NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
538124 | 2li6 | 17880 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLN 1 H GLN 1 1.807 0.000 0.855 2 HA GLN 1 HA GLN 1 2.829 0.788 -1.178 3 HB2 GLN 1 2HB GLN 1 2.076 -2.130 -1.419 4 HB3 GLN 1 3HB GLN 1 3.315 -1.334 -2.380 5 HG2 GLN 1 2HG GLN 1 4.826 -1.481 -0.754 6 HG3 GLN 1 3HG GLN 1 3.683 -0.944 0.476 7 HE21 GLN 1 1HE2 GLN 1 4.470 -3.759 -1.524 8 HE22 GLN 1 2HE2 GLN 1 4.090 -4.939 -0.320 9 H SER 2 H SER 2 0.609 2.014 -1.643 10 HA SER 2 HA SER 2 0.057 1.498 -4.423 11 HB2 SER 2 2HB SER 2 -2.245 1.418 -2.459 12 HB3 SER 2 3HB SER 2 -2.348 1.253 -4.212 13 HG SER 2 HG SER 2 -1.447 -0.571 -2.294 14 H LEU 3 H LEU 3 1.220 3.603 -4.193 15 HA LEU 3 HA LEU 3 0.012 5.852 -3.005 16 HB2 LEU 3 2HB LEU 3 1.566 7.169 -4.311 17 HB3 LEU 3 3HB LEU 3 2.374 5.765 -3.618 18 HG LEU 3 HG LEU 3 1.457 5.134 -6.259 19 HD11 LEU 3 1HD1 LEU 3 1.780 7.759 -6.252 20 HD12 LEU 3 2HD1 LEU 3 2.307 6.760 -7.605 21 HD13 LEU 3 3HD1 LEU 3 3.477 7.303 -6.403 22 HD21 LEU 3 3HD2 LEU 3 3.219 3.929 -5.189 23 HD22 LEU 3 1HD2 LEU 3 4.163 5.402 -4.963 24 HD23 LEU 3 2HD2 LEU 3 3.906 4.760 -6.586 25 H ASN 4 H ASN 4 -0.770 7.780 -4.227 26 HA ASN 4 HA ASN 4 -3.055 7.146 -5.723 27 HB2 ASN 4 2HB ASN 4 -2.988 9.665 -6.280 28 HB3 ASN 4 3HB ASN 4 -3.134 9.199 -4.588 29 HD21 ASN 4 1HD2 ASN 4 -1.552 9.731 -3.176 30 HD22 ASN 4 2HD2 ASN 4 -0.156 10.659 -3.594 31 HA PRO 5 HA PRO 5 -1.705 6.782 -9.882 32 HB2 PRO 5 2HB PRO 5 -3.738 7.969 -11.234 33 HB3 PRO 5 3HB PRO 5 -3.898 6.394 -10.447 34 HG2 PRO 5 2HG PRO 5 -4.761 9.092 -9.478 35 HG3 PRO 5 3HG PRO 5 -5.627 7.546 -9.403 36 HD2 PRO 5 2HD PRO 5 -4.308 8.581 -7.277 37 HD3 PRO 5 3HD PRO 5 -4.451 6.833 -7.553 38 H ALA 6 H ALA 6 -2.605 9.982 -8.748 39 HA ALA 6 HA ALA 6 -1.911 12.080 -9.309 40 HB1 ALA 6 1HB ALA 6 0.637 11.063 -10.429 41 HB2 ALA 6 2HB ALA 6 0.343 12.359 -9.268 42 HB3 ALA 6 3HB ALA 6 0.277 10.676 -8.746 43 H LEU 7 H LEU 7 -3.295 10.467 -11.362 44 HA LEU 7 HA LEU 7 -2.171 11.632 -13.815 45 HB2 LEU 7 2HB LEU 7 -4.127 9.386 -13.379 46 HB3 LEU 7 3HB LEU 7 -3.757 10.061 -14.964 47 HG LEU 7 HG LEU 7 -1.491 9.060 -13.324 48 HD11 LEU 7 1HD1 LEU 7 -2.794 7.022 -14.988 49 HD12 LEU 7 2HD1 LEU 7 -3.649 7.437 -13.503 50 HD13 LEU 7 3HD1 LEU 7 -1.980 6.872 -13.431 51 HD21 LEU 7 3HD2 LEU 7 -1.088 8.157 -15.796 52 HD22 LEU 7 1HD2 LEU 7 -0.677 9.801 -15.309 53 HD23 LEU 7 2HD2 LEU 7 -2.182 9.488 -16.173 54 H GLN 8 H GLN 8 -5.176 11.295 -11.975 55 HA GLN 8 HA GLN 8 -6.176 13.705 -13.326 56 HB2 GLN 8 2HB GLN 8 -7.588 11.088 -12.919 57 HB3 GLN 8 3HB GLN 8 -8.502 12.587 -13.024 58 HG2 GLN 8 2HG GLN 8 -6.982 12.863 -15.202 59 HG3 GLN 8 3HG GLN 8 -7.039 11.104 -15.113 60 HE21 GLN 8 1HE2 GLN 8 -8.548 13.797 -16.290 61 HE22 GLN 8 2HE2 GLN 8 -10.108 13.127 -16.609 62 H GLU 9 H GLU 9 -4.917 14.040 -11.026 63 HA GLU 9 HA GLU 9 -7.027 14.195 -8.976 64 HB2 GLU 9 2HB GLU 9 -5.200 14.292 -7.317 65 HB3 GLU 9 3HB GLU 9 -5.174 12.806 -8.256 66 HG2 GLU 9 2HG GLU 9 -3.324 13.531 -9.533 67 HG3 GLU 9 3HG GLU 9 -3.464 15.180 -8.926 68 H LYS 10 H LYS 10 -7.132 16.127 -10.851 69 HA LYS 10 HA LYS 10 -5.565 18.426 -10.197 70 HB2 LYS 10 2HB LYS 10 -7.616 17.710 -12.137 71 HB3 LYS 10 3HB LYS 10 -7.832 19.342 -11.518 72 HG2 LYS 10 2HG LYS 10 -5.300 19.594 -12.034 73 HG3 LYS 10 3HG LYS 10 -5.562 18.196 -13.080 74 HD2 LYS 10 2HD LYS 10 -6.674 19.408 -14.606 75 HD3 LYS 10 3HD LYS 10 -7.587 20.284 -13.376 76 HE2 LYS 10 2HE LYS 10 -5.343 21.508 -12.944 77 HE3 LYS 10 3HE LYS 10 -4.896 20.899 -14.536 78 HZ1 LYS 10 3HZ LYS 10 -7.487 22.207 -14.333 79 HZ2 LYS 10 1HZ LYS 10 -6.332 22.275 -15.567 80 HZ3 LYS 10 2HZ LYS 10 -6.133 23.207 -14.170 81 H ILE 11 H ILE 11 -5.831 19.735 -8.523 82 HA ILE 11 HA ILE 11 -8.358 19.663 -7.047 83 HB ILE 11 HB ILE 11 -6.378 19.275 -5.706 84 HG12 ILE 11 2HG1 ILE 11 -6.671 21.076 -4.028 85 HG13 ILE 11 3HG1 ILE 11 -7.564 22.017 -5.218 86 HG21 ILE 11 1HG2 ILE 11 -5.137 21.823 -5.678 87 HG22 ILE 11 2HG2 ILE 11 -4.453 20.274 -6.166 88 HG23 ILE 11 3HG2 ILE 11 -5.258 21.296 -7.356 89 HD11 ILE 11 3HD1 ILE 11 -9.122 20.969 -3.755 90 HD12 ILE 11 1HD1 ILE 11 -9.227 20.175 -5.326 91 HD13 ILE 11 2HD1 ILE 11 -8.370 19.392 -3.998 92 H SER 12 H SER 12 -9.650 21.413 -6.773 93 HA SER 12 HA SER 12 -10.552 23.478 -7.092 94 HB2 SER 12 2HB SER 12 -7.765 24.479 -7.686 95 HB3 SER 12 3HB SER 12 -9.136 25.399 -7.065 96 HG SER 12 HG SER 12 -7.283 24.008 -5.708 97 H THR 13 H THR 13 -11.411 24.672 -8.771 98 HA THR 13 HA THR 13 -10.414 23.978 -11.458 99 HB THR 13 HB THR 13 -12.552 22.947 -11.178 100 HG1 THR 13 HG1 THR 13 -13.490 23.801 -12.947 101 HG21 THR 13 3HG2 THR 13 -13.669 25.638 -10.391 102 HG22 THR 13 1HG2 THR 13 -13.271 24.356 -9.248 103 HG23 THR 13 2HG2 THR 13 -14.533 24.102 -10.453 104 H GLU 14 H GLU 14 -11.964 26.492 -9.503 105 HA GLU 14 HA GLU 14 -10.801 28.498 -11.308 106 HB2 GLU 14 2HB GLU 14 -13.632 28.377 -10.288 107 HB3 GLU 14 3HB GLU 14 -12.905 29.881 -10.833 108 HG2 GLU 14 2HG GLU 14 -12.456 28.798 -13.024 109 HG3 GLU 14 3HG GLU 14 -13.357 27.392 -12.460 110 H LEU 15 H LEU 15 -10.636 27.263 -8.376 111 HA LEU 15 HA LEU 15 -9.602 28.033 -6.481 112 HB2 LEU 15 2HB LEU 15 -8.915 29.944 -8.264 113 HB3 LEU 15 3HB LEU 15 -9.871 30.895 -7.129 114 HG LEU 15 HG LEU 15 -7.866 29.186 -5.851 115 HD11 LEU 15 1HD1 LEU 15 -6.170 29.636 -7.221 116 HD12 LEU 15 2HD1 LEU 15 -6.284 31.300 -6.650 117 HD13 LEU 15 3HD1 LEU 15 -7.112 30.818 -8.131 118 HD21 LEU 15 3HD2 LEU 15 -7.904 32.127 -5.564 119 HD22 LEU 15 1HD2 LEU 15 -7.823 30.865 -4.335 120 HD23 LEU 15 2HD2 LEU 15 -9.368 31.268 -5.084 121 H ASN 16 H ASN 16 -12.615 28.951 -7.642 122 HA ASN 16 HA ASN 16 -13.455 30.158 -5.111 123 HB2 ASN 16 2HB ASN 16 -14.449 30.207 -7.890 124 HB3 ASN 16 3HB ASN 16 -15.700 30.142 -6.652 125 HD21 ASN 16 1HD2 ASN 16 -16.133 31.915 -5.462 126 HD22 ASN 16 2HD2 ASN 16 -15.336 33.435 -5.659 127 H ASN 17 H ASN 17 -14.281 27.462 -7.269 128 HA ASN 17 HA ASN 17 -16.200 26.363 -5.439 129 HB2 ASN 17 2HB ASN 17 -14.958 25.364 -7.999 130 HB3 ASN 17 3HB ASN 17 -16.056 24.371 -7.046 131 HD21 ASN 17 1HD2 ASN 17 -16.575 25.115 -9.666 132 HD22 ASN 17 2HD2 ASN 17 -17.939 26.175 -9.686 133 H LYS 18 H LYS 18 -12.806 26.183 -5.821 134 HA LYS 18 HA LYS 18 -12.156 23.653 -4.931 135 HB2 LYS 18 2HB LYS 18 -10.029 24.514 -4.343 136 HB3 LYS 18 3HB LYS 18 -10.584 25.491 -5.696 137 HG2 LYS 18 2HG LYS 18 -9.873 27.165 -4.361 138 HG3 LYS 18 3HG LYS 18 -11.500 27.001 -3.698 139 HD2 LYS 18 2HD LYS 18 -10.759 25.945 -1.789 140 HD3 LYS 18 3HD LYS 18 -9.290 25.346 -2.563 141 HE2 LYS 18 2HE LYS 18 -9.605 28.285 -2.305 142 HE3 LYS 18 3HE LYS 18 -9.279 27.372 -0.833 143 HZ1 LYS 18 3HZ LYS 18 -7.248 26.629 -1.657 144 HZ2 LYS 18 1HZ LYS 18 -7.301 28.247 -2.147 145 HZ3 LYS 18 2HZ LYS 18 -7.630 27.016 -3.258 146 H GLN 19 H GLN 19 -13.335 26.399 -3.112 147 HA GLN 19 HA GLN 19 -12.734 25.375 -0.530 148 HB2 GLN 19 2HB GLN 19 -14.301 27.620 -1.643 149 HB3 GLN 19 3HB GLN 19 -14.816 27.043 -0.063 150 HG2 GLN 19 2HG GLN 19 -12.990 27.840 0.976 151 HG3 GLN 19 3HG GLN 19 -11.923 27.461 -0.376 152 HE21 GLN 19 1HE2 GLN 19 -10.902 29.443 -0.313 153 HE22 GLN 19 2HE2 GLN 19 -11.675 30.906 -0.813 154 H TYR 20 H TYR 20 -15.661 25.344 -2.536 155 HA TYR 20 HA TYR 20 -17.249 23.950 -0.635 156 HB2 TYR 20 2HB TYR 20 -17.526 24.608 -3.545 157 HB3 TYR 20 3HB TYR 20 -18.636 23.461 -2.804 158 HD1 TYR 20 HD2 TYR 20 -20.018 24.223 -0.826 159 HD2 TYR 20 HD1 TYR 20 -17.813 26.929 -3.259 160 HE1 TYR 20 HE2 TYR 20 -21.389 26.085 0.012 161 HE2 TYR 20 HE1 TYR 20 -19.177 28.799 -2.427 162 HH TYR 20 HH TYR 20 -21.981 28.597 -1.136 163 H GLU 21 H GLU 21 -15.268 22.959 -3.378 164 HA GLU 21 HA GLU 21 -16.061 20.230 -3.346 165 HB2 GLU 21 2HB GLU 21 -14.126 21.886 -4.774 166 HB3 GLU 21 3HB GLU 21 -13.524 20.267 -4.447 167 HG2 GLU 21 2HG GLU 21 -16.143 20.876 -5.795 168 HG3 GLU 21 3HG GLU 21 -14.644 20.487 -6.636 169 H LEU 22 H LEU 22 -13.273 21.966 -2.001 170 HA LEU 22 HA LEU 22 -11.976 19.712 -0.921 171 HB2 LEU 22 2HB LEU 22 -11.879 22.646 -0.326 172 HB3 LEU 22 3HB LEU 22 -10.971 21.495 0.652 173 HG LEU 22 HG LEU 22 -10.646 21.767 -2.332 174 HD11 LEU 22 1HD1 LEU 22 -10.076 23.849 -1.013 175 HD12 LEU 22 2HD1 LEU 22 -8.774 23.155 -1.980 176 HD13 LEU 22 3HD1 LEU 22 -8.812 22.896 -0.236 177 HD21 LEU 22 3HD2 LEU 22 -8.328 20.800 -1.151 178 HD22 LEU 22 1HD2 LEU 22 -9.511 19.872 -2.073 179 HD23 LEU 22 2HD2 LEU 22 -9.634 19.957 -0.316 180 H PHE 23 H PHE 23 -14.544 21.765 0.279 181 HA PHE 23 HA PHE 23 -14.483 21.030 2.982 182 HB2 PHE 23 2HB PHE 23 -16.239 22.482 1.229 183 HB3 PHE 23 3HB PHE 23 -17.188 21.417 2.261 184 HD1 PHE 23 HD1 PHE 23 -14.059 23.333 2.905 185 HD2 PHE 23 HD2 PHE 23 -18.147 22.704 3.910 186 HE1 PHE 23 HE1 PHE 23 -13.849 24.944 4.753 187 HE2 PHE 23 HE2 PHE 23 -17.944 24.315 5.758 188 HZ PHE 23 HZ PHE 23 -15.793 25.438 6.181 189 H MET 24 H MET 24 -16.320 19.646 0.269 190 HA MET 24 HA MET 24 -17.397 17.533 1.897 191 HB2 MET 24 2HB MET 24 -17.913 18.637 -0.681 192 HB3 MET 24 3HB MET 24 -17.620 16.913 -0.873 193 HG2 MET 24 2HG MET 24 -19.939 17.167 -0.571 194 HG3 MET 24 3HG MET 24 -19.308 16.532 0.946 195 HE1 MET 24 3HE MET 24 -22.341 18.881 1.878 196 HE2 MET 24 1HE MET 24 -22.056 17.525 0.786 197 HE3 MET 24 2HE MET 24 -21.540 17.424 2.470 198 H LYS 25 H LYS 25 -14.716 17.942 -0.316 199 HA LYS 25 HA LYS 25 -14.095 15.212 -0.685 200 HB2 LYS 25 2HB LYS 25 -13.203 16.933 -2.157 201 HB3 LYS 25 3HB LYS 25 -12.321 17.656 -0.818 202 HG2 LYS 25 2HG LYS 25 -11.555 14.944 -0.943 203 HG3 LYS 25 3HG LYS 25 -11.509 15.580 -2.589 204 HD2 LYS 25 2HD LYS 25 -9.378 16.039 -1.746 205 HD3 LYS 25 3HD LYS 25 -10.241 17.569 -1.573 206 HE2 LYS 25 2HE LYS 25 -10.373 17.389 0.715 207 HE3 LYS 25 3HE LYS 25 -10.275 15.629 0.690 208 HZ1 LYS 25 3HZ LYS 25 -7.915 16.937 -0.311 209 HZ2 LYS 25 1HZ LYS 25 -8.062 15.683 0.814 210 HZ3 LYS 25 2HZ LYS 25 -8.241 17.289 1.311 211 H SER 26 H SER 26 -12.856 17.633 1.602 212 HA SER 26 HA SER 26 -11.060 15.868 2.904 213 HB2 SER 26 2HB SER 26 -10.533 17.652 4.249 214 HB3 SER 26 3HB SER 26 -11.306 18.526 2.927 215 HG SER 26 HG SER 26 -12.000 18.936 5.226 216 H LEU 27 H LEU 27 -14.432 16.692 3.393 217 HA LEU 27 HA LEU 27 -14.684 15.443 5.942 218 HB2 LEU 27 2HB LEU 27 -16.452 16.706 3.973 219 HB3 LEU 27 3HB LEU 27 -17.207 15.418 4.908 220 HG LEU 27 HG LEU 27 -16.581 16.607 6.984 221 HD11 LEU 27 1HD1 LEU 27 -16.053 19.127 5.575 222 HD12 LEU 27 2HD1 LEU 27 -14.766 17.926 5.467 223 HD13 LEU 27 3HD1 LEU 27 -15.334 18.471 7.046 224 HD21 LEU 27 3HD2 LEU 27 -18.473 17.840 6.945 225 HD22 LEU 27 1HD2 LEU 27 -18.702 17.033 5.393 226 HD23 LEU 27 2HD2 LEU 27 -18.036 18.665 5.448 227 H ILE 28 H ILE 28 -15.567 14.448 2.643 228 HA ILE 28 HA ILE 28 -16.527 11.890 3.384 229 HB ILE 28 HB ILE 28 -15.514 12.904 0.728 230 HG12 ILE 28 2HG1 ILE 28 -17.561 13.986 1.696 231 HG13 ILE 28 3HG1 ILE 28 -17.834 13.177 0.157 232 HG21 ILE 28 1HG2 ILE 28 -15.474 10.772 0.085 233 HG22 ILE 28 2HG2 ILE 28 -16.218 10.230 1.588 234 HG23 ILE 28 3HG2 ILE 28 -17.229 10.782 0.254 235 HD11 ILE 28 3HD1 ILE 28 -19.613 12.841 1.873 236 HD12 ILE 28 1HD1 ILE 28 -18.922 11.357 1.217 237 HD13 ILE 28 2HD1 ILE 28 -18.440 11.922 2.817 238 H GLU 29 H GLU 29 -13.410 12.982 2.070 239 HA GLU 29 HA GLU 29 -12.191 10.459 1.934 240 HB2 GLU 29 2HB GLU 29 -10.168 11.594 1.572 241 HB3 GLU 29 3HB GLU 29 -11.396 12.679 0.936 242 HG2 GLU 29 2HG GLU 29 -10.132 14.158 2.108 243 HG3 GLU 29 3HG GLU 29 -11.288 13.694 3.356 244 H ASN 30 H ASN 30 -12.586 12.723 4.577 245 HA ASN 30 HA ASN 30 -10.728 11.482 6.341 246 HB2 ASN 30 2HB ASN 30 -12.888 13.528 6.611 247 HB3 ASN 30 3HB ASN 30 -12.270 12.764 8.073 248 HD21 ASN 30 1HD2 ASN 30 -12.028 15.482 7.540 249 HD22 ASN 30 2HD2 ASN 30 -10.354 15.859 7.332 250 H CYS 31 H CYS 31 -14.293 11.447 6.223 251 HA CYS 31 HA CYS 31 -14.619 9.527 8.256 252 HB2 CYS 31 2HB CYS 31 -16.342 10.698 6.134 253 HB3 CYS 31 3HB CYS 31 -16.879 9.188 6.861 254 HG CYS 31 HG CYS 31 -16.007 11.767 8.892 255 H LYS 32 H LYS 32 -14.545 9.211 4.721 256 HA LYS 32 HA LYS 32 -15.022 6.449 4.605 257 HB2 LYS 32 2HB LYS 32 -14.985 8.227 2.715 258 HB3 LYS 32 3HB LYS 32 -13.264 7.873 2.628 259 HG2 LYS 32 2HG LYS 32 -14.542 5.386 2.623 260 HG3 LYS 32 3HG LYS 32 -15.486 6.415 1.543 261 HD2 LYS 32 2HD LYS 32 -12.493 6.301 1.364 262 HD3 LYS 32 3HD LYS 32 -13.504 5.101 0.557 263 HE2 LYS 32 2HE LYS 32 -14.132 6.542 -1.041 264 HE3 LYS 32 3HE LYS 32 -14.363 7.858 0.109 265 HZ1 LYS 32 3HZ LYS 32 -11.608 7.261 -0.189 266 HZ2 LYS 32 1HZ LYS 32 -12.420 8.721 -0.462 267 HZ3 LYS 32 2HZ LYS 32 -12.303 7.574 -1.699 268 H LYS 33 H LYS 33 -12.126 8.285 5.239 269 HA LYS 33 HA LYS 33 -10.198 6.313 4.750 270 HB2 LYS 33 2HB LYS 33 -10.324 8.885 6.115 271 HB3 LYS 33 3HB LYS 33 -9.216 7.768 6.900 272 HG2 LYS 33 2HG LYS 33 -8.801 7.662 4.079 273 HG3 LYS 33 3HG LYS 33 -8.772 9.345 4.612 274 HD2 LYS 33 2HD LYS 33 -7.289 8.172 6.552 275 HD3 LYS 33 3HD LYS 33 -6.897 7.144 5.172 276 HE2 LYS 33 2HE LYS 33 -5.505 8.696 4.412 277 HE3 LYS 33 3HE LYS 33 -6.841 9.840 4.294 278 HZ1 LYS 33 3HZ LYS 33 -6.268 9.856 6.933 279 HZ2 LYS 33 1HZ LYS 33 -5.706 10.991 5.812 280 HZ3 LYS 33 2HZ LYS 33 -4.733 9.677 6.245 281 H ARG 34 H ARG 34 -12.560 6.559 7.207 282 HA ARG 34 HA ARG 34 -11.177 4.973 9.165 283 HB2 ARG 34 2HB ARG 34 -14.130 5.591 8.989 284 HB3 ARG 34 3HB ARG 34 -13.256 5.022 10.405 285 HG2 ARG 34 2HG ARG 34 -12.624 7.631 9.058 286 HG3 ARG 34 3HG ARG 34 -13.832 7.481 10.336 287 HD2 ARG 34 2HD ARG 34 -12.213 6.795 11.916 288 HD3 ARG 34 3HD ARG 34 -11.002 6.522 10.665 289 HE ARG 34 HE ARG 34 -10.483 8.750 10.731 290 HH11 ARG 34 1HH1 ARG 34 -13.539 8.242 12.320 291 HH12 ARG 34 2HH1 ARG 34 -13.646 9.865 12.917 292 HH21 ARG 34 1HH2 ARG 34 -10.612 10.889 11.512 293 HH22 ARG 34 2HH2 ARG 34 -11.981 11.370 12.456 294 H ASN 35 H ASN 35 -12.490 4.232 6.238 295 HA ASN 35 HA ASN 35 -12.941 1.442 7.049 296 HB2 ASN 35 2HB ASN 35 -14.700 3.225 5.429 297 HB3 ASN 35 3HB ASN 35 -14.599 1.527 4.973 298 HD21 ASN 35 1HD2 ASN 35 -15.166 3.642 7.748 299 HD22 ASN 35 2HD2 ASN 35 -16.297 2.598 8.534 300 H MET 36 H MET 36 -12.475 3.539 4.202 301 HA MET 36 HA MET 36 -10.553 1.557 3.182 302 HB2 MET 36 2HB MET 36 -12.786 1.561 1.976 303 HB3 MET 36 3HB MET 36 -12.388 3.182 1.423 304 HG2 MET 36 2HG MET 36 -11.704 1.907 -0.351 305 HG3 MET 36 3HG MET 36 -10.207 2.069 0.564 306 HE1 MET 36 3HE MET 36 -10.832 0.340 -1.659 307 HE2 MET 36 1HE MET 36 -9.739 -0.948 -1.151 308 HE3 MET 36 2HE MET 36 -11.452 -1.290 -1.394 309 HA PRO 37 HA PRO 37 -8.591 5.751 3.532 310 HB2 PRO 37 2HB PRO 37 -6.298 4.841 4.665 311 HB3 PRO 37 3HB PRO 37 -7.735 5.258 5.606 312 HG2 PRO 37 2HG PRO 37 -6.770 2.568 4.713 313 HG3 PRO 37 3HG PRO 37 -7.431 3.055 6.285 314 HD2 PRO 37 2HD PRO 37 -8.909 1.763 4.420 315 HD3 PRO 37 3HD PRO 37 -9.611 2.944 5.544 316 H LEU 38 H LEU 38 -6.719 6.548 2.428 317 HA LEU 38 HA LEU 38 -5.749 4.719 0.332 318 HB2 LEU 38 2HB LEU 38 -7.121 7.026 -0.020 319 HB3 LEU 38 3HB LEU 38 -5.463 7.621 -0.072 320 HG LEU 38 HG LEU 38 -5.436 5.435 -1.773 321 HD11 LEU 38 1HD1 LEU 38 -7.647 6.916 -2.936 322 HD12 LEU 38 2HD1 LEU 38 -8.104 6.051 -1.469 323 HD13 LEU 38 3HD1 LEU 38 -7.384 5.176 -2.820 324 HD21 LEU 38 3HD2 LEU 38 -5.303 8.361 -1.956 325 HD22 LEU 38 1HD2 LEU 38 -5.747 7.543 -3.455 326 HD23 LEU 38 2HD2 LEU 38 -4.240 7.128 -2.636 327 H GLN 39 H GLN 39 -3.681 6.245 -0.660 328 HA GLN 39 HA GLN 39 -1.625 5.691 1.243 329 HB2 GLN 39 2HB GLN 39 -1.372 5.437 -1.233 330 HB3 GLN 39 3HB GLN 39 -1.394 7.191 -1.369 331 HG2 GLN 39 2HG GLN 39 0.834 6.951 -1.290 332 HG3 GLN 39 3HG GLN 39 0.556 6.901 0.450 333 HE21 GLN 39 1HE2 GLN 39 2.810 5.803 -0.409 334 HE22 GLN 39 2HE2 GLN 39 2.736 4.078 -0.359 335 H SER 40 H SER 40 -3.074 8.639 -0.070 336 HA SER 40 HA SER 40 -2.305 10.109 2.286 337 HB2 SER 40 2HB SER 40 -1.043 10.669 -0.391 338 HB3 SER 40 3HB SER 40 -1.215 11.934 0.825 339 HG SER 40 HG SER 40 0.680 11.113 1.374 340 H ILE 41 H ILE 41 -2.988 11.178 -1.032 341 HA ILE 41 HA ILE 41 -5.479 12.391 -0.027 342 HB ILE 41 HB ILE 41 -3.761 13.317 -2.332 343 HG12 ILE 41 2HG1 ILE 41 -4.181 15.180 -0.138 344 HG13 ILE 41 3HG1 ILE 41 -3.387 13.705 0.401 345 HG21 ILE 41 1HG2 ILE 41 -5.846 14.013 -2.973 346 HG22 ILE 41 2HG2 ILE 41 -6.435 14.134 -1.316 347 HG23 ILE 41 3HG2 ILE 41 -5.358 15.373 -1.961 348 HD11 ILE 41 3HD1 ILE 41 -1.465 14.414 -0.416 349 HD12 ILE 41 1HD1 ILE 41 -2.173 14.578 -2.023 350 HD13 ILE 41 2HD1 ILE 41 -2.245 15.924 -0.886 351 HA PRO 42 HA PRO 42 -7.058 9.257 -2.910 352 HB2 PRO 42 2HB PRO 42 -9.540 9.203 -1.810 353 HB3 PRO 42 3HB PRO 42 -8.173 8.302 -1.142 354 HG2 PRO 42 2HG PRO 42 -9.317 10.929 -0.275 355 HG3 PRO 42 3HG PRO 42 -8.777 9.562 0.717 356 HD2 PRO 42 2HD PRO 42 -7.255 11.767 0.324 357 HD3 PRO 42 3HD PRO 42 -6.555 10.151 0.542 358 H GLU 43 H GLU 43 -7.377 10.154 -4.865 359 HA GLU 43 HA GLU 43 -9.796 11.688 -5.303 360 HB2 GLU 43 2HB GLU 43 -8.302 13.500 -4.845 361 HB3 GLU 43 3HB GLU 43 -7.051 12.807 -5.866 362 HG2 GLU 43 2HG GLU 43 -8.169 14.719 -6.911 363 HG3 GLU 43 3HG GLU 43 -8.362 13.235 -7.841 364 H ILE 44 H ILE 44 -10.611 11.463 -7.350 365 HA ILE 44 HA ILE 44 -8.967 10.210 -9.408 366 HB ILE 44 HB ILE 44 -11.555 8.995 -8.434 367 HG12 ILE 44 2HG1 ILE 44 -9.821 6.978 -8.333 368 HG13 ILE 44 3HG1 ILE 44 -8.671 8.296 -8.134 369 HG21 ILE 44 1HG2 ILE 44 -10.519 7.240 -10.236 370 HG22 ILE 44 2HG2 ILE 44 -11.788 8.413 -10.587 371 HG23 ILE 44 3HG2 ILE 44 -10.109 8.789 -10.973 372 HD11 ILE 44 3HD1 ILE 44 -9.130 8.092 -5.965 373 HD12 ILE 44 1HD1 ILE 44 -10.609 8.973 -6.348 374 HD13 ILE 44 2HD1 ILE 44 -10.628 7.211 -6.265 375 H GLY 45 H GLY 45 -9.221 11.454 -11.138 376 HA2 GLY 45 2HA GLY 45 -10.596 12.139 -12.979 377 HA3 GLY 45 3HA GLY 45 -11.944 12.300 -11.864 378 H ASN 46 H ASN 46 -11.979 14.107 -10.414 379 HA ASN 46 HA ASN 46 -10.097 16.163 -10.357 380 HB2 ASN 46 2HB ASN 46 -11.257 16.128 -12.829 381 HB3 ASN 46 3HB ASN 46 -12.303 17.257 -11.973 382 HD21 ASN 46 1HD2 ASN 46 -9.984 17.326 -14.055 383 HD22 ASN 46 2HD2 ASN 46 -9.043 18.671 -13.517 384 H ARG 47 H ARG 47 -11.755 14.875 -8.527 385 HA ARG 47 HA ARG 47 -13.057 15.321 -6.716 386 HB2 ARG 47 2HB ARG 47 -11.870 17.827 -7.435 387 HB3 ARG 47 3HB ARG 47 -13.516 18.113 -6.886 388 HG2 ARG 47 2HG ARG 47 -13.056 17.525 -4.756 389 HG3 ARG 47 3HG ARG 47 -11.882 16.297 -5.232 390 HD2 ARG 47 2HD ARG 47 -10.844 18.812 -6.007 391 HD3 ARG 47 3HD ARG 47 -11.425 18.970 -4.350 392 HE ARG 47 HE ARG 47 -9.752 17.554 -3.653 393 HH11 ARG 47 1HH1 ARG 47 -9.979 17.485 -7.126 394 HH12 ARG 47 2HH1 ARG 47 -8.511 16.589 -7.334 395 HH21 ARG 47 1HH2 ARG 47 -7.817 16.375 -3.914 396 HH22 ARG 47 2HH2 ARG 47 -7.283 15.958 -5.507 397 H LYS 48 H LYS 48 -15.022 14.477 -7.025 398 HA LYS 48 HA LYS 48 -17.095 16.199 -8.146 399 HB2 LYS 48 2HB LYS 48 -16.541 13.386 -9.101 400 HB3 LYS 48 3HB LYS 48 -18.020 14.270 -9.453 401 HG2 LYS 48 2HG LYS 48 -16.955 14.888 -11.315 402 HG3 LYS 48 3HG LYS 48 -16.130 16.044 -10.268 403 HD2 LYS 48 2HD LYS 48 -14.194 15.079 -10.778 404 HD3 LYS 48 3HD LYS 48 -14.761 13.589 -10.020 405 HE2 LYS 48 2HE LYS 48 -15.190 12.598 -11.998 406 HE3 LYS 48 3HE LYS 48 -15.789 14.086 -12.729 407 HZ1 LYS 48 3HZ LYS 48 -12.986 14.209 -12.228 408 HZ2 LYS 48 1HZ LYS 48 -13.830 14.455 -13.673 409 HZ3 LYS 48 2HZ LYS 48 -13.375 12.892 -13.215 410 H ILE 49 H ILE 49 -16.140 14.769 -5.550 411 HA ILE 49 HA ILE 49 -18.489 13.199 -4.881 412 HB ILE 49 HB ILE 49 -16.306 14.006 -2.973 413 HG12 ILE 49 2HG1 ILE 49 -15.674 11.455 -3.763 414 HG13 ILE 49 3HG1 ILE 49 -16.188 12.188 -5.278 415 HG21 ILE 49 1HG2 ILE 49 -18.360 11.820 -3.070 416 HG22 ILE 49 2HG2 ILE 49 -16.938 11.716 -2.033 417 HG23 ILE 49 3HG2 ILE 49 -18.094 13.030 -1.815 418 HD11 ILE 49 3HD1 ILE 49 -14.557 14.112 -4.283 419 HD12 ILE 49 1HD1 ILE 49 -13.783 12.647 -3.682 420 HD13 ILE 49 2HD1 ILE 49 -14.061 12.851 -5.412 421 H ASN 50 H ASN 50 -17.877 16.408 -5.056 422 HA ASN 50 HA ASN 50 -19.002 17.314 -2.586 423 HB2 ASN 50 2HB ASN 50 -17.435 18.669 -3.984 424 HB3 ASN 50 3HB ASN 50 -18.713 18.834 -5.185 425 HD21 ASN 50 1HD2 ASN 50 -18.851 21.039 -5.009 426 HD22 ASN 50 2HD2 ASN 50 -19.488 21.833 -3.613 427 H LEU 51 H LEU 51 -21.031 18.362 -2.302 428 HA LEU 51 HA LEU 51 -23.190 17.012 -3.587 429 HB2 LEU 51 2HB LEU 51 -22.888 18.182 -1.182 430 HB3 LEU 51 3HB LEU 51 -23.747 19.462 -2.036 431 HG LEU 51 HG LEU 51 -25.472 17.656 -2.617 432 HD11 LEU 51 1HD1 LEU 51 -25.591 15.749 -1.179 433 HD12 LEU 51 2HD1 LEU 51 -24.182 16.286 -0.265 434 HD13 LEU 51 3HD1 LEU 51 -24.000 15.767 -1.940 435 HD21 LEU 51 3HD2 LEU 51 -25.525 19.534 -0.812 436 HD22 LEU 51 1HD2 LEU 51 -25.360 18.192 0.320 437 HD23 LEU 51 2HD2 LEU 51 -26.736 18.251 -0.782 438 H PHE 52 H PHE 52 -21.477 19.921 -4.196 439 HA PHE 52 HA PHE 52 -23.613 20.996 -5.878 440 HB2 PHE 52 2HB PHE 52 -21.680 22.203 -4.270 441 HB3 PHE 52 3HB PHE 52 -21.126 22.496 -5.915 442 HD1 PHE 52 HD2 PHE 52 -24.410 22.498 -4.132 443 HD2 PHE 52 HD1 PHE 52 -21.746 24.525 -6.761 444 HE1 PHE 52 HE2 PHE 52 -26.025 24.342 -4.342 445 HE2 PHE 52 HE1 PHE 52 -23.356 26.373 -6.974 446 HZ PHE 52 HZ PHE 52 -25.500 26.282 -5.764 447 H TYR 53 H TYR 53 -20.398 19.608 -6.070 448 HA TYR 53 HA TYR 53 -20.028 20.139 -8.852 449 HB2 TYR 53 2HB TYR 53 -18.273 19.579 -6.984 450 HB3 TYR 53 3HB TYR 53 -18.615 17.912 -7.432 451 HD1 TYR 53 HD2 TYR 53 -18.631 17.572 -10.122 452 HD2 TYR 53 HD1 TYR 53 -16.455 20.551 -8.003 453 HE1 TYR 53 HE2 TYR 53 -17.055 17.750 -12.002 454 HE2 TYR 53 HE1 TYR 53 -14.873 20.738 -9.877 455 HH TYR 53 HH TYR 53 -15.413 19.807 -12.837 456 H LEU 54 H LEU 54 -20.857 17.209 -7.007 457 HA LEU 54 HA LEU 54 -21.165 15.496 -9.197 458 HB2 LEU 54 2HB LEU 54 -21.121 15.038 -6.632 459 HB3 LEU 54 3HB LEU 54 -22.868 15.234 -6.755 460 HG LEU 54 HG LEU 54 -21.776 13.367 -8.717 461 HD11 LEU 54 1HD1 LEU 54 -21.770 11.707 -6.555 462 HD12 LEU 54 2HD1 LEU 54 -20.973 13.143 -5.914 463 HD13 LEU 54 3HD1 LEU 54 -20.330 12.346 -7.350 464 HD21 LEU 54 3HD2 LEU 54 -23.704 12.431 -6.736 465 HD22 LEU 54 1HD2 LEU 54 -23.811 12.469 -8.496 466 HD23 LEU 54 2HD2 LEU 54 -24.200 13.911 -7.558 467 H TYR 55 H TYR 55 -23.332 17.839 -7.772 468 HA TYR 55 HA TYR 55 -25.661 16.927 -9.177 469 HB2 TYR 55 2HB TYR 55 -25.551 18.281 -6.977 470 HB3 TYR 55 3HB TYR 55 -25.333 19.683 -8.018 471 HD1 TYR 55 HD1 TYR 55 -27.568 16.677 -7.994 472 HD2 TYR 55 HD2 TYR 55 -27.253 20.907 -8.330 473 HE1 TYR 55 HE1 TYR 55 -30.005 16.829 -8.288 474 HE2 TYR 55 HE2 TYR 55 -29.689 21.071 -8.624 475 HH TYR 55 HH TYR 55 -31.775 18.263 -8.278 476 H MET 56 H MET 56 -23.381 19.621 -9.562 477 HA MET 56 HA MET 56 -24.594 20.836 -11.767 478 HB2 MET 56 2HB MET 56 -21.928 20.883 -10.506 479 HB3 MET 56 3HB MET 56 -21.957 21.342 -12.203 480 HG2 MET 56 2HG MET 56 -24.078 22.625 -10.720 481 HG3 MET 56 3HG MET 56 -22.496 22.963 -10.023 482 HE1 MET 56 3HE MET 56 -24.992 24.251 -12.769 483 HE2 MET 56 1HE MET 56 -23.991 24.056 -14.208 484 HE3 MET 56 2HE MET 56 -24.455 22.644 -13.259 485 H LEU 57 H LEU 57 -22.262 18.190 -11.583 486 HA LEU 57 HA LEU 57 -21.711 17.978 -14.329 487 HB2 LEU 57 2HB LEU 57 -20.665 16.829 -12.198 488 HB3 LEU 57 3HB LEU 57 -21.796 15.544 -12.617 489 HG LEU 57 HG LEU 57 -20.705 15.633 -14.948 490 HD11 LEU 57 1HD1 LEU 57 -18.162 16.276 -14.420 491 HD12 LEU 57 2HD1 LEU 57 -18.977 17.445 -13.382 492 HD13 LEU 57 3HD1 LEU 57 -19.321 17.412 -15.111 493 HD21 LEU 57 3HD2 LEU 57 -18.576 14.472 -13.651 494 HD22 LEU 57 1HD2 LEU 57 -20.093 13.675 -14.071 495 HD23 LEU 57 2HD2 LEU 57 -19.876 14.365 -12.462 496 H VAL 58 H VAL 58 -24.091 16.277 -12.306 497 HA VAL 58 HA VAL 58 -25.191 14.662 -14.304 498 HB VAL 58 HB VAL 58 -26.619 15.824 -11.908 499 HG11 VAL 58 1HG1 VAL 58 -28.338 14.921 -13.119 500 HG12 VAL 58 2HG1 VAL 58 -27.305 13.721 -13.898 501 HG13 VAL 58 3HG1 VAL 58 -27.811 13.497 -12.223 502 HG21 VAL 58 3HG2 VAL 58 -25.456 14.452 -10.598 503 HG22 VAL 58 1HG2 VAL 58 -25.787 13.079 -11.655 504 HG23 VAL 58 2HG2 VAL 58 -24.402 14.123 -11.974 505 H GLN 59 H GLN 59 -26.245 17.856 -13.138 506 HA GLN 59 HA GLN 59 -28.432 18.143 -14.865 507 HB2 GLN 59 2HB GLN 59 -28.025 19.563 -12.881 508 HB3 GLN 59 3HB GLN 59 -26.676 20.319 -13.717 509 HG2 GLN 59 2HG GLN 59 -28.361 20.975 -15.505 510 HG3 GLN 59 3HG GLN 59 -29.601 20.516 -14.340 511 HE21 GLN 59 1HE2 GLN 59 -26.836 22.632 -14.851 512 HE22 GLN 59 2HE2 GLN 59 -27.355 23.876 -13.771 513 H LYS 60 H LYS 60 -25.015 18.809 -15.305 514 HA LYS 60 HA LYS 60 -25.270 20.257 -17.734 515 HB2 LYS 60 2HB LYS 60 -23.092 19.113 -16.127 516 HB3 LYS 60 3HB LYS 60 -22.767 19.148 -17.855 517 HG2 LYS 60 2HG LYS 60 -23.332 21.571 -17.846 518 HG3 LYS 60 3HG LYS 60 -23.455 21.484 -16.088 519 HD2 LYS 60 2HD LYS 60 -21.247 21.657 -15.874 520 HD3 LYS 60 3HD LYS 60 -20.992 20.294 -16.966 521 HE2 LYS 60 2HE LYS 60 -21.532 23.117 -17.874 522 HE3 LYS 60 3HE LYS 60 -19.919 22.427 -17.701 523 HZ1 LYS 60 3HZ LYS 60 -20.380 20.843 -19.387 524 HZ2 LYS 60 1HZ LYS 60 -20.852 22.350 -19.993 525 HZ3 LYS 60 2HZ LYS 60 -22.019 21.258 -19.440 526 H PHE 61 H PHE 61 -24.904 16.848 -16.952 527 HA PHE 61 HA PHE 61 -24.518 16.021 -19.669 528 HB2 PHE 61 2HB PHE 61 -24.755 14.712 -17.033 529 HB3 PHE 61 3HB PHE 61 -25.319 13.756 -18.399 530 HD1 PHE 61 HD2 PHE 61 -22.411 15.882 -17.431 531 HD2 PHE 61 HD1 PHE 61 -23.801 12.418 -19.476 532 HE1 PHE 61 HE2 PHE 61 -20.088 15.261 -17.950 533 HE2 PHE 61 HE1 PHE 61 -21.479 11.790 -19.998 534 HZ PHE 61 HZ PHE 61 -19.619 13.213 -19.236 535 H GLY 62 H GLY 62 -27.183 17.104 -17.971 536 HA2 GLY 62 2HA GLY 62 -29.288 17.416 -19.042 537 HA3 GLY 62 3HA GLY 62 -28.972 15.986 -20.013 538 H GLY 63 H GLY 63 -28.299 15.797 -16.638 539 HA2 GLY 63 2HA GLY 63 -29.664 15.026 -14.874 540 HA3 GLY 63 3HA GLY 63 -30.921 14.649 -16.043 541 H ALA 64 H ALA 64 -29.993 12.941 -13.945 542 HA ALA 64 HA ALA 64 -28.142 11.020 -14.638 543 HB1 ALA 64 1HB ALA 64 -30.696 10.219 -13.305 544 HB2 ALA 64 2HB ALA 64 -29.047 9.686 -12.977 545 HB3 ALA 64 3HB ALA 64 -29.565 11.301 -12.491 546 H ASP 65 H ASP 65 -31.417 11.437 -15.798 547 HA ASP 65 HA ASP 65 -31.749 8.900 -16.986 548 HB2 ASP 65 2HB ASP 65 -33.229 11.318 -16.795 549 HB3 ASP 65 3HB ASP 65 -33.134 10.892 -18.501 550 H GLN 66 H GLN 66 -30.318 11.903 -18.138 551 HA GLN 66 HA GLN 66 -30.021 11.086 -20.842 552 HB2 GLN 66 2HB GLN 66 -29.876 13.463 -19.725 553 HB3 GLN 66 3HB GLN 66 -28.170 13.065 -19.576 554 HG2 GLN 66 2HG GLN 66 -27.793 13.499 -21.716 555 HG3 GLN 66 3HG GLN 66 -29.152 12.501 -22.230 556 HE21 GLN 66 1HE2 GLN 66 -31.319 13.698 -21.343 557 HE22 GLN 66 2HE2 GLN 66 -31.461 15.310 -21.947 558 H VAL 67 H VAL 67 -27.978 10.862 -17.983 559 HA VAL 67 HA VAL 67 -25.633 9.991 -19.310 560 HB VAL 67 HB VAL 67 -26.417 9.355 -16.466 561 HG11 VAL 67 1HG1 VAL 67 -23.633 9.955 -17.040 562 HG12 VAL 67 2HG1 VAL 67 -24.342 8.580 -16.191 563 HG13 VAL 67 3HG1 VAL 67 -24.226 8.566 -17.951 564 HG21 VAL 67 3HG2 VAL 67 -26.686 11.723 -16.768 565 HG22 VAL 67 1HG2 VAL 67 -25.188 11.437 -15.882 566 HG23 VAL 67 2HG2 VAL 67 -25.135 11.838 -17.599 567 H THR 68 H THR 68 -28.437 8.320 -18.014 568 HA THR 68 HA THR 68 -27.276 5.703 -18.473 569 HB THR 68 HB THR 68 -28.755 6.025 -16.543 570 HG1 THR 68 HG1 THR 68 -28.788 3.946 -17.264 571 HG21 THR 68 3HG2 THR 68 -30.943 6.473 -18.575 572 HG22 THR 68 1HG2 THR 68 -30.236 7.724 -17.555 573 HG23 THR 68 2HG2 THR 68 -31.138 6.396 -16.824 574 H ARG 69 H ARG 69 -29.391 7.939 -20.084 575 HA ARG 69 HA ARG 69 -30.776 6.264 -21.809 576 HB2 ARG 69 2HB ARG 69 -31.199 8.685 -21.580 577 HB3 ARG 69 3HB ARG 69 -29.687 9.018 -22.413 578 HG2 ARG 69 2HG ARG 69 -31.519 7.252 -23.868 579 HG3 ARG 69 3HG ARG 69 -32.115 8.892 -23.605 580 HD2 ARG 69 2HD ARG 69 -29.317 8.703 -24.486 581 HD3 ARG 69 3HD ARG 69 -30.509 8.149 -25.660 582 HE ARG 69 HE ARG 69 -29.970 10.836 -24.931 583 HH11 ARG 69 1HH1 ARG 69 -32.555 8.684 -25.828 584 HH12 ARG 69 2HH1 ARG 69 -33.546 9.941 -26.492 585 HH21 ARG 69 1HH2 ARG 69 -31.266 12.500 -25.802 586 HH22 ARG 69 2HH2 ARG 69 -32.811 12.111 -26.478 587 H THR 70 H THR 70 -27.519 7.602 -22.100 588 HA THR 70 HA THR 70 -27.118 6.058 -24.566 589 HB THR 70 HB THR 70 -26.523 8.420 -24.733 590 HG1 THR 70 HG1 THR 70 -25.049 7.616 -26.014 591 HG21 THR 70 3HG2 THR 70 -24.222 8.817 -23.333 592 HG22 THR 70 1HG2 THR 70 -25.155 7.844 -22.197 593 HG23 THR 70 2HG2 THR 70 -25.816 9.360 -22.810 594 H GLN 71 H GLN 71 -26.884 5.458 -21.434 595 HA GLN 71 HA GLN 71 -25.681 4.044 -20.119 596 HB2 GLN 71 2HB GLN 71 -24.679 2.965 -22.760 597 HB3 GLN 71 3HB GLN 71 -24.622 2.136 -21.210 598 HG2 GLN 71 2HG GLN 71 -26.639 1.305 -21.544 599 HG3 GLN 71 3HG GLN 71 -27.307 2.927 -21.724 600 HE21 GLN 71 1HE2 GLN 71 -27.224 0.070 -23.165 601 HE22 GLN 71 2HE2 GLN 71 -27.310 0.535 -24.826 602 H GLN 72 H GLN 72 -24.538 6.466 -20.241 603 HA GLN 72 HA GLN 72 -21.675 6.001 -20.713 604 HB2 GLN 72 2HB GLN 72 -23.044 8.018 -21.690 605 HB3 GLN 72 3HB GLN 72 -22.812 8.697 -20.084 606 HG2 GLN 72 2HG GLN 72 -21.046 9.561 -21.308 607 HG3 GLN 72 3HG GLN 72 -20.326 8.202 -20.446 608 HE21 GLN 72 1HE2 GLN 72 -19.813 9.651 -23.084 609 HE22 GLN 72 2HE2 GLN 72 -19.631 8.366 -24.224 610 H TRP 73 H TRP 73 -23.980 6.174 -18.264 611 HA TRP 73 HA TRP 73 -22.700 7.439 -16.163 612 HB2 TRP 73 2HB TRP 73 -24.040 5.992 -14.678 613 HB3 TRP 73 3HB TRP 73 -24.999 6.641 -16.005 614 HD1 TRP 73 HD1 TRP 73 -25.504 4.863 -18.074 615 HE1 TRP 73 HE1 TRP 73 -25.899 2.322 -17.966 616 HE3 TRP 73 HE3 TRP 73 -23.472 3.920 -13.478 617 HZ2 TRP 73 HZ2 TRP 73 -25.414 0.199 -16.170 618 HZ3 TRP 73 HZ3 TRP 73 -23.478 1.607 -12.638 619 HH2 TRP 73 HH2 TRP 73 -24.429 -0.213 -13.958 620 H SER 74 H SER 74 -22.167 4.239 -17.497 621 HA SER 74 HA SER 74 -20.590 3.187 -15.421 622 HB2 SER 74 2HB SER 74 -21.273 1.560 -16.923 623 HB3 SER 74 3HB SER 74 -20.931 2.567 -18.330 624 HG SER 74 HG SER 74 -19.029 1.702 -18.409 625 H MET 75 H MET 75 -19.695 4.939 -18.377 626 HA MET 75 HA MET 75 -16.896 4.878 -17.822 627 HB2 MET 75 2HB MET 75 -18.087 5.198 -20.092 628 HB3 MET 75 3HB MET 75 -18.233 6.885 -19.619 629 HG2 MET 75 2HG MET 75 -16.276 7.068 -20.700 630 HG3 MET 75 3HG MET 75 -15.620 6.518 -19.160 631 HE1 MET 75 3HE MET 75 -13.633 4.948 -22.263 632 HE2 MET 75 1HE MET 75 -15.007 5.852 -22.900 633 HE3 MET 75 2HE MET 75 -14.047 6.521 -21.581 634 H VAL 76 H VAL 76 -19.421 7.357 -17.505 635 HA VAL 76 HA VAL 76 -17.793 9.431 -16.568 636 HB VAL 76 HB VAL 76 -20.692 8.909 -15.896 637 HG11 VAL 76 1HG1 VAL 76 -20.272 10.580 -14.433 638 HG12 VAL 76 2HG1 VAL 76 -18.838 11.128 -15.303 639 HG13 VAL 76 3HG1 VAL 76 -20.444 11.583 -15.873 640 HG21 VAL 76 3HG2 VAL 76 -19.508 9.451 -18.372 641 HG22 VAL 76 1HG2 VAL 76 -21.221 9.535 -17.962 642 HG23 VAL 76 2HG2 VAL 76 -20.214 10.977 -17.839 643 H ALA 77 H ALA 77 -19.631 6.972 -14.778 644 HA ALA 77 HA ALA 77 -19.096 7.826 -12.193 645 HB1 ALA 77 1HB ALA 77 -20.699 6.134 -12.443 646 HB2 ALA 77 2HB ALA 77 -19.587 5.091 -13.331 647 HB3 ALA 77 3HB ALA 77 -19.354 5.360 -11.604 648 H GLN 78 H GLN 78 -17.131 5.873 -14.374 649 HA GLN 78 HA GLN 78 -15.170 5.092 -12.512 650 HB2 GLN 78 2HB GLN 78 -15.543 4.159 -14.840 651 HB3 GLN 78 3HB GLN 78 -14.700 5.575 -15.453 652 HG2 GLN 78 2HG GLN 78 -13.105 4.428 -13.412 653 HG3 GLN 78 3HG GLN 78 -13.617 3.138 -14.498 654 HE21 GLN 78 1HE2 GLN 78 -11.447 5.647 -14.001 655 HE22 GLN 78 2HE2 GLN 78 -10.745 5.697 -15.579 656 H ARG 79 H ARG 79 -15.614 8.011 -14.390 657 HA ARG 79 HA ARG 79 -13.060 9.115 -14.178 658 HB2 ARG 79 2HB ARG 79 -15.484 9.916 -15.228 659 HB3 ARG 79 3HB ARG 79 -15.217 11.072 -13.930 660 HG2 ARG 79 2HG ARG 79 -14.246 12.099 -15.759 661 HG3 ARG 79 3HG ARG 79 -12.869 11.346 -14.951 662 HD2 ARG 79 2HD ARG 79 -12.435 10.599 -17.041 663 HD3 ARG 79 3HD ARG 79 -13.576 9.338 -16.574 664 HE ARG 79 HE ARG 79 -15.079 10.179 -18.088 665 HH11 ARG 79 1HH1 ARG 79 -12.532 12.498 -17.579 666 HH12 ARG 79 2HH1 ARG 79 -13.041 13.535 -18.869 667 HH21 ARG 79 1HH2 ARG 79 -15.759 11.537 -19.790 668 HH22 ARG 79 2HH2 ARG 79 -14.877 12.989 -20.126 669 H LEU 80 H LEU 80 -15.820 9.288 -11.966 670 HA LEU 80 HA LEU 80 -14.185 10.742 -10.023 671 HB2 LEU 80 2HB LEU 80 -16.394 10.791 -8.747 672 HB3 LEU 80 3HB LEU 80 -16.271 11.753 -10.219 673 HG LEU 80 HG LEU 80 -17.420 9.025 -10.459 674 HD11 LEU 80 1HD1 LEU 80 -18.429 10.015 -8.394 675 HD12 LEU 80 2HD1 LEU 80 -19.576 9.673 -9.689 676 HD13 LEU 80 3HD1 LEU 80 -19.043 11.329 -9.399 677 HD21 LEU 80 3HD2 LEU 80 -18.480 11.570 -11.618 678 HD22 LEU 80 1HD2 LEU 80 -18.552 9.930 -12.261 679 HD23 LEU 80 2HD2 LEU 80 -17.031 10.821 -12.290 680 H GLN 81 H GLN 81 -14.813 7.611 -10.827 681 HA GLN 81 HA GLN 81 -14.456 5.616 -9.794 682 HB2 GLN 81 2HB GLN 81 -12.569 7.216 -8.759 683 HB3 GLN 81 3HB GLN 81 -13.465 6.862 -7.288 684 HG2 GLN 81 2HG GLN 81 -12.888 4.509 -8.920 685 HG3 GLN 81 3HG GLN 81 -11.455 5.342 -8.320 686 HE21 GLN 81 1HE2 GLN 81 -14.144 3.371 -7.536 687 HE22 GLN 81 2HE2 GLN 81 -13.785 3.156 -5.860 688 H ILE 82 H ILE 82 -16.998 6.478 -9.658 689 HA ILE 82 HA ILE 82 -17.856 6.057 -6.878 690 HB ILE 82 HB ILE 82 -18.709 8.092 -8.000 691 HG12 ILE 82 2HG1 ILE 82 -20.874 6.051 -7.453 692 HG13 ILE 82 3HG1 ILE 82 -19.991 6.928 -6.208 693 HG21 ILE 82 1HG2 ILE 82 -20.444 7.808 -9.762 694 HG22 ILE 82 2HG2 ILE 82 -18.821 7.351 -10.275 695 HG23 ILE 82 3HG2 ILE 82 -19.999 6.105 -9.862 696 HD11 ILE 82 3HD1 ILE 82 -20.848 9.045 -7.235 697 HD12 ILE 82 1HD1 ILE 82 -21.887 8.045 -8.251 698 HD13 ILE 82 2HD1 ILE 82 -22.072 8.012 -6.497 699 H SER 83 H SER 83 -17.881 4.677 -10.047 700 HA SER 83 HA SER 83 -19.243 2.316 -8.985 701 HB2 SER 83 2HB SER 83 -19.961 3.360 -11.718 702 HB3 SER 83 3HB SER 83 -20.804 2.154 -10.747 703 HG SER 83 HG SER 83 -20.998 4.089 -9.216 704 H ASP 84 H ASP 84 -16.932 1.694 -8.988 705 HA ASP 84 HA ASP 84 -15.852 1.085 -11.639 706 HB2 ASP 84 2HB ASP 84 -14.686 1.293 -8.894 707 HB3 ASP 84 3HB ASP 84 -13.875 0.278 -10.083 708 H TYR 85 H TYR 85 -17.904 -0.459 -11.470 709 HA TYR 85 HA TYR 85 -18.570 -2.631 -11.649 710 HB2 TYR 85 2HB TYR 85 -15.816 -3.519 -10.820 711 HB3 TYR 85 3HB TYR 85 -16.972 -4.355 -11.850 712 HD1 TYR 85 HD2 TYR 85 -17.732 -2.358 -13.806 713 HD2 TYR 85 HD1 TYR 85 -13.917 -3.117 -12.081 714 HE1 TYR 85 HE2 TYR 85 -16.649 -1.408 -15.799 715 HE2 TYR 85 HE1 TYR 85 -12.823 -2.168 -14.069 716 HH TYR 85 HH TYR 85 -13.237 -1.663 -16.334 717 H GLN 86 H GLN 86 -17.161 -4.728 -9.911 718 HA GLN 86 HA GLN 86 -18.984 -4.881 -7.851 719 HB2 GLN 86 2HB GLN 86 -17.449 -6.465 -6.782 720 HB3 GLN 86 3HB GLN 86 -17.561 -6.754 -8.513 721 HG2 GLN 86 2HG GLN 86 -15.442 -5.610 -8.856 722 HG3 GLN 86 3HG GLN 86 -15.332 -5.279 -7.128 723 HE21 GLN 86 1HE2 GLN 86 -15.324 -7.801 -9.561 724 HE22 GLN 86 2HE2 GLN 86 -14.499 -8.981 -8.608 725 H GLN 87 H GLN 87 -15.956 -3.126 -7.981 726 HA GLN 87 HA GLN 87 -15.602 -2.589 -5.266 727 HB2 GLN 87 2HB GLN 87 -14.523 -1.649 -7.762 728 HB3 GLN 87 3HB GLN 87 -14.785 -0.290 -6.677 729 HG2 GLN 87 2HG GLN 87 -12.732 -0.823 -5.952 730 HG3 GLN 87 3HG GLN 87 -13.608 -2.006 -4.983 731 HE21 GLN 87 1HE2 GLN 87 -11.024 -1.614 -6.922 732 HE22 GLN 87 2HE2 GLN 87 -10.830 -3.230 -7.501 733 H LEU 88 H LEU 88 -17.836 -1.270 -7.566 734 HA LEU 88 HA LEU 88 -18.483 1.169 -6.427 735 HB2 LEU 88 2HB LEU 88 -20.369 1.154 -7.734 736 HB3 LEU 88 3HB LEU 88 -19.345 -0.010 -8.573 737 HG LEU 88 HG LEU 88 -20.691 -1.713 -7.032 738 HD11 LEU 88 1HD1 LEU 88 -22.223 0.795 -6.950 739 HD12 LEU 88 2HD1 LEU 88 -22.239 -0.587 -5.855 740 HD13 LEU 88 3HD1 LEU 88 -23.150 -0.648 -7.364 741 HD21 LEU 88 3HD2 LEU 88 -21.334 -2.416 -9.037 742 HD22 LEU 88 1HD2 LEU 88 -20.733 -0.904 -9.718 743 HD23 LEU 88 2HD2 LEU 88 -22.420 -1.038 -9.221 744 H GLU 89 H GLU 89 -19.220 -2.045 -5.341 745 HA GLU 89 HA GLU 89 -21.361 -1.393 -3.601 746 HB2 GLU 89 2HB GLU 89 -20.007 -3.726 -4.394 747 HB3 GLU 89 3HB GLU 89 -19.812 -3.633 -2.650 748 HG2 GLU 89 2HG GLU 89 -22.265 -3.379 -2.436 749 HG3 GLU 89 3HG GLU 89 -22.404 -3.619 -4.177 750 H SER 90 H SER 90 -17.872 -1.791 -3.075 751 HA SER 90 HA SER 90 -17.941 -1.265 -0.296 752 HB2 SER 90 2HB SER 90 -15.595 -1.295 -0.374 753 HB3 SER 90 3HB SER 90 -16.061 -2.344 -1.713 754 HG SER 90 HG SER 90 -15.814 -0.463 -3.078 755 H ILE 91 H ILE 91 -17.345 0.794 -3.115 756 HA ILE 91 HA ILE 91 -16.726 3.145 -1.687 757 HB ILE 91 HB ILE 91 -17.933 2.893 -4.445 758 HG12 ILE 91 2HG1 ILE 91 -15.800 1.674 -4.187 759 HG13 ILE 91 3HG1 ILE 91 -15.638 3.060 -5.259 760 HG21 ILE 91 1HG2 ILE 91 -18.237 5.123 -3.808 761 HG22 ILE 91 2HG2 ILE 91 -16.691 5.186 -2.963 762 HG23 ILE 91 3HG2 ILE 91 -16.730 5.135 -4.725 763 HD11 ILE 91 3HD1 ILE 91 -13.987 3.841 -4.023 764 HD12 ILE 91 1HD1 ILE 91 -15.035 3.885 -2.605 765 HD13 ILE 91 2HD1 ILE 91 -14.116 2.426 -2.979 766 H TYR 92 H TYR 92 -19.776 1.887 -2.976 767 HA TYR 92 HA TYR 92 -21.357 4.127 -2.300 768 HB2 TYR 92 2HB TYR 92 -21.958 2.242 -3.895 769 HB3 TYR 92 3HB TYR 92 -22.339 1.278 -2.473 770 HD1 TYR 92 HD2 TYR 92 -23.360 4.130 -4.536 771 HD2 TYR 92 HD1 TYR 92 -24.305 1.750 -1.137 772 HE1 TYR 92 HE2 TYR 92 -25.622 5.095 -4.496 773 HE2 TYR 92 HE1 TYR 92 -26.570 2.708 -1.089 774 HH TYR 92 HH TYR 92 -27.450 5.422 -2.514 775 H PHE 93 H PHE 93 -20.520 1.175 -0.559 776 HA PHE 93 HA PHE 93 -22.272 1.553 1.623 777 HB2 PHE 93 2HB PHE 93 -20.738 -0.499 0.847 778 HB3 PHE 93 3HB PHE 93 -19.672 0.180 2.074 779 HD1 PHE 93 HD1 PHE 93 -21.224 0.966 4.248 780 HD2 PHE 93 HD2 PHE 93 -21.924 -2.297 1.606 781 HE1 PHE 93 HE1 PHE 93 -22.518 -0.173 6.004 782 HE2 PHE 93 HE2 PHE 93 -23.219 -3.441 3.357 783 HZ PHE 93 HZ PHE 93 -23.518 -2.379 5.559 784 H ARG 94 H ARG 94 -18.828 2.333 1.202 785 HA ARG 94 HA ARG 94 -18.445 3.468 3.746 786 HB2 ARG 94 2HB ARG 94 -16.972 3.335 1.215 787 HB3 ARG 94 3HB ARG 94 -16.654 4.796 2.140 788 HG2 ARG 94 2HG ARG 94 -15.022 3.255 2.813 789 HG3 ARG 94 3HG ARG 94 -16.208 3.280 4.119 790 HD2 ARG 94 2HD ARG 94 -16.571 1.291 1.943 791 HD3 ARG 94 3HD ARG 94 -15.273 1.014 3.105 792 HE ARG 94 HE ARG 94 -17.703 1.622 4.432 793 HH11 ARG 94 1HH1 ARG 94 -16.064 -0.921 2.711 794 HH12 ARG 94 2HH1 ARG 94 -16.911 -2.195 3.523 795 HH21 ARG 94 1HH2 ARG 94 -18.826 -0.046 5.509 796 HH22 ARG 94 2HH2 ARG 94 -18.483 -1.696 5.114 797 H ILE 95 H ILE 95 -19.526 4.839 0.688 798 HA ILE 95 HA ILE 95 -19.492 7.549 1.596 799 HB ILE 95 HB ILE 95 -20.420 6.135 -0.835 800 HG12 ILE 95 2HG1 ILE 95 -19.282 8.138 -1.875 801 HG13 ILE 95 3HG1 ILE 95 -18.878 8.666 -0.245 802 HG21 ILE 95 1HG2 ILE 95 -21.599 8.737 0.100 803 HG22 ILE 95 2HG2 ILE 95 -21.569 8.258 -1.596 804 HG23 ILE 95 3HG2 ILE 95 -22.443 7.278 -0.419 805 HD11 ILE 95 3HD1 ILE 95 -17.766 6.386 0.021 806 HD12 ILE 95 1HD1 ILE 95 -17.895 6.263 -1.733 807 HD13 ILE 95 2HD1 ILE 95 -16.968 7.577 -1.007 808 H LEU 96 H LEU 96 -21.791 4.938 1.685 809 HA LEU 96 HA LEU 96 -24.000 6.672 2.415 810 HB2 LEU 96 2HB LEU 96 -24.188 4.560 1.016 811 HB3 LEU 96 3HB LEU 96 -23.944 3.668 2.516 812 HG LEU 96 HG LEU 96 -25.992 4.994 3.369 813 HD11 LEU 96 1HD1 LEU 96 -26.090 5.496 0.420 814 HD12 LEU 96 2HD1 LEU 96 -26.362 6.618 1.753 815 HD13 LEU 96 3HD1 LEU 96 -27.571 5.391 1.373 816 HD21 LEU 96 3HD2 LEU 96 -27.499 3.340 2.032 817 HD22 LEU 96 1HD2 LEU 96 -26.310 2.719 3.178 818 HD23 LEU 96 2HD2 LEU 96 -25.959 2.706 1.449 819 H LEU 97 H LEU 97 -21.421 5.200 3.984 820 HA LEU 97 HA LEU 97 -22.318 4.220 6.358 821 HB2 LEU 97 2HB LEU 97 -19.938 5.873 5.645 822 HB3 LEU 97 3HB LEU 97 -20.241 5.476 7.335 823 HG LEU 97 HG LEU 97 -19.883 3.451 5.127 824 HD11 LEU 97 1HD1 LEU 97 -17.695 3.034 6.120 825 HD12 LEU 97 2HD1 LEU 97 -17.953 4.355 7.260 826 HD13 LEU 97 3HD1 LEU 97 -17.824 4.693 5.534 827 HD21 LEU 97 3HD2 LEU 97 -20.044 3.151 8.124 828 HD22 LEU 97 1HD2 LEU 97 -19.685 1.858 6.979 829 HD23 LEU 97 2HD2 LEU 97 -21.265 2.642 6.957 830 HA PRO 98 HA PRO 98 -24.353 7.357 8.653 831 HB2 PRO 98 2HB PRO 98 -23.500 6.863 11.182 832 HB3 PRO 98 3HB PRO 98 -24.635 5.810 10.328 833 HG2 PRO 98 2HG PRO 98 -21.683 5.496 10.713 834 HG3 PRO 98 3HG PRO 98 -22.964 4.276 10.837 835 HD2 PRO 98 2HD PRO 98 -21.394 4.522 8.645 836 HD3 PRO 98 3HD PRO 98 -23.084 3.988 8.553 837 H TYR 99 H TYR 99 -20.892 7.034 9.357 838 HA TYR 99 HA TYR 99 -20.614 9.610 10.525 839 HB2 TYR 99 2HB TYR 99 -18.428 7.984 9.223 840 HB3 TYR 99 3HB TYR 99 -18.255 9.202 10.481 841 HD1 TYR 99 HD1 TYR 99 -19.247 8.708 12.772 842 HD2 TYR 99 HD2 TYR 99 -18.755 5.726 9.777 843 HE1 TYR 99 HE1 TYR 99 -19.411 6.960 14.494 844 HE2 TYR 99 HE2 TYR 99 -18.918 3.970 11.490 845 HH TYR 99 HH TYR 99 -19.660 4.745 14.852 846 H GLU 100 H GLU 100 -19.986 8.321 7.281 847 HA GLU 100 HA GLU 100 -18.951 10.708 6.188 848 HB2 GLU 100 2HB GLU 100 -19.876 8.106 5.171 849 HB3 GLU 100 3HB GLU 100 -20.048 9.437 4.034 850 HG2 GLU 100 2HG GLU 100 -17.562 9.923 4.759 851 HG3 GLU 100 3HG GLU 100 -17.594 8.208 5.165 852 H ARG 101 H ARG 101 -22.219 9.315 6.155 853 HA ARG 101 HA ARG 101 -23.401 11.392 4.644 854 HB2 ARG 101 2HB ARG 101 -25.501 10.420 5.225 855 HB3 ARG 101 3HB ARG 101 -24.361 9.098 5.015 856 HG2 ARG 101 2HG ARG 101 -24.099 8.941 7.442 857 HG3 ARG 101 3HG ARG 101 -25.254 10.260 7.645 858 HD2 ARG 101 2HD ARG 101 -25.768 7.526 6.490 859 HD3 ARG 101 3HD ARG 101 -26.414 8.197 7.988 860 HE ARG 101 HE ARG 101 -27.444 8.577 5.356 861 HH11 ARG 101 1HH1 ARG 101 -27.083 10.091 8.471 862 HH12 ARG 101 2HH1 ARG 101 -28.467 11.115 8.279 863 HH21 ARG 101 1HH2 ARG 101 -29.269 9.921 5.092 864 HH22 ARG 101 2HH2 ARG 101 -29.710 11.017 6.357 865 H HIS 102 H HIS 102 -22.821 10.947 8.072 866 HA HIS 102 HA HIS 102 -24.490 13.046 8.988 867 HB2 HIS 102 2HB HIS 102 -22.288 11.409 10.148 868 HB3 HIS 102 3HB HIS 102 -22.713 12.908 10.969 869 HD1 HIS 102 HD1 HIS 102 -25.548 11.201 9.371 870 HD2 HIS 102 HD2 HIS 102 -23.667 11.191 13.076 871 HE1 HIS 102 HE1 HIS 102 -27.158 10.072 10.940 872 H MET 103 H MET 103 -21.034 12.884 8.204 873 HA MET 103 HA MET 103 -20.344 15.484 8.959 874 HB2 MET 103 2HB MET 103 -19.191 13.403 7.199 875 HB3 MET 103 3HB MET 103 -18.648 15.049 6.900 876 HG2 MET 103 2HG MET 103 -18.545 13.682 9.578 877 HG3 MET 103 3HG MET 103 -17.199 13.772 8.445 878 HE1 MET 103 3HE MET 103 -15.675 16.148 10.803 879 HE2 MET 103 1HE MET 103 -16.938 15.272 11.668 880 HE3 MET 103 2HE MET 103 -15.984 14.451 10.433 881 H ILE 104 H ILE 104 -21.718 14.236 5.966 882 HA ILE 104 HA ILE 104 -21.581 16.818 4.662 883 HB ILE 104 HB ILE 104 -22.739 15.717 2.794 884 HG12 ILE 104 2HG1 ILE 104 -22.700 13.274 4.581 885 HG13 ILE 104 3HG1 ILE 104 -24.135 14.179 4.114 886 HG21 ILE 104 1HG2 ILE 104 -20.818 14.833 2.043 887 HG22 ILE 104 2HG2 ILE 104 -20.165 15.369 3.590 888 HG23 ILE 104 3HG2 ILE 104 -20.697 13.700 3.388 889 HD11 ILE 104 3HD1 ILE 104 -23.360 13.627 1.696 890 HD12 ILE 104 1HD1 ILE 104 -22.437 12.351 2.489 891 HD13 ILE 104 2HD1 ILE 104 -24.192 12.407 2.660 892 H SER 105 H SER 105 -23.788 15.070 6.626 893 HA SER 105 HA SER 105 -26.230 16.152 5.743 894 HB2 SER 105 2HB SER 105 -26.743 14.483 7.187 895 HB3 SER 105 3HB SER 105 -25.262 14.704 8.118 896 HG SER 105 HG SER 105 -27.080 15.257 9.356 897 H GLN 106 H GLN 106 -23.744 17.382 7.877 898 HA GLN 106 HA GLN 106 -25.124 19.417 9.166 899 HB2 GLN 106 2HB GLN 106 -22.284 18.943 8.430 900 HB3 GLN 106 3HB GLN 106 -22.726 20.576 8.911 901 HG2 GLN 106 2HG GLN 106 -23.896 19.144 10.879 902 HG3 GLN 106 3HG GLN 106 -22.506 18.125 10.510 903 HE21 GLN 106 1HE2 GLN 106 -23.342 21.521 11.086 904 HE22 GLN 106 2HE2 GLN 106 -21.915 21.900 11.983 905 H GLU 107 H GLU 107 -23.730 19.326 5.936 906 HA GLU 107 HA GLU 107 -24.183 22.103 5.402 907 HB2 GLU 107 2HB GLU 107 -22.520 20.409 4.280 908 HB3 GLU 107 3HB GLU 107 -23.889 20.062 3.233 909 HG2 GLU 107 2HG GLU 107 -23.548 21.900 2.048 910 HG3 GLU 107 3HG GLU 107 -23.498 22.901 3.498 911 H GLY 108 H GLY 108 -26.098 19.253 5.292 912 HA2 GLY 108 2HA GLY 108 -28.394 20.804 4.438 913 HA3 GLY 108 3HA GLY 108 -27.920 19.523 3.331 914 H ILE 109 H ILE 109 -28.893 20.169 6.671 915 HA ILE 109 HA ILE 109 -29.335 17.427 7.320 916 HB ILE 109 HB ILE 109 -30.433 18.250 9.334 917 HG12 ILE 109 2HG1 ILE 109 -30.100 21.013 8.147 918 HG13 ILE 109 3HG1 ILE 109 -31.628 20.145 8.248 919 HG21 ILE 109 1HG2 ILE 109 -27.949 19.813 8.640 920 HG22 ILE 109 2HG2 ILE 109 -28.567 19.540 10.268 921 HG23 ILE 109 3HG2 ILE 109 -28.004 18.178 9.299 922 HD11 ILE 109 3HD1 ILE 109 -31.042 20.037 10.794 923 HD12 ILE 109 1HD1 ILE 109 -30.024 21.422 10.399 924 HD13 ILE 109 2HD1 ILE 109 -31.760 21.486 10.090 925 H LYS 110 H LYS 110 -31.196 19.879 5.754 926 HA LYS 110 HA LYS 110 -33.798 19.004 6.235 927 HB2 LYS 110 2HB LYS 110 -34.453 20.311 4.391 928 HB3 LYS 110 3HB LYS 110 -33.018 21.112 5.017 929 HG2 LYS 110 2HG LYS 110 -32.996 19.191 2.701 930 HG3 LYS 110 3HG LYS 110 -33.109 20.945 2.538 931 HD2 LYS 110 2HD LYS 110 -30.964 20.861 4.087 932 HD3 LYS 110 3HD LYS 110 -30.812 19.252 3.379 933 HE2 LYS 110 2HE LYS 110 -31.415 21.366 1.445 934 HE3 LYS 110 3HE LYS 110 -29.868 21.562 2.267 935 HZ1 LYS 110 3HZ LYS 110 -29.860 18.945 1.628 936 HZ2 LYS 110 1HZ LYS 110 -29.124 20.163 0.713 937 HZ3 LYS 110 2HZ LYS 110 -30.670 19.614 0.302 938 H GLU 111 H GLU 111 -31.292 17.613 4.316 939 HA GLU 111 HA GLU 111 -32.993 16.022 2.649 940 HB2 GLU 111 2HB GLU 111 -30.278 16.678 2.697 941 HB3 GLU 111 3HB GLU 111 -30.323 14.947 3.000 942 HG2 GLU 111 2HG GLU 111 -31.102 14.459 0.929 943 HG3 GLU 111 3HG GLU 111 -31.999 15.970 0.789 944 H THR 112 H THR 112 -31.611 15.702 5.808 945 HA THR 112 HA THR 112 -31.703 12.898 6.073 946 HB THR 112 HB THR 112 -32.004 14.992 8.236 947 HG1 THR 112 HG1 THR 112 -29.700 14.488 8.483 948 HG21 THR 112 3HG2 THR 112 -30.910 13.033 9.564 949 HG22 THR 112 1HG2 THR 112 -31.588 12.028 8.284 950 HG23 THR 112 2HG2 THR 112 -32.650 13.026 9.278 951 H GLN 113 H GLN 113 -34.054 15.411 6.979 952 HA GLN 113 HA GLN 113 -35.995 13.675 8.031 953 HB2 GLN 113 2HB GLN 113 -35.719 16.415 7.743 954 HB3 GLN 113 3HB GLN 113 -37.102 16.037 