.851 10.848 -17.361 661 HD22 LEU 79 HD22 LEU 79 3.585 10.971 -17.673 662 HD23 LEU 79 HD23 LEU 79 2.624 12.430 -17.420 663 HA PRO 80 HA PRO 80 1.604 4.580 -15.348 664 HB2 PRO 80 HB2 PRO 80 3.415 4.606 -17.786 665 HB3 PRO 80 HB1 PRO 80 2.081 3.505 -17.392 666 HG2 PRO 80 HG2 PRO 80 1.665 5.469 -19.116 667 HG3 PRO 80 HG1 PRO 80 0.437 5.124 -17.876 668 HD2 PRO 80 HD2 PRO 80 2.449 7.365 -17.983 669 HD3 PRO 80 HD1 PRO 80 0.768 7.385 -17.409 670 H ASP 81 HN ASP 81 4.718 5.986 -16.383 671 HA ASP 81 HA ASP 81 6.271 4.020 -14.909 672 HB2 ASP 81 HB2 ASP 81 7.154 6.448 -16.526 673 HB3 ASP 81 HB1 ASP 81 8.232 5.210 -15.884 674 H ASN 82 HN ASN 82 4.684 6.733 -13.935 675 HA ASN 82 HA ASN 82 4.814 8.346 -12.354 676 HB2 ASN 82 HB2 ASN 82 6.720 6.347 -11.065 677 HB3 ASN 82 HB1 ASN 82 6.226 7.829 -10.267 678 HD21 ASN 82 HD21 ASN 82 4.060 5.788 -12.232 679 HD22 ASN 82 HD22 ASN 82 3.078 5.275 -10.909 680 H ASP 83 HN ASP 83 5.983 9.009 -14.496 681 HA ASP 83 HA ASP 83 8.722 9.155 -14.845 682 HB2 ASP 83 HB2 ASP 83 6.535 10.924 -16.025 683 HB3 ASP 83 HB1 ASP 83 8.163 10.764 -16.684 684 HA PRO 84 HA PRO 84 9.969 12.708 -12.399 685 HB2 PRO 84 HB2 PRO 84 12.413 13.220 -13.387 686 HB3 PRO 84 HB1 PRO 84 12.055 11.659 -12.631 687 HG2 PRO 84 HG2 PRO 84 12.125 12.359 -15.574 688 HG3 PRO 84 HG1 PRO 84 12.869 10.975 -14.740 689 HD2 PRO 84 HD2 PRO 84 10.435 10.840 -16.032 690 HD3 PRO 84 HD1 PRO 84 10.876 9.786 -14.674 691 H LEU 85 HN LEU 85 9.063 13.082 -15.621 692 HA LEU 85 HA LEU 85 8.336 14.757 -16.916 693 HB2 LEU 85 HB2 LEU 85 8.356 16.400 -14.360 694 HB3 LEU 85 HB1 LEU 85 7.621 16.911 -15.870 695 HG LEU 85 HG LEU 85 6.259 14.606 -15.577 696 HD11 LEU 85 HD11 LEU 85 6.865 15.330 -12.701 697 HD12 LEU 85 HD12 LEU 85 7.388 13.874 -13.544 698 HD13 LEU 85 HD13 LEU 85 5.674 14.140 -13.241 699 HD21 LEU 85 HD21 LEU 85 5.232 16.797 -15.800 700 HD22 LEU 85 HD22 LEU 85 5.558 17.154 -14.103 701 HD23 LEU 85 HD23 LEU 85 4.427 15.868 -14.537 702 H LYS 86 HN LYS 86 11.288 14.453 -16.397 703 HA LYS 86 HA LYS 86 12.481 17.056 -16.726 704 HB2 LYS 86 HB2 LYS 86 13.550 14.975 -15.635 705 HB3 LYS 86 HB1 LYS 86 13.805 14.348 -17.257 706 HG2 LYS 86 HG2 LYS 86 14.961 16.975 -16.239 707 HG3 LYS 86 HG1 LYS 86 15.818 15.436 -16.184 708 HD2 LYS 86 HD2 LYS 86 15.755 15.316 -18.661 709 HD3 LYS 86 HD1 LYS 86 14.867 16.837 -18.716 710 HE2 LYS 86 HE2 LYS 86 16.833 17.961 -17.629 711 HE3 LYS 86 HE1 LYS 86 17.726 16.442 -17.766 712 HZ1 LYS 86 HZ1 LYS 86 18.164 18.036 -19.582 713 HZ2 LYS 86 HZ2 LYS 86 16.547 17.912 -20.066 714 HZ3 LYS 86 HZ3 LYS 86 17.557 16.559 -20.136
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