6.725 955 HG2 GLN 113 2HG GLN 113 -38.147 14.881 8.641 956 HG3 GLN 113 3HG GLN 113 -36.790 15.388 9.646 957 HE21 GLN 113 1HE2 GLN 113 -39.112 16.137 10.562 958 HE22 GLN 113 2HE2 GLN 113 -39.434 17.808 10.264 959 H ALA 114 H ALA 114 -35.093 14.398 4.791 960 HA ALA 114 HA ALA 114 -37.523 13.757 3.489 961 HB1 ALA 114 1HB ALA 114 -36.377 13.998 1.523 962 HB2 ALA 114 2HB ALA 114 -35.325 14.903 2.613 963 HB3 ALA 114 3HB ALA 114 -34.910 13.251 2.157 964 H LYS 115 H LYS 115 -35.006 11.835 4.881 965 HA LYS 115 HA LYS 115 -34.755 9.592 5.162 966 HB2 LYS 115 2HB LYS 115 -37.595 10.024 4.936 967 HB3 LYS 115 3HB LYS 115 -37.165 8.478 4.214 968 HG2 LYS 115 2HG LYS 115 -36.617 7.551 6.194 969 HG3 LYS 115 3HG LYS 115 -35.959 9.056 6.841 970 HD2 LYS 115 2HD LYS 115 -38.800 9.286 6.425 971 HD3 LYS 115 3HD LYS 115 -38.432 7.885 7.434 972 HE2 LYS 115 2HE LYS 115 -37.092 9.319 8.909 973 HE3 LYS 115 3HE LYS 115 -37.491 10.713 7.907 974 HZ1 LYS 115 3HZ LYS 115 -39.880 9.454 8.609 975 HZ2 LYS 115 1HZ LYS 115 -39.324 10.977 9.092 976 HZ3 LYS 115 2HZ LYS 115 -38.965 9.611 10.023 977 H ARG 116 H ARG 116 -34.955 7.416 3.924 978 HA ARG 116 HA ARG 116 -33.534 7.583 1.564 979 HB2 ARG 116 2HB ARG 116 -35.096 5.461 2.922 980 HB3 ARG 116 3HB ARG 116 -34.732 5.197 1.222 981 HG2 ARG 116 2HG ARG 116 -32.955 4.181 2.281 982 HG3 ARG 116 3HG ARG 116 -32.305 5.776 1.899 983 HD2 ARG 116 2HD ARG 116 -33.523 6.083 4.381 984 HD3 ARG 116 3HD ARG 116 -32.723 4.514 4.468 985 HE ARG 116 HE ARG 116 -31.023 6.539 3.389 986 HH11 ARG 116 1HH1 ARG 116 -32.293 5.214 6.348 987 HH12 ARG 116 2HH1 ARG 116 -30.958 5.750 7.314 988 HH21 ARG 116 1HH2 ARG 116 -29.260 7.249 4.650 989 HH22 ARG 116 2HH2 ARG 116 -29.233 6.908 6.347 Start of MODEL 2 1 H1 GLN 1 H GLN 1 3.784 -0.166 -2.691 2 HA GLN 1 HA GLN 1 2.982 -0.228 -4.998 3 HB2 GLN 1 2HB GLN 1 2.104 -3.001 -4.175 4 HB3 GLN 1 3HB GLN 1 1.697 -2.230 -5.702 5 HG2 GLN 1 2HG GLN 1 4.047 -2.149 -6.310 6 HG3 GLN 1 3HG GLN 1 4.484 -2.872 -4.763 7 HE21 GLN 1 1HE2 GLN 1 2.040 -3.572 -7.242 8 HE22 GLN 1 2HE2 GLN 1 2.460 -5.237 -7.429 9 H SER 2 H SER 2 2.046 1.315 -3.214 10 HA SER 2 HA SER 2 -0.825 1.093 -3.423 11 HB2 SER 2 2HB SER 2 0.308 1.431 -0.650 12 HB3 SER 2 3HB SER 2 -1.356 1.083 -1.119 13 HG SER 2 HG SER 2 0.399 -0.660 -0.410 14 H LEU 3 H LEU 3 -0.790 2.991 -4.581 15 HA LEU 3 HA LEU 3 -0.567 5.408 -3.014 16 HB2 LEU 3 2HB LEU 3 0.941 6.514 -4.631 17 HB3 LEU 3 3HB LEU 3 1.710 5.215 -3.721 18 HG LEU 3 HG LEU 3 0.613 4.571 -6.409 19 HD11 LEU 3 1HD1 LEU 3 3.086 5.260 -7.124 20 HD12 LEU 3 2HD1 LEU 3 2.809 6.482 -5.883 21 HD13 LEU 3 3HD1 LEU 3 1.713 6.359 -7.259 22 HD21 LEU 3 3HD2 LEU 3 2.168 3.292 -4.469 23 HD22 LEU 3 1HD2 LEU 3 3.274 3.670 -5.790 24 HD23 LEU 3 2HD2 LEU 3 1.816 2.729 -6.104 25 H ASN 4 H ASN 4 -1.410 7.294 -4.149 26 HA ASN 4 HA ASN 4 -3.773 6.735 -5.552 27 HB2 ASN 4 2HB ASN 4 -2.234 9.203 -4.897 28 HB3 ASN 4 3HB ASN 4 -3.483 9.317 -6.133 29 HD21 ASN 4 1HD2 ASN 4 -2.857 9.559 -2.902 30 HD22 ASN 4 2HD2 ASN 4 -4.465 9.395 -2.291 31 HA PRO 5 HA PRO 5 -2.638 6.445 -9.780 32 HB2 PRO 5 2HB PRO 5 -4.661 7.773 -11.011 33 HB3 PRO 5 3HB PRO 5 -4.871 6.187 -10.259 34 HG2 PRO 5 2HG PRO 5 -5.549 8.898 -9.184 35 HG3 PRO 5 3HG PRO 5 -6.491 7.397 -9.111 36 HD2 PRO 5 2HD PRO 5 -5.030 8.303 -7.019 37 HD3 PRO 5 3HD PRO 5 -5.278 6.573 -7.333 38 H ALA 6 H ALA 6 -3.322 9.655 -8.527 39 HA ALA 6 HA ALA 6 -2.560 11.732 -9.081 40 HB1 ALA 6 1HB ALA 6 -0.470 10.812 -8.320 41 HB2 ALA 6 2HB ALA 6 -0.168 10.091 -9.902 42 HB3 ALA 6 3HB ALA 6 -0.170 11.845 -9.718 43 H LEU 7 H LEU 7 -4.078 10.253 -11.121 44 HA LEU 7 HA LEU 7 -2.940 11.378 -13.585 45 HB2 LEU 7 2HB LEU 7 -3.993 8.887 -13.071 46 HB3 LEU 7 3HB LEU 7 -5.324 9.724 -13.865 47 HG LEU 7 HG LEU 7 -2.972 10.202 -15.381 48 HD11 LEU 7 1HD1 LEU 7 -2.783 7.645 -16.008 49 HD12 LEU 7 2HD1 LEU 7 -3.228 7.441 -14.314 50 HD13 LEU 7 3HD1 LEU 7 -1.787 8.362 -14.741 51 HD21 LEU 7 3HD2 LEU 7 -4.252 9.286 -17.146 52 HD22 LEU 7 1HD2 LEU 7 -5.398 10.093 -16.076 53 HD23 LEU 7 2HD2 LEU 7 -5.241 8.337 -16.036 54 H GLN 8 H GLN 8 -5.958 11.157 -11.733 55 HA GLN 8 HA GLN 8 -6.811 13.672 -12.994 56 HB2 GLN 8 2HB GLN 8 -8.533 11.249 -12.449 57 HB3 GLN 8 3HB GLN 8 -9.157 12.824 -12.923 58 HG2 GLN 8 2HG GLN 8 -7.394 12.431 -14.901 59 HG3 GLN 8 3HG GLN 8 -7.799 10.757 -14.526 60 HE21 GLN 8 1HE2 GLN 8 -8.897 13.739 -15.849 61 HE22 GLN 8 2HE2 GLN 8 -10.417 13.169 -16.438 62 H GLU 9 H GLU 9 -5.466 13.359 -10.515 63 HA GLU 9 HA GLU 9 -7.553 13.742 -8.499 64 HB2 GLU 9 2HB GLU 9 -5.807 13.527 -6.853 65 HB3 GLU 9 3HB GLU 9 -5.654 12.213 -8.010 66 HG2 GLU 9 2HG GLU 9 -3.812 13.293 -9.090 67 HG3 GLU 9 3HG GLU 9 -4.029 14.741 -8.109 68 H LYS 10 H LYS 10 -7.069 15.725 -10.570 69 HA LYS 10 HA LYS 10 -5.530 17.889 -9.803 70 HB2 LYS 10 2HB LYS 10 -7.856 17.458 -11.540 71 HB3 LYS 10 3HB LYS 10 -7.738 19.093 -10.905 72 HG2 LYS 10 2HG LYS 10 -6.188 19.588 -12.400 73 HG3 LYS 10 3HG LYS 10 -5.162 18.280 -11.807 74 HD2 LYS 10 2HD LYS 10 -6.995 16.895 -13.254 75 HD3 LYS 10 3HD LYS 10 -6.903 18.399 -14.174 76 HE2 LYS 10 2HE LYS 10 -4.393 18.125 -14.127 77 HE3 LYS 10 3HE LYS 10 -4.666 16.504 -13.490 78 HZ1 LYS 10 3HZ LYS 10 -6.288 16.822 -15.737 79 HZ2 LYS 10 1HZ LYS 10 -4.954 15.798 -15.552 80 HZ3 LYS 10 2HZ LYS 10 -4.741 17.362 -16.159 81 H ILE 11 H ILE 11 -6.395 20.045 -9.035 82 HA ILE 11 HA ILE 11 -8.591 19.919 -7.151 83 HB ILE 11 HB ILE 11 -6.749 19.070 -5.791 84 HG12 ILE 11 2HG1 ILE 11 -8.511 20.955 -5.062 85 HG13 ILE 11 3HG1 ILE 11 -7.316 20.295 -3.951 86 HG21 ILE 11 1HG2 ILE 11 -5.375 21.618 -6.614 87 HG22 ILE 11 2HG2 ILE 11 -4.846 20.618 -5.262 88 HG23 ILE 11 3HG2 ILE 11 -4.842 19.962 -6.899 89 HD11 ILE 11 3HD1 ILE 11 -7.630 22.842 -4.086 90 HD12 ILE 11 1HD1 ILE 11 -5.993 22.189 -4.055 91 HD13 ILE 11 2HD1 ILE 11 -6.701 22.722 -5.580 92 H SER 12 H SER 12 -9.489 21.894 -6.743 93 HA SER 12 HA SER 12 -9.959 24.107 -6.989 94 HB2 SER 12 2HB SER 12 -7.785 24.383 -5.793 95 HB3 SER 12 3HB SER 12 -6.974 24.457 -7.358 96 HG SER 12 HG SER 12 -7.519 26.472 -7.465 97 H THR 13 H THR 13 -11.054 24.580 -8.769 98 HA THR 13 HA THR 13 -9.775 24.301 -11.384 99 HB THR 13 HB THR 13 -11.969 23.254 -11.129 100 HG1 THR 13 HG1 THR 13 -12.433 23.834 -13.116 101 HG21 THR 13 3HG2 THR 13 -13.027 26.045 -10.672 102 HG22 THR 13 1HG2 THR 13 -12.855 24.815 -9.421 103 HG23 THR 13 2HG2 THR 13 -13.975 24.560 -10.760 104 H GLU 14 H GLU 14 -11.298 26.711 -9.314 105 HA GLU 14 HA GLU 14 -10.142 28.804 -11.017 106 HB2 GLU 14 2HB GLU 14 -12.961 28.773 -9.928 107 HB3 GLU 14 3HB GLU 14 -12.192 30.182 -10.646 108 HG2 GLU 14 2HG GLU 14 -11.895 28.858 -12.739 109 HG3 GLU 14 3HG GLU 14 -12.863 27.583 -12.001 110 H LEU 15 H LEU 15 -10.002 27.414 -8.155 111 HA LEU 15 HA LEU 15 -8.987 28.077 -6.211 112 HB2 LEU 15 2HB LEU 15 -8.273 30.076 -7.888 113 HB3 LEU 15 3HB LEU 15 -9.225 30.970 -6.705 114 HG LEU 15 HG LEU 15 -7.597 29.537 -5.076 115 HD11 LEU 15 1HD1 LEU 15 -5.294 29.956 -6.135 116 HD12 LEU 15 2HD1 LEU 15 -6.162 29.970 -7.670 117 HD13 LEU 15 3HD1 LEU 15 -6.204 28.534 -6.646 118 HD21 LEU 15 3HD2 LEU 15 -6.124 31.779 -5.433 119 HD22 LEU 15 1HD2 LEU 15 -7.615 31.710 -4.494 120 HD23 LEU 15 2HD2 LEU 15 -7.652 32.267 -6.167 121 H ASN 16 H ASN 16 -11.982 29.071 -7.350 122 HA ASN 16 HA ASN 16 -12.838 30.163 -4.774 123 HB2 ASN 16 2HB ASN 16 -13.492 31.362 -6.839 124 HB3 ASN 16 3HB ASN 16 -14.370 29.932 -7.374 125 HD21 ASN 16 1HD2 ASN 16 -14.179 32.312 -4.779 126 HD22 ASN 16 2HD2 ASN 16 -15.858 32.272 -4.377 127 H ASN 17 H ASN 17 -13.659 27.568 -7.054 128 HA ASN 17 HA ASN 17 -15.589 26.393 -5.283 129 HB2 ASN 17 2HB ASN 17 -14.332 24.945 -7.596 130 HB3 ASN 17 3HB ASN 17 -15.973 24.817 -6.972 131 HD21 ASN 17 1HD2 ASN 17 -17.462 26.482 -7.436 132 HD22 ASN 17 2HD2 ASN 17 -17.235 27.524 -8.795 133 H LYS 18 H LYS 18 -12.194 26.216 -5.665 134 HA LYS 18 HA LYS 18 -11.560 23.646 -4.882 135 HB2 LYS 18 2HB LYS 18 -9.427 24.465 -4.269 136 HB3 LYS 18 3HB LYS 18 -9.980 25.512 -5.569 137 HG2 LYS 18 2HG LYS 18 -9.247 27.110 -4.153 138 HG3 LYS 18 3HG LYS 18 -10.877 26.930 -3.499 139 HD2 LYS 18 2HD LYS 18 -9.652 25.039 -2.072 140 HD3 LYS 18 3HD LYS 18 -8.265 26.089 -2.371 141 HE2 LYS 18 2HE LYS 18 -10.706 27.489 -1.541 142 HE3 LYS 18 3HE LYS 18 -10.044 26.392 -0.331 143 HZ1 LYS 18 3HZ LYS 18 -8.136 28.137 -1.660 144 HZ2 LYS 18 1HZ LYS 18 -8.227 27.667 -0.037 145 HZ3 LYS 18 2HZ LYS 18 -9.232 28.897 -0.619 146 H GLN 19 H GLN 19 -12.726 26.320 -2.953 147 HA GLN 19 HA GLN 19 -12.127 25.200 -0.414 148 HB2 GLN 19 2HB GLN 19 -12.957 27.641 -1.251 149 HB3 GLN 19 3HB GLN 19 -14.464 26.994 -0.618 150 HG2 GLN 19 2HG GLN 19 -13.747 27.035 1.524 151 HG3 GLN 19 3HG GLN 19 -12.075 26.688 1.088 152 HE21 GLN 19 1HE2 GLN 19 -11.451 28.335 2.561 153 HE22 GLN 19 2HE2 GLN 19 -11.545 30.001 2.111 154 H TYR 20 H TYR 20 -15.051 25.226 -2.423 155 HA TYR 20 HA TYR 20 -16.636 23.757 -0.576 156 HB2 TYR 20 2HB TYR 20 -16.932 24.826 -3.287 157 HB3 TYR 20 3HB TYR 20 -17.790 23.309 -3.038 158 HD1 TYR 20 HD2 TYR 20 -19.279 23.191 -0.892 159 HD2 TYR 20 HD1 TYR 20 -17.946 26.818 -2.672 160 HE1 TYR 20 HE2 TYR 20 -21.106 24.403 0.223 161 HE2 TYR 20 HE1 TYR 20 -19.769 28.041 -1.561 162 HH TYR 20 HH TYR 20 -21.391 27.919 -0.012 163 H GLU 21 H GLU 21 -14.852 22.854 -3.510 164 HA GLU 21 HA GLU 21 -15.567 20.139 -3.528 165 HB2 GLU 21 2HB GLU 21 -13.329 21.729 -4.713 166 HB3 GLU 21 3HB GLU 21 -13.246 19.973 -4.762 167 HG2 GLU 21 2HG GLU 21 -14.292 20.293 -6.729 168 HG3 GLU 21 3HG GLU 21 -15.720 20.289 -5.695 169 H LEU 22 H LEU 22 -12.758 21.790 -2.117 170 HA LEU 22 HA LEU 22 -11.556 19.436 -1.089 171 HB2 LEU 22 2HB LEU 22 -10.364 21.568 -1.501 172 HB3 LEU 22 3HB LEU 22 -11.232 22.280 -0.142 173 HG LEU 22 HG LEU 22 -9.666 19.827 0.412 174 HD11 LEU 22 1HD1 LEU 22 -8.021 20.837 -0.912 175 HD12 LEU 22 2HD1 LEU 22 -7.632 21.333 0.734 176 HD13 LEU 22 3HD1 LEU 22 -8.441 22.457 -0.357 177 HD21 LEU 22 3HD2 LEU 22 -10.851 22.023 1.827 178 HD22 LEU 22 1HD2 LEU 22 -9.131 21.920 2.203 179 HD23 LEU 22 2HD2 LEU 22 -10.174 20.521 2.458 180 H PHE 23 H PHE 23 -13.932 21.687 0.149 181 HA PHE 23 HA PHE 23 -13.856 21.033 2.859 182 HB2 PHE 23 2HB PHE 23 -15.703 22.373 1.046 183 HB3 PHE 23 3HB PHE 23 -16.539 21.505 2.329 184 HD1 PHE 23 HD1 PHE 23 -13.267 23.263 2.414 185 HD2 PHE 23 HD2 PHE 23 -17.301 23.154 3.767 186 HE1 PHE 23 HE1 PHE 23 -12.792 25.111 3.967 187 HE2 PHE 23 HE2 PHE 23 -16.833 25.002 5.322 188 HZ PHE 23 HZ PHE 23 -14.576 25.984 5.423 189 H MET 24 H MET 24 -15.867 19.638 0.274 190 HA MET 24 HA MET 24 -16.988 17.640 1.987 191 HB2 MET 24 2HB MET 24 -17.513 18.647 -0.589 192 HB3 MET 24 3HB MET 24 -17.143 16.942 -0.805 193 HG2 MET 24 2HG MET 24 -19.041 17.725 1.343 194 HG3 MET 24 3HG MET 24 -19.587 17.770 -0.331 195 HE1 MET 24 3HE MET 24 -21.256 15.924 -0.662 196 HE2 MET 24 1HE MET 24 -21.269 14.449 0.304 197 HE3 MET 24 2HE MET 24 -21.383 16.021 1.095 198 H LYS 25 H LYS 25 -14.322 17.776 -0.300 199 HA LYS 25 HA LYS 25 -13.788 15.030 -0.494 200 HB2 LYS 25 2HB LYS 25 -12.798 16.721 -1.985 201 HB3 LYS 25 3HB LYS 25 -11.845 17.343 -0.644 202 HG2 LYS 25 2HG LYS 25 -10.607 15.289 -0.502 203 HG3 LYS 25 3HG LYS 25 -11.641 14.538 -1.719 204 HD2 LYS 25 2HD LYS 25 -9.676 15.174 -2.859 205 HD3 LYS 25 3HD LYS 25 -10.886 16.385 -3.289 206 HE2 LYS 25 2HE LYS 25 -9.699 17.387 -0.991 207 HE3 LYS 25 3HE LYS 25 -8.358 16.693 -1.901 208 HZ1 LYS 25 3HZ LYS 25 -9.079 19.122 -2.338 209 HZ2 LYS 25 1HZ LYS 25 -10.307 18.423 -3.268 210 HZ3 LYS 25 2HZ LYS 25 -8.685 18.128 -3.649 211 H SER 26 H SER 26 -12.431 17.484 1.696 212 HA SER 26 HA SER 26 -10.733 15.742 3.107 213 HB2 SER 26 2HB SER 26 -10.221 17.980 3.456 214 HB3 SER 26 3HB SER 26 -11.910 18.441 3.665 215 HG SER 26 HG SER 26 -10.288 17.003 5.497 216 H LEU 27 H LEU 27 -14.118 16.578 3.512 217 HA LEU 27 HA LEU 27 -14.430 15.336 6.057 218 HB2 LEU 27 2HB LEU 27 -16.171 16.565 4.027 219 HB3 LEU 27 3HB LEU 27 -16.932 15.325 5.022 220 HG LEU 27 HG LEU 27 -17.360 17.512 5.952 221 HD11 LEU 27 1HD1 LEU 27 -16.764 15.448 7.395 222 HD12 LEU 27 2HD1 LEU 27 -16.858 17.035 8.159 223 HD13 LEU 27 3HD1 LEU 27 -15.287 16.340 7.761 224 HD21 LEU 27 3HD2 LEU 27 -15.747 18.997 5.347 225 HD22 LEU 27 1HD2 LEU 27 -14.438 17.834 5.560 226 HD23 LEU 27 2HD2 LEU 27 -15.165 18.610 6.967 227 H ILE 28 H ILE 28 -15.228 14.337 2.739 228 HA ILE 28 HA ILE 28 -16.286 11.818 3.403 229 HB ILE 28 HB ILE 28 -14.974 12.768 0.857 230 HG12 ILE 28 2HG1 ILE 28 -17.098 13.888 1.606 231 HG13 ILE 28 3HG1 ILE 28 -17.208 13.087 0.043 232 HG21 ILE 28 1HG2 ILE 28 -16.188 10.149 1.592 233 HG22 ILE 28 2HG2 ILE 28 -16.411 10.766 -0.044 234 HG23 ILE 28 3HG2 ILE 28 -14.785 10.498 0.583 235 HD11 ILE 28 3HD1 ILE 28 -17.956 11.289 2.156 236 HD12 ILE 28 1HD1 ILE 28 -18.900 12.777 2.229 237 HD13 ILE 28 2HD1 ILE 28 -18.876 11.819 0.748 238 H GLU 29 H GLU 29 -13.014 12.763 2.372 239 HA GLU 29 HA GLU 29 -11.909 10.171 2.475 240 HB2 GLU 29 2HB GLU 29 -9.757 11.252 2.348 241 HB3 GLU 29 3HB GLU 29 -10.880 12.097 1.292 242 HG2 GLU 29 2HG GLU 29 -9.796 13.839 2.314 243 HG3 GLU 29 3HG GLU 29 -11.222 13.660 3.335 244 H ASN 30 H ASN 30 -12.355 12.662 4.899 245 HA ASN 30 HA ASN 30 -10.664 11.567 6.880 246 HB2 ASN 30 2HB ASN 30 -11.357 13.850 7.096 247 HB3 ASN 30 3HB ASN 30 -13.059 13.399 7.063 248 HD21 ASN 30 1HD2 ASN 30 -14.006 13.461 8.954 249 HD22 ASN 30 2HD2 ASN 30 -13.258 13.172 10.485 250 H CYS 31 H CYS 31 -14.207 11.399 6.506 251 HA CYS 31 HA CYS 31 -14.575 9.553 8.623 252 HB2 CYS 31 2HB CYS 31 -16.278 10.539 6.362 253 HB3 CYS 31 3HB CYS 31 -16.819 9.169 7.324 254 HG CYS 31 HG CYS 31 -16.112 11.084 9.654 255 H LYS 32 H LYS 32 -14.355 9.169 5.105 256 HA LYS 32 HA LYS 32 -14.827 6.398 5.032 257 HB2 LYS 32 2HB LYS 32 -14.988 7.662 3.006 258 HB3 LYS 32 3HB LYS 32 -13.331 8.232 3.158 259 HG2 LYS 32 2HG LYS 32 -12.474 6.376 2.239 260 HG3 LYS 32 3HG LYS 32 -13.621 5.315 3.059 261 HD2 LYS 32 2HD LYS 32 -14.488 5.054 0.997 262 HD3 LYS 32 3HD LYS 32 -15.260 6.607 1.326 263 HE2 LYS 32 2HE LYS 32 -13.015 7.568 0.372 264 HE3 LYS 32 3HE LYS 32 -12.895 5.979 -0.381 265 HZ1 LYS 32 3HZ LYS 32 -15.206 6.406 -1.245 266 HZ2 LYS 32 1HZ LYS 32 -13.981 7.357 -1.922 267 HZ3 LYS 32 2HZ LYS 32 -15.014 8.014 -0.755 268 H LYS 33 H LYS 33 -11.974 8.269 5.736 269 HA LYS 33 HA LYS 33 -10.000 6.332 5.330 270 HB2 LYS 33 2HB LYS 33 -10.235 8.875 6.767 271 HB3 LYS 33 3HB LYS 33 -9.083 7.763 7.496 272 HG2 LYS 33 2HG LYS 33 -8.741 7.855 4.639 273 HG3 LYS 33 3HG LYS 33 -8.653 9.473 5.341 274 HD2 LYS 33 2HD LYS 33 -7.200 7.467 6.883 275 HD3 LYS 33 3HD LYS 33 -6.597 7.648 5.234 276 HE2 LYS 33 2HE LYS 33 -5.367 9.213 6.442 277 HE3 LYS 33 3HE LYS 33 -6.654 10.173 5.714 278 HZ1 LYS 33 3HZ LYS 33 -6.596 10.870 7.913 279 HZ2 LYS 33 1HZ LYS 33 -6.368 9.308 8.522 280 HZ3 LYS 33 2HZ LYS 33 -7.874 9.762 7.901 281 H ARG 34 H ARG 34 -12.461 6.529 7.697 282 HA ARG 34 HA ARG 34 -11.133 4.946 9.695 283 HB2 ARG 34 2HB ARG 34 -13.403 6.563 9.623 284 HB3 ARG 34 3HB ARG 34 -14.032 4.938 9.857 285 HG2 ARG 34 2HG ARG 34 -13.252 4.799 11.954 286 HG3 ARG 34 3HG ARG 34 -11.742 5.621 11.555 287 HD2 ARG 34 2HD ARG 34 -12.744 7.754 11.740 288 HD3 ARG 34 3HD ARG 34 -14.369 7.070 11.754 289 HE ARG 34 HE ARG 34 -14.168 6.795 14.006 290 HH11 ARG 34 1HH1 ARG 34 -10.980 7.066 12.634 291 HH12 ARG 34 2HH1 ARG 34 -10.177 7.062 14.169 292 HH21 ARG 34 1HH2 ARG 34 -13.122 6.790 16.034 293 HH22 ARG 34 2HH2 ARG 34 -11.396 6.905 16.102 294 H ASN 35 H ASN 35 -12.314 4.207 6.714 295 HA ASN 35 HA ASN 35 -12.696 1.397 7.471 296 HB2 ASN 35 2HB ASN 35 -14.403 2.864 5.448 297 HB3 ASN 35 3HB ASN 35 -14.540 1.165 5.892 298 HD21 ASN 35 1HD2 ASN 35 -14.804 4.447 7.136 299 HD22 ASN 35 2HD2 ASN 35 -15.959 4.081 8.368 300 H MET 36 H MET 36 -12.601 3.414 4.526 301 HA MET 36 HA MET 36 -10.534 1.594 3.476 302 HB2 MET 36 2HB MET 36 -12.643 1.344 2.260 303 HB3 MET 36 3HB MET 36 -12.679 3.073 1.941 304 HG2 MET 36 2HG MET 36 -11.084 2.954 0.326 305 HG3 MET 36 3HG MET 36 -10.293 1.558 1.054 306 HE1 MET 36 3HE MET 36 -9.851 0.732 -1.130 307 HE2 MET 36 1HE MET 36 -10.468 -0.814 -0.546 308 HE3 MET 36 2HE MET 36 -10.963 -0.208 -2.127 309 HA PRO 37 HA PRO 37 -8.734 5.855 3.809 310 HB2 PRO 37 2HB PRO 37 -6.351 5.019 4.804 311 HB3 PRO 37 3HB PRO 37 -7.754 5.352 5.825 312 HG2 PRO 37 2HG PRO 37 -6.725 2.727 4.820 313 HG3 PRO 37 3HG PRO 37 -7.325 3.150 6.434 314 HD2 PRO 37 2HD PRO 37 -8.841 1.838 4.613 315 HD3 PRO 37 3HD PRO 37 -9.533 2.963 5.800 316 H LEU 38 H LEU 38 -7.147 6.791 2.500 317 HA LEU 38 HA LEU 38 -6.202 5.065 0.323 318 HB2 LEU 38 2HB LEU 38 -7.321 7.694 0.443 319 HB3 LEU 38 3HB LEU 38 -5.709 7.781 -0.263 320 HG LEU 38 HG LEU 38 -7.351 7.595 -2.014 321 HD11 LEU 38 1HD1 LEU 38 -5.873 4.994 -1.644 322 HD12 LEU 38 2HD1 LEU 38 -5.214 6.467 -2.353 323 HD13 LEU 38 3HD1 LEU 38 -6.526 5.610 -3.162 324 HD21 LEU 38 3HD2 LEU 38 -8.322 5.272 -0.393 325 HD22 LEU 38 1HD2 LEU 38 -8.621 5.349 -2.130 326 HD23 LEU 38 2HD2 LEU 38 -9.236 6.620 -1.073 327 H GLN 39 H GLN 39 -4.156 6.492 -0.718 328 HA GLN 39 HA GLN 39 -2.022 5.886 1.080 329 HB2 GLN 39 2HB GLN 39 -1.652 5.508 -1.250 330 HB3 GLN 39 3HB GLN 39 -2.096 7.161 -1.653 331 HG2 GLN 39 2HG GLN 39 0.372 6.573 -1.688 332 HG3 GLN 39 3HG GLN 39 -0.100 8.029 -0.813 333 HE21 GLN 39 1HE2 GLN 39 1.485 8.143 0.666 334 HE22 GLN 39 2HE2 GLN 39 1.810 6.930 1.852 335 H SER 40 H SER 40 -3.478 8.863 -0.146 336 HA SER 40 HA SER 40 -2.574 10.324 2.154 337 HB2 SER 40 2HB SER 40 -1.397 10.922 -0.565 338 HB3 SER 40 3HB SER 40 -1.374 12.071 0.773 339 HG SER 40 HG SER 40 -0.343 10.248 1.968 340 H ILE 41 H ILE 41 -3.269 11.395 -1.162 341 HA ILE 41 HA ILE 41 -5.669 12.750 -0.119 342 HB ILE 41 HB ILE 41 -3.985 13.501 -2.511 343 HG12 ILE 41 2HG1 ILE 41 -4.058 15.598 -0.659 344 HG13 ILE 41 3HG1 ILE 41 -3.805 14.150 0.309 345 HG21 ILE 41 1HG2 ILE 41 -5.415 15.603 -2.380 346 HG22 ILE 41 2HG2 ILE 41 -6.185 14.149 -3.013 347 HG23 ILE 41 3HG2 ILE 41 -6.501 14.663 -1.356 348 HD11 ILE 41 3HD1 ILE 41 -1.651 14.459 -0.153 349 HD12 ILE 41 1HD1 ILE 41 -2.039 13.784 -1.735 350 HD13 ILE 41 2HD1 ILE 41 -1.998 15.533 -1.508 351 HA PRO 42 HA PRO 42 -7.518 9.607 -2.828 352 HB2 PRO 42 2HB PRO 42 -9.956 9.726 -1.641 353 HB3 PRO 42 3HB PRO 42 -8.615 8.776 -0.989 354 HG2 PRO 42 2HG PRO 42 -9.585 11.490 -0.178 355 HG3 PRO 42 3HG PRO 42 -9.081 10.131 0.843 356 HD2 PRO 42 2HD PRO 42 -7.461 12.236 0.316 357 HD3 PRO 42 3HD PRO 42 -6.840 10.592 0.569 358 H GLU 43 H GLU 43 -7.864 10.449 -4.802 359 HA GLU 43 HA GLU 43 -10.211 12.100 -5.209 360 HB2 GLU 43 2HB GLU 43 -7.898 13.457 -4.884 361 HB3 GLU 43 3HB GLU 43 -7.822 13.141 -6.612 362 HG2 GLU 43 2HG GLU 43 -10.089 14.504 -5.175 363 HG3 GLU 43 3HG GLU 43 -8.836 15.304 -6.123 364 H ILE 44 H ILE 44 -11.109 11.863 -7.225 365 HA ILE 44 HA ILE 44 -9.621 10.448 -9.293 366 HB ILE 44 HB ILE 44 -12.215 9.394 -8.159 367 HG12 ILE 44 2HG1 ILE 44 -10.148 8.827 -6.886 368 HG13 ILE 44 3HG1 ILE 44 -10.943 7.419 -7.580 369 HG21 ILE 44 1HG2 ILE 44 -11.166 7.592 -10.023 370 HG22 ILE 44 2HG2 ILE 44 -12.622 8.572 -10.181 371 HG23 ILE 44 3HG2 ILE 44 -11.082 9.176 -10.791 372 HD11 ILE 44 3HD1 ILE 44 -9.314 7.266 -9.310 373 HD12 ILE 44 1HD1 ILE 44 -8.596 8.808 -8.843 374 HD13 ILE 44 2HD1 ILE 44 -8.467 7.413 -7.770 375 H GLY 45 H GLY 45 -9.914 11.576 -11.092 376 HA2 GLY 45 2HA GLY 45 -11.260 12.338 -12.888 377 HA3 GLY 45 3HA GLY 45 -12.613 12.486 -11.777 378 H ASN 46 H ASN 46 -12.628 14.279 -10.286 379 HA ASN 46 HA ASN 46 -10.766 16.355 -10.263 380 HB2 ASN 46 2HB ASN 46 -12.002 16.323 -12.702 381 HB3 ASN 46 3HB ASN 46 -13.023 17.443 -11.806 382 HD21 ASN 46 1HD2 ASN 46 -12.308 19.454 -11.400 383 HD22 ASN 46 2HD2 ASN 46 -10.761 20.055 -11.878 384 H ARG 47 H ARG 47 -12.393 15.016 -8.418 385 HA ARG 47 HA ARG 47 -13.665 15.424 -6.577 386 HB2 ARG 47 2HB ARG 47 -13.471 18.340 -7.344 387 HB3 ARG 47 3HB ARG 47 -13.826 17.683 -5.752 388 HG2 ARG 47 2HG ARG 47 -11.665 17.865 -5.300 389 HG3 ARG 47 3HG ARG 47 -11.387 16.549 -6.444 390 HD2 ARG 47 2HD ARG 47 -9.987 18.513 -6.922 391 HD3 ARG 47 3HD ARG 47 -11.089 18.139 -8.246 392 HE ARG 47 HE ARG 47 -12.104 20.095 -6.395 393 HH11 ARG 47 1HH1 ARG 47 -10.198 19.567 -9.260 394 HH12 ARG 47 2HH1 ARG 47 -10.423 21.175 -9.864 395 HH21 ARG 47 1HH2 ARG 47 -12.408 22.215 -7.180 396 HH22 ARG 47 2HH2 ARG 47 -11.680 22.681 -8.680 397 H LYS 48 H LYS 48 -15.644 14.612 -6.875 398 HA LYS 48 HA LYS 48 -17.704 16.385 -7.954 399 HB2 LYS 48 2HB LYS 48 -17.209 13.555 -8.886 400 HB3 LYS 48 3HB LYS 48 -18.697 14.439 -9.202 401 HG2 LYS 48 2HG LYS 48 -17.734 15.785 -10.756 402 HG3 LYS 48 3HG LYS 48 -16.149 15.737 -9.979 403 HD2 LYS 48 2HD LYS 48 -15.755 13.510 -10.814 404 HD3 LYS 48 3HD LYS 48 -17.393 13.425 -11.466 405 HE2 LYS 48 2HE LYS 48 -16.454 15.696 -12.637 406 HE3 LYS 48 3HE LYS 48 -14.990 14.719 -12.545 407 HZ1 LYS 48 3HZ LYS 48 -15.756 13.276 -14.064 408 HZ2 LYS 48 1HZ LYS 48 -16.773 14.549 -14.521 409 HZ3 LYS 48 2HZ LYS 48 -17.349 13.332 -13.497 410 H ILE 49 H ILE 49 -16.720 14.909 -5.369 411 HA ILE 49 HA ILE 49 -19.102 13.429 -4.635 412 HB ILE 49 HB ILE 49 -16.851 14.192 -2.787 413 HG12 ILE 49 2HG1 ILE 49 -16.315 11.615 -3.543 414 HG13 ILE 49 3HG1 ILE 49 -16.863 12.323 -5.058 415 HG21 ILE 49 1HG2 ILE 49 -18.577 13.289 -1.526 416 HG22 ILE 49 2HG2 ILE 49 -19.028 12.140 -2.784 417 HG23 ILE 49 3HG2 ILE 49 -17.555 11.889 -1.848 418 HD11 ILE 49 3HD1 ILE 49 -15.042 14.115 -3.795 419 HD12 ILE 49 1HD1 ILE 49 -14.325 12.506 -3.871 420 HD13 ILE 49 2HD1 ILE 49 -14.898 13.286 -5.345 421 H ASN 50 H ASN 50 -18.308 16.633 -4.775 422 HA ASN 50 HA ASN 50 -19.443 17.550 -2.314 423 HB2 ASN 50 2HB ASN 50 -17.783 18.881 -3.552 424 HB3 ASN 50 3HB ASN 50 -18.918 19.054 -4.887 425 HD21 ASN 50 1HD2 ASN 50 -19.152 19.367 -1.359 426 HD22 ASN 50 2HD2 ASN 50 -19.860 20.943 -1.377 427 H LEU 51 H LEU 51 -21.414 18.720 -2.063 428 HA LEU 51 HA LEU 51 -23.617 17.513 -3.406 429 HB2 LEU 51 2HB LEU 51 -23.222 18.872 -1.022 430 HB3 LEU 51 3HB LEU 51 -24.260 19.945 -1.960 431 HG LEU 51 HG LEU 51 -25.579 18.515 -0.507 432 HD11 LEU 51 1HD1 LEU 51 -25.961 17.499 -3.304 433 HD12 LEU 51 2HD1 LEU 51 -26.319 19.167 -2.860 434 HD13 LEU 51 3HD1 LEU 51 -27.179 17.843 -2.075 435 HD21 LEU 51 3HD2 LEU 51 -23.701 16.541 -1.282 436 HD22 LEU 51 1HD2 LEU 51 -25.297 15.999 -1.800 437 HD23 LEU 51 2HD2 LEU 51 -25.012 16.409 -0.108 438 H PHE 52 H PHE 52 -21.717 20.314 -3.971 439 HA PHE 52 HA PHE 52 -23.743 21.512 -5.707 440 HB2 PHE 52 2HB PHE 52 -22.216 22.803 -4.027 441 HB3 PHE 52 3HB PHE 52 -20.999 22.651 -5.290 442 HD1 PHE 52 HD2 PHE 52 -21.590 23.530 -7.611 443 HD2 PHE 52 HD1 PHE 52 -23.801 24.499 -4.105 444 HE1 PHE 52 HE2 PHE 52 -22.526 25.499 -8.750 445 HE2 PHE 52 HE1 PHE 52 -24.741 26.470 -5.239 446 HZ PHE 52 HZ PHE 52 -24.103 26.973 -7.564 447 H TYR 53 H TYR 53 -20.606 19.946 -5.815 448 HA TYR 53 HA TYR 53 -20.125 20.454 -8.581 449 HB2 TYR 53 2HB TYR 53 -18.454 19.790 -6.686 450 HB3 TYR 53 3HB TYR 53 -18.909 18.142 -7.105 451 HD1 TYR 53 HD1 TYR 53 -18.802 17.616 -9.706 452 HD2 TYR 53 HD2 TYR 53 -16.642 20.727 -7.766 453 HE1 TYR 53 HE1 TYR 53 -17.179 17.634 -11.554 454 HE2 TYR 53 HE2 TYR 53 -15.015 20.755 -9.610 455 HH TYR 53 HH TYR 53 -15.537 19.436 -12.544 456 H LEU 54 H LEU 54 -21.294 17.633 -6.765 457 HA LEU 54 HA LEU 54 -21.623 15.935 -8.984 458 HB2 LEU 54 2HB LEU 54 -21.732 15.541 -6.364 459 HB3 LEU 54 3HB LEU 54 -23.461 15.706 -6.661 460 HG LEU 54 HG LEU 54 -21.852 13.769 -8.275 461 HD11 LEU 54 1HD1 LEU 54 -22.461 13.600 -5.397 462 HD12 LEU 54 2HD1 LEU 54 -21.206 12.802 -6.344 463 HD13 LEU 54 3HD1 LEU 54 -22.854 12.174 -6.358 464 HD21 LEU 54 3HD2 LEU 54 -24.710 14.185 -7.522 465 HD22 LEU 54 1HD2 LEU 54 -24.145 12.567 -7.938 466 HD23 LEU 54 2HD2 LEU 54 -23.995 13.880 -9.106 467 H TYR 55 H TYR 55 -23.619 18.453 -7.639 468 HA TYR 55 HA TYR 55 -25.998 17.705 -9.058 469 HB2 TYR 55 2HB TYR 55 -26.269 18.932 -7.017 470 HB3 TYR 55 3HB TYR 55 -25.205 20.216 -7.578 471 HD1 TYR 55 HD1 TYR 55 -28.464 18.574 -8.311 472 HD2 TYR 55 HD2 TYR 55 -26.092 22.090 -8.652 473 HE1 TYR 55 HE1 TYR 55 -30.412 19.795 -9.186 474 HE2 TYR 55 HE2 TYR 55 -28.033 23.321 -9.527 475 HH TYR 55 HH TYR 55 -30.141 23.168 -10.243 476 H MET 56 H MET 56 -23.592 20.305 -9.421 477 HA MET 56 HA MET 56 -24.668 21.462 -11.728 478 HB2 MET 56 2HB MET 56 -22.999 22.649 -10.496 479 HB3 MET 56 3HB MET 56 -21.836 21.345 -10.693 480 HG2 MET 56 2HG MET 56 -21.400 21.884 -12.893 481 HG3 MET 56 3HG MET 56 -22.926 22.742 -13.091 482 HE1 MET 56 3HE MET 56 -22.317 26.230 -11.782 483 HE2 MET 56 1HE MET 56 -23.244 25.182 -12.856 484 HE3 MET 56 2HE MET 56 -23.295 24.924 -11.112 485 H LEU 57 H LEU 57 -22.429 18.769 -11.321 486 HA LEU 57 HA LEU 57 -21.694 18.460 -14.014 487 HB2 LEU 57 2HB LEU 57 -20.418 17.350 -12.360 488 HB3 LEU 57 3HB LEU 57 -21.838 16.531 -11.713 489 HG LEU 57 HG LEU 57 -21.067 15.935 -14.519 490 HD11 LEU 57 1HD1 LEU 57 -19.309 14.495 -13.978 491 HD12 LEU 57 2HD1 LEU 57 -19.658 14.567 -12.251 492 HD13 LEU 57 3HD1 LEU 57 -18.960 15.966 -13.069 493 HD21 LEU 57 3HD2 LEU 57 -21.582 13.600 -13.211 494 HD22 LEU 57 1HD2 LEU 57 -22.783 14.567 -14.066 495 HD23 LEU 57 2HD2 LEU 57 -22.591 14.742 -12.321 496 H VAL 58 H VAL 58 -24.268 16.894 -12.124 497 HA VAL 58 HA VAL 58 -25.280 15.277 -14.176 498 HB VAL 58 HB VAL 58 -26.766 16.483 -11.838 499 HG11 VAL 58 1HG1 VAL 58 -27.917 14.051 -12.462 500 HG12 VAL 58 2HG1 VAL 58 -28.581 15.645 -12.827 501 HG13 VAL 58 3HG1 VAL 58 -27.622 14.790 -14.036 502 HG21 VAL 58 3HG2 VAL 58 -24.657 14.711 -11.796 503 HG22 VAL 58 1HG2 VAL 58 -25.850 14.932 -10.517 504 HG23 VAL 58 2HG2 VAL 58 -26.070 13.659 -11.717 505 H GLN 59 H GLN 59 -26.319 18.503 -13.088 506 HA GLN 59 HA GLN 59 -28.402 18.848 -14.916 507 HB2 GLN 59 2HB GLN 59 -27.838 20.279 -12.891 508 HB3 GLN 59 3HB GLN 59 -26.637 21.072 -13.901 509 HG2 GLN 59 2HG GLN 59 -28.787 21.288 -15.493 510 HG3 GLN 59 3HG GLN 59 -29.572 21.292 -13.915 511 HE21 GLN 59 1HE2 GLN 59 -28.897 23.346 -16.112 512 HE22 GLN 59 2HE2 GLN 59 -28.284 24.690 -15.215 513 H LYS 60 H LYS 60 -24.946 19.363 -15.237 514 HA LYS 60 HA LYS 60 -25.080 20.739 -17.730 515 HB2 LYS 60 2HB LYS 60 -23.147 20.757 -16.077 516 HB3 LYS 60 3HB LYS 60 -22.731 19.160 -16.685 517 HG2 LYS 60 2HG LYS 60 -23.035 21.459 -18.570 518 HG3 LYS 60 3HG LYS 60 -21.542 21.237 -17.654 519 HD2 LYS 60 2HD LYS 60 -22.000 18.721 -18.623 520 HD3 LYS 60 3HD LYS 60 -22.594 19.736 -19.939 521 HE2 LYS 60 2HE LYS 60 -20.508 20.785 -20.212 522 HE3 LYS 60 3HE LYS 60 -19.920 20.205 -18.654 523 HZ1 LYS 60 3HZ LYS 60 -19.468 19.044 -21.084 524 HZ2 LYS 60 1HZ LYS 60 -20.660 18.063 -20.392 525 HZ3 LYS 60 2HZ LYS 60 -19.204 18.329 -19.573 526 H PHE 61 H PHE 61 -24.810 17.371 -16.776 527 HA PHE 61 HA PHE 61 -24.263 16.409 -19.418 528 HB2 PHE 61 2HB PHE 61 -24.589 15.267 -16.744 529 HB3 PHE 61 3HB PHE 61 -25.264 14.253 -18.015 530 HD1 PHE 61 HD2 PHE 61 -22.178 16.195 -17.239 531 HD2 PHE 61 HD1 PHE 61 -23.882 12.753 -19.072 532 HE1 PHE 61 HE2 PHE 61 -19.923 15.363 -17.763 533 HE2 PHE 61 HE1 PHE 61 -21.630 11.914 -19.598 534 HZ PHE 61 HZ PHE 61 -19.647 13.220 -18.945 535 H GLY 62 H GLY 62 -27.013 17.616 -17.955 536 HA2 GLY 62 2HA GLY 62 -29.028 17.913 -19.198 537 HA3 GLY 62 3HA GLY 62 -28.687 16.413 -20.048 538 H GLY 63 H GLY 63 -28.240 16.429 -16.633 539 HA2 GLY 63 2HA GLY 63 -29.681 15.765 -14.905 540 HA3 GLY 63 3HA GLY 63 -30.932 15.452 -16.099 541 H ALA 64 H ALA 64 -30.214 13.735 -13.937 542 HA ALA 64 HA ALA 64 -28.493 11.660 -14.510 543 HB1 ALA 64 1HB ALA 64 -30.859 12.014 -12.818 544 HB2 ALA 64 2HB ALA 64 -30.533 10.343 -13.281 545 HB3 ALA 64 3HB ALA 64 -29.295 11.286 -12.450 546 H ASP 65 H ASP 65 -31.679 12.295 -15.811 547 HA ASP 65 HA ASP 65 -32.186 9.769 -16.941 548 HB2 ASP 65 2HB ASP 65 -33.162 12.547 -17.540 549 HB3 ASP 65 3HB ASP 65 -33.627 11.194 -18.567 550 H GLN 66 H GLN 66 -30.406 12.568 -18.115 551 HA GLN 66 HA GLN 66 -30.059 11.635 -20.771 552 HB2 GLN 66 2HB GLN 66 -29.743 14.018 -19.808 553 HB3 GLN 66 3HB GLN 66 -28.127 13.470 -19.384 554 HG2 GLN 66 2HG GLN 66 -27.401 13.724 -21.461 555 HG3 GLN 66 3HG GLN 66 -28.768 12.829 -22.123 556 HE21 GLN 66 1HE2 GLN 66 -27.252 15.543 -22.565 557 HE22 GLN 66 2HE2 GLN 66 -28.550 16.631 -22.903 558 H VAL 67 H VAL 67 -28.207 11.268 -17.801 559 HA VAL 67 HA VAL 67 -25.903 10.114 -18.972 560 HB VAL 67 HB VAL 67 -26.916 9.642 -16.169 561 HG11 VAL 67 1HG1 VAL 67 -24.115 9.625 -17.287 562 HG12 VAL 67 2HG1 VAL 67 -24.587 9.272 -15.624 563 HG13 VAL 67 3HG1 VAL 67 -25.074 8.189 -16.929 564 HG21 VAL 67 3HG2 VAL 67 -26.879 11.962 -16.285 565 HG22 VAL 67 1HG2 VAL 67 -25.265 11.574 -15.688 566 HG23 VAL 67 2HG2 VAL 67 -25.503 11.985 -17.387 567 H THR 68 H THR 68 -28.916 8.769 -17.741 568 HA THR 68 HA THR 68 -28.032 6.040 -18.117 569 HB THR 68 HB THR 68 -29.560 6.555 -16.274 570 HG1 THR 68 HG1 THR 68 -31.009 5.013 -18.163 571 HG21 THR 68 3HG2 THR 68 -30.795 8.391 -17.335 572 HG22 THR 68 1HG2 THR 68 -31.888 7.160 -16.706 573 HG23 THR 68 2HG2 THR 68 -31.555 7.242 -18.436 574 H ARG 69 H ARG 69 -29.802 8.451 -19.882 575 HA ARG 69 HA ARG 69 -31.259 6.871 -21.650 576 HB2 ARG 69 2HB ARG 69 -31.698 9.188 -21.671 577 HB3 ARG 69 3HB ARG 69 -30.005 9.591 -21.925 578 HG2 ARG 69 2HG ARG 69 -31.428 9.935 -23.920 579 HG3 ARG 69 3HG ARG 69 -30.094 8.812 -24.187 580 HD2 ARG 69 2HD ARG 69 -31.491 7.158 -24.708 581 HD3 ARG 69 3HD ARG 69 -32.451 7.431 -23.255 582 HE ARG 69 HE ARG 69 -33.121 9.436 -25.045 583 HH11 ARG 69 1HH1 ARG 69 -33.299 5.963 -24.877 584 HH12 ARG 69 2HH1 ARG 69 -34.710 5.857 -25.877 585 HH21 ARG 69 1HH2 ARG 69 -34.979 9.309 -26.363 586 HH22 ARG 69 2HH2 ARG 69 -35.664 7.760 -26.723 587 H THR 70 H THR 70 -27.906 7.998 -21.856 588 HA THR 70 HA THR 70 -27.512 6.381 -24.267 589 HB THR 70 HB THR 70 -26.665 8.615 -24.490 590 HG1 THR 70 HG1 THR 70 -25.242 7.325 -25.502 591 HG21 THR 70 3HG2 THR 70 -26.428 9.231 -22.164 592 HG22 THR 70 1HG2 THR 70 -24.888 9.475 -22.987 593 HG23 THR 70 2HG2 THR 70 -25.122 8.065 -21.954 594 H GLN 71 H GLN 71 -27.403 5.881 -21.061 595 HA GLN 71 HA GLN 71 -26.406 4.360 -19.695 596 HB2 GLN 71 2HB GLN 71 -27.024 2.920 -21.722 597 HB3 GLN 71 3HB GLN 71 -25.327 3.028 -22.171 598 HG2 GLN 71 2HG GLN 71 -25.000 2.220 -19.672 599 HG3 GLN 71 3HG GLN 71 -26.615 1.566 -19.940 600 HE21 GLN 71 1HE2 GLN 71 -23.535 0.709 -19.933 601 HE22 GLN 71 2HE2 GLN 71 -23.524 -0.504 -21.163 602 H GLN 72 H GLN 72 -24.989 6.656 -19.936 603 HA GLN 72 HA GLN 72 -22.192 5.835 -20.295 604 HB2 GLN 72 2HB GLN 72 -23.641 8.414 -20.542 605 HB3 GLN 72 3HB GLN 72 -21.994 8.486 -19.931 606 HG2 GLN 72 2HG GLN 72 -22.192 6.788 -22.261 607 HG3 GLN 72 3HG GLN 72 -22.787 8.416 -22.581 608 HE21 GLN 72 1HE2 GLN 72 -20.105 6.483 -22.513 609 HE22 GLN 72 2HE2 GLN 72 -18.883 7.702 -22.460 610 H TRP 73 H TRP 73 -24.413 5.996 -17.911 611 HA TRP 73 HA TRP 73 -23.196 7.378 -15.816 612 HB2 TRP 73 2HB TRP 73 -24.516 5.859 -14.328 613 HB3 TRP 73 3HB TRP 73 -25.468 6.612 -15.605 614 HD1 TRP 73 HD1 TRP 73 -26.412 5.021 -17.537 615 HE1 TRP 73 HE1 TRP 73 -26.748 2.472 -17.654 616 HE3 TRP 73 HE3 TRP 73 -23.502 3.635 -13.568 617 HZ2 TRP 73 HZ2 TRP 73 -25.892 0.177 -16.251 618 HZ3 TRP 73 HZ3 TRP 73 -23.314 1.244 -13.022 619 HH2 TRP 73 HH2 TRP 73 -24.486 -0.448 -14.336 620 H SER 74 H SER 74 -22.598 4.172 -17.100 621 HA SER 74 HA SER 74 -21.035 3.182 -14.971 622 HB2 SER 74 2HB SER 74 -20.319 1.464 -16.503 623 HB3 SER 74 3HB SER 74 -22.019 1.804 -16.827 624 HG SER 74 HG SER 74 -20.859 1.709 -18.764 625 H MET 75 H MET 75 -20.147 4.851 -17.977 626 HA MET 75 HA MET 75 -17.348 4.820 -17.424 627 HB2 MET 75 2HB MET 75 -18.669 5.148 -19.685 628 HB3 MET 75 3HB MET 75 -18.574 6.848 -19.244 629 HG2 MET 75 2HG MET 75 -16.018 6.176 -18.880 630 HG3 MET 75 3HG MET 75 -16.452 4.984 -20.104 631 HE1 MET 75 3HE MET 75 -14.354 7.701 -21.798 632 HE2 MET 75 1HE MET 75 -14.381 6.176 -20.913 633 HE3 MET 75 2HE MET 75 -15.028 6.255 -22.552 634 H VAL 76 H VAL 76 -19.916 7.237 -17.076 635 HA VAL 76 HA VAL 76 -18.278 9.358 -16.211 636 HB VAL 76 HB VAL 76 -21.182 8.859 -15.540 637 HG11 VAL 76 1HG1 VAL 76 -19.343 11.161 -15.130 638 HG12 VAL 76 2HG1 VAL 76 -21.027 11.491 -15.542 639 HG13 VAL 76 3HG1 VAL 76 -20.638 10.551 -14.100 640 HG21 VAL 76 3HG2 VAL 76 -21.697 9.391 -17.636 641 HG22 VAL 76 1HG2 VAL 76 -20.719 10.857 -17.548 642 HG23 VAL 76 2HG2 VAL 76 -19.980 9.330 -18.032 643 H ALA 77 H ALA 77 -20.093 6.900 -14.407 644 HA ALA 77 HA ALA 77 -19.623 7.805 -11.826 645 HB1 ALA 77 1HB ALA 77 -20.092 5.081 -12.974 646 HB2 ALA 77 2HB ALA 77 -19.766 5.288 -11.253 647 HB3 ALA 77 3HB ALA 77 -21.162 6.077 -11.987 648 H GLN 78 H GLN 78 -17.571 5.874 -13.945 649 HA GLN 78 HA GLN 78 -15.618 5.186 -12.035 650 HB2 GLN 78 2HB GLN 78 -15.705 3.992 -14.114 651 HB3 GLN 78 3HB GLN 78 -15.469 5.471 -15.036 652 HG2 GLN 78 2HG GLN 78 -13.333 4.941 -13.125 653 HG3 GLN 78 3HG GLN 78 -13.518 3.686 -14.349 654 HE21 GLN 78 1HE2 GLN 78 -13.094 4.157 -16.484 655 HE22 GLN 78 2HE2 GLN 78 -12.298 5.607 -16.982 656 H ARG 79 H ARG 79 -16.117 8.043 -13.989 657 HA ARG 79 HA ARG 79 -13.596 9.221 -13.783 658 HB2 ARG 79 2HB ARG 79 -16.122 9.956 -14.765 659 HB3 ARG 79 3HB ARG 79 -15.692 11.198 -13.597 660 HG2 ARG 79 2HG ARG 79 -14.708 12.113 -15.408 661 HG3 ARG 79 3HG ARG 79 -13.381 11.056 -14.923 662 HD2 ARG 79 2HD ARG 79 -13.590 9.777 -16.747 663 HD3 ARG 79 3HD ARG 79 -15.349 9.735 -16.621 664 HE ARG 79 HE ARG 79 -13.808 11.398 -18.329 665 HH11 ARG 79 1HH1 ARG 79 -16.706 11.344 -16.400 666 HH12 ARG 79 2HH1 ARG 79 -17.524 12.531 -17.361 667 HH21 ARG 79 1HH2 ARG 79 -14.874 12.962 -19.602 668 HH22 ARG 79 2HH2 ARG 79 -16.482 13.451 -19.182 669 H LEU 80 H LEU 80 -16.378 9.374 -11.595 670 HA LEU 80 HA LEU 80 -14.791 10.908 -9.673 671 HB2 LEU 80 2HB LEU 80 -17.011 10.940 -8.416 672 HB3 LEU 80 3HB LEU 80 -16.898 11.868 -9.910 673 HG LEU 80 HG LEU 80 -17.983 9.111 -10.094 674 HD11 LEU 80 1HD1 LEU 80 -19.038 10.091 -8.062 675 HD12 LEU 80 2HD1 LEU 80 -20.171 9.750 -9.370 676 HD13 LEU 80 3HD1 LEU 80 -19.644 11.406 -9.070 677 HD21 LEU 80 3HD2 LEU 80 -17.626 10.852 -11.970 678 HD22 LEU 80 1HD2 LEU 80 -19.074 11.617 -11.315 679 HD23 LEU 80 2HD2 LEU 80 -19.146 9.959 -11.913 680 H GLN 81 H GLN 81 -15.352 7.746 -10.410 681 HA GLN 81 HA GLN 81 -14.950 5.785 -9.329 682 HB2 GLN 81 2HB GLN 81 -13.124 7.458 -8.297 683 HB3 GLN 81 3HB GLN 81 -14.034 7.106 -6.835 684 HG2 GLN 81 2HG GLN 81 -13.717 4.617 -7.748 685 HG3 GLN 81 3HG GLN 81 -12.283 5.364 -8.449 686 HE21 GLN 81 1HE2 GLN 81 -14.039 4.969 -5.411 687 HE22 GLN 81 2HE2 GLN 81 -12.644 4.998 -4.393 688 H ILE 82 H ILE 82 -17.515 6.583 -9.253 689 HA ILE 82 HA ILE 82 -18.409 6.204 -6.479 690 HB ILE 82 HB ILE 82 -19.319 8.180 -7.612 691 HG12 ILE 82 2HG1 ILE 82 -21.731 6.492 -7.525 692 HG13 ILE 82 3HG1 ILE 82 -20.691 6.352 -6.112 693 HG21 ILE 82 1HG2 ILE 82 -19.266 7.455 -9.900 694 HG22 ILE 82 2HG2 ILE 82 -20.430 6.174 -9.566 695 HG23 ILE 82 3HG2 ILE 82 -20.929 7.863 -9.477 696 HD11 ILE 82 3HD1 ILE 82 -20.765 8.992 -6.263 697 HD12 ILE 82 1HD1 ILE 82 -22.292 8.646 -7.074 698 HD13 ILE 82 2HD1 ILE 82 -22.013 8.061 -5.434 699 H SER 83 H SER 83 -18.325 4.736 -9.604 700 HA SER 83 HA SER 83 -19.541 2.330 -8.505 701 HB2 SER 83 2HB SER 83 -21.279 3.865 -9.736 702 HB3 SER 83 3HB SER 83 -20.518 3.229 -11.194 703 HG SER 83 HG SER 83 -21.127 1.187 -10.619 704 H ASP 84 H ASP 84 -17.053 2.164 -8.766 705 HA ASP 84 HA ASP 84 -16.242 1.480 -11.480 706 HB2 ASP 84 2HB ASP 84 -14.820 1.954 -8.897 707 HB3 ASP 84 3HB ASP 84 -14.034 0.951 -10.112 708 H TYR 85 H TYR 85 -18.071 -0.269 -11.046 709 HA TYR 85 HA TYR 85 -18.504 -2.505 -11.082 710 HB2 TYR 85 2HB TYR 85 -15.597 -3.051 -10.517 711 HB3 TYR 85 3HB TYR 85 -16.750 -4.054 -11.391 712 HD1 TYR 85 HD1 TYR 85 -17.885 -2.506 -13.429 713 HD2 TYR 85 HD2 TYR 85 -13.932 -2.241 -11.879 714 HE1 TYR 85 HE1 TYR 85 -17.123 -1.535 -15.557 715 HE2 TYR 85 HE2 TYR 85 -13.159 -1.268 -14.002 716 HH TYR 85 HH TYR 85 -15.126 -1.220 -16.826 717 H GLN 86 H GLN 86 -16.634 -4.319 -9.415 718 HA GLN 86 HA GLN 86 -18.223 -4.634 -7.189 719 HB2 GLN 86 2HB GLN 86 -16.358 -5.894 -6.199 720 HB3 GLN 86 3HB GLN 86 -16.601 -6.310 -7.890 721 HG2 GLN 86 2HG GLN 86 -14.737 -4.846 -8.509 722 HG3 GLN 86 3HG GLN 86 -14.483 -4.466 -6.807 723 HE21 GLN 86 1HE2 GLN 86 -13.387 -5.868 -5.538 724 HE22 GLN 86 2HE2 GLN 86 -12.681 -7.339 -6.104 725 H GLN 87 H GLN 87 -15.511 -2.463 -7.659 726 HA GLN 87 HA GLN 87 -15.002 -1.732 -5.023 727 HB2 GLN 87 2HB GLN 87 -14.742 -0.257 -7.630 728 HB3 GLN 87 3HB GLN 87 -14.328 0.516 -6.105 729 HG2 GLN 87 2HG GLN 87 -12.531 -0.888 -5.728 730 HG3 GLN 87 3HG GLN 87 -13.144 -2.130 -6.818 731 HE21 GLN 87 1HE2 GLN 87 -11.392 -2.306 -8.119 732 HE22 GLN 87 2HE2 GLN 87 -10.814 -1.036 -9.137 733 H LEU 88 H LEU 88 -17.631 -0.881 -7.126 734 HA LEU 88 HA LEU 88 -18.560 1.461 -5.978 735 HB2 LEU 88 2HB LEU 88 -20.536 1.093 -7.091 736 HB3 LEU 88 3HB LEU 88 -19.412 0.094 -8.010 737 HG LEU 88 HG LEU 88 -20.301 -1.765 -6.325 738 HD11 LEU 88 1HD1 LEU 88 -21.841 0.269 -5.470 739 HD12 LEU 88 2HD1 LEU 88 -22.323 -1.426 -5.393 740 HD13 LEU 88 3HD1 LEU 88 -22.886 -0.409 -6.720 741 HD21 LEU 88 3HD2 LEU 88 -20.926 -2.604 -8.279 742 HD22 LEU 88 1HD2 LEU 88 -20.787 -1.004 -9.007 743 HD23 LEU 88 2HD2 LEU 88 -22.322 -1.525 -8.314 744 H GLU 89 H GLU 89 -18.658 -1.789 -4.762 745 HA GLU 89 HA GLU 89 -20.708 -1.423 -2.835 746 HB2 GLU 89 2HB GLU 89 -19.740 -3.624 -3.717 747 HB3 GLU 89 3HB GLU 89 -18.423 -3.369 -2.581 748 HG2 GLU 89 2HG GLU 89 -19.967 -3.401 -0.725 749 HG3 GLU 89 3HG GLU 89 -21.332 -3.542 -1.831 750 H SER 90 H SER 90 -17.172 -1.202 -2.677 751 HA SER 90 HA SER 90 -17.044 -0.633 0.094 752 HB2 SER 90 2HB SER 90 -15.192 -0.812 -2.133 753 HB3 SER 90 3HB SER 90 -14.791 0.539 -1.073 754 HG SER 90 HG SER 90 -15.195 -2.153 -0.261 755 H ILE 91 H ILE 91 -17.099 1.424 -2.787 756 HA ILE 91 HA ILE 91 -16.773 3.880 -1.424 757 HB ILE 91 HB ILE 91 -18.114 3.375 -4.083 758 HG12 ILE 91 2HG1 ILE 91 -15.431 4.516 -4.104 759 HG13 ILE 91 3HG1 ILE 91 -15.471 2.919 -3.365 760 HG21 ILE 91 1HG2 ILE 91 -17.415 5.825 -2.582 761 HG22 ILE 91 2HG2 ILE 91 -17.093 5.831 -4.315 762 HG23 ILE 91 3HG2 ILE 91 -18.726 5.527 -3.722 763 HD11 ILE 91 3HD1 ILE 91 -16.185 3.721 -6.154 764 HD12 ILE 91 1HD1 ILE 91 -15.049 2.490 -5.602 765 HD13 ILE 91 2HD1 ILE 91 -16.785 2.217 -5.454 766 H TYR 92 H TYR 92 -19.635 2.067 -2.447 767 HA TYR 92 HA TYR 92 -21.543 4.009 -1.713 768 HB2 TYR 92 2HB TYR 92 -21.958 2.021 -3.192 769 HB3 TYR 92 3HB TYR 92 -21.940 1.012 -1.749 770 HD1 TYR 92 HD2 TYR 92 -23.713 3.851 -3.358 771 HD2 TYR 92 HD1 TYR 92 -23.874 0.757 -0.441 772 HE1 TYR 92 HE2 TYR 92 -26.108 4.299 -3.023 773 HE2 TYR 92 HE1 TYR 92 -26.270 1.196 -0.099 774 HH TYR 92 HH TYR 92 -27.978 2.558 -0.568 775 H PHE 93 H PHE 93 -20.147 1.271 0.044 776 HA PHE 93 HA PHE 93 -21.738 1.512 2.358 777 HB2 PHE 93 2HB PHE 93 -19.964 -0.326 1.506 778 HB3 PHE 93 3HB PHE 93 -18.956 0.531 2.666 779 HD1 PHE 93 HD1 PHE 93 -19.708 0.700 5.045 780 HD2 PHE 93 HD2 PHE 93 -21.633 -1.824 2.209 781 HE1 PHE 93 HE1 PHE 93 -20.736 -0.574 6.881 782 HE2 PHE 93 HE2 PHE 93 -22.665 -3.101 4.041 783 HZ PHE 93 HZ PHE 93 -22.218 -2.476 6.381 784 H ARG 94 H ARG 94 -18.472 2.720 1.629 785 HA ARG 94 HA ARG 94 -18.075 4.024 4.094 786 HB2 ARG 94 2HB ARG 94 -16.792 4.062 1.423 787 HB3 ARG 94 3HB ARG 94 -16.508 5.466 2.442 788 HG2 ARG 94 2HG ARG 94 -14.767 3.728 2.647 789 HG3 ARG 94 3HG ARG 94 -15.574 4.094 4.173 790 HD2 ARG 94 2HD ARG 94 -16.606 2.063 4.275 791 HD3 ARG 94 3HD ARG 94 -16.687 1.896 2.522 792 HE ARG 94 HE ARG 94 -14.022 1.745 3.606 793 HH11 ARG 94 1HH1 ARG 94 -16.899 -0.026 2.768 794 HH12 ARG 94 2HH1 ARG 94 -16.076 -1.542 2.604 795 HH21 ARG 94 1HH2 ARG 94 -12.926 -0.244 3.393 796 HH22 ARG 94 2HH2 ARG 94 -13.816 -1.664 2.960 797 H ILE 95 H ILE 95 -19.727 4.962 1.173 798 HA ILE 95 HA ILE 95 -19.902 7.749 1.881 799 HB ILE 95 HB ILE 95 -21.141 6.091 -0.299 800 HG12 ILE 95 2HG1 ILE 95 -19.363 8.529 -0.449 801 HG13 ILE 95 3HG1 ILE 95 -18.744 6.881 -0.418 802 HG21 ILE 95 1HG2 ILE 95 -22.890 7.579 0.193 803 HG22 ILE 95 2HG2 ILE 95 -21.780 8.916 0.489 804 HG23 ILE 95 3HG2 ILE 95 -22.025 8.321 -1.152 805 HD11 ILE 95 3HD1 ILE 95 -20.070 6.421 -2.470 806 HD12 ILE 95 1HD1 ILE 95 -20.482 8.134 -2.526 807 HD13 ILE 95 2HD1 ILE 95 -18.800 7.627 -2.678 808 H LEU 96 H LEU 96 -21.777 4.876 2.395 809 HA LEU 96 HA LEU 96 -24.150 6.341 3.196 810 HB2 LEU 96 2HB LEU 96 -23.786 3.879 2.125 811 HB3 LEU 96 3HB LEU 96 -23.945 3.476 3.833 812 HG LEU 96 HG LEU 96 -26.073 3.289 2.631 813 HD11 LEU 96 1HD1 LEU 96 -25.874 4.010 5.060 814 HD12 LEU 96 2HD1 LEU 96 -27.401 4.353 4.248 815 HD13 LEU 96 3HD1 LEU 96 -26.223 5.643 4.490 816 HD21 LEU 96 3HD2 LEU 96 -26.875 4.849 1.248 817 HD22 LEU 96 1HD2 LEU 96 -25.257 5.549 1.297 818 HD23 LEU 96 2HD2 LEU 96 -26.514 6.158 2.374 819 H LEU 97 H LEU 97 -21.267 5.262 4.619 820 HA LEU 97 HA LEU 97 -21.815 4.449 7.141 821 HB2 LEU 97 2HB LEU 97 -19.635 5.668 5.830 822 HB3 LEU 97 3HB LEU 97 -19.865 6.533 7.348 823 HG LEU 97 HG LEU 97 -19.978 3.780 7.956 824 HD11 LEU 97 1HD1 LEU 97 -17.654 4.487 6.172 825 HD12 LEU 97 2HD1 LEU 97 -18.905 3.287 5.848 826 HD13 LEU 97 3HD1 LEU 97 -17.766 3.038 7.171 827 HD21 LEU 97 3HD2 LEU 97 -18.411 4.343 9.521 828 HD22 LEU 97 1HD2 LEU 97 -19.034 5.947 9.129 829 HD23 LEU 97 2HD2 LEU 97 -17.520 5.391 8.415 830 HA PRO 98 HA PRO 98 -24.129 7.527 9.253 831 HB2 PRO 98 2HB PRO 98 -23.264 7.143 11.797 832 HB3 PRO 98 3HB PRO 98 -24.337 6.011 10.966 833 HG2 PRO 98 2HG PRO 98 -21.375 5.863 11.371 834 HG3 PRO 98 3HG PRO 98 -22.590 4.580 11.521 835 HD2 PRO 98 2HD PRO 98 -21.023 4.854 9.329 836 HD3 PRO 98 3HD PRO 98 -22.683 4.229 9.245 837 H TYR 99 H TYR 99 -20.657 7.408 9.964 838 HA TYR 99 HA TYR 99 -20.513 10.014 11.083 839 HB2 TYR 99 2HB TYR 99 -18.263 8.465 9.792 840 HB3 TYR 99 3HB TYR 99 -18.125 9.743 10.994 841 HD1 TYR 99 HD2 TYR 99 -20.001 9.035 13.051 842 HD2 TYR 99 HD1 TYR 99 -17.519 6.485 10.718 843 HE1 TYR 99 HE2 TYR 99 -20.048 7.355 14.847 844 HE2 TYR 99 HE1 TYR 99 -17.561 4.797 12.507 845 HH TYR 99 HH TYR 99 -19.708 4.641 14.837 846 H GLU 100 H GLU 100 -19.831 8.715 7.854 847 HA GLU 100 HA GLU 100 -18.958 11.153 6.724 848 HB2 GLU 100 2HB GLU 100 -18.496 8.940 5.728 849 HB3 GLU 100 3HB GLU 100 -20.204 8.768 5.346 850 HG2 GLU 100 2HG GLU 100 -18.947 11.217 4.331 851 HG3 GLU 100 3HG GLU 100 -18.335 9.715 3.641 852 H ARG 101 H ARG 101 -22.110 9.507 6.651 853 HA ARG 101 HA ARG 101 -23.445 11.447 5.113 854 HB2 ARG 101 2HB ARG 101 -25.469 10.358 5.750 855 HB3 ARG 101 3HB ARG 101 -24.242 9.109 5.586 856 HG2 ARG 101 2HG ARG 101 -23.954 9.083 8.020 857 HG3 ARG 101 3HG ARG 101 -25.211 10.313 8.170 858 HD2 ARG 101 2HD ARG 101 -25.499 7.492 7.158 859 HD3 ARG 101 3HD ARG 101 -26.216 8.196 8.606 860 HE ARG 101 HE ARG 101 -27.239 8.335 5.950 861 HH11 ARG 101 1HH1 ARG 101 -27.035 10.063 8.965 862 HH12 ARG 101 2HH1 ARG 101 -28.491 10.963 8.698 863 HH21 ARG 101 1HH2 ARG 101 -29.158 9.514 5.587 864 HH22 ARG 101 2HH2 ARG 101 -29.698 10.649 6.777 865 H HIS 102 H HIS 102 -22.861 11.161 8.564 866 HA HIS 102 HA HIS 102 -24.647 13.204 9.383 867 HB2 HIS 102 2HB HIS 102 -22.364 11.744 10.633 868 HB3 HIS 102 3HB HIS 102 -22.920 13.229 11.398 869 HD1 HIS 102 HD1 HIS 102 -23.320 10.966 13.153 870 HD2 HIS 102 HD2 HIS 102 -26.068 11.811 10.153 871 HE1 HIS 102 HE1 HIS 102 -25.455 9.842 13.861 872 H MET 103 H MET 103 -21.172 13.189 8.663 873 HA MET 103 HA MET 103 -20.634 15.851 9.324 874 HB2 MET 103 2HB MET 103 -19.351 13.917 7.413 875 HB3 MET 103 3HB MET 103 -18.759 15.565 7.570 876 HG2 MET 103 2HG MET 103 -19.006 13.630 9.859 877 HG3 MET 103 3HG MET 103 -17.530 13.899 8.934 878 HE1 MET 103 3HE MET 103 -16.818 15.425 12.372 879 HE2 MET 103 1HE MET 103 -18.482 14.857 12.513 880 HE3 MET 103 2HE MET 103 -17.291 13.890 11.643 881 H ILE 104 H ILE 104 -21.662 14.409 6.251 882 HA ILE 104 HA ILE 104 -21.683 16.927 4.872 883 HB ILE 104 HB ILE 104 -22.629 15.731 3.005 884 HG12 ILE 104 2HG1 ILE 104 -22.956 13.409 4.917 885 HG13 ILE 104 3HG1 ILE 104 -24.262 14.373 4.237 886 HG21 ILE 104 1HG2 ILE 104 -20.631 13.890 4.297 887 HG22 ILE 104 2HG2 ILE 104 -20.876 14.192 2.578 888 HG23 ILE 104 3HG2 ILE 104 -20.200 15.455 3.607 889 HD11 ILE 104 3HD1 ILE 104 -24.381 12.804 2.671 890 HD12 ILE 104 1HD1 ILE 104 -22.910 13.517 2.010 891 HD13 ILE 104 2HD1 ILE 104 -22.807 12.134 3.101 892 H SER 105 H SER 105 -23.913 15.132 6.801 893 HA SER 105 HA SER 105 -26.346 16.131 5.820 894 HB2 SER 105 2HB SER 105 -26.382 14.256 7.315 895 HB3 SER 105 3HB SER 105 -25.549 15.168 8.573 896 HG SER 105 HG SER 105 -28.182 15.563 7.601 897 H GLN 106 H GLN 106 -23.988 17.470 8.037 898 HA GLN 106 HA GLN 106 -25.542 19.528 9.139 899 HB2 GLN 106 2HB GLN 106 -22.976 18.644 9.471 900 HB3 GLN 106 3HB GLN 106 -22.716 20.185 8.663 901 HG2 GLN 106 2HG GLN 106 -24.508 20.932 10.521 902 HG3 GLN 106 3HG GLN 106 -23.714 19.606 11.370 903 HE21 GLN 106 1HE2 GLN 106 -23.710 22.649 11.573 904 HE22 GLN 106 2HE2 GLN 106 -22.032 23.048 11.675 905 H GLU 107 H GLU 107 -23.534 19.433 6.223 906 HA GLU 107 HA GLU 107 -24.581 22.078 5.477 907 HB2 GLU 107 2HB GLU 107 -22.024 21.483 5.596 908 HB3 GLU 107 3HB GLU 107 -22.325 20.750 4.027 909 HG2 GLU 107 2HG GLU 107 -22.759 22.764 3.013 910 HG3 GLU 107 3HG GLU 107 -23.223 23.546 4.523 911 H GLY 108 H GLY 108 -25.929 19.423 5.204 912 HA2 GLY 108 2HA GLY 108 -26.986 19.835 2.587 913 HA3 GLY 108 3HA GLY 108 -25.944 18.422 2.631 914 H ILE 109 H ILE 109 -28.288 19.738 4.964 915 HA ILE 109 HA ILE 109 -29.237 17.266 5.828 916 HB ILE 109 HB ILE 109 -31.282 18.547 6.578 917 HG12 ILE 109 2HG1 ILE 109 -29.742 20.933 5.543 918 HG13 ILE 109 3HG1 ILE 109 -31.130 20.235 4.716 919 HG21 ILE 109 1HG2 ILE 109 -30.172 19.458 8.395 920 HG22 ILE 109 2HG2 ILE 109 -29.014 18.274 7.792 921 HG23 ILE 109 3HG2 ILE 109 -28.799 19.985 7.421 922 HD11 ILE 109 3HD1 ILE 109 -31.502 20.962 7.552 923 HD12 ILE 109 1HD1 ILE 109 -31.319 22.285 6.401 924 HD13 ILE 109 2HD1 ILE 109 -32.608 21.100 6.185 925 H LYS 110 H LYS 110 -29.970 19.064 2.973 926 HA LYS 110 HA LYS 110 -32.505 18.096 2.336 927 HB2 LYS 110 2HB LYS 110 -30.260 18.698 0.403 928 HB3 LYS 110 3HB LYS 110 -31.978 18.661 0.028 929 HG2 LYS 110 2HG LYS 110 -30.784 20.562 2.025 930 HG3 LYS 110 3HG LYS 110 -30.954 20.941 0.310 931 HD2 LYS 110 2HD LYS 110 -33.381 20.539 0.492 932 HD3 LYS 110 3HD LYS 110 -33.184 20.238 2.220 933 HE2 LYS 110 2HE LYS 110 -32.079 22.577 2.256 934 HE3 LYS 110 3HE LYS 110 -32.871 22.799 0.697 935 HZ1 LYS 110 3HZ LYS 110 -34.208 22.169 3.272 936 HZ2 LYS 110 1HZ LYS 110 -34.994 22.278 1.778 937 HZ3 LYS 110 2HZ LYS 110 -34.260 23.646 2.448 938 H GLU 111 H GLU 111 -29.410 16.541 2.246 939 HA GLU 111 HA GLU 111 -30.177 14.416 0.485 940 HB2 GLU 111 2HB GLU 111 -27.804 15.145 2.074 941 HB3 GLU 111 3HB GLU 111 -28.049 13.417 1.858 942 HG2 GLU 111 2HG GLU 111 -28.376 14.940 -0.602 943 HG3 GLU 111 3HG GLU 111 -26.771 15.092 0.110 944 H THR 112 H THR 112 -30.444 15.041 3.877 945 HA THR 112 HA THR 112 -30.683 12.407 4.836 946 HB THR 112 HB THR 112 -32.082 14.838 5.962 947 HG1 THR 112 HG1 THR 112 -30.105 14.949 7.261 948 HG21 THR 112 3HG2 THR 112 -32.716 12.588 6.859 949 HG22 THR 112 1HG2 THR 112 -32.014 13.674 8.057 950 HG23 THR 112 2HG2 THR 112 -31.040 12.377 7.364 951 H GLN 113 H GLN 113 -33.174 14.740 3.824 952 HA GLN 113 HA GLN 113 -35.373 13.035 4.264 953 HB2 GLN 113 2HB GLN 113 -34.901 15.650 3.112 954 HB3 GLN 113 3HB GLN 113 -36.094 14.755 2.181 955 HG2 GLN 113 2HG GLN 113 -37.652 15.123 3.705 956 HG3 GLN 113 3HG GLN 113 -36.625 14.482 4.986 957 HE21 GLN 113 1HE2 GLN 113 -38.313 17.102 4.066 958 HE22 GLN 113 2HE2 GLN 113 -37.444 18.337 4.905 959 H ALA 114 H ALA 114 -33.039 13.189 1.741 960 HA ALA 114 HA ALA 114 -34.554 11.991 -0.334 961 HB1 ALA 114 1HB ALA 114 -32.030 13.094 -0.109 962 HB2 ALA 114 2HB ALA 114 -31.719 11.391 -0.446 963 HB3 ALA 114 3HB ALA 114 -32.719 12.339 -1.546 964 H LYS 115 H LYS 115 -32.911 10.741 2.448 965 HA LYS 115 HA LYS 115 -32.663 8.646 3.298 966 HB2 LYS 115 2HB LYS 115 -35.242 8.792 2.216 967 HB3 LYS 115 3HB LYS 115 -34.602 7.251 1.662 968 HG2 LYS 115 2HG LYS 115 -34.469 6.386 3.775 969 HG3 LYS 115 3HG LYS 115 -34.293 7.971 4.531 970 HD2 LYS 115 2HD LYS 115 -36.849 7.443 3.138 971 HD3 LYS 115 3HD LYS 115 -36.560 6.542 4.628 972 HE2 LYS 115 2HE LYS 115 -36.087 8.683 5.777 973 HE3 LYS 115 3HE LYS 115 -36.497 9.539 4.291 974 HZ1 LYS 115 3HZ LYS 115 -38.222 8.496 6.293 975 HZ2 LYS 115 1HZ LYS 115 -38.617 7.857 4.778 976 HZ3 LYS 115 2HZ LYS 115 -38.582 9.532 5.006 977 H ARG 116 H ARG 116 -32.788 6.125 2.325 978 HA ARG 116 HA ARG 116 -30.422 5.902 0.824 979 HB2 ARG 116 2HB ARG 116 -31.115 4.120 2.300 980 HB3 ARG 116 3HB ARG 116 -32.597 3.882 1.385 981 HG2 ARG 116 2HG ARG 116 -31.405 3.004 -0.474 982 HG3 ARG 116 3HG ARG 116 -29.854 3.472 0.225 983 HD2 ARG 116 2HD ARG 116 -31.696 1.584 1.650 984 HD3 ARG 116 3HD ARG 116 -30.594 1.010 0.399 985 HE ARG 116 HE ARG 116 -29.200 2.570 2.302 986 HH11 ARG 116 1HH1 ARG 116 -30.685 -0.550 1.876 987 HH12 ARG 116 2HH1 ARG 116 -29.653 -1.343 3.019 988 HH21 ARG 116 1HH2 ARG 116 -27.834 1.537 3.810 989 HH22 ARG 116 2HH2 ARG 116 -28.032 -0.155 4.119 Start of MODEL 3 1 H1 GLN 1 H GLN 1 6.219 12.047 -6.473 2 HA GLN 1 HA GLN 1 4.244 10.928 -5.743 3 HB2 GLN 1 2HB GLN 1 4.901 10.461 -8.634 4 HB3 GLN 1 3HB GLN 1 3.393 9.861 -7.958 5 HG2 GLN 1 2HG GLN 1 2.860 11.930 -8.899 6 HG3 GLN 1 3HG GLN 1 2.973 12.232 -7.166 7 HE21 GLN 1 1HE2 GLN 1 3.651 14.261 -7.009 8 HE22 GLN 1 2HE2 GLN 1 5.054 14.912 -7.779 9 H SER 2 H SER 2 4.075 9.274 -4.383 10 HA SER 2 HA SER 2 4.453 6.573 -5.387 11 HB2 SER 2 2HB SER 2 6.634 7.458 -4.289 12 HB3 SER 2 3HB SER 2 5.760 7.270 -2.769 13 HG SER 2 HG SER 2 7.064 5.418 -3.996 14 H LEU 3 H LEU 3 2.095 7.892 -4.799 15 HA LEU 3 HA LEU 3 1.016 6.154 -2.761 16 HB2 LEU 3 2HB LEU 3 -0.153 8.217 -1.713 17 HB3 LEU 3 3HB LEU 3 1.486 7.795 -1.223 18 HG LEU 3 HG LEU 3 1.467 9.673 -3.435 19 HD11 LEU 3 1HD1 LEU 3 0.031 10.428 -0.898 20 HD12 LEU 3 2HD1 LEU 3 -0.588 10.494 -2.548 21 HD13 LEU 3 3HD1 LEU 3 0.692 11.596 -2.042 22 HD21 LEU 3 3HD2 LEU 3 3.454 9.318 -2.200 23 HD22 LEU 3 1HD2 LEU 3 2.633 9.585 -0.662 24 HD23 LEU 3 2HD2 LEU 3 2.888 10.933 -1.771 25 H ASN 4 H ASN 4 0.398 8.908 -4.912 26 HA ASN 4 HA ASN 4 -2.274 7.808 -5.461 27 HB2 ASN 4 2HB ASN 4 -1.260 10.507 -5.131 28 HB3 ASN 4 3HB ASN 4 -2.103 10.323 -6.667 29 HD21 ASN 4 1HD2 ASN 4 -2.525 9.202 -3.323 30 HD22 ASN 4 2HD2 ASN 4 -4.197 9.621 -3.216 31 HA PRO 5 HA PRO 5 -1.243 6.746 -9.591 32 HB2 PRO 5 2HB PRO 5 -3.498 7.429 -10.940 33 HB3 PRO 5 3HB PRO 5 -3.415 6.042 -9.847 34 HG2 PRO 5 2HG PRO 5 -4.502 8.786 -9.347 35 HG3 PRO 5 3HG PRO 5 -5.177 7.214 -8.883 36 HD2 PRO 5 2HD PRO 5 -3.822 8.786 -7.145 37 HD3 PRO 5 3HD PRO 5 -3.787 7.014 -7.056 38 H ALA 6 H ALA 6 -2.391 10.012 -9.013 39 HA ALA 6 HA ALA 6 -1.957 12.009 -10.016 40 HB1 ALA 6 1HB ALA 6 0.359 11.205 -9.386 41 HB2 ALA 6 2HB ALA 6 0.550 10.731 -11.075 42 HB3 ALA 6 3HB ALA 6 0.276 12.423 -10.660 43 H LEU 7 H LEU 7 -3.590 10.222 -11.489 44 HA LEU 7 HA LEU 7 -2.778 10.712 -14.270 45 HB2 LEU 7 2HB LEU 7 -4.314 8.617 -12.910 46 HB3 LEU 7 3HB LEU 7 -5.018 9.168 -14.429 47 HG LEU 7 HG LEU 7 -2.191 8.635 -14.719 48 HD11 LEU 7 1HD1 LEU 7 -2.530 7.042 -12.920 49 HD12 LEU 7 2HD1 LEU 7 -2.313 6.202 -14.455 50 HD13 LEU 7 3HD1 LEU 7 -3.925 6.363 -13.759 51 HD21 LEU 7 3HD2 LEU 7 -2.873 7.954 -16.742 52 HD22 LEU 7 1HD2 LEU 7 -4.425 8.654 -16.282 53 HD23 LEU 7 2HD2 LEU 7 -4.142 6.925 -16.077 54 H GLN 8 H GLN 8 -5.459 11.121 -12.002 55 HA GLN 8 HA GLN 8 -6.369 13.423 -13.520 56 HB2 GLN 8 2HB GLN 8 -8.043 10.956 -13.092 57 HB3 GLN 8 3HB GLN 8 -8.767 12.534 -13.375 58 HG2 GLN 8 2HG GLN 8 -6.860 11.136 -15.238 59 HG3 GLN 8 3HG GLN 8 -8.613 11.185 -15.414 60 HE21 GLN 8 1HE2 GLN 8 -9.419 13.599 -15.141 61 HE22 GLN 8 2HE2 GLN 8 -8.610 14.721 -16.175 62 H GLU 9 H GLU 9 -5.188 13.770 -11.228 63 HA GLU 9 HA GLU 9 -7.354 14.113 -9.259 64 HB2 GLU 9 2HB GLU 9 -5.610 13.971 -7.501 65 HB3 GLU 9 3HB GLU 9 -5.777 12.486 -8.425 66 HG2 GLU 9 2HG GLU 9 -3.658 12.549 -9.068 67 HG3 GLU 9 3HG GLU 9 -3.798 14.224 -9.598 68 H LYS 10 H LYS 10 -7.278 16.082 -10.962 69 HA LYS 10 HA LYS 10 -5.377 18.133 -10.309 70 HB2 LYS 10 2HB LYS 10 -7.158 17.651 -12.405 71 HB3 LYS 10 3HB LYS 10 -7.786 19.090 -11.613 72 HG2 LYS 10 2HG LYS 10 -5.005 19.446 -11.835 73 HG3 LYS 10 3HG LYS 10 -5.569 18.831 -13.390 74 HD2 LYS 10 2HD LYS 10 -5.990 21.023 -13.770 75 HD3 LYS 10 3HD LYS 10 -7.483 20.651 -12.904 76 HE2 LYS 10 2HE LYS 10 -6.864 22.424 -11.651 77 HE3 LYS 10 3HE LYS 10 -5.876 21.220 -10.827 78 HZ1 LYS 10 3HZ LYS 10 -4.567 23.156 -11.360 79 HZ2 LYS 10 1HZ LYS 10 -4.974 23.035 -12.997 80 HZ3 LYS 10 2HZ LYS 10 -4.020 21.841 -12.273 81 H ILE 11 H ILE 11 -5.471 18.875 -8.264 82 HA ILE 11 HA ILE 11 -7.953 19.258 -6.873 83 HB ILE 11 HB ILE 11 -5.794 18.655 -5.746 84 HG12 ILE 11 2HG1 ILE 11 -6.181 20.128 -3.790 85 HG13 ILE 11 3HG1 ILE 11 -7.197 21.161 -4.790 86 HG21 ILE 11 1HG2 ILE 11 -5.005 21.507 -5.687 87 HG22 ILE 11 2HG2 ILE 11 -4.012 20.052 -5.620 88 HG23 ILE 11 3HG2 ILE 11 -4.660 20.607 -7.163 89 HD11 ILE 11 3HD1 ILE 11 -8.307 19.429 -3.253 90 HD12 ILE 11 1HD1 ILE 11 -8.890 19.588 -4.910 91 HD13 ILE 11 2HD1 ILE 11 -7.819 18.256 -4.476 92 H SER 12 H SER 12 -8.878 21.215 -6.217 93 HA SER 12 HA SER 12 -9.533 23.388 -6.394 94 HB2 SER 12 2HB SER 12 -7.901 24.971 -6.295 95 HB3 SER 12 3HB SER 12 -6.844 23.569 -6.125 96 HG SER 12 HG SER 12 -5.991 24.755 -7.761 97 H THR 13 H THR 13 -10.536 24.708 -7.896 98 HA THR 13 HA THR 13 -10.121 24.002 -10.727 99 HB THR 13 HB THR 13 -12.763 24.784 -10.611 100 HG1 THR 13 HG1 THR 13 -13.654 24.001 -8.818 101 HG21 THR 13 3HG2 THR 13 -11.237 22.399 -11.154 102 HG22 THR 13 1HG2 THR 13 -12.735 22.959 -11.894 103 HG23 THR 13 2HG2 THR 13 -12.787 21.992 -10.420 104 H GLU 14 H GLU 14 -11.549 26.421 -8.537 105 HA GLU 14 HA GLU 14 -10.573 28.512 -10.358 106 HB2 GLU 14 2HB GLU 14 -13.294 27.889 -9.822 107 HB3 GLU 14 3HB GLU 14 -12.940 29.427 -9.049 108 HG2 GLU 14 2HG GLU 14 -12.124 28.957 -11.880 109 HG3 GLU 14 3HG GLU 14 -13.792 29.375 -11.493 110 H LEU 15 H LEU 15 -10.210 27.202 -7.453 111 HA LEU 15 HA LEU 15 -9.043 27.955 -5.626 112 HB2 LEU 15 2HB LEU 15 -8.535 29.929 -7.400 113 HB3 LEU 15 3HB LEU 15 -9.434 30.823 -6.177 114 HG LEU 15 HG LEU 15 -7.311 29.149 -5.068 115 HD11 LEU 15 1HD1 LEU 15 -6.032 29.624 -6.966 116 HD12 LEU 15 2HD1 LEU 15 -5.564 30.863 -5.803 117 HD13 LEU 15 3HD1 LEU 15 -6.683 31.257 -7.108 118 HD21 LEU 15 3HD2 LEU 15 -8.167 30.641 -3.556 119 HD22 LEU 15 1HD2 LEU 15 -8.408 31.901 -4.767 120 HD23 LEU 15 2HD2 LEU 15 -6.787 31.560 -4.160 121 H ASN 16 H ASN 16 -12.115 29.097 -6.604 122 HA ASN 16 HA ASN 16 -12.803 30.016 -3.914 123 HB2 ASN 16 2HB ASN 16 -13.949 30.384 -6.625 124 HB3 ASN 16 3HB ASN 16 -15.098 30.328 -5.292 125 HD21 ASN 16 1HD2 ASN 16 -14.839 31.853 -3.567 126 HD22 ASN 16 2HD2 ASN 16 -14.097 33.383 -3.874 127 H ASN 17 H ASN 17 -13.817 27.618 -6.324 128 HA ASN 17 HA ASN 17 -15.745 26.409 -4.582 129 HB2 ASN 17 2HB ASN 17 -14.539 25.468 -7.192 130 HB3 ASN 17 3HB ASN 17 -15.855 24.652 -6.354 131 HD21 ASN 17 1HD2 ASN 17 -14.935 27.309 -8.329 132 HD22 ASN 17 2HD2 ASN 17 -16.521 27.935 -8.605 133 H LYS 18 H LYS 18 -12.368 26.158 -4.996 134 HA LYS 18 HA LYS 18 -11.786 23.530 -4.405 135 HB2 LYS 18 2HB LYS 18 -10.232 25.578 -4.866 136 HB3 LYS 18 3HB LYS 18 -10.223 25.741 -3.115 137 HG2 LYS 18 2HG LYS 18 -9.604 23.088 -4.316 138 HG3 LYS 18 3HG LYS 18 -8.378 24.358 -4.352 139 HD2 LYS 18 2HD LYS 18 -8.174 24.409 -2.054 140 HD3 LYS 18 3HD LYS 18 -9.794 23.757 -1.792 141 HE2 LYS 18 2HE LYS 18 -8.566 21.908 -1.277 142 HE3 LYS 18 3HE LYS 18 -8.743 21.655 -3.013 143 HZ1 LYS 18 3HZ LYS 18 -6.416 23.054 -1.827 144 HZ2 LYS 18 1HZ LYS 18 -6.575 22.452 -3.400 145 HZ3 LYS 18 2HZ LYS 18 -6.439 21.384 -2.096 146 H GLN 19 H GLN 19 -12.754 26.117 -2.222 147 HA GLN 19 HA GLN 19 -12.243 24.778 0.200 148 HB2 GLN 19 2HB GLN 19 -14.160 26.988 -0.525 149 HB3 GLN 19 3HB GLN 19 -13.988 26.388 1.119 150 HG2 GLN 19 2HG GLN 19 -11.720 27.092 1.223 151 HG3 GLN 19 3HG GLN 19 -11.695 27.463 -0.500 152 HE21 GLN 19 1HE2 GLN 19 -11.562 29.569 -0.756 153 HE22 GLN 19 2HE2 GLN 19 -12.460 30.761 0.115 154 H TYR 20 H TYR 20 -15.163 24.984 -1.803 155 HA TYR 20 HA TYR 20 -16.768 23.405 -0.067 156 HB2 TYR 20 2HB TYR 20 -17.049 24.677 -2.686 157 HB3 TYR 20 3HB TYR 20 -17.913 23.149 -2.565 158 HD1 TYR 20 HD2 TYR 20 -17.323 25.995 -0.206 159 HD2 TYR 20 HD1 TYR 20 -20.154 23.489 -2.159 160 HE1 TYR 20 HE2 TYR 20 -19.146 27.129 0.994 161 HE2 TYR 20 HE1 TYR 20 -21.985 24.617 -0.965 162 HH TYR 20 HH TYR 20 -21.482 26.630 1.690 163 H GLU 21 H GLU 21 -14.985 22.693 -3.054 164 HA GLU 21 HA GLU 21 -15.732 19.991 -3.255 165 HB2 GLU 21 2HB GLU 21 -14.664 21.360 -5.062 166 HB3 GLU 21 3HB GLU 21 -13.140 21.224 -4.196 167 HG2 GLU 21 2HG GLU 21 -13.529 19.623 -6.123 168 HG3 GLU 21 3HG GLU 21 -12.979 18.930 -4.598 169 H LEU 22 H LEU 22 -12.899 21.523 -1.761 170 HA LEU 22 HA LEU 22 -11.697 19.101 -0.912 171 HB2 LEU 22 2HB LEU 22 -10.391 21.110 -1.137 172 HB3 LEU 22 3HB LEU 22 -11.382 21.934 0.065 173 HG LEU 22 HG LEU 22 -10.471 19.885 1.551 174 HD11 LEU 22 1HD1 LEU 22 -7.888 20.421 0.418 175 HD12 LEU 22 2HD1 LEU 22 -8.946 19.685 -0.785 176 HD13 LEU 22 3HD1 LEU 22 -8.665 18.875 0.756 177 HD21 LEU 22 3HD2 LEU 22 -8.864 21.450 2.474 178 HD22 LEU 22 1HD2 LEU 22 -10.370 22.281 2.084 179 HD23 LEU 22 2HD2 LEU 22 -8.972 22.449 1.023 180 H PHE 23 H PHE 23 -14.073 21.247 0.500 181 HA PHE 23 HA PHE 23 -13.984 20.407 3.155 182 HB2 PHE 23 2HB PHE 23 -15.838 21.860 1.448 183 HB3 PHE 23 3HB PHE 23 -16.679 20.879 2.643 184 HD1 PHE 23 HD2 PHE 23 -13.443 22.699 2.879 185 HD2 PHE 23 HD1 PHE 23 -17.462 22.354 4.239 186 HE1 PHE 23 HE2 PHE 23 -13.009 24.416 4.587 187 HE2 PHE 23 HE1 PHE 23 -17.034 24.071 5.949 188 HZ PHE 23 HZ PHE 23 -14.805 25.104 6.125 189 H MET 24 H MET 24 -15.962 19.154 0.475 190 HA MET 24 HA MET 24 -17.038 17.022 2.065 191 HB2 MET 24 2HB MET 24 -17.486 18.145 -0.557 192 HB3 MET 24 3HB MET 24 -17.395 16.391 -0.647 193 HG2 MET 24 2HG MET 24 -19.647 16.806 -0.308 194 HG3 MET 24 3HG MET 24 -19.055 16.397 1.300 195 HE1 MET 24 3HE MET 24 -20.309 18.053 3.327 196 HE2 MET 24 1HE MET 24 -18.581 17.806 3.069 197 HE3 MET 24 2HE MET 24 -19.206 19.430 3.356 198 H LYS 25 H LYS 25 -14.393 17.410 -0.198 199 HA LYS 25 HA LYS 25 -13.840 14.691 -0.663 200 HB2 LYS 25 2HB LYS 25 -12.919 16.710 -1.910 201 HB3 LYS 25 3HB LYS 25 -11.780 16.893 -0.583 202 HG2 LYS 25 2HG LYS 25 -11.967 14.241 -1.904 203 HG3 LYS 25 3HG LYS 25 -11.167 15.556 -2.769 204 HD2 LYS 25 2HD LYS 25 -10.397 15.226 0.058 205 HD3 LYS 25 3HD LYS 25 -9.918 13.916 -1.024 206 HE2 LYS 25 2HE LYS 25 -9.062 15.819 -2.554 207 HE3 LYS 25 3HE LYS 25 -9.150 16.811 -1.100 208 HZ1 LYS 25 3HZ LYS 25 -7.834 14.301 -0.664 209 HZ2 LYS 25 1HZ LYS 25 -7.326 15.867 -0.276 210 HZ3 LYS 25 2HZ LYS 25 -7.053 15.249 -1.827 211 H SER 26 H SER 26 -12.523 16.965 1.731 212 HA SER 26 HA SER 26 -10.799 15.076 2.958 213 HB2 SER 26 2HB SER 26 -10.432 17.487 3.183 214 HB3 SER 26 3HB SER 26 -11.953 17.651 4.059 215 HG SER 26 HG SER 26 -10.731 17.331 5.742 216 H LEU 27 H LEU 27 -14.104 16.124 3.596 217 HA LEU 27 HA LEU 27 -14.416 14.750 6.051 218 HB2 LEU 27 2HB LEU 27 -16.342 15.825 4.017 219 HB3 LEU 27 3HB LEU 27 -16.900 14.943 5.437 220 HG LEU 27 HG LEU 27 -15.202 17.422 5.618 221 HD11 LEU 27 1HD1 LEU 27 -16.978 18.517 4.808 222 HD12 LEU 27 2HD1 LEU 27 -17.701 18.186 6.382 223 HD13 LEU 27 3HD1 LEU 27 -18.051 17.132 5.012 224 HD21 LEU 27 3HD2 LEU 27 -15.077 16.450 7.682 225 HD22 LEU 27 1HD2 LEU 27 -16.643 15.654 7.527 226 HD23 LEU 27 2HD2 LEU 27 -16.563 17.381 7.877 227 H ILE 28 H ILE 28 -15.375 13.919 2.726 228 HA ILE 28 HA ILE 28 -16.487 11.410 3.331 229 HB ILE 28 HB ILE 28 -15.251 12.423 0.771 230 HG12 ILE 28 2HG1 ILE 28 -17.342 13.528 1.741 231 HG13 ILE 28 3HG1 ILE 28 -17.454 12.943 0.085 232 HG21 ILE 28 1HG2 ILE 28 -16.941 10.462 -0.010 233 HG22 ILE 28 2HG2 ILE 28 -15.206 10.245 0.211 234 HG23 ILE 28 3HG2 ILE 28 -16.323 9.784 1.495 235 HD11 ILE 28 3HD1 ILE 28 -18.297 11.103 2.245 236 HD12 ILE 28 1HD1 ILE 28 -19.335 12.482 1.885 237 HD13 ILE 28 2HD1 ILE 28 -18.942 11.319 0.618 238 H GLU 29 H GLU 29 -13.226 12.304 2.234 239 HA GLU 29 HA GLU 29 -12.204 9.675 2.163 240 HB2 GLU 29 2HB GLU 29 -10.988 12.407 2.242 241 HB3 GLU 29 3HB GLU 29 -9.958 11.004 2.486 242 HG2 GLU 29 2HG GLU 29 -10.142 11.915 0.128 243 HG3 GLU 29 3HG GLU 29 -10.368 10.180 0.341 244 H ASN 30 H ASN 30 -12.466 12.064 4.717 245 HA ASN 30 HA ASN 30 -10.747 10.812 6.577 246 HB2 ASN 30 2HB ASN 30 -12.889 12.885 6.720 247 HB3 ASN 30 3HB ASN 30 -12.357 12.137 8.223 248 HD21 ASN 30 1HD2 ASN 30 -12.061 14.870 7.462 249 HD22 ASN 30 2HD2 ASN 30 -10.367 15.207 7.409 250 H CYS 31 H CYS 31 -14.306 10.798 6.336 251 HA CYS 31 HA CYS 31 -14.673 8.875 8.380 252 HB2 CYS 31 2HB CYS 31 -16.355 10.252 6.396 253 HB3 CYS 31 3HB CYS 31 -16.929 8.652 6.851 254 HG CYS 31 HG CYS 31 -16.207 9.974 9.660 255 H LYS 32 H LYS 32 -14.607 8.632 4.841 256 HA LYS 32 HA LYS 32 -15.184 5.891 4.661 257 HB2 LYS 32 2HB LYS 32 -15.271 7.430 2.741 258 HB3 LYS 32 3HB LYS 32 -13.522 7.599 2.798 259 HG2 LYS 32 2HG LYS 32 -13.913 4.867 2.652 260 HG3 LYS 32 3HG LYS 32 -15.150 5.535 1.585 261 HD2 LYS 32 2HD LYS 32 -12.261 6.371 1.462 262 HD3 LYS 32 3HD LYS 32 -12.910 5.026 0.520 263 HE2 LYS 32 2HE LYS 32 -14.539 6.554 -0.504 264 HE3 LYS 32 3HE LYS 32 -13.854 7.891 0.418 265 HZ1 LYS 32 3HZ LYS 32 -12.549 8.176 -1.350 266 HZ2 LYS 32 1HZ LYS 32 -12.899 6.649 -1.990 267 HZ3 LYS 32 2HZ LYS 32 -11.695 6.818 -0.814 268 H LYS 33 H LYS 33 -12.218 7.609 5.327 269 HA LYS 33 HA LYS 33 -10.378 5.552 4.819 270 HB2 LYS 33 2HB LYS 33 -10.388 8.103 6.286 271 HB3 LYS 33 3HB LYS 33 -9.233 6.922 6.889 272 HG2 LYS 33 2HG LYS 33 -9.321 7.376 3.962 273 HG3 LYS 33 3HG LYS 33 -8.633 8.650 4.972 274 HD2 LYS 33 2HD LYS 33 -7.603 6.159 5.870 275 HD3 LYS 33 3HD LYS 33 -7.432 6.220 4.114 276 HE2 LYS 33 2HE LYS 33 -6.133 8.173 4.201 277 HE3 LYS 33 3HE LYS 33 -6.609 8.518 5.863 278 HZ1 LYS 33 3HZ LYS 33 -5.372 6.001 5.781 279 HZ2 LYS 33 1HZ LYS 33 -4.851 7.403 6.570 280 HZ3 LYS 33 2HZ LYS 33 -4.375 7.104 4.975 281 H ARG 34 H ARG 34 -12.728 5.888 7.267 282 HA ARG 34 HA ARG 34 -11.400 4.270 9.240 283 HB2 ARG 34 2HB ARG 34 -13.416 6.056 9.396 284 HB3 ARG 34 3HB ARG 34 -14.345 4.565 9.331 285 HG2 ARG 34 2HG ARG 34 -12.738 3.781 11.209 286 HG3 ARG 34 3HG ARG 34 -12.423 5.505 11.410 287 HD2 ARG 34 2HD ARG 34 -14.541 5.946 12.152 288 HD3 ARG 34 3HD ARG 34 -15.251 4.607 11.251 289 HE ARG 34 HE ARG 34 -14.279 4.546 13.934 290 HH11 ARG 34 1HH1 ARG 34 -14.717 2.631 11.060 291 HH12 ARG 34 2HH1 ARG 34 -14.795 1.127 11.917 292 HH21 ARG 34 1HH2 ARG 34 -14.379 2.573 15.074 293 HH22 ARG 34 2HH2 ARG 34 -14.603 1.095 14.200 294 H ASN 35 H ASN 35 -12.688 3.545 6.312 295 HA ASN 35 HA ASN 35 -13.178 0.767 7.116 296 HB2 ASN 35 2HB ASN 35 -14.953 2.438 5.330 297 HB3 ASN 35 3HB ASN 35 -15.044 0.681 5.419 298 HD21 ASN 35 1HD2 ASN 35 -15.854 -0.293 7.264 299 HD22 ASN 35 2HD2 ASN 35 -16.736 0.587 8.461 300 H MET 36 H MET 36 -13.020 2.831 4.207 301 HA MET 36 HA MET 36 -11.283 0.794 2.979 302 HB2 MET 36 2HB MET 36 -13.389 1.099 1.782 303 HB3 MET 36 3HB MET 36 -13.088 2.827 1.657 304 HG2 MET 36 2HG MET 36 -11.545 2.584 0.005 305 HG3 MET 36 3HG MET 36 -11.043 0.988 0.556 306 HE1 MET 36 3HE MET 36 -10.861 -0.178 -1.386 307 HE2 MET 36 1HE MET 36 -12.129 -0.664 -2.512 308 HE3 MET 36 2HE MET 36 -11.370 0.920 -2.670 309 HA PRO 37 HA PRO 37 -8.615 4.505 3.708 310 HB2 PRO 37 2HB PRO 37 -6.440 3.069 4.466 311 HB3 PRO 37 3HB PRO 37 -7.715 3.547 5.592 312 HG2 PRO 37 2HG PRO 37 -7.290 0.923 4.214 313 HG3 PRO 37 3HG PRO 37 -7.747 1.242 5.898 314 HD2 PRO 37 2HD PRO 37 -9.551 0.526 4.009 315 HD3 PRO 37 3HD PRO 37 -9.960 1.601 5.361 316 H LEU 38 H LEU 38 -6.679 5.144 2.587 317 HA LEU 38 HA LEU 38 -5.921 3.428 0.327 318 HB2 LEU 38 2HB LEU 38 -7.568 5.561 0.008 319 HB3 LEU 38 3HB LEU 38 -5.992 6.314 -0.227 320 HG LEU 38 HG LEU 38 -5.890 4.050 -1.821 321 HD11 LEU 38 1HD1 LEU 38 -8.659 5.162 -1.718 322 HD12 LEU 38 2HD1 LEU 38 -8.125 3.487 -1.845 323 HD13 LEU 38 3HD1 LEU 38 -8.008 4.557 -3.242 324 HD21 LEU 38 3HD2 LEU 38 -4.923 5.894 -2.739 325 HD22 LEU 38 1HD2 LEU 38 -6.219 6.972 -2.221 326 HD23 LEU 38 2HD2 LEU 38 -6.453 5.921 -3.618 327 H GLN 39 H GLN 39 -4.173 5.272 -0.872 328 HA GLN 39 HA GLN 39 -1.882 4.948 0.798 329 HB2 GLN 39 2HB GLN 39 -2.391 6.099 -1.914 330 HB3 GLN 39 3HB GLN 39 -0.865 6.445 -1.113 331 HG2 GLN 39 2HG GLN 39 -1.820 3.628 -1.347 332 HG3 GLN 39 3HG GLN 39 -1.057 4.424 -2.723 333 HE21 GLN 39 1HE2 GLN 39 0.150 2.251 -1.783 334 HE22 GLN 39 2HE2 GLN 39 1.583 2.655 -0.906 335 H SER 40 H SER 40 -3.985 7.628 -0.043 336 HA SER 40 HA SER 40 -3.311 9.117 2.248 337 HB2 SER 40 2HB SER 40 -1.638 9.565 -0.109 338 HB3 SER 40 3HB SER 40 -2.409 11.039 0.475 339 HG SER 40 HG SER 40 -1.002 11.043 2.019 340 H ILE 41 H ILE 41 -3.852 10.324 -1.047 341 HA ILE 41 HA ILE 41 -6.567 11.121 -0.224 342 HB ILE 41 HB ILE 41 -6.267 13.078 -1.817 343 HG12 ILE 41 2HG1 ILE 41 -3.375 13.115 -1.361 344 HG13 ILE 41 3HG1 ILE 41 -3.892 11.808 -2.422 345 HG21 ILE 41 1HG2 ILE 41 -4.857 14.351 -0.086 346 HG22 ILE 41 2HG2 ILE 41 -6.365 13.612 0.448 347 HG23 ILE 41 3HG2 ILE 41 -4.826 12.825 0.799 348 HD11 ILE 41 3HD1 ILE 41 -4.860 13.330 -3.958 349 HD12 ILE 41 1HD1 ILE 41 -4.669 14.679 -2.838 350 HD13 ILE 41 2HD1 ILE 41 -3.248 13.931 -3.569 351 HA PRO 42 HA PRO 42 -7.193 8.474 -3.867 352 HB2 PRO 42 2HB PRO 42 -9.758 7.854 -3.227 353 HB3 PRO 42 3HB PRO 42 -8.365 7.024 -2.524 354 HG2 PRO 42 2HG PRO 42 -10.033 9.228 -1.376 355 HG3 PRO 42 3HG PRO 42 -9.414 7.765 -0.586 356 HD2 PRO 42 2HD PRO 42 -8.239 10.187 -0.294 357 HD3 PRO 42 3HD PRO 42 -7.318 8.670 -0.273 358 H GLU 43 H GLU 43 -7.390 9.713 -5.643 359 HA GLU 43 HA GLU 43 -9.870 11.263 -5.953 360 HB2 GLU 43 2HB GLU 43 -7.560 12.534 -5.545 361 HB3 GLU 43 3HB GLU 43 -7.399 12.266 -7.275 362 HG2 GLU 43 2HG GLU 43 -8.360 14.396 -7.027 363 HG3 GLU 43 3HG GLU 43 -9.666 13.327 -7.535 364 H ILE 44 H ILE 44 -10.817 11.202 -7.957 365 HA ILE 44 HA ILE 44 -9.430 9.866 -10.147 366 HB ILE 44 HB ILE 44 -12.070 8.885 -9.057 367 HG12 ILE 44 2HG1 ILE 44 -10.552 6.699 -9.128 368 HG13 ILE 44 3HG1 ILE 44 -9.262 7.884 -8.958 369 HG21 ILE 44 1HG2 ILE 44 -12.532 8.187 -11.112 370 HG22 ILE 44 2HG2 ILE 44 -10.989 8.798 -11.707 371 HG23 ILE 44 3HG2 ILE 44 -11.096 7.164 -11.053 372 HD11 ILE 44 3HD1 ILE 44 -10.996 6.812 -6.970 373 HD12 ILE 44 1HD1 ILE 44 -9.617 7.894 -6.780 374 HD13 ILE 44 2HD1 ILE 44 -11.226 8.558 -7.065 375 H GLY 45 H GLY 45 -9.641 11.210 -11.807 376 HA2 GLY 45 2HA GLY 45 -10.962 12.156 -13.543 377 HA3 GLY 45 3HA GLY 45 -12.305 12.277 -12.417 378 H ASN 46 H ASN 46 -12.237 13.944 -10.790 379 HA ASN 46 HA ASN 46 -10.276 15.922 -10.611 380 HB2 ASN 46 2HB ASN 46 -11.491 16.150 -13.037 381 HB3 ASN 46 3HB ASN 46 -12.500 17.211 -12.059 382 HD21 ASN 46 1HD2 ASN 46 -11.587 19.044 -11.113 383 HD22 ASN 46 2HD2 ASN 46 -10.084 19.697 -11.661 384 H ARG 47 H ARG 47 -11.874 14.555 -8.818 385 HA ARG 47 HA ARG 47 -13.090 14.887 -6.925 386 HB2 ARG 47 2HB ARG 47 -13.016 17.840 -7.523 387 HB3 ARG 47 3HB ARG 47 -13.158 17.055 -5.957 388 HG2 ARG 47 2HG ARG 47 -10.967 17.211 -5.715 389 HG3 ARG 47 3HG ARG 47 -10.757 16.137 -7.100 390 HD2 ARG 47 2HD ARG 47 -9.521 18.177 -7.466 391 HD3 ARG 47 3HD ARG 47 -10.873 18.096 -8.595 392 HE ARG 47 HE ARG 47 -11.426 19.560 -6.174 393 HH11 ARG 47 1HH1 ARG 47 -10.221 19.722 -9.436 394 HH12 ARG 47 2HH1 ARG 47 -10.537 21.417 -9.607 395 HH21 ARG 47 1HH2 ARG 47 -11.847 21.792 -6.387 396 HH22 ARG 47 2HH2 ARG 47 -11.461 22.594 -7.871 397 H LYS 48 H LYS 48 -15.084 14.104 -7.165 398 HA LYS 48 HA LYS 48 -17.169 15.906 -8.138 399 HB2 LYS 48 2HB LYS 48 -16.964 13.046 -9.091 400 HB3 LYS 48 3HB LYS 48 -18.158 14.242 -9.579 401 HG2 LYS 48 2HG LYS 48 -16.774 14.387 -11.362 402 HG3 LYS 48 3HG LYS 48 -15.974 15.560 -10.314 403 HD2 LYS 48 2HD LYS 48 -14.116 14.338 -10.304 404 HD3 LYS 48 3HD LYS 48 -15.006 12.931 -9.718 405 HE2 LYS 48 2HE LYS 48 -14.169 12.143 -11.713 406 HE3 LYS 48 3HE LYS 48 -15.757 12.728 -12.209 407 HZ1 LYS 48 3HZ LYS 48 -13.641 13.371 -13.550 408 HZ2 LYS 48 1HZ LYS 48 -13.459 14.550 -12.350 409 HZ3 LYS 48 2HZ LYS 48 -14.861 14.515 -13.296 410 H ILE 49 H ILE 49 -16.139 14.418 -5.610 411 HA ILE 49 HA ILE 49 -18.455 12.845 -4.867 412 HB ILE 49 HB ILE 49 -16.207 13.694 -3.049 413 HG12 ILE 49 2HG1 ILE 49 -16.327 11.210 -4.771 414 HG13 ILE 49 3HG1 ILE 49 -15.328 12.616 -5.120 415 HG21 ILE 49 1HG2 ILE 49 -18.242 11.481 -2.997 416 HG22 ILE 49 2HG2 ILE 49 -16.807 11.485 -1.972 417 HG23 ILE 49 3HG2 ILE 49 -18.002 12.773 -1.821 418 HD11 ILE 49 3HD1 ILE 49 -13.985 10.916 -4.102 419 HD12 ILE 49 1HD1 ILE 49 -14.159 12.260 -2.974 420 HD13 ILE 49 2HD1 ILE 49 -15.103 10.787 -2.744 421 H ASN 50 H ASN 50 -17.732 16.091 -4.940 422 HA ASN 50 HA ASN 50 -18.944 16.919 -2.485 423 HB2 ASN 50 2HB ASN 50 -17.298 18.332 -3.623 424 HB3 ASN 50 3HB ASN 50 -18.369 18.481 -5.013 425 HD21 ASN 50 1HD2 ASN 50 -19.086 18.620 -1.555 426 HD22 ASN 50 2HD2 ASN 50 -19.728 20.224 -1.574 427 H LEU 51 H LEU 51 -20.948 18.027 -2.245 428 HA LEU 51 HA LEU 51 -23.091 16.807 -3.672 429 HB2 LEU 51 2HB LEU 51 -22.902 17.808 -1.221 430 HB3 LEU 51 3HB LEU 51 -23.545 19.238 -2.025 431 HG LEU 51 HG LEU 51 -25.039 16.794 -2.614 432 HD11 LEU 51 1HD1 LEU 51 -26.142 17.203 -0.217 433 HD12 LEU 51 2HD1 LEU 51 -24.463 17.564 0.181 434 HD13 LEU 51 3HD1 LEU 51 -24.889 15.995 -0.503 435 HD21 LEU 51 3HD2 LEU 51 -26.350 19.057 -1.304 436 HD22 LEU 51 1HD2 LEU 51 -26.717 18.259 -2.833 437 HD23 LEU 51 2HD2 LEU 51 -25.455 19.489 -2.761 438 H PHE 52 H PHE 52 -21.298 19.733 -4.041 439 HA PHE 52 HA PHE 52 -23.300 20.922 -5.795 440 HB2 PHE 52 2HB PHE 52 -21.301 21.963 -4.107 441 HB3 PHE 52 3HB PHE 52 -20.795 22.347 -5.749 442 HD1 PHE 52 HD2 PHE 52 -23.792 22.501 -3.543 443 HD2 PHE 52 HD1 PHE 52 -21.620 24.242 -6.763 444 HE1 PHE 52 HE2 PHE 52 -25.370 24.388 -3.582 445 HE2 PHE 52 HE1 PHE 52 -23.195 26.133 -6.807 446 HZ PHE 52 HZ PHE 52 -25.073 26.207 -5.216 447 H TYR 53 H TYR 53 -20.139 19.407 -5.927 448 HA TYR 53 HA TYR 53 -19.636 20.011 -8.667 449 HB2 TYR 53 2HB TYR 53 -17.975 19.298 -6.790 450 HB3 TYR 53 3HB TYR 53 -18.424 17.659 -7.248 451 HD1 TYR 53 HD1 TYR 53 -18.417 17.354 -9.958 452 HD2 TYR 53 HD2 TYR 53 -16.041 20.099 -7.739 453 HE1 TYR 53 HE1 TYR 53 -16.784 17.417 -11.796 454 HE2 TYR 53 HE2 TYR 53 -14.402 20.171 -9.572 455 HH TYR 53 HH TYR 53 -14.771 19.581 -12.395 456 H LEU 54 H LEU 54 -20.755 17.087 -6.977 457 HA LEU 54 HA LEU 54 -21.065 15.484 -9.260 458 HB2 LEU 54 2HB LEU 54 -21.090 14.833 -6.779 459 HB3 LEU 54 3HB LEU 54 -22.798 15.264 -6.820 460 HG LEU 54 HG LEU 54 -21.974 13.382 -8.915 461 HD11 LEU 54 1HD1 LEU 54 -20.637 12.221 -7.494 462 HD12 LEU 54 2HD1 LEU 54 -22.193 11.553 -7.002 463 HD13 LEU 54 3HD1 LEU 54 -21.443 12.835 -6.051 464 HD21 LEU 54 3HD2 LEU 54 -24.319 14.191 -8.109 465 HD22 LEU 54 1HD2 LEU 54 -24.107 12.954 -6.869 466 HD23 LEU 54 2HD2 LEU 54 -24.079 12.506 -8.575 467 H TYR 55 H TYR 55 -23.088 17.941 -7.852 468 HA TYR 55 HA TYR 55 -25.454 17.221 -9.305 469 HB2 TYR 55 2HB TYR 55 -25.403 18.490 -7.114 470 HB3 TYR 55 3HB TYR 55 -24.847 19.888 -8.026 471 HD1 TYR 55 HD2 TYR 55 -27.547 17.320 -8.401 472 HD2 TYR 55 HD1 TYR 55 -26.487 21.441 -8.452 473 HE1 TYR 55 HE2 TYR 55 -29.880 17.908 -8.910 474 HE2 TYR 55 HE1 TYR 55 -28.818 22.040 -8.960 475 HH TYR 55 HH TYR 55 -31.372 19.619 -8.993 476 H MET 56 H MET 56 -23.073 19.855 -9.577 477 HA MET 56 HA MET 56 -24.141 21.059 -11.862 478 HB2 MET 56 2HB MET 56 -22.253 21.849 -10.260 479 HB3 MET 56 3HB MET 56 -21.185 20.972 -11.347 480 HG2 MET 56 2HG MET 56 -21.106 23.123 -12.170 481 HG3 MET 56 3HG MET 56 -22.304 22.352 -13.207 482 HE1 MET 56 3HE MET 56 -23.502 23.753 -14.115 483 HE2 MET 56 1HE MET 56 -25.056 24.086 -13.350 484 HE3 MET 56 2HE MET 56 -23.881 25.385 -13.562 485 H LEU 57 H LEU 57 -21.948 18.337 -11.495 486 HA LEU 57 HA LEU 57 -21.166 18.126 -14.198 487 HB2 LEU 57 2HB LEU 57 -20.185 17.005 -12.096 488 HB3 LEU 57 3HB LEU 57 -21.424 15.779 -12.351 489 HG LEU 57 HG LEU 57 -19.564 16.464 -14.585 490 HD11 LEU 57 1HD1 LEU 57 -17.991 16.143 -12.854 491 HD12 LEU 57 2HD1 LEU 57 -18.086 14.609 -13.719 492 HD13 LEU 57 3HD1 LEU 57 -18.906 14.799 -12.169 493 HD21 LEU 57 3HD2 LEU 57 -20.048 13.704 -14.281 494 HD22 LEU 57 1HD2 LEU 57 -20.676 14.789 -15.521 495 HD23 LEU 57 2HD2 LEU 57 -21.589 14.526 -14.035 496 H VAL 58 H VAL 58 -23.719 16.482 -12.348 497 HA VAL 58 HA VAL 58 -24.701 14.888 -14.431 498 HB VAL 58 HB VAL 58 -26.198 16.032 -12.068 499 HG11 VAL 58 1HG1 VAL 58 -27.034 14.336 -14.296 500 HG12 VAL 58 2HG1 VAL 58 -27.394 13.655 -12.708 501 HG13 VAL 58 3HG1 VAL 58 -28.002 15.253 -13.142 502 HG21 VAL 58 3HG2 VAL 58 -25.451 14.298 -10.807 503 HG22 VAL 58 1HG2 VAL 58 -25.338 13.201 -12.184 504 HG23 VAL 58 2HG2 VAL 58 -24.082 14.409 -11.912 505 H GLN 59 H GLN 59 -25.782 18.085 -13.297 506 HA GLN 59 HA GLN 59 -27.868 18.434 -15.119 507 HB2 GLN 59 2HB GLN 59 -27.189 19.847 -13.054 508 HB3 GLN 59 3HB GLN 59 -26.162 20.722 -14.183 509 HG2 GLN 59 2HG GLN 59 -27.876 21.908 -14.919 510 HG3 GLN 59 3HG GLN 59 -28.804 20.449 -15.263 511 HE21 GLN 59 1HE2 GLN 59 -27.901 22.671 -12.678 512 HE22 GLN 59 2HE2 GLN 59 -29.344 22.465 -11.751 513 H LYS 60 H LYS 60 -24.417 18.981 -15.441 514 HA LYS 60 HA LYS 60 -24.575 20.378 -17.924 515 HB2 LYS 60 2HB LYS 60 -22.473 19.373 -16.149 516 HB3 LYS 60 3HB LYS 60 -22.052 19.276 -17.854 517 HG2 LYS 60 2HG LYS 60 -23.094 21.794 -16.597 518 HG3 LYS 60 3HG LYS 60 -21.378 21.383 -16.627 519 HD2 LYS 60 2HD LYS 60 -21.475 21.241 -19.081 520 HD3 LYS 60 3HD LYS 60 -23.179 21.697 -19.030 521 HE2 LYS 60 2HE LYS 60 -20.832 23.361 -18.127 522 HE3 LYS 60 3HE LYS 60 -21.830 23.632 -19.554 523 HZ1 LYS 60 3HZ LYS 60 -23.562 23.515 -17.401 524 HZ2 LYS 60 1HZ LYS 60 -23.129 24.885 -18.295 525 HZ3 LYS 60 2HZ LYS 60 -22.270 24.482 -16.894 526 H PHE 61 H PHE 61 -24.253 17.012 -16.986 527 HA PHE 61 HA PHE 61 -23.679 16.071 -19.631 528 HB2 PHE 61 2HB PHE 61 -23.533 14.992 -17.075 529 HB3 PHE 61 3HB PHE 61 -24.836 14.088 -17.839 530 HD1 PHE 61 HD1 PHE 61 -24.393 12.846 -19.948 531 HD2 PHE 61 HD2 PHE 61 -21.278 14.636 -17.665 532 HE1 PHE 61 HE1 PHE 61 -22.739 11.443 -21.111 533 HE2 PHE 61 HE2 PHE 61 -19.620 13.237 -18.825 534 HZ PHE 61 HZ PHE 61 -20.349 11.639 -20.551 535 H GLY 62 H GLY 62 -26.454 17.223 -18.170 536 HA2 GLY 62 2HA GLY 62 -28.466 17.495 -19.430 537 HA3 GLY 62 3HA GLY 62 -28.101 15.997 -20.273 538 H GLY 63 H GLY 63 -27.790 16.231 -16.810 539 HA2 GLY 63 2HA GLY 63 -29.160 15.468 -15.099 540 HA3 GLY 63 3HA GLY 63 -30.429 15.187 -16.282 541 H ALA 64 H ALA 64 -29.598 13.464 -14.105 542 HA ALA 64 HA ALA 64 -27.965 11.352 -14.800 543 HB1 ALA 64 1HB ALA 64 -29.513 11.911 -12.666 544 HB2 ALA 64 2HB ALA 64 -30.439 10.597 -13.393 545 HB3 ALA 64 3HB ALA 64 -28.752 10.344 -12.945 546 H ASP 65 H ASP 65 -31.233 12.045 -15.842 547 HA ASP 65 HA ASP 65 -31.883 9.526 -16.909 548 HB2 ASP 65 2HB ASP 65 -32.828 12.318 -17.533 549 HB3 ASP 65 3HB ASP 65 -33.453 10.913 -18.393 550 H GLN 66 H GLN 66 -30.140 12.275 -18.247 551 HA GLN 66 HA GLN 66 -30.024 11.310 -20.912 552 HB2 GLN 66 2HB GLN 66 -29.663 13.647 -20.502 553 HB3 GLN 66 3HB GLN 66 -28.325 13.305 -19.413 554 HG2 GLN 66 2HG GLN 66 -26.854 12.974 -21.095 555 HG3 GLN 66 3HG GLN 66 -28.071 12.294 -22.175 556 HE21 GLN 66 1HE2 GLN 66 -26.074 14.243 -22.815 557 HE22 GLN 66 2HE2 GLN 66 -26.902 15.673 -23.320 558 H VAL 67 H VAL 67 -27.939 10.946 -18.098 559 HA VAL 67 HA VAL 67 -25.768 9.721 -19.441 560 HB VAL 67 HB VAL 67 -26.541 9.321 -16.551 561 HG11 VAL 67 1HG1 VAL 67 -23.755 9.412 -17.631 562 HG12 VAL 67 2HG1 VAL 67 -24.366 8.632 -16.171 563 HG13 VAL 67 3HG1 VAL 67 -24.703 7.930 -17.754 564 HG21 VAL 67 3HG2 VAL 67 -25.215 11.619 -17.934 565 HG22 VAL 67 1HG2 VAL 67 -26.474 11.632 -16.699 566 HG23 VAL 67 2HG2 VAL 67 -24.813 11.232 -16.262 567 H THR 68 H THR 68 -28.685 8.465 -17.916 568 HA THR 68 HA THR 68 -27.898 5.712 -18.293 569 HB THR 68 HB THR 68 -29.284 6.317 -16.364 570 HG1 THR 68 HG1 THR 68 -30.249 4.432 -16.519 571 HG21 THR 68 3HG2 THR 68 -31.597 6.992 -16.626 572 HG22 THR 68 1HG2 THR 68 -31.445 6.939 -18.381 573 HG23 THR 68 2HG2 THR 68 -30.550 8.144 -17.455 574 H ARG 69 H ARG 69 -29.779 8.109 -19.976 575 HA ARG 69 HA ARG 69 -31.377 6.524 -21.599 576 HB2 ARG 69 2HB ARG 69 -30.469 9.262 -21.561 577 HB3 ARG 69 3HB ARG 69 -30.496 8.654 -23.210 578 HG2 ARG 69 2HG ARG 69 -32.852 8.240 -21.422 579 HG3 ARG 69 3HG ARG 69 -32.602 9.789 -22.229 580 HD2 ARG 69 2HD ARG 69 -32.718 8.794 -24.374 581 HD3 ARG 69 3HD ARG 69 -32.596 7.168 -23.703 582 HE ARG 69 HE ARG 69 -34.968 8.721 -24.008 583 HH11 ARG 69 1HH1 ARG 69 -33.435 6.308 -22.021 584 HH12 ARG 69 2HH1 ARG 69 -34.929 5.630 -21.463 585 HH21 ARG 69 1HH2 ARG 69 -36.941 7.838 -23.280 586 HH22 ARG 69 2HH2 ARG 69 -36.923 6.501 -22.180 587 H THR 70 H THR 70 -28.015 7.536 -22.063 588 HA THR 70 HA THR 70 -27.836 5.873 -24.466 589 HB THR 70 HB THR 70 -25.581 6.898 -24.741 590 HG1 THR 70 HG1 THR 70 -24.830 8.306 -23.287 591 HG21 THR 70 3HG2 THR 70 -26.657 9.365 -24.856 592 HG22 THR 70 1HG2 THR 70 -28.126 8.399 -24.732 593 HG23 THR 70 2HG2 THR 70 -26.986 8.106 -26.046 594 H GLN 71 H GLN 71 -27.557 5.394 -21.266 595 HA GLN 71 HA GLN 71 -26.580 3.808 -19.960 596 HB2 GLN 71 2HB GLN 71 -27.261 2.457 -22.088 597 HB3 GLN 71 3HB GLN 71 -25.532 2.427 -22.406 598 HG2 GLN 71 2HG GLN 71 -25.201 1.427 -20.153 599 HG3 GLN 71 3HG GLN 71 -26.954 1.326 -19.996 600 HE21 GLN 71 1HE2 GLN 71 -26.057 -0.984 -19.697 601 HE22 GLN 71 2HE2 GLN 71 -26.067 -1.967 -21.118 602 H GLN 72 H GLN 72 -25.114 6.046 -20.152 603 HA GLN 72 HA GLN 72 -22.348 5.127 -20.564 604 HB2 GLN 72 2HB GLN 72 -23.647 7.427 -21.490 605 HB3 GLN 72 3HB GLN 72 -22.609 7.983 -20.183 606 HG2 GLN 72 2HG GLN 72 -20.796 6.557 -21.389 607 HG3 GLN 72 3HG GLN 72 -21.873 6.712 -22.775 608 HE21 GLN 72 1HE2 GLN 72 -19.339 8.085 -21.138 609 HE22 GLN 72 2HE2 GLN 72 -19.407 9.675 -21.808 610 H TRP 73 H TRP 73 -24.465 5.291 -18.177 611 HA TRP 73 HA TRP 73 -23.327 6.835 -16.152 612 HB2 TRP 73 2HB TRP 73 -25.527 5.919 -15.857 613 HB3 TRP 73 3HB TRP 73 -24.922 4.272 -16.015 614 HD1 TRP 73 HD1 TRP 73 -24.194 7.259 -13.624 615 HE1 TRP 73 HE1 TRP 73 -24.011 6.320 -11.234 616 HE3 TRP 73 HE3 TRP 73 -24.930 2.303 -14.640 617 HZ2 TRP 73 HZ2 TRP 73 -24.159 3.811 -9.950 618 HZ3 TRP 73 HZ3 TRP 73 -24.893 0.699 -12.775 619 HH2 TRP 73 HH2 TRP 73 -24.515 1.439 -10.479 620 H SER 74 H SER 74 -22.572 3.580 -17.257 621 HA SER 74 HA SER 74 -20.861 2.855 -15.136 622 HB2 SER 74 2HB SER 74 -20.132 1.051 -16.540 623 HB3 SER 74 3HB SER 74 -21.850 1.294 -16.855 624 HG SER 74 HG SER 74 -20.581 1.065 -18.777 625 H MET 75 H MET 75 -20.260 4.449 -18.236 626 HA MET 75 HA MET 75 -17.428 4.553 -17.911 627 HB2 MET 75 2HB MET 75 -18.937 4.787 -20.062 628 HB3 MET 75 3HB MET 75 -18.892 6.496 -19.648 629 HG2 MET 75 2HG MET 75 -16.633 6.674 -20.045 630 HG3 MET 75 3HG MET 75 -16.348 4.953 -19.797 631 HE1 MET 75 3HE MET 75 -18.059 3.311 -21.429 632 HE2 MET 75 1HE MET 75 -17.459 3.321 -23.087 633 HE3 MET 75 2HE MET 75 -16.328 3.178 -21.742 634 H VAL 76 H VAL 76 -20.040 6.925 -17.492 635 HA VAL 76 HA VAL 76 -18.410 9.084 -16.721 636 HB VAL 76 HB VAL 76 -21.264 8.573 -15.874 637 HG11 VAL 76 1HG1 VAL 76 -19.413 10.862 -15.644 638 HG12 VAL 76 2HG1 VAL 76 -21.066 11.236 -16.138 639 HG13 VAL 76 3HG1 VAL 76 -20.768 10.388 -14.619 640 HG21 VAL 76 3HG2 VAL 76 -21.123 10.428 -17.997 641 HG22 VAL 76 1HG2 VAL 76 -20.165 9.024 -18.470 642 HG23 VAL 76 2HG2 VAL 76 -21.853 8.822 -18.001 643 H ALA 77 H ALA 77 -20.187 6.701 -14.767 644 HA ALA 77 HA ALA 77 -19.553 7.664 -12.243 645 HB1 ALA 77 1HB ALA 77 -19.794 5.216 -11.546 646 HB2 ALA 77 2HB ALA 77 -21.173 5.979 -12.339 647 HB3 ALA 77 3HB ALA 77 -20.121 4.895 -13.250 648 H GLN 78 H GLN 78 -17.677 5.613 -14.410 649 HA GLN 78 HA GLN 78 -15.656 4.899 -12.581 650 HB2 GLN 78 2HB GLN 78 -16.142 3.880 -14.870 651 HB3 GLN 78 3HB GLN 78 -15.254 5.238 -15.548 652 HG2 GLN 78 2HG GLN 78 -13.685 4.086 -13.478 653 HG3 GLN 78 3HG GLN 78 -14.248 2.798 -14.543 654 HE21 GLN 78 1HE2 GLN 78 -14.126 3.535 -16.959 655 HE22 GLN 78 2HE2 GLN 78 -12.600 4.195 -17.428 656 H ARG 79 H ARG 79 -16.147 7.722 -14.589 657 HA ARG 79 HA ARG 79 -13.579 8.813 -14.522 658 HB2 ARG 79 2HB ARG 79 -16.068 9.592 -15.486 659 HB3 ARG 79 3HB ARG 79 -15.666 10.830 -14.303 660 HG2 ARG 79 2HG ARG 79 -14.816 11.657 -16.302 661 HG3 ARG 79 3HG ARG 79 -13.405 10.967 -15.496 662 HD2 ARG 79 2HD ARG 79 -13.204 10.178 -17.670 663 HD3 ARG 79 3HD ARG 79 -13.972 8.832 -16.829 664 HE ARG 79 HE ARG 79 -15.861 9.155 -18.093 665 HH11 ARG 79 1HH1 ARG 79 -13.741 11.893 -18.448 666 HH12 ARG 79 2HH1 ARG 79 -14.653 12.596 -19.743 667 HH21 ARG 79 1HH2 ARG 79 -17.070 10.070 -19.797 668 HH22 ARG 79 2HH2 ARG 79 -16.546 11.559 -20.509 669 H LEU 80 H LEU 80 -16.258 9.121 -12.227 670 HA LEU 80 HA LEU 80 -14.546 10.659 -10.420 671 HB2 LEU 80 2HB LEU 80 -16.725 10.759 -9.070 672 HB3 LEU 80 3HB LEU 80 -16.616 11.688 -10.564 673 HG LEU 80 HG LEU 80 -17.808 8.975 -10.730 674 HD11 LEU 80 1HD1 LEU 80 -18.736 10.084 -8.650 675 HD12 LEU 80 2HD1 LEU 80 -19.910 9.607 -9.877 676 HD13 LEU 80 3HD1 LEU 80 -19.430 11.297 -9.726 677 HD21 LEU 80 3HD2 LEU 80 -18.824 11.535 -11.908 678 HD22 LEU 80 1HD2 LEU 80 -19.002 9.885 -12.504 679 HD23 LEU 80 2HD2 LEU 80 -17.440 10.697 -12.612 680 H GLN 81 H GLN 81 -15.272 7.492 -11.033 681 HA GLN 81 HA GLN 81 -14.915 5.547 -9.910 682 HB2 GLN 81 2HB GLN 81 -12.812 6.766 -9.251 683 HB3 GLN 81 3HB GLN 81 -13.629 7.244 -7.769 684 HG2 GLN 81 2HG GLN 81 -12.821 5.386 -6.873 685 HG3 GLN 81 3HG GLN 81 -14.000 4.515 -7.853 686 HE21 GLN 81 1HE2 GLN 81 -11.259 3.833 -6.910 687 HE22 GLN 81 2HE2 GLN 81 -10.397 3.382 -8.337 688 H ILE 82 H ILE 82 -17.417 6.507 -9.657 689 HA ILE 82 HA ILE 82 -18.117 6.370 -6.816 690 HB ILE 82 HB ILE 82 -19.109 8.207 -8.092 691 HG12 ILE 82 2HG1 ILE 82 -21.422 6.386 -7.606 692 HG13 ILE 82 3HG1 ILE 82 -20.344 6.731 -6.258 693 HG21 ILE 82 1HG2 ILE 82 -20.449 6.052 -9.721 694 HG22 ILE 82 2HG2 ILE 82 -20.731 7.787 -9.858 695 HG23 ILE 82 3HG2 ILE 82 -19.158 7.113 -10.283 696 HD11 ILE 82 3HD1 ILE 82 -22.033 8.643 -7.830 697 HD12 ILE 82 1HD1 ILE 82 -22.077 8.296 -6.102 698 HD13 ILE 82 2HD1 ILE 82 -20.716 9.182 -6.789 699 H SER 83 H SER 83 -18.557 4.688 -9.865 700 HA SER 83 HA SER 83 -19.678 2.415 -8.374 701 HB2 SER 83 2HB SER 83 -21.502 3.574 -9.590 702 HB3 SER 83 3HB SER 83 -20.623 3.336 -11.100 703 HG SER 83 HG SER 83 -21.048 1.222 -11.040 704 H ASP 84 H ASP 84 -17.363 1.822 -8.455 705 HA ASP 84 HA ASP 84 -16.384 0.960 -11.063 706 HB2 ASP 84 2HB ASP 84 -15.173 1.350 -8.365 707 HB3 ASP 84 3HB ASP 84 -14.415 0.188 -9.451 708 H TYR 85 H TYR 85 -18.463 -0.522 -10.779 709 HA TYR 85 HA TYR 85 -19.189 -2.681 -10.803 710 HB2 TYR 85 2HB TYR 85 -16.430 -3.576 -9.994 711 HB3 TYR 85 3HB TYR 85 -17.635 -4.457 -10.926 712 HD1 TYR 85 HD1 TYR 85 -18.424 -2.609 -13.000 713 HD2 TYR 85 HD2 TYR 85 -14.567 -3.276 -11.332 714 HE1 TYR 85 HE1 TYR 85 -17.392 -1.819 -15.088 715 HE2 TYR 85 HE2 TYR 85 -13.524 -2.487 -13.415 716 HH TYR 85 HH TYR 85 -14.745 -2.394 -16.163 717 H GLN 86 H GLN 86 -17.709 -4.673 -8.953 718 HA GLN 86 HA GLN 86 -19.503 -4.716 -6.863 719 HB2 GLN 86 2HB GLN 86 -18.002 -6.247 -5.748 720 HB3 GLN 86 3HB GLN 86 -17.984 -6.576 -7.475 721 HG2 GLN 86 2HG GLN 86 -15.887 -5.313 -7.675 722 HG3 GLN 86 3HG GLN 86 -15.898 -5.051 -5.931 723 HE21 GLN 86 1HE2 GLN 86 -16.094 -7.116 -4.631 724 HE22 GLN 86 2HE2 GLN 86 -15.128 -8.449 -5.155 725 H GLN 87 H GLN 87 -16.497 -2.936 -7.145 726 HA GLN 87 HA GLN 87 -16.103 -2.209 -4.488 727 HB2 GLN 87 2HB GLN 87 -15.540 -0.568 -6.964 728 HB3 GLN 87 3HB GLN 87 -14.849 -0.286 -5.372 729 HG2 GLN 87 2HG GLN 87 -14.371 -2.993 -6.116 730 HG3 GLN 87 3HG GLN 87 -13.876 -1.936 -7.437 731 HE21 GLN 87 1HE2 GLN 87 -12.245 -0.414 -7.082 732 HE22 GLN 87 2HE2 GLN 87 -11.155 -0.542 -5.748 733 H LEU 88 H LEU 88 -18.471 -1.140 -6.769 734 HA LEU 88 HA LEU 88 -19.159 1.361 -5.812 735 HB2 LEU 88 2HB LEU 88 -20.179 0.580 -7.794 736 HB3 LEU 88 3HB LEU 88 -20.826 -0.846 -6.986 737 HG LEU 88 HG LEU 88 -22.428 0.527 -5.786 738 HD11 LEU 88 1HD1 LEU 88 -20.983 2.542 -5.626 739 HD12 LEU 88 2HD1 LEU 88 -22.635 2.889 -6.137 740 HD13 LEU 88 3HD1 LEU 88 -21.330 2.875 -7.323 741 HD21 LEU 88 3HD2 LEU 88 -23.729 0.161 -7.545 742 HD22 LEU 88 1HD2 LEU 88 -22.337 0.188 -8.627 743 HD23 LEU 88 2HD2 LEU 88 -23.179 1.688 -8.236 744 H GLU 89 H GLU 89 -19.783 -1.784 -4.444 745 HA GLU 89 HA GLU 89 -21.805 -0.998 -2.616 746 HB2 GLU 89 2HB GLU 89 -21.011 -3.379 -3.400 747 HB3 GLU 89 3HB GLU 89 -19.928 -3.250 -2.021 748 HG2 GLU 89 2HG GLU 89 -21.852 -2.893 -0.551 749 HG3 GLU 89 3HG GLU 89 -22.930 -3.050 -1.937 750 H SER 90 H SER 90 -18.287 -1.188 -2.417 751 HA SER 90 HA SER 90 -18.121 -0.597 0.358 752 HB2 SER 90 2HB SER 90 -15.759 0.260 -1.018 753 HB3 SER 90 3HB SER 90 -15.984 -1.160 0.003 754 HG SER 90 HG SER 90 -16.307 -2.378 -1.725 755 H ILE 91 H ILE 91 -17.870 1.374 -2.575 756 HA ILE 91 HA ILE 91 -17.270 3.804 -1.254 757 HB ILE 91 HB ILE 91 -18.589 3.418 -3.944 758 HG12 ILE 91 2HG1 ILE 91 -15.791 4.172 -3.973 759 HG13 ILE 91 3HG1 ILE 91 -16.027 2.657 -3.108 760 HG21 ILE 91 1HG2 ILE 91 -17.117 5.709 -4.086 761 HG22 ILE 91 2HG2 ILE 91 -18.853 5.637 -3.788 762 HG23 ILE 91 3HG2 ILE 91 -17.731 5.773 -2.434 763 HD11 ILE 91 3HD1 ILE 91 -16.155 1.591 -5.034 764 HD12 ILE 91 1HD1 ILE 91 -17.569 2.547 -5.476 765 HD13 ILE 91 2HD1 ILE 91 -15.954 3.114 -5.900 766 H TYR 92 H TYR 92 -20.303 2.337 -2.338 767 HA TYR 92 HA TYR 92 -21.967 4.527 -1.692 768 HB2 TYR 92 2HB TYR 92 -22.504 2.493 -3.160 769 HB3 TYR 92 3HB TYR 92 -22.852 1.647 -1.656 770 HD1 TYR 92 HD2 TYR 92 -23.733 4.837 -3.397 771 HD2 TYR 92 HD1 TYR 92 -25.030 1.651 -0.893 772 HE1 TYR 92 HE2 TYR 92 -26.013 5.760 -3.413 773 HE2 TYR 92 HE1 TYR 92 -27.314 2.565 -0.903 774 HH TYR 92 HH TYR 92 -28.511 4.497 -2.990 775 H PHE 93 H PHE 93 -20.985 1.650 0.118 776 HA PHE 93 HA PHE 93 -22.626 2.101 2.369 777 HB2 PHE 93 2HB PHE 93 -21.342 -0.031 1.700 778 HB3 PHE 93 3HB PHE 93 -19.957 0.715 2.491 779 HD1 PHE 93 HD1 PHE 93 -20.404 1.575 4.929 780 HD2 PHE 93 HD2 PHE 93 -22.736 -1.375 2.936 781 HE1 PHE 93 HE1 PHE 93 -21.191 0.734 7.103 782 HE2 PHE 93 HE2 PHE 93 -23.528 -2.220 5.107 783 HZ PHE 93 HZ PHE 93 -22.756 -1.165 7.194 784 H ARG 94 H ARG 94 -19.207 2.873 1.762 785 HA ARG 94 HA ARG 94 -18.728 4.120 4.240 786 HB2 ARG 94 2HB ARG 94 -17.364 3.974 1.618 787 HB3 ARG 94 3HB ARG 94 -16.948 5.354 2.625 788 HG2 ARG 94 2HG ARG 94 -15.402 3.518 2.977 789 HG3 ARG 94 3HG ARG 94 -16.328 3.850 4.443 790 HD2 ARG 94 2HD ARG 94 -17.198 1.798 4.458 791 HD3 ARG 94 3HD ARG 94 -17.652 1.906 2.758 792 HE ARG 94 HE ARG 94 -14.872 1.473 2.993 793 HH11 ARG 94 1HH1 ARG 94 -17.926 -0.156 3.369 794 HH12 ARG 94 2HH1 ARG 94 -17.280 -1.725 3.018 795 HH21 ARG 94 1HH2 ARG 94 -14.010 -0.588 2.530 796 HH22 ARG 94 2HH2 ARG 94 -15.052 -1.970 2.542 797 H ILE 95 H ILE 95 -20.097 5.280 1.242 798 HA ILE 95 HA ILE 95 -19.972 8.058 1.995 799 HB ILE 95 HB ILE 95 -21.301 6.607 -0.282 800 HG12 ILE 95 2HG1 ILE 95 -19.161 8.738 -0.303 801 HG13 ILE 95 3HG1 ILE 95 -18.804 7.016 -0.248 802 HG21 ILE 95 1HG2 ILE 95 -21.586 9.462 0.572 803 HG22 ILE 95 2HG2 ILE 95 -21.707 9.011 -1.128 804 HG23 ILE 95 3HG2 ILE 95 -22.828 8.326 0.048 805 HD11 ILE 95 3HD1 ILE 95 -20.203 8.516 -2.444 806 HD12 ILE 95 1HD1 ILE 95 -18.610 7.762 -2.502 807 HD13 ILE 95 2HD1 ILE 95 -20.057 6.760 -2.379 808 H LEU 96 H LEU 96 -22.203 5.432 2.357 809 HA LEU 96 HA LEU 96 -24.424 7.173 3.044 810 HB2 LEU 96 2HB LEU 96 -24.041 4.314 2.487 811 HB3 LEU 96 3HB LEU 96 -25.241 4.674 3.727 812 HG LEU 96 HG LEU 96 -26.148 4.384 1.410 813 HD11 LEU 96 1HD1 LEU 96 -27.180 6.928 1.662 814 HD12 LEU 96 2HD1 LEU 96 -26.662 6.528 3.299 815 HD13 LEU 96 3HD1 LEU 96 -27.790 5.472 2.448 816 HD21 LEU 96 3HD2 LEU 96 -24.060 6.011 0.677 817 HD22 LEU 96 1HD2 LEU 96 -25.448 7.097 0.613 818 HD23 LEU 96 2HD2 LEU 96 -25.452 5.604 -0.326 819 H LEU 97 H LEU 97 -21.772 5.796 4.602 820 HA LEU 97 HA LEU 97 -22.515 4.950 7.053 821 HB2 LEU 97 2HB LEU 97 -20.190 6.055 5.920 822 HB3 LEU 97 3HB LEU 97 -20.462 6.917 7.433 823 HG LEU 97 HG LEU 97 -20.774 4.139 7.941 824 HD11 LEU 97 1HD1 LEU 97 -19.509 3.486 6.094 825 HD12 LEU 97 2HD1 LEU 97 -18.341 3.538 7.413 826 HD13 LEU 97 3HD1 LEU 97 -18.409 4.857 6.244 827 HD21 LEU 97 3HD2 LEU 97 -19.219 4.545 9.625 828 HD22 LEU 97 1HD2 LEU 97 -19.986 6.115 9.387 829 HD23 LEU 97 2HD2 LEU 97 -18.394 5.798 8.696 830 HA PRO 98 HA PRO 98 -24.794 8.094 9.110 831 HB2 PRO 98 2HB PRO 98 -24.184 7.519 11.692 832 HB3 PRO 98 3HB PRO 98 -25.262 6.517 10.714 833 HG2 PRO 98 2HG PRO 98 -22.365 6.118 11.353 834 HG3 PRO 98 3HG PRO 98 -23.680 4.928 11.331 835 HD2 PRO 98 2HD PRO 98 -21.913 5.185 9.295 836 HD3 PRO 98 3HD PRO 98 -23.601 4.697 9.039 837 H TYR 99 H TYR 99 -21.410 7.673 10.072 838 HA TYR 99 HA TYR 99 -21.183 10.216 11.334 839 HB2 TYR 99 2HB TYR 99 -19.125 8.250 10.327 840 HB3 TYR 99 3HB TYR 99 -18.699 9.750 11.143 841 HD1 TYR 99 HD1 TYR 99 -20.226 6.434 11.552 842 HD2 TYR 99 HD2 TYR 99 -19.018 10.008 13.519 843 HE1 TYR 99 HE1 TYR 99 -20.468 5.311 13.727 844 HE2 TYR 99 HE2 TYR 99 -19.255 8.894 15.699 845 HH TYR 99 HH TYR 99 -20.399 7.021 16.694 846 H GLU 100 H GLU 100 -20.311 8.970 8.132 847 HA GLU 100 HA GLU 100 -19.117 11.353 7.191 848 HB2 GLU 100 2HB GLU 100 -18.671 9.253 6.087 849 HB3 GLU 100 3HB GLU 100 -20.375 9.041 5.709 850 HG2 GLU 100 2HG GLU 100 -18.786 9.845 3.861 851 HG3 GLU 100 3HG GLU 100 -20.344 10.648 4.048 852 H ARG 101 H ARG 101 -22.377 10.004 6.727 853 HA ARG 101 HA ARG 101 -23.372 12.135 5.181 854 HB2 ARG 101 2HB ARG 101 -25.556 11.214 5.590 855 HB3 ARG 101 3HB ARG 101 -24.426 9.885 5.369 856 HG2 ARG 101 2HG ARG 101 -25.548 9.114 7.182 857 HG3 ARG 101 3HG ARG 101 -24.293 10.041 8.006 858 HD2 ARG 101 2HD ARG 101 -25.895 11.202 9.016 859 HD3 ARG 101 3HD ARG 101 -26.344 11.863 7.445 860 HE ARG 101 HE ARG 101 -27.570 9.384 7.666 861 HH11 ARG 101 1HH1 ARG 101 -27.659 12.471 9.272 862 HH12 ARG 101 2HH1 ARG 101 -29.317 12.320 9.751 863 HH21 ARG 101 1HH2 ARG 101 -29.753 9.174 8.291 864 HH22 ARG 101 2HH2 ARG 101 -30.507 10.444 9.193 865 H HIS 102 H HIS 102 -23.206 11.602 8.651 866 HA HIS 102 HA HIS 102 -24.892 13.745 9.412 867 HB2 HIS 102 2HB HIS 102 -24.397 11.973 10.983 868 HB3 HIS 102 3HB HIS 102 -22.675 12.336 10.910 869 HD1 HIS 102 HD1 HIS 102 -25.859 13.447 12.478 870 HD2 HIS 102 HD2 HIS 102 -21.875 14.620 12.364 871 HE1 HIS 102 HE1 HIS 102 -25.598 15.123 14.334 872 H MET 103 H MET 103 -21.390 13.481 8.961 873 HA MET 103 HA MET 103 -20.677 16.021 9.881 874 HB2 MET 103 2HB MET 103 -19.430 14.147 7.886 875 HB3 MET 103 3HB MET 103 -18.711 15.713 8.239 876 HG2 MET 103 2HG MET 103 -19.343 13.737 10.402 877 HG3 MET 103 3HG MET 103 -17.828 13.692 9.503 878 HE1 MET 103 3HE MET 103 -19.811 15.592 12.418 879 HE2 MET 103 1HE MET 103 -18.828 14.139 12.609 880 HE3 MET 103 2HE MET 103 -18.281 15.670 13.293 881 H ILE 104 H ILE 104 -21.607 14.932 6.637 882 HA ILE 104 HA ILE 104 -21.330 17.556 5.496 883 HB ILE 104 HB ILE 104 -22.217 16.602 3.462 884 HG12 ILE 104 2HG1 ILE 104 -22.813 14.142 5.121 885 HG13 ILE 104 3HG1 ILE 104 -24.010 15.248 4.457 886 HG21 ILE 104 1HG2 ILE 104 -20.336 14.692 4.842 887 HG22 ILE 104 2HG2 ILE 104 -20.598 14.796 3.102 888 HG23 ILE 104 3HG2 ILE 104 -19.882 16.155 3.969 889 HD11 ILE 104 3HD1 ILE 104 -22.564 14.517 2.246 890 HD12 ILE 104 1HD1 ILE 104 -22.610 13.036 3.202 891 HD13 ILE 104 2HD1 ILE 104 -24.113 13.838 2.744 892 H SER 105 H SER 105 -23.838 15.748 7.047 893 HA SER 105 HA SER 105 -26.124 16.946 6.011 894 HB2 SER 105 2HB SER 105 -26.266 15.021 7.485 895 HB3 SER 105 3HB SER 105 -25.590 15.953 8.821 896 HG SER 105 HG SER 105 -28.154 15.914 7.807 897 H GLN 106 H GLN 106 -23.898 18.065 8.496 898 HA GLN 106 HA GLN 106 -25.365 20.176 9.547 899 HB2 GLN 106 2HB GLN 106 -22.546 19.397 9.437 900 HB3 GLN 106 3HB GLN 106 -22.783 21.136 9.541 901 HG2 GLN 106 2HG GLN 106 -24.445 19.614 11.394 902 HG3 GLN 106 3HG GLN 106 -22.713 19.409 11.652 903 HE21 GLN 106 1HE2 GLN 106 -25.179 21.035 12.795 904 HE22 GLN 106 2HE2 GLN 106 -24.444 22.547 13.193 905 H GLU 107 H GLU 107 -23.401 20.020 6.622 906 HA GLU 107 HA GLU 107 -24.284 22.747 5.947 907 HB2 GLU 107 2HB GLU 107 -21.720 21.749 6.004 908 HB3 GLU 107 3HB GLU 107 -22.144 21.607 4.304 909 HG2 GLU 107 2HG GLU 107 -23.006 24.148 5.070 910 HG3 GLU 107 3HG GLU 107 -21.427 23.936 5.825 911 H GLY 108 H GLY 108 -25.715 20.146 5.574 912 HA2 GLY 108 2HA GLY 108 -26.792 20.663 3.016 913 HA3 GLY 108 3HA GLY 108 -25.677 19.309 2.908 914 H ILE 109 H ILE 109 -28.076 20.313 5.345 915 HA ILE 109 HA ILE 109 -28.853 17.741 6.067 916 HB ILE 109 HB ILE 109 -30.995 18.839 6.856 917 HG12 ILE 109 2HG1 ILE 109 -29.702 21.474 6.315 918 HG13 ILE 109 3HG1 ILE 109 -30.584 20.698 5.003 919 HG21 ILE 109 1HG2 ILE 109 -28.762 18.617 8.110 920 HG22 ILE 109 2HG2 ILE 109 -28.583 20.344 7.803 921 HG23 ILE 109 3HG2 ILE 109 -29.959 19.752 8.733 922 HD11 ILE 109 3HD1 ILE 109 -31.935 22.311 6.285 923 HD12 ILE 109 1HD1 ILE 109 -32.598 20.677 6.306 924 HD13 ILE 109 2HD1 ILE 109 -31.737 21.298 7.715 925 H LYS 110 H LYS 110 -29.712 19.634 3.308 926 HA LYS 110 HA LYS 110 -32.166 18.516 2.604 927 HB2 LYS 110 2HB LYS 110 -30.134 20.127 1.340 928 HB3 LYS 110 3HB LYS 110 -30.761 18.939 0.205 929 HG2 LYS 110 2HG LYS 110 -31.973 21.061 0.093 930 HG3 LYS 110 3HG LYS 110 -33.019 19.724 0.578 931 HD2 LYS 110 2HD LYS 110 -33.235 20.498 2.732 932 HD3 LYS 110 3HD LYS 110 -31.691 21.354 2.693 933 HE2 LYS 110 2HE LYS 110 -34.028 22.209 1.011 934 HE3 LYS 110 3HE LYS 110 -33.831 22.756 2.674 935 HZ1 LYS 110 3HZ LYS 110 -32.805 24.408 1.459 936 HZ2 LYS 110 1HZ LYS 110 -32.151 23.336 0.325 937 HZ3 LYS 110 2HZ LYS 110 -31.491 23.428 1.879 938 H GLU 111 H GLU 111 -28.965 17.201 2.453 939 HA GLU 111 HA GLU 111 -29.564 15.128 0.570 940 HB2 GLU 111 2HB GLU 111 -27.257 16.145 1.248 941 HB3 GLU 111 3HB GLU 111 -27.319 14.965 2.550 942 HG2 GLU 111 2HG GLU 111 -26.150 13.827 0.941 943 HG3 GLU 111 3HG GLU 111 -27.796 13.271 0.645 944 H THR 112 H THR 112 -29.904 15.543 3.985 945 HA THR 112 HA THR 112 -29.991 12.813 4.739 946 HB THR 112 HB THR 112 -31.416 15.081 6.134 947 HG1 THR 112 HG1 THR 112 -28.685 14.363 6.047 948 HG21 THR 112 3HG2 THR 112 -30.585 12.313 6.867 949 HG22 THR 112 1HG2 THR 112 -32.068 13.183 7.256 950 HG23 THR 112 2HG2 THR 112 -30.574 13.559 8.114 951 H GLN 113 H GLN 113 -32.568 15.169 4.043 952 HA GLN 113 HA GLN 113 -34.729 13.432 4.434 953 HB2 GLN 113 2HB GLN 113 -34.715 15.992 4.137 954 HB3 GLN 113 3HB GLN 113 -34.750 15.658 2.411 955 HG2 GLN 113 2HG GLN 113 -36.849 14.536 2.601 956 HG3 GLN 113 3HG GLN 113 -36.787 14.615 4.361 957 HE21 GLN 113 1HE2 GLN 113 -38.863 15.633 4.221 958 HE22 GLN 113 2HE2 GLN 113 -38.977 17.321 3.870 959 H ALA 114 H ALA 114 -32.469 13.687 1.853 960 HA ALA 114 HA ALA 114 -34.036 12.554 -0.220 961 HB1 ALA 114 1HB ALA 114 -32.081 12.476 -1.480 962 HB2 ALA 114 2HB ALA 114 -31.807 13.829 -0.383 963 HB3 ALA 114 3HB ALA 114 -31.058 12.265 -0.059 964 H LYS 115 H LYS 115 -32.305 11.213 2.467 965 HA LYS 115 HA LYS 115 -32.022 9.089 3.232 966 HB2 LYS 115 2HB LYS 115 -34.408 8.575 1.447 967 HB3 LYS 115 3HB LYS 115 -33.799 7.454 2.657 968 HG2 LYS 115 2HG LYS 115 -34.163 9.861 4.016 969 HG3 LYS 115 3HG LYS 115 -35.570 9.699 2.963 970 HD2 LYS 115 2HD LYS 115 -35.271 7.162 3.980 971 HD3 LYS 115 3HD LYS 115 -34.827 8.188 5.347 972 HE2 LYS 115 2HE LYS 115 -37.394 8.245 3.768 973 HE3 LYS 115 3HE LYS 115 -37.183 7.762 5.451 974 HZ1 LYS 115 3HZ LYS 115 -36.513 10.040 5.964 975 HZ2 LYS 115 1HZ LYS 115 -38.074 9.987 5.312 976 HZ3 LYS 115 2HZ LYS 115 -36.774 10.492 4.355 977 H ARG 116 H ARG 116 -32.030 6.627 2.294 978 HA ARG 116 HA ARG 116 -29.853 6.594 0.455 979 HB2 ARG 116 2HB ARG 116 -29.909 4.190 0.703 980 HB3 ARG 116 3HB ARG 116 -30.131 4.938 2.278 981 HG2 ARG 116 2HG ARG 116 -32.434 4.423 2.309 982 HG3 ARG 116 3HG ARG 116 -32.431 3.989 0.598 983 HD2 ARG 116 2HD ARG 116 -30.852 2.129 1.169 984 HD3 ARG 116 3HD ARG 116 -31.121 2.507 2.870 985 HE ARG 116 HE ARG 116 -33.100 1.388 2.740 986 HH11 ARG 116 1HH1 ARG 116 -32.147 2.326 -0.475 987 HH12 ARG 116 2HH1 ARG 116 -33.455 1.491 -1.246 988 HH21 ARG 116 1HH2 ARG 116 -34.826 0.285 1.735 989 HH22 ARG 116 2HH2 ARG 116 -34.978 0.331 0.012 Start of MODEL 4 1 H1 GLN 1 H GLN 1 6.304 1.762 -7.141 2 HA GLN 1 HA GLN 1 4.649 1.291 -4.839 3 HB2 GLN 1 2HB GLN 1 7.530 2.091 -4.394 4 HB3 GLN 1 3HB GLN 1 6.291 1.922 -3.157 5 HG2 GLN 1 2HG GLN 1 6.524 -0.498 -4.692 6 HG3 GLN 1 3HG GLN 1 8.089 -0.015 -4.040 7 HE21 GLN 1 1HE2 GLN 1 5.650 -1.967 -3.434 8 HE22 GLN 1 2HE2 GLN 1 5.616 -1.943 -1.707 9 H SER 2 H SER 2 3.361 2.999 -4.869 10 HA SER 2 HA SER 2 4.511 5.670 -4.978 11 HB2 SER 2 2HB SER 2 3.311 6.437 -6.840 12 HB3 SER 2 3HB SER 2 3.863 4.842 -7.350 13 HG SER 2 HG SER 2 1.778 4.704 -7.803 14 H LEU 3 H LEU 3 2.171 7.120 -5.221 15 HA LEU 3 HA LEU 3 0.560 6.187 -2.939 16 HB2 LEU 3 2HB LEU 3 1.415 9.017 -3.529 17 HB3 LEU 3 3HB LEU 3 0.353 8.518 -2.214 18 HG LEU 3 HG LEU 3 3.110 7.383 -2.369 19 HD11 LEU 3 1HD1 LEU 3 3.232 9.595 -0.661 20 HD12 LEU 3 2HD1 LEU 3 2.522 10.187 -2.162 21 HD13 LEU 3 3HD1 LEU 3 4.083 9.367 -2.189 22 HD21 LEU 3 3HD2 LEU 3 2.807 7.568 0.132 23 HD22 LEU 3 1HD2 LEU 3 1.731 6.442 -0.695 24 HD23 LEU 3 2HD2 LEU 3 1.134 8.024 -0.192 25 H ASN 4 H ASN 4 0.454 8.863 -5.296 26 HA ASN 4 HA ASN 4 -2.362 8.180 -5.802 27 HB2 ASN 4 2HB ASN 4 -2.295 10.589 -6.839 28 HB3 ASN 4 3HB ASN 4 -2.400 10.386 -5.092 29 HD21 ASN 4 1HD2 ASN 4 -1.200 11.816 -4.093 30 HD22 ASN 4 2HD2 ASN 4 0.369 12.354 -4.577 31 HA PRO 5 HA PRO 5 -1.586 7.112 -9.986 32 HB2 PRO 5 2HB PRO 5 -3.756 8.142 -11.251 33 HB3 PRO 5 3HB PRO 5 -3.841 6.724 -10.200 34 HG2 PRO 5 2HG PRO 5 -4.522 9.575 -9.592 35 HG3 PRO 5 3HG PRO 5 -5.399 8.097 -9.154 36 HD2 PRO 5 2HD PRO 5 -3.796 9.412 -7.412 37 HD3 PRO 5 3HD PRO 5 -4.006 7.649 -7.373 38 H ALA 6 H ALA 6 -2.271 10.486 -9.295 39 HA ALA 6 HA ALA 6 -1.583 12.435 -10.252 40 HB1 ALA 6 1HB ALA 6 0.611 11.494 -9.674 41 HB2 ALA 6 2HB ALA 6 0.692 10.733 -11.264 42 HB3 ALA 6 3HB ALA 6 0.678 12.491 -11.128 43 H LEU 7 H LEU 7 -3.296 10.543 -11.807 44 HA LEU 7 HA LEU 7 -2.592 11.346 -14.544 45 HB2 LEU 7 2HB LEU 7 -3.270 8.899 -13.614 46 HB3 LEU 7 3HB LEU 7 -4.850 9.505 -14.109 47 HG LEU 7 HG LEU 7 -3.684 10.019 -16.362 48 HD11 LEU 7 1HD1 LEU 7 -1.412 9.472 -15.284 49 HD12 LEU 7 2HD1 LEU 7 -1.744 8.863 -16.906 50 HD13 LEU 7 3HD1 LEU 7 -1.876 7.786 -15.516 51 HD21 LEU 7 3HD2 LEU 7 -3.999 7.580 -17.033 52 HD22 LEU 7 1HD2 LEU 7 -5.385 8.403 -16.317 53 HD23 LEU 7 2HD2 LEU 7 -4.422 7.290 -15.345 54 H GLN 8 H GLN 8 -5.174 11.427 -12.147 55 HA GLN 8 HA GLN 8 -6.313 13.747 -13.458 56 HB2 GLN 8 2HB GLN 8 -7.755 11.121 -13.233 57 HB3 GLN 8 3HB GLN 8 -8.645 12.637 -13.246 58 HG2 GLN 8 2HG GLN 8 -7.483 13.176 -15.408 59 HG3 GLN 8 3HG GLN 8 -6.886 11.517 -15.407 60 HE21 GLN 8 1HE2 GLN 8 -8.732 12.976 -17.217 61 HE22 GLN 8 2HE2 GLN 8 -10.159 12.005 -17.283 62 H GLU 9 H GLU 9 -4.982 13.622 -11.061 63 HA GLU 9 HA GLU 9 -7.111 13.755 -9.034 64 HB2 GLU 9 2HB GLU 9 -5.291 13.594 -7.370 65 HB3 GLU 9 3HB GLU 9 -5.339 12.208 -8.450 66 HG2 GLU 9 2HG GLU 9 -3.450 12.975 -9.660 67 HG3 GLU 9 3HG GLU 9 -3.496 14.545 -8.859 68 H LYS 10 H LYS 10 -6.681 15.843 -10.956 69 HA LYS 10 HA LYS 10 -5.132 17.973 -10.126 70 HB2 LYS 10 2HB LYS 10 -7.739 17.792 -11.594 71 HB3 LYS 10 3HB LYS 10 -7.094 19.368 -11.154 72 HG2 LYS 10 2HG LYS 10 -6.341 19.008 -13.330 73 HG3 LYS 10 3HG LYS 10 -4.948 18.625 -12.315 74 HD2 LYS 10 2HD LYS 10 -5.000 16.426 -12.847 75 HD3 LYS 10 3HD LYS 10 -6.762 16.378 -12.929 76 HE2 LYS 10 2HE LYS 10 -6.772 16.731 -15.138 77 HE3 LYS 10 3HE LYS 10 -5.565 18.011 -15.024 78 HZ1 LYS 10 3HZ LYS 10 -5.200 15.145 -15.477 79 HZ2 LYS 10 1HZ LYS 10 -4.004 15.957 -14.597 80 HZ3 LYS 10 2HZ LYS 10 -4.387 16.460 -16.165 81 H ILE 11 H ILE 11 -6.009 20.088 -9.226 82 HA ILE 11 HA ILE 11 -8.075 19.768 -7.202 83 HB ILE 11 HB ILE 11 -5.930 19.072 -6.116 84 HG12 ILE 11 2HG1 ILE 11 -6.236 20.511 -4.118 85 HG13 ILE 11 3HG1 ILE 11 -7.233 21.599 -5.077 86 HG21 ILE 11 1HG2 ILE 11 -5.067 21.918 -6.065 87 HG22 ILE 11 2HG2 ILE 11 -4.112 20.444 -5.912 88 HG23 ILE 11 3HG2 ILE 11 -4.701 20.952 -7.494 89 HD11 ILE 11 3HD1 ILE 11 -8.043 19.354 -3.612 90 HD12 ILE 11 1HD1 ILE 11 -9.022 20.371 -4.669 91 HD13 ILE 11 2HD1 ILE 11 -8.230 18.932 -5.313 92 H SER 12 H SER 12 -8.978 21.707 -6.507 93 HA SER 12 HA SER 12 -9.615 23.888 -6.629 94 HB2 SER 12 2HB SER 12 -7.972 25.452 -6.398 95 HB3 SER 12 3HB SER 12 -6.951 24.026 -6.212 96 HG SER 12 HG SER 12 -6.032 24.457 -8.055 97 H THR 13 H THR 13 -10.267 25.527 -8.138 98 HA THR 13 HA THR 13 -9.782 24.923 -10.965 99 HB THR 13 HB THR 13 -12.569 25.405 -9.905 100 HG1 THR 13 HG1 THR 13 -12.773 23.302 -9.662 101 HG21 THR 13 3HG2 THR 13 -11.384 24.807 -12.589 102 HG22 THR 13 1HG2 THR 13 -12.583 26.021 -12.143 103 HG23 THR 13 2HG2 THR 13 -13.039 24.319 -12.223 104 H GLU 14 H GLU 14 -11.487 27.122 -8.735 105 HA GLU 14 HA GLU 14 -10.445 29.375 -10.314 106 HB2 GLU 14 2HB GLU 14 -13.066 28.683 -10.356 107 HB3 GLU 14 3HB GLU 14 -13.050 29.781 -8.983 108 HG2 GLU 14 2HG GLU 14 -12.986 31.541 -10.316 109 HG3 GLU 14 3HG GLU 14 -11.568 30.916 -11.156 110 H LEU 15 H LEU 15 -10.259 27.852 -7.481 111 HA LEU 15 HA LEU 15 -9.251 28.480 -5.520 112 HB2 LEU 15 2HB LEU 15 -8.631 30.577 -7.137 113 HB3 LEU 15 3HB LEU 15 -9.568 31.377 -5.877 114 HG LEU 15 HG LEU 15 -7.162 31.471 -5.436 115 HD11 LEU 15 1HD1 LEU 15 -9.049 31.124 -3.644 116 HD12 LEU 15 2HD1 LEU 15 -7.347 31.111 -3.185 117 HD13 LEU 15 3HD1 LEU 15 -8.217 29.590 -3.385 118 HD21 LEU 15 3HD2 LEU 15 -5.867 29.731 -5.902 119 HD22 LEU 15 1HD2 LEU 15 -7.282 28.727 -6.220 120 HD23 LEU 15 2HD2 LEU 15 -6.629 28.837 -4.585 121 H ASN 16 H ASN 16 -12.263 29.513 -6.641 122 HA ASN 16 HA ASN 16 -13.150 30.420 -4.004 123 HB2 ASN 16 2HB ASN 16 -13.729 31.568 -6.276 124 HB3 ASN 16 3HB ASN 16 -14.922 30.281 -6.423 125 HD21 ASN 16 1HD2 ASN 16 -16.852 30.746 -5.682 126 HD22 ASN 16 2HD2 ASN 16 -17.223 31.898 -4.449 127 H ASN 17 H ASN 17 -13.947 27.991 -6.469 128 HA ASN 17 HA ASN 17 -15.883 26.687 -4.796 129 HB2 ASN 17 2HB ASN 17 -14.618 25.403 -7.198 130 HB3 ASN 17 3HB ASN 17 -16.266 25.247 -6.597 131 HD21 ASN 17 1HD2 ASN 17 -14.954 26.108 -9.212 132 HD22 ASN 17 2HD2 ASN 17 -15.783 27.567 -9.620 133 H LYS 18 H LYS 18 -12.489 26.565 -5.145 134 HA LYS 18 HA LYS 18 -11.827 23.950 -4.576 135 HB2 LYS 18 2HB LYS 18 -10.351 26.088 -4.967 136 HB3 LYS 18 3HB LYS 18 -10.350 26.166 -3.210 137 HG2 LYS 18 2HG LYS 18 -9.632 23.607 -4.558 138 HG3 LYS 18 3HG LYS 18 -8.450 24.916 -4.479 139 HD2 LYS 18 2HD LYS 18 -8.288 24.810 -2.182 140 HD3 LYS 18 3HD LYS 18 -9.896 24.104 -1.996 141 HE2 LYS 18 2HE LYS 18 -8.567 22.285 -1.550 142 HE3 LYS 18 3HE LYS 18 -8.826 22.090 -3.282 143 HZ1 LYS 18 3HZ LYS 18 -6.468 23.491 -2.163 144 HZ2 LYS 18 1HZ LYS 18 -6.696 22.945 -3.748 145 HZ3 LYS 18 2HZ LYS 18 -6.475 21.832 -2.494 146 H GLN 19 H GLN 19 -12.879 26.489 -2.366 147 HA GLN 19 HA GLN 19 -12.374 25.151 0.046 148 HB2 GLN 19 2HB GLN 19 -14.148 27.391 -0.798 149 HB3 GLN 19 3HB GLN 19 -14.444 26.652 0.770 150 HG2 GLN 19 2HG GLN 19 -11.853 27.012 1.052 151 HG3 GLN 19 3HG GLN 19 -12.128 28.254 -0.168 152 HE21 GLN 19 1HE2 GLN 19 -11.909 27.750 3.036 153 HE22 GLN 19 2HE2 GLN 19 -12.883 29.052 3.619 154 H TYR 20 H TYR 20 -15.278 25.237 -1.992 155 HA TYR 20 HA TYR 20 -16.813 23.547 -0.294 156 HB2 TYR 20 2HB TYR 20 -17.131 24.801 -2.939 157 HB3 TYR 20 3HB TYR 20 -17.989 23.277 -2.743 158 HD1 TYR 20 HD1 TYR 20 -17.400 26.405 -0.772 159 HD2 TYR 20 HD2 TYR 20 -20.170 23.429 -2.026 160 HE1 TYR 20 HE1 TYR 20 -19.197 27.581 0.428 161 HE2 TYR 20 HE2 TYR 20 -21.975 24.596 -0.831 162 HH TYR 20 HH TYR 20 -21.341 27.579 0.994 163 H GLU 21 H GLU 21 -14.998 22.989 -3.296 164 HA GLU 21 HA GLU 21 -15.607 20.271 -3.588 165 HB2 GLU 21 2HB GLU 21 -13.995 22.165 -4.903 166 HB3 GLU 21 3HB GLU 21 -12.923 20.840 -4.472 167 HG2 GLU 21 2HG GLU 21 -14.002 19.338 -5.817 168 HG3 GLU 21 3HG GLU 21 -15.534 20.206 -5.743 169 H LEU 22 H LEU 22 -12.886 21.857 -1.949 170 HA LEU 22 HA LEU 22 -11.671 19.419 -1.113 171 HB2 LEU 22 2HB LEU 22 -10.359 21.430 -1.345 172 HB3 LEU 22 3HB LEU 22 -11.345 22.252 -0.138 173 HG LEU 22 HG LEU 22 -10.424 20.154 1.308 174 HD11 LEU 22 1HD1 LEU 22 -7.909 20.912 -0.012 175 HD12 LEU 22 2HD1 LEU 22 -8.962 19.847 -0.942 176 HD13 LEU 22 3HD1 LEU 22 -8.420 19.366 0.666 177 HD21 LEU 22 3HD2 LEU 22 -10.344 22.766 1.569 178 HD22 LEU 22 1HD2 LEU 22 -8.671 22.550 1.054 179 HD23 LEU 22 2HD2 LEU 22 -9.261 21.730 2.500 180 H PHE 23 H PHE 23 -14.040 21.594 0.266 181 HA PHE 23 HA PHE 23 -13.982 20.783 2.927 182 HB2 PHE 23 2HB PHE 23 -15.290 22.691 2.325 183 HB3 PHE 23 3HB PHE 23 -16.264 21.747 1.203 184 HD1 PHE 23 HD2 PHE 23 -15.272 21.063 4.725 185 HD2 PHE 23 HD1 PHE 23 -18.434 21.827 1.981 186 HE1 PHE 23 HE2 PHE 23 -16.915 20.648 6.508 187 HE2 PHE 23 HE1 PHE 23 -20.082 21.415 3.760 188 HZ PHE 23 HZ PHE 23 -19.324 20.824 6.027 189 H MET 24 H MET 24 -15.962 19.505 0.258 190 HA MET 24 HA MET 24 -17.034 17.385 1.864 191 HB2 MET 24 2HB MET 24 -17.294 18.307 -0.937 192 HB3 MET 24 3HB MET 24 -17.579 16.594 -0.660 193 HG2 MET 24 2HG MET 24 -18.980 17.968 1.350 194 HG3 MET 24 3HG MET 24 -19.296 18.820 -0.160 195 HE1 MET 24 3HE MET 24 -20.201 14.518 0.946 196 HE2 MET 24 1HE MET 24 -18.858 14.621 -0.193 197 HE3 MET 24 2HE MET 24 -18.769 15.465 1.352 198 H LYS 25 H LYS 25 -14.392 17.745 -0.412 199 HA LYS 25 HA LYS 25 -13.831 15.030 -0.853 200 HB2 LYS 25 2HB LYS 25 -12.871 16.850 -2.201 201 HB3 LYS 25 3HB LYS 25 -11.922 17.376 -0.817 202 HG2 LYS 25 2HG LYS 25 -11.260 14.711 -1.070 203 HG3 LYS 25 3HG LYS 25 -11.401 15.268 -2.740 204 HD2 LYS 25 2HD LYS 25 -9.140 15.609 -2.063 205 HD3 LYS 25 3HD LYS 25 -9.915 17.194 -2.123 206 HE2 LYS 25 2HE LYS 25 -9.966 17.398 0.183 207 HE3 LYS 25 3HE LYS 25 -9.851 15.658 0.441 208 HZ1 LYS 25 3HZ LYS 25 -7.804 17.114 0.897 209 HZ2 LYS 25 1HZ LYS 25 -7.615 17.138 -0.784 210 HZ3 LYS 25 2HZ LYS 25 -7.587 15.666 0.049 211 H SER 26 H SER 26 -12.519 17.301 1.548 212 HA SER 26 HA SER 26 -10.830 15.395 2.799 213 HB2 SER 26 2HB SER 26 -10.163 17.565 3.257 214 HB3 SER 26 3HB SER 26 -11.815 18.136 3.488 215 HG SER 26 HG SER 26 -10.102 16.849 5.277 216 H LEU 27 H LEU 27 -14.165 16.346 3.247 217 HA LEU 27 HA LEU 27 -14.526 15.075 5.770 218 HB2 LEU 27 2HB LEU 27 -15.960 16.897 4.824 219 HB3 LEU 27 3HB LEU 27 -16.629 15.707 3.708 220 HG LEU 27 HG LEU 27 -16.785 15.275 6.669 221 HD11 LEU 27 1HD1 LEU 27 -18.004 17.133 6.869 222 HD12 LEU 27 2HD1 LEU 27 -19.243 16.267 5.961 223 HD13 LEU 27 3HD1 LEU 27 -18.129 17.347 5.123 224 HD21 LEU 27 3HD2 LEU 27 -17.594 13.371 5.780 225 HD22 LEU 27 1HD2 LEU 27 -17.939 14.118 4.220 226 HD23 LEU 27 2HD2 LEU 27 -19.061 14.327 5.565 227 H ILE 28 H ILE 28 -15.374 14.151 2.440 228 HA ILE 28 HA ILE 28 -16.492 11.654 3.061 229 HB ILE 28 HB ILE 28 -15.138 12.599 0.535 230 HG12 ILE 28 2HG1 ILE 28 -17.238 13.764 1.301 231 HG13 ILE 28 3HG1 ILE 28 -17.351 13.007 -0.284 232 HG21 ILE 28 1HG2 ILE 28 -16.247 9.977 1.281 233 HG22 ILE 28 2HG2 ILE 28 -16.773 10.611 -0.278 234 HG23 ILE 28 3HG2 ILE 28 -15.054 10.399 0.054 235 HD11 ILE 28 3HD1 ILE 28 -19.177 12.741 1.693 236 HD12 ILE 28 1HD1 ILE 28 -18.948 11.590 0.376 237 HD13 ILE 28 2HD1 ILE 28 -18.189 11.301 1.942 238 H GLU 29 H GLU 29 -13.189 12.511 2.053 239 HA GLU 29 HA GLU 29 -12.164 9.886 2.132 240 HB2 GLU 29 2HB GLU 29 -9.976 10.907 2.034 241 HB3 GLU 29 3HB GLU 29 -11.067 11.778 0.967 242 HG2 GLU 29 2HG GLU 29 -9.950 13.494 1.997 243 HG3 GLU 29 3HG GLU 29 -11.390 13.351 3.004 244 H ASN 30 H ASN 30 -12.542 12.364 4.580 245 HA ASN 30 HA ASN 30 -10.887 11.212 6.555 246 HB2 ASN 30 2HB ASN 30 -11.498 13.483 6.857 247 HB3 ASN 30 3HB ASN 30 -13.215 13.123 6.693 248 HD21 ASN 30 1HD2 ASN 30 -14.004 13.766 8.594 249 HD22 ASN 30 2HD2 ASN 30 -13.491 13.170 10.132 250 H CYS 31 H CYS 31 -14.432 11.116 6.174 251 HA CYS 31 HA CYS 31 -14.833 9.244 8.263 252 HB2 CYS 31 2HB CYS 31 -16.485 10.483 6.142 253 HB3 CYS 31 3HB CYS 31 -17.054 8.934 6.753 254 HG CYS 31 HG CYS 31 -16.322 11.521 8.857 255 H LYS 32 H LYS 32 -14.632 8.917 4.738 256 HA LYS 32 HA LYS 32 -15.165 6.159 4.616 257 HB2 LYS 32 2HB LYS 32 -15.282 7.520 2.626 258 HB3 LYS 32 3HB LYS 32 -13.583 7.951 2.767 259 HG2 LYS 32 2HG LYS 32 -12.928 6.116 1.696 260 HG3 LYS 32 3HG LYS 32 -13.986 5.079 2.656 261 HD2 LYS 32 2HD LYS 32 -15.007 4.794 0.652 262 HD3 LYS 32 3HD LYS 32 -15.828 6.282 1.128 263 HE2 LYS 32 2HE LYS 32 -13.407 7.048 -0.089 264 HE3 LYS 32 3HE LYS 32 -14.108 5.795 -1.112 265 HZ1 LYS 32 3HZ LYS 32 -15.723 8.072 -0.143 266 HZ2 LYS 32 1HZ LYS 32 -16.027 7.044 -1.452 267 HZ3 LYS 32 2HZ LYS 32 -14.789 8.192 -1.547 268 H LYS 33 H LYS 33 -12.273 7.950 5.362 269 HA LYS 33 HA LYS 33 -10.339 5.982 4.915 270 HB2 LYS 33 2HB LYS 33 -10.525 8.493 6.413 271 HB3 LYS 33 3HB LYS 33 -9.398 7.340 7.116 272 HG2 LYS 33 2HG LYS 33 -8.068 7.295 5.185 273 HG3 LYS 33 3HG LYS 33 -9.321 8.061 4.205 274 HD2 LYS 33 2HD LYS 33 -8.995 10.155 5.259 275 HD3 LYS 33 3HD LYS 33 -8.017 9.439 6.542 276 HE2 LYS 33 2HE LYS 33 -7.237 9.499 3.630 277 HE3 LYS 33 3HE LYS 33 -6.700 10.676 4.828 278 HZ1 LYS 33 3HZ LYS 33 -5.971 8.503 6.075 279 HZ2 LYS 33 1HZ LYS 33 -4.981 9.210 4.899 280 HZ3 LYS 33 2HZ LYS 33 -5.934 7.870 4.506 281 H ARG 34 H ARG 34 -12.807 6.166 7.273 282 HA ARG 34 HA ARG 34 -11.520 4.519 9.245 283 HB2 ARG 34 2HB ARG 34 -13.823 6.135 9.138 284 HB3 ARG 34 3HB ARG 34 -14.395 4.500 9.442 285 HG2 ARG 34 2HG ARG 34 -13.557 4.454 11.523 286 HG3 ARG 34 3HG ARG 34 -12.097 5.334 11.067 287 HD2 ARG 34 2HD ARG 34 -13.117 7.406 11.315 288 HD3 ARG 34 3HD ARG 34 -14.740 6.732 11.169 289 HE ARG 34 HE ARG 34 -13.162 6.954 13.561 290 HH11 ARG 34 1HH1 ARG 34 -15.749 5.235 11.988 291 HH12 ARG 34 2HH1 ARG 34 -16.489 4.728 13.471 292 HH21 ARG 34 1HH2 ARG 34 -14.127 6.293 15.519 293 HH22 ARG 34 2HH2 ARG 34 -15.565 5.331 15.479 294 H ASN 35 H ASN 35 -12.681 3.862 6.237 295 HA ASN 35 HA ASN 35 -13.146 1.046 6.938 296 HB2 ASN 35 2HB ASN 35 -14.963 2.893 5.564 297 HB3 ASN 35 3HB ASN 35 -14.691 1.390 4.687 298 HD21 ASN 35 1HD2 ASN 35 -14.814 -0.605 6.124 299 HD22 ASN 35 2HD2 ASN 35 -16.132 -0.653 7.240 300 H MET 36 H MET 36 -12.610 3.255 4.190 301 HA MET 36 HA MET 36 -10.573 1.386 3.197 302 HB2 MET 36 2HB MET 36 -12.657 1.045 1.914 303 HB3 MET 36 3HB MET 36 -12.654 2.748 1.477 304 HG2 MET 36 2HG MET 36 -10.655 2.488 0.199 305 HG3 MET 36 3HG MET 36 -10.441 0.838 0.778 306 HE1 MET 36 3HE MET 36 -11.617 -1.048 -2.038 307 HE2 MET 36 1HE MET 36 -10.338 0.151 -2.224 308 HE3 MET 36 2HE MET 36 -10.494 -0.743 -0.712 309 HA PRO 37 HA PRO 37 -8.972 5.730 3.475 310 HB2 PRO 37 2HB PRO 37 -6.606 5.029 4.606 311 HB3 PRO 37 3HB PRO 37 -8.069 5.331 5.550 312 HG2 PRO 37 2HG PRO 37 -6.883 2.725 4.677 313 HG3 PRO 37 3HG PRO 37 -7.576 3.169 6.248 314 HD2 PRO 37 2HD PRO 37 -8.947 1.738 4.402 315 HD3 PRO 37 3HD PRO 37 -9.742 2.866 5.519 316 H LEU 38 H LEU 38 -7.176 6.671 2.356 317 HA LEU 38 HA LEU 38 -6.156 4.950 0.202 318 HB2 LEU 38 2HB LEU 38 -7.278 7.581 0.259 319 HB3 LEU 38 3HB LEU 38 -5.628 7.666 -0.356 320 HG LEU 38 HG LEU 38 -7.169 7.480 -2.197 321 HD11 LEU 38 1HD1 LEU 38 -5.724 4.874 -1.741 322 HD12 LEU 38 2HD1 LEU 38 -5.019 6.344 -2.412 323 HD13 LEU 38 3HD1 LEU 38 -6.286 5.492 -3.294 324 HD21 LEU 38 3HD2 LEU 38 -8.903 6.268 -0.720 325 HD22 LEU 38 1HD2 LEU 38 -8.071 4.796 -1.223 326 HD23 LEU 38 2HD2 LEU 38 -8.806 5.850 -2.431 327 H GLN 39 H GLN 39 -4.054 6.373 -0.722 328 HA GLN 39 HA GLN 39 -2.025 5.768 1.195 329 HB2 GLN 39 2HB GLN 39 -2.083 6.784 -1.608 330 HB3 GLN 39 3HB GLN 39 -0.611 7.010 -0.673 331 HG2 GLN 39 2HG GLN 39 -0.773 4.933 -2.127 332 HG3 GLN 39 3HG GLN 39 -0.252 4.717 -0.457 333 HE21 GLN 39 1HE2 GLN 39 -2.715 4.103 -2.793 334 HE22 GLN 39 2HE2 GLN 39 -3.664 3.031 -1.826 335 H SER 40 H SER 40 -3.412 8.742 -0.115 336 HA SER 40 HA SER 40 -2.656 10.211 2.228 337 HB2 SER 40 2HB SER 40 -0.527 10.437 1.200 338 HB3 SER 40 3HB SER 40 -1.239 10.722 -0.388 339 HG SER 40 HG SER 40 -0.646 12.494 1.553 340 H ILE 41 H ILE 41 -3.091 11.271 -1.136 341 HA ILE 41 HA ILE 41 -5.545 12.659 -0.282 342 HB ILE 41 HB ILE 41 -5.127 14.107 -2.326 343 HG12 ILE 41 2HG1 ILE 41 -2.244 13.522 -2.178 344 HG13 ILE 41 3HG1 ILE 41 -3.212 12.252 -2.918 345 HG21 ILE 41 1HG2 ILE 41 -4.740 14.894 -0.057 346 HG22 ILE 41 2HG2 ILE 41 -3.124 14.190 -0.074 347 HG23 ILE 41 3HG2 ILE 41 -3.513 15.530 -1.152 348 HD11 ILE 41 3HD1 ILE 41 -2.358 13.766 -4.595 349 HD12 ILE 41 1HD1 ILE 41 -4.116 13.882 -4.503 350 HD13 ILE 41 2HD1 ILE 41 -3.109 15.134 -3.773 351 HA PRO 42 HA PRO 42 -7.239 9.500 -3.070 352 HB2 PRO 42 2HB PRO 42 -9.750 9.655 -2.049 353 HB3 PRO 42 3HB PRO 42 -8.465 8.701 -1.299 354 HG2 PRO 42 2HG PRO 42 -9.459 11.433 -0.586 355 HG3 PRO 42 3HG PRO 42 -9.039 10.081 0.482 356 HD2 PRO 42 2HD PRO 42 -7.366 12.164 0.041 357 HD3 PRO 42 3HD PRO 42 -6.779 10.518 0.353 358 H GLU 43 H GLU 43 -7.443 10.323 -5.072 359 HA GLU 43 HA GLU 43 -9.742 11.989 -5.654 360 HB2 GLU 43 2HB GLU 43 -7.619 13.435 -5.138 361 HB3 GLU 43 3HB GLU 43 -7.122 12.939 -6.749 362 HG2 GLU 43 2HG GLU 43 -8.392 14.502 -7.651 363 HG3 GLU 43 3HG GLU 43 -9.820 13.827 -6.870 364 H ILE 44 H ILE 44 -10.513 11.721 -7.713 365 HA ILE 44 HA ILE 44 -8.919 10.426 -9.745 366 HB ILE 44 HB ILE 44 -9.640 8.467 -8.526 367 HG12 ILE 44 2HG1 ILE 44 -10.875 7.299 -10.310 368 HG13 ILE 44 3HG1 ILE 44 -11.284 8.848 -11.039 369 HG21 ILE 44 1HG2 ILE 44 -11.603 8.292 -7.495 370 HG22 ILE 44 2HG2 ILE 44 -11.915 9.962 -7.966 371 HG23 ILE 44 3HG2 ILE 44 -12.486 8.638 -8.981 372 HD11 ILE 44 3HD1 ILE 44 -9.308 7.439 -11.964 373 HD12 ILE 44 1HD1 ILE 44 -9.156 9.191 -11.823 374 HD13 ILE 44 2HD1 ILE 44 -8.423 8.141 -10.609 375 H GLY 45 H GLY 45 -9.413 11.405 -11.587 376 HA2 GLY 45 2HA GLY 45 -10.951 11.921 -13.336 377 HA3 GLY 45 3HA GLY 45 -12.221 12.078 -12.131 378 H ASN 46 H ASN 46 -12.229 13.969 -10.773 379 HA ASN 46 HA ASN 46 -10.486 16.132 -11.027 380 HB2 ASN 46 2HB ASN 46 -11.930 15.858 -13.353 381 HB3 ASN 46 3HB ASN 46 -12.886 17.032 -12.454 382 HD21 ASN 46 1HD2 ASN 46 -12.421 18.987 -13.134 383 HD22 ASN 46 2HD2 ASN 46 -10.841 19.603 -13.465 384 H ARG 47 H ARG 47 -12.001 14.787 -9.029 385 HA ARG 47 HA ARG 47 -13.187 15.242 -7.143 386 HB2 ARG 47 2HB ARG 47 -12.984 18.129 -8.015 387 HB3 ARG 47 3HB ARG 47 -13.340 17.546 -6.395 388 HG2 ARG 47 2HG ARG 47 -11.185 17.228 -5.910 389 HG3 ARG 47 3HG ARG 47 -10.838 16.515 -7.486 390 HD2 ARG 47 2HD ARG 47 -11.346 19.448 -7.284 391 HD3 ARG 47 3HD ARG 47 -9.779 18.809 -6.791 392 HE ARG 47 HE ARG 47 -10.095 17.712 -9.218 393 HH11 ARG 47 1HH1 ARG 47 -10.464 20.978 -8.072 394 HH12 ARG 47 2HH1 ARG 47 -10.016 21.698 -9.582 395 HH21 ARG 47 1HH2 ARG 47 -9.503 18.647 -11.213 396 HH22 ARG 47 2HH2 ARG 47 -9.470 20.371 -11.369 397 H LYS 48 H LYS 48 -15.180 14.428 -7.321 398 HA LYS 48 HA LYS 48 -17.300 16.184 -8.289 399 HB2 LYS 48 2HB LYS 48 -16.747 13.420 -9.360 400 HB3 LYS 48 3HB LYS 48 -18.328 14.181 -9.491 401 HG2 LYS 48 2HG LYS 48 -17.559 15.815 -10.953 402 HG3 LYS 48 3HG LYS 48 -15.872 15.564 -10.498 403 HD2 LYS 48 2HD LYS 48 -16.194 13.198 -11.475 404 HD3 LYS 48 3HD LYS 48 -17.626 13.877 -12.251 405 HE2 LYS 48 2HE LYS 48 -16.288 14.581 -13.884 406 HE3 LYS 48 3HE LYS 48 -15.617 15.737 -12.734 407 HZ1 LYS 48 3HZ LYS 48 -14.177 13.655 -12.082 408 HZ2 LYS 48 1HZ LYS 48 -13.733 14.665 -13.365 409 HZ3 LYS 48 2HZ LYS 48 -14.514 13.197 -13.675 410 H ILE 49 H ILE 49 -16.196 14.720 -5.775 411 HA ILE 49 HA ILE 49 -18.500 13.153 -4.970 412 HB ILE 49 HB ILE 49 -16.266 13.957 -3.134 413 HG12 ILE 49 2HG1 ILE 49 -15.485 11.510 -4.048 414 HG13 ILE 49 3HG1 ILE 49 -16.133 12.226 -5.519 415 HG21 ILE 49 1HG2 ILE 49 -18.062 11.545 -3.322 416 HG22 ILE 49 2HG2 ILE 49 -16.745 11.726 -2.165 417 HG23 ILE 49 3HG2 ILE 49 -18.124 12.824 -2.110 418 HD11 ILE 49 3HD1 ILE 49 -14.587 14.243 -4.487 419 HD12 ILE 49 1HD1 ILE 49 -13.667 12.790 -4.096 420 HD13 ILE 49 2HD1 ILE 49 -14.118 13.126 -5.768 421 H ASN 50 H ASN 50 -17.801 16.381 -5.097 422 HA ASN 50 HA ASN 50 -18.866 17.234 -2.583 423 HB2 ASN 50 2HB ASN 50 -17.294 18.627 -3.868 424 HB3 ASN 50 3HB ASN 50 -18.486 18.785 -5.154 425 HD21 ASN 50 1HD2 ASN 50 -18.613 20.997 -4.991 426 HD22 ASN 50 2HD2 ASN 50 -19.351 21.797 -3.650 427 H LEU 51 H LEU 51 -20.860 18.333 -2.236 428 HA LEU 51 HA LEU 51 -23.076 17.087 -3.525 429 HB2 LEU 51 2HB LEU 51 -22.980 17.803 -1.125 430 HB3 LEU 51 3HB LEU 51 -23.121 19.469 -1.683 431 HG LEU 51 HG LEU 51 -25.326 18.899 -2.670 432 HD11 LEU 51 1HD1 LEU 51 -26.398 16.794 -1.867 433 HD12 LEU 51 2HD1 LEU 51 -24.811 16.257 -1.319 434 HD13 LEU 51 3HD1 LEU 51 -25.099 16.551 -3.034 435 HD21 LEU 51 3HD2 LEU 51 -26.056 19.757 -0.759 436 HD22 LEU 51 1HD2 LEU 51 -24.626 19.171 0.090 437 HD23 LEU 51 2HD2 LEU 51 -26.049 18.139 -0.056 438 H PHE 52 H PHE 52 -21.284 19.958 -4.086 439 HA PHE 52 HA PHE 52 -23.410 21.137 -5.711 440 HB2 PHE 52 2HB PHE 52 -21.323 22.215 -4.136 441 HB3 PHE 52 3HB PHE 52 -20.957 22.626 -5.808 442 HD1 PHE 52 HD2 PHE 52 -22.598 23.921 -7.143 443 HD2 PHE 52 HD1 PHE 52 -23.094 23.255 -2.969 444 HE1 PHE 52 HE2 PHE 52 -24.227 25.762 -7.047 445 HE2 PHE 52 HE1 PHE 52 -24.725 25.094 -2.866 446 HZ PHE 52 HZ PHE 52 -25.293 26.351 -4.906 447 H TYR 53 H TYR 53 -20.229 19.680 -5.978 448 HA TYR 53 HA TYR 53 -19.879 20.270 -8.749 449 HB2 TYR 53 2HB TYR 53 -18.113 19.622 -6.928 450 HB3 TYR 53 3HB TYR 53 -18.515 17.972 -7.390 451 HD1 TYR 53 HD1 TYR 53 -18.404 17.457 -9.953 452 HD2 TYR 53 HD2 TYR 53 -16.461 20.754 -8.095 453 HE1 TYR 53 HE1 TYR 53 -16.853 17.607 -11.856 454 HE2 TYR 53 HE2 TYR 53 -14.905 20.915 -9.993 455 HH TYR 53 HH TYR 53 -14.986 18.564 -12.638 456 H LEU 54 H LEU 54 -20.876 17.373 -6.951 457 HA LEU 54 HA LEU 54 -21.226 15.708 -9.194 458 HB2 LEU 54 2HB LEU 54 -21.092 15.048 -6.749 459 HB3 LEU 54 3HB LEU 54 -22.785 15.522 -6.629 460 HG LEU 54 HG LEU 54 -23.250 13.818 -8.447 461 HD11 LEU 54 1HD1 LEU 54 -20.798 13.693 -9.097 462 HD12 LEU 54 2HD1 LEU 54 -21.661 12.162 -8.951 463 HD13 LEU 54 3HD1 LEU 54 -20.579 12.690 -7.662 464 HD21 LEU 54 3HD2 LEU 54 -22.189 12.227 -6.235 465 HD22 LEU 54 1HD2 LEU 54 -23.843 12.397 -6.823 466 HD23 LEU 54 2HD2 LEU 54 -23.171 13.601 -5.723 467 H TYR 55 H TYR 55 -23.263 18.117 -7.712 468 HA TYR 55 HA TYR 55 -25.664 17.311 -9.060 469 HB2 TYR 55 2HB TYR 55 -24.862 19.404 -7.166 470 HB3 TYR 55 3HB TYR 55 -26.077 19.926 -8.328 471 HD1 TYR 55 HD2 TYR 55 -25.358 17.103 -5.990 472 HD2 TYR 55 HD1 TYR 55 -28.309 19.534 -7.857 473 HE1 TYR 55 HE2 TYR 55 -27.103 16.003 -4.651 474 HE2 TYR 55 HE1 TYR 55 -30.062 18.442 -6.522 475 HH TYR 55 HH TYR 55 -29.258 15.963 -4.110 476 H MET 56 H MET 56 -23.383 20.019 -9.443 477 HA MET 56 HA MET 56 -24.589 21.180 -11.682 478 HB2 MET 56 2HB MET 56 -22.837 22.270 -10.322 479 HB3 MET 56 3HB MET 56 -21.650 21.145 -10.968 480 HG2 MET 56 2HG MET 56 -22.206 22.022 -13.249 481 HG3 MET 56 3HG MET 56 -23.167 23.269 -12.456 482 HE1 MET 56 3HE MET 56 -19.171 22.482 -13.407 483 HE2 MET 56 1HE MET 56 -20.615 22.814 -14.364 484 HE3 MET 56 2HE MET 56 -19.470 24.110 -14.019 485 H LEU 57 H LEU 57 -22.243 18.565 -11.415 486 HA LEU 57 HA LEU 57 -21.587 18.356 -14.141 487 HB2 LEU 57 2HB LEU 57 -20.344 17.296 -12.277 488 HB3 LEU 57 3HB LEU 57 -21.671 16.152 -12.086 489 HG LEU 57 HG LEU 57 -19.589 15.366 -13.340 490 HD11 LEU 57 1HD1 LEU 57 -21.971 14.381 -13.339 491 HD12 LEU 57 2HD1 LEU 57 -20.845 13.872 -14.596 492 HD13 LEU 57 3HD1 LEU 57 -22.090 15.068 -14.959 493 HD21 LEU 57 3HD2 LEU 57 -19.356 15.963 -15.629 494 HD22 LEU 57 1HD2 LEU 57 -19.439 17.466 -14.710 495 HD23 LEU 57 2HD2 LEU 57 -20.850 16.900 -15.604 496 H VAL 58 H VAL 58 -24.017 16.636 -12.196 497 HA VAL 58 HA VAL 58 -25.033 15.018 -14.244 498 HB VAL 58 HB VAL 58 -26.476 16.112 -11.825 499 HG11 VAL 58 1HG1 VAL 58 -28.215 15.345 -13.119 500 HG12 VAL 58 2HG1 VAL 58 -27.230 14.108 -13.903 501 HG13 VAL 58 3HG1 VAL 58 -27.777 13.879 -12.242 502 HG21 VAL 58 3HG2 VAL 58 -25.704 13.318 -11.772 503 HG22 VAL 58 1HG2 VAL 58 -24.312 14.387 -11.942 504 HG23 VAL 58 2HG2 VAL 58 -25.419 14.590 -10.584 505 H GLN 59 H GLN 59 -26.164 18.177 -13.056 506 HA GLN 59 HA GLN 59 -28.330 18.469 -14.792 507 HB2 GLN 59 2HB GLN 59 -26.555 20.512 -13.461 508 HB3 GLN 59 3HB GLN 59 -27.974 20.953 -14.402 509 HG2 GLN 59 2HG GLN 59 -28.707 18.946 -12.519 510 HG3 GLN 59 3HG GLN 59 -27.831 20.227 -11.684 511 HE21 GLN 59 1HE2 GLN 59 -28.622 22.389 -11.870 512 HE22 GLN 59 2HE2 GLN 59 -30.298 22.679 -12.174 513 H LYS 60 H LYS 60 -24.913 19.119 -15.251 514 HA LYS 60 HA LYS 60 -25.211 20.516 -17.721 515 HB2 LYS 60 2HB LYS 60 -23.076 19.796 -15.958 516 HB3 LYS 60 3HB LYS 60 -22.649 19.297 -17.590 517 HG2 LYS 60 2HG LYS 60 -23.757 22.019 -17.276 518 HG3 LYS 60 3HG LYS 60 -22.139 21.730 -16.633 519 HD2 LYS 60 2HD LYS 60 -22.754 20.739 -19.368 520 HD3 LYS 60 3HD LYS 60 -22.536 22.476 -19.146 521 HE2 LYS 60 2HE LYS 60 -20.333 22.206 -18.369 522 HE3 LYS 60 3HE LYS 60 -20.553 20.478 -18.098 523 HZ1 LYS 60 3HZ LYS 60 -20.274 20.003 -20.291 524 HZ2 LYS 60 1HZ LYS 60 -19.300 21.383 -20.200 525 HZ3 LYS 60 2HZ LYS 60 -20.868 21.494 -20.824 526 H PHE 61 H PHE 61 -24.760 17.158 -16.810 527 HA PHE 61 HA PHE 61 -24.265 16.239 -19.478 528 HB2 PHE 61 2HB PHE 61 -24.518 15.041 -16.803 529 HB3 PHE 61 3HB PHE 61 -25.084 14.014 -18.116 530 HD1 PHE 61 HD2 PHE 61 -22.203 16.325 -17.551 531 HD2 PHE 61 HD1 PHE 61 -23.541 12.497 -18.844 532 HE1 PHE 61 HE2 PHE 61 -19.880 15.684 -18.045 533 HE2 PHE 61 HE1 PHE 61 -21.219 11.849 -19.339 534 HZ PHE 61 HZ PHE 61 -19.385 13.444 -18.941 535 H GLY 62 H GLY 62 -27.011 17.318 -17.911 536 HA2 GLY 62 2HA GLY 62 -29.075 17.540 -19.094 537 HA3 GLY 62 3HA GLY 62 -28.705 16.051 -19.952 538 H GLY 63 H GLY 63 -28.141 16.091 -16.555 539 HA2 GLY 63 2HA GLY 63 -29.468 15.357 -14.774 540 HA3 GLY 63 3HA GLY 63 -30.776 15.047 -15.906 541 H ALA 64 H ALA 64 -29.961 13.296 -13.825 542 HA ALA 64 HA ALA 64 -28.236 11.256 -14.500 543 HB1 ALA 64 1HB ALA 64 -28.940 10.678 -12.472 544 HB2 ALA 64 2HB ALA 64 -30.422 11.620 -12.646 545 HB3 ALA 64 3HB ALA 64 -30.354 9.964 -13.249 546 H ASP 65 H ASP 65 -31.473 11.877 -15.676 547 HA ASP 65 HA ASP 65 -31.999 9.371 -16.835 548 HB2 ASP 65 2HB ASP 65 -33.055 12.130 -17.158 549 HB3 ASP 65 3HB ASP 65 -33.390 10.988 -18.457 550 H GLN 66 H GLN 66 -30.268 12.197 -18.021 551 HA GLN 66 HA GLN 66 -29.995 11.297 -20.699 552 HB2 GLN 66 2HB GLN 66 -29.682 13.673 -19.743 553 HB3 GLN 66 3HB GLN 66 -28.056 13.144 -19.331 554 HG2 GLN 66 2HG GLN 66 -27.348 13.413 -21.413 555 HG3 GLN 66 3HG GLN 66 -28.709 12.503 -22.068 556 HE21 GLN 66 1HE2 GLN 66 -27.398 14.942 -23.034 557 HE22 GLN 66 2HE2 GLN 66 -28.647 16.129 -23.158 558 H VAL 67 H VAL 67 -28.046 10.925 -17.791 559 HA VAL 67 HA VAL 67 -25.767 9.806 -19.040 560 HB VAL 67 HB VAL 67 -26.692 9.284 -16.215 561 HG11 VAL 67 1HG1 VAL 67 -24.401 8.852 -15.727 562 HG12 VAL 67 2HG1 VAL 67 -24.820 7.903 -17.154 563 HG13 VAL 67 3HG1 VAL 67 -23.895 9.395 -17.327 564 HG21 VAL 67 3HG2 VAL 67 -24.769 11.287 -16.157 565 HG22 VAL 67 1HG2 VAL 67 -25.845 11.747 -17.476 566 HG23 VAL 67 2HG2 VAL 67 -26.497 11.476 -15.860 567 H THR 68 H THR 68 -28.757 8.433 -17.811 568 HA THR 68 HA THR 68 -27.849 5.710 -18.214 569 HB THR 68 HB THR 68 -29.342 6.182 -16.335 570 HG1 THR 68 HG1 THR 68 -29.884 4.181 -16.756 571 HG21 THR 68 3HG2 THR 68 -31.678 6.788 -16.703 572 HG22 THR 68 1HG2 THR 68 -31.390 6.894 -18.439 573 HG23 THR 68 2HG2 THR 68 -30.605 8.032 -17.344 574 H ARG 69 H ARG 69 -29.732 8.115 -19.888 575 HA ARG 69 HA ARG 69 -31.157 6.503 -21.665 576 HB2 ARG 69 2HB ARG 69 -31.487 8.950 -21.367 577 HB3 ARG 69 3HB ARG 69 -29.980 9.229 -22.230 578 HG2 ARG 69 2HG ARG 69 -31.469 7.579 -23.906 579 HG3 ARG 69 3HG ARG 69 -32.624 8.746 -23.259 580 HD2 ARG 69 2HD ARG 69 -31.630 10.507 -24.291 581 HD3 ARG 69 3HD ARG 69 -30.016 9.812 -24.156 582 HE ARG 69 HE ARG 69 -31.548 8.309 -25.982 583 HH11 ARG 69 1HH1 ARG 69 -29.969 11.396 -25.665 584 HH12 ARG 69 2HH1 ARG 69 -29.686 11.572 -27.365 585 HH21 ARG 69 1HH2 ARG 69 -31.182 8.531 -28.223 586 HH22 ARG 69 2HH2 ARG 69 -30.378 9.943 -28.819 587 H THR 70 H THR 70 -27.885 7.838 -21.912 588 HA THR 70 HA THR 70 -27.457 6.409 -24.423 589 HB THR 70 HB THR 70 -25.057 7.583 -23.880 590 HG1 THR 70 HG1 THR 70 -25.741 9.756 -23.153 591 HG21 THR 70 3HG2 THR 70 -25.745 9.333 -25.443 592 HG22 THR 70 1HG2 THR 70 -27.436 8.899 -25.197 593 HG23 THR 70 2HG2 THR 70 -26.335 7.756 -25.967 594 H GLN 71 H GLN 71 -27.265 5.695 -21.226 595 HA GLN 71 HA GLN 71 -26.263 4.049 -20.017 596 HB2 GLN 71 2HB GLN 71 -26.856 2.849 -22.274 597 HB3 GLN 71 3HB GLN 71 -25.114 2.859 -22.512 598 HG2 GLN 71 2HG GLN 71 -25.548 1.937 -19.896 599 HG3 GLN 71 3HG GLN 71 -26.717 1.107 -20.922 600 HE21 GLN 71 1HE2 GLN 71 -23.812 0.758 -19.603 601 HE22 GLN 71 2HE2 GLN 71 -23.032 -0.227 -20.789 602 H GLN 72 H GLN 72 -24.860 6.340 -20.038 603 HA GLN 72 HA GLN 72 -22.061 5.519 -20.442 604 HB2 GLN 72 2HB GLN 72 -21.606 8.018 -20.322 605 HB3 GLN 72 3HB GLN 72 -22.452 7.445 -21.753 606 HG2 GLN 72 2HG GLN 72 -24.576 8.170 -20.788 607 HG3 GLN 72 3HG GLN 72 -23.724 8.752 -19.359 608 HE21 GLN 72 1HE2 GLN 72 -25.377 10.242 -21.199 609 HE22 GLN 72 2HE2 GLN 72 -24.380 11.486 -21.864 610 H TRP 73 H TRP 73 -24.201 5.437 -18.101 611 HA TRP 73 HA TRP 73 -23.196 6.925 -15.965 612 HB2 TRP 73 2HB TRP 73 -24.287 5.168 -14.528 613 HB3 TRP 73 3HB TRP 73 -25.335 5.875 -15.754 614 HD1 TRP 73 HD1 TRP 73 -26.191 4.289 -17.703 615 HE1 TRP 73 HE1 TRP 73 -26.194 1.732 -17.992 616 HE3 TRP 73 HE3 TRP 73 -22.896 3.049 -13.995 617 HZ2 TRP 73 HZ2 TRP 73 -24.964 -0.514 -16.805 618 HZ3 TRP 73 HZ3 TRP 73 -22.364 0.674 -13.637 619 HH2 TRP 73 HH2 TRP 73 -23.377 -1.070 -15.014 620 H SER 74 H SER 74 -22.277 3.737 -17.175 621 HA SER 74 HA SER 74 -20.516 3.069 -15.073 622 HB2 SER 74 2HB SER 74 -21.105 1.235 -16.372 623 HB3 SER 74 3HB SER 74 -20.899 2.111 -17.888 624 HG SER 74 HG SER 74 -19.112 0.923 -17.832 625 H MET 75 H MET 75 -20.061 4.785 -18.121 626 HA MET 75 HA MET 75 -17.223 4.966 -17.898 627 HB2 MET 75 2HB MET 75 -19.316 6.082 -19.678 628 HB3 MET 75 3HB MET 75 -17.811 6.985 -19.575 629 HG2 MET 75 2HG MET 75 -16.553 5.220 -20.437 630 HG3 MET 75 3HG MET 75 -17.826 4.043 -20.123 631 HE1 MET 75 3HE MET 75 -16.622 6.807 -22.962 632 HE2 MET 75 1HE MET 75 -15.884 5.279 -22.479 633 HE3 MET 75 2HE MET 75 -16.779 5.386 -23.995 634 H VAL 76 H VAL 76 -19.888 7.230 -17.265 635 HA VAL 76 HA VAL 76 -18.266 9.382 -16.424 636 HB VAL 76 HB VAL 76 -21.131 8.772 -15.680 637 HG11 VAL 76 1HG1 VAL 76 -21.262 11.224 -15.274 638 HG12 VAL 76 2HG1 VAL 76 -20.219 10.367 -14.137 639 HG13 VAL 76 3HG1 VAL 76 -19.510 11.303 -15.453 640 HG21 VAL 76 3HG2 VAL 76 -20.540 8.991 -18.144 641 HG22 VAL 76 1HG2 VAL 76 -21.797 10.065 -17.531 642 HG23 VAL 76 2HG2 VAL 76 -20.165 10.679 -17.794 643 H ALA 77 H ALA 77 -20.065 6.938 -14.561 644 HA ALA 77 HA ALA 77 -19.383 7.782 -12.006 645 HB1 ALA 77 1HB ALA 77 -19.987 5.045 -13.092 646 HB2 ALA 77 2HB ALA 77 -19.716 5.350 -11.376 647 HB3 ALA 77 3HB ALA 77 -21.057 6.135 -12.210 648 H GLN 78 H GLN 78 -17.583 5.769 -14.271 649 HA GLN 78 HA GLN 78 -15.565 4.925 -12.499 650 HB2 GLN 78 2HB GLN 78 -15.836 5.109 -15.465 651 HB3 GLN 78 3HB GLN 78 -14.236 4.834 -14.788 652 HG2 GLN 78 2HG GLN 78 -15.030 2.838 -13.662 653 HG3 GLN 78 3HG GLN 78 -16.660 3.126 -14.269 654 HE21 GLN 78 1HE2 GLN 78 -17.086 1.643 -15.736 655 HE22 GLN 78 2HE2 GLN 78 -16.044 1.160 -17.026 656 H ARG 79 H ARG 79 -15.995 7.851 -14.373 657 HA ARG 79 HA ARG 79 -13.399 8.872 -14.270 658 HB2 ARG 79 2HB ARG 79 -15.919 9.773 -15.122 659 HB3 ARG 79 3HB ARG 79 -15.360 10.968 -13.959 660 HG2 ARG 79 2HG ARG 79 -13.479 11.501 -15.230 661 HG3 ARG 79 3HG ARG 79 -13.595 10.022 -16.186 662 HD2 ARG 79 2HD ARG 79 -15.891 11.892 -16.290 663 HD3 ARG 79 3HD ARG 79 -14.404 12.398 -17.091 664 HE ARG 79 HE ARG 79 -16.223 10.376 -17.964 665 HH11 ARG 79 1HH1 ARG 79 -12.884 11.360 -17.986 666 HH12 ARG 79 2HH1 ARG 79 -12.508 10.512 -19.450 667 HH21 ARG 79 1HH2 ARG 79 -15.742 9.256 -19.892 668 HH22 ARG 79 2HH2 ARG 79 -14.135 9.316 -20.533 669 H LEU 80 H LEU 80 -16.065 9.155 -11.955 670 HA LEU 80 HA LEU 80 -14.303 10.558 -10.086 671 HB2 LEU 80 2HB LEU 80 -16.470 10.678 -8.727 672 HB3 LEU 80 3HB LEU 80 -16.345 11.654 -10.190 673 HG LEU 80 HG LEU 80 -17.616 8.983 -10.437 674 HD11 LEU 80 1HD1 LEU 80 -18.499 10.046 -8.316 675 HD12 LEU 80 2HD1 LEU 80 -19.694 9.651 -9.551 676 HD13 LEU 80 3HD1 LEU 80 -19.159 11.318 -9.343 677 HD21 LEU 80 3HD2 LEU 80 -17.212 10.744 -12.268 678 HD22 LEU 80 1HD2 LEU 80 -18.553 11.615 -11.523 679 HD23 LEU 80 2HD2 LEU 80 -18.805 9.992 -12.166 680 H GLN 81 H GLN 81 -15.052 7.450 -10.846 681 HA GLN 81 HA GLN 81 -14.785 5.445 -9.806 682 HB2 GLN 81 2HB GLN 81 -12.649 6.629 -9.096 683 HB3 GLN 81 3HB GLN 81 -13.451 6.961 -7.566 684 HG2 GLN 81 2HG GLN 81 -13.860 4.311 -7.738 685 HG3 GLN 81 3HG GLN 81 -12.339 4.449 -8.619 686 HE21 GLN 81 1HE2 GLN 81 -12.877 3.194 -6.054 687 HE22 GLN 81 2HE2 GLN 81 -11.852 3.980 -4.906 688 H ILE 82 H ILE 82 -17.254 6.472 -9.491 689 HA ILE 82 HA ILE 82 -17.939 6.239 -6.653 690 HB ILE 82 HB ILE 82 -18.892 8.150 -7.839 691 HG12 ILE 82 2HG1 ILE 82 -21.069 6.138 -7.250 692 HG13 ILE 82 3HG1 ILE 82 -20.144 6.961 -5.999 693 HG21 ILE 82 1HG2 ILE 82 -20.264 6.099 -9.572 694 HG22 ILE 82 2HG2 ILE 82 -20.537 7.840 -9.617 695 HG23 ILE 82 3HG2 ILE 82 -18.968 7.181 -10.079 696 HD11 ILE 82 3HD1 ILE 82 -21.307 8.775 -7.956 697 HD12 ILE 82 1HD1 ILE 82 -22.501 7.823 -7.074 698 HD13 ILE 82 2HD1 ILE 82 -21.345 8.824 -6.194 699 H SER 83 H SER 83 -18.424 4.677 -9.755 700 HA SER 83 HA SER 83 -19.632 2.397 -8.344 701 HB2 SER 83 2HB SER 83 -21.419 3.587 -9.533 702 HB3 SER 83 3HB SER 83 -20.502 3.481 -11.036 703 HG SER 83 HG SER 83 -22.239 1.791 -10.322 704 H ASP 84 H ASP 84 -17.285 1.811 -8.418 705 HA ASP 84 HA ASP 84 -16.327 0.932 -11.027 706 HB2 ASP 84 2HB ASP 84 -15.102 1.335 -8.342 707 HB3 ASP 84 3HB ASP 84 -14.364 0.142 -9.407 708 H TYR 85 H TYR 85 -18.415 -0.533 -10.735 709 HA TYR 85 HA TYR 85 -19.160 -2.685 -10.750 710 HB2 TYR 85 2HB TYR 85 -16.404 -3.598 -9.948 711 HB3 TYR 85 3HB TYR 85 -17.620 -4.476 -10.868 712 HD1 TYR 85 HD1 TYR 85 -18.311 -3.308 -13.149 713 HD2 TYR 85 HD2 TYR 85 -14.643 -2.646 -11.098 714 HE1 TYR 85 HE1 TYR 85 -17.284 -2.540 -15.247 715 HE2 TYR 85 HE2 TYR 85 -13.606 -1.874 -13.191 716 HH TYR 85 HH TYR 85 -14.539 -2.490 -16.041 717 H GLN 86 H GLN 86 -17.683 -4.680 -8.896 718 HA GLN 86 HA GLN 86 -19.474 -4.709 -6.803 719 HB2 GLN 86 2HB GLN 86 -17.916 -6.200 -5.652 720 HB3 GLN 86 3HB GLN 86 -18.019 -6.599 -7.361 721 HG2 GLN 86 2HG GLN 86 -15.929 -5.200 -7.667 722 HG3 GLN 86 3HG GLN 86 -15.791 -5.213 -5.910 723 HE21 GLN 86 1HE2 GLN 86 -15.114 -7.035 -4.881 724 HE22 GLN 86 2HE2 GLN 86 -14.556 -8.448 -5.703 725 H GLN 87 H GLN 87 -16.459 -2.944 -7.093 726 HA GLN 87 HA GLN 87 -16.060 -2.205 -4.441 727 HB2 GLN 87 2HB GLN 87 -15.007 -1.486 -6.979 728 HB3 GLN 87 3HB GLN 87 -15.400 0.003 -6.130 729 HG2 GLN 87 2HG GLN 87 -14.150 -1.429 -4.182 730 HG3 GLN 87 3HG GLN 87 -13.288 -1.951 -5.628 731 HE21 GLN 87 1HE2 GLN 87 -13.518 0.387 -3.258 732 HE22 GLN 87 2HE2 GLN 87 -12.527 1.600 -3.985 733 H LEU 88 H LEU 88 -18.433 -1.143 -6.718 734 HA LEU 88 HA LEU 88 -19.113 1.364 -5.775 735 HB2 LEU 88 2HB LEU 88 -20.146 0.574 -7.745 736 HB3 LEU 88 3HB LEU 88 -20.787 -0.849 -6.926 737 HG LEU 88 HG LEU 88 -22.387 0.525 -5.728 738 HD11 LEU 88 1HD1 LEU 88 -22.595 2.888 -6.085 739 HD12 LEU 88 2HD1 LEU 88 -21.283 2.871 -7.262 740 HD13 LEU 88 3HD1 LEU 88 -20.946 2.539 -5.564 741 HD21 LEU 88 3HD2 LEU 88 -23.077 1.685 -8.226 742 HD22 LEU 88 1HD2 LEU 88 -23.730 0.233 -7.467 743 HD23 LEU 88 2HD2 LEU 88 -22.331 0.117 -8.535 744 H GLU 89 H GLU 89 -19.733 -1.770 -4.380 745 HA GLU 89 HA GLU 89 -21.748 -0.976 -2.551 746 HB2 GLU 89 2HB GLU 89 -20.997 -3.357 -3.302 747 HB3 GLU 89 3HB GLU 89 -19.834 -3.216 -1.992 748 HG2 GLU 89 2HG GLU 89 -21.780 -2.710 -0.475 749 HG3 GLU 89 3HG GLU 89 -22.831 -3.183 -1.810 750 H SER 90 H SER 90 -18.228 -1.139 -2.362 751 HA SER 90 HA SER 90 -18.063 -0.510 0.407 752 HB2 SER 90 2HB SER 90 -16.141 -0.679 -1.867 753 HB3 SER 90 3HB SER 90 -15.640 0.217 -0.433 754 HG SER 90 HG SER 90 -16.527 -2.478 -0.528 755 H ILE 91 H ILE 91 -17.830 1.413 -2.557 756 HA ILE 91 HA ILE 91 -17.218 3.866 -1.287 757 HB ILE 91 HB ILE 91 -18.637 3.524 -3.928 758 HG12 ILE 91 2HG1 ILE 91 -16.613 2.151 -3.901 759 HG13 ILE 91 3HG1 ILE 91 -16.392 3.549 -4.948 760 HG21 ILE 91 1HG2 ILE 91 -18.675 5.759 -3.760 761 HG22 ILE 91 2HG2 ILE 91 -17.472 5.781 -2.472 762 HG23 ILE 91 3HG2 ILE 91 -16.960 5.658 -4.155 763 HD11 ILE 91 3HD1 ILE 91 -14.839 2.708 -2.715 764 HD12 ILE 91 1HD1 ILE 91 -14.545 4.032 -3.842 765 HD13 ILE 91 2HD1 ILE 91 -15.507 4.307 -2.389 766 H TYR 92 H TYR 92 -20.269 2.386 -2.308 767 HA TYR 92 HA TYR 92 -21.911 4.593 -1.638 768 HB2 TYR 92 2HB TYR 92 -22.413 2.473 -3.089 769 HB3 TYR 92 3HB TYR 92 -22.917 1.770 -1.557 770 HD1 TYR 92 HD2 TYR 92 -23.358 5.186 -3.007 771 HD2 TYR 92 HD1 TYR 92 -25.225 1.665 -1.518 772 HE1 TYR 92 HE2 TYR 92 -25.558 6.259 -3.245 773 HE2 TYR 92 HE1 TYR 92 -27.430 2.727 -1.752 774 HH TYR 92 HH TYR 92 -28.373 5.010 -1.847 775 H PHE 93 H PHE 93 -20.847 1.742 0.143 776 HA PHE 93 HA PHE 93 -22.499 2.112 2.403 777 HB2 PHE 93 2HB PHE 93 -21.340 -0.013 1.876 778 HB3 PHE 93 3HB PHE 93 -19.800 0.753 2.254 779 HD1 PHE 93 HD2 PHE 93 -19.238 1.342 4.559 780 HD2 PHE 93 HD1 PHE 93 -22.841 -0.711 3.599 781 HE1 PHE 93 HE2 PHE 93 -19.505 0.713 6.922 782 HE2 PHE 93 HE1 PHE 93 -23.114 -1.343 5.962 783 HZ PHE 93 HZ PHE 93 -21.445 -0.632 7.626 784 H ARG 94 H ARG 94 -19.104 2.995 1.803 785 HA ARG 94 HA ARG 94 -18.687 4.262 4.286 786 HB2 ARG 94 2HB ARG 94 -17.289 4.189 1.665 787 HB3 ARG 94 3HB ARG 94 -16.889 5.516 2.748 788 HG2 ARG 94 2HG ARG 94 -15.452 4.157 3.743 789 HG3 ARG 94 3HG ARG 94 -16.834 3.245 4.355 790 HD2 ARG 94 2HD ARG 94 -16.007 2.656 1.583 791 HD3 ARG 94 3HD ARG 94 -14.879 2.170 2.848 792 HE ARG 94 HE ARG 94 -17.605 1.365 3.320 793 HH11 ARG 94 1HH1 ARG 94 -14.563 0.523 1.850 794 HH12 ARG 94 2HH1 ARG 94 -14.884 -1.180 1.854 795 HH21 ARG 94 1HH2 ARG 94 -18.039 -0.874 3.330 796 HH22 ARG 94 2HH2 ARG 94 -16.862 -1.973 2.695 797 H ILE 95 H ILE 95 -19.953 5.401 1.219 798 HA ILE 95 HA ILE 95 -19.927 8.173 1.962 799 HB ILE 95 HB ILE 95 -21.220 6.683 -0.312 800 HG12 ILE 95 2HG1 ILE 95 -19.091 8.821 -0.372 801 HG13 ILE 95 3HG1 ILE 95 -18.711 7.108 -0.230 802 HG21 ILE 95 1HG2 ILE 95 -21.736 8.965 -1.232 803 HG22 ILE 95 2HG2 ILE 95 -22.723 8.464 0.139 804 HG23 ILE 95 3HG2 ILE 95 -21.402 9.607 0.376 805 HD11 ILE 95 3HD1 ILE 95 -20.048 8.516 -2.521 806 HD12 ILE 95 1HD1 ILE 95 -18.488 7.694 -2.508 807 HD13 ILE 95 2HD1 ILE 95 -19.978 6.761 -2.366 808 H LEU 96 H LEU 96 -22.115 5.511 2.324 809 HA LEU 96 HA LEU 96 -24.354 7.244 3.006 810 HB2 LEU 96 2HB LEU 96 -23.994 4.309 2.599 811 HB3 LEU 96 3HB LEU 96 -25.384 4.894 3.511 812 HG LEU 96 HG LEU 96 -24.723 5.601 0.652 813 HD11 LEU 96 1HD1 LEU 96 -26.933 4.343 0.311 814 HD12 LEU 96 2HD1 LEU 96 -26.626 3.654 1.905 815 HD13 LEU 96 3HD1 LEU 96 -25.472 3.396 0.596 816 HD21 LEU 96 3HD2 LEU 96 -26.848 6.507 2.554 817 HD22 LEU 96 1HD2 LEU 96 -27.163 6.449 0.820 818 HD23 LEU 96 2HD2 LEU 96 -25.859 7.458 1.445 819 H LEU 97 H LEU 97 -21.709 5.890 4.549 820 HA LEU 97 HA LEU 97 -22.484 4.929 6.962 821 HB2 LEU 97 2HB LEU 97 -20.233 6.713 6.157 822 HB3 LEU 97 3HB LEU 97 -20.475 6.350 7.865 823 HG LEU 97 HG LEU 97 -20.055 4.269 5.722 824 HD11 LEU 97 1HD1 LEU 97 -17.802 4.102 6.411 825 HD12 LEU 97 2HD1 LEU 97 -18.062 5.186 7.778 826 HD13 LEU 97 3HD1 LEU 97 -18.105 5.817 6.132 827 HD21 LEU 97 3HD2 LEU 97 -20.056 4.096 8.734 828 HD22 LEU 97 1HD2 LEU 97 -19.668 2.779 7.627 829 HD23 LEU 97 2HD2 LEU 97 -21.296 3.458 7.652 830 HA PRO 98 HA PRO 98 -24.733 7.979 9.178 831 HB2 PRO 98 2HB PRO 98 -23.949 7.469 11.727 832 HB3 PRO 98 3HB PRO 98 -25.027 6.400 10.821 833 HG2 PRO 98 2HG PRO 98 -22.081 6.159 11.298 834 HG3 PRO 98 3HG PRO 98 -23.331 4.903 11.363 835 HD2 PRO 98 2HD PRO 98 -21.698 5.225 9.227 836 HD3 PRO 98 3HD PRO 98 -23.370 4.647 9.072 837 H TYR 99 H TYR 99 -21.287 7.740 9.978 838 HA TYR 99 HA TYR 99 -21.112 10.297 11.203 839 HB2 TYR 99 2HB TYR 99 -18.841 8.783 9.915 840 HB3 TYR 99 3HB TYR 99 -18.748 9.956 11.224 841 HD1 TYR 99 HD1 TYR 99 -19.841 9.333 13.452 842 HD2 TYR 99 HD2 TYR 99 -19.054 6.499 10.378 843 HE1 TYR 99 HE1 TYR 99 -19.994 7.513 15.099 844 HE2 TYR 99 HE2 TYR 99 -19.206 4.671 12.016 845 HH TYR 99 HH TYR 99 -18.885 4.443 14.554 846 H GLU 100 H GLU 100 -20.365 9.101 7.948 847 HA GLU 100 HA GLU 100 -19.394 11.556 6.940 848 HB2 GLU 100 2HB GLU 100 -19.071 9.249 5.935 849 HB3 GLU 100 3HB GLU 100 -20.713 9.380 5.320 850 HG2 GLU 100 2HG GLU 100 -18.848 11.599 4.714 851 HG3 GLU 100 3HG GLU 100 -18.592 10.064 3.886 852 H ARG 101 H ARG 101 -22.583 9.999 6.715 853 HA ARG 101 HA ARG 101 -23.816 12.036 5.212 854 HB2 ARG 101 2HB ARG 101 -25.885 10.970 5.727 855 HB3 ARG 101 3HB ARG 101 -24.682 9.698 5.556 856 HG2 ARG 101 2HG ARG 101 -24.483 9.582 8.003 857 HG3 ARG 101 3HG ARG 101 -25.737 10.816 8.145 858 HD2 ARG 101 2HD ARG 101 -26.961 9.027 6.522 859 HD3 ARG 101 3HD ARG 101 -25.954 7.955 7.494 860 HE ARG 101 HE ARG 101 -27.193 9.640 9.283 861 HH11 ARG 101 1HH1 ARG 101 -28.193 7.339 6.869 862 HH12 ARG 101 2HH1 ARG 101 -29.655 6.911 7.694 863 HH21 ARG 101 1HH2 ARG 101 -29.115 9.085 10.379 864 HH22 ARG 101 2HH2 ARG 101 -30.179 7.906 9.691 865 H HIS 102 H HIS 102 -23.371 11.578 8.668 866 HA HIS 102 HA HIS 102 -25.122 13.663 9.487 867 HB2 HIS 102 2HB HIS 102 -24.533 11.926 11.055 868 HB3 HIS 102 3HB HIS 102 -22.821 12.307 10.903 869 HD1 HIS 102 HD1 HIS 102 -21.913 13.818 12.641 870 HD2 HIS 102 HD2 HIS 102 -26.033 14.192 12.259 871 HE1 HIS 102 HE1 HIS 102 -22.614 15.408 14.458 872 H MET 103 H MET 103 -21.673 13.495 8.768 873 HA MET 103 HA MET 103 -21.020 16.095 9.670 874 HB2 MET 103 2HB MET 103 -19.547 13.991 8.901 875 HB3 MET 103 3HB MET 103 -19.491 14.921 7.410 876 HG2 MET 103 2HG MET 103 -17.608 15.632 8.536 877 HG3 MET 103 3HG MET 103 -18.789 16.884 8.914 878 HE1 MET 103 3HE MET 103 -16.126 16.213 10.027 879 HE2 MET 103 1HE MET 103 -16.278 16.447 11.769 880 HE3 MET 103 2HE MET 103 -16.024 14.829 11.116 881 H ILE 104 H ILE 104 -21.888 14.815 6.477 882 HA ILE 104 HA ILE 104 -21.715 17.400 5.223 883 HB ILE 104 HB ILE 104 -22.488 16.325 3.217 884 HG12 ILE 104 2HG1 ILE 104 -22.775 13.608 4.005 885 HG13 ILE 104 3HG1 ILE 104 -23.802 14.574 5.059 886 HG21 ILE 104 1HG2 ILE 104 -20.753 14.235 4.469 887 HG22 ILE 104 2HG2 ILE 104 -20.689 14.914 2.844 888 HG23 ILE 104 3HG2 ILE 104 -20.143 15.871 4.221 889 HD11 ILE 104 3HD1 ILE 104 -25.123 13.920 3.219 890 HD12 ILE 104 1HD1 ILE 104 -24.747 15.627 2.983 891 HD13 ILE 104 2HD1 ILE 104 -23.879 14.396 2.064 892 H SER 105 H SER 105 -24.059 15.732 7.034 893 HA SER 105 HA SER 105 -26.425 16.721 5.845 894 HB2 SER 105 2HB SER 105 -26.883 14.967 7.272 895 HB3 SER 105 3HB SER 105 -25.715 15.504 8.479 896 HG SER 105 HG SER 105 -27.336 16.388 9.460 897 H GLN 106 H GLN 106 -24.182 18.046 8.177 898 HA GLN 106 HA GLN 106 -25.711 20.084 9.278 899 HB2 GLN 106 2HB GLN 106 -23.010 19.317 9.304 900 HB3 GLN 106 3HB GLN 106 -23.018 20.992 8.768 901 HG2 GLN 106 2HG GLN 106 -23.005 21.447 10.955 902 HG3 GLN 106 3HG GLN 106 -24.735 21.125 10.850 903 HE21 GLN 106 1HE2 GLN 106 -21.631 19.540 11.447 904 HE22 GLN 106 2HE2 GLN 106 -22.237 18.387 12.581 905 H GLU 107 H GLU 107 -24.015 19.943 6.197 906 HA GLU 107 HA GLU 107 -25.123 22.588 5.525 907 HB2 GLU 107 2HB GLU 107 -22.509 21.881 5.452 908 HB3 GLU 107 3HB GLU 107 -22.993 21.460 3.815 909 HG2 GLU 107 2HG GLU 107 -22.124 23.694 3.842 910 HG3 GLU 107 3HG GLU 107 -23.855 23.745 3.509 911 H GLY 108 H GLY 108 -26.348 19.845 5.334 912 HA2 GLY 108 2HA GLY 108 -27.624 20.212 2.818 913 HA3 GLY 108 3HA GLY 108 -26.473 18.887 2.738 914 H ILE 109 H ILE 109 -28.704 19.950 5.299 915 HA ILE 109 HA ILE 109 -29.386 17.387 6.150 916 HB ILE 109 HB ILE 109 -31.457 18.490 7.105 917 HG12 ILE 109 2HG1 ILE 109 -30.164 21.032 6.115 918 HG13 ILE 109 3HG1 ILE 109 -31.508 20.259 5.282 919 HG21 ILE 109 1HG2 ILE 109 -29.108 18.314 8.149 920 HG22 ILE 109 2HG2 ILE 109 -28.991 20.038 7.804 921 HG23 ILE 109 3HG2 ILE 109 -30.265 19.436 8.864 922 HD11 ILE 109 3HD1 ILE 109 -32.833 21.495 6.555 923 HD12 ILE 109 1HD1 ILE 109 -32.374 20.445 7.896 924 HD13 ILE 109 2HD1 ILE 109 -31.505 21.956 7.620 925 H LYS 110 H LYS 110 -30.491 19.202 3.431 926 HA LYS 110 HA LYS 110 -32.996 18.066 2.975 927 HB2 LYS 110 2HB LYS 110 -30.994 19.516 1.398 928 HB3 LYS 110 3HB LYS 110 -31.985 18.422 0.442 929 HG2 LYS 110 2HG LYS 110 -32.963 20.625 0.459 930 HG3 LYS 110 3HG LYS 110 -34.005 19.500 1.334 931 HD2 LYS 110 2HD LYS 110 -33.003 20.305 3.458 932 HD3 LYS 110 3HD LYS 110 -32.092 21.502 2.534 933 HE2 LYS 110 2HE LYS 110 -34.365 22.255 1.629 934 HE3 LYS 110 3HE LYS 110 -35.061 21.306 2.942 935 HZ1 LYS 110 3HZ LYS 110 -32.979 22.991 3.889 936 HZ2 LYS 110 1HZ LYS 110 -34.595 22.906 4.382 937 HZ3 LYS 110 2HZ LYS 110 -34.159 23.897 3.083 938 H GLU 111 H GLU 111 -29.816 16.749 2.574 939 HA GLU 111 HA GLU 111 -30.577 14.621 0.814 940 HB2 GLU 111 2HB GLU 111 -28.144 15.598 2.045 941 HB3 GLU 111 3HB GLU 111 -28.247 13.846 2.155 942 HG2 GLU 111 2HG GLU 111 -28.347 13.597 -0.178 943 HG3 GLU 111 3HG GLU 111 -28.685 15.309 -0.426 944 H THR 112 H THR 112 -30.591 15.131 4.236 945 HA THR 112 HA THR 112 -30.596 12.431 5.079 946 HB THR 112 HB THR 112 -31.932 14.723 6.520 947 HG1 THR 112 HG1 THR 112 -29.231 13.934 6.869 948 HG21 THR 112 3HG2 THR 112 -31.196 11.959 7.184 949 HG22 THR 112 1HG2 THR 112 -32.399 13.019 7.918 950 HG23 THR 112 2HG2 THR 112 -30.702 13.156 8.381 951 H GLN 113 H GLN 113 -33.249 14.740 4.524 952 HA GLN 113 HA GLN 113 -35.343 12.974 5.145 953 HB2 GLN 113 2HB GLN 113 -35.127 15.638 4.402 954 HB3 GLN 113 3HB GLN 113 -36.019 14.908 3.073 955 HG2 GLN 113 2HG GLN 113 -37.819 14.379 4.385 956 HG3 GLN 113 3HG GLN 113 -36.861 14.316 5.864 957 HE21 GLN 113 1HE2 GLN 113 -36.833 16.039 7.152 958 HE22 GLN 113 2HE2 GLN 113 -37.507 17.582 6.768 959 H ALA 114 H ALA 114 -33.329 13.243 2.368 960 HA ALA 114 HA ALA 114 -35.083 12.020 0.485 961 HB1 ALA 114 1HB ALA 114 -33.185 11.893 -0.964 962 HB2 ALA 114 2HB ALA 114 -33.119 13.436 -0.111 963 HB3 ALA 114 3HB ALA 114 -32.073 12.106 0.388 964 H LYS 115 H LYS 115 -32.922 10.835 2.929 965 HA LYS 115 HA LYS 115 -33.350 8.080 1.976 966 HB2 LYS 115 2HB LYS 115 -31.151 9.228 3.702 967 HB3 LYS 115 3HB LYS 115 -31.366 7.509 3.400 968 HG2 LYS 115 2HG LYS 115 -29.986 7.798 1.682 969 HG3 LYS 115 3HG LYS 115 -31.348 8.574 0.869 970 HD2 LYS 115 2HD LYS 115 -30.516 10.675 1.188 971 HD3 LYS 115 3HD LYS 115 -29.703 10.242 2.693 972 HE2 LYS 115 2HE LYS 115 -27.845 10.359 1.426 973 HE3 LYS 115 3HE LYS 115 -28.317 8.734 0.933 974 HZ1 LYS 115 3HZ LYS 115 -29.351 9.606 -1.017 975 HZ2 LYS 115 1HZ LYS 115 -27.783 10.235 -0.939 976 HZ3 LYS 115 2HZ LYS 115 -29.104 11.202 -0.515 977 H ARG 116 H ARG 116 -33.465 6.431 3.747 978 HA ARG 116 HA ARG 116 -35.278 7.409 5.824 979 HB2 ARG 116 2HB ARG 116 -35.816 4.992 6.137 980 HB3 ARG 116 3HB ARG 116 -36.156 5.593 4.519 981 HG2 ARG 116 2HG ARG 116 -34.884 4.014 3.641 982 HG3 ARG 116 3HG ARG 116 -33.496 4.585 4.570 983 HD2 ARG 116 2HD ARG 116 -34.027 3.163 6.397 984 HD3 ARG 116 3HD ARG 116 -35.607 2.774 5.718 985 HE ARG 116 HE ARG 116 -33.825 1.919 3.836 986 HH11 ARG 116 1HH1 ARG 116 -34.309 1.307 7.228 987 HH12 ARG 116 2HH1 ARG 116 -33.684 -0.308 7.159 988 HH21 ARG 116 1HH2 ARG 116 -33.001 -0.205 3.732 989 HH22 ARG 116 2HH2 ARG 116 -32.940 -1.167 5.170 Start of MODEL 5 1 H1 GLN 1 H GLN 1 0.499 -0.697 -4.023 2 HA GLN 1 HA GLN 1 -0.176 1.371 -4.726 3 HB2 GLN 1 2HB GLN 1 -2.702 0.323 -3.553 4 HB3 GLN 1 3HB GLN 1 -2.584 2.057 -3.817 5 HG2 GLN 1 2HG GLN 1 -3.146 1.742 -5.927 6 HG3 GLN 1 3HG GLN 1 -1.654 0.834 -6.167 7 HE21 GLN 1 1HE2 GLN 1 -2.094 -0.950 -7.235 8 HE22 GLN 1 2HE2 GLN 1 -3.418 -2.018 -6.936 9 H SER 2 H SER 2 1.177 2.718 -3.703 10 HA SER 2 HA SER 2 0.331 3.754 -1.087 11 HB2 SER 2 2HB SER 2 3.247 3.354 -1.706 12 HB3 SER 2 3HB SER 2 2.470 3.578 -0.139 13 HG SER 2 HG SER 2 2.176 1.506 -0.023 14 H LEU 3 H LEU 3 -0.001 4.798 -3.774 15 HA LEU 3 HA LEU 3 0.823 7.469 -3.314 16 HB2 LEU 3 2HB LEU 3 2.627 5.770 -4.791 17 HB3 LEU 3 3HB LEU 3 2.049 7.097 -5.797 18 HG LEU 3 HG LEU 3 2.829 8.162 -3.275 19 HD11 LEU 3 1HD1 LEU 3 5.244 6.976 -4.475 20 HD12 LEU 3 2HD1 LEU 3 4.209 5.872 -3.571 21 HD13 LEU 3 3HD1 LEU 3 4.857 7.312 -2.787 22 HD21 LEU 3 3HD2 LEU 3 3.638 8.405 -6.134 23 HD22 LEU 3 1HD2 LEU 3 4.640 9.150 -4.889 24 HD23 LEU 3 2HD2 LEU 3 2.946 9.613 -5.051 25 H ASN 4 H ASN 4 -0.480 8.836 -4.397 26 HA ASN 4 HA ASN 4 -2.696 7.867 -5.817 27 HB2 ASN 4 2HB ASN 4 -2.940 10.349 -6.481 28 HB3 ASN 4 3HB ASN 4 -3.003 9.944 -4.769 29 HD21 ASN 4 1HD2 ASN 4 -2.164 11.639 -3.767 30 HD22 ASN 4 2HD2 ASN 4 -0.630 12.353 -4.115 31 HA PRO 5 HA PRO 5 -1.376 7.483 -9.985 32 HB2 PRO 5 2HB PRO 5 -3.559 8.358 -11.342 33 HB3 PRO 5 3HB PRO 5 -3.515 6.811 -10.487 34 HG2 PRO 5 2HG PRO 5 -4.682 9.426 -9.615 35 HG3 PRO 5 3HG PRO 5 -5.354 7.793 -9.457 36 HD2 PRO 5 2HD PRO 5 -4.136 9.072 -7.404 37 HD3 PRO 5 3HD PRO 5 -4.072 7.309 -7.603 38 H ALA 6 H ALA 6 -2.633 10.600 -8.965 39 HA ALA 6 HA ALA 6 -2.206 12.738 -9.628 40 HB1 ALA 6 1HB ALA 6 0.206 13.055 -10.506 41 HB2 ALA 6 2HB ALA 6 -0.036 12.500 -8.849 42 HB3 ALA 6 3HB ALA 6 0.399 11.347 -10.110 43 H LEU 7 H LEU 7 -3.546 11.048 -11.538 44 HA LEU 7 HA LEU 7 -2.527 12.074 -14.096 45 HB2 LEU 7 2HB LEU 7 -4.286 9.766 -13.358 46 HB3 LEU 7 3HB LEU 7 -4.308 10.424 -14.993 47 HG LEU 7 HG LEU 7 -1.690 9.630 -13.813 48 HD11 LEU 7 1HD1 LEU 7 -2.263 7.511 -13.512 49 HD12 LEU 7 2HD1 LEU 7 -2.674 7.407 -15.223 50 HD13 LEU 7 3HD1 LEU 7 -3.912 7.842 -14.045 51 HD21 LEU 7 3HD2 LEU 7 -2.339 10.691 -16.174 52 HD22 LEU 7 1HD2 LEU 7 -2.549 8.986 -16.572 53 HD23 LEU 7 2HD2 LEU 7 -0.996 9.566 -15.971 54 H GLN 8 H GLN 8 -5.451 11.839 -12.118 55 HA GLN 8 HA GLN 8 -6.496 14.199 -13.504 56 HB2 GLN 8 2HB GLN 8 -7.893 11.563 -13.154 57 HB3 GLN 8 3HB GLN 8 -8.811 13.058 -13.284 58 HG2 GLN 8 2HG GLN 8 -8.715 12.861 -15.481 59 HG3 GLN 8 3HG GLN 8 -6.974 13.119 -15.388 60 HE21 GLN 8 1HE2 GLN 8 -6.184 11.740 -16.840 61 HE22 GLN 8 2HE2 GLN 8 -6.474 10.037 -16.858 62 H GLU 9 H GLU 9 -5.214 14.103 -11.015 63 HA GLU 9 HA GLU 9 -7.418 14.405 -9.093 64 HB2 GLU 9 2HB GLU 9 -4.468 14.281 -8.468 65 HB3 GLU 9 3HB GLU 9 -5.809 14.129 -7.341 66 HG2 GLU 9 2HG GLU 9 -6.373 12.095 -8.999 67 HG3 GLU 9 3HG GLU 9 -4.617 12.137 -9.151 68 H LYS 10 H LYS 10 -6.906 16.392 -11.081 69 HA LYS 10 HA LYS 10 -5.342 18.533 -10.209 70 HB2 LYS 10 2HB LYS 10 -7.932 18.688 -11.761 71 HB3 LYS 10 3HB LYS 10 -6.676 19.917 -11.704 72 HG2 LYS 10 2HG LYS 10 -5.681 17.317 -12.550 73 HG3 LYS 10 3HG LYS 10 -6.938 17.962 -13.609 74 HD2 LYS 10 2HD LYS 10 -4.871 18.752 -14.461 75 HD3 LYS 10 3HD LYS 10 -5.629 20.122 -13.644 76 HE2 LYS 10 2HE LYS 10 -3.884 18.469 -11.952 77 HE3 LYS 10 3HE LYS 10 -3.063 19.320 -13.260 78 HZ1 LYS 10 3HZ LYS 10 -4.273 21.362 -12.436 79 HZ2 LYS 10 1HZ LYS 10 -3.037 20.773 -11.441 80 HZ3 LYS 10 2HZ LYS 10 -4.655 20.474 -11.048 81 H ILE 11 H ILE 11 -5.508 19.106 -8.095 82 HA ILE 11 HA ILE 11 -8.107 19.538 -6.882 83 HB ILE 11 HB ILE 11 -6.294 18.513 -5.566 84 HG12 ILE 11 2HG1 ILE 11 -6.564 19.902 -3.552 85 HG13 ILE 11 3HG1 ILE 11 -7.151 21.231 -4.546 86 HG21 ILE 11 1HG2 ILE 11 -4.627 20.248 -6.742 87 HG22 ILE 11 2HG2 ILE 11 -4.893 21.090 -5.216 88 HG23 ILE 11 3HG2 ILE 11 -4.261 19.443 -5.216 89 HD11 ILE 11 3HD1 ILE 11 -9.139 20.091 -5.069 90 HD12 ILE 11 1HD1 ILE 11 -8.513 18.560 -4.455 91 HD13 ILE 11 2HD1 ILE 11 -8.893 19.871 -3.337 92 H SER 12 H SER 12 -9.049 21.462 -6.481 93 HA SER 12 HA SER 12 -9.473 23.697 -6.528 94 HB2 SER 12 2HB SER 12 -6.530 24.282 -6.681 95 HB3 SER 12 3HB SER 12 -7.800 25.185 -5.855 96 HG SER 12 HG SER 12 -6.338 22.999 -5.008 97 H THR 13 H THR 13 -10.349 24.445 -8.331 98 HA THR 13 HA THR 13 -8.819 24.371 -10.826 99 HB THR 13 HB THR 13 -11.763 24.870 -10.347 100 HG1 THR 13 HG1 THR 13 -10.363 22.647 -11.461 101 HG21 THR 13 3HG2 THR 13 -10.055 25.210 -12.717 102 HG22 THR 13 1HG2 THR 13 -11.631 25.909 -12.346 103 HG23 THR 13 2HG2 THR 13 -11.522 24.269 -12.987 104 H GLU 14 H GLU 14 -11.246 26.641 -9.534 105 HA GLU 14 HA GLU 14 -9.691 28.846 -10.670 106 HB2 GLU 14 2HB GLU 14 -12.548 28.396 -10.049 107 HB3 GLU 14 3HB GLU 14 -11.954 30.029 -9.784 108 HG2 GLU 14 2HG GLU 14 -11.619 28.524 -12.364 109 HG3 GLU 14 3HG GLU 14 -12.953 29.626 -12.029 110 H LEU 15 H LEU 15 -9.680 27.261 -7.879 111 HA LEU 15 HA LEU 15 -8.712 27.784 -5.868 112 HB2 LEU 15 2HB LEU 15 -7.825 29.807 -7.376 113 HB3 LEU 15 3HB LEU 15 -8.871 30.712 -6.284 114 HG LEU 15 HG LEU 15 -7.552 29.525 -4.405 115 HD11 LEU 15 1HD1 LEU 15 -6.410 28.170 -6.445 116 HD12 LEU 15 2HD1 LEU 15 -5.655 28.414 -4.870 117 HD13 LEU 15 3HD1 LEU 15 -5.240 29.471 -6.219 118 HD21 LEU 15 3HD2 LEU 15 -5.585 31.239 -4.949 119 HD22 LEU 15 1HD2 LEU 15 -7.176 31.763 -4.398 120 HD23 LEU 15 2HD2 LEU 15 -6.777 31.816 -6.115 121 H ASN 16 H ASN 16 -11.643 28.895 -7.043 122 HA ASN 16 HA ASN 16 -12.561 29.903 -4.457 123 HB2 ASN 16 2HB ASN 16 -13.138 30.673 -7.045 124 HB3 ASN 16 3HB ASN 16 -14.553 29.727 -6.594 125 HD21 ASN 16 1HD2 ASN 16 -16.122 30.918 -5.822 126 HD22 ASN 16 2HD2 ASN 16 -15.951 32.347 -4.866 127 H ASN 17 H ASN 17 -13.314 27.370 -6.823 128 HA ASN 17 HA ASN 17 -15.325 26.169 -5.167 129 HB2 ASN 17 2HB ASN 17 -13.959 24.752 -7.437 130 HB3 ASN 17 3HB ASN 17 -15.631 24.624 -6.898 131 HD21 ASN 17 1HD2 ASN 17 -13.972 25.522 -9.417 132 HD22 ASN 17 2HD2 ASN 17 -14.875 26.888 -9.970 133 H LYS 18 H LYS 18 -11.910 25.960 -5.421 134 HA LYS 18 HA LYS 18 -11.341 23.379 -4.625 135 HB2 LYS 18 2HB LYS 18 -9.221 24.170 -3.918 136 HB3 LYS 18 3HB LYS 18 -9.706 25.211 -5.251 137 HG2 LYS 18 2HG LYS 18 -9.014 26.817 -3.825 138 HG3 LYS 18 3HG LYS 18 -10.669 26.659 -3.231 139 HD2 LYS 18 2HD LYS 18 -9.416 24.732 -1.791 140 HD3 LYS 18 3HD LYS 18 -8.119 25.917 -1.963 141 HE2 LYS 18 2HE LYS 18 -10.816 26.896 -1.188 142 HE3 LYS 18 3HE LYS 18 -9.875 26.026 0.022 143 HZ1 LYS 18 3HZ LYS 18 -8.098 27.784 -1.062 144 HZ2 LYS 18 1HZ LYS 18 -8.900 27.969 0.416 145 HZ3 LYS 18 2HZ LYS 18 -9.530 28.682 -0.982 146 H GLN 19 H GLN 19 -12.528 26.067 -2.725 147 HA GLN 19 HA GLN 19 -12.035 24.942 -0.170 148 HB2 GLN 19 2HB GLN 19 -12.789 27.386 -1.005 149 HB3 GLN 19 3HB GLN 19 -14.354 26.756 -0.509 150 HG2 GLN 19 2HG GLN 19 -13.451 26.273 1.712 151 HG3 GLN 19 3HG GLN 19 -11.891 26.924 1.213 152 HE21 GLN 19 1HE2 GLN 19 -11.535 29.032 1.442 153 HE22 GLN 19 2HE2 GLN 19 -12.729 30.207 1.866 154 H TYR 20 H TYR 20 -14.892 24.979 -2.274 155 HA TYR 20 HA TYR 20 -16.534 23.503 -0.482 156 HB2 TYR 20 2HB TYR 20 -16.751 24.080 -3.438 157 HB3 TYR 20 3HB TYR 20 -17.970 23.175 -2.547 158 HD1 TYR 20 HD2 TYR 20 -16.284 26.466 -2.782 159 HD2 TYR 20 HD1 TYR 20 -19.605 24.288 -1.256 160 HE1 TYR 20 HE2 TYR 20 -17.360 28.578 -2.125 161 HE2 TYR 20 HE1 TYR 20 -20.691 26.393 -0.595 162 HH TYR 20 HH TYR 20 -20.600 28.802 -1.274 163 H GLU 21 H GLU 21 -14.669 22.615 -3.370 164 HA GLU 21 HA GLU 21 -15.389 19.904 -3.432 165 HB2 GLU 21 2HB GLU 21 -13.208 21.553 -4.587 166 HB3 GLU 21 3HB GLU 21 -12.937 19.817 -4.524 167 HG2 GLU 21 2HG GLU 21 -13.882 20.053 -6.594 168 HG3 GLU 21 3HG GLU 21 -15.297 19.685 -5.610 169 H LEU 22 H LEU 22 -12.644 21.541 -1.891 170 HA LEU 22 HA LEU 22 -11.495 19.161 -0.840 171 HB2 LEU 22 2HB LEU 22 -10.278 21.300 -1.227 172 HB3 LEU 22 3HB LEU 22 -11.146 21.989 0.143 173 HG LEU 22 HG LEU 22 -9.646 19.505 0.686 174 HD11 LEU 22 1HD1 LEU 22 -7.514 20.734 0.886 175 HD12 LEU 22 2HD1 LEU 22 -8.258 22.109 0.072 176 HD13 LEU 22 3HD1 LEU 22 -8.065 20.579 -0.783 177 HD21 LEU 22 3HD2 LEU 22 -9.682 20.290 2.786 178 HD22 LEU 22 1HD2 LEU 22 -10.914 21.397 2.180 179 HD23 LEU 22 2HD2 LEU 22 -9.234 21.923 2.290 180 H PHE 23 H PHE 23 -13.886 21.438 0.306 181 HA PHE 23 HA PHE 23 -13.906 20.848 3.022 182 HB2 PHE 23 2HB PHE 23 -15.690 22.121 1.119 183 HB3 PHE 23 3HB PHE 23 -16.587 21.227 2.342 184 HD1 PHE 23 HD2 PHE 23 -13.378 23.082 2.629 185 HD2 PHE 23 HD1 PHE 23 -17.477 22.834 3.747 186 HE1 PHE 23 HE2 PHE 23 -13.054 24.935 4.215 187 HE2 PHE 23 HE1 PHE 23 -17.160 24.688 5.334 188 HZ PHE 23 HZ PHE 23 -14.946 25.740 5.571 189 H MET 24 H MET 24 -15.802 19.331 0.417 190 HA MET 24 HA MET 24 -16.887 17.336 2.172 191 HB2 MET 24 2HB MET 24 -17.014 17.873 -0.771 192 HB3 MET 24 3HB MET 24 -17.539 16.314 -0.151 193 HG2 MET 24 2HG MET 24 -18.612 18.957 0.801 194 HG3 MET 24 3HG MET 24 -19.361 17.972 -0.454 195 HE1 MET 24 3HE MET 24 -21.502 18.038 2.741 196 HE2 MET 24 1HE MET 24 -21.134 18.768 1.178 197 HE3 MET 24 2HE MET 24 -21.953 17.208 1.251 198 H LYS 25 H LYS 25 -14.161 17.587 0.010 199 HA LYS 25 HA LYS 25 -13.581 14.841 -0.260 200 HB2 LYS 25 2HB LYS 25 -12.621 16.723 -1.636 201 HB3 LYS 25 3HB LYS 25 -11.581 17.104 -0.270 202 HG2 LYS 25 2HG LYS 25 -10.609 14.849 -0.407 203 HG3 LYS 25 3HG LYS 25 -11.615 14.524 -1.821 204 HD2 LYS 25 2HD LYS 25 -9.523 15.155 -2.690 205 HD3 LYS 25 3HD LYS 25 -10.539 16.588 -2.858 206 HE2 LYS 25 2HE LYS 25 -9.566 17.529 -0.833 207 HE3 LYS 25 3HE LYS 25 -8.583 16.082 -0.617 208 HZ1 LYS 25 3HZ LYS 25 -8.116 17.028 -3.192 209 HZ2 LYS 25 1HZ LYS 25 -7.045 17.015 -1.882 210 HZ3 LYS 25 2HZ LYS 25 -8.025 18.365 -2.159 211 H SER 26 H SER 26 -12.327 17.287 1.999 212 HA SER 26 HA SER 26 -10.657 15.502 3.425 213 HB2 SER 26 2HB SER 26 -11.436 18.289 3.598 214 HB3 SER 26 3HB SER 26 -11.362 17.552 5.198 215 HG SER 26 HG SER 26 -9.348 18.481 4.107 216 H LEU 27 H LEU 27 -13.985 16.579 3.889 217 HA LEU 27 HA LEU 27 -14.413 15.431 6.416 218 HB2 LEU 27 2HB LEU 27 -16.062 16.508 4.241 219 HB3 LEU 27 3HB LEU 27 -16.866 15.298 5.240 220 HG LEU 27 HG LEU 27 -16.367 16.670 7.237 221 HD11 LEU 27 1HD1 LEU 27 -15.764 19.051 5.619 222 HD12 LEU 27 2HD1 LEU 27 -14.466 17.865 5.742 223 HD13 LEU 27 3HD1 LEU 27 -15.159 18.567 7.203 224 HD21 LEU 27 3HD2 LEU 27 -17.807 18.294 5.154 225 HD22 LEU 27 1HD2 LEU 27 -18.104 18.235 6.891 226 HD23 LEU 27 2HD2 LEU 27 -18.492 16.841 5.883 227 H ILE 28 H ILE 28 -15.089 14.167 3.160 228 HA ILE 28 HA ILE 28 -16.104 11.678 4.014 229 HB ILE 28 HB ILE 28 -14.841 12.487 1.396 230 HG12 ILE 28 2HG1 ILE 28 -16.982 13.595 2.043 231 HG13 ILE 28 3HG1 ILE 28 -17.112 12.620 0.584 232 HG21 ILE 28 1HG2 ILE 28 -16.008 10.413 0.530 233 HG22 ILE 28 2HG2 ILE 28 -14.561 10.147 1.502 234 HG23 ILE 28 3HG2 ILE 28 -16.157 9.911 2.214 235 HD11 ILE 28 3HD1 ILE 28 -18.115 10.814 1.911 236 HD12 ILE 28 1HD1 ILE 28 -18.035 11.844 3.340 237 HD13 ILE 28 2HD1 ILE 28 -19.052 12.306 1.975 238 H GLU 29 H GLU 29 -12.855 12.703 3.029 239 HA GLU 29 HA GLU 29 -11.652 10.157 3.205 240 HB2 GLU 29 2HB GLU 29 -10.758 12.936 2.905 241 HB3 GLU 29 3HB GLU 29 -9.608 11.905 3.745 242 HG2 GLU 29 2HG GLU 29 -10.729 11.538 0.983 243 HG3 GLU 29 3HG GLU 29 -9.059 11.867 1.440 244 H ASN 30 H ASN 30 -12.132 12.738 5.555 245 HA ASN 30 HA ASN 30 -10.510 11.693 7.603 246 HB2 ASN 30 2HB ASN 30 -11.495 14.025 7.473 247 HB3 ASN 30 3HB ASN 30 -13.019 13.324 8.011 248 HD21 ASN 30 1HD2 ASN 30 -13.182 14.245 9.973 249 HD22 ASN 30 2HD2 ASN 30 -12.054 14.007 11.260 250 H CYS 31 H CYS 31 -14.033 11.454 7.115 251 HA CYS 31 HA CYS 31 -14.456 9.686 9.286 252 HB2 CYS 31 2HB CYS 31 -16.194 10.026 6.836 253 HB3 CYS 31 3HB CYS 31 -16.690 9.407 8.406 254 HG CYS 31 HG CYS 31 -15.439 12.335 8.974 255 H LYS 32 H LYS 32 -14.013 9.177 5.812 256 HA LYS 32 HA LYS 32 -14.453 6.393 5.819 257 HB2 LYS 32 2HB LYS 32 -14.535 7.568 3.739 258 HB3 LYS 32 3HB LYS 32 -12.902 8.186 3.952 259 HG2 LYS 32 2HG LYS 32 -11.924 6.161 3.419 260 HG3 LYS 32 3HG LYS 32 -13.383 5.242 3.794 261 HD2 LYS 32 2HD LYS 32 -13.275 5.220 1.457 262 HD3 LYS 32 3HD LYS 32 -14.444 6.491 1.822 263 HE2 LYS 32 2HE LYS 32 -12.732 8.185 1.512 264 HE3 LYS 32 3HE LYS 32 -11.520 6.937 1.229 265 HZ1 LYS 32 3HZ LYS 32 -12.751 8.146 -0.740 266 HZ2 LYS 32 1HZ LYS 32 -13.895 6.928 -0.473 267 HZ3 LYS 32 2HZ LYS 32 -12.297 6.519 -0.846 268 H LYS 33 H LYS 33 -11.589 8.349 6.385 269 HA LYS 33 HA LYS 33 -9.646 6.343 6.258 270 HB2 LYS 33 2HB LYS 33 -9.850 9.037 7.462 271 HB3 LYS 33 3HB LYS 33 -8.620 7.984 8.148 272 HG2 LYS 33 2HG LYS 33 -8.362 7.738 5.373 273 HG3 LYS 33 3HG LYS 33 -8.594 9.459 5.689 274 HD2 LYS 33 2HD LYS 33 -6.678 7.910 7.374 275 HD3 LYS 33 3HD LYS 33 -6.195 8.401 5.749 276 HE2 LYS 33 2HE LYS 33 -6.707 10.730 6.308 277 HE3 LYS 33 3HE LYS 33 -7.185 10.236 7.931 278 HZ1 LYS 33 3HZ LYS 33 -4.796 11.120 7.472 279 HZ2 LYS 33 1HZ LYS 33 -4.504 9.533 6.964 280 HZ3 LYS 33 2HZ LYS 33 -5.033 9.831 8.542 281 H ARG 34 H ARG 34 -12.088 6.949 8.594 282 HA ARG 34 HA ARG 34 -10.761 5.409 10.675 283 HB2 ARG 34 2HB ARG 34 -13.314 6.974 10.511 284 HB3 ARG 34 3HB ARG 34 -13.075 5.814 11.810 285 HG2 ARG 34 2HG ARG 34 -10.871 7.060 12.241 286 HG3 ARG 34 3HG ARG 34 -11.570 8.337 11.244 287 HD2 ARG 34 2HD ARG 34 -13.476 8.493 12.738 288 HD3 ARG 34 3HD ARG 34 -12.852 7.158 13.706 289 HE ARG 34 HE ARG 34 -11.377 8.606 14.706 290 HH11 ARG 34 1HH1 ARG 34 -12.790 10.126 11.911 291 HH12 ARG 34 2HH1 ARG 34 -12.144 11.692 12.274 292 HH21 ARG 34 1HH2 ARG 34 -10.520 10.662 15.195 293 HH22 ARG 34 2HH2 ARG 34 -10.852 11.996 14.142 294 H ASN 35 H ASN 35 -12.120 4.525 7.932 295 HA ASN 35 HA ASN 35 -13.422 2.155 9.103 296 HB2 ASN 35 2HB ASN 35 -15.039 3.627 7.944 297 HB3 ASN 35 3HB ASN 35 -14.092 3.482 6.467 298 HD21 ASN 35 1HD2 ASN 35 -16.027 1.713 8.798 299 HD22 ASN 35 2HD2 ASN 35 -16.468 0.425 7.734 300 H MET 36 H MET 36 -11.874 3.296 6.097 301 HA MET 36 HA MET 36 -9.981 1.159 6.118 302 HB2 MET 36 2HB MET 36 -12.480 0.861 4.597 303 HB3 MET 36 3HB MET 36 -11.021 0.571 3.659 304 HG2 MET 36 2HG MET 36 -10.748 -0.768 6.143 305 HG3 MET 36 3HG MET 36 -12.333 -1.155 5.478 306 HE1 MET 36 3HE MET 36 -11.482 -3.533 5.665 307 HE2 MET 36 1HE MET 36 -12.370 -3.544 4.141 308 HE3 MET 36 2HE MET 36 -10.804 -4.347 4.255 309 HA PRO 37 HA PRO 37 -8.758 4.988 3.833 310 HB2 PRO 37 2HB PRO 37 -6.319 5.176 5.010 311 HB3 PRO 37 3HB PRO 37 -7.785 5.855 5.725 312 HG2 PRO 37 2HG PRO 37 -6.391 3.280 6.347 313 HG3 PRO 37 3HG PRO 37 -7.092 4.470 7.460 314 HD2 PRO 37 2HD PRO 37 -8.365 2.177 6.789 315 HD3 PRO 37 3HD PRO 37 -9.235 3.680 7.155 316 H LEU 38 H LEU 38 -7.023 5.284 2.304 317 HA LEU 38 HA LEU 38 -5.770 2.747 1.478 318 HB2 LEU 38 2HB LEU 38 -6.949 4.984 -0.136 319 HB3 LEU 38 3HB LEU 38 -5.778 3.866 -0.833 320 HG LEU 38 HG LEU 38 -8.279 2.838 0.456 321 HD11 LEU 38 1HD1 LEU 38 -9.039 2.807 -2.070 322 HD12 LEU 38 2HD1 LEU 38 -8.009 4.236 -2.151 323 HD13 LEU 38 3HD1 LEU 38 -9.365 4.191 -1.025 324 HD21 LEU 38 3HD2 LEU 38 -6.125 1.546 -0.484 325 HD22 LEU 38 1HD2 LEU 38 -7.074 1.655 -1.967 326 HD23 LEU 38 2HD2 LEU 38 -7.756 0.876 -0.539 327 H GLN 39 H GLN 39 -5.205 5.926 0.099 328 HA GLN 39 HA GLN 39 -2.408 5.738 0.988 329 HB2 GLN 39 2HB GLN 39 -2.581 5.713 -1.408 330 HB3 GLN 39 3HB GLN 39 -3.644 7.113 -1.398 331 HG2 GLN 39 2HG GLN 39 -1.298 7.581 -2.088 332 HG3 GLN 39 3HG GLN 39 -1.880 8.555 -0.738 333 HE21 GLN 39 1HE2 GLN 39 0.250 8.975 -0.097 334 HE22 GLN 39 2HE2 GLN 39 1.203 7.784 0.715 335 H SER 40 H SER 40 -4.716 8.310 0.094 336 HA SER 40 HA SER 40 -4.537 9.628 2.596 337 HB2 SER 40 2HB SER 40 -2.618 10.408 0.476 338 HB3 SER 40 3HB SER 40 -3.446 11.731 1.298 339 HG SER 40 HG SER 40 -1.652 11.300 2.495 340 H ILE 41 H ILE 41 -4.631 10.930 -0.716 341 HA ILE 41 HA ILE 41 -7.452 11.650 -0.260 342 HB ILE 41 HB ILE 41 -5.448 13.325 -1.775 343 HG12 ILE 41 2HG1 ILE 41 -4.964 13.332 0.633 344 HG13 ILE 41 3HG1 ILE 41 -5.589 14.892 0.109 345 HG21 ILE 41 1HG2 ILE 41 -7.181 14.978 -1.900 346 HG22 ILE 41 2HG2 ILE 41 -7.815 13.455 -2.521 347 HG23 ILE 41 3HG2 ILE 41 -8.252 13.996 -0.900 348 HD11 ILE 41 3HD1 ILE 41 -6.545 13.189 2.162 349 HD12 ILE 41 1HD1 ILE 41 -7.138 14.777 1.675 350 HD13 ILE 41 2HD1 ILE 41 -7.792 13.322 0.922 351 HA PRO 42 HA PRO 42 -7.423 9.081 -4.026 352 HB2 PRO 42 2HB PRO 42 -9.989 8.247 -3.719 353 HB3 PRO 42 3HB PRO 42 -8.626 7.490 -2.886 354 HG2 PRO 42 2HG PRO 42 -10.583 9.512 -1.866 355 HG3 PRO 42 3HG PRO 42 -9.948 8.065 -1.061 356 HD2 PRO 42 2HD PRO 42 -9.007 10.550 -0.544 357 HD3 PRO 42 3HD PRO 42 -7.979 9.105 -0.468 358 H GLU 43 H GLU 43 -7.512 10.374 -5.770 359 HA GLU 43 HA GLU 43 -10.015 11.851 -6.252 360 HB2 GLU 43 2HB GLU 43 -7.390 12.899 -6.005 361 HB3 GLU 43 3HB GLU 43 -7.845 13.031 -7.698 362 HG2 GLU 43 2HG GLU 43 -9.665 14.407 -7.228 363 HG3 GLU 43 3HG GLU 43 -9.679 13.960 -5.524 364 H ILE 44 H ILE 44 -10.897 11.718 -8.270 365 HA ILE 44 HA ILE 44 -9.413 10.486 -10.440 366 HB ILE 44 HB ILE 44 -11.882 9.205 -9.270 367 HG12 ILE 44 2HG1 ILE 44 -9.716 8.599 -8.228 368 HG13 ILE 44 3HG1 ILE 44 -10.471 7.236 -9.048 369 HG21 ILE 44 1HG2 ILE 44 -10.922 9.270 -12.000 370 HG22 ILE 44 2HG2 ILE 44 -10.996 7.626 -11.368 371 HG23 ILE 44 3HG2 ILE 44 -12.437 8.643 -11.351 372 HD11 ILE 44 3HD1 ILE 44 -7.871 8.190 -9.364 373 HD12 ILE 44 1HD1 ILE 44 -8.684 6.947 -10.314 374 HD13 ILE 44 2HD1 ILE 44 -8.723 8.629 -10.844 375 H GLY 45 H GLY 45 -9.839 11.639 -12.197 376 HA2 GLY 45 2HA GLY 45 -11.296 12.442 -13.886 377 HA3 GLY 45 3HA GLY 45 -12.589 12.519 -12.698 378 H ASN 46 H ASN 46 -12.551 14.249 -11.133 379 HA ASN 46 HA ASN 46 -10.725 16.362 -11.141 380 HB2 ASN 46 2HB ASN 46 -12.067 16.418 -13.498 381 HB3 ASN 46 3HB ASN 46 -13.130 17.412 -12.505 382 HD21 ASN 46 1HD2 ASN 46 -11.815 18.450 -14.674 383 HD22 ASN 46 2HD2 ASN 46 -10.614 19.571 -14.139 384 H ARG 47 H ARG 47 -12.040 15.004 -9.171 385 HA ARG 47 HA ARG 47 -13.147 15.336 -7.212 386 HB2 ARG 47 2HB ARG 47 -13.386 18.233 -8.026 387 HB3 ARG 47 3HB ARG 47 -13.435 17.570 -6.398 388 HG2 ARG 47 2HG ARG 47 -11.123 17.067 -6.433 389 HG3 ARG 47 3HG ARG 47 -11.016 17.371 -8.168 390 HD2 ARG 47 2HD ARG 47 -11.540 19.394 -5.996 391 HD3 ARG 47 3HD ARG 47 -10.081 19.242 -6.974 392 HE ARG 47 HE ARG 47 -11.980 19.640 -8.833 393 HH11 ARG 47 1HH1 ARG 47 -11.206 21.308 -5.877 394 HH12 ARG 47 2HH1 ARG 47 -11.758 22.848 -6.448 395 HH21 ARG 47 1HH2 ARG 47 -12.710 21.662 -9.596 396 HH22 ARG 47 2HH2 ARG 47 -12.614 23.048 -8.563 397 H LYS 48 H LYS 48 -15.054 14.331 -7.253 398 HA LYS 48 HA LYS 48 -17.379 15.828 -8.219 399 HB2 LYS 48 2HB LYS 48 -16.335 13.333 -9.341 400 HB3 LYS 48 3HB LYS 48 -18.031 13.232 -8.884 401 HG2 LYS 48 2HG LYS 48 -18.295 13.988 -10.998 402 HG3 LYS 48 3HG LYS 48 -18.115 15.547 -10.189 403 HD2 LYS 48 2HD LYS 48 -15.937 15.827 -10.939 404 HD3 LYS 48 3HD LYS 48 -15.707 14.100 -11.222 405 HE2 LYS 48 2HE LYS 48 -17.057 14.154 -13.173 406 HE3 LYS 48 3HE LYS 48 -17.637 15.778 -12.809 407 HZ1 LYS 48 3HZ LYS 48 -15.497 15.111 -14.400 408 HZ2 LYS 48 1HZ LYS 48 -14.801 15.717 -12.982 409 HZ3 LYS 48 2HZ LYS 48 -15.906 16.658 -13.850 410 H ILE 49 H ILE 49 -15.993 14.624 -5.656 411 HA ILE 49 HA ILE 49 -18.164 13.042 -4.567 412 HB ILE 49 HB ILE 49 -15.758 14.078 -3.077 413 HG12 ILE 49 2HG1 ILE 49 -15.302 11.404 -3.691 414 HG13 ILE 49 3HG1 ILE 49 -15.928 12.081 -5.191 415 HG21 ILE 49 1HG2 ILE 49 -17.785 11.922 -2.593 416 HG22 ILE 49 2HG2 ILE 49 -16.210 11.902 -1.801 417 HG23 ILE 49 3HG2 ILE 49 -17.311 13.255 -1.539 418 HD11 ILE 49 3HD1 ILE 49 -14.050 13.923 -4.223 419 HD12 ILE 49 1HD1 ILE 49 -13.327 12.325 -4.040 420 HD13 ILE 49 2HD1 ILE 49 -13.906 12.855 -5.619 421 H ASN 50 H ASN 50 -17.526 16.296 -4.929 422 HA ASN 50 HA ASN 50 -18.536 17.261 -2.431 423 HB2 ASN 50 2HB ASN 50 -17.019 18.618 -3.800 424 HB3 ASN 50 3HB ASN 50 -18.218 18.674 -5.089 425 HD21 ASN 50 1HD2 ASN 50 -18.043 19.294 -1.597 426 HD22 ASN 50 2HD2 ASN 50 -18.931 20.775 -1.645 427 H LEU 51 H LEU 51 -20.538 18.314 -2.065 428 HA LEU 51 HA LEU 51 -22.764 16.999 -3.267 429 HB2 LEU 51 2HB LEU 51 -22.587 17.807 -0.881 430 HB3 LEU 51 3HB LEU 51 -22.845 19.435 -1.503 431 HG LEU 51 HG LEU 51 -24.916 17.675 -2.444 432 HD11 LEU 51 1HD1 LEU 51 -25.017 17.947 0.518 433 HD12 LEU 51 2HD1 LEU 51 -24.112 16.608 -0.186 434 HD13 LEU 51 3HD1 LEU 51 -25.830 16.793 -0.540 435 HD21 LEU 51 3HD2 LEU 51 -25.284 19.994 -2.446 436 HD22 LEU 51 1HD2 LEU 51 -24.759 20.165 -0.771 437 HD23 LEU 51 2HD2 LEU 51 -26.293 19.375 -1.138 438 H PHE 52 H PHE 52 -21.081 19.953 -3.862 439 HA PHE 52 HA PHE 52 -23.251 21.060 -5.458 440 HB2 PHE 52 2HB PHE 52 -21.378 22.273 -3.919 441 HB3 PHE 52 3HB PHE 52 -20.603 22.372 -5.497 442 HD1 PHE 52 HD1 PHE 52 -22.425 23.047 -7.420 443 HD2 PHE 52 HD2 PHE 52 -22.552 24.132 -3.307 444 HE1 PHE 52 HE1 PHE 52 -23.814 24.999 -7.982 445 HE2 PHE 52 HE2 PHE 52 -23.941 26.086 -3.861 446 HZ PHE 52 HZ PHE 52 -24.575 26.521 -6.201 447 H TYR 53 H TYR 53 -20.097 19.575 -5.851 448 HA TYR 53 HA TYR 53 -19.876 20.099 -8.646 449 HB2 TYR 53 2HB TYR 53 -18.031 19.468 -6.907 450 HB3 TYR 53 3HB TYR 53 -18.480 17.812 -7.299 451 HD1 TYR 53 HD1 TYR 53 -18.750 17.510 -10.016 452 HD2 TYR 53 HD2 TYR 53 -16.180 20.252 -8.020 453 HE1 TYR 53 HE1 TYR 53 -17.297 17.582 -11.999 454 HE2 TYR 53 HE2 TYR 53 -14.720 20.332 -9.998 455 HH TYR 53 HH TYR 53 -15.629 19.222 -13.000 456 H LEU 54 H LEU 54 -20.746 17.208 -6.764 457 HA LEU 54 HA LEU 54 -21.260 15.535 -8.962 458 HB2 LEU 54 2HB LEU 54 -21.018 15.006 -6.431 459 HB3 LEU 54 3HB LEU 54 -22.756 15.294 -6.382 460 HG LEU 54 HG LEU 54 -22.185 12.905 -6.543 461 HD11 LEU 54 1HD1 LEU 54 -23.407 13.430 -9.172 462 HD12 LEU 54 2HD1 LEU 54 -24.175 14.210 -7.790 463 HD13 LEU 54 3HD1 LEU 54 -23.987 12.457 -7.820 464 HD21 LEU 54 3HD2 LEU 54 -20.593 12.180 -7.905 465 HD22 LEU 54 1HD2 LEU 54 -20.344 13.829 -8.479 466 HD23 LEU 54 2HD2 LEU 54 -21.492 12.774 -9.303 467 H TYR 55 H TYR 55 -23.308 17.787 -7.189 468 HA TYR 55 HA TYR 55 -25.746 17.028 -8.431 469 HB2 TYR 55 2HB TYR 55 -25.812 18.206 -6.332 470 HB3 TYR 55 3HB TYR 55 -24.921 19.564 -7.009 471 HD1 TYR 55 HD1 TYR 55 -26.020 21.128 -8.551 472 HD2 TYR 55 HD2 TYR 55 -28.175 17.953 -6.712 473 HE1 TYR 55 HE1 TYR 55 -28.138 22.226 -9.151 474 HE2 TYR 55 HE2 TYR 55 -30.298 19.041 -7.308 475 HH TYR 55 HH TYR 55 -30.351 22.160 -9.008 476 H MET 56 H MET 56 -23.484 19.712 -9.011 477 HA MET 56 HA MET 56 -24.861 20.893 -11.137 478 HB2 MET 56 2HB MET 56 -23.033 22.027 -10.010 479 HB3 MET 56 3HB MET 56 -21.893 20.811 -10.569 480 HG2 MET 56 2HG MET 56 -21.499 22.034 -12.361 481 HG3 MET 56 3HG MET 56 -23.177 21.824 -12.856 482 HE1 MET 56 3HE MET 56 -23.456 24.676 -13.984 483 HE2 MET 56 1HE MET 56 -22.031 25.530 -13.393 484 HE3 MET 56 2HE MET 56 -21.880 23.881 -13.999 485 H LEU 57 H LEU 57 -22.527 18.250 -11.077 486 HA LEU 57 HA LEU 57 -22.148 18.027 -13.858 487 HB2 LEU 57 2HB LEU 57 -20.585 16.933 -12.504 488 HB3 LEU 57 3HB LEU 57 -21.837 16.124 -11.563 489 HG LEU 57 HG LEU 57 -21.933 15.320 -14.339 490 HD11 LEU 57 1HD1 LEU 57 -19.851 14.492 -14.738 491 HD12 LEU 57 2HD1 LEU 57 -19.457 14.344 -13.026 492 HD13 LEU 57 3HD1 LEU 57 -19.412 15.924 -13.807 493 HD21 LEU 57 3HD2 LEU 57 -21.481 13.076 -13.091 494 HD22 LEU 57 1HD2 LEU 57 -23.012 13.921 -12.860 495 HD23 LEU 57 2HD2 LEU 57 -21.742 14.049 -11.643 496 H VAL 58 H VAL 58 -24.359 16.319 -11.658 497 HA VAL 58 HA VAL 58 -25.577 14.671 -13.559 498 HB VAL 58 HB VAL 58 -26.831 15.838 -11.070 499 HG11 VAL 58 1HG1 VAL 58 -27.683 13.764 -13.018 500 HG12 VAL 58 2HG1 VAL 58 -28.030 13.489 -11.310 501 HG13 VAL 58 3HG1 VAL 58 -28.646 14.933 -12.115 502 HG21 VAL 58 3HG2 VAL 58 -24.633 14.121 -11.312 503 HG22 VAL 58 1HG2 VAL 58 -25.564 14.474 -9.856 504 HG23 VAL 58 2HG2 VAL 58 -25.995 13.093 -10.866 505 H GLN 59 H GLN 59 -26.588 17.862 -12.349 506 HA GLN 59 HA GLN 59 -28.896 18.109 -13.913 507 HB2 GLN 59 2HB GLN 59 -27.731 19.613 -11.973 508 HB3 GLN 59 3HB GLN 59 -27.394 20.595 -13.393 509 HG2 GLN 59 2HG GLN 59 -30.044 19.939 -13.706 510 HG3 GLN 59 3HG GLN 59 -29.886 20.165 -11.965 511 HE21 GLN 59 1HE2 GLN 59 -28.835 22.183 -11.266 512 HE22 GLN 59 2HE2 GLN 59 -29.127 23.618 -12.183 513 H LYS 60 H LYS 60 -25.528 18.796 -14.620 514 HA LYS 60 HA LYS 60 -25.987 20.201 -17.047 515 HB2 LYS 60 2HB LYS 60 -23.698 19.219 -15.536 516 HB3 LYS 60 3HB LYS 60 -23.470 19.048 -17.272 517 HG2 LYS 60 2HG LYS 60 -24.372 21.633 -16.050 518 HG3 LYS 60 3HG LYS 60 -22.665 21.201 -16.173 519 HD2 LYS 60 2HD LYS 60 -22.627 21.828 -18.306 520 HD3 LYS 60 3HD LYS 60 -23.946 20.719 -18.685 521 HE2 LYS 60 2HE LYS 60 -25.027 22.627 -19.221 522 HE3 LYS 60 3HE LYS 60 -25.326 22.692 -17.485 523 HZ1 LYS 60 3HZ LYS 60 -22.814 23.855 -18.270 524 HZ2 LYS 60 1HZ LYS 60 -24.023 24.472 -17.260 525 HZ3 LYS 60 2HZ LYS 60 -24.154 24.643 -18.937 526 H PHE 61 H PHE 61 -25.513 16.815 -16.230 527 HA PHE 61 HA PHE 61 -25.301 15.939 -18.950 528 HB2 PHE 61 2HB PHE 61 -25.221 14.722 -16.293 529 HB3 PHE 61 3HB PHE 61 -26.046 13.720 -17.482 530 HD1 PHE 61 HD2 PHE 61 -24.855 12.831 -19.403 531 HD2 PHE 61 HD1 PHE 61 -22.867 15.180 -16.463 532 HE1 PHE 61 HE2 PHE 61 -22.682 12.068 -20.268 533 HE2 PHE 61 HE1 PHE 61 -20.690 14.422 -17.324 534 HZ PHE 61 HZ PHE 61 -20.596 12.862 -19.228 535 H GLY 62 H GLY 62 -27.860 17.019 -17.094 536 HA2 GLY 62 2HA GLY 62 -30.035 17.283 -18.035 537 HA3 GLY 62 3HA GLY 62 -29.767 15.827 -18.983 538 H GLY 63 H GLY 63 -28.864 15.747 -15.658 539 HA2 GLY 63 2HA GLY 63 -30.056 14.986 -13.780 540 HA3 GLY 63 3HA GLY 63 -31.427 14.633 -14.822 541 H ALA 64 H ALA 64 -30.355 12.914 -12.809 542 HA ALA 64 HA ALA 64 -28.621 10.943 -13.651 543 HB1 ALA 64 1HB ALA 64 -29.682 11.202 -11.376 544 HB2 ALA 64 2HB ALA 64 -31.093 10.373 -12.034 545 HB3 ALA 64 3HB ALA 64 -29.534 9.549 -11.973 546 H ASP 65 H ASP 65 -31.974 11.438 -14.519 547 HA ASP 65 HA ASP 65 -32.491 8.909 -15.644 548 HB2 ASP 65 2HB ASP 65 -33.678 11.594 -16.378 549 HB3 ASP 65 3HB ASP 65 -34.345 10.025 -16.819 550 H GLN 66 H GLN 66 -31.038 11.833 -16.955 551 HA GLN 66 HA GLN 66 -30.995 10.980 -19.661 552 HB2 GLN 66 2HB GLN 66 -30.680 13.357 -18.652 553 HB3 GLN 66 3HB GLN 66 -28.990 12.892 -18.511 554 HG2 GLN 66 2HG GLN 66 -28.622 13.249 -20.666 555 HG3 GLN 66 3HG GLN 66 -30.029 12.297 -21.137 556 HE21 GLN 66 1HE2 GLN 66 -32.138 13.592 -20.306 557 HE22 GLN 66 2HE2 GLN 66 -32.215 15.200 -20.934 558 H VAL 67 H VAL 67 -28.745 10.670 -16.972 559 HA VAL 67 HA VAL 67 -26.554 9.683 -18.467 560 HB VAL 67 HB VAL 67 -27.156 9.087 -15.570 561 HG11 VAL 67 1HG1 VAL 67 -25.063 8.300 -17.278 562 HG12 VAL 67 2HG1 VAL 67 -24.398 9.525 -16.196 563 HG13 VAL 67 3HG1 VAL 67 -25.174 8.087 -15.531 564 HG21 VAL 67 3HG2 VAL 67 -26.119 11.553 -16.900 565 HG22 VAL 67 1HG2 VAL 67 -27.262 11.391 -15.567 566 HG23 VAL 67 2HG2 VAL 67 -25.542 11.118 -15.292 567 H THR 68 H THR 68 -29.325 8.145 -16.951 568 HA THR 68 HA THR 68 -28.333 5.477 -17.493 569 HB THR 68 HB THR 68 -29.642 5.858 -15.459 570 HG1 THR 68 HG1 THR 68 -29.916 3.798 -16.063 571 HG21 THR 68 3HG2 THR 68 -31.100 7.643 -16.320 572 HG22 THR 68 1HG2 THR 68 -32.028 6.346 -15.568 573 HG23 THR 68 2HG2 THR 68 -31.939 6.463 -17.326 574 H ARG 69 H ARG 69 -30.481 7.807 -18.931 575 HA ARG 69 HA ARG 69 -32.040 6.179 -20.557 576 HB2 ARG 69 2HB ARG 69 -32.354 8.627 -20.245 577 HB3 ARG 69 3HB ARG 69 -30.945 8.907 -21.260 578 HG2 ARG 69 2HG ARG 69 -32.322 7.418 -22.957 579 HG3 ARG 69 3HG ARG 69 -33.676 8.023 -22.000 580 HD2 ARG 69 2HD ARG 69 -31.607 9.940 -22.966 581 HD3 ARG 69 3HD ARG 69 -32.815 9.339 -24.102 582 HE ARG 69 HE ARG 69 -34.060 10.258 -21.735 583 HH11 ARG 69 1HH1 ARG 69 -32.476 11.401 -24.616 584 HH12 ARG 69 2HH1 ARG 69 -33.330 12.908 -24.645 585 HH21 ARG 69 1HH2 ARG 69 -35.191 12.238 -21.761 586 HH22 ARG 69 2HH2 ARG 69 -34.874 13.384 -23.020 587 H THR 70 H THR 70 -28.806 7.501 -21.120 588 HA THR 70 HA THR 70 -28.627 5.988 -23.625 589 HB THR 70 HB THR 70 -26.249 7.338 -23.419 590 HG1 THR 70 HG1 THR 70 -28.233 9.159 -22.520 591 HG21 THR 70 3HG2 THR 70 -28.870 8.017 -24.710 592 HG22 THR 70 1HG2 THR 70 -27.396 7.394 -25.451 593 HG23 THR 70 2HG2 THR 70 -27.467 9.068 -24.901 594 H GLN 71 H GLN 71 -28.182 5.289 -20.538 595 HA GLN 71 HA GLN 71 -26.906 3.831 -19.343 596 HB2 GLN 71 2HB GLN 71 -27.677 2.385 -21.263 597 HB3 GLN 71 3HB GLN 71 -26.127 2.699 -22.031 598 HG2 GLN 71 2HG GLN 71 -25.658 0.725 -21.016 599 HG3 GLN 71 3HG GLN 71 -25.192 1.836 -19.728 600 HE21 GLN 71 1HE2 GLN 71 -25.516 0.128 -18.238 601 HE22 GLN 71 2HE2 GLN 71 -27.106 -0.305 -17.720 602 H GLN 72 H GLN 72 -25.663 6.196 -19.568 603 HA GLN 72 HA GLN 72 -22.880 5.573 -20.286 604 HB2 GLN 72 2HB GLN 72 -24.522 7.886 -20.691 605 HB3 GLN 72 3HB GLN 72 -23.157 8.325 -19.673 606 HG2 GLN 72 2HG GLN 72 -21.605 7.519 -21.325 607 HG3 GLN 72 3HG GLN 72 -22.928 6.919 -22.323 608 HE21 GLN 72 1HE2 GLN 72 -24.015 8.302 -23.634 609 HE22 GLN 72 2HE2 GLN 72 -23.592 9.963 -23.843 610 H TRP 73 H TRP 73 -24.840 5.543 -17.681 611 HA TRP 73 HA TRP 73 -23.494 6.955 -15.687 612 HB2 TRP 73 2HB TRP 73 -25.674 6.052 -15.241 613 HB3 TRP 73 3HB TRP 73 -25.116 4.409 -15.546 614 HD1 TRP 73 HD1 TRP 73 -24.337 7.261 -13.020 615 HE1 TRP 73 HE1 TRP 73 -23.868 6.178 -10.733 616 HE3 TRP 73 HE3 TRP 73 -24.729 2.342 -14.356 617 HZ2 TRP 73 HZ2 TRP 73 -23.688 3.582 -9.640 618 HZ3 TRP 73 HZ3 TRP 73 -24.394 0.621 -12.629 619 HH2 TRP 73 HH2 TRP 73 -23.883 1.230 -10.321 620 H SER 74 H SER 74 -22.876 3.785 -17.070 621 HA SER 74 HA SER 74 -21.028 2.867 -15.159 622 HB2 SER 74 2HB SER 74 -20.163 1.590 -17.344 623 HB3 SER 74 3HB SER 74 -21.661 1.141 -16.528 624 HG SER 74 HG SER 74 -21.269 2.328 -18.988 625 H MET 75 H MET 75 -20.564 4.641 -18.199 626 HA MET 75 HA MET 75 -17.726 4.766 -17.949 627 HB2 MET 75 2HB MET 75 -19.777 5.876 -19.771 628 HB3 MET 75 3HB MET 75 -18.279 6.789 -19.651 629 HG2 MET 75 2HG MET 75 -17.343 5.396 -21.083 630 HG3 MET 75 3HG MET 75 -17.555 4.086 -19.923 631 HE1 MET 75 3HE MET 75 -18.242 2.180 -22.665 632 HE2 MET 75 1HE MET 75 -17.758 2.309 -20.974 633 HE3 MET 75 2HE MET 75 -19.358 1.693 -21.388 634 H VAL 76 H VAL 76 -20.350 7.090 -17.365 635 HA VAL 76 HA VAL 76 -18.759 9.259 -16.593 636 HB VAL 76 HB VAL 76 -21.542 8.569 -15.637 637 HG11 VAL 76 1HG1 VAL 76 -20.974 10.240 -14.191 638 HG12 VAL 76 2HG1 VAL 76 -19.798 10.951 -15.298 639 HG13 VAL 76 3HG1 VAL 76 -21.523 11.212 -15.555 640 HG21 VAL 76 3HG2 VAL 76 -21.434 10.662 -17.584 641 HG22 VAL 76 1HG2 VAL 76 -20.611 9.234 -18.211 642 HG23 VAL 76 2HG2 VAL 76 -22.282 9.117 -17.659 643 H ALA 77 H ALA 77 -20.239 6.686 -14.643 644 HA ALA 77 HA ALA 77 -19.511 7.580 -12.117 645 HB1 ALA 77 1HB ALA 77 -20.001 4.854 -13.250 646 HB2 ALA 77 2HB ALA 77 -19.486 5.053 -11.575 647 HB3 ALA 77 3HB ALA 77 -20.988 5.792 -12.130 648 H GLN 78 H GLN 78 -17.644 5.760 -14.491 649 HA GLN 78 HA GLN 78 -15.457 5.128 -12.833 650 HB2 GLN 78 2HB GLN 78 -15.782 3.985 -14.940 651 HB3 GLN 78 3HB GLN 78 -15.618 5.494 -15.828 652 HG2 GLN 78 2HG GLN 78 -13.347 4.764 -14.102 653 HG3 GLN 78 3HG GLN 78 -13.629 3.724 -15.497 654 HE21 GLN 78 1HE2 GLN 78 -11.464 4.618 -16.035 655 HE22 GLN 78 2HE2 GLN 78 -11.407 6.094 -16.931 656 H ARG 79 H ARG 79 -16.291 7.992 -14.659 657 HA ARG 79 HA ARG 79 -13.813 9.271 -14.721 658 HB2 ARG 79 2HB ARG 79 -16.429 9.906 -15.439 659 HB3 ARG 79 3HB ARG 79 -16.000 11.121 -14.243 660 HG2 ARG 79 2HG ARG 79 -14.460 12.098 -15.582 661 HG3 ARG 79 3HG ARG 79 -14.011 10.579 -16.359 662 HD2 ARG 79 2HD ARG 79 -16.704 11.120 -17.037 663 HD3 ARG 79 3HD ARG 79 -15.791 12.608 -17.279 664 HE ARG 79 HE ARG 79 -14.526 10.285 -18.400 665 HH11 ARG 79 1HH1 ARG 79 -16.853 12.817 -18.940 666 HH12 ARG 79 2HH1 ARG 79 -16.729 12.742 -20.667 667 HH21 ARG 79 1HH2 ARG 79 -14.353 10.176 -20.672 668 HH22 ARG 79 2HH2 ARG 79 -15.307 11.239 -21.651 669 H LEU 80 H LEU 80 -16.322 9.267 -12.222 670 HA LEU 80 HA LEU 80 -14.579 10.831 -10.464 671 HB2 LEU 80 2HB LEU 80 -16.637 10.772 -8.963 672 HB3 LEU 80 3HB LEU 80 -16.731 11.720 -10.445 673 HG LEU 80 HG LEU 80 -17.738 8.929 -10.542 674 HD11 LEU 80 1HD1 LEU 80 -19.849 9.491 -9.565 675 HD12 LEU 80 2HD1 LEU 80 -19.338 11.157 -9.296 676 HD13 LEU 80 3HD1 LEU 80 -18.583 9.846 -8.389 677 HD21 LEU 80 3HD2 LEU 80 -19.122 9.751 -12.208 678 HD22 LEU 80 1HD2 LEU 80 -17.656 10.710 -12.418 679 HD23 LEU 80 2HD2 LEU 80 -19.053 11.404 -11.594 680 H GLN 81 H GLN 81 -15.094 7.668 -11.202 681 HA GLN 81 HA GLN 81 -14.517 5.703 -10.212 682 HB2 GLN 81 2HB GLN 81 -12.508 7.074 -9.544 683 HB3 GLN 81 3HB GLN 81 -13.309 7.375 -8.008 684 HG2 GLN 81 2HG GLN 81 -13.468 4.724 -8.018 685 HG3 GLN 81 3HG GLN 81 -12.044 4.909 -9.041 686 HE21 GLN 81 1HE2 GLN 81 -13.287 6.525 -6.133 687 HE22 GLN 81 2HE2 GLN 81 -11.827 6.376 -5.221 688 H ILE 82 H ILE 82 -17.082 6.413 -9.826 689 HA ILE 82 HA ILE 82 -17.639 5.958 -6.977 690 HB ILE 82 HB ILE 82 -18.743 7.914 -7.953 691 HG12 ILE 82 2HG1 ILE 82 -21.101 6.203 -7.669 692 HG13 ILE 82 3HG1 ILE 82 -19.902 5.942 -6.407 693 HG21 ILE 82 1HG2 ILE 82 -19.981 5.909 -9.831 694 HG22 ILE 82 2HG2 ILE 82 -20.534 7.572 -9.643 695 HG23 ILE 82 3HG2 ILE 82 -18.912 7.246 -10.252 696 HD11 ILE 82 3HD1 ILE 82 -19.962 8.284 -5.823 697 HD12 ILE 82 1HD1 ILE 82 -21.086 8.608 -7.142 698 HD13 ILE 82 2HD1 ILE 82 -21.588 7.604 -5.782 699 H SER 83 H SER 83 -17.891 4.552 -10.128 700 HA SER 83 HA SER 83 -18.953 2.106 -8.928 701 HB2 SER 83 2HB SER 83 -20.069 3.056 -11.557 702 HB3 SER 83 3HB SER 83 -20.713 1.834 -10.461 703 HG SER 83 HG SER 83 -21.493 3.379 -9.164 704 H ASP 84 H ASP 84 -16.461 2.018 -9.319 705 HA ASP 84 HA ASP 84 -15.768 1.314 -12.055 706 HB2 ASP 84 2HB ASP 84 -14.250 1.840 -9.544 707 HB3 ASP 84 3HB ASP 84 -13.500 0.807 -10.757 708 H TYR 85 H TYR 85 -17.550 -0.459 -11.549 709 HA TYR 85 HA TYR 85 -17.950 -2.702 -11.568 710 HB2 TYR 85 2HB TYR 85 -15.020 -3.205 -11.100 711 HB3 TYR 85 3HB TYR 85 -16.187 -4.226 -11.931 712 HD1 TYR 85 HD2 TYR 85 -17.402 -2.737 -13.948 713 HD2 TYR 85 HD1 TYR 85 -13.420 -2.338 -12.503 714 HE1 TYR 85 HE2 TYR 85 -16.724 -1.763 -16.103 715 HE2 TYR 85 HE1 TYR 85 -12.732 -1.362 -14.653 716 HH TYR 85 HH TYR 85 -13.470 -1.344 -16.988 717 H GLN 86 H GLN 86 -15.981 -4.470 -9.954 718 HA GLN 86 HA GLN 86 -17.491 -4.825 -7.684 719 HB2 GLN 86 2HB GLN 86 -15.559 -6.016 -6.740 720 HB3 GLN 86 3HB GLN 86 -15.829 -6.445 -8.423 721 HG2 GLN 86 2HG GLN 86 -14.072 -4.577 -8.886 722 HG3 GLN 86 3HG GLN 86 -13.626 -4.854 -7.204 723 HE21 GLN 86 1HE2 GLN 86 -12.409 -6.573 -6.701 724 HE22 GLN 86 2HE2 GLN 86 -11.893 -7.779 -7.826 725 H GLN 87 H GLN 87 -14.870 -2.564 -8.234 726 HA GLN 87 HA GLN 87 -14.306 -1.801 -5.622 727 HB2 GLN 87 2HB GLN 87 -13.798 -0.788 -8.271 728 HB3 GLN 87 3HB GLN 87 -14.177 0.540 -7.181 729 HG2 GLN 87 2HG GLN 87 -12.430 -1.002 -5.716 730 HG3 GLN 87 3HG GLN 87 -11.796 -1.108 -7.357 731 HE21 GLN 87 1HE2 GLN 87 -12.235 0.864 -4.598 732 HE22 GLN 87 2HE2 GLN 87 -11.435 2.274 -5.196 733 H LEU 88 H LEU 88 -17.024 -1.026 -7.653 734 HA LEU 88 HA LEU 88 -18.006 1.263 -6.447 735 HB2 LEU 88 2HB LEU 88 -20.002 0.837 -7.511 736 HB3 LEU 88 3HB LEU 88 -18.860 -0.092 -8.480 737 HG LEU 88 HG LEU 88 -19.624 -2.025 -6.819 738 HD11 LEU 88 1HD1 LEU 88 -22.302 -1.389 -6.927 739 HD12 LEU 88 2HD1 LEU 88 -21.545 0.113 -6.400 740 HD13 LEU 88 3HD1 LEU 88 -21.285 -1.372 -5.486 741 HD21 LEU 88 3HD2 LEU 88 -20.515 -2.906 -8.673 742 HD22 LEU 88 1HD2 LEU 88 -20.011 -1.408 -9.456 743 HD23 LEU 88 2HD2 LEU 88 -21.664 -1.581 -8.864 744 H GLU 89 H GLU 89 -17.979 -2.012 -5.287 745 HA GLU 89 HA GLU 89 -19.987 -1.739 -3.303 746 HB2 GLU 89 2HB GLU 89 -18.468 -3.818 -4.297 747 HB3 GLU 89 3HB GLU 89 -17.846 -3.625 -2.664 748 HG2 GLU 89 2HG GLU 89 -20.066 -3.898 -1.748 749 HG3 GLU 89 3HG GLU 89 -20.748 -3.994 -3.371 750 H SER 90 H SER 90 -16.464 -1.373 -3.250 751 HA SER 90 HA SER 90 -16.270 -0.870 -0.467 752 HB2 SER 90 2HB SER 90 -14.320 0.156 -2.525 753 HB3 SER 90 3HB SER 90 -13.999 -0.346 -0.865 754 HG SER 90 HG SER 90 -14.541 -2.491 -1.523 755 H ILE 91 H ILE 91 -16.503 1.246 -3.296 756 HA ILE 91 HA ILE 91 -16.231 3.682 -1.884 757 HB ILE 91 HB ILE 91 -17.705 3.269 -4.485 758 HG12 ILE 91 2HG1 ILE 91 -15.489 2.270 -4.651 759 HG13 ILE 91 3HG1 ILE 91 -15.540 3.767 -5.575 760 HG21 ILE 91 1HG2 ILE 91 -18.114 5.449 -4.170 761 HG22 ILE 91 2HG2 ILE 91 -16.880 5.599 -2.920 762 HG23 ILE 91 3HG2 ILE 91 -16.424 5.673 -4.622 763 HD11 ILE 91 3HD1 ILE 91 -14.120 3.162 -3.027 764 HD12 ILE 91 1HD1 ILE 91 -13.516 3.920 -4.500 765 HD13 ILE 91 2HD1 ILE 91 -14.572 4.822 -3.413 766 H TYR 92 H TYR 92 -19.046 1.775 -2.863 767 HA TYR 92 HA TYR 92 -21.003 3.626 -2.018 768 HB2 TYR 92 2HB TYR 92 -20.973 0.730 -2.719 769 HB3 TYR 92 3HB TYR 92 -22.366 1.345 -1.836 770 HD1 TYR 92 HD1 TYR 92 -20.341 3.058 -4.446 771 HD2 TYR 92 HD2 TYR 92 -24.083 1.309 -3.423 772 HE1 TYR 92 HE1 TYR 92 -21.300 3.892 -6.552 773 HE2 TYR 92 HE2 TYR 92 -25.051 2.137 -5.527 774 HH TYR 92 HH TYR 92 -24.578 4.019 -7.155 775 H PHE 93 H PHE 93 -19.421 0.911 -0.396 776 HA PHE 93 HA PHE 93 -20.964 0.986 1.965 777 HB2 PHE 93 2HB PHE 93 -19.203 -0.772 1.034 778 HB3 PHE 93 3HB PHE 93 -18.109 0.132 2.075 779 HD1 PHE 93 HD1 PHE 93 -21.349 -1.681 2.089 780 HD2 PHE 93 HD2 PHE 93 -18.006 -0.325 4.348 781 HE1 PHE 93 HE1 PHE 93 -22.144 -2.967 4.030 782 HE2 PHE 93 HE2 PHE 93 -18.795 -1.609 6.293 783 HZ PHE 93 HZ PHE 93 -20.866 -2.933 6.135 784 H ARG 94 H ARG 94 -17.780 2.376 1.200 785 HA ARG 94 HA ARG 94 -17.382 3.616 3.697 786 HB2 ARG 94 2HB ARG 94 -16.176 3.813 0.996 787 HB3 ARG 94 3HB ARG 94 -15.929 5.187 2.066 788 HG2 ARG 94 2HG ARG 94 -14.099 3.551 2.171 789 HG3 ARG 94 3HG ARG 94 -14.907 3.769 3.725 790 HD2 ARG 94 2HD ARG 94 -15.676 1.653 3.764 791 HD3 ARG 94 3HD ARG 94 -16.023 1.642 2.035 792 HE ARG 94 HE ARG 94 -13.221 1.573 2.575 793 HH11 ARG 94 1HH1 ARG 94 -16.101 -0.376 2.413 794 HH12 ARG 94 2HH1 ARG 94 -15.246 -1.844 2.073 795 HH21 ARG 94 1HH2 ARG 94 -12.084 -0.353 2.127 796 HH22 ARG 94 2HH2 ARG 94 -12.961 -1.830 1.911 797 H ILE 95 H ILE 95 -19.102 4.601 0.819 798 HA ILE 95 HA ILE 95 -19.421 7.335 1.670 799 HB ILE 95 HB ILE 95 -20.619 5.739 -0.585 800 HG12 ILE 95 2HG1 ILE 95 -18.872 8.200 -0.662 801 HG13 ILE 95 3HG1 ILE 95 -18.220 6.566 -0.658 802 HG21 ILE 95 1HG2 ILE 95 -21.278 8.519 0.333 803 HG22 ILE 95 2HG2 ILE 95 -21.506 8.010 -1.339 804 HG23 ILE 95 3HG2 ILE 95 -22.376 7.191 -0.042 805 HD11 ILE 95 3HD1 ILE 95 -19.424 6.093 -2.734 806 HD12 ILE 95 1HD1 ILE 95 -20.042 7.744 -2.741 807 HD13 ILE 95 2HD1 ILE 95 -18.311 7.450 -2.905 808 H LEU 96 H LEU 96 -21.121 4.348 2.071 809 HA LEU 96 HA LEU 96 -23.591 5.624 2.894 810 HB2 LEU 96 2HB LEU 96 -22.679 2.898 2.310 811 HB3 LEU 96 3HB LEU 96 -23.838 3.014 3.633 812 HG LEU 96 HG LEU 96 -24.953 2.523 1.527 813 HD11 LEU 96 1HD1 LEU 96 -25.704 5.353 2.014 814 HD12 LEU 96 2HD1 LEU 96 -25.810 4.222 3.362 815 HD13 LEU 96 3HD1 LEU 96 -26.718 3.916 1.882 816 HD21 LEU 96 3HD2 LEU 96 -23.644 3.389 -0.174 817 HD22 LEU 96 1HD2 LEU 96 -23.475 4.958 0.614 818 HD23 LEU 96 2HD2 LEU 96 -25.006 4.510 -0.139 819 H LEU 97 H LEU 97 -20.651 4.663 4.319 820 HA LEU 97 HA LEU 97 -21.199 3.810 6.834 821 HB2 LEU 97 2HB LEU 97 -19.049 5.161 5.548 822 HB3 LEU 97 3HB LEU 97 -19.293 5.889 7.134 823 HG LEU 97 HG LEU 97 -19.327 3.204 7.701 824 HD11 LEU 97 1HD1 LEU 97 -17.757 2.049 6.483 825 HD12 LEU 97 2HD1 LEU 97 -16.977 3.515 5.890 826 HD13 LEU 97 3HD1 LEU 97 -18.530 3.011 5.223 827 HD21 LEU 97 3HD2 LEU 97 -17.344 3.624 8.861 828 HD22 LEU 97 1HD2 LEU 97 -18.126 5.202 8.767 829 HD23 LEU 97 2HD2 LEU 97 -16.794 4.812 7.679 830 HA PRO 98 HA PRO 98 -23.543 6.828 8.995 831 HB2 PRO 98 2HB PRO 98 -22.573 6.547 11.515 832 HB3 PRO 98 3HB PRO 98 -23.617 5.344 10.748 833 HG2 PRO 98 2HG PRO 98 -20.639 5.351 11.050 834 HG3 PRO 98 3HG PRO 98 -21.783 4.014 11.271 835 HD2 PRO 98 2HD PRO 98 -20.308 4.312 9.020 836 HD3 PRO 98 3HD PRO 98 -21.936 3.605 9.008 837 H TYR 99 H TYR 99 -20.053 6.889 9.646 838 HA TYR 99 HA TYR 99 -20.040 9.563 10.632 839 HB2 TYR 99 2HB TYR 99 -17.797 7.822 9.593 840 HB3 TYR 99 3HB TYR 99 -17.567 9.378 10.381 841 HD1 TYR 99 HD2 TYR 99 -18.251 9.640 12.784 842 HD2 TYR 99 HD1 TYR 99 -18.135 5.849 10.855 843 HE1 TYR 99 HE2 TYR 99 -18.231 8.530 14.979 844 HE2 TYR 99 HE1 TYR 99 -18.116 4.729 13.044 845 HH TYR 99 HH TYR 99 -18.733 6.416 15.977 846 H GLU 100 H GLU 100 -19.354 8.080 7.496 847 HA GLU 100 HA GLU 100 -18.458 10.429 6.209 848 HB2 GLU 100 2HB GLU 100 -19.508 7.786 5.264 849 HB3 GLU 100 3HB GLU 100 -19.263 9.089 4.110 850 HG2 GLU 100 2HG GLU 100 -17.267 7.981 3.973 851 HG3 GLU 100 3HG GLU 100 -16.892 9.219 5.171 852 H ARG 101 H ARG 101 -21.642 8.843 6.269 853 HA ARG 101 HA ARG 101 -22.933 10.795 4.673 854 HB2 ARG 101 2HB ARG 101 -24.996 9.725 5.328 855 HB3 ARG 101 3HB ARG 101 -23.784 8.489 5.020 856 HG2 ARG 101 2HG ARG 101 -24.653 7.681 6.953 857 HG3 ARG 101 3HG ARG 101 -23.403 8.729 7.626 858 HD2 ARG 101 2HD ARG 101 -24.986 9.784 8.773 859 HD3 ARG 101 3HD ARG 101 -25.642 10.365 7.243 860 HE ARG 101 HE ARG 101 -26.591 7.765 7.729 861 HH11 ARG 101 1HH1 ARG 101 -26.927 11.017 8.924 862 HH12 ARG 101 2HH1 ARG 101 -28.548 10.781 9.488 863 HH21 ARG 101 1HH2 ARG 101 -28.724 7.442 8.467 864 HH22 ARG 101 2HH2 ARG 101 -29.569 8.747 9.228 865 H HIS 102 H HIS 102 -22.359 10.479 8.114 866 HA HIS 102 HA HIS 102 -24.186 12.453 8.984 867 HB2 HIS 102 2HB HIS 102 -23.298 10.874 10.571 868 HB3 HIS 102 3HB HIS 102 -21.648 11.390 10.236 869 HD1 HIS 102 HD1 HIS 102 -24.846 12.772 11.741 870 HD2 HIS 102 HD2 HIS 102 -20.736 13.361 11.874 871 HE1 HIS 102 HE1 HIS 102 -24.469 14.468 13.558 872 H MET 103 H MET 103 -20.720 12.590 8.218 873 HA MET 103 HA MET 103 -20.292 15.273 8.863 874 HB2 MET 103 2HB MET 103 -18.809 13.176 7.708 875 HB3 MET 103 3HB MET 103 -18.731 14.510 6.564 876 HG2 MET 103 2HG MET 103 -16.864 14.589 8.095 877 HG3 MET 103 3HG MET 103 -17.918 15.982 8.330 878 HE1 MET 103 3HE MET 103 -18.126 16.619 11.276 879 HE2 MET 103 1HE MET 103 -16.700 15.718 11.791 880 HE3 MET 103 2HE MET 103 -16.715 16.519 10.220 881 H ILE 104 H ILE 104 -21.296 13.786 5.803 882 HA ILE 104 HA ILE 104 -21.434 16.285 4.409 883 HB ILE 104 HB ILE 104 -22.448 15.033 2.592 884 HG12 ILE 104 2HG1 ILE 104 -22.533 12.728 4.552 885 HG13 ILE 104 3HG1 ILE 104 -23.926 13.590 3.908 886 HG21 ILE 104 1HG2 ILE 104 -19.915 14.693 3.563 887 HG22 ILE 104 2HG2 ILE 104 -20.469 13.031 3.370 888 HG23 ILE 104 3HG2 ILE 104 -20.489 14.131 1.993 889 HD11 ILE 104 3HD1 ILE 104 -23.995 11.935 2.419 890 HD12 ILE 104 1HD1 ILE 104 -22.669 12.790 1.632 891 HD13 ILE 104 2HD1 ILE 104 -22.328 11.453 2.731 892 H SER 105 H SER 105 -23.593 14.419 6.372 893 HA SER 105 HA SER 105 -26.068 15.341 5.465 894 HB2 SER 105 2HB SER 105 -25.038 14.000 7.843 895 HB3 SER 105 3HB SER 105 -26.388 15.074 8.209 896 HG SER 105 HG SER 105 -27.545 13.990 6.513 897 H GLN 106 H GLN 106 -23.720 16.802 7.632 898 HA GLN 106 HA GLN 106 -25.282 18.845 8.707 899 HB2 GLN 106 2HB GLN 106 -22.943 18.197 9.392 900 HB3 GLN 106 3HB GLN 106 -22.360 19.080 7.987 901 HG2 GLN 106 2HG GLN 106 -23.851 20.996 9.080 902 HG3 GLN 106 3HG GLN 106 -23.464 20.082 10.538 903 HE21 GLN 106 1HE2 GLN 106 -22.401 22.387 8.332 904 HE22 GLN 106 2HE2 GLN 106 -20.763 22.513 8.865 905 H GLU 107 H GLU 107 -23.456 18.715 5.680 906 HA GLU 107 HA GLU 107 -24.667 21.286 4.909 907 HB2 GLU 107 2HB GLU 107 -22.053 20.790 4.953 908 HB3 GLU 107 3HB GLU 107 -22.401 20.119 3.366 909 HG2 GLU 107 2HG GLU 107 -23.371 22.256 2.679 910 HG3 GLU 107 3HG GLU 107 -23.000 22.928 4.265 911 H GLY 108 H GLY 108 -25.868 18.569 4.756 912 HA2 GLY 108 2HA GLY 108 -26.768 18.775 2.002 913 HA3 GLY 108 3HA GLY 108 -25.949 17.276 2.412 914 H ILE 109 H ILE 109 -28.032 19.112 4.575 915 HA ILE 109 HA ILE 109 -29.527 16.861 5.344 916 HB ILE 109 HB ILE 109 -31.130 18.541 6.323 917 HG12 ILE 109 2HG1 ILE 109 -29.127 20.661 5.658 918 HG13 ILE 109 3HG1 ILE 109 -30.353 20.250 4.464 919 HG21 ILE 109 1HG2 ILE 109 -29.758 18.943 8.128 920 HG22 ILE 109 2HG2 ILE 109 -28.905 17.624 7.329 921 HG23 ILE 109 3HG2 ILE 109 -28.353 19.286 7.121 922 HD11 ILE 109 3HD1 ILE 109 -30.689 21.454 7.176 923 HD12 ILE 109 1HD1 ILE 109 -31.297 22.015 5.618 924 HD13 ILE 109 2HD1 ILE 109 -32.022 20.606 6.393 925 H LYS 110 H LYS 110 -29.829 18.997 2.662 926 HA LYS 110 HA LYS 110 -32.553 18.826 2.094 927 HB2 LYS 110 2HB LYS 110 -30.092 19.349 0.514 928 HB3 LYS 110 3HB LYS 110 -31.543 18.930 -0.387 929 HG2 LYS 110 2HG LYS 110 -31.509 21.274 -0.287 930 HG3 LYS 110 3HG LYS 110 -32.712 20.767 0.902 931 HD2 LYS 110 2HD LYS 110 -31.421 22.459 1.941 932 HD3 LYS 110 3HD LYS 110 -30.881 20.930 2.637 933 HE2 LYS 110 2HE LYS 110 -28.948 20.914 1.177 934 HE3 LYS 110 3HE LYS 110 -29.509 22.382 0.376 935 HZ1 LYS 110 3HZ LYS 110 -29.435 23.305 2.803 936 HZ2 LYS 110 1HZ LYS 110 -28.029 23.240 1.864 937 HZ3 LYS 110 2HZ LYS 110 -28.320 22.055 3.036 938 H GLU 111 H GLU 111 -30.043 16.466 1.794 939 HA GLU 111 HA GLU 111 -31.299 14.780 -0.112 940 HB2 GLU 111 2HB GLU 111 -29.640 13.174 0.427 941 HB3 GLU 111 3HB GLU 111 -28.860 14.743 0.562 942 HG2 GLU 111 2HG GLU 111 -28.094 13.771 2.463 943 HG3 GLU 111 3HG GLU 111 -29.572 14.503 3.084 944 H THR 112 H THR 112 -31.698 15.258 3.291 945 HA THR 112 HA THR 112 -32.898 12.774 3.932 946 HB THR 112 HB THR 112 -33.399 15.416 5.309 947 HG1 THR 112 HG1 THR 112 -31.263 13.552 5.554 948 HG21 THR 112 3HG2 THR 112 -33.239 13.262 7.115 949 HG22 THR 112 1HG2 THR 112 -34.268 12.723 5.789 950 HG23 THR 112 2HG2 THR 112 -34.669 14.196 6.674 951 H GLN 113 H GLN 113 -34.296 15.956 3.158 952 HA GLN 113 HA GLN 113 -36.988 15.155 3.323 953 HB2 GLN 113 2HB GLN 113 -36.010 17.529 3.242 954 HB3 GLN 113 3HB GLN 113 -35.988 17.327 1.495 955 HG2 GLN 113 2HG GLN 113 -38.247 17.440 1.309 956 HG3 GLN 113 3HG GLN 113 -38.525 16.744 2.904 957 HE21 GLN 113 1HE2 GLN 113 -39.654 18.161 4.029 958 HE22 GLN 113 2HE2 GLN 113 -39.308 19.847 4.174 959 H ALA 114 H ALA 114 -34.591 14.666 0.904 960 HA ALA 114 HA ALA 114 -36.238 14.355 -1.362 961 HB1 ALA 114 1HB ALA 114 -33.465 13.832 -0.656 962 HB2 ALA 114 2HB ALA 114 -34.120 12.650 -1.789 963 HB3 ALA 114 3HB ALA 114 -34.165 14.368 -2.184 964 H LYS 115 H LYS 115 -35.540 12.279 1.331 965 HA LYS 115 HA LYS 115 -36.236 10.191 1.912 966 HB2 LYS 115 2HB LYS 115 -38.434 11.238 1.741 967 HB3 LYS 115 3HB LYS 115 -38.483 10.898 0.016 968 HG2 LYS 115 2HG LYS 115 -39.215 8.823 0.343 969 HG3 LYS 115 3HG LYS 115 -38.024 8.512 1.608 970 HD2 LYS 115 2HD LYS 115 -40.104 8.335 2.683 971 HD3 LYS 115 3HD LYS 115 -39.506 9.938 3.119 972 HE2 LYS 115 2HE LYS 115 -40.871 10.880 1.264 973 HE3 LYS 115 3HE LYS 115 -41.547 9.273 1.001 974 HZ1 LYS 115 3HZ LYS 115 -41.719 10.711 3.589 975 HZ2 LYS 115 1HZ LYS 115 -42.538 9.301 3.138 976 HZ3 LYS 115 2HZ LYS 115 -42.927 10.775 2.406 977 H ARG 116 H ARG 116 -34.555 8.992 1.036 978 HA ARG 116 HA ARG 116 -33.601 7.369 -0.240 979 HB2 ARG 116 2HB ARG 116 -36.211 6.680 -0.123 980 HB3 ARG 116 3HB ARG 116 -36.026 6.876 -1.861 981 HG2 ARG 116 2HG ARG 116 -34.287 5.233 -1.926 982 HG3 ARG 116 3HG ARG 116 -34.258 5.131 -0.165 983 HD2 ARG 116 2HD ARG 116 -36.821 4.556 -0.539 984 HD3 ARG 116 3HD ARG 116 -36.214 4.027 -2.108 985 HE ARG 116 HE ARG 116 -35.336 2.200 -1.074 986 HH11 ARG 116 1HH1 ARG 116 -35.787 4.700 1.306 987 HH12 ARG 116 2HH1 ARG 116 -35.306 3.700 2.637 988 HH21 ARG 116 1HH2 ARG 116 -34.701 0.874 0.670 989 HH22 ARG 116 2HH2 ARG 116 -34.687 1.525 2.274 Start of MODEL 6 1 H1 GLN 1 H GLN 1 0.438 -2.867 -2.240 2 HA GLN 1 HA GLN 1 -1.985 -1.453 -2.753 3 HB2 GLN 1 2HB GLN 1 -1.479 0.349 -1.014 4 HB3 GLN 1 3HB GLN 1 -2.200 -1.145 -0.432 5 HG2 GLN 1 2HG GLN 1 -0.183 -1.886 0.503 6 HG3 GLN 1 3HG GLN 1 0.763 -0.697 -0.391 7 HE21 GLN 1 1HE2 GLN 1 1.427 0.966 0.746 8 HE22 GLN 1 2HE2 GLN 1 0.672 1.605 2.162 9 H SER 2 H SER 2 -1.486 0.938 -3.188 10 HA SER 2 HA SER 2 1.272 1.420 -3.994 11 HB2 SER 2 2HB SER 2 0.851 1.736 -6.279 12 HB3 SER 2 3HB SER 2 -0.084 0.291 -5.896 13 HG SER 2 HG SER 2 -1.862 1.343 -6.301 14 H LEU 3 H LEU 3 0.852 3.687 -5.526 15 HA LEU 3 HA LEU 3 -0.285 5.517 -3.524 16 HB2 LEU 3 2HB LEU 3 1.169 7.222 -4.464 17 HB3 LEU 3 3HB LEU 3 2.092 5.812 -3.949 18 HG LEU 3 HG LEU 3 1.368 5.696 -6.764 19 HD11 LEU 3 1HD1 LEU 3 1.517 8.069 -6.760 20 HD12 LEU 3 2HD1 LEU 3 3.031 7.451 -7.420 21 HD13 LEU 3 3HD1 LEU 3 2.969 8.039 -5.759 22 HD21 LEU 3 3HD2 LEU 3 3.000 4.217 -5.829 23 HD22 LEU 3 1HD2 LEU 3 3.941 5.570 -5.200 24 HD23 LEU 3 2HD2 LEU 3 3.826 5.310 -6.941 25 H ASN 4 H ASN 4 -0.961 7.695 -4.610 26 HA ASN 4 HA ASN 4 -3.237 7.189 -6.169 27 HB2 ASN 4 2HB ASN 4 -3.149 9.742 -6.536 28 HB3 ASN 4 3HB ASN 4 -3.315 9.151 -4.885 29 HD21 ASN 4 1HD2 ASN 4 -2.189 10.349 -3.549 30 HD22 ASN 4 2HD2 ASN 4 -0.611 10.993 -3.833 31 HA PRO 5 HA PRO 5 -1.852 7.128 -10.332 32 HB2 PRO 5 2HB PRO 5 -3.865 8.427 -11.608 33 HB3 PRO 5 3HB PRO 5 -4.042 6.799 -10.943 34 HG2 PRO 5 2HG PRO 5 -4.897 9.422 -9.782 35 HG3 PRO 5 3HG PRO 5 -5.773 7.881 -9.831 36 HD2 PRO 5 2HD PRO 5 -4.467 8.745 -7.622 37 HD3 PRO 5 3HD PRO 5 -4.619 7.024 -8.029 38 H ALA 6 H ALA 6 -2.741 10.240 -8.968 39 HA ALA 6 HA ALA 6 -2.029 12.369 -9.365 40 HB1 ALA 6 1HB ALA 6 0.247 12.653 -9.378 41 HB2 ALA 6 2HB ALA 6 0.129 10.981 -8.827 42 HB3 ALA 6 3HB ALA 6 0.516 11.329 -10.512 43 H LEU 7 H LEU 7 -3.405 10.922 -11.545 44 HA LEU 7 HA LEU 7 -2.256 12.264 -13.893 45 HB2 LEU 7 2HB LEU 7 -3.600 9.738 -13.467 46 HB3 LEU 7 3HB LEU 7 -4.380 10.678 -14.738 47 HG LEU 7 HG LEU 7 -2.724 9.093 -15.619 48 HD11 LEU 7 1HD1 LEU 7 -2.967 11.836 -16.209 49 HD12 LEU 7 2HD1 LEU 7 -2.444 10.534 -17.278 50 HD13 LEU 7 3HD1 LEU 7 -1.254 11.434 -16.337 51 HD21 LEU 7 3HD2 LEU 7 -0.345 9.462 -15.220 52 HD22 LEU 7 1HD2 LEU 7 -1.189 9.085 -13.718 53 HD23 LEU 7 2HD2 LEU 7 -0.728 10.749 -14.076 54 H GLN 8 H GLN 8 -5.296 11.778 -12.137 55 HA GLN 8 HA GLN 8 -6.288 14.270 -13.349 56 HB2 GLN 8 2HB GLN 8 -7.735 11.666 -12.937 57 HB3 GLN 8 3HB GLN 8 -8.609 13.186 -13.071 58 HG2 GLN 8 2HG GLN 8 -6.625 12.646 -15.180 59 HG3 GLN 8 3HG GLN 8 -8.042 11.597 -15.154 60 HE21 GLN 8 1HE2 GLN 8 -9.223 12.306 -16.809 61 HE22 GLN 8 2HE2 GLN 8 -9.761 13.933 -17.024 62 H GLU 9 H GLU 9 -4.906 13.831 -10.825 63 HA GLU 9 HA GLU 9 -7.024 14.266 -8.849 64 HB2 GLU 9 2HB GLU 9 -4.053 13.855 -8.465 65 HB3 GLU 9 3HB GLU 9 -5.236 14.013 -7.174 66 HG2 GLU 9 2HG GLU 9 -6.366 11.988 -8.411 67 HG3 GLU 9 3HG GLU 9 -4.729 11.740 -9.017 68 H LYS 10 H LYS 10 -6.706 16.319 -10.684 69 HA LYS 10 HA LYS 10 -4.956 18.366 -9.831 70 HB2 LYS 10 2HB LYS 10 -7.489 18.394 -11.466 71 HB3 LYS 10 3HB LYS 10 -6.574 19.857 -11.126 72 HG2 LYS 10 2HG LYS 10 -4.600 18.825 -12.197 73 HG3 LYS 10 3HG LYS 10 -5.597 17.430 -12.617 74 HD2 LYS 10 2HD LYS 10 -7.070 19.597 -13.514 75 HD3 LYS 10 3HD LYS 10 -5.402 20.031 -13.896 76 HE2 LYS 10 2HE LYS 10 -5.419 17.466 -14.709 77 HE3 LYS 10 3HE LYS 10 -7.109 17.882 -14.987 78 HZ1 LYS 10 3HZ LYS 10 -6.301 18.618 -16.935 79 HZ2 LYS 10 1HZ LYS 10 -4.724 18.812 -16.352 80 HZ3 LYS 10 2HZ LYS 10 -5.890 19.998 -16.046 81 H ILE 11 H ILE 11 -5.091 19.793 -8.218 82 HA ILE 11 HA ILE 11 -7.529 19.791 -6.584 83 HB ILE 11 HB ILE 11 -5.434 19.229 -5.423 84 HG12 ILE 11 2HG1 ILE 11 -5.622 21.012 -3.622 85 HG13 ILE 11 3HG1 ILE 11 -6.777 21.828 -4.672 86 HG21 ILE 11 1HG2 ILE 11 -3.962 20.621 -6.862 87 HG22 ILE 11 2HG2 ILE 11 -4.573 22.051 -6.033 88 HG23 ILE 11 3HG2 ILE 11 -3.669 20.831 -5.136 89 HD11 ILE 11 3HD1 ILE 11 -7.644 19.176 -4.502 90 HD12 ILE 11 1HD1 ILE 11 -7.185 19.646 -2.866 91 HD13 ILE 11 2HD1 ILE 11 -8.369 20.601 -3.759 92 H SER 12 H SER 12 -8.782 21.543 -6.407 93 HA SER 12 HA SER 12 -9.578 23.664 -6.638 94 HB2 SER 12 2HB SER 12 -6.774 24.660 -7.091 95 HB3 SER 12 3HB SER 12 -8.129 25.490 -6.326 96 HG SER 12 HG SER 12 -7.868 23.523 -4.790 97 H THR 13 H THR 13 -10.506 24.652 -8.330 98 HA THR 13 HA THR 13 -9.292 24.223 -10.978 99 HB THR 13 HB THR 13 -11.392 23.132 -10.937 100 HG1 THR 13 HG1 THR 13 -11.285 24.242 -12.834 101 HG21 THR 13 3HG2 THR 13 -12.567 25.670 -9.796 102 HG22 THR 13 1HG2 THR 13 -12.290 24.172 -8.909 103 HG23 THR 13 2HG2 THR 13 -13.469 24.215 -10.220 104 H GLU 14 H GLU 14 -10.972 26.595 -8.960 105 HA GLU 14 HA GLU 14 -9.778 28.719 -10.599 106 HB2 GLU 14 2HB GLU 14 -12.406 28.154 -10.827 107 HB3 GLU 14 3HB GLU 14 -12.459 29.272 -9.472 108 HG2 GLU 14 2HG GLU 14 -11.822 31.053 -10.728 109 HG3 GLU 14 3HG GLU 14 -10.873 30.070 -11.842 110 H LEU 15 H LEU 15 -9.743 27.331 -7.731 111 HA LEU 15 HA LEU 15 -8.840 28.019 -5.741 112 HB2 LEU 15 2HB LEU 15 -8.121 30.052 -7.391 113 HB3 LEU 15 3HB LEU 15 -9.125 30.904 -6.220 114 HG LEU 15 HG LEU 15 -7.635 29.808 -4.439 115 HD11 LEU 15 1HD1 LEU 15 -5.248 29.608 -5.615 116 HD12 LEU 15 2HD1 LEU 15 -6.261 29.040 -6.943 117 HD13 LEU 15 3HD1 LEU 15 -6.318 28.225 -5.380 118 HD21 LEU 15 3HD2 LEU 15 -7.285 32.150 -6.088 119 HD22 LEU 15 1HD2 LEU 15 -5.737 31.557 -5.485 120 HD23 LEU 15 2HD2 LEU 15 -7.034 31.946 -4.354 121 H ASN 16 H ASN 16 -11.801 28.939 -7.025 122 HA ASN 16 HA ASN 16 -12.809 29.997 -4.490 123 HB2 ASN 16 2HB ASN 16 -14.204 29.750 -7.165 124 HB3 ASN 16 3HB ASN 16 -14.828 30.581 -5.742 125 HD21 ASN 16 1HD2 ASN 16 -13.560 32.411 -4.945 126 HD22 ASN 16 2HD2 ASN 16 -12.727 33.400 -6.090 127 H ASN 17 H ASN 17 -13.456 27.402 -6.824 128 HA ASN 17 HA ASN 17 -15.446 26.172 -5.160 129 HB2 ASN 17 2HB ASN 17 -14.007 24.918 -7.502 130 HB3 ASN 17 3HB ASN 17 -15.584 24.483 -6.852 131 HD21 ASN 17 1HD2 ASN 17 -13.790 26.843 -8.685 132 HD22 ASN 17 2HD2 ASN 17 -15.158 27.608 -9.412 133 H LYS 18 H LYS 18 -12.033 26.074 -5.371 134 HA LYS 18 HA LYS 18 -11.379 23.513 -4.577 135 HB2 LYS 18 2HB LYS 18 -9.318 24.421 -3.726 136 HB3 LYS 18 3HB LYS 18 -9.758 25.304 -5.182 137 HG2 LYS 18 2HG LYS 18 -9.265 27.093 -3.918 138 HG3 LYS 18 3HG LYS 18 -10.913 26.868 -3.324 139 HD2 LYS 18 2HD LYS 18 -9.477 27.136 -1.430 140 HD3 LYS 18 3HD LYS 18 -9.976 25.444 -1.496 141 HE2 LYS 18 2HE LYS 18 -7.837 24.848 -1.476 142 HE3 LYS 18 3HE LYS 18 -7.623 25.653 -3.029 143 HZ1 LYS 18 3HZ LYS 18 -7.100 26.707 -0.323 144 HZ2 LYS 18 1HZ LYS 18 -7.348 27.755 -1.628 145 HZ3 LYS 18 2HZ LYS 18 -6.064 26.655 -1.659 146 H GLN 19 H GLN 19 -12.611 26.181 -2.653 147 HA GLN 19 HA GLN 19 -12.139 25.067 -0.108 148 HB2 GLN 19 2HB GLN 19 -13.804 27.250 -1.213 149 HB3 GLN 19 3HB GLN 19 -14.319 26.595 0.336 150 HG2 GLN 19 2HG GLN 19 -12.408 27.292 1.419 151 HG3 GLN 19 3HG GLN 19 -11.469 27.376 -0.070 152 HE21 GLN 19 1HE2 GLN 19 -12.094 29.326 2.144 153 HE22 GLN 19 2HE2 GLN 19 -12.637 30.744 1.320 154 H TYR 20 H TYR 20 -14.976 24.958 -2.238 155 HA TYR 20 HA TYR 20 -16.547 23.386 -0.461 156 HB2 TYR 20 2HB TYR 20 -16.788 24.390 -3.230 157 HB3 TYR 20 3HB TYR 20 -17.680 22.914 -2.879 158 HD1 TYR 20 HD2 TYR 20 -17.371 26.490 -2.144 159 HD2 TYR 20 HD1 TYR 20 -19.550 22.927 -1.335 160 HE1 TYR 20 HE2 TYR 20 -19.160 27.826 -1.113 161 HE2 TYR 20 HE1 TYR 20 -21.346 24.252 -0.302 162 HH TYR 20 HH TYR 20 -21.110 27.790 -0.059 163 H GLU 21 H GLU 21 -14.628 22.622 -3.350 164 HA GLU 21 HA GLU 21 -15.206 19.878 -3.439 165 HB2 GLU 21 2HB GLU 21 -12.988 21.586 -4.499 166 HB3 GLU 21 3HB GLU 21 -12.848 19.836 -4.595 167 HG2 GLU 21 2HG GLU 21 -14.261 19.714 -6.303 168 HG3 GLU 21 3HG GLU 21 -15.426 20.783 -5.523 169 H LEU 22 H LEU 22 -12.560 21.644 -1.867 170 HA LEU 22 HA LEU 22 -11.273 19.329 -0.844 171 HB2 LEU 22 2HB LEU 22 -10.284 21.641 -1.174 172 HB3 LEU 22 3HB LEU 22 -11.111 22.100 0.313 173 HG LEU 22 HG LEU 22 -9.366 19.723 0.481 174 HD11 LEU 22 1HD1 LEU 22 -8.180 21.441 -1.002 175 HD12 LEU 22 2HD1 LEU 22 -7.323 20.849 0.421 176 HD13 LEU 22 3HD1 LEU 22 -8.091 22.437 0.452 177 HD21 LEU 22 3HD2 LEU 22 -8.708 21.395 2.503 178 HD22 LEU 22 1HD2 LEU 22 -10.029 20.228 2.571 179 HD23 LEU 22 2HD2 LEU 22 -10.361 21.914 2.172 180 H PHE 23 H PHE 23 -13.820 21.419 0.331 181 HA PHE 23 HA PHE 23 -13.803 20.647 3.031 182 HB2 PHE 23 2HB PHE 23 -15.615 22.067 1.223 183 HB3 PHE 23 3HB PHE 23 -16.456 21.168 2.482 184 HD1 PHE 23 HD2 PHE 23 -13.185 22.930 2.604 185 HD2 PHE 23 HD1 PHE 23 -17.212 22.768 3.973 186 HE1 PHE 23 HE2 PHE 23 -12.710 24.737 4.205 187 HE2 PHE 23 HE1 PHE 23 -16.744 24.575 5.576 188 HZ PHE 23 HZ PHE 23 -14.490 25.561 5.694 189 H MET 24 H MET 24 -15.651 19.380 0.270 190 HA MET 24 HA MET 24 -16.853 17.293 1.835 191 HB2 MET 24 2HB MET 24 -17.271 18.451 -0.716 192 HB3 MET 24 3HB MET 24 -16.964 16.739 -0.974 193 HG2 MET 24 2HG MET 24 -19.198 16.642 -0.668 194 HG3 MET 24 3HG MET 24 -18.697 16.516 1.016 195 HE1 MET 24 3HE MET 24 -19.657 19.588 2.722 196 HE2 MET 24 1HE MET 24 -20.536 18.060 2.683 197 HE3 MET 24 2HE MET 24 -18.772 18.063 2.669 198 H LYS 25 H LYS 25 -14.110 17.589 -0.335 199 HA LYS 25 HA LYS 25 -13.581 14.831 -0.644 200 HB2 LYS 25 2HB LYS 25 -12.641 16.615 -2.095 201 HB3 LYS 25 3HB LYS 25 -11.625 17.135 -0.757 202 HG2 LYS 25 2HG LYS 25 -11.264 14.333 -1.176 203 HG3 LYS 25 3HG LYS 25 -11.071 15.188 -2.708 204 HD2 LYS 25 2HD LYS 25 -9.727 16.182 -0.221 205 HD3 LYS 25 3HD LYS 25 -9.010 14.879 -1.172 206 HE2 LYS 25 2HE LYS 25 -8.142 16.399 -2.539 207 HE3 LYS 25 3HE LYS 25 -9.774 16.887 -2.994 208 HZ1 LYS 25 3HZ LYS 25 -7.873 18.352 -1.566 209 HZ2 LYS 25 1HZ LYS 25 -9.160 18.036 -0.514 210 HZ3 LYS 25 2HZ LYS 25 -9.444 18.814 -1.989 211 H SER 26 H SER 26 -12.215 17.261 1.568 212 HA SER 26 HA SER 26 -10.543 15.423 2.940 213 HB2 SER 26 2HB SER 26 -9.988 17.759 3.023 214 HB3 SER 26 3HB SER 26 -11.569 18.167 3.690 215 HG SER 26 HG SER 26 -10.804 17.763 5.595 216 H LEU 27 H LEU 27 -13.826 16.569 3.433 217 HA LEU 27 HA LEU 27 -14.162 15.443 6.023 218 HB2 LEU 27 2HB LEU 27 -15.551 17.273 5.122 219 HB3 LEU 27 3HB LEU 27 -16.251 16.144 3.964 220 HG LEU 27 HG LEU 27 -17.609 16.740 6.055 221 HD11 LEU 27 1HD1 LEU 27 -17.422 13.817 6.004 222 HD12 LEU 27 2HD1 LEU 27 -17.589 14.570 4.419 223 HD13 LEU 27 3HD1 LEU 27 -18.792 14.876 5.672 224 HD21 LEU 27 3HD2 LEU 27 -17.129 15.440 8.043 225 HD22 LEU 27 1HD2 LEU 27 -15.756 16.474 7.651 226 HD23 LEU 27 2HD2 LEU 27 -15.697 14.751 7.277 227 H ILE 28 H ILE 28 -15.182 14.387 2.781 228 HA ILE 28 HA ILE 28 -16.369 11.971 3.601 229 HB ILE 28 HB ILE 28 -15.183 12.791 0.953 230 HG12 ILE 28 2HG1 ILE 28 -17.231 13.973 1.794 231 HG13 ILE 28 3HG1 ILE 28 -17.466 13.121 0.272 232 HG21 ILE 28 1HG2 ILE 28 -16.307 10.199 1.846 233 HG22 ILE 28 2HG2 ILE 28 -16.776 10.780 0.250 234 HG23 ILE 28 3HG2 ILE 28 -15.072 10.543 0.635 235 HD11 ILE 28 3HD1 ILE 28 -18.097 11.487 2.590 236 HD12 ILE 28 1HD1 ILE 28 -19.073 12.952 2.484 237 HD13 ILE 28 2HD1 ILE 28 -19.041 11.814 1.137 238 H GLU 29 H GLU 29 -13.108 12.667 2.366 239 HA GLU 29 HA GLU 29 -12.165 10.015 2.465 240 HB2 GLU 29 2HB GLU 29 -10.013 10.904 2.080 241 HB3 GLU 29 3HB GLU 29 -11.119 11.999 1.262 242 HG2 GLU 29 2HG GLU 29 -10.992 13.521 3.199 243 HG3 GLU 29 3HG GLU 29 -9.804 12.443 3.931 244 H ASN 30 H ASN 30 -12.351 12.553 4.872 245 HA ASN 30 HA ASN 30 -10.640 11.358 6.787 246 HB2 ASN 30 2HB ASN 30 -11.131 13.696 6.989 247 HB3 ASN 30 3HB ASN 30 -12.863 13.387 7.051 248 HD21 ASN 30 1HD2 ASN 30 -13.796 13.127 8.968 249 HD22 ASN 30 2HD2 ASN 30 -12.960 12.968 10.471 250 H CYS 31 H CYS 31 -14.198 11.482 6.580 251 HA CYS 31 HA CYS 31 -14.628 9.720 8.751 252 HB2 CYS 31 2HB CYS 31 -16.511 10.253 6.448 253 HB3 CYS 31 3HB CYS 31 -16.937 9.690 8.060 254 HG CYS 31 HG CYS 31 -17.161 12.004 9.175 255 H LYS 32 H LYS 32 -14.610 9.225 5.237 256 HA LYS 32 HA LYS 32 -15.284 6.500 5.263 257 HB2 LYS 32 2HB LYS 32 -15.326 7.947 3.247 258 HB3 LYS 32 3HB LYS 32 -13.568 7.965 3.250 259 HG2 LYS 32 2HG LYS 32 -13.403 5.843 2.459 260 HG3 LYS 32 3HG LYS 32 -14.901 5.320 3.233 261 HD2 LYS 32 2HD LYS 32 -16.208 6.502 1.567 262 HD3 LYS 32 3HD LYS 32 -14.736 7.134 0.826 263 HE2 LYS 32 2HE LYS 32 -14.883 4.202 1.117 264 HE3 LYS 32 3HE LYS 32 -16.020 4.919 -0.023 265 HZ1 LYS 32 3HZ LYS 32 -14.377 5.020 -1.481 266 HZ2 LYS 32 1HZ LYS 32 -13.259 4.451 -0.345 267 HZ3 LYS 32 2HZ LYS 32 -13.557 6.111 -0.482 268 H LYS 33 H LYS 33 -12.267 8.157 5.803 269 HA LYS 33 HA LYS 33 -10.481 6.036 5.392 270 HB2 LYS 33 2HB LYS 33 -10.425 8.656 6.704 271 HB3 LYS 33 3HB LYS 33 -9.334 7.484 7.431 272 HG2 LYS 33 2HG LYS 33 -8.042 7.307 5.537 273 HG3 LYS 33 3HG LYS 33 -9.345 7.837 4.470 274 HD2 LYS 33 2HD LYS 33 -8.449 9.873 4.505 275 HD3 LYS 33 3HD LYS 33 -8.886 9.978 6.212 276 HE2 LYS 33 2HE LYS 33 -6.767 9.417 6.925 277 HE3 LYS 33 3HE LYS 33 -6.375 8.569 5.430 278 HZ1 LYS 33 3HZ LYS 33 -5.150 10.606 5.521 279 HZ2 LYS 33 1HZ LYS 33 -6.552 11.508 5.806 280 HZ3 LYS 33 2HZ LYS 33 -6.323 10.752 4.311 281 H ARG 34 H ARG 34 -12.820 6.529 7.823 282 HA ARG 34 HA ARG 34 -11.534 4.977 9.871 283 HB2 ARG 34 2HB ARG 34 -14.428 5.809 9.587 284 HB3 ARG 34 3HB ARG 34 -13.695 5.127 11.032 285 HG2 ARG 34 2HG ARG 34 -12.669 7.659 9.799 286 HG3 ARG 34 3HG ARG 34 -14.020 7.655 10.934 287 HD2 ARG 34 2HD ARG 34 -12.621 6.576 12.613 288 HD3 ARG 34 3HD ARG 34 -11.274 6.531 11.476 289 HE ARG 34 HE ARG 34 -12.130 8.765 13.043 290 HH11 ARG 34 1HH1 ARG 34 -10.584 7.826 10.069 291 HH12 ARG 34 2HH1 ARG 34 -9.698 9.306 9.910 292 HH21 ARG 34 1HH2 ARG 34 -10.969 10.718 12.845 293 HH22 ARG 34 2HH2 ARG 34 -9.917 10.950 11.491 294 H ASN 35 H ASN 35 -12.847 4.150 6.968 295 HA ASN 35 HA ASN 35 -13.393 1.418 7.899 296 HB2 ASN 35 2HB ASN 35 -15.413 3.053 7.111 297 HB3 ASN 35 3HB ASN 35 -14.972 2.322 5.571 298 HD21 ASN 35 1HD2 ASN 35 -17.249 2.066 7.627 299 HD22 ASN 35 2HD2 ASN 35 -17.456 0.356 7.770 300 H MET 36 H MET 36 -12.844 3.439 5.019 301 HA MET 36 HA MET 36 -10.966 1.408 4.046 302 HB2 MET 36 2HB MET 36 -13.125 1.059 2.896 303 HB3 MET 36 3HB MET 36 -13.081 2.725 2.334 304 HG2 MET 36 2HG MET 36 -11.607 2.278 0.704 305 HG3 MET 36 3HG MET 36 -10.705 1.129 1.689 306 HE1 MET 36 3HE MET 36 -11.487 -0.214 -1.649 307 HE2 MET 36 1HE MET 36 -13.064 0.571 -1.754 308 HE3 MET 36 2HE MET 36 -11.654 1.491 -1.227 309 HA PRO 37 HA PRO 37 -9.175 5.678 3.929 310 HB2 PRO 37 2HB PRO 37 -6.765 4.937 4.936 311 HB3 PRO 37 3HB PRO 37 -8.144 5.358 5.958 312 HG2 PRO 37 2HG PRO 37 -7.129 2.656 5.164 313 HG3 PRO 37 3HG PRO 37 -7.691 3.218 6.749 314 HD2 PRO 37 2HD PRO 37 -9.246 1.747 5.090 315 HD3 PRO 37 3HD PRO 37 -9.913 2.972 6.189 316 H LEU 38 H LEU 38 -7.438 6.475 2.629 317 HA LEU 38 HA LEU 38 -6.591 4.568 0.554 318 HB2 LEU 38 2HB LEU 38 -7.974 6.880 0.243 319 HB3 LEU 38 3HB LEU 38 -6.319 7.448 0.027 320 HG LEU 38 HG LEU 38 -6.367 5.271 -1.613 321 HD11 LEU 38 1HD1 LEU 38 -8.580 5.956 -2.936 322 HD12 LEU 38 2HD1 LEU 38 -9.133 6.268 -1.291 323 HD13 LEU 38 3HD1 LEU 38 -8.546 4.665 -1.734 324 HD21 LEU 38 3HD2 LEU 38 -5.501 6.978 -2.757 325 HD22 LEU 38 1HD2 LEU 38 -6.454 8.166 -1.867 326 HD23 LEU 38 2HD2 LEU 38 -7.154 7.338 -3.258 327 H GLN 39 H GLN 39 -4.614 6.125 -0.631 328 HA GLN 39 HA GLN 39 -2.406 5.574 1.095 329 HB2 GLN 39 2HB GLN 39 -2.442 5.395 -1.445 330 HB3 GLN 39 3HB GLN 39 -2.306 7.148 -1.475 331 HG2 GLN 39 2HG GLN 39 -0.330 5.768 0.202 332 HG3 GLN 39 3HG GLN 39 -0.212 5.449 -1.528 333 HE21 GLN 39 1HE2 GLN 39 -0.793 7.736 -2.716 334 HE22 GLN 39 2HE2 GLN 39 0.289 8.997 -2.243 335 H SER 40 H SER 40 -3.864 8.549 -0.183 336 HA SER 40 HA SER 40 -3.052 10.014 2.156 337 HB2 SER 40 2HB SER 40 -1.566 10.256 -0.395 338 HB3 SER 40 3HB SER 40 -2.001 11.774 0.392 339 HG SER 40 HG SER 40 -0.953 11.023 2.268 340 H ILE 41 H ILE 41 -3.679 11.046 -1.188 341 HA ILE 41 HA ILE 41 -6.183 12.281 -0.241 342 HB ILE 41 HB ILE 41 -4.333 13.359 -2.371 343 HG12 ILE 41 2HG1 ILE 41 -4.953 14.542 0.338 344 HG13 ILE 41 3HG1 ILE 41 -3.538 13.543 0.026 345 HG21 ILE 41 1HG2 ILE 41 -5.848 15.368 -2.176 346 HG22 ILE 41 2HG2 ILE 41 -6.552 13.946 -2.945 347 HG23 ILE 41 3HG2 ILE 41 -6.957 14.336 -1.273 348 HD11 ILE 41 3HD1 ILE 41 -2.433 15.227 -0.911 349 HD12 ILE 41 1HD1 ILE 41 -3.826 15.727 -1.870 350 HD13 ILE 41 2HD1 ILE 41 -3.666 16.266 -0.198 351 HA PRO 42 HA PRO 42 -7.561 9.358 -3.433 352 HB2 PRO 42 2HB PRO 42 -10.111 9.237 -2.509 353 HB3 PRO 42 3HB PRO 42 -8.791 8.288 -1.814 354 HG2 PRO 42 2HG PRO 42 -9.993 10.853 -0.846 355 HG3 PRO 42 3HG PRO 42 -9.519 9.418 0.083 356 HD2 PRO 42 2HD PRO 42 -7.978 11.640 -0.054 357 HD3 PRO 42 3HD PRO 42 -7.291 10.010 0.099 358 H GLU 43 H GLU 43 -7.757 10.381 -5.340 359 HA GLU 43 HA GLU 43 -10.128 11.992 -5.805 360 HB2 GLU 43 2HB GLU 43 -8.083 13.464 -5.122 361 HB3 GLU 43 3HB GLU 43 -7.517 13.121 -6.751 362 HG2 GLU 43 2HG GLU 43 -9.874 13.934 -7.464 363 HG3 GLU 43 3HG GLU 43 -9.904 14.679 -5.867 364 H ILE 44 H ILE 44 -10.872 11.879 -7.886 365 HA ILE 44 HA ILE 44 -9.191 10.737 -9.965 366 HB ILE 44 HB ILE 44 -11.704 9.382 -8.992 367 HG12 ILE 44 2HG1 ILE 44 -9.900 7.421 -9.251 368 HG13 ILE 44 3HG1 ILE 44 -8.793 8.761 -8.969 369 HG21 ILE 44 1HG2 ILE 44 -12.121 8.911 -11.132 370 HG22 ILE 44 2HG2 ILE 44 -10.546 9.505 -11.656 371 HG23 ILE 44 3HG2 ILE 44 -10.712 7.855 -11.056 372 HD11 ILE 44 3HD1 ILE 44 -10.610 9.157 -6.998 373 HD12 ILE 44 1HD1 ILE 44 -10.614 7.398 -7.130 374 HD13 ILE 44 2HD1 ILE 44 -9.105 8.256 -6.816 375 H GLY 45 H GLY 45 -9.537 11.827 -11.782 376 HA2 GLY 45 2HA GLY 45 -10.915 12.612 -13.549 377 HA3 GLY 45 3HA GLY 45 -12.252 12.736 -12.415 378 H ASN 46 H ASN 46 -12.224 14.492 -10.868 379 HA ASN 46 HA ASN 46 -10.363 16.574 -10.862 380 HB2 ASN 46 2HB ASN 46 -11.645 16.606 -13.256 381 HB3 ASN 46 3HB ASN 46 -12.706 17.646 -12.309 382 HD21 ASN 46 1HD2 ASN 46 -12.118 19.687 -11.945 383 HD22 ASN 46 2HD2 ASN 46 -10.593 20.372 -12.380 384 H ARG 47 H ARG 47 -11.776 15.261 -8.916 385 HA ARG 47 HA ARG 47 -12.929 15.650 -6.994 386 HB2 ARG 47 2HB ARG 47 -13.189 18.540 -7.792 387 HB3 ARG 47 3HB ARG 47 -13.095 17.854 -6.175 388 HG2 ARG 47 2HG ARG 47 -10.771 17.352 -6.454 389 HG3 ARG 47 3HG ARG 47 -10.830 17.817 -8.155 390 HD2 ARG 47 2HD ARG 47 -11.826 19.999 -6.673 391 HD3 ARG 47 3HD ARG 47 -10.368 19.447 -5.849 392 HE ARG 47 HE ARG 47 -9.113 20.144 -7.648 393 HH11 ARG 47 1HH1 ARG 47 -12.496 20.214 -8.469 394 HH12 ARG 47 2HH1 ARG 47 -12.252 21.077 -9.951 395 HH21 ARG 47 1HH2 ARG 47 -8.779 21.280 -9.597 396 HH22 ARG 47 2HH2 ARG 47 -10.138 21.682 -10.593 397 H LYS 48 H LYS 48 -14.861 14.700 -7.050 398 HA LYS 48 HA LYS 48 -17.134 16.229 -8.059 399 HB2 LYS 48 2HB LYS 48 -16.135 13.692 -9.194 400 HB3 LYS 48 3HB LYS 48 -17.867 13.752 -8.893 401 HG2 LYS 48 2HG LYS 48 -18.201 15.476 -10.408 402 HG3 LYS 48 3HG LYS 48 -16.504 15.961 -10.378 403 HD2 LYS 48 2HD LYS 48 -17.448 13.317 -11.470 404 HD3 LYS 48 3HD LYS 48 -17.261 14.763 -12.464 405 HE2 LYS 48 2HE LYS 48 -14.904 14.354 -10.883 406 HE3 LYS 48 3HE LYS 48 -15.295 12.877 -11.763 407 HZ1 LYS 48 3HZ LYS 48 -15.586 14.534 -13.732 408 HZ2 LYS 48 1HZ LYS 48 -14.043 13.997 -13.294 409 HZ3 LYS 48 2HZ LYS 48 -14.577 15.525 -12.805 410 H ILE 49 H ILE 49 -15.880 15.064 -5.478 411 HA ILE 49 HA ILE 49 -18.005 13.346 -4.510 412 HB ILE 49 HB ILE 49 -15.928 14.512 -2.706 413 HG12 ILE 49 2HG1 ILE 49 -14.615 13.888 -4.632 414 HG13 ILE 49 3HG1 ILE 49 -14.386 12.665 -3.387 415 HG21 ILE 49 1HG2 ILE 49 -17.898 12.821 -2.196 416 HG22 ILE 49 2HG2 ILE 49 -16.712 11.649 -2.766 417 HG23 ILE 49 3HG2 ILE 49 -16.333 12.691 -1.394 418 HD11 ILE 49 3HD1 ILE 49 -15.337 12.377 -6.072 419 HD12 ILE 49 1HD1 ILE 49 -14.897 11.137 -4.898 420 HD13 ILE 49 2HD1 ILE 49 -16.540 11.779 -4.930 421 H ASN 50 H ASN 50 -17.566 16.633 -4.846 422 HA ASN 50 HA ASN 50 -18.768 17.530 -2.409 423 HB2 ASN 50 2HB ASN 50 -17.269 18.974 -3.725 424 HB3 ASN 50 3HB ASN 50 -18.429 18.969 -5.050 425 HD21 ASN 50 1HD2 ASN 50 -18.932 21.088 -5.086 426 HD22 ASN 50 2HD2 ASN 50 -19.696 21.928 -3.784 427 H LEU 51 H LEU 51 -20.853 18.425 -2.140 428 HA LEU 51 HA LEU 51 -22.919 16.970 -3.457 429 HB2 LEU 51 2HB LEU 51 -22.645 18.631 -1.144 430 HB3 LEU 51 3HB LEU 51 -24.037 19.165 -2.083 431 HG LEU 51 HG LEU 51 -25.026 16.958 -1.931 432 HD11 LEU 51 1HD1 LEU 51 -22.404 16.264 -0.672 433 HD12 LEU 51 2HD1 LEU 51 -23.293 15.424 -1.942 434 HD13 LEU 51 3HD1 LEU 51 -23.860 15.351 -0.274 435 HD21 LEU 51 3HD2 LEU 51 -24.150 17.563 0.860 436 HD22 LEU 51 1HD2 LEU 51 -25.743 17.109 0.256 437 HD23 LEU 51 2HD2 LEU 51 -25.122 18.734 -0.032 438 H PHE 52 H PHE 52 -21.387 20.003 -4.004 439 HA PHE 52 HA PHE 52 -23.552 20.974 -5.699 440 HB2 PHE 52 2HB PHE 52 -21.620 22.240 -4.121 441 HB3 PHE 52 3HB PHE 52 -21.129 22.563 -5.780 442 HD1 PHE 52 HD2 PHE 52 -23.928 22.875 -3.387 443 HD2 PHE 52 HD1 PHE 52 -22.278 24.126 -7.105 444 HE1 PHE 52 HE2 PHE 52 -25.618 24.657 -3.533 445 HE2 PHE 52 HE1 PHE 52 -23.964 25.911 -7.257 446 HZ PHE 52 HZ PHE 52 -25.638 26.177 -5.471 447 H TYR 53 H TYR 53 -20.298 19.687 -5.924 448 HA TYR 53 HA TYR 53 -19.961 20.231 -8.704 449 HB2 TYR 53 2HB TYR 53 -18.170 19.719 -6.879 450 HB3 TYR 53 3HB TYR 53 -18.504 18.035 -7.267 451 HD1 TYR 53 HD2 TYR 53 -18.641 17.711 -10.003 452 HD2 TYR 53 HD1 TYR 53 -16.296 20.571 -7.899 453 HE1 TYR 53 HE2 TYR 53 -17.097 17.842 -11.913 454 HE2 TYR 53 HE1 TYR 53 -14.747 20.711 -9.804 455 HH TYR 53 HH TYR 53 -15.452 19.237 -12.858 456 H LEU 54 H LEU 54 -20.732 17.278 -6.871 457 HA LEU 54 HA LEU 54 -21.020 15.572 -9.072 458 HB2 LEU 54 2HB LEU 54 -20.844 14.887 -6.682 459 HB3 LEU 54 3HB LEU 54 -22.510 15.415 -6.457 460 HG LEU 54 HG LEU 54 -23.241 13.707 -8.081 461 HD11 LEU 54 1HD1 LEU 54 -20.490 13.621 -8.708 462 HD12 LEU 54 2HD1 LEU 54 -21.806 12.700 -9.435 463 HD13 LEU 54 3HD1 LEU 54 -20.928 12.043 -8.054 464 HD21 LEU 54 3HD2 LEU 54 -23.055 11.854 -6.608 465 HD22 LEU 54 1HD2 LEU 54 -23.097 13.303 -5.604 466 HD23 LEU 54 2HD2 LEU 54 -21.566 12.480 -5.900 467 H TYR 55 H TYR 55 -23.209 17.879 -7.631 468 HA TYR 55 HA TYR 55 -25.539 16.929 -9.010 469 HB2 TYR 55 2HB TYR 55 -25.460 18.270 -6.818 470 HB3 TYR 55 3HB TYR 55 -25.210 19.684 -7.836 471 HD1 TYR 55 HD1 TYR 55 -27.462 16.701 -8.048 472 HD2 TYR 55 HD2 TYR 55 -27.132 20.943 -7.991 473 HE1 TYR 55 HE1 TYR 55 -29.893 16.889 -8.371 474 HE2 TYR 55 HE2 TYR 55 -29.562 21.142 -8.313 475 HH TYR 55 HH TYR 55 -31.672 18.388 -8.131 476 H MET 56 H MET 56 -23.302 19.655 -9.425 477 HA MET 56 HA MET 56 -24.553 20.845 -11.623 478 HB2 MET 56 2HB MET 56 -22.641 21.758 -10.208 479 HB3 MET 56 3HB MET 56 -21.569 20.776 -11.198 480 HG2 MET 56 2HG MET 56 -23.082 22.135 -13.054 481 HG3 MET 56 3HG MET 56 -22.833 23.322 -11.775 482 HE1 MET 56 3HE MET 56 -21.824 24.847 -13.000 483 HE2 MET 56 1HE MET 56 -20.272 24.942 -12.167 484 HE3 MET 56 2HE MET 56 -20.321 24.773 -13.921 485 H LEU 57 H LEU 57 -22.134 18.269 -11.464 486 HA LEU 57 HA LEU 57 -21.619 18.045 -14.208 487 HB2 LEU 57 2HB LEU 57 -20.282 16.990 -12.420 488 HB3 LEU 57 3HB LEU 57 -21.599 15.854 -12.136 489 HG LEU 57 HG LEU 57 -21.092 15.508 -14.808 490 HD11 LEU 57 1HD1 LEU 57 -19.131 16.629 -15.112 491 HD12 LEU 57 2HD1 LEU 57 -18.500 15.071 -14.581 492 HD13 LEU 57 3HD1 LEU 57 -18.614 16.411 -13.440 493 HD21 LEU 57 3HD2 LEU 57 -21.343 13.539 -13.741 494 HD22 LEU 57 1HD2 LEU 57 -20.496 14.091 -12.296 495 HD23 LEU 57 2HD2 LEU 57 -19.579 13.566 -13.708 496 H VAL 58 H VAL 58 -23.962 16.318 -12.166 497 HA VAL 58 HA VAL 58 -25.050 14.680 -14.155 498 HB VAL 58 HB VAL 58 -26.469 15.822 -11.743 499 HG11 VAL 58 1HG1 VAL 58 -27.078 13.423 -13.466 500 HG12 VAL 58 2HG1 VAL 58 -27.887 13.806 -11.945 501 HG13 VAL 58 3HG1 VAL 58 -28.039 14.894 -13.325 502 HG21 VAL 58 3HG2 VAL 58 -25.297 14.440 -10.450 503 HG22 VAL 58 1HG2 VAL 58 -25.603 13.078 -11.528 504 HG23 VAL 58 2HG2 VAL 58 -24.237 14.152 -11.830 505 H GLN 59 H GLN 59 -26.138 17.862 -12.987 506 HA GLN 59 HA GLN 59 -28.349 18.118 -14.683 507 HB2 GLN 59 2HB GLN 59 -27.636 19.557 -12.658 508 HB3 GLN 59 3HB GLN 59 -26.679 20.465 -13.822 509 HG2 GLN 59 2HG GLN 59 -29.153 20.315 -15.019 510 HG3 GLN 59 3HG GLN 59 -29.534 20.517 -13.309 511 HE21 GLN 59 1HE2 GLN 59 -29.847 22.340 -15.605 512 HE22 GLN 59 2HE2 GLN 59 -29.009 23.785 -15.165 513 H LYS 60 H LYS 60 -24.945 18.807 -15.189 514 HA LYS 60 HA LYS 60 -25.270 20.214 -17.641 515 HB2 LYS 60 2HB LYS 60 -23.104 19.403 -15.940 516 HB3 LYS 60 3HB LYS 60 -22.727 18.976 -17.604 517 HG2 LYS 60 2HG LYS 60 -21.978 21.069 -17.767 518 HG3 LYS 60 3HG LYS 60 -23.683 21.514 -17.883 519 HD2 LYS 60 2HD LYS 60 -23.760 21.872 -15.469 520 HD3 LYS 60 3HD LYS 60 -22.065 21.398 -15.336 521 HE2 LYS 60 2HE LYS 60 -21.993 23.728 -15.343 522 HE3 LYS 60 3HE LYS 60 -21.612 23.292 -17.008 523 HZ1 LYS 60 3HZ LYS 60 -23.171 24.951 -17.258 524 HZ2 LYS 60 1HZ LYS 60 -24.086 24.462 -15.921 525 HZ3 LYS 60 2HZ LYS 60 -24.138 23.566 -17.354 526 H PHE 61 H PHE 61 -24.835 16.836 -16.785 527 HA PHE 61 HA PHE 61 -24.426 15.951 -19.480 528 HB2 PHE 61 2HB PHE 61 -24.513 14.751 -16.822 529 HB3 PHE 61 3HB PHE 61 -25.280 13.741 -18.043 530 HD1 PHE 61 HD1 PHE 61 -23.964 13.099 -20.085 531 HD2 PHE 61 HD2 PHE 61 -22.181 14.911 -16.671 532 HE1 PHE 61 HE1 PHE 61 -21.753 12.311 -20.825 533 HE2 PHE 61 HE2 PHE 61 -19.968 14.126 -17.405 534 HZ PHE 61 HZ PHE 61 -19.752 12.825 -19.485 535 H GLY 62 H GLY 62 -27.114 17.035 -17.821 536 HA2 GLY 62 2HA GLY 62 -29.208 17.289 -18.945 537 HA3 GLY 62 3HA GLY 62 -28.880 15.802 -19.822 538 H GLY 63 H GLY 63 -28.312 15.976 -16.396 539 HA2 GLY 63 2HA GLY 63 -29.612 15.234 -14.604 540 HA3 GLY 63 3HA GLY 63 -30.905 14.851 -15.732 541 H ALA 64 H ALA 64 -30.032 13.194 -13.590 542 HA ALA 64 HA ALA 64 -28.255 11.176 -14.261 543 HB1 ALA 64 1HB ALA 64 -29.618 9.749 -12.702 544 HB2 ALA 64 2HB ALA 64 -29.078 11.292 -12.038 545 HB3 ALA 64 3HB ALA 64 -30.747 11.098 -12.575 546 H ASP 65 H ASP 65 -31.565 11.673 -15.279 547 HA ASP 65 HA ASP 65 -32.072 9.100 -16.307 548 HB2 ASP 65 2HB ASP 65 -33.215 11.666 -17.410 549 HB3 ASP 65 3HB ASP 65 -33.950 10.065 -17.413 550 H GLN 66 H GLN 66 -30.563 11.959 -17.705 551 HA GLN 66 HA GLN 66 -30.417 10.955 -20.359 552 HB2 GLN 66 2HB GLN 66 -30.263 13.359 -19.805 553 HB3 GLN 66 3HB GLN 66 -28.714 13.067 -19.026 554 HG2 GLN 66 2HG GLN 66 -27.601 12.909 -20.980 555 HG3 GLN 66 3HG GLN 66 -28.957 12.155 -21.818 556 HE21 GLN 66 1HE2 GLN 66 -30.951 13.881 -21.639 557 HE22 GLN 66 2HE2 GLN 66 -30.548 15.400 -22.356 558 H VAL 67 H VAL 67 -28.273 10.827 -17.572 559 HA VAL 67 HA VAL 67 -26.012 9.791 -18.927 560 HB VAL 67 HB VAL 67 -26.716 9.363 -16.023 561 HG11 VAL 67 1HG1 VAL 67 -24.064 9.444 -17.459 562 HG12 VAL 67 2HG1 VAL 67 -24.291 9.236 -15.721 563 HG13 VAL 67 3HG1 VAL 67 -24.866 8.000 -16.841 564 HG21 VAL 67 3HG2 VAL 67 -25.097 11.429 -15.851 565 HG22 VAL 67 1HG2 VAL 67 -25.705 11.760 -17.473 566 HG23 VAL 67 2HG2 VAL 67 -26.826 11.653 -16.116 567 H THR 68 H THR 68 -28.850 8.318 -17.496 568 HA THR 68 HA THR 68 -27.794 5.632 -17.817 569 HB THR 68 HB THR 68 -29.187 6.111 -15.860 570 HG1 THR 68 HG1 THR 68 -30.778 4.428 -17.464 571 HG21 THR 68 3HG2 THR 68 -31.583 6.539 -16.104 572 HG22 THR 68 1HG2 THR 68 -31.403 6.590 -17.857 573 HG23 THR 68 2HG2 THR 68 -30.635 7.822 -16.855 574 H ARG 69 H ARG 69 -29.940 7.840 -19.450 575 HA ARG 69 HA ARG 69 -31.401 6.098 -21.045 576 HB2 ARG 69 2HB ARG 69 -30.637 8.935 -21.145 577 HB3 ARG 69 3HB ARG 69 -30.977 8.224 -22.717 578 HG2 ARG 69 2HG ARG 69 -32.860 7.999 -20.388 579 HG3 ARG 69 3HG ARG 69 -32.916 9.327 -21.549 580 HD2 ARG 69 2HD ARG 69 -32.811 7.047 -23.123 581 HD3 ARG 69 3HD ARG 69 -33.878 6.602 -21.792 582 HE ARG 69 HE ARG 69 -34.592 9.141 -22.805 583 HH11 ARG 69 1HH1 ARG 69 -34.723 5.753 -23.595 584 HH12 ARG 69 2HH1 ARG 69 -36.142 5.903 -24.578 585 HH21 ARG 69 1HH2 ARG 69 -36.460 9.352 -24.096 586 HH22 ARG 69 2HH2 ARG 69 -37.129 7.951 -24.863 587 H THR 70 H THR 70 -28.151 7.400 -21.510 588 HA THR 70 HA THR 70 -27.858 5.782 -23.942 589 HB THR 70 HB THR 70 -25.596 7.093 -24.024 590 HG1 THR 70 HG1 THR 70 -26.014 9.249 -23.050 591 HG21 THR 70 3HG2 THR 70 -26.556 8.535 -25.529 592 HG22 THR 70 1HG2 THR 70 -27.941 8.871 -24.491 593 HG23 THR 70 2HG2 THR 70 -27.852 7.349 -25.377 594 H GLN 71 H GLN 71 -27.525 5.255 -20.806 595 HA GLN 71 HA GLN 71 -26.280 3.880 -19.488 596 HB2 GLN 71 2HB GLN 71 -26.897 2.424 -21.570 597 HB3 GLN 71 3HB GLN 71 -25.185 2.563 -21.946 598 HG2 GLN 71 2HG GLN 71 -25.040 1.825 -19.364 599 HG3 GLN 71 3HG GLN 71 -26.546 1.037 -19.832 600 HE21 GLN 71 1HE2 GLN 71 -26.427 -0.236 -21.883 601 HE22 GLN 71 2HE2 GLN 71 -24.995 -1.163 -22.157 602 H GLN 72 H GLN 72 -25.071 6.256 -19.781 603 HA GLN 72 HA GLN 72 -22.255 5.675 -20.386 604 HB2 GLN 72 2HB GLN 72 -23.609 8.350 -19.997 605 HB3 GLN 72 3HB GLN 72 -21.935 8.098 -20.471 606 HG2 GLN 72 2HG GLN 72 -24.149 6.966 -22.122 607 HG3 GLN 72 3HG GLN 72 -23.708 8.667 -22.265 608 HE21 GLN 72 1HE2 GLN 72 -21.542 9.180 -22.896 609 HE22 GLN 72 2HE2 GLN 72 -20.632 8.070 -23.857 610 H TRP 73 H TRP 73 -24.232 5.527 -17.836 611 HA TRP 73 HA TRP 73 -23.037 7.019 -15.805 612 HB2 TRP 73 2HB TRP 73 -24.774 4.627 -15.942 613 HB3 TRP 73 3HB TRP 73 -23.865 4.830 -14.447 614 HD1 TRP 73 HD1 TRP 73 -27.088 5.688 -15.841 615 HE1 TRP 73 HE1 TRP 73 -28.166 7.672 -14.605 616 HE3 TRP 73 HE3 TRP 73 -22.979 7.412 -13.334 617 HZ2 TRP 73 HZ2 TRP 73 -27.378 9.700 -12.807 618 HZ3 TRP 73 HZ3 TRP 73 -23.226 9.379 -11.876 619 HH2 TRP 73 HH2 TRP 73 -25.381 10.498 -11.620 620 H SER 74 H SER 74 -22.118 3.960 -17.242 621 HA SER 74 HA SER 74 -20.272 3.126 -15.289 622 HB2 SER 74 2HB SER 74 -20.624 1.380 -16.703 623 HB3 SER 74 3HB SER 74 -20.879 2.429 -18.098 624 HG SER 74 HG SER 74 -18.872 1.050 -17.954 625 H MET 75 H MET 75 -19.850 5.035 -18.252 626 HA MET 75 HA MET 75 -17.041 5.383 -17.888 627 HB2 MET 75 2HB MET 75 -19.107 6.360 -19.765 628 HB3 MET 75 3HB MET 75 -17.713 7.410 -19.552 629 HG2 MET 75 2HG MET 75 -16.754 4.768 -19.873 630 HG3 MET 75 3HG MET 75 -17.955 5.064 -21.128 631 HE1 MET 75 3HE MET 75 -15.107 4.380 -21.970 632 HE2 MET 75 1HE MET 75 -16.280 4.931 -23.166 633 HE3 MET 75 2HE MET 75 -14.669 5.647 -23.117 634 H VAL 76 H VAL 76 -19.889 7.398 -17.258 635 HA VAL 76 HA VAL 76 -18.511 9.692 -16.390 636 HB VAL 76 HB VAL 76 -21.246 8.760 -15.508 637 HG11 VAL 76 1HG1 VAL 76 -20.941 10.515 -14.115 638 HG12 VAL 76 2HG1 VAL 76 -19.690 11.241 -15.126 639 HG13 VAL 76 3HG1 VAL 76 -21.391 11.439 -15.548 640 HG21 VAL 76 3HG2 VAL 76 -20.331 9.474 -18.086 641 HG22 VAL 76 1HG2 VAL 76 -21.987 9.174 -17.559 642 HG23 VAL 76 2HG2 VAL 76 -21.323 10.806 -17.493 643 H ALA 77 H ALA 77 -19.995 7.054 -14.508 644 HA ALA 77 HA ALA 77 -19.293 7.929 -11.969 645 HB1 ALA 77 1HB ALA 77 -19.715 5.169 -13.078 646 HB2 ALA 77 2HB ALA 77 -19.376 5.459 -11.371 647 HB3 ALA 77 3HB ALA 77 -20.820 6.148 -12.113 648 H GLN 78 H GLN 78 -17.414 6.098 -14.324 649 HA GLN 78 HA GLN 78 -15.262 5.428 -12.633 650 HB2 GLN 78 2HB GLN 78 -15.646 4.340 -14.800 651 HB3 GLN 78 3HB GLN 78 -15.280 5.848 -15.627 652 HG2 GLN 78 2HG GLN 78 -13.039 5.669 -15.267 653 HG3 GLN 78 3HG GLN 78 -13.240 4.746 -13.778 654 HE21 GLN 78 1HE2 GLN 78 -11.381 3.752 -15.231 655 HE22 GLN 78 2HE2 GLN 78 -11.877 2.370 -16.140 656 H ARG 79 H ARG 79 -16.027 8.306 -14.467 657 HA ARG 79 HA ARG 79 -13.531 9.551 -14.486 658 HB2 ARG 79 2HB ARG 79 -15.982 10.210 -15.421 659 HB3 ARG 79 3HB ARG 79 -15.878 11.293 -14.039 660 HG2 ARG 79 2HG ARG 79 -14.822 12.686 -15.412 661 HG3 ARG 79 3HG ARG 79 -13.433 11.612 -15.241 662 HD2 ARG 79 2HD ARG 79 -13.572 11.585 -17.502 663 HD3 ARG 79 3HD ARG 79 -14.742 10.308 -17.170 664 HE ARG 79 HE ARG 79 -16.183 12.650 -17.177 665 HH11 ARG 79 1HH1 ARG 79 -14.156 10.929 -19.424 666 HH12 ARG 79 2HH1 ARG 79 -14.996 11.506 -20.825 667 HH21 ARG 79 1HH2 ARG 79 -17.296 13.417 -19.014 668 HH22 ARG 79 2HH2 ARG 79 -16.781 12.922 -20.591 669 H LEU 80 H LEU 80 -16.084 9.588 -12.031 670 HA LEU 80 HA LEU 80 -14.351 11.125 -10.242 671 HB2 LEU 80 2HB LEU 80 -16.436 11.083 -8.774 672 HB3 LEU 80 3HB LEU 80 -16.491 12.039 -10.254 673 HG LEU 80 HG LEU 80 -17.529 9.261 -10.385 674 HD11 LEU 80 1HD1 LEU 80 -18.385 10.219 -8.232 675 HD12 LEU 80 2HD1 LEU 80 -19.628 9.801 -9.411 676 HD13 LEU 80 3HD1 LEU 80 -19.161 11.486 -9.183 677 HD21 LEU 80 3HD2 LEU 80 -18.775 11.772 -11.442 678 HD22 LEU 80 1HD2 LEU 80 -18.900 10.122 -12.053 679 HD23 LEU 80 2HD2 LEU 80 -17.400 11.026 -12.258 680 H GLN 81 H GLN 81 -14.914 7.964 -10.987 681 HA GLN 81 HA GLN 81 -14.390 5.989 -9.989 682 HB2 GLN 81 2HB GLN 81 -12.345 7.307 -9.335 683 HB3 GLN 81 3HB GLN 81 -13.134 7.647 -7.800 684 HG2 GLN 81 2HG GLN 81 -12.052 5.825 -7.099 685 HG3 GLN 81 3HG GLN 81 -13.357 4.953 -7.902 686 HE21 GLN 81 1HE2 GLN 81 -10.963 3.735 -7.505 687 HE22 GLN 81 2HE2 GLN 81 -10.142 3.531 -9.011 688 H ILE 82 H ILE 82 -16.936 6.761 -9.599 689 HA ILE 82 HA ILE 82 -17.507 6.384 -6.746 690 HB ILE 82 HB ILE 82 -18.620 8.286 -7.810 691 HG12 ILE 82 2HG1 ILE 82 -20.880 6.398 -7.425 692 HG13 ILE 82 3HG1 ILE 82 -19.731 6.536 -6.099 693 HG21 ILE 82 1HG2 ILE 82 -20.349 7.911 -9.520 694 HG22 ILE 82 2HG2 ILE 82 -18.741 7.460 -10.084 695 HG23 ILE 82 3HG2 ILE 82 -19.885 6.211 -9.595 696 HD11 ILE 82 3HD1 ILE 82 -20.437 9.143 -7.036 697 HD12 ILE 82 1HD1 ILE 82 -21.893 8.212 -6.687 698 HD13 ILE 82 2HD1 ILE 82 -20.663 8.426 -5.441 699 H SER 83 H SER 83 -17.919 4.921 -9.893 700 HA SER 83 HA SER 83 -19.019 2.531 -8.574 701 HB2 SER 83 2HB SER 83 -19.822 3.386 -11.355 702 HB3 SER 83 3HB SER 83 -20.567 2.154 -10.337 703 HG SER 83 HG SER 83 -21.801 4.044 -10.294 704 H ASP 84 H ASP 84 -16.753 1.891 -8.547 705 HA ASP 84 HA ASP 84 -15.587 1.242 -11.146 706 HB2 ASP 84 2HB ASP 84 -14.545 1.442 -8.354 707 HB3 ASP 84 3HB ASP 84 -13.701 0.392 -9.489 708 H TYR 85 H TYR 85 -17.666 -0.272 -11.077 709 HA TYR 85 HA TYR 85 -18.363 -2.430 -11.285 710 HB2 TYR 85 2HB TYR 85 -15.642 -3.355 -10.384 711 HB3 TYR 85 3HB TYR 85 -16.783 -4.181 -11.440 712 HD1 TYR 85 HD1 TYR 85 -17.447 -2.505 -13.552 713 HD2 TYR 85 HD2 TYR 85 -13.742 -2.649 -11.466 714 HE1 TYR 85 HE1 TYR 85 -16.308 -1.567 -15.521 715 HE2 TYR 85 HE2 TYR 85 -12.593 -1.711 -13.428 716 HH TYR 85 HH TYR 85 -12.794 -1.184 -15.601 717 H GLN 86 H GLN 86 -16.988 -4.540 -9.503 718 HA GLN 86 HA GLN 86 -18.889 -4.717 -7.515 719 HB2 GLN 86 2HB GLN 86 -17.343 -6.266 -6.373 720 HB3 GLN 86 3HB GLN 86 -17.460 -6.589 -8.097 721 HG2 GLN 86 2HG GLN 86 -15.352 -5.175 -8.330 722 HG3 GLN 86 3HG GLN 86 -15.203 -5.333 -6.581 723 HE21 GLN 86 1HE2 GLN 86 -15.182 -7.549 -5.726 724 HE22 GLN 86 2HE2 GLN 86 -14.409 -8.781 -6.658 725 H GLN 87 H GLN 87 -15.871 -2.938 -7.524 726 HA GLN 87 HA GLN 87 -15.607 -2.406 -4.803 727 HB2 GLN 87 2HB GLN 87 -14.267 -1.672 -7.094 728 HB3 GLN 87 3HB GLN 87 -14.923 -0.141 -6.528 729 HG2 GLN 87 2HG GLN 87 -13.634 -0.115 -4.658 730 HG3 GLN 87 3HG GLN 87 -13.573 -1.873 -4.540 731 HE21 GLN 87 1HE2 GLN 87 -11.625 -2.650 -4.838 732 HE22 GLN 87 2HE2 GLN 87 -10.418 -2.016 -5.899 733 H LEU 88 H LEU 88 -17.851 -1.163 -7.120 734 HA LEU 88 HA LEU 88 -18.574 1.272 -6.023 735 HB2 LEU 88 2HB LEU 88 -19.494 0.650 -8.105 736 HB3 LEU 88 3HB LEU 88 -20.183 -0.831 -7.443 737 HG LEU 88 HG LEU 88 -21.843 0.459 -6.223 738 HD11 LEU 88 1HD1 LEU 88 -20.395 2.452 -5.861 739 HD12 LEU 88 2HD1 LEU 88 -22.029 2.835 -6.400 740 HD13 LEU 88 3HD1 LEU 88 -20.685 2.909 -7.539 741 HD21 LEU 88 3HD2 LEU 88 -21.659 0.213 -9.030 742 HD22 LEU 88 1HD2 LEU 88 -22.368 1.792 -8.689 743 HD23 LEU 88 2HD2 LEU 88 -23.112 0.332 -8.037 744 H GLU 89 H GLU 89 -19.220 -1.945 -4.880 745 HA GLU 89 HA GLU 89 -21.367 -1.314 -3.138 746 HB2 GLU 89 2HB GLU 89 -19.718 -3.624 -3.748 747 HB3 GLU 89 3HB GLU 89 -20.035 -3.496 -2.023 748 HG2 GLU 89 2HG GLU 89 -22.327 -3.711 -2.297 749 HG3 GLU 89 3HG GLU 89 -22.265 -3.260 -3.999 750 H SER 90 H SER 90 -17.861 -1.518 -2.693 751 HA SER 90 HA SER 90 -17.912 -1.007 0.102 752 HB2 SER 90 2HB SER 90 -15.420 -0.162 -0.824 753 HB3 SER 90 3HB SER 90 -15.825 -1.770 -0.224 754 HG SER 90 HG SER 90 -14.885 -1.459 -2.473 755 H ILE 91 H ILE 91 -17.419 1.042 -2.743 756 HA ILE 91 HA ILE 91 -16.878 3.427 -1.327 757 HB ILE 91 HB ILE 91 -18.095 3.192 -4.080 758 HG12 ILE 91 2HG1 ILE 91 -15.173 3.304 -3.300 759 HG13 ILE 91 3HG1 ILE 91 -16.016 1.853 -3.834 760 HG21 ILE 91 1HG2 ILE 91 -18.126 5.414 -3.968 761 HG22 ILE 91 2HG2 ILE 91 -17.246 5.415 -2.440 762 HG23 ILE 91 3HG2 ILE 91 -16.364 5.362 -3.966 763 HD11 ILE 91 3HD1 ILE 91 -16.570 3.538 -5.871 764 HD12 ILE 91 1HD1 ILE 91 -14.977 4.114 -5.381 765 HD13 ILE 91 2HD1 ILE 91 -15.203 2.425 -5.837 766 H TYR 92 H TYR 92 -19.866 2.027 -2.604 767 HA TYR 92 HA TYR 92 -21.527 4.231 -1.962 768 HB2 TYR 92 2HB TYR 92 -22.017 2.300 -3.573 769 HB3 TYR 92 3HB TYR 92 -22.456 1.369 -2.145 770 HD1 TYR 92 HD2 TYR 92 -23.130 4.883 -3.241 771 HD2 TYR 92 HD1 TYR 92 -24.744 1.151 -1.987 772 HE1 TYR 92 HE2 TYR 92 -25.394 5.842 -3.320 773 HE2 TYR 92 HE1 TYR 92 -27.012 2.099 -2.064 774 HH TYR 92 HH TYR 92 -27.750 4.977 -3.595 775 H PHE 93 H PHE 93 -20.616 1.296 -0.232 776 HA PHE 93 HA PHE 93 -22.416 1.592 1.923 777 HB2 PHE 93 2HB PHE 93 -21.064 -0.480 1.262 778 HB3 PHE 93 3HB PHE 93 -19.717 0.265 2.117 779 HD1 PHE 93 HD1 PHE 93 -23.313 -0.562 2.660 780 HD2 PHE 93 HD2 PHE 93 -19.404 -0.290 4.320 781 HE1 PHE 93 HE1 PHE 93 -24.152 -1.491 4.778 782 HE2 PHE 93 HE2 PHE 93 -20.236 -1.219 6.441 783 HZ PHE 93 HZ PHE 93 -22.613 -1.821 6.672 784 H ARG 94 H ARG 94 -18.975 2.449 1.606 785 HA ARG 94 HA ARG 94 -18.722 3.613 4.157 786 HB2 ARG 94 2HB ARG 94 -17.150 3.655 1.632 787 HB3 ARG 94 3HB ARG 94 -16.809 4.908 2.817 788 HG2 ARG 94 2HG ARG 94 -15.303 3.281 3.408 789 HG3 ARG 94 3HG ARG 94 -16.655 2.917 4.481 790 HD2 ARG 94 2HD ARG 94 -17.435 1.213 2.890 791 HD3 ARG 94 3HD ARG 94 -16.052 1.563 1.854 792 HE ARG 94 HE ARG 94 -14.881 0.947 4.195 793 HH11 ARG 94 1HH1 ARG 94 -17.333 -0.644 2.304 794 HH12 ARG 94 2HH1 ARG 94 -16.885 -2.235 2.823 795 HH21 ARG 94 1HH2 ARG 94 -14.282 -1.143 4.885 796 HH22 ARG 94 2HH2 ARG 94 -15.150 -2.518 4.292 797 H ILE 95 H ILE 95 -19.640 4.945 1.025 798 HA ILE 95 HA ILE 95 -19.688 7.662 1.908 799 HB ILE 95 HB ILE 95 -20.832 6.302 -0.525 800 HG12 ILE 95 2HG1 ILE 95 -18.613 8.338 -0.271 801 HG13 ILE 95 3HG1 ILE 95 -18.342 6.599 -0.291 802 HG21 ILE 95 1HG2 ILE 95 -20.978 9.198 0.280 803 HG22 ILE 95 2HG2 ILE 95 -21.205 8.638 -1.376 804 HG23 ILE 95 3HG2 ILE 95 -22.312 8.112 -0.109 805 HD11 ILE 95 3HD1 ILE 95 -19.479 8.293 -2.497 806 HD12 ILE 95 1HD1 ILE 95 -17.930 7.451 -2.474 807 HD13 ILE 95 2HD1 ILE 95 -19.434 6.531 -2.525 808 H LEU 96 H LEU 96 -21.929 5.019 1.971 809 HA LEU 96 HA LEU 96 -24.202 6.743 2.537 810 HB2 LEU 96 2HB LEU 96 -24.485 4.759 1.121 811 HB3 LEU 96 3HB LEU 96 -23.991 3.736 2.468 812 HG LEU 96 HG LEU 96 -26.232 5.418 3.190 813 HD11 LEU 96 1HD1 LEU 96 -27.876 4.712 1.711 814 HD12 LEU 96 2HD1 LEU 96 -26.876 3.413 1.061 815 HD13 LEU 96 3HD1 LEU 96 -26.519 5.091 0.650 816 HD21 LEU 96 3HD2 LEU 96 -25.461 2.543 3.252 817 HD22 LEU 96 1HD2 LEU 96 -27.157 2.972 3.475 818 HD23 LEU 96 2HD2 LEU 96 -25.933 3.616 4.570 819 H LEU 97 H LEU 97 -21.695 5.326 4.247 820 HA LEU 97 HA LEU 97 -22.693 4.322 6.569 821 HB2 LEU 97 2HB LEU 97 -20.325 6.042 5.987 822 HB3 LEU 97 3HB LEU 97 -20.710 5.637 7.658 823 HG LEU 97 HG LEU 97 -20.195 3.609 5.485 824 HD11 LEU 97 1HD1 LEU 97 -18.279 5.198 6.326 825 HD12 LEU 97 2HD1 LEU 97 -18.001 3.470 6.114 826 HD13 LEU 97 3HD1 LEU 97 -18.304 4.124 7.724 827 HD21 LEU 97 3HD2 LEU 97 -20.024 2.041 7.350 828 HD22 LEU 97 1HD2 LEU 97 -21.616 2.798 7.294 829 HD23 LEU 97 2HD2 LEU 97 -20.426 3.334 8.481 830 HA PRO 98 HA PRO 98 -24.941 7.398 8.745 831 HB2 PRO 98 2HB PRO 98 -24.214 6.926 11.318 832 HB3 PRO 98 3HB PRO 98 -25.270 5.843 10.404 833 HG2 PRO 98 2HG PRO 98 -22.335 5.613 10.951 834 HG3 PRO 98 3HG PRO 98 -23.586 4.356 11.006 835 HD2 PRO 98 2HD PRO 98 -21.905 4.649 8.903 836 HD3 PRO 98 3HD PRO 98 -23.572 4.067 8.719 837 H TYR 99 H TYR 99 -21.514 7.175 9.632 838 HA TYR 99 HA TYR 99 -21.370 9.750 10.821 839 HB2 TYR 99 2HB TYR 99 -19.452 7.637 10.032 840 HB3 TYR 99 3HB TYR 99 -18.804 9.271 10.123 841 HD1 TYR 99 HD1 TYR 99 -20.686 6.734 12.087 842 HD2 TYR 99 HD2 TYR 99 -18.215 10.196 12.190 843 HE1 TYR 99 HE1 TYR 99 -20.483 6.508 14.527 844 HE2 TYR 99 HE2 TYR 99 -18.005 9.980 14.631 845 HH TYR 99 HH TYR 99 -19.990 8.022 16.481 846 H GLU 100 H GLU 100 -20.557 8.507 7.601 847 HA GLU 100 HA GLU 100 -19.556 10.942 6.577 848 HB2 GLU 100 2HB GLU 100 -20.745 8.553 5.159 849 HB3 GLU 100 3HB GLU 100 -19.930 9.883 4.347 850 HG2 GLU 100 2HG GLU 100 -18.181 9.003 6.356 851 HG3 GLU 100 3HG GLU 100 -18.818 7.555 5.579 852 H ARG 101 H ARG 101 -22.748 9.399 6.316 853 HA ARG 101 HA ARG 101 -23.939 11.430 4.765 854 HB2 ARG 101 2HB ARG 101 -26.025 10.373 5.243 855 HB3 ARG 101 3HB ARG 101 -24.822 9.100 5.089 856 HG2 ARG 101 2HG ARG 101 -24.664 8.990 7.545 857 HG3 ARG 101 3HG ARG 101 -25.935 10.209 7.657 858 HD2 ARG 101 2HD ARG 101 -26.248 7.557 6.261 859 HD3 ARG 101 3HD ARG 101 -26.729 7.858 7.930 860 HE ARG 101 HE ARG 101 -28.136 8.638 5.567 861 HH11 ARG 101 1HH1 ARG 101 -27.512 9.481 8.886 862 HH12 ARG 101 2HH1 ARG 101 -29.000 10.346 9.083 863 HH21 ARG 101 1HH2 ARG 101 -30.098 9.774 5.813 864 HH22 ARG 101 2HH2 ARG 101 -30.471 10.511 7.334 865 H HIS 102 H HIS 102 -23.531 11.007 8.223 866 HA HIS 102 HA HIS 102 -25.326 13.047 9.034 867 HB2 HIS 102 2HB HIS 102 -24.654 11.369 10.625 868 HB3 HIS 102 3HB HIS 102 -22.955 11.792 10.427 869 HD1 HIS 102 HD1 HIS 102 -26.167 13.330 11.740 870 HD2 HIS 102 HD2 HIS 102 -22.050 13.643 12.201 871 HE1 HIS 102 HE1 HIS 102 -25.823 14.941 13.641 872 H MET 103 H MET 103 -21.798 12.997 8.587 873 HA MET 103 HA MET 103 -21.305 15.651 9.319 874 HB2 MET 103 2HB MET 103 -19.868 13.594 7.723 875 HB3 MET 103 3HB MET 103 -19.333 15.261 7.559 876 HG2 MET 103 2HG MET 103 -19.586 13.809 10.181 877 HG3 MET 103 3HG MET 103 -18.092 13.957 9.258 878 HE1 MET 103 3HE MET 103 -18.527 15.636 12.611 879 HE2 MET 103 1HE MET 103 -17.602 14.457 11.680 880 HE3 MET 103 2HE MET 103 -16.979 16.092 11.900 881 H ILE 104 H ILE 104 -22.025 14.235 6.147 882 HA ILE 104 HA ILE 104 -21.880 16.746 4.776 883 HB ILE 104 HB ILE 104 -22.676 15.575 2.834 884 HG12 ILE 104 2HG1 ILE 104 -23.313 13.299 4.723 885 HG13 ILE 104 3HG1 ILE 104 -24.484 14.296 3.867 886 HG21 ILE 104 1HG2 ILE 104 -21.088 13.342 3.748 887 HG22 ILE 104 2HG2 ILE 104 -20.706 14.582 2.555 888 HG23 ILE 104 3HG2 ILE 104 -20.398 14.880 4.265 889 HD11 ILE 104 3HD1 ILE 104 -24.443 12.444 2.540 890 HD12 ILE 104 1HD1 ILE 104 -23.205 13.425 1.754 891 HD13 ILE 104 2HD1 ILE 104 -22.737 12.122 2.848 892 H SER 105 H SER 105 -24.306 15.053 6.538 893 HA SER 105 HA SER 105 -26.624 16.098 5.342 894 HB2 SER 105 2HB SER 105 -25.946 14.661 7.790 895 HB3 SER 105 3HB SER 105 -27.267 15.805 8.026 896 HG SER 105 HG SER 105 -27.160 13.867 5.954 897 H GLN 106 H GLN 106 -24.410 17.412 7.713 898 HA GLN 106 HA GLN 106 -25.942 19.495 8.736 899 HB2 GLN 106 2HB GLN 106 -23.028 18.994 8.407 900 HB3 GLN 106 3HB GLN 106 -23.531 20.637 8.786 901 HG2 GLN 106 2HG GLN 106 -24.870 19.567 10.696 902 HG3 GLN 106 3HG GLN 106 -23.864 18.148 10.411 903 HE21 GLN 106 1HE2 GLN 106 -22.708 18.188 12.268 904 HE22 GLN 106 2HE2 GLN 106 -21.620 19.457 12.703 905 H GLU 107 H GLU 107 -23.933 19.385 5.819 906 HA GLU 107 HA GLU 107 -25.021 22.005 5.038 907 HB2 GLU 107 2HB GLU 107 -22.422 21.287 5.143 908 HB3 GLU 107 3HB GLU 107 -22.793 20.818 3.489 909 HG2 GLU 107 2HG GLU 107 -22.021 22.987 3.273 910 HG3 GLU 107 3HG GLU 107 -23.774 23.176 3.253 911 H GLY 108 H GLY 108 -26.289 19.295 4.782 912 HA2 GLY 108 2HA GLY 108 -27.352 19.664 2.161 913 HA3 GLY 108 3HA GLY 108 -26.267 18.284 2.215 914 H ILE 109 H ILE 109 -28.658 19.539 4.535 915 HA ILE 109 HA ILE 109 -29.532 17.047 5.414 916 HB ILE 109 HB ILE 109 -31.631 18.272 6.126 917 HG12 ILE 109 2HG1 ILE 109 -30.137 20.707 5.143 918 HG13 ILE 109 3HG1 ILE 109 -31.456 19.960 4.247 919 HG21 ILE 109 1HG2 ILE 109 -30.546 19.353 7.922 920 HG22 ILE 109 2HG2 ILE 109 -29.490 18.021 7.454 921 HG23 ILE 109 3HG2 ILE 109 -29.102 19.668 6.960 922 HD11 ILE 109 3HD1 ILE 109 -33.043 20.674 5.723 923 HD12 ILE 109 1HD1 ILE 109 -31.916 20.736 7.078 924 HD13 ILE 109 2HD1 ILE 109 -31.876 21.992 5.839 925 H LYS 110 H LYS 110 -30.310 18.794 2.539 926 HA LYS 110 HA LYS 110 -32.807 17.733 1.896 927 HB2 LYS 110 2HB LYS 110 -30.777 19.250 0.584 928 HB3 LYS 110 3HB LYS 110 -31.274 17.953 -0.494 929 HG2 LYS 110 2HG LYS 110 -32.643 19.800 -1.002 930 HG3 LYS 110 3HG LYS 110 -33.652 18.680 -0.083 931 HD2 LYS 110 2HD LYS 110 -34.123 20.349 1.310 932 HD3 LYS 110 3HD LYS 110 -32.432 20.340 1.817 933 HE2 LYS 110 2HE LYS 110 -31.864 21.981 0.169 934 HE3 LYS 110 3HE LYS 110 -33.466 21.876 -0.561 935 HZ1 LYS 110 3HZ LYS 110 -32.613 23.536 1.531 936 HZ2 LYS 110 1HZ LYS 110 -33.792 22.488 2.143 937 HZ3 LYS 110 2HZ LYS 110 -34.140 23.462 0.805 938 H GLU 111 H GLU 111 -29.662 16.284 1.843 939 HA GLU 111 HA GLU 111 -30.341 14.120 0.092 940 HB2 GLU 111 2HB GLU 111 -27.987 15.149 1.130 941 HB3 GLU 111 3HB GLU 111 -28.150 13.601 1.947 942 HG2 GLU 111 2HG GLU 111 -28.010 12.396 -0.017 943 HG3 GLU 111 3HG GLU 111 -28.491 13.768 -1.013 944 H THR 112 H THR 112 -30.658 14.761 3.477 945 HA THR 112 HA THR 112 -30.830 12.117 4.438 946 HB THR 112 HB THR 112 -32.265 14.522 5.574 947 HG1 THR 112 HG1 THR 112 -29.704 13.632 6.384 948 HG21 THR 112 3HG2 THR 112 -31.256 12.837 7.581 949 HG22 THR 112 1HG2 THR 112 -32.009 11.777 6.391 950 HG23 THR 112 2HG2 THR 112 -32.943 13.077 7.130 951 H GLN 113 H GLN 113 -33.371 14.412 3.457 952 HA GLN 113 HA GLN 113 -35.547 12.700 3.911 953 HB2 GLN 113 2HB GLN 113 -35.108 15.162 2.279 954 HB3 GLN 113 3HB GLN 113 -36.582 14.237 2.026 955 HG2 GLN 113 2HG GLN 113 -37.413 15.507 3.657 956 HG3 GLN 113 3HG GLN 113 -36.531 14.424 4.732 957 HE21 GLN 113 1HE2 GLN 113 -37.221 17.086 5.333 958 HE22 GLN 113 2HE2 GLN 113 -35.760 17.991 5.510 959 H ALA 114 H ALA 114 -33.208 12.789 1.390 960 HA ALA 114 HA ALA 114 -34.715 11.505 -0.644 961 HB1 ALA 114 1HB ALA 114 -32.919 12.049 -1.822 962 HB2 ALA 114 2HB ALA 114 -32.086 12.525 -0.341 963 HB3 ALA 114 3HB ALA 114 -31.965 10.866 -0.926 964 H LYS 115 H LYS 115 -33.035 10.374 2.168 965 HA LYS 115 HA LYS 115 -34.057 7.707 1.749 966 HB2 LYS 115 2HB LYS 115 -31.852 7.770 0.528 967 HB3 LYS 115 3HB LYS 115 -31.076 8.067 2.078 968 HG2 LYS 115 2HG LYS 115 -31.998 5.929 2.906 969 HG3 LYS 115 3HG LYS 115 -32.656 5.626 1.296 970 HD2 LYS 115 2HD LYS 115 -29.739 6.201 1.701 971 HD3 LYS 115 3HD LYS 115 -30.387 4.573 1.912 972 HE2 LYS 115 2HE LYS 115 -30.533 4.251 -0.291 973 HE3 LYS 115 3HE LYS 115 -31.324 5.807 -0.539 974 HZ1 LYS 115 3HZ LYS 115 -29.448 6.459 -1.497 975 HZ2 LYS 115 1HZ LYS 115 -28.613 5.074 -1.000 976 HZ3 LYS 115 2HZ LYS 115 -28.709 6.416 0.024 977 H ARG 116 H ARG 116 -35.001 7.348 3.644 978 HA ARG 116 HA ARG 116 -35.421 7.302 5.883 979 HB2 ARG 116 2HB ARG 116 -32.663 6.425 5.490 980 HB3 ARG 116 3HB ARG 116 -32.952 7.061 7.104 981 HG2 ARG 116 2HG ARG 116 -33.903 5.158 7.699 982 HG3 ARG 116 3HG ARG 116 -35.110 5.344 6.425 983 HD2 ARG 116 2HD ARG 116 -33.910 3.226 6.214 984 HD3 ARG 116 3HD ARG 116 -33.610 4.276 4.831 985 HE ARG 116 HE ARG 116 -31.399 4.284 5.387 986 HH11 ARG 116 1HH1 ARG 116 -33.246 3.330 8.180 987 HH12 ARG 116 2HH1 ARG 116 -31.850 2.972 9.142 988 HH21 ARG 116 1HH2 ARG 116 -29.554 3.816 6.644 989 HH22 ARG 116 2HH2 ARG 116 -29.751 3.250 8.268 Start of MODEL 7 1 H1 GLN 1 H GLN 1 0.423 1.419 -5.848 2 HA GLN 1 HA GLN 1 -1.212 0.981 -4.099 3 HB2 GLN 1 2HB GLN 1 0.746 -1.232 -3.525 4 HB3 GLN 1 3HB GLN 1 -0.418 -0.695 -2.321 5 HG2 GLN 1 2HG GLN 1 -2.240 -1.207 -3.900 6 HG3 GLN 1 3HG GLN 1 -1.045 -1.824 -5.040 7 HE21 GLN 1 1HE2 GLN 1 -1.742 -2.185 -1.574 8 HE22 GLN 1 2HE2 GLN 1 -1.650 -3.910 -1.563 9 H SER 2 H SER 2 -1.021 1.656 -1.820 10 HA SER 2 HA SER 2 -0.253 3.119 -0.256 11 HB2 SER 2 2HB SER 2 2.513 2.184 -1.038 12 HB3 SER 2 3HB SER 2 1.997 2.834 0.518 13 HG SER 2 HG SER 2 1.607 0.846 1.040 14 H LEU 3 H LEU 3 -0.826 4.291 -2.660 15 HA LEU 3 HA LEU 3 0.487 6.751 -2.489 16 HB2 LEU 3 2HB LEU 3 2.087 4.937 -3.762 17 HB3 LEU 3 3HB LEU 3 1.251 5.701 -5.113 18 HG LEU 3 HG LEU 3 2.031 7.898 -3.799 19 HD11 LEU 3 1HD1 LEU 3 3.341 7.306 -2.077 20 HD12 LEU 3 2HD1 LEU 3 4.572 7.090 -3.320 21 HD13 LEU 3 3HD1 LEU 3 3.659 5.700 -2.734 22 HD21 LEU 3 3HD2 LEU 3 3.609 8.184 -5.475 23 HD22 LEU 3 1HD2 LEU 3 2.496 7.011 -6.181 24 HD23 LEU 3 2HD2 LEU 3 4.035 6.472 -5.506 25 H ASN 4 H ASN 4 0.147 7.970 -4.785 26 HA ASN 4 HA ASN 4 -2.664 7.444 -5.476 27 HB2 ASN 4 2HB ASN 4 -2.444 9.908 -6.348 28 HB3 ASN 4 3HB ASN 4 -2.648 9.600 -4.626 29 HD21 ASN 4 1HD2 ASN 4 -0.038 9.830 -7.021 30 HD22 ASN 4 2HD2 ASN 4 1.030 10.746 -6.018 31 HA PRO 5 HA PRO 5 -1.709 6.609 -9.676 32 HB2 PRO 5 2HB PRO 5 -3.766 7.810 -10.979 33 HB3 PRO 5 3HB PRO 5 -3.963 6.333 -10.028 34 HG2 PRO 5 2HG PRO 5 -4.561 9.167 -9.272 35 HG3 PRO 5 3HG PRO 5 -5.518 7.704 -8.975 36 HD2 PRO 5 2HD PRO 5 -3.959 8.835 -7.072 37 HD3 PRO 5 3HD PRO 5 -4.241 7.085 -7.159 38 H ALA 6 H ALA 6 -2.303 9.961 -8.808 39 HA ALA 6 HA ALA 6 -1.479 11.933 -9.594 40 HB1 ALA 6 1HB ALA 6 0.797 10.444 -10.841 41 HB2 ALA 6 2HB ALA 6 0.795 12.015 -10.038 42 HB3 ALA 6 3HB ALA 6 0.639 10.539 -9.087 43 H LEU 7 H LEU 7 -3.167 10.179 -11.361 44 HA LEU 7 HA LEU 7 -2.321 11.179 -13.992 45 HB2 LEU 7 2HB LEU 7 -3.307 8.692 -13.144 46 HB3 LEU 7 3HB LEU 7 -4.604 9.434 -14.081 47 HG LEU 7 HG LEU 7 -3.318 8.045 -15.539 48 HD11 LEU 7 1HD1 LEU 7 -2.360 10.824 -16.134 49 HD12 LEU 7 2HD1 LEU 7 -4.059 10.376 -16.272 50 HD13 LEU 7 3HD1 LEU 7 -2.849 9.556 -17.258 51 HD21 LEU 7 3HD2 LEU 7 -0.956 9.505 -14.390 52 HD22 LEU 7 1HD2 LEU 7 -0.872 8.623 -15.915 53 HD23 LEU 7 2HD2 LEU 7 -1.266 7.768 -14.423 54 H GLN 8 H GLN 8 -5.139 10.939 -11.851 55 HA GLN 8 HA GLN 8 -6.209 13.360 -13.110 56 HB2 GLN 8 2HB GLN 8 -7.608 10.728 -12.780 57 HB3 GLN 8 3HB GLN 8 -8.530 12.225 -12.754 58 HG2 GLN 8 2HG GLN 8 -8.194 12.640 -14.962 59 HG3 GLN 8 3HG GLN 8 -6.634 11.819 -14.993 60 HE21 GLN 8 1HE2 GLN 8 -8.720 11.518 -16.893 61 HE22 GLN 8 2HE2 GLN 8 -9.242 9.872 -16.840 62 H GLU 9 H GLU 9 -4.833 13.463 -10.797 63 HA GLU 9 HA GLU 9 -6.930 13.743 -8.744 64 HB2 GLU 9 2HB GLU 9 -5.102 13.457 -7.066 65 HB3 GLU 9 3HB GLU 9 -5.406 12.028 -8.044 66 HG2 GLU 9 2HG GLU 9 -3.409 12.174 -9.136 67 HG3 GLU 9 3HG GLU 9 -3.304 13.923 -8.941 68 H LYS 10 H LYS 10 -7.038 15.853 -10.092 69 HA LYS 10 HA LYS 10 -4.995 17.798 -9.424 70 HB2 LYS 10 2HB LYS 10 -7.465 17.807 -11.119 71 HB3 LYS 10 3HB LYS 10 -6.756 19.336 -10.615 72 HG2 LYS 10 2HG LYS 10 -4.939 17.330 -11.816 73 HG3 LYS 10 3HG LYS 10 -6.095 18.130 -12.884 74 HD2 LYS 10 2HD LYS 10 -5.154 20.210 -12.562 75 HD3 LYS 10 3HD LYS 10 -4.474 19.775 -10.993 76 HE2 LYS 10 2HE LYS 10 -2.585 19.819 -12.305 77 HE3 LYS 10 3HE LYS 10 -3.032 18.117 -12.404 78 HZ1 LYS 10 3HZ LYS 10 -3.898 18.401 -14.542 79 HZ2 LYS 10 1HZ LYS 10 -2.453 19.280 -14.558 80 HZ3 LYS 10 2HZ LYS 10 -3.932 20.088 -14.417 81 H ILE 11 H ILE 11 -6.068 20.078 -8.830 82 HA ILE 11 HA ILE 11 -8.165 19.831 -6.845 83 HB ILE 11 HB ILE 11 -6.074 19.246 -5.616 84 HG12 ILE 11 2HG1 ILE 11 -6.466 20.820 -3.744 85 HG13 ILE 11 3HG1 ILE 11 -7.410 21.844 -4.821 86 HG21 ILE 11 1HG2 ILE 11 -5.218 22.093 -5.758 87 HG22 ILE 11 2HG2 ILE 11 -4.270 20.644 -5.431 88 HG23 ILE 11 3HG2 ILE 11 -4.783 21.008 -7.079 89 HD11 ILE 11 3HD1 ILE 11 -8.288 19.683 -3.250 90 HD12 ILE 11 1HD1 ILE 11 -9.223 20.668 -4.375 91 HD13 ILE 11 2HD1 ILE 11 -8.437 19.192 -4.937 92 H SER 12 H SER 12 -9.134 21.789 -6.314 93 HA SER 12 HA SER 12 -9.795 23.950 -6.588 94 HB2 SER 12 2HB SER 12 -7.317 24.302 -5.924 95 HB3 SER 12 3HB SER 12 -7.059 24.644 -7.635 96 HG SER 12 HG SER 12 -7.861 26.545 -7.300 97 H THR 13 H THR 13 -10.563 25.363 -8.200 98 HA THR 13 HA THR 13 -9.993 24.552 -10.971 99 HB THR 13 HB THR 13 -12.746 25.235 -9.925 100 HG1 THR 13 HG1 THR 13 -11.726 22.695 -10.720 101 HG21 THR 13 3HG2 THR 13 -13.121 23.945 -12.267 102 HG22 THR 13 1HG2 THR 13 -11.594 24.760 -12.601 103 HG23 THR 13 2HG2 THR 13 -13.009 25.699 -12.125 104 H GLU 14 H GLU 14 -11.515 27.046 -8.936 105 HA GLU 14 HA GLU 14 -10.338 29.081 -10.695 106 HB2 GLU 14 2HB GLU 14 -13.124 28.518 -10.414 107 HB3 GLU 14 3HB GLU 14 -12.801 30.090 -9.697 108 HG2 GLU 14 2HG GLU 14 -12.300 31.050 -11.677 109 HG3 GLU 14 3HG GLU 14 -11.586 29.580 -12.336 110 H LEU 15 H LEU 15 -10.259 27.828 -7.765 111 HA LEU 15 HA LEU 15 -9.298 28.605 -5.834 112 HB2 LEU 15 2HB LEU 15 -8.592 30.544 -7.576 113 HB3 LEU 15 3HB LEU 15 -9.610 31.466 -6.472 114 HG LEU 15 HG LEU 15 -8.129 30.508 -4.610 115 HD11 LEU 15 1HD1 LEU 15 -7.106 28.915 -6.473 116 HD12 LEU 15 2HD1 LEU 15 -6.168 29.471 -5.087 117 HD13 LEU 15 3HD1 LEU 15 -5.993 30.272 -6.649 118 HD21 LEU 15 3HD2 LEU 15 -6.265 32.197 -5.298 119 HD22 LEU 15 1HD2 LEU 15 -7.894 32.775 -4.947 120 HD23 LEU 15 2HD2 LEU 15 -7.369 32.582 -6.619 121 H ASN 16 H ASN 16 -12.278 29.561 -7.108 122 HA ASN 16 HA ASN 16 -13.227 30.661 -4.569 123 HB2 ASN 16 2HB ASN 16 -13.879 31.128 -7.301 124 HB3 ASN 16 3HB ASN 16 -15.315 30.488 -6.509 125 HD21 ASN 16 1HD2 ASN 16 -14.919 33.128 -7.545 126 HD22 ASN 16 2HD2 ASN 16 -15.084 34.222 -6.219 127 H ASN 17 H ASN 17 -13.946 28.047 -6.859 128 HA ASN 17 HA ASN 17 -15.956 26.883 -5.175 129 HB2 ASN 17 2HB ASN 17 -14.568 25.986 -7.695 130 HB3 ASN 17 3HB ASN 17 -15.687 24.935 -6.832 131 HD21 ASN 17 1HD2 ASN 17 -17.570 24.909 -7.805 132 HD22 ASN 17 2HD2 ASN 17 -18.386 26.269 -8.490 133 H LYS 18 H LYS 18 -12.551 26.751 -5.329 134 HA LYS 18 HA LYS 18 -11.912 24.199 -4.508 135 HB2 LYS 18 2HB LYS 18 -10.470 26.411 -4.934 136 HB3 LYS 18 3HB LYS 18 -10.484 26.441 -3.175 137 HG2 LYS 18 2HG LYS 18 -9.734 23.930 -4.600 138 HG3 LYS 18 3HG LYS 18 -8.562 25.241 -4.449 139 HD2 LYS 18 2HD LYS 18 -10.046 24.325 -2.027 140 HD3 LYS 18 3HD LYS 18 -8.701 23.355 -2.631 141 HE2 LYS 18 2HE LYS 18 -7.844 26.041 -2.635 142 HE3 LYS 18 3HE LYS 18 -8.645 25.766 -1.090 143 HZ1 LYS 18 3HZ LYS 18 -6.737 23.756 -2.033 144 HZ2 LYS 18 1HZ LYS 18 -7.103 24.239 -0.454 145 HZ3 LYS 18 2HZ LYS 18 -6.122 25.211 -1.430 146 H GLN 19 H GLN 19 -13.157 26.880 -2.599 147 HA GLN 19 HA GLN 19 -12.769 25.751 -0.051 148 HB2 GLN 19 2HB GLN 19 -14.457 27.921 -1.182 149 HB3 GLN 19 3HB GLN 19 -14.905 27.292 0.398 150 HG2 GLN 19 2HG GLN 19 -13.013 28.082 1.408 151 HG3 GLN 19 3HG GLN 19 -12.071 28.047 -0.082 152 HE21 GLN 19 1HE2 GLN 19 -11.573 29.968 -0.826 153 HE22 GLN 19 2HE2 GLN 19 -12.510 31.409 -0.653 154 H TYR 20 H TYR 20 -15.546 25.658 -2.259 155 HA TYR 20 HA TYR 20 -17.179 24.101 -0.527 156 HB2 TYR 20 2HB TYR 20 -17.316 24.712 -3.478 157 HB3 TYR 20 3HB TYR 20 -18.508 23.703 -2.666 158 HD1 TYR 20 HD2 TYR 20 -20.072 24.671 -1.061 159 HD2 TYR 20 HD1 TYR 20 -17.237 27.101 -3.101 160 HE1 TYR 20 HE2 TYR 20 -21.326 26.680 -0.397 161 HE2 TYR 20 HE1 TYR 20 -18.483 29.117 -2.442 162 HH TYR 20 HH TYR 20 -20.085 29.900 -0.994 163 H GLU 21 H GLU 21 -15.186 23.312 -3.360 164 HA GLU 21 HA GLU 21 -15.773 20.569 -3.443 165 HB2 GLU 21 2HB GLU 21 -13.824 22.376 -4.654 166 HB3 GLU 21 3HB GLU 21 -13.178 20.764 -4.379 167 HG2 GLU 21 2HG GLU 21 -14.053 20.404 -6.422 168 HG3 GLU 21 3HG GLU 21 -15.509 20.089 -5.480 169 H LEU 22 H LEU 22 -13.139 22.330 -1.843 170 HA LEU 22 HA LEU 22 -11.892 20.019 -0.768 171 HB2 LEU 22 2HB LEU 22 -10.847 22.285 -1.096 172 HB3 LEU 22 3HB LEU 22 -11.746 22.822 0.321 173 HG LEU 22 HG LEU 22 -10.144 20.428 0.805 174 HD11 LEU 22 1HD1 LEU 22 -8.910 22.834 -0.407 175 HD12 LEU 22 2HD1 LEU 22 -8.414 21.143 -0.479 176 HD13 LEU 22 3HD1 LEU 22 -8.085 22.097 0.967 177 HD21 LEU 22 3HD2 LEU 22 -11.324 22.366 2.299 178 HD22 LEU 22 1HD2 LEU 22 -9.646 22.911 2.286 179 HD23 LEU 22 2HD2 LEU 22 -10.043 21.296 2.873 180 H PHE 23 H PHE 23 -14.459 22.122 0.328 181 HA PHE 23 HA PHE 23 -14.523 21.483 3.035 182 HB2 PHE 23 2HB PHE 23 -16.288 22.730 1.116 183 HB3 PHE 23 3HB PHE 23 -17.202 21.725 2.236 184 HD1 PHE 23 HD2 PHE 23 -15.941 22.002 4.759 185 HD2 PHE 23 HD1 PHE 23 -16.446 24.934 1.715 186 HE1 PHE 23 HE2 PHE 23 -15.817 23.780 6.455 187 HE2 PHE 23 HE1 PHE 23 -16.322 26.717 3.406 188 HZ PHE 23 HZ PHE 23 -16.009 26.141 5.780 189 H MET 24 H MET 24 -16.256 19.923 0.344 190 HA MET 24 HA MET 24 -17.267 17.829 2.033 191 HB2 MET 24 2HB MET 24 -18.148 18.858 -0.282 192 HB3 MET 24 3HB MET 24 -17.240 17.492 -0.918 193 HG2 MET 24 2HG MET 24 -19.117 16.340 -0.603 194 HG3 MET 24 3HG MET 24 -18.654 16.330 1.097 195 HE1 MET 24 3HE MET 24 -21.578 17.040 -1.241 196 HE2 MET 24 1HE MET 24 -21.493 15.829 0.038 197 HE3 MET 24 2HE MET 24 -22.643 17.160 0.160 198 H LYS 25 H LYS 25 -14.578 18.251 -0.173 199 HA LYS 25 HA LYS 25 -13.840 15.552 -0.457 200 HB2 LYS 25 2HB LYS 25 -12.976 17.397 -1.869 201 HB3 LYS 25 3HB LYS 25 -12.051 17.990 -0.496 202 HG2 LYS 25 2HG LYS 25 -11.259 15.376 -0.645 203 HG3 LYS 25 3HG LYS 25 -11.479 15.808 -2.342 204 HD2 LYS 25 2HD LYS 25 -9.224 16.314 -1.788 205 HD3 LYS 25 3HD LYS 25 -10.082 17.854 -1.890 206 HE2 LYS 25 2HE LYS 25 -10.356 17.777 0.589 207 HE3 LYS 25 3HE LYS 25 -9.325 16.347 0.609 208 HZ1 LYS 25 3HZ LYS 25 -8.408 18.865 -0.631 209 HZ2 LYS 25 1HZ LYS 25 -7.484 17.570 -0.055 210 HZ3 LYS 25 2HZ LYS 25 -8.254 18.610 1.034 211 H SER 26 H SER 26 -12.864 18.016 1.897 212 HA SER 26 HA SER 26 -11.002 16.372 3.265 213 HB2 SER 26 2HB SER 26 -11.217 18.936 3.329 214 HB3 SER 26 3HB SER 26 -12.485 18.674 4.526 215 HG SER 26 HG SER 26 -10.933 18.486 5.915 216 H LEU 27 H LEU 27 -14.437 17.028 3.690 217 HA LEU 27 HA LEU 27 -14.701 15.662 6.167 218 HB2 LEU 27 2HB LEU 27 -16.495 16.853 4.160 219 HB3 LEU 27 3HB LEU 27 -17.189 15.540 5.110 220 HG LEU 27 HG LEU 27 -16.510 16.831 7.170 221 HD11 LEU 27 1HD1 LEU 27 -16.393 19.266 5.465 222 HD12 LEU 27 2HD1 LEU 27 -14.937 18.288 5.646 223 HD13 LEU 27 3HD1 LEU 27 -15.721 18.974 7.070 224 HD21 LEU 27 3HD2 LEU 27 -18.593 17.648 7.238 225 HD22 LEU 27 1HD2 LEU 27 -18.768 16.940 5.633 226 HD23 LEU 27 2HD2 LEU 27 -18.351 18.645 5.803 227 H ILE 28 H ILE 28 -15.463 14.735 2.816 228 HA ILE 28 HA ILE 28 -16.341 12.130 3.399 229 HB ILE 28 HB ILE 28 -15.118 13.229 0.868 230 HG12 ILE 28 2HG1 ILE 28 -17.272 14.245 1.697 231 HG13 ILE 28 3HG1 ILE 28 -17.367 13.512 0.100 232 HG21 ILE 28 1HG2 ILE 28 -14.968 11.103 0.213 233 HG22 ILE 28 2HG2 ILE 28 -15.884 10.527 1.605 234 HG23 ILE 28 3HG2 ILE 28 -16.731 11.105 0.171 235 HD11 ILE 28 3HD1 ILE 28 -18.202 12.084 2.605 236 HD12 ILE 28 1HD1 ILE 28 -19.300 13.066 1.636 237 HD13 ILE 28 2HD1 ILE 28 -18.538 11.638 0.933 238 H GLU 29 H GLU 29 -13.145 13.379 2.504 239 HA GLU 29 HA GLU 29 -11.834 10.895 2.362 240 HB2 GLU 29 2HB GLU 29 -10.948 13.727 2.724 241 HB3 GLU 29 3HB GLU 29 -9.784 12.434 2.981 242 HG2 GLU 29 2HG GLU 29 -10.127 13.592 0.626 243 HG3 GLU 29 3HG GLU 29 -9.686 11.893 0.789 244 H ASN 30 H ASN 30 -12.550 13.033 5.048 245 HA ASN 30 HA ASN 30 -10.868 11.721 6.937 246 HB2 ASN 30 2HB ASN 30 -11.823 14.091 7.084 247 HB3 ASN 30 3HB ASN 30 -13.324 13.335 7.612 248 HD21 ASN 30 1HD2 ASN 30 -9.923 13.750 8.368 249 HD22 ASN 30 2HD2 ASN 30 -10.073 13.460 10.065 250 H CYS 31 H CYS 31 -14.401 11.696 6.454 251 HA CYS 31 HA CYS 31 -14.938 9.705 8.366 252 HB2 CYS 31 2HB CYS 31 -16.505 10.500 5.904 253 HB3 CYS 31 3HB CYS 31 -17.119 9.472 7.193 254 HG CYS 31 HG CYS 31 -16.430 11.748 9.046 255 H LYS 32 H LYS 32 -14.489 9.502 4.849 256 HA LYS 32 HA LYS 32 -14.919 6.739 4.605 257 HB2 LYS 32 2HB LYS 32 -14.918 8.224 2.673 258 HB3 LYS 32 3HB LYS 32 -13.215 8.585 2.922 259 HG2 LYS 32 2HG LYS 32 -12.540 6.702 1.916 260 HG3 LYS 32 3HG LYS 32 -13.824 5.733 2.642 261 HD2 LYS 32 2HD LYS 32 -15.022 5.833 0.771 262 HD3 LYS 32 3HD LYS 32 -14.942 7.597 0.766 263 HE2 LYS 32 2HE LYS 32 -12.718 5.831 -0.236 264 HE3 LYS 32 3HE LYS 32 -14.000 6.454 -1.273 265 HZ1 LYS 32 3HZ LYS 32 -13.157 8.684 -0.050 266 HZ2 LYS 32 1HZ LYS 32 -12.592 8.154 -1.554 267 HZ3 LYS 32 2HZ LYS 32 -11.710 7.815 -0.152 268 H LYS 33 H LYS 33 -12.085 8.596 5.489 269 HA LYS 33 HA LYS 33 -10.139 6.597 5.184 270 HB2 LYS 33 2HB LYS 33 -10.353 9.184 6.568 271 HB3 LYS 33 3HB LYS 33 -9.212 8.063 7.298 272 HG2 LYS 33 2HG LYS 33 -7.890 7.972 5.370 273 HG3 LYS 33 3HG LYS 33 -9.161 8.670 4.363 274 HD2 LYS 33 2HD LYS 33 -8.871 10.682 6.080 275 HD3 LYS 33 3HD LYS 33 -7.251 9.993 6.213 276 HE2 LYS 33 2HE LYS 33 -6.779 10.366 3.959 277 HE3 LYS 33 3HE LYS 33 -8.481 10.537 3.534 278 HZ1 LYS 33 3HZ LYS 33 -8.299 12.570 5.150 279 HZ2 LYS 33 1HZ LYS 33 -7.827 12.705 3.531 280 HZ3 LYS 33 2HZ LYS 33 -6.660 12.491 4.737 281 H ARG 34 H ARG 34 -12.684 6.909 7.432 282 HA ARG 34 HA ARG 34 -11.461 5.395 9.549 283 HB2 ARG 34 2HB ARG 34 -13.584 7.093 9.448 284 HB3 ARG 34 3HB ARG 34 -14.404 5.537 9.440 285 HG2 ARG 34 2HG ARG 34 -14.193 5.483 11.641 286 HG3 ARG 34 3HG ARG 34 -12.447 5.347 11.428 287 HD2 ARG 34 2HD ARG 34 -13.709 8.041 11.282 288 HD3 ARG 34 3HD ARG 34 -13.502 7.286 12.862 289 HE ARG 34 HE ARG 34 -11.444 8.370 11.174 290 HH11 ARG 34 1HH1 ARG 34 -12.162 6.123 13.733 291 HH12 ARG 34 2HH1 ARG 34 -10.546 6.119 14.360 292 HH21 ARG 34 1HH2 ARG 34 -9.313 8.374 11.989 293 HH22 ARG 34 2HH2 ARG 34 -8.927 7.400 13.367 294 H ASN 35 H ASN 35 -12.505 4.549 6.551 295 HA ASN 35 HA ASN 35 -13.011 1.784 7.409 296 HB2 ASN 35 2HB ASN 35 -15.120 3.039 6.692 297 HB3 ASN 35 3HB ASN 35 -14.440 3.037 5.067 298 HD21 ASN 35 1HD2 ASN 35 -16.863 1.833 5.740 299 HD22 ASN 35 2HD2 ASN 35 -16.705 0.126 5.527 300 H MET 36 H MET 36 -12.628 3.607 4.363 301 HA MET 36 HA MET 36 -10.523 1.688 3.605 302 HB2 MET 36 2HB MET 36 -12.612 1.515 2.257 303 HB3 MET 36 3HB MET 36 -12.379 3.181 1.745 304 HG2 MET 36 2HG MET 36 -9.983 1.715 1.259 305 HG3 MET 36 3HG MET 36 -11.352 0.835 0.582 306 HE1 MET 36 3HE MET 36 -12.910 1.788 -1.403 307 HE2 MET 36 1HE MET 36 -13.386 2.961 -0.175 308 HE3 MET 36 2HE MET 36 -12.941 3.508 -1.792 309 HA PRO 37 HA PRO 37 -8.640 5.925 3.869 310 HB2 PRO 37 2HB PRO 37 -6.402 5.104 5.170 311 HB3 PRO 37 3HB PRO 37 -7.895 5.541 6.009 312 HG2 PRO 37 2HG PRO 37 -6.846 2.829 5.298 313 HG3 PRO 37 3HG PRO 37 -7.601 3.377 6.806 314 HD2 PRO 37 2HD PRO 37 -8.955 1.977 4.925 315 HD3 PRO 37 3HD PRO 37 -9.734 3.198 5.952 316 H LEU 38 H LEU 38 -6.838 6.723 2.730 317 HA LEU 38 HA LEU 38 -5.654 4.794 0.846 318 HB2 LEU 38 2HB LEU 38 -6.941 7.310 0.462 319 HB3 LEU 38 3HB LEU 38 -5.260 7.452 -0.046 320 HG LEU 38 HG LEU 38 -6.624 6.901 -1.947 321 HD11 LEU 38 1HD1 LEU 38 -5.026 4.522 -1.011 322 HD12 LEU 38 2HD1 LEU 38 -4.409 5.919 -1.893 323 HD13 LEU 38 3HD1 LEU 38 -5.546 4.818 -2.670 324 HD21 LEU 38 3HD2 LEU 38 -7.594 4.621 -0.238 325 HD22 LEU 38 1HD2 LEU 38 -7.812 4.679 -1.987 326 HD23 LEU 38 2HD2 LEU 38 -8.544 5.917 -0.966 327 H GLN 39 H GLN 39 -3.617 6.337 -0.168 328 HA GLN 39 HA GLN 39 -1.629 6.038 1.855 329 HB2 GLN 39 2HB GLN 39 -1.023 5.566 -0.415 330 HB3 GLN 39 3HB GLN 39 -1.528 7.166 -0.942 331 HG2 GLN 39 2HG GLN 39 0.600 6.988 1.117 332 HG3 GLN 39 3HG GLN 39 1.007 6.556 -0.543 333 HE21 GLN 39 1HE2 GLN 39 1.790 8.838 1.203 334 HE22 GLN 39 2HE2 GLN 39 1.426 10.251 0.279 335 H SER 40 H SER 40 -3.494 8.699 0.617 336 HA SER 40 HA SER 40 -2.805 10.379 2.790 337 HB2 SER 40 2HB SER 40 -1.156 10.575 0.389 338 HB3 SER 40 3HB SER 40 -1.924 12.107 0.806 339 HG SER 40 HG SER 40 -0.972 12.016 2.817 340 H ILE 41 H ILE 41 -3.389 11.275 -0.595 341 HA ILE 41 HA ILE 41 -6.063 12.222 0.208 342 HB ILE 41 HB ILE 41 -4.234 13.469 -1.848 343 HG12 ILE 41 2HG1 ILE 41 -4.916 15.312 0.163 344 HG13 ILE 41 3HG1 ILE 41 -4.484 13.829 1.007 345 HG21 ILE 41 1HG2 ILE 41 -6.073 15.312 -1.581 346 HG22 ILE 41 2HG2 ILE 41 -6.327 13.946 -2.665 347 HG23 ILE 41 3HG2 ILE 41 -7.070 13.951 -1.066 348 HD11 ILE 41 3HD1 ILE 41 -2.813 15.682 -0.548 349 HD12 ILE 41 1HD1 ILE 41 -2.420 14.702 0.864 350 HD13 ILE 41 2HD1 ILE 41 -2.456 13.966 -0.738 351 HA PRO 42 HA PRO 42 -6.977 9.117 -2.969 352 HB2 PRO 42 2HB PRO 42 -9.555 8.778 -2.188 353 HB3 PRO 42 3HB PRO 42 -8.196 7.979 -1.389 354 HG2 PRO 42 2HG PRO 42 -9.688 10.443 -0.576 355 HG3 PRO 42 3HG PRO 42 -9.138 9.087 0.425 356 HD2 PRO 42 2HD PRO 42 -7.806 11.441 0.303 357 HD3 PRO 42 3HD PRO 42 -6.981 9.888 0.548 358 H GLU 43 H GLU 43 -7.150 10.067 -4.917 359 HA GLU 43 HA GLU 43 -9.587 11.592 -5.478 360 HB2 GLU 43 2HB GLU 43 -7.068 12.792 -5.239 361 HB3 GLU 43 3HB GLU 43 -7.350 12.662 -6.970 362 HG2 GLU 43 2HG GLU 43 -8.474 14.565 -6.773 363 HG3 GLU 43 3HG GLU 43 -9.752 13.597 -6.040 364 H ILE 44 H ILE 44 -10.416 11.311 -7.518 365 HA ILE 44 HA ILE 44 -8.892 9.955 -9.566 366 HB ILE 44 HB ILE 44 -9.621 8.029 -8.308 367 HG12 ILE 44 2HG1 ILE 44 -11.631 7.937 -10.478 368 HG13 ILE 44 3HG1 ILE 44 -9.996 8.367 -10.968 369 HG21 ILE 44 1HG2 ILE 44 -11.858 9.588 -7.720 370 HG22 ILE 44 2HG2 ILE 44 -12.471 8.235 -8.669 371 HG23 ILE 44 3HG2 ILE 44 -11.544 7.932 -7.199 372 HD11 ILE 44 3HD1 ILE 44 -9.355 6.257 -10.858 373 HD12 ILE 44 1HD1 ILE 44 -9.937 6.112 -9.199 374 HD13 ILE 44 2HD1 ILE 44 -11.034 5.814 -10.549 375 H GLY 45 H GLY 45 -9.403 10.927 -11.408 376 HA2 GLY 45 2HA GLY 45 -10.978 11.435 -13.132 377 HA3 GLY 45 3HA GLY 45 -12.209 11.654 -11.897 378 H ASN 46 H ASN 46 -12.129 13.573 -10.582 379 HA ASN 46 HA ASN 46 -10.337 15.680 -10.918 380 HB2 ASN 46 2HB ASN 46 -11.868 15.389 -13.204 381 HB3 ASN 46 3HB ASN 46 -12.713 16.653 -12.315 382 HD21 ASN 46 1HD2 ASN 46 -12.179 18.394 -13.493 383 HD22 ASN 46 2HD2 ASN 46 -10.563 18.953 -13.739 384 H ARG 47 H ARG 47 -11.899 14.402 -8.887 385 HA ARG 47 HA ARG 47 -13.045 14.930 -6.995 386 HB2 ARG 47 2HB ARG 47 -12.718 17.796 -7.901 387 HB3 ARG 47 3HB ARG 47 -13.091 17.248 -6.272 388 HG2 ARG 47 2HG ARG 47 -10.950 16.818 -5.797 389 HG3 ARG 47 3HG ARG 47 -10.641 16.102 -7.380 390 HD2 ARG 47 2HD ARG 47 -10.997 19.060 -7.085 391 HD3 ARG 47 3HD ARG 47 -9.445 18.306 -6.727 392 HE ARG 47 HE ARG 47 -9.999 17.335 -9.168 393 HH11 ARG 47 1HH1 ARG 47 -10.052 20.564 -7.868 394 HH12 ARG 47 2HH1 ARG 47 -9.653 21.318 -9.376 395 HH21 ARG 47 1HH2 ARG 47 -9.473 18.316 -11.159 396 HH22 ARG 47 2HH2 ARG 47 -9.325 20.038 -11.248 397 H LYS 48 H LYS 48 -15.078 14.222 -7.121 398 HA LYS 48 HA LYS 48 -17.106 16.040 -8.194 399 HB2 LYS 48 2HB LYS 48 -16.774 13.140 -8.961 400 HB3 LYS 48 3HB LYS 48 -18.277 14.023 -9.196 401 HG2 LYS 48 2HG LYS 48 -17.424 14.440 -11.225 402 HG3 LYS 48 3HG LYS 48 -16.528 15.705 -10.381 403 HD2 LYS 48 2HD LYS 48 -14.641 14.173 -10.092 404 HD3 LYS 48 3HD LYS 48 -15.539 12.906 -10.931 405 HE2 LYS 48 2HE LYS 48 -14.565 15.524 -12.062 406 HE3 LYS 48 3HE LYS 48 -14.014 13.903 -12.485 407 HZ1 LYS 48 3HZ LYS 48 -16.300 13.458 -13.296 408 HZ2 LYS 48 1HZ LYS 48 -15.490 14.656 -14.173 409 HZ3 LYS 48 2HZ LYS 48 -16.675 15.088 -13.046 410 H ILE 49 H ILE 49 -16.047 14.716 -5.563 411 HA ILE 49 HA ILE 49 -18.445 13.420 -4.580 412 HB ILE 49 HB ILE 49 -16.137 14.229 -2.843 413 HG12 ILE 49 2HG1 ILE 49 -15.520 11.669 -3.555 414 HG13 ILE 49 3HG1 ILE 49 -16.131 12.306 -5.078 415 HG21 ILE 49 1HG2 ILE 49 -18.083 13.297 -1.747 416 HG22 ILE 49 2HG2 ILE 49 -18.049 11.898 -2.819 417 HG23 ILE 49 3HG2 ILE 49 -16.743 12.154 -1.662 418 HD11 ILE 49 3HD1 ILE 49 -14.118 13.147 -5.429 419 HD12 ILE 49 1HD1 ILE 49 -14.421 14.274 -4.106 420 HD13 ILE 49 2HD1 ILE 49 -13.602 12.744 -3.791 421 H ASN 50 H ASN 50 -17.514 16.563 -5.021 422 HA ASN 50 HA ASN 50 -18.474 17.723 -2.588 423 HB2 ASN 50 2HB ASN 50 -16.822 18.869 -4.011 424 HB3 ASN 50 3HB ASN 50 -18.019 18.995 -5.297 425 HD21 ASN 50 1HD2 ASN 50 -18.372 21.111 -5.439 426 HD22 ASN 50 2HD2 ASN 50 -18.877 22.127 -4.135 427 H LEU 51 H LEU 51 -20.376 18.991 -2.325 428 HA LEU 51 HA LEU 51 -22.695 17.804 -3.486 429 HB2 LEU 51 2HB LEU 51 -22.129 19.254 -1.199 430 HB3 LEU 51 3HB LEU 51 -23.148 20.339 -2.142 431 HG LEU 51 HG LEU 51 -23.916 17.514 -1.421 432 HD11 LEU 51 1HD1 LEU 51 -24.940 18.229 0.478 433 HD12 LEU 51 2HD1 LEU 51 -25.185 19.864 -0.133 434 HD13 LEU 51 3HD1 LEU 51 -23.594 19.369 0.446 435 HD21 LEU 51 3HD2 LEU 51 -26.218 18.735 -1.873 436 HD22 LEU 51 1HD2 LEU 51 -25.278 18.016 -3.180 437 HD23 LEU 51 2HD2 LEU 51 -25.200 19.754 -2.892 438 H PHE 52 H PHE 52 -20.718 20.501 -4.276 439 HA PHE 52 HA PHE 52 -22.771 21.704 -5.969 440 HB2 PHE 52 2HB PHE 52 -20.728 22.801 -4.472 441 HB3 PHE 52 3HB PHE 52 -20.089 22.863 -6.111 442 HD1 PHE 52 HD1 PHE 52 -21.934 23.687 -7.893 443 HD2 PHE 52 HD2 PHE 52 -21.860 24.648 -3.747 444 HE1 PHE 52 HE1 PHE 52 -23.274 25.702 -8.340 445 HE2 PHE 52 HE2 PHE 52 -23.200 26.664 -4.187 446 HZ PHE 52 HZ PHE 52 -23.910 27.193 -6.485 447 H TYR 53 H TYR 53 -19.744 19.946 -6.177 448 HA TYR 53 HA TYR 53 -19.417 20.278 -8.994 449 HB2 TYR 53 2HB TYR 53 -17.669 19.622 -7.154 450 HB3 TYR 53 3HB TYR 53 -18.219 17.983 -7.485 451 HD1 TYR 53 HD1 TYR 53 -18.492 17.683 -10.249 452 HD2 TYR 53 HD2 TYR 53 -15.675 20.115 -8.186 453 HE1 TYR 53 HE1 TYR 53 -16.981 17.563 -12.185 454 HE2 TYR 53 HE2 TYR 53 -14.156 20.002 -10.118 455 HH TYR 53 HH TYR 53 -14.650 19.545 -12.824 456 H LEU 54 H LEU 54 -20.534 17.585 -6.954 457 HA LEU 54 HA LEU 54 -21.116 15.806 -9.044 458 HB2 LEU 54 2HB LEU 54 -20.956 15.349 -6.542 459 HB3 LEU 54 3HB LEU 54 -22.618 15.926 -6.445 460 HG LEU 54 HG LEU 54 -23.236 14.112 -8.071 461 HD11 LEU 54 1HD1 LEU 54 -20.745 12.676 -7.360 462 HD12 LEU 54 2HD1 LEU 54 -20.647 13.895 -8.629 463 HD13 LEU 54 3HD1 LEU 54 -21.765 12.542 -8.792 464 HD21 LEU 54 3HD2 LEU 54 -23.324 14.054 -5.475 465 HD22 LEU 54 1HD2 LEU 54 -22.004 12.896 -5.634 466 HD23 LEU 54 2HD2 LEU 54 -23.563 12.563 -6.388 467 H TYR 55 H TYR 55 -22.920 18.461 -7.674 468 HA TYR 55 HA TYR 55 -25.412 17.754 -8.906 469 HB2 TYR 55 2HB TYR 55 -25.168 19.150 -6.816 470 HB3 TYR 55 3HB TYR 55 -24.598 20.462 -7.842 471 HD1 TYR 55 HD2 TYR 55 -26.128 21.587 -9.387 472 HD2 TYR 55 HD1 TYR 55 -27.497 18.516 -6.780 473 HE1 TYR 55 HE2 TYR 55 -28.451 22.284 -9.796 474 HE2 TYR 55 HE1 TYR 55 -29.824 19.204 -7.183 475 HH TYR 55 HH TYR 55 -30.667 22.113 -8.571 476 H MET 56 H MET 56 -22.881 20.162 -9.558 477 HA MET 56 HA MET 56 -24.062 21.347 -11.797 478 HB2 MET 56 2HB MET 56 -22.005 22.107 -10.481 479 HB3 MET 56 3HB MET 56 -21.091 20.973 -11.466 480 HG2 MET 56 2HG MET 56 -20.799 22.903 -12.646 481 HG3 MET 56 3HG MET 56 -22.219 22.237 -13.449 482 HE1 MET 56 3HE MET 56 -22.223 25.247 -14.198 483 HE2 MET 56 1HE MET 56 -23.379 23.936 -14.438 484 HE3 MET 56 2HE MET 56 -23.917 25.473 -13.761 485 H LEU 57 H LEU 57 -21.958 18.519 -11.524 486 HA LEU 57 HA LEU 57 -21.541 18.071 -14.256 487 HB2 LEU 57 2HB LEU 57 -20.212 16.936 -12.623 488 HB3 LEU 57 3HB LEU 57 -21.636 16.167 -11.926 489 HG LEU 57 HG LEU 57 -21.440 15.440 -14.684 490 HD11 LEU 57 1HD1 LEU 57 -19.202 15.553 -14.936 491 HD12 LEU 57 2HD1 LEU 57 -19.246 14.028 -14.053 492 HD13 LEU 57 3HD1 LEU 57 -18.893 15.530 -13.200 493 HD21 LEU 57 3HD2 LEU 57 -21.552 13.231 -13.810 494 HD22 LEU 57 1HD2 LEU 57 -22.560 14.247 -12.780 495 HD23 LEU 57 2HD2 LEU 57 -20.957 13.755 -12.234 496 H VAL 58 H VAL 58 -24.020 16.757 -12.071 497 HA VAL 58 HA VAL 58 -25.344 15.156 -13.945 498 HB VAL 58 HB VAL 58 -26.545 16.573 -11.562 499 HG11 VAL 58 1HG1 VAL 58 -28.462 15.772 -12.389 500 HG12 VAL 58 2HG1 VAL 58 -27.630 14.736 -13.551 501 HG13 VAL 58 3HG1 VAL 58 -27.865 14.189 -11.890 502 HG21 VAL 58 3HG2 VAL 58 -25.522 15.112 -10.228 503 HG22 VAL 58 1HG2 VAL 58 -26.002 13.753 -11.244 504 HG23 VAL 58 2HG2 VAL 58 -24.531 14.653 -11.613 505 H GLN 59 H GLN 59 -26.029 18.494 -12.917 506 HA GLN 59 HA GLN 59 -28.243 18.928 -14.567 507 HB2 GLN 59 2HB GLN 59 -26.232 20.738 -13.278 508 HB3 GLN 59 3HB GLN 59 -27.425 21.402 -14.386 509 HG2 GLN 59 2HG GLN 59 -28.468 19.634 -12.274 510 HG3 GLN 59 3HG GLN 59 -27.802 21.177 -11.742 511 HE21 GLN 59 1HE2 GLN 59 -29.962 19.843 -14.218 512 HE22 GLN 59 2HE2 GLN 59 -31.109 21.133 -14.158 513 H LYS 60 H LYS 60 -24.802 19.171 -15.207 514 HA LYS 60 HA LYS 60 -25.046 20.473 -17.727 515 HB2 LYS 60 2HB LYS 60 -22.909 19.341 -16.091 516 HB3 LYS 60 3HB LYS 60 -22.656 19.076 -17.811 517 HG2 LYS 60 2HG LYS 60 -23.233 21.626 -17.976 518 HG3 LYS 60 3HG LYS 60 -22.751 21.624 -16.277 519 HD2 LYS 60 2HD LYS 60 -20.769 20.153 -17.525 520 HD3 LYS 60 3HD LYS 60 -21.120 21.443 -18.677 521 HE2 LYS 60 2HE LYS 60 -20.820 22.160 -15.807 522 HE3 LYS 60 3HE LYS 60 -19.367 21.755 -16.719 523 HZ1 LYS 60 3HZ LYS 60 -20.127 24.184 -16.650 524 HZ2 LYS 60 1HZ LYS 60 -21.307 23.714 -17.768 525 HZ3 LYS 60 2HZ LYS 60 -19.667 23.538 -18.144 526 H PHE 61 H PHE 61 -24.962 17.118 -16.687 527 HA PHE 61 HA PHE 61 -24.757 16.047 -19.337 528 HB2 PHE 61 2HB PHE 61 -25.208 14.919 -16.607 529 HB3 PHE 61 3HB PHE 61 -25.600 13.925 -18.006 530 HD1 PHE 61 HD1 PHE 61 -23.605 14.217 -19.906 531 HD2 PHE 61 HD2 PHE 61 -23.186 14.413 -15.675 532 HE1 PHE 61 HE1 PHE 61 -21.238 13.576 -20.114 533 HE2 PHE 61 HE2 PHE 61 -20.819 13.773 -15.876 534 HZ PHE 61 HZ PHE 61 -19.842 13.354 -18.098 535 H GLY 62 H GLY 62 -27.243 17.515 -17.657 536 HA2 GLY 62 2HA GLY 62 -29.343 17.947 -18.702 537 HA3 GLY 62 3HA GLY 62 -29.205 16.410 -19.543 538 H GLY 63 H GLY 63 -28.385 16.344 -16.222 539 HA2 GLY 63 2HA GLY 63 -29.786 15.930 -14.344 540 HA3 GLY 63 3HA GLY 63 -31.100 15.545 -15.446 541 H ALA 64 H ALA 64 -30.244 13.983 -13.203 542 HA ALA 64 HA ALA 64 -28.578 11.855 -13.745 543 HB1 ALA 64 1HB ALA 64 -29.534 10.768 -11.937 544 HB2 ALA 64 2HB ALA 64 -29.890 12.462 -11.599 545 HB3 ALA 64 3HB ALA 64 -31.142 11.415 -12.267 546 H ASP 65 H ASP 65 -31.847 12.427 -14.854 547 HA ASP 65 HA ASP 65 -32.380 9.807 -15.791 548 HB2 ASP 65 2HB ASP 65 -33.559 12.305 -16.988 549 HB3 ASP 65 3HB ASP 65 -34.298 10.715 -16.820 550 H GLN 66 H GLN 66 -30.882 12.639 -17.247 551 HA GLN 66 HA GLN 66 -30.779 11.612 -19.892 552 HB2 GLN 66 2HB GLN 66 -30.452 14.054 -18.965 553 HB3 GLN 66 3HB GLN 66 -28.762 13.576 -18.884 554 HG2 GLN 66 2HG GLN 66 -28.495 13.834 -21.068 555 HG3 GLN 66 3HG GLN 66 -29.931 12.876 -21.428 556 HE21 GLN 66 1HE2 GLN 66 -28.826 15.431 -22.534 557 HE22 GLN 66 2HE2 GLN 66 -30.146 16.543 -22.464 558 H VAL 67 H VAL 67 -28.599 11.475 -17.133 559 HA VAL 67 HA VAL 67 -26.370 10.398 -18.509 560 HB VAL 67 HB VAL 67 -27.038 9.985 -15.595 561 HG11 VAL 67 1HG1 VAL 67 -24.983 9.145 -15.358 562 HG12 VAL 67 2HG1 VAL 67 -24.975 8.978 -17.115 563 HG13 VAL 67 3HG1 VAL 67 -24.261 10.404 -16.360 564 HG21 VAL 67 3HG2 VAL 67 -26.487 12.423 -17.022 565 HG22 VAL 67 1HG2 VAL 67 -26.892 12.187 -15.322 566 HG23 VAL 67 2HG2 VAL 67 -25.212 12.090 -15.850 567 H THR 68 H THR 68 -29.191 8.965 -16.990 568 HA THR 68 HA THR 68 -28.181 6.266 -17.329 569 HB THR 68 HB THR 68 -29.530 6.773 -15.350 570 HG1 THR 68 HG1 THR 68 -30.212 4.782 -15.502 571 HG21 THR 68 3HG2 THR 68 -31.918 7.242 -15.542 572 HG22 THR 68 1HG2 THR 68 -31.785 7.262 -17.300 573 HG23 THR 68 2HG2 THR 68 -30.973 8.498 -16.341 574 H ARG 69 H ARG 69 -30.291 8.501 -18.957 575 HA ARG 69 HA ARG 69 -31.834 6.788 -20.503 576 HB2 ARG 69 2HB ARG 69 -32.309 9.136 -20.496 577 HB3 ARG 69 3HB ARG 69 -30.712 9.519 -21.126 578 HG2 ARG 69 2HG ARG 69 -32.313 7.735 -22.819 579 HG3 ARG 69 3HG ARG 69 -32.959 9.365 -22.620 580 HD2 ARG 69 2HD ARG 69 -30.119 9.455 -23.068 581 HD3 ARG 69 3HD ARG 69 -30.913 8.532 -24.344 582 HE ARG 69 HE ARG 69 -31.107 11.360 -23.872 583 HH11 ARG 69 1HH1 ARG 69 -32.670 8.578 -25.264 584 HH12 ARG 69 2HH1 ARG 69 -33.603 9.504 -26.392 585 HH21 ARG 69 1HH2 ARG 69 -32.330 12.590 -25.353 586 HH22 ARG 69 2HH2 ARG 69 -33.409 11.786 -26.442 587 H THR 70 H THR 70 -28.546 7.962 -21.037 588 HA THR 70 HA THR 70 -28.345 6.277 -23.434 589 HB THR 70 HB THR 70 -25.978 7.581 -23.390 590 HG1 THR 70 HG1 THR 70 -26.075 9.261 -22.120 591 HG21 THR 70 3HG2 THR 70 -26.759 8.693 -25.228 592 HG22 THR 70 1HG2 THR 70 -28.277 9.140 -24.450 593 HG23 THR 70 2HG2 THR 70 -28.047 7.500 -25.056 594 H GLN 71 H GLN 71 -27.967 5.831 -20.290 595 HA GLN 71 HA GLN 71 -26.748 4.443 -18.963 596 HB2 GLN 71 2HB GLN 71 -26.245 3.217 -21.669 597 HB3 GLN 71 3HB GLN 71 -25.624 2.505 -20.186 598 HG2 GLN 71 2HG GLN 71 -28.197 2.789 -19.499 599 HG3 GLN 71 3HG GLN 71 -28.373 2.597 -21.243 600 HE21 GLN 71 1HE2 GLN 71 -28.741 0.592 -21.821 601 HE22 GLN 71 2HE2 GLN 71 -28.120 -0.827 -21.056 602 H GLN 72 H GLN 72 -25.505 6.796 -19.298 603 HA GLN 72 HA GLN 72 -22.709 6.193 -19.950 604 HB2 GLN 72 2HB GLN 72 -24.384 8.597 -20.067 605 HB3 GLN 72 3HB GLN 72 -22.792 8.876 -19.374 606 HG2 GLN 72 2HG GLN 72 -22.881 7.301 -21.867 607 HG3 GLN 72 3HG GLN 72 -23.306 9.007 -21.993 608 HE21 GLN 72 1HE2 GLN 72 -21.597 9.970 -22.846 609 HE22 GLN 72 2HE2 GLN 72 -19.972 9.830 -22.277 610 H TRP 73 H TRP 73 -24.828 6.670 -17.322 611 HA TRP 73 HA TRP 73 -23.252 7.819 -15.370 612 HB2 TRP 73 2HB TRP 73 -24.621 6.580 -13.738 613 HB3 TRP 73 3HB TRP 73 -25.609 7.277 -15.019 614 HD1 TRP 73 HD1 TRP 73 -26.361 5.459 -17.013 615 HE1 TRP 73 HE1 TRP 73 -27.038 2.990 -16.746 616 HE3 TRP 73 HE3 TRP 73 -24.299 4.544 -12.426 617 HZ2 TRP 73 HZ2 TRP 73 -26.738 0.928 -14.842 618 HZ3 TRP 73 HZ3 TRP 73 -24.539 2.297 -11.452 619 HH2 TRP 73 HH2 TRP 73 -25.734 0.528 -12.636 620 H SER 74 H SER 74 -23.163 4.556 -16.646 621 HA SER 74 HA SER 74 -21.559 3.378 -14.659 622 HB2 SER 74 2HB SER 74 -21.225 1.585 -16.187 623 HB3 SER 74 3HB SER 74 -22.843 2.203 -16.520 624 HG SER 74 HG SER 74 -22.209 2.838 -18.431 625 H MET 75 H MET 75 -20.703 4.974 -17.713 626 HA MET 75 HA MET 75 -17.893 4.620 -17.361 627 HB2 MET 75 2HB MET 75 -19.667 5.739 -19.355 628 HB3 MET 75 3HB MET 75 -18.280 6.788 -19.092 629 HG2 MET 75 2HG MET 75 -17.394 5.456 -20.683 630 HG3 MET 75 3HG MET 75 -16.987 4.479 -19.274 631 HE1 MET 75 3HE MET 75 -17.487 1.512 -20.125 632 HE2 MET 75 1HE MET 75 -17.522 1.899 -21.846 633 HE3 MET 75 2HE MET 75 -16.465 2.802 -20.761 634 H VAL 76 H VAL 76 -20.107 7.361 -16.915 635 HA VAL 76 HA VAL 76 -18.200 9.259 -16.141 636 HB VAL 76 HB VAL 76 -21.080 9.066 -15.246 637 HG11 VAL 76 1HG1 VAL 76 -20.687 11.648 -15.194 638 HG12 VAL 76 2HG1 VAL 76 -20.188 10.648 -13.828 639 HG13 VAL 76 3HG1 VAL 76 -18.994 11.189 -15.009 640 HG21 VAL 76 3HG2 VAL 76 -21.574 9.456 -17.383 641 HG22 VAL 76 1HG2 VAL 76 -20.819 11.039 -17.192 642 HG23 VAL 76 2HG2 VAL 76 -19.875 9.679 -17.801 643 H ALA 77 H ALA 77 -20.166 7.052 -14.167 644 HA ALA 77 HA ALA 77 -19.328 7.878 -11.650 645 HB1 ALA 77 1HB ALA 77 -20.144 5.139 -12.604 646 HB2 ALA 77 2HB ALA 77 -19.931 5.576 -10.909 647 HB3 ALA 77 3HB ALA 77 -21.174 6.371 -11.874 648 H GLN 78 H GLN 78 -17.805 5.659 -13.926 649 HA GLN 78 HA GLN 78 -15.830 4.628 -12.224 650 HB2 GLN 78 2HB GLN 78 -16.237 3.557 -14.324 651 HB3 GLN 78 3HB GLN 78 -15.879 5.031 -15.213 652 HG2 GLN 78 2HG GLN 78 -13.663 4.201 -13.542 653 HG3 GLN 78 3HG GLN 78 -14.140 2.954 -14.693 654 HE21 GLN 78 1HE2 GLN 78 -12.040 5.339 -14.294 655 HE22 GLN 78 2HE2 GLN 78 -11.832 5.872 -15.924 656 H ARG 79 H ARG 79 -16.002 7.604 -14.067 657 HA ARG 79 HA ARG 79 -13.308 8.361 -13.937 658 HB2 ARG 79 2HB ARG 79 -15.776 9.533 -14.758 659 HB3 ARG 79 3HB ARG 79 -14.935 10.688 -13.733 660 HG2 ARG 79 2HG ARG 79 -13.726 9.331 -16.133 661 HG3 ARG 79 3HG ARG 79 -14.428 10.950 -16.132 662 HD2 ARG 79 2HD ARG 79 -12.360 10.356 -14.092 663 HD3 ARG 79 3HD ARG 79 -11.825 10.511 -15.765 664 HE ARG 79 HE ARG 79 -12.769 12.612 -14.041 665 HH11 ARG 79 1HH1 ARG 79 -12.293 11.594 -17.336 666 HH12 ARG 79 2HH1 ARG 79 -12.235 13.207 -17.964 667 HH21 ARG 79 1HH2 ARG 79 -12.695 14.742 -14.856 668 HH22 ARG 79 2HH2 ARG 79 -12.463 14.997 -16.552 669 H LEU 80 H LEU 80 -15.978 8.864 -11.676 670 HA LEU 80 HA LEU 80 -14.163 10.182 -9.797 671 HB2 LEU 80 2HB LEU 80 -16.513 10.199 -8.512 672 HB3 LEU 80 3HB LEU 80 -16.022 11.440 -9.663 673 HG LEU 80 HG LEU 80 -17.565 9.080 -10.642 674 HD11 LEU 80 1HD1 LEU 80 -18.504 10.666 -8.544 675 HD12 LEU 80 2HD1 LEU 80 -19.440 9.578 -9.568 676 HD13 LEU 80 3HD1 LEU 80 -19.295 11.283 -9.995 677 HD21 LEU 80 3HD2 LEU 80 -17.228 11.960 -11.432 678 HD22 LEU 80 1HD2 LEU 80 -18.501 10.939 -12.101 679 HD23 LEU 80 2HD2 LEU 80 -16.808 10.512 -12.347 680 H GLN 81 H GLN 81 -14.917 7.121 -10.548 681 HA GLN 81 HA GLN 81 -14.709 5.119 -9.488 682 HB2 GLN 81 2HB GLN 81 -12.667 6.254 -8.561 683 HB3 GLN 81 3HB GLN 81 -13.625 6.701 -7.155 684 HG2 GLN 81 2HG GLN 81 -13.790 4.516 -6.408 685 HG3 GLN 81 3HG GLN 81 -13.412 3.842 -7.992 686 HE21 GLN 81 1HE2 GLN 81 -11.527 2.872 -7.998 687 HE22 GLN 81 2HE2 GLN 81 -10.107 3.385 -7.159 688 H ILE 82 H ILE 82 -17.210 6.062 -9.461 689 HA ILE 82 HA ILE 82 -18.183 5.658 -6.712 690 HB ILE 82 HB ILE 82 -19.474 7.037 -9.063 691 HG12 ILE 82 2HG1 ILE 82 -17.849 8.378 -7.811 692 HG13 ILE 82 3HG1 ILE 82 -19.483 8.980 -7.553 693 HG21 ILE 82 1HG2 ILE 82 -21.258 7.503 -7.190 694 HG22 ILE 82 2HG2 ILE 82 -21.331 6.039 -8.169 695 HG23 ILE 82 3HG2 ILE 82 -20.652 5.979 -6.542 696 HD11 ILE 82 3HD1 ILE 82 -17.813 7.349 -5.661 697 HD12 ILE 82 1HD1 ILE 82 -18.344 9.020 -5.470 698 HD13 ILE 82 2HD1 ILE 82 -19.521 7.708 -5.408 699 H SER 83 H SER 83 -18.267 4.456 -9.964 700 HA SER 83 HA SER 83 -19.750 2.116 -9.038 701 HB2 SER 83 2HB SER 83 -21.296 3.860 -10.170 702 HB3 SER 83 3HB SER 83 -20.505 3.369 -11.668 703 HG SER 83 HG SER 83 -21.624 1.471 -9.905 704 H ASP 84 H ASP 84 -17.389 1.507 -9.197 705 HA ASP 84 HA ASP 84 -16.592 0.875 -11.951 706 HB2 ASP 84 2HB ASP 84 -15.121 1.394 -9.432 707 HB3 ASP 84 3HB ASP 84 -14.437 0.163 -10.489 708 H TYR 85 H TYR 85 -18.525 -0.733 -11.505 709 HA TYR 85 HA TYR 85 -19.090 -2.944 -11.552 710 HB2 TYR 85 2HB TYR 85 -16.489 -3.035 -12.248 711 HB3 TYR 85 3HB TYR 85 -16.415 -3.926 -10.732 712 HD1 TYR 85 HD2 TYR 85 -18.952 -3.833 -13.477 713 HD2 TYR 85 HD1 TYR 85 -16.239 -6.182 -11.191 714 HE1 TYR 85 HE2 TYR 85 -19.739 -5.856 -14.633 715 HE2 TYR 85 HE1 TYR 85 -17.018 -8.212 -12.341 716 HH TYR 85 HH TYR 85 -18.138 -8.914 -14.279 717 H GLN 86 H GLN 86 -17.671 -4.941 -9.812 718 HA GLN 86 HA GLN 86 -19.333 -4.945 -7.626 719 HB2 GLN 86 2HB GLN 86 -17.830 -6.550 -6.613 720 HB3 GLN 86 3HB GLN 86 -17.934 -6.856 -8.342 721 HG2 GLN 86 2HG GLN 86 -15.802 -5.640 -8.642 722 HG3 GLN 86 3HG GLN 86 -15.689 -5.475 -6.890 723 HE21 GLN 86 1HE2 GLN 86 -14.102 -6.937 -9.024 724 HE22 GLN 86 2HE2 GLN 86 -13.928 -8.535 -8.391 725 H GLN 87 H GLN 87 -16.301 -3.252 -8.051 726 HA GLN 87 HA GLN 87 -15.697 -2.607 -5.417 727 HB2 GLN 87 2HB GLN 87 -14.731 -1.910 -7.941 728 HB3 GLN 87 3HB GLN 87 -15.194 -0.380 -7.207 729 HG2 GLN 87 2HG GLN 87 -13.806 -0.910 -5.257 730 HG3 GLN 87 3HG GLN 87 -13.320 -2.418 -6.028 731 HE21 GLN 87 1HE2 GLN 87 -11.993 -2.337 -7.870 732 HE22 GLN 87 2HE2 GLN 87 -11.036 -0.945 -8.229 733 H LEU 88 H LEU 88 -18.152 -1.342 -7.530 734 HA LEU 88 HA LEU 88 -18.716 1.098 -6.337 735 HB2 LEU 88 2HB LEU 88 -20.738 1.059 -7.460 736 HB3 LEU 88 3HB LEU 88 -19.720 -0.003 -8.431 737 HG LEU 88 HG LEU 88 -20.860 -1.849 -6.884 738 HD11 LEU 88 1HD1 LEU 88 -22.218 0.392 -6.049 739 HD12 LEU 88 2HD1 LEU 88 -22.753 -1.277 -5.856 740 HD13 LEU 88 3HD1 LEU 88 -23.312 -0.325 -7.231 741 HD21 LEU 88 3HD2 LEU 88 -22.674 -0.968 -9.015 742 HD22 LEU 88 1HD2 LEU 88 -21.837 -2.505 -8.795 743 HD23 LEU 88 2HD2 LEU 88 -20.985 -1.131 -9.500 744 H GLU 89 H GLU 89 -19.264 -2.107 -5.174 745 HA GLU 89 HA GLU 89 -21.323 -1.525 -3.311 746 HB2 GLU 89 2HB GLU 89 -20.094 -3.813 -4.211 747 HB3 GLU 89 3HB GLU 89 -19.492 -3.688 -2.564 748 HG2 GLU 89 2HG GLU 89 -21.718 -3.678 -1.684 749 HG3 GLU 89 3HG GLU 89 -22.405 -3.593 -3.305 750 H SER 90 H SER 90 -17.793 -1.751 -3.013 751 HA SER 90 HA SER 90 -17.732 -1.159 -0.236 752 HB2 SER 90 2HB SER 90 -15.413 -1.230 -0.418 753 HB3 SER 90 3HB SER 90 -15.909 -2.235 -1.780 754 HG SER 90 HG SER 90 -14.723 0.270 -1.754 755 H ILE 91 H ILE 91 -17.307 0.805 -3.152 756 HA ILE 91 HA ILE 91 -16.671 3.216 -1.826 757 HB ILE 91 HB ILE 91 -17.957 2.845 -4.534 758 HG12 ILE 91 2HG1 ILE 91 -15.131 3.579 -4.428 759 HG13 ILE 91 3HG1 ILE 91 -15.454 2.013 -3.690 760 HG21 ILE 91 1HG2 ILE 91 -18.127 5.058 -4.571 761 HG22 ILE 91 2HG2 ILE 91 -17.322 5.195 -3.009 762 HG23 ILE 91 3HG2 ILE 91 -16.368 5.147 -4.492 763 HD11 ILE 91 3HD1 ILE 91 -15.541 1.088 -5.690 764 HD12 ILE 91 1HD1 ILE 91 -16.876 2.148 -6.140 765 HD13 ILE 91 2HD1 ILE 91 -15.211 2.655 -6.427 766 H TYR 92 H TYR 92 -19.736 1.848 -2.950 767 HA TYR 92 HA TYR 92 -21.330 4.094 -2.295 768 HB2 TYR 92 2HB TYR 92 -22.028 2.286 -3.854 769 HB3 TYR 92 3HB TYR 92 -22.177 1.196 -2.480 770 HD1 TYR 92 HD2 TYR 92 -23.422 4.510 -3.670 771 HD2 TYR 92 HD1 TYR 92 -24.242 0.968 -1.460 772 HE1 TYR 92 HE2 TYR 92 -25.738 5.265 -3.331 773 HE2 TYR 92 HE1 TYR 92 -26.561 1.712 -1.116 774 HH TYR 92 HH TYR 92 -27.595 4.899 -1.846 775 H PHE 93 H PHE 93 -20.385 1.201 -0.516 776 HA PHE 93 HA PHE 93 -22.086 1.585 1.704 777 HB2 PHE 93 2HB PHE 93 -20.802 -0.527 1.062 778 HB3 PHE 93 3HB PHE 93 -19.395 0.228 1.804 779 HD1 PHE 93 HD2 PHE 93 -22.980 -0.405 2.635 780 HD2 PHE 93 HD1 PHE 93 -18.937 -0.363 3.965 781 HE1 PHE 93 HE2 PHE 93 -23.699 -1.238 4.836 782 HE2 PHE 93 HE1 PHE 93 -19.649 -1.197 6.167 783 HZ PHE 93 HZ PHE 93 -22.033 -1.634 6.606 784 H ARG 94 H ARG 94 -18.655 2.393 1.213 785 HA ARG 94 HA ARG 94 -18.286 3.635 3.715 786 HB2 ARG 94 2HB ARG 94 -16.812 3.570 1.131 787 HB3 ARG 94 3HB ARG 94 -16.407 4.854 2.262 788 HG2 ARG 94 2HG ARG 94 -14.930 3.306 2.982 789 HG3 ARG 94 3HG ARG 94 -16.317 2.791 3.943 790 HD2 ARG 94 2HD ARG 94 -16.846 1.062 2.380 791 HD3 ARG 94 3HD ARG 94 -15.653 1.665 1.230 792 HE ARG 94 HE ARG 94 -14.156 1.099 3.400 793 HH11 ARG 94 1HH1 ARG 94 -16.528 -0.722 1.618 794 HH12 ARG 94 2HH1 ARG 94 -15.799 -2.256 1.961 795 HH21 ARG 94 1HH2 ARG 94 -13.186 -0.914 3.858 796 HH22 ARG 94 2HH2 ARG 94 -13.898 -2.364 3.236 797 H ILE 95 H ILE 95 -19.417 4.830 0.614 798 HA ILE 95 HA ILE 95 -19.358 7.593 1.385 799 HB ILE 95 HB ILE 95 -20.599 6.150 -0.948 800 HG12 ILE 95 2HG1 ILE 95 -18.384 8.206 -0.822 801 HG13 ILE 95 3HG1 ILE 95 -18.117 6.466 -0.859 802 HG21 ILE 95 1HG2 ILE 95 -22.094 7.937 -0.572 803 HG22 ILE 95 2HG2 ILE 95 -20.783 9.056 -0.203 804 HG23 ILE 95 3HG2 ILE 95 -21.010 8.477 -1.853 805 HD11 ILE 95 3HD1 ILE 95 -19.403 6.459 -3.036 806 HD12 ILE 95 1HD1 ILE 95 -19.262 8.217 -3.007 807 HD13 ILE 95 2HD1 ILE 95 -17.811 7.216 -3.059 808 H LEU 96 H LEU 96 -21.616 4.978 1.644 809 HA LEU 96 HA LEU 96 -23.844 6.748 2.253 810 HB2 LEU 96 2HB LEU 96 -24.138 4.673 0.910 811 HB3 LEU 96 3HB LEU 96 -23.722 3.738 2.345 812 HG LEU 96 HG LEU 96 -25.835 5.438 3.096 813 HD11 LEU 96 1HD1 LEU 96 -27.360 5.503 1.455 814 HD12 LEU 96 2HD1 LEU 96 -26.945 3.894 0.865 815 HD13 LEU 96 3HD1 LEU 96 -25.971 5.285 0.389 816 HD21 LEU 96 3HD2 LEU 96 -26.988 3.011 2.810 817 HD22 LEU 96 1HD2 LEU 96 -25.952 3.460 4.165 818 HD23 LEU 96 2HD2 LEU 96 -25.281 2.562 2.803 819 H LEU 97 H LEU 97 -21.277 5.359 3.893 820 HA LEU 97 HA LEU 97 -22.172 4.431 6.285 821 HB2 LEU 97 2HB LEU 97 -19.830 6.128 5.549 822 HB3 LEU 97 3HB LEU 97 -20.142 5.771 7.247 823 HG LEU 97 HG LEU 97 -19.712 3.689 5.106 824 HD11 LEU 97 1HD1 LEU 97 -17.504 3.661 5.550 825 HD12 LEU 97 2HD1 LEU 97 -17.728 4.087 7.246 826 HD13 LEU 97 3HD1 LEU 97 -17.789 5.340 6.008 827 HD21 LEU 97 3HD2 LEU 97 -19.475 2.166 7.012 828 HD22 LEU 97 1HD2 LEU 97 -21.076 2.904 6.960 829 HD23 LEU 97 2HD2 LEU 97 -19.874 3.487 8.112 830 HA PRO 98 HA PRO 98 -24.320 7.576 8.464 831 HB2 PRO 98 2HB PRO 98 -23.488 7.173 11.016 832 HB3 PRO 98 3HB PRO 98 -24.584 6.069 10.178 833 HG2 PRO 98 2HG PRO 98 -21.630 5.842 10.608 834 HG3 PRO 98 3HG PRO 98 -22.880 4.593 10.750 835 HD2 PRO 98 2HD PRO 98 -21.288 4.820 8.571 836 HD3 PRO 98 3HD PRO 98 -22.963 4.240 8.474 837 H TYR 99 H TYR 99 -20.865 7.360 9.246 838 HA TYR 99 HA TYR 99 -20.686 9.995 10.311 839 HB2 TYR 99 2HB TYR 99 -18.768 7.843 9.581 840 HB3 TYR 99 3HB TYR 99 -18.135 9.482 9.689 841 HD1 TYR 99 HD1 TYR 99 -20.402 7.248 11.662 842 HD2 TYR 99 HD2 TYR 99 -17.229 10.083 11.716 843 HE1 TYR 99 HE1 TYR 99 -20.247 7.019 14.106 844 HE2 TYR 99 HE2 TYR 99 -17.065 9.861 14.160 845 HH TYR 99 HH TYR 99 -17.633 8.256 15.905 846 H GLU 100 H GLU 100 -19.937 8.559 7.160 847 HA GLU 100 HA GLU 100 -18.881 10.898 5.985 848 HB2 GLU 100 2HB GLU 100 -18.426 8.775 4.969 849 HB3 GLU 100 3HB GLU 100 -20.141 8.435 4.779 850 HG2 GLU 100 2HG GLU 100 -20.148 9.380 2.784 851 HG3 GLU 100 3HG GLU 100 -19.528 10.886 3.458 852 H ARG 101 H ARG 101 -22.130 9.457 5.851 853 HA ARG 101 HA ARG 101 -23.264 11.486 4.240 854 HB2 ARG 101 2HB ARG 101 -25.350 10.464 4.662 855 HB3 ARG 101 3HB ARG 101 -24.181 9.151 4.674 856 HG2 ARG 101 2HG ARG 101 -25.324 8.593 6.540 857 HG3 ARG 101 3HG ARG 101 -24.175 9.714 7.274 858 HD2 ARG 101 2HD ARG 101 -25.859 10.982 7.967 859 HD3 ARG 101 3HD ARG 101 -26.355 11.233 6.293 860 HE ARG 101 HE ARG 101 -27.412 8.818 6.889 861 HH11 ARG 101 1HH1 ARG 101 -27.532 11.927 8.452 862 HH12 ARG 101 2HH1 ARG 101 -29.104 11.669 9.133 863 HH21 ARG 101 1HH2 ARG 101 -29.482 8.467 7.780 864 HH22 ARG 101 2HH2 ARG 101 -30.212 9.701 8.751 865 H HIS 102 H HIS 102 -22.802 11.141 7.689 866 HA HIS 102 HA HIS 102 -24.565 13.219 8.486 867 HB2 HIS 102 2HB HIS 102 -23.904 11.579 10.111 868 HB3 HIS 102 3HB HIS 102 -22.199 11.941 9.863 869 HD1 HIS 102 HD1 HIS 102 -24.855 14.571 10.373 870 HD2 HIS 102 HD2 HIS 102 -21.668 12.848 12.407 871 HE1 HIS 102 HE1 HIS 102 -24.535 15.975 12.434 872 H MET 103 H MET 103 -21.103 13.102 7.766 873 HA MET 103 HA MET 103 -20.449 15.711 8.538 874 HB2 MET 103 2HB MET 103 -19.185 13.548 7.144 875 HB3 MET 103 3HB MET 103 -18.876 15.047 6.278 876 HG2 MET 103 2HG MET 103 -17.125 14.556 7.899 877 HG3 MET 103 3HG MET 103 -17.970 16.054 8.282 878 HE1 MET 103 3HE MET 103 -18.080 16.585 10.654 879 HE2 MET 103 1HE MET 103 -17.823 15.409 11.943 880 HE3 MET 103 2HE MET 103 -16.587 15.648 10.708 881 H ILE 104 H ILE 104 -21.563 14.441 5.420 882 HA ILE 104 HA ILE 104 -21.559 17.071 4.218 883 HB ILE 104 HB ILE 104 -22.454 15.967 2.230 884 HG12 ILE 104 2HG1 ILE 104 -22.400 13.305 2.539 885 HG13 ILE 104 3HG1 ILE 104 -22.883 13.755 4.171 886 HG21 ILE 104 1HG2 ILE 104 -20.247 14.248 3.326 887 HG22 ILE 104 2HG2 ILE 104 -20.525 14.744 1.657 888 HG23 ILE 104 3HG2 ILE 104 -19.994 15.928 2.852 889 HD11 ILE 104 3HD1 ILE 104 -24.679 13.256 2.370 890 HD12 ILE 104 1HD1 ILE 104 -24.900 14.609 3.479 891 HD13 ILE 104 2HD1 ILE 104 -24.334 14.900 1.833 892 H SER 105 H SER 105 -23.679 15.252 6.123 893 HA SER 105 HA SER 105 -26.168 16.088 5.056 894 HB2 SER 105 2HB SER 105 -26.253 14.207 6.478 895 HB3 SER 105 3HB SER 105 -25.319 15.012 7.739 896 HG SER 105 HG SER 105 -28.000 15.023 7.299 897 H GLN 106 H GLN 106 -23.879 17.534 7.251 898 HA GLN 106 HA GLN 106 -25.467 19.425 8.520 899 HB2 GLN 106 2HB GLN 106 -22.598 19.700 7.607 900 HB3 GLN 106 3HB GLN 106 -23.393 20.747 8.775 901 HG2 GLN 106 2HG GLN 106 -23.516 19.056 10.383 902 HG3 GLN 106 3HG GLN 106 -23.200 17.789 9.199 903 HE21 GLN 106 1HE2 GLN 106 -21.845 20.075 11.355 904 HE22 GLN 106 2HE2 GLN 106 -20.185 19.679 11.092 905 H GLU 107 H GLU 107 -23.957 19.516 5.332 906 HA GLU 107 HA GLU 107 -25.356 22.054 4.804 907 HB2 GLU 107 2HB GLU 107 -22.740 21.757 4.594 908 HB3 GLU 107 3HB GLU 107 -23.162 21.056 3.038 909 HG2 GLU 107 2HG GLU 107 -24.518 23.576 3.538 910 HG3 GLU 107 3HG GLU 107 -22.762 23.722 3.568 911 H GLY 108 H GLY 108 -26.338 19.213 4.615 912 HA2 GLY 108 2HA GLY 108 -27.746 19.526 2.141 913 HA3 GLY 108 3HA GLY 108 -26.554 18.237 2.060 914 H ILE 109 H ILE 109 -28.696 19.265 4.704 915 HA ILE 109 HA ILE 109 -29.293 16.689 5.581 916 HB ILE 109 HB ILE 109 -31.318 17.750 6.657 917 HG12 ILE 109 2HG1 ILE 109 -30.204 20.398 5.828 918 HG13 ILE 109 3HG1 ILE 109 -31.292 19.557 4.730 919 HG21 ILE 109 1HG2 ILE 109 -30.043 18.835 8.314 920 HG22 ILE 109 2HG2 ILE 109 -28.980 17.609 7.625 921 HG23 ILE 109 3HG2 ILE 109 -28.793 19.299 7.160 922 HD11 ILE 109 3HD1 ILE 109 -32.940 20.540 5.838 923 HD12 ILE 109 1HD1 ILE 109 -32.591 19.421 7.155 924 HD13 ILE 109 2HD1 ILE 109 -31.869 21.031 7.151 925 H LYS 110 H LYS 110 -30.565 18.496 2.929 926 HA LYS 110 HA LYS 110 -33.072 17.323 2.600 927 HB2 LYS 110 2HB LYS 110 -31.185 18.161 0.393 928 HB3 LYS 110 3HB LYS 110 -32.934 18.016 0.281 929 HG2 LYS 110 2HG LYS 110 -31.425 19.995 1.977 930 HG3 LYS 110 3HG LYS 110 -32.259 20.340 0.460 931 HD2 LYS 110 2HD LYS 110 -34.230 19.143 1.915 932 HD3 LYS 110 3HD LYS 110 -33.329 19.997 3.170 933 HE2 LYS 110 2HE LYS 110 -34.588 21.757 2.581 934 HE3 LYS 110 3HE LYS 110 -33.476 21.890 1.220 935 HZ1 LYS 110 3HZ LYS 110 -36.250 21.169 1.243 936 HZ2 LYS 110 1HZ LYS 110 -35.303 20.066 0.377 937 HZ3 LYS 110 2HZ LYS 110 -35.285 21.705 -0.039 938 H GLU 111 H GLU 111 -29.897 16.057 2.026 939 HA GLU 111 HA GLU 111 -30.718 13.923 0.301 940 HB2 GLU 111 2HB GLU 111 -28.287 15.042 1.060 941 HB3 GLU 111 3HB GLU 111 -28.255 13.434 1.770 942 HG2 GLU 111 2HG GLU 111 -29.033 12.687 -0.607 943 HG3 GLU 111 3HG GLU 111 -28.356 14.240 -1.095 944 H THR 112 H THR 112 -30.556 14.422 3.721 945 HA THR 112 HA THR 112 -30.484 11.714 4.544 946 HB THR 112 HB THR 112 -31.749 13.978 6.088 947 HG1 THR 112 HG1 THR 112 -29.817 14.799 6.326 948 HG21 THR 112 3HG2 THR 112 -30.859 12.671 8.024 949 HG22 THR 112 1HG2 THR 112 -30.413 11.394 6.894 950 HG23 THR 112 2HG2 THR 112 -32.108 11.833 7.105 951 H GLN 113 H GLN 113 -33.180 14.011 4.180 952 HA GLN 113 HA GLN 113 -35.229 12.257 4.927 953 HB2 GLN 113 2HB GLN 113 -35.016 14.901 3.881 954 HB3 GLN 113 3HB GLN 113 -36.214 14.032 2.931 955 HG2 GLN 113 2HG GLN 113 -37.397 13.434 4.994 956 HG3 GLN 113 3HG GLN 113 -36.212 14.351 5.924 957 HE21 GLN 113 1HE2 GLN 113 -39.213 14.562 5.221 958 HE22 GLN 113 2HE2 GLN 113 -39.402 16.235 4.835 959 H ALA 114 H ALA 114 -33.373 12.462 2.037 960 HA ALA 114 HA ALA 114 -35.142 11.340 0.178 961 HB1 ALA 114 1HB ALA 114 -32.431 12.102 0.235 962 HB2 ALA 114 2HB ALA 114 -32.481 10.433 -0.335 963 HB3 ALA 114 3HB ALA 114 -33.412 11.678 -1.168 964 H LYS 115 H LYS 115 -33.370 9.919 2.791 965 HA LYS 115 HA LYS 115 -33.230 7.801 3.609 966 HB2 LYS 115 2HB LYS 115 -35.889 8.130 2.582 967 HB3 LYS 115 3HB LYS 115 -35.372 6.470 2.322 968 HG2 LYS 115 2HG LYS 115 -34.580 6.871 4.886 969 HG3 LYS 115 3HG LYS 115 -36.030 7.875 4.806 970 HD2 LYS 115 2HD LYS 115 -37.214 5.882 3.814 971 HD3 LYS 115 3HD LYS 115 -35.786 4.929 4.222 972 HE2 LYS 115 2HE LYS 115 -36.660 6.507 6.474 973 HE3 LYS 115 3HE LYS 115 -37.971 5.498 5.865 974 HZ1 LYS 115 3HZ LYS 115 -35.331 4.655 6.891 975 HZ2 LYS 115 1HZ LYS 115 -36.265 3.632 5.919 976 HZ3 LYS 115 2HZ LYS 115 -36.868 4.169 7.405 977 H ARG 116 H ARG 116 -33.440 5.335 2.799 978 HA ARG 116 HA ARG 116 -31.486 5.113 0.708 979 HB2 ARG 116 2HB ARG 116 -32.546 3.433 2.811 980 HB3 ARG 116 3HB ARG 116 -32.454 2.550 1.293 981 HG2 ARG 116 2HG ARG 116 -30.170 2.671 1.198 982 HG3 ARG 116 3HG ARG 116 -30.100 4.145 2.165 983 HD2 ARG 116 2HD ARG 116 -29.266 2.459 3.568 984 HD3 ARG 116 3HD ARG 116 -30.925 2.721 4.105 985 HE ARG 116 HE ARG 116 -30.694 0.628 2.164 986 HH11 ARG 116 1HH1 ARG 116 -30.415 1.406 5.545 987 HH12 ARG 116 2HH1 ARG 116 -30.721 -0.214 6.077 988 HH21 ARG 116 1HH2 ARG 116 -31.098 -1.509 2.852 989 HH22 ARG 116 2HH2 ARG 116 -31.108 -1.872 4.545 Start of MODEL 8 1 H1 GLN 1 H GLN 1 7.280 3.994 -5.878 2 HA GLN 1 HA GLN 1 5.338 2.302 -5.230 3 HB2 GLN 1 2HB GLN 1 7.829 2.277 -4.536 4 HB3 GLN 1 3HB GLN 1 7.275 3.052 -3.057 5 HG2 GLN 1 2HG GLN 1 5.898 1.177 -2.511 6 HG3 GLN 1 3HG GLN 1 6.216 0.428 -4.075 7 HE21 GLN 1 1HE2 GLN 1 6.709 -0.413 -1.240 8 HE22 GLN 1 2HE2 GLN 1 8.378 -0.859 -1.203 9 H SER 2 H SER 2 3.342 2.654 -4.526 10 HA SER 2 HA SER 2 1.588 3.340 -3.249 11 HB2 SER 2 2HB SER 2 3.861 3.256 -1.372 12 HB3 SER 2 3HB SER 2 2.516 4.274 -0.858 13 HG SER 2 HG SER 2 2.690 1.649 -0.724 14 H LEU 3 H LEU 3 0.914 5.081 -4.438 15 HA LEU 3 HA LEU 3 1.065 7.633 -3.230 16 HB2 LEU 3 2HB LEU 3 2.201 8.820 -5.085 17 HB3 LEU 3 3HB LEU 3 3.261 7.761 -4.156 18 HG LEU 3 HG LEU 3 2.233 6.326 -6.410 19 HD11 LEU 3 1HD1 LEU 3 2.079 8.813 -7.177 20 HD12 LEU 3 2HD1 LEU 3 2.797 7.603 -8.239 21 HD13 LEU 3 3HD1 LEU 3 3.833 8.681 -7.304 22 HD21 LEU 3 3HD2 LEU 3 4.258 5.730 -5.255 23 HD22 LEU 3 1HD2 LEU 3 4.978 7.297 -5.625 24 HD23 LEU 3 2HD2 LEU 3 4.653 6.149 -6.923 25 H ASN 4 H ASN 4 0.119 9.354 -4.810 26 HA ASN 4 HA ASN 4 -2.389 8.365 -5.697 27 HB2 ASN 4 2HB ASN 4 -1.050 10.991 -5.526 28 HB3 ASN 4 3HB ASN 4 -2.267 10.852 -6.791 29 HD21 ASN 4 1HD2 ASN 4 -1.743 11.582 -3.610 30 HD22 ASN 4 2HD2 ASN 4 -3.359 11.427 -3.019 31 HA PRO 5 HA PRO 5 -1.705 7.393 -9.921 32 HB2 PRO 5 2HB PRO 5 -3.967 8.325 -11.099 33 HB3 PRO 5 3HB PRO 5 -3.943 6.892 -10.065 34 HG2 PRO 5 2HG PRO 5 -4.748 9.696 -9.396 35 HG3 PRO 5 3HG PRO 5 -5.533 8.170 -8.949 36 HD2 PRO 5 2HD PRO 5 -3.941 9.544 -7.243 37 HD3 PRO 5 3HD PRO 5 -4.059 7.773 -7.221 38 H ALA 6 H ALA 6 -2.538 10.719 -9.161 39 HA ALA 6 HA ALA 6 -2.033 12.711 -10.150 40 HB1 ALA 6 1HB ALA 6 0.214 12.012 -9.529 41 HB2 ALA 6 2HB ALA 6 0.383 11.152 -11.059 42 HB3 ALA 6 3HB ALA 6 0.237 12.909 -11.048 43 H LEU 7 H LEU 7 -3.644 10.791 -11.690 44 HA LEU 7 HA LEU 7 -2.915 11.533 -14.438 45 HB2 LEU 7 2HB LEU 7 -3.839 9.132 -13.289 46 HB3 LEU 7 3HB LEU 7 -5.148 9.744 -14.298 47 HG LEU 7 HG LEU 7 -3.819 8.202 -15.573 48 HD11 LEU 7 1HD1 LEU 7 -4.657 10.429 -16.558 49 HD12 LEU 7 2HD1 LEU 7 -3.490 9.483 -17.481 50 HD13 LEU 7 3HD1 LEU 7 -2.955 10.891 -16.565 51 HD21 LEU 7 3HD2 LEU 7 -1.361 9.302 -16.005 52 HD22 LEU 7 1HD2 LEU 7 -1.696 7.969 -14.900 53 HD23 LEU 7 2HD2 LEU 7 -1.606 9.620 -14.286 54 H GLN 8 H GLN 8 -5.589 11.545 -12.125 55 HA GLN 8 HA GLN 8 -6.773 13.782 -13.585 56 HB2 GLN 8 2HB GLN 8 -8.221 11.233 -12.872 57 HB3 GLN 8 3HB GLN 8 -9.054 12.732 -13.259 58 HG2 GLN 8 2HG GLN 8 -7.524 12.599 -15.412 59 HG3 GLN 8 3HG GLN 8 -7.555 10.880 -15.021 60 HE21 GLN 8 1HE2 GLN 8 -9.883 13.564 -15.025 61 HE22 GLN 8 2HE2 GLN 8 -11.114 12.718 -15.892 62 H GLU 9 H GLU 9 -5.316 13.921 -11.242 63 HA GLU 9 HA GLU 9 -7.319 14.202 -9.116 64 HB2 GLU 9 2HB GLU 9 -5.405 14.384 -7.586 65 HB3 GLU 9 3HB GLU 9 -5.348 12.898 -8.522 66 HG2 GLU 9 2HG GLU 9 -3.676 13.840 -9.988 67 HG3 GLU 9 3HG GLU 9 -3.779 15.387 -9.149 68 H LYS 10 H LYS 10 -7.533 16.072 -11.106 69 HA LYS 10 HA LYS 10 -6.046 18.428 -10.728 70 HB2 LYS 10 2HB LYS 10 -8.475 17.633 -12.160 71 HB3 LYS 10 3HB LYS 10 -8.497 19.306 -11.620 72 HG2 LYS 10 2HG LYS 10 -7.518 19.589 -13.645 73 HG3 LYS 10 3HG LYS 10 -6.072 19.297 -12.677 74 HD2 LYS 10 2HD LYS 10 -5.598 17.681 -14.147 75 HD3 LYS 10 3HD LYS 10 -6.886 16.758 -13.370 76 HE2 LYS 10 2HE LYS 10 -7.936 16.722 -15.329 77 HE3 LYS 10 3HE LYS 10 -8.181 18.460 -15.163 78 HZ1 LYS 10 3HZ LYS 10 -5.727 18.459 -16.113 79 HZ2 LYS 10 1HZ LYS 10 -7.083 18.438 -17.125 80 HZ3 LYS 10 2HZ LYS 10 -6.253 17.002 -16.795 81 H ILE 11 H ILE 11 -5.863 19.002 -8.588 82 HA ILE 11 HA ILE 11 -8.260 19.369 -6.984 83 HB ILE 11 HB ILE 11 -6.222 18.401 -5.966 84 HG12 ILE 11 2HG1 ILE 11 -6.141 20.422 -4.134 85 HG13 ILE 11 3HG1 ILE 11 -7.650 20.779 -4.966 86 HG21 ILE 11 1HG2 ILE 11 -5.011 21.147 -6.127 87 HG22 ILE 11 2HG2 ILE 11 -4.248 19.639 -5.624 88 HG23 ILE 11 3HG2 ILE 11 -4.672 19.890 -7.317 89 HD11 ILE 11 3HD1 ILE 11 -6.898 18.300 -3.457 90 HD12 ILE 11 1HD1 ILE 11 -8.223 19.421 -3.145 91 HD13 ILE 11 2HD1 ILE 11 -8.277 18.362 -4.554 92 H SER 12 H SER 12 -9.229 21.262 -6.587 93 HA SER 12 HA SER 12 -9.709 23.488 -6.602 94 HB2 SER 12 2HB SER 12 -8.069 24.923 -5.921 95 HB3 SER 12 3HB SER 12 -7.191 23.418 -5.648 96 HG SER 12 HG SER 12 -5.794 24.244 -6.978 97 H THR 13 H THR 13 -10.687 24.456 -8.240 98 HA THR 13 HA THR 13 -9.528 24.220 -10.923 99 HB THR 13 HB THR 13 -12.335 24.963 -10.075 100 HG1 THR 13 HG1 THR 13 -12.588 22.870 -10.069 101 HG21 THR 13 3HG2 THR 13 -12.600 25.793 -12.126 102 HG22 THR 13 1HG2 THR 13 -12.251 24.193 -12.779 103 HG23 THR 13 2HG2 THR 13 -10.946 25.359 -12.558 104 H GLU 14 H GLU 14 -11.650 26.680 -9.473 105 HA GLU 14 HA GLU 14 -9.984 28.743 -10.726 106 HB2 GLU 14 2HB GLU 14 -12.801 28.857 -9.636 107 HB3 GLU 14 3HB GLU 14 -11.938 30.237 -10.302 108 HG2 GLU 14 2HG GLU 14 -12.901 27.779 -11.722 109 HG3 GLU 14 3HG GLU 14 -13.328 29.463 -12.022 110 H LEU 15 H LEU 15 -9.946 27.224 -7.928 111 HA LEU 15 HA LEU 15 -8.887 27.735 -5.960 112 HB2 LEU 15 2HB LEU 15 -8.023 29.737 -7.531 113 HB3 LEU 15 3HB LEU 15 -8.967 30.660 -6.364 114 HG LEU 15 HG LEU 15 -7.535 29.267 -4.632 115 HD11 LEU 15 1HD1 LEU 15 -6.432 28.346 -6.977 116 HD12 LEU 15 2HD1 LEU 15 -5.693 28.258 -5.379 117 HD13 LEU 15 3HD1 LEU 15 -5.296 29.593 -6.461 118 HD21 LEU 15 3HD2 LEU 15 -6.294 31.174 -4.285 119 HD22 LEU 15 1HD2 LEU 15 -7.644 31.806 -5.229 120 HD23 LEU 15 2HD2 LEU 15 -6.094 31.489 -6.010 121 H ASN 16 H ASN 16 -11.822 28.936 -7.041 122 HA ASN 16 HA ASN 16 -12.615 29.974 -4.423 123 HB2 ASN 16 2HB ASN 16 -14.158 29.908 -7.026 124 HB3 ASN 16 3HB ASN 16 -14.659 30.723 -5.547 125 HD21 ASN 16 1HD2 ASN 16 -13.439 31.260 -8.484 126 HD22 ASN 16 2HD2 ASN 16 -12.521 32.694 -8.188 127 H ASN 17 H ASN 17 -13.549 27.488 -6.777 128 HA ASN 17 HA ASN 17 -15.545 26.356 -5.056 129 HB2 ASN 17 2HB ASN 17 -14.329 24.894 -7.379 130 HB3 ASN 17 3HB ASN 17 -15.987 24.851 -6.787 131 HD21 ASN 17 1HD2 ASN 17 -13.809 26.266 -8.959 132 HD22 ASN 17 2HD2 ASN 17 -14.873 27.450 -9.630 133 H LYS 18 H LYS 18 -12.153 26.004 -5.450 134 HA LYS 18 HA LYS 18 -11.668 23.396 -4.686 135 HB2 LYS 18 2HB LYS 18 -9.487 24.090 -4.063 136 HB3 LYS 18 3HB LYS 18 -9.978 25.149 -5.378 137 HG2 LYS 18 2HG LYS 18 -9.158 26.724 -3.987 138 HG3 LYS 18 3HG LYS 18 -10.792 26.642 -3.325 139 HD2 LYS 18 2HD LYS 18 -9.664 24.703 -1.879 140 HD3 LYS 18 3HD LYS 18 -8.226 25.679 -2.193 141 HE2 LYS 18 2HE LYS 18 -10.755 26.943 -1.202 142 HE3 LYS 18 3HE LYS 18 -9.640 26.162 -0.081 143 HZ1 LYS 18 3HZ LYS 18 -9.350 28.648 -1.553 144 HZ2 LYS 18 1HZ LYS 18 -7.960 27.687 -1.465 145 HZ3 LYS 18 2HZ LYS 18 -8.724 28.200 -0.046 146 H GLN 19 H GLN 19 -12.652 26.125 -2.731 147 HA GLN 19 HA GLN 19 -12.103 24.964 -0.203 148 HB2 GLN 19 2HB GLN 19 -12.741 27.448 -0.973 149 HB3 GLN 19 3HB GLN 19 -14.336 26.905 -0.467 150 HG2 GLN 19 2HG GLN 19 -13.784 26.868 1.718 151 HG3 GLN 19 3HG GLN 19 -12.125 26.361 1.404 152 HE21 GLN 19 1HE2 GLN 19 -11.816 28.006 3.147 153 HE22 GLN 19 2HE2 GLN 19 -11.571 29.644 2.654 154 H TYR 20 H TYR 20 -15.038 25.151 -2.187 155 HA TYR 20 HA TYR 20 -16.680 23.755 -0.332 156 HB2 TYR 20 2HB TYR 20 -16.934 24.631 -3.172 157 HB3 TYR 20 3HB TYR 20 -18.046 23.400 -2.583 158 HD1 TYR 20 HD2 TYR 20 -16.873 26.868 -2.043 159 HD2 TYR 20 HD1 TYR 20 -19.864 23.969 -1.174 160 HE1 TYR 20 HE2 TYR 20 -18.277 28.624 -1.046 161 HE2 TYR 20 HE1 TYR 20 -21.277 25.717 -0.175 162 HH TYR 20 HH TYR 20 -20.091 28.942 0.383 163 H GLU 21 H GLU 21 -14.966 22.779 -3.285 164 HA GLU 21 HA GLU 21 -15.824 20.106 -3.315 165 HB2 GLU 21 2HB GLU 21 -13.587 21.631 -4.547 166 HB3 GLU 21 3HB GLU 21 -13.452 19.879 -4.523 167 HG2 GLU 21 2HG GLU 21 -14.483 20.159 -6.525 168 HG3 GLU 21 3HG GLU 21 -15.897 20.012 -5.483 169 H LEU 22 H LEU 22 -12.939 21.607 -1.894 170 HA LEU 22 HA LEU 22 -11.819 19.201 -0.912 171 HB2 LEU 22 2HB LEU 22 -10.511 21.235 -1.235 172 HB3 LEU 22 3HB LEU 22 -11.439 22.041 0.028 173 HG LEU 22 HG LEU 22 -10.005 19.557 0.780 174 HD11 LEU 22 1HD1 LEU 22 -8.177 20.388 -0.334 175 HD12 LEU 22 2HD1 LEU 22 -7.997 21.164 1.239 176 HD13 LEU 22 3HD1 LEU 22 -8.670 22.067 -0.118 177 HD21 LEU 22 3HD2 LEU 22 -10.793 22.154 2.030 178 HD22 LEU 22 1HD2 LEU 22 -9.500 21.189 2.743 179 HD23 LEU 22 2HD2 LEU 22 -11.116 20.505 2.567 180 H PHE 23 H PHE 23 -14.150 21.473 0.373 181 HA PHE 23 HA PHE 23 -14.105 20.691 3.063 182 HB2 PHE 23 2HB PHE 23 -15.788 22.301 1.349 183 HB3 PHE 23 3HB PHE 23 -16.765 21.357 2.469 184 HD1 PHE 23 HD1 PHE 23 -15.354 21.286 4.914 185 HD2 PHE 23 HD2 PHE 23 -15.565 24.457 2.082 186 HE1 PHE 23 HE1 PHE 23 -14.876 22.910 6.700 187 HE2 PHE 23 HE2 PHE 23 -15.085 26.085 3.863 188 HZ PHE 23 HZ PHE 23 -14.739 25.312 6.176 189 H MET 24 H MET 24 -16.136 19.547 0.376 190 HA MET 24 HA MET 24 -17.373 17.517 1.997 191 HB2 MET 24 2HB MET 24 -18.313 18.769 -0.100 192 HB3 MET 24 3HB MET 24 -17.460 17.521 -0.998 193 HG2 MET 24 2HG MET 24 -19.212 16.205 -0.736 194 HG3 MET 24 3HG MET 24 -18.884 16.176 0.995 195 HE1 MET 24 3HE MET 24 -21.499 15.461 0.320 196 HE2 MET 24 1HE MET 24 -22.796 16.652 0.420 197 HE3 MET 24 2HE MET 24 -21.932 16.415 -1.099 198 H LYS 25 H LYS 25 -14.742 17.700 -0.311 199 HA LYS 25 HA LYS 25 -14.404 14.923 -0.716 200 HB2 LYS 25 2HB LYS 25 -13.437 16.685 -2.177 201 HB3 LYS 25 3HB LYS 25 -12.319 17.106 -0.886 202 HG2 LYS 25 2HG LYS 25 -12.095 14.323 -1.316 203 HG3 LYS 25 3HG LYS 25 -12.061 15.112 -2.895 204 HD2 LYS 25 2HD LYS 25 -9.813 14.989 -2.114 205 HD3 LYS 25 3HD LYS 25 -10.325 16.672 -1.971 206 HE2 LYS 25 2HE LYS 25 -10.770 16.337 0.407 207 HE3 LYS 25 3HE LYS 25 -10.284 14.648 0.267 208 HZ1 LYS 25 3HZ LYS 25 -8.655 17.022 0.455 209 HZ2 LYS 25 1HZ LYS 25 -8.153 15.938 -0.743 210 HZ3 LYS 25 2HZ LYS 25 -8.288 15.421 0.862 211 H SER 26 H SER 26 -13.104 17.182 1.658 212 HA SER 26 HA SER 26 -11.270 15.340 2.821 213 HB2 SER 26 2HB SER 26 -10.739 17.580 3.241 214 HB3 SER 26 3HB SER 26 -12.402 17.996 3.656 215 HG SER 26 HG SER 26 -10.423 17.237 5.277 216 H LEU 27 H LEU 27 -14.622 16.185 3.413 217 HA LEU 27 HA LEU 27 -14.846 14.798 5.893 218 HB2 LEU 27 2HB LEU 27 -16.854 15.828 3.910 219 HB3 LEU 27 3HB LEU 27 -17.334 14.954 5.363 220 HG LEU 27 HG LEU 27 -15.839 17.575 5.286 221 HD11 LEU 27 1HD1 LEU 27 -17.810 18.586 5.249 222 HD12 LEU 27 2HD1 LEU 27 -18.363 17.638 6.630 223 HD13 LEU 27 3HD1 LEU 27 -18.580 17.020 4.992 224 HD21 LEU 27 3HD2 LEU 27 -16.786 17.268 7.816 225 HD22 LEU 27 1HD2 LEU 27 -15.139 16.897 7.307 226 HD23 LEU 27 2HD2 LEU 27 -16.341 15.611 7.405 227 H ILE 28 H ILE 28 -15.841 14.015 2.567 228 HA ILE 28 HA ILE 28 -16.904 11.482 3.106 229 HB ILE 28 HB ILE 28 -17.353 12.518 0.991 230 HG12 ILE 28 2HG1 ILE 28 -16.820 10.683 -0.552 231 HG13 ILE 28 3HG1 ILE 28 -15.600 10.087 0.567 232 HG21 ILE 28 1HG2 ILE 28 -14.926 13.537 1.004 233 HG22 ILE 28 2HG2 ILE 28 -14.575 12.133 -0.002 234 HG23 ILE 28 3HG2 ILE 28 -15.804 13.293 -0.506 235 HD11 ILE 28 3HD1 ILE 28 -17.643 8.781 0.693 236 HD12 ILE 28 1HD1 ILE 28 -17.330 9.619 2.213 237 HD13 ILE 28 2HD1 ILE 28 -18.556 10.233 1.103 238 H GLU 29 H GLU 29 -13.629 12.426 2.094 239 HA GLU 29 HA GLU 29 -12.591 9.793 2.035 240 HB2 GLU 29 2HB GLU 29 -10.428 10.814 1.841 241 HB3 GLU 29 3HB GLU 29 -11.566 11.765 0.896 242 HG2 GLU 29 2HG GLU 29 -10.359 13.396 1.963 243 HG3 GLU 29 3HG GLU 29 -11.745 13.213 3.038 244 H ASN 30 H ASN 30 -12.886 12.212 4.555 245 HA ASN 30 HA ASN 30 -11.158 11.023 6.440 246 HB2 ASN 30 2HB ASN 30 -11.813 13.300 6.769 247 HB3 ASN 30 3HB ASN 30 -13.522 12.874 6.761 248 HD21 ASN 30 1HD2 ASN 30 -14.434 12.829 8.671 249 HD22 ASN 30 2HD2 ASN 30 -13.649 12.489 10.172 250 H CYS 31 H CYS 31 -14.713 10.905 6.182 251 HA CYS 31 HA CYS 31 -15.033 8.987 8.241 252 HB2 CYS 31 2HB CYS 31 -16.851 9.838 5.983 253 HB3 CYS 31 3HB CYS 31 -17.336 8.711 7.243 254 HG CYS 31 HG CYS 31 -16.790 10.674 9.295 255 H LYS 32 H LYS 32 -14.909 8.725 4.708 256 HA LYS 32 HA LYS 32 -15.413 5.960 4.554 257 HB2 LYS 32 2HB LYS 32 -15.567 7.478 2.621 258 HB3 LYS 32 3HB LYS 32 -13.824 7.708 2.665 259 HG2 LYS 32 2HG LYS 32 -14.120 4.963 2.547 260 HG3 LYS 32 3HG LYS 32 -15.388 5.577 1.483 261 HD2 LYS 32 2HD LYS 32 -13.713 6.933 0.298 262 HD3 LYS 32 3HD LYS 32 -12.454 6.275 1.346 263 HE2 LYS 32 2HE LYS 32 -12.240 4.520 0.004 264 HE3 LYS 32 3HE LYS 32 -13.934 4.106 0.257 265 HZ1 LYS 32 3HZ LYS 32 -14.320 4.647 -1.839 266 HZ2 LYS 32 1HZ LYS 32 -12.708 5.109 -2.062 267 HZ3 LYS 32 2HZ LYS 32 -13.846 6.241 -1.531 268 H LYS 33 H LYS 33 -12.525 7.786 5.234 269 HA LYS 33 HA LYS 33 -10.587 5.834 4.705 270 HB2 LYS 33 2HB LYS 33 -10.738 8.341 6.230 271 HB3 LYS 33 3HB LYS 33 -9.549 7.199 6.843 272 HG2 LYS 33 2HG LYS 33 -9.391 7.409 3.973 273 HG3 LYS 33 3HG LYS 33 -9.237 8.991 4.741 274 HD2 LYS 33 2HD LYS 33 -7.713 6.925 6.112 275 HD3 LYS 33 3HD LYS 33 -7.225 7.125 4.427 276 HE2 LYS 33 2HE LYS 33 -7.632 9.669 5.763 277 HE3 LYS 33 3HE LYS 33 -6.424 8.677 6.579 278 HZ1 LYS 33 3HZ LYS 33 -6.000 8.564 3.799 279 HZ2 LYS 33 1HZ LYS 33 -4.973 9.168 5.001 280 HZ3 LYS 33 2HZ LYS 33 -6.107 10.186 4.267 281 H ARG 34 H ARG 34 -12.974 5.988 7.139 282 HA ARG 34 HA ARG 34 -11.598 4.379 9.081 283 HB2 ARG 34 2HB ARG 34 -13.811 6.014 9.147 284 HB3 ARG 34 3HB ARG 34 -14.523 4.408 9.224 285 HG2 ARG 34 2HG ARG 34 -14.026 4.271 11.373 286 HG3 ARG 34 3HG ARG 34 -12.314 4.496 11.011 287 HD2 ARG 34 2HD ARG 34 -12.626 6.922 11.047 288 HD3 ARG 34 3HD ARG 34 -14.339 6.698 11.400 289 HE ARG 34 HE ARG 34 -13.788 6.367 13.587 290 HH11 ARG 34 1HH1 ARG 34 -10.955 5.839 11.635 291 HH12 ARG 34 2HH1 ARG 34 -9.897 5.642 12.992 292 HH21 ARG 34 1HH2 ARG 34 -12.405 6.110 15.383 293 HH22 ARG 34 2HH2 ARG 34 -10.722 5.795 15.123 294 H ASN 35 H ASN 35 -12.839 3.683 6.112 295 HA ASN 35 HA ASN 35 -13.233 0.863 6.844 296 HB2 ASN 35 2HB ASN 35 -15.106 2.669 5.489 297 HB3 ASN 35 3HB ASN 35 -14.829 1.160 4.624 298 HD21 ASN 35 1HD2 ASN 35 -15.579 2.418 7.844 299 HD22 ASN 35 2HD2 ASN 35 -16.607 1.108 8.306 300 H MET 36 H MET 36 -12.649 3.125 4.162 301 HA MET 36 HA MET 36 -10.690 1.222 3.090 302 HB2 MET 36 2HB MET 36 -12.714 0.918 1.771 303 HB3 MET 36 3HB MET 36 -12.812 2.649 1.478 304 HG2 MET 36 2HG MET 36 -11.591 2.404 -0.342 305 HG3 MET 36 3HG MET 36 -10.255 1.805 0.639 306 HE1 MET 36 3HE MET 36 -10.048 -1.441 0.842 307 HE2 MET 36 1HE MET 36 -9.490 -1.211 -0.816 308 HE3 MET 36 2HE MET 36 -9.219 0.049 0.388 309 HA PRO 37 HA PRO 37 -8.977 5.516 3.487 310 HB2 PRO 37 2HB PRO 37 -6.634 4.725 4.609 311 HB3 PRO 37 3HB PRO 37 -8.093 5.044 5.555 312 HG2 PRO 37 2HG PRO 37 -6.973 2.428 4.624 313 HG3 PRO 37 3HG PRO 37 -7.660 2.853 6.203 314 HD2 PRO 37 2HD PRO 37 -9.061 1.503 4.319 315 HD3 PRO 37 3HD PRO 37 -9.830 2.625 5.459 316 H LEU 38 H LEU 38 -7.116 6.425 2.425 317 HA LEU 38 HA LEU 38 -6.124 4.722 0.241 318 HB2 LEU 38 2HB LEU 38 -7.462 7.065 0.050 319 HB3 LEU 38 3HB LEU 38 -5.797 7.642 0.047 320 HG LEU 38 HG LEU 38 -5.869 5.539 -1.804 321 HD11 LEU 38 1HD1 LEU 38 -8.464 6.297 -1.514 322 HD12 LEU 38 2HD1 LEU 38 -7.771 5.617 -2.986 323 HD13 LEU 38 3HD1 LEU 38 -7.927 7.365 -2.811 324 HD21 LEU 38 3HD2 LEU 38 -5.903 7.768 -3.333 325 HD22 LEU 38 1HD2 LEU 38 -4.480 7.176 -2.476 326 HD23 LEU 38 2HD2 LEU 38 -5.468 8.454 -1.767 327 H GLN 39 H GLN 39 -4.022 6.231 -0.648 328 HA GLN 39 HA GLN 39 -1.992 5.548 1.244 329 HB2 GLN 39 2HB GLN 39 -1.490 5.271 -1.077 330 HB3 GLN 39 3HB GLN 39 -1.909 6.942 -1.430 331 HG2 GLN 39 2HG GLN 39 0.260 6.487 0.526 332 HG3 GLN 39 3HG GLN 39 0.599 6.101 -1.160 333 HE21 GLN 39 1HE2 GLN 39 1.562 8.250 0.679 334 HE22 GLN 39 2HE2 GLN 39 1.288 9.721 -0.183 335 H SER 40 H SER 40 -3.317 8.590 0.001 336 HA SER 40 HA SER 40 -2.604 9.953 2.431 337 HB2 SER 40 2HB SER 40 -1.016 10.313 -0.057 338 HB3 SER 40 3HB SER 40 -1.429 11.771 0.846 339 HG SER 40 HG SER 40 0.456 11.061 1.711 340 H ILE 41 H ILE 41 -3.039 11.135 -0.892 341 HA ILE 41 HA ILE 41 -5.475 12.517 0.019 342 HB ILE 41 HB ILE 41 -3.747 13.242 -2.347 343 HG12 ILE 41 2HG1 ILE 41 -2.526 13.539 -0.230 344 HG13 ILE 41 3HG1 ILE 41 -2.908 15.087 -0.975 345 HG21 ILE 41 1HG2 ILE 41 -5.825 14.139 -2.800 346 HG22 ILE 41 2HG2 ILE 41 -6.192 14.416 -1.099 347 HG23 ILE 41 3HG2 ILE 41 -5.042 15.460 -1.934 348 HD11 ILE 41 3HD1 ILE 41 -3.902 15.745 0.880 349 HD12 ILE 41 1HD1 ILE 41 -5.024 14.388 0.786 350 HD13 ILE 41 2HD1 ILE 41 -3.490 14.207 1.637 351 HA PRO 42 HA PRO 42 -7.242 9.415 -2.793 352 HB2 PRO 42 2HB PRO 42 -9.732 9.565 -1.721 353 HB3 PRO 42 3HB PRO 42 -8.438 8.590 -1.014 354 HG2 PRO 42 2HG PRO 42 -9.402 11.313 -0.229 355 HG3 PRO 42 3HG PRO 42 -8.968 9.939 0.804 356 HD2 PRO 42 2HD PRO 42 -7.292 12.021 0.370 357 HD3 PRO 42 3HD PRO 42 -6.709 10.365 0.639 358 H GLU 43 H GLU 43 -7.484 10.274 -4.776 359 HA GLU 43 HA GLU 43 -9.781 11.969 -5.277 360 HB2 GLU 43 2HB GLU 43 -7.679 13.414 -4.777 361 HB3 GLU 43 3HB GLU 43 -7.146 12.902 -6.372 362 HG2 GLU 43 2HG GLU 43 -9.206 13.831 -7.337 363 HG3 GLU 43 3HG GLU 43 -9.682 14.392 -5.736 364 H ILE 44 H ILE 44 -10.593 11.757 -7.331 365 HA ILE 44 HA ILE 44 -9.055 10.458 -9.406 366 HB ILE 44 HB ILE 44 -9.809 8.496 -8.227 367 HG12 ILE 44 2HG1 ILE 44 -11.821 8.468 -10.388 368 HG13 ILE 44 3HG1 ILE 44 -10.201 8.951 -10.879 369 HG21 ILE 44 1HG2 ILE 44 -12.651 8.707 -8.576 370 HG22 ILE 44 2HG2 ILE 44 -11.724 8.401 -7.108 371 HG23 ILE 44 3HG2 ILE 44 -12.051 10.058 -7.615 372 HD11 ILE 44 3HD1 ILE 44 -10.345 6.552 -9.191 373 HD12 ILE 44 1HD1 ILE 44 -11.061 6.407 -10.795 374 HD13 ILE 44 2HD1 ILE 44 -9.372 6.883 -10.624 375 H GLY 45 H GLY 45 -9.526 11.530 -11.201 376 HA2 GLY 45 2HA GLY 45 -11.034 12.141 -12.938 377 HA3 GLY 45 3HA GLY 45 -12.324 12.229 -11.747 378 H ASN 46 H ASN 46 -12.390 14.055 -10.316 379 HA ASN 46 HA ASN 46 -10.661 16.236 -10.397 380 HB2 ASN 46 2HB ASN 46 -11.998 16.064 -12.797 381 HB3 ASN 46 3HB ASN 46 -12.995 17.196 -11.889 382 HD21 ASN 46 1HD2 ASN 46 -10.805 17.212 -14.134 383 HD22 ASN 46 2HD2 ASN 46 -9.871 18.604 -13.717 384 H ARG 47 H ARG 47 -12.241 14.804 -8.526 385 HA ARG 47 HA ARG 47 -13.497 15.179 -6.667 386 HB2 ARG 47 2HB ARG 47 -12.364 17.718 -7.344 387 HB3 ARG 47 3HB ARG 47 -14.000 17.969 -6.751 388 HG2 ARG 47 2HG ARG 47 -13.099 17.922 -4.719 389 HG3 ARG 47 3HG ARG 47 -12.972 16.177 -4.947 390 HD2 ARG 47 2HD ARG 47 -10.758 16.309 -4.874 391 HD3 ARG 47 3HD ARG 47 -10.764 17.425 -6.238 392 HE ARG 47 HE ARG 47 -10.385 18.078 -3.476 393 HH11 ARG 47 1HH1 ARG 47 -11.516 19.275 -6.543 394 HH12 ARG 47 2HH1 ARG 47 -11.236 20.938 -6.146 395 HH21 ARG 47 1HH2 ARG 47 -10.011 20.264 -2.941 396 HH22 ARG 47 2HH2 ARG 47 -10.379 21.499 -4.097 397 H LYS 48 H LYS 48 -15.456 14.311 -6.945 398 HA LYS 48 HA LYS 48 -17.565 16.022 -8.044 399 HB2 LYS 48 2HB LYS 48 -16.756 13.323 -9.023 400 HB3 LYS 48 3HB LYS 48 -18.471 13.713 -8.996 401 HG2 LYS 48 2HG LYS 48 -18.222 15.447 -10.539 402 HG3 LYS 48 3HG LYS 48 -16.476 15.533 -10.295 403 HD2 LYS 48 2HD LYS 48 -16.392 13.166 -11.232 404 HD3 LYS 48 3HD LYS 48 -18.060 13.428 -11.748 405 HE2 LYS 48 2HE LYS 48 -16.904 14.065 -13.631 406 HE3 LYS 48 3HE LYS 48 -17.081 15.610 -12.800 407 HZ1 LYS 48 3HZ LYS 48 -14.890 15.779 -12.513 408 HZ2 LYS 48 1HZ LYS 48 -14.747 14.564 -13.681 409 HZ3 LYS 48 2HZ LYS 48 -14.716 14.165 -12.038 410 H ILE 49 H ILE 49 -16.512 14.613 -5.424 411 HA ILE 49 HA ILE 49 -18.889 13.174 -4.599 412 HB ILE 49 HB ILE 49 -16.577 13.966 -2.837 413 HG12 ILE 49 2HG1 ILE 49 -16.057 11.383 -3.471 414 HG13 ILE 49 3HG1 ILE 49 -16.736 11.946 -4.994 415 HG21 ILE 49 1HG2 ILE 49 -17.682 12.852 -1.269 416 HG22 ILE 49 2HG2 ILE 49 -19.002 12.577 -2.404 417 HG23 ILE 49 3HG2 ILE 49 -17.689 11.407 -2.279 418 HD11 ILE 49 3HD1 ILE 49 -14.803 12.866 -5.520 419 HD12 ILE 49 1HD1 ILE 49 -14.876 13.883 -4.081 420 HD13 ILE 49 2HD1 ILE 49 -14.120 12.292 -3.999 421 H ASN 50 H ASN 50 -18.083 16.366 -4.847 422 HA ASN 50 HA ASN 50 -19.151 17.357 -2.384 423 HB2 ASN 50 2HB ASN 50 -17.498 18.593 -3.808 424 HB3 ASN 50 3HB ASN 50 -18.781 18.852 -4.987 425 HD21 ASN 50 1HD2 ASN 50 -19.211 20.946 -4.883 426 HD22 ASN 50 2HD2 ASN 50 -19.593 21.822 -3.443 427 H LEU 51 H LEU 51 -21.109 18.541 -2.116 428 HA LEU 51 HA LEU 51 -23.350 17.317 -3.383 429 HB2 LEU 51 2HB LEU 51 -22.951 18.559 -1.006 430 HB3 LEU 51 3HB LEU 51 -23.795 19.820 -1.903 431 HG LEU 51 HG LEU 51 -25.353 18.526 -0.570 432 HD11 LEU 51 1HD1 LEU 51 -25.727 17.765 -3.456 433 HD12 LEU 51 2HD1 LEU 51 -25.974 19.402 -2.847 434 HD13 LEU 51 3HD1 LEU 51 -26.968 18.077 -2.241 435 HD21 LEU 51 3HD2 LEU 51 -24.721 16.400 -0.204 436 HD22 LEU 51 1HD2 LEU 51 -23.878 16.274 -1.748 437 HD23 LEU 51 2HD2 LEU 51 -25.629 16.070 -1.680 438 H PHE 52 H PHE 52 -21.455 20.104 -4.035 439 HA PHE 52 HA PHE 52 -23.514 21.275 -5.750 440 HB2 PHE 52 2HB PHE 52 -21.646 22.444 -4.121 441 HB3 PHE 52 3HB PHE 52 -20.868 22.555 -5.697 442 HD1 PHE 52 HD1 PHE 52 -24.241 23.108 -4.195 443 HD2 PHE 52 HD2 PHE 52 -21.255 24.455 -6.912 444 HE1 PHE 52 HE1 PHE 52 -25.621 25.072 -4.733 445 HE2 PHE 52 HE2 PHE 52 -22.629 26.422 -7.453 446 HZ PHE 52 HZ PHE 52 -24.815 26.734 -6.363 447 H TYR 53 H TYR 53 -20.388 19.693 -5.897 448 HA TYR 53 HA TYR 53 -19.963 20.152 -8.681 449 HB2 TYR 53 2HB TYR 53 -18.260 19.506 -6.801 450 HB3 TYR 53 3HB TYR 53 -18.722 17.857 -7.204 451 HD1 TYR 53 HD1 TYR 53 -18.682 17.344 -9.822 452 HD2 TYR 53 HD2 TYR 53 -16.444 20.409 -7.898 453 HE1 TYR 53 HE1 TYR 53 -17.091 17.352 -11.698 454 HE2 TYR 53 HE2 TYR 53 -14.847 20.426 -9.769 455 HH TYR 53 HH TYR 53 -15.447 18.709 -12.712 456 H LEU 54 H LEU 54 -21.082 17.354 -6.795 457 HA LEU 54 HA LEU 54 -21.464 15.615 -8.965 458 HB2 LEU 54 2HB LEU 54 -21.419 15.025 -6.520 459 HB3 LEU 54 3HB LEU 54 -23.065 15.645 -6.415 460 HG LEU 54 HG LEU 54 -23.826 13.917 -7.962 461 HD11 LEU 54 1HD1 LEU 54 -21.926 13.589 -9.350 462 HD12 LEU 54 2HD1 LEU 54 -22.233 12.063 -8.522 463 HD13 LEU 54 3HD1 LEU 54 -20.925 13.114 -7.978 464 HD21 LEU 54 3HD2 LEU 54 -22.300 12.270 -6.065 465 HD22 LEU 54 1HD2 LEU 54 -24.040 12.389 -6.327 466 HD23 LEU 54 2HD2 LEU 54 -23.213 13.597 -5.343 467 H TYR 55 H TYR 55 -23.458 18.152 -7.628 468 HA TYR 55 HA TYR 55 -25.834 17.394 -9.045 469 HB2 TYR 55 2HB TYR 55 -25.040 19.474 -7.151 470 HB3 TYR 55 3HB TYR 55 -26.139 20.062 -8.393 471 HD1 TYR 55 HD1 TYR 55 -25.936 16.785 -6.610 472 HD2 TYR 55 HD2 TYR 55 -28.244 20.258 -7.455 473 HE1 TYR 55 HE1 TYR 55 -27.833 15.816 -5.381 474 HE2 TYR 55 HE2 TYR 55 -30.147 19.299 -6.227 475 HH TYR 55 HH TYR 55 -30.199 17.330 -4.158 476 H MET 56 H MET 56 -23.366 19.918 -9.450 477 HA MET 56 HA MET 56 -24.449 21.139 -11.718 478 HB2 MET 56 2HB MET 56 -22.649 22.156 -10.431 479 HB3 MET 56 3HB MET 56 -21.555 20.858 -10.890 480 HG2 MET 56 2HG MET 56 -21.728 21.555 -13.233 481 HG3 MET 56 3HG MET 56 -22.793 22.873 -12.750 482 HE1 MET 56 3HE MET 56 -19.694 24.853 -13.719 483 HE2 MET 56 1HE MET 56 -21.091 23.975 -14.342 484 HE3 MET 56 2HE MET 56 -21.318 25.280 -13.178 485 H LEU 57 H LEU 57 -22.265 18.378 -11.405 486 HA LEU 57 HA LEU 57 -21.658 18.047 -14.121 487 HB2 LEU 57 2HB LEU 57 -20.335 16.865 -12.595 488 HB3 LEU 57 3HB LEU 57 -21.738 16.172 -11.783 489 HG LEU 57 HG LEU 57 -21.606 15.325 -14.544 490 HD11 LEU 57 1HD1 LEU 57 -19.107 15.345 -13.020 491 HD12 LEU 57 2HD1 LEU 57 -19.384 15.149 -14.750 492 HD13 LEU 57 3HD1 LEU 57 -19.554 13.767 -13.668 493 HD21 LEU 57 3HD2 LEU 57 -22.754 14.386 -12.368 494 HD22 LEU 57 1HD2 LEU 57 -21.228 13.517 -12.210 495 HD23 LEU 57 2HD2 LEU 57 -22.217 13.307 -13.656 496 H VAL 58 H VAL 58 -24.212 16.561 -12.141 497 HA VAL 58 HA VAL 58 -25.354 14.979 -14.145 498 HB VAL 58 HB VAL 58 -26.760 16.271 -11.803 499 HG11 VAL 58 1HG1 VAL 58 -27.595 14.343 -13.867 500 HG12 VAL 58 2HG1 VAL 58 -28.027 13.925 -12.208 501 HG13 VAL 58 3HG1 VAL 58 -28.557 15.460 -12.899 502 HG21 VAL 58 3HG2 VAL 58 -24.670 14.430 -11.781 503 HG22 VAL 58 1HG2 VAL 58 -25.760 14.814 -10.449 504 HG23 VAL 58 2HG2 VAL 58 -26.125 13.466 -11.526 505 H GLN 59 H GLN 59 -26.231 18.254 -13.060 506 HA GLN 59 HA GLN 59 -28.347 18.654 -14.849 507 HB2 GLN 59 2HB GLN 59 -27.465 20.065 -12.797 508 HB3 GLN 59 3HB GLN 59 -26.607 20.946 -14.054 509 HG2 GLN 59 2HG GLN 59 -29.444 20.486 -14.612 510 HG3 GLN 59 3HG GLN 59 -29.121 21.498 -13.205 511 HE21 GLN 59 1HE2 GLN 59 -29.579 23.483 -13.902 512 HE22 GLN 59 2HE2 GLN 59 -28.871 24.242 -15.283 513 H LYS 60 H LYS 60 -24.883 19.075 -15.217 514 HA LYS 60 HA LYS 60 -24.989 20.480 -17.685 515 HB2 LYS 60 2HB LYS 60 -23.000 20.596 -16.322 516 HB3 LYS 60 3HB LYS 60 -22.793 18.851 -16.398 517 HG2 LYS 60 2HG LYS 60 -21.220 19.853 -17.879 518 HG3 LYS 60 3HG LYS 60 -22.460 19.063 -18.855 519 HD2 LYS 60 2HD LYS 60 -22.492 21.030 -19.955 520 HD3 LYS 60 3HD LYS 60 -23.515 21.545 -18.612 521 HE2 LYS 60 2HE LYS 60 -21.993 23.020 -17.937 522 HE3 LYS 60 3HE LYS 60 -20.730 21.791 -17.923 523 HZ1 LYS 60 3HZ LYS 60 -20.749 23.893 -19.567 524 HZ2 LYS 60 1HZ LYS 60 -21.505 22.741 -20.548 525 HZ3 LYS 60 2HZ LYS 60 -19.966 22.435 -19.917 526 H PHE 61 H PHE 61 -24.853 17.079 -16.808 527 HA PHE 61 HA PHE 61 -24.439 16.156 -19.489 528 HB2 PHE 61 2HB PHE 61 -24.689 14.976 -16.833 529 HB3 PHE 61 3HB PHE 61 -25.505 14.025 -18.070 530 HD1 PHE 61 HD2 PHE 61 -22.256 15.576 -17.193 531 HD2 PHE 61 HD1 PHE 61 -24.294 12.645 -19.510 532 HE1 PHE 61 HE2 PHE 61 -20.095 14.616 -17.872 533 HE2 PHE 61 HE1 PHE 61 -22.137 11.679 -20.192 534 HZ PHE 61 HZ PHE 61 -20.033 12.665 -19.374 535 H GLY 62 H GLY 62 -27.081 17.447 -17.904 536 HA2 GLY 62 2HA GLY 62 -29.130 17.858 -19.048 537 HA3 GLY 62 3HA GLY 62 -28.875 16.386 -19.972 538 H GLY 63 H GLY 63 -28.315 16.246 -16.574 539 HA2 GLY 63 2HA GLY 63 -29.773 15.606 -14.834 540 HA3 GLY 63 3HA GLY 63 -31.021 15.285 -16.028 541 H ALA 64 H ALA 64 -30.240 13.576 -13.861 542 HA ALA 64 HA ALA 64 -28.514 11.517 -14.476 543 HB1 ALA 64 1HB ALA 64 -31.108 10.836 -13.184 544 HB2 ALA 64 2HB ALA 64 -29.468 10.350 -12.752 545 HB3 ALA 64 3HB ALA 64 -30.032 11.979 -12.380 546 H ASP 65 H ASP 65 -31.736 12.122 -15.698 547 HA ASP 65 HA ASP 65 -32.224 9.583 -16.824 548 HB2 ASP 65 2HB ASP 65 -33.261 12.194 -17.923 549 HB3 ASP 65 3HB ASP 65 -34.020 10.607 -18.003 550 H GLN 66 H GLN 66 -30.570 12.446 -18.029 551 HA GLN 66 HA GLN 66 -30.297 11.556 -20.707 552 HB2 GLN 66 2HB GLN 66 -29.991 13.933 -19.681 553 HB3 GLN 66 3HB GLN 66 -28.336 13.411 -19.402 554 HG2 GLN 66 2HG GLN 66 -27.783 13.723 -21.526 555 HG3 GLN 66 3HG GLN 66 -29.195 12.839 -22.101 556 HE21 GLN 66 1HE2 GLN 66 -27.760 15.536 -22.669 557 HE22 GLN 66 2HE2 GLN 66 -29.080 16.639 -22.827 558 H VAL 67 H VAL 67 -28.287 11.248 -17.826 559 HA VAL 67 HA VAL 67 -26.027 10.134 -19.118 560 HB VAL 67 HB VAL 67 -26.854 9.668 -16.254 561 HG11 VAL 67 1HG1 VAL 67 -24.034 9.970 -17.122 562 HG12 VAL 67 2HG1 VAL 67 -24.727 8.965 -15.848 563 HG13 VAL 67 3HG1 VAL 67 -24.860 8.468 -17.536 564 HG21 VAL 67 3HG2 VAL 67 -25.405 11.662 -15.774 565 HG22 VAL 67 1HG2 VAL 67 -25.429 12.008 -17.503 566 HG23 VAL 67 2HG2 VAL 67 -26.931 12.027 -16.579 567 H THR 68 H THR 68 -28.903 8.725 -17.639 568 HA THR 68 HA THR 68 -27.988 6.017 -18.027 569 HB THR 68 HB THR 68 -29.454 6.556 -16.134 570 HG1 THR 68 HG1 THR 68 -29.516 4.439 -17.130 571 HG21 THR 68 3HG2 THR 68 -31.759 7.154 -16.427 572 HG22 THR 68 1HG2 THR 68 -31.626 7.011 -18.179 573 HG23 THR 68 2HG2 THR 68 -30.780 8.306 -17.333 574 H ARG 69 H ARG 69 -29.839 8.353 -19.792 575 HA ARG 69 HA ARG 69 -31.372 6.731 -21.447 576 HB2 ARG 69 2HB ARG 69 -31.607 9.163 -21.387 577 HB3 ARG 69 3HB ARG 69 -30.015 9.349 -22.111 578 HG2 ARG 69 2HG ARG 69 -30.938 8.021 -24.080 579 HG3 ARG 69 3HG ARG 69 -32.528 8.310 -23.370 580 HD2 ARG 69 2HD ARG 69 -31.898 10.775 -23.358 581 HD3 ARG 69 3HD ARG 69 -30.548 10.324 -24.398 582 HE ARG 69 HE ARG 69 -32.688 9.255 -25.661 583 HH11 ARG 69 1HH1 ARG 69 -31.964 12.437 -24.450 584 HH12 ARG 69 2HH1 ARG 69 -32.917 13.252 -25.645 585 HH21 ARG 69 1HH2 ARG 69 -33.946 10.316 -27.241 586 HH22 ARG 69 2HH2 ARG 69 -34.045 12.044 -27.232 587 H THR 70 H THR 70 -28.011 7.789 -21.814 588 HA THR 70 HA THR 70 -27.732 6.034 -24.150 589 HB THR 70 HB THR 70 -25.309 7.307 -23.880 590 HG1 THR 70 HG1 THR 70 -26.088 9.577 -23.632 591 HG21 THR 70 3HG2 THR 70 -26.601 7.018 -25.947 592 HG22 THR 70 1HG2 THR 70 -26.039 8.679 -25.765 593 HG23 THR 70 2HG2 THR 70 -27.721 8.275 -25.420 594 H GLN 71 H GLN 71 -27.544 5.646 -20.981 595 HA GLN 71 HA GLN 71 -26.449 4.249 -19.559 596 HB2 GLN 71 2HB GLN 71 -27.074 2.696 -21.497 597 HB3 GLN 71 3HB GLN 71 -25.394 2.831 -21.998 598 HG2 GLN 71 2HG GLN 71 -24.618 1.782 -20.039 599 HG3 GLN 71 3HG GLN 71 -26.183 1.943 -19.243 600 HE21 GLN 71 1HE2 GLN 71 -26.555 -0.177 -18.844 601 HE22 GLN 71 2HE2 GLN 71 -26.780 -1.367 -20.076 602 H GLN 72 H GLN 72 -25.108 6.549 -19.869 603 HA GLN 72 HA GLN 72 -22.295 5.793 -20.276 604 HB2 GLN 72 2HB GLN 72 -23.824 8.131 -20.967 605 HB3 GLN 72 3HB GLN 72 -22.490 8.582 -19.913 606 HG2 GLN 72 2HG GLN 72 -20.884 7.824 -21.414 607 HG3 GLN 72 3HG GLN 72 -22.044 6.835 -22.299 608 HE21 GLN 72 1HE2 GLN 72 -20.196 8.844 -23.294 609 HE22 GLN 72 2HE2 GLN 72 -21.159 10.032 -24.099 610 H TRP 73 H TRP 73 -24.450 5.960 -17.860 611 HA TRP 73 HA TRP 73 -23.276 7.513 -15.861 612 HB2 TRP 73 2HB TRP 73 -25.471 6.671 -15.491 613 HB3 TRP 73 3HB TRP 73 -24.947 5.005 -15.726 614 HD1 TRP 73 HD1 TRP 73 -23.896 3.746 -13.659 615 HE1 TRP 73 HE1 TRP 73 -23.746 4.307 -11.151 616 HE3 TRP 73 HE3 TRP 73 -25.186 8.690 -13.854 617 HZ2 TRP 73 HZ2 TRP 73 -24.124 6.549 -9.478 618 HZ3 TRP 73 HZ3 TRP 73 -25.268 9.971 -11.755 619 HH2 TRP 73 HH2 TRP 73 -24.749 8.920 -9.613 620 H SER 74 H SER 74 -22.568 4.241 -16.940 621 HA SER 74 HA SER 74 -20.852 3.526 -14.813 622 HB2 SER 74 2HB SER 74 -21.889 1.940 -16.477 623 HB3 SER 74 3HB SER 74 -20.707 2.507 -17.657 624 HG SER 74 HG SER 74 -19.067 1.717 -16.347 625 H MET 75 H MET 75 -20.327 5.202 -17.857 626 HA MET 75 HA MET 75 -17.486 5.166 -17.742 627 HB2 MET 75 2HB MET 75 -19.557 6.446 -19.402 628 HB3 MET 75 3HB MET 75 -18.051 7.344 -19.276 629 HG2 MET 75 2HG MET 75 -17.923 4.443 -19.902 630 HG3 MET 75 3HG MET 75 -18.439 5.560 -21.163 631 HE1 MET 75 3HE MET 75 -15.824 3.851 -19.382 632 HE2 MET 75 1HE MET 75 -14.294 4.650 -19.746 633 HE3 MET 75 2HE MET 75 -15.316 5.256 -18.443 634 H VAL 76 H VAL 76 -19.918 7.619 -16.901 635 HA VAL 76 HA VAL 76 -18.022 9.531 -15.983 636 HB VAL 76 HB VAL 76 -19.960 10.691 -14.990 637 HG11 VAL 76 1HG1 VAL 76 -20.795 9.755 -17.709 638 HG12 VAL 76 2HG1 VAL 76 -20.882 11.373 -17.009 639 HG13 VAL 76 3HG1 VAL 76 -19.324 10.703 -17.494 640 HG21 VAL 76 3HG2 VAL 76 -21.393 8.167 -15.777 641 HG22 VAL 76 1HG2 VAL 76 -21.325 8.941 -14.194 642 HG23 VAL 76 2HG2 VAL 76 -22.237 9.691 -15.503 643 H ALA 77 H ALA 77 -19.975 7.052 -14.397 644 HA ALA 77 HA ALA 77 -19.527 7.725 -11.740 645 HB1 ALA 77 1HB ALA 77 -20.021 5.099 -13.102 646 HB2 ALA 77 2HB ALA 77 -19.788 5.202 -11.356 647 HB3 ALA 77 3HB ALA 77 -21.123 6.065 -12.120 648 H GLN 78 H GLN 78 -17.498 5.916 -13.986 649 HA GLN 78 HA GLN 78 -15.589 5.069 -12.067 650 HB2 GLN 78 2HB GLN 78 -15.931 4.076 -14.356 651 HB3 GLN 78 3HB GLN 78 -15.127 5.491 -15.021 652 HG2 GLN 78 2HG GLN 78 -13.070 4.896 -14.158 653 HG3 GLN 78 3HG GLN 78 -13.776 3.855 -12.922 654 HE21 GLN 78 1HE2 GLN 78 -14.636 1.819 -13.569 655 HE22 GLN 78 2HE2 GLN 78 -14.048 1.031 -14.989 656 H ARG 79 H ARG 79 -15.992 7.974 -13.964 657 HA ARG 79 HA ARG 79 -13.431 9.054 -13.788 658 HB2 ARG 79 2HB ARG 79 -15.774 9.877 -14.876 659 HB3 ARG 79 3HB ARG 79 -15.669 10.958 -13.492 660 HG2 ARG 79 2HG ARG 79 -14.286 12.253 -14.629 661 HG3 ARG 79 3HG ARG 79 -13.127 10.925 -14.717 662 HD2 ARG 79 2HD ARG 79 -15.432 11.094 -16.624 663 HD3 ARG 79 3HD ARG 79 -13.950 12.007 -16.910 664 HE ARG 79 HE ARG 79 -13.238 9.359 -16.407 665 HH11 ARG 79 1HH1 ARG 79 -14.964 11.205 -18.801 666 HH12 ARG 79 2HH1 ARG 79 -14.581 10.125 -20.100 667 HH21 ARG 79 1HH2 ARG 79 -12.727 7.929 -18.109 668 HH22 ARG 79 2HH2 ARG 79 -13.309 8.261 -19.705 669 H LEU 80 H LEU 80 -16.150 9.276 -11.525 670 HA LEU 80 HA LEU 80 -14.434 10.665 -9.601 671 HB2 LEU 80 2HB LEU 80 -16.416 11.207 -8.402 672 HB3 LEU 80 3HB LEU 80 -16.705 11.542 -10.108 673 HG LEU 80 HG LEU 80 -17.595 8.927 -8.983 674 HD11 LEU 80 1HD1 LEU 80 -19.835 10.280 -8.640 675 HD12 LEU 80 2HD1 LEU 80 -18.710 11.598 -8.313 676 HD13 LEU 80 3HD1 LEU 80 -18.643 10.122 -7.349 677 HD21 LEU 80 3HD2 LEU 80 -18.050 8.960 -11.219 678 HD22 LEU 80 1HD2 LEU 80 -18.250 10.712 -11.268 679 HD23 LEU 80 2HD2 LEU 80 -19.533 9.697 -10.609 680 H GLN 81 H GLN 81 -15.158 7.569 -10.412 681 HA GLN 81 HA GLN 81 -14.875 5.558 -9.389 682 HB2 GLN 81 2HB GLN 81 -12.818 6.720 -8.520 683 HB3 GLN 81 3HB GLN 81 -13.731 7.117 -7.070 684 HG2 GLN 81 2HG GLN 81 -14.081 4.381 -7.392 685 HG3 GLN 81 3HG GLN 81 -12.390 4.671 -7.794 686 HE21 GLN 81 1HE2 GLN 81 -10.991 5.400 -6.219 687 HE22 GLN 81 2HE2 GLN 81 -11.395 5.403 -4.540 688 H ILE 82 H ILE 82 -17.386 6.456 -9.257 689 HA ILE 82 HA ILE 82 -18.271 6.150 -6.476 690 HB ILE 82 HB ILE 82 -19.148 8.096 -7.705 691 HG12 ILE 82 2HG1 ILE 82 -21.605 6.505 -7.485 692 HG13 ILE 82 3HG1 ILE 82 -20.534 6.350 -6.097 693 HG21 ILE 82 1HG2 ILE 82 -20.938 6.475 -9.385 694 HG22 ILE 82 2HG2 ILE 82 -20.132 8.005 -9.728 695 HG23 ILE 82 3HG2 ILE 82 -19.243 6.488 -9.871 696 HD11 ILE 82 3HD1 ILE 82 -22.158 8.618 -6.988 697 HD12 ILE 82 1HD1 ILE 82 -21.626 8.160 -5.370 698 HD13 ILE 82 2HD1 ILE 82 -20.532 9.030 -6.446 699 H SER 83 H SER 83 -18.498 4.701 -9.660 700 HA SER 83 HA SER 83 -19.699 2.323 -8.429 701 HB2 SER 83 2HB SER 83 -21.383 3.806 -9.715 702 HB3 SER 83 3HB SER 83 -20.560 3.235 -11.166 703 HG SER 83 HG SER 83 -22.225 1.833 -10.780 704 H ASP 84 H ASP 84 -17.280 1.914 -8.562 705 HA ASP 84 HA ASP 84 -16.331 1.195 -11.218 706 HB2 ASP 84 2HB ASP 84 -15.091 1.542 -8.536 707 HB3 ASP 84 3HB ASP 84 -14.317 0.411 -9.642 708 H TYR 85 H TYR 85 -18.342 -0.382 -10.978 709 HA TYR 85 HA TYR 85 -18.985 -2.563 -11.095 710 HB2 TYR 85 2HB TYR 85 -16.179 -3.384 -10.374 711 HB3 TYR 85 3HB TYR 85 -17.365 -4.269 -11.327 712 HD1 TYR 85 HD2 TYR 85 -18.258 -2.466 -13.343 713 HD2 TYR 85 HD1 TYR 85 -14.360 -2.838 -11.680 714 HE1 TYR 85 HE2 TYR 85 -17.295 -1.539 -15.408 715 HE2 TYR 85 HE1 TYR 85 -13.386 -1.910 -13.739 716 HH TYR 85 HH TYR 85 -14.239 -1.831 -16.305 717 H GLN 86 H GLN 86 -17.374 -4.570 -9.360 718 HA GLN 86 HA GLN 86 -19.134 -4.806 -7.255 719 HB2 GLN 86 2HB GLN 86 -17.462 -6.245 -6.185 720 HB3 GLN 86 3HB GLN 86 -17.590 -6.584 -7.906 721 HG2 GLN 86 2HG GLN 86 -15.575 -5.233 -8.301 722 HG3 GLN 86 3HG GLN 86 -15.437 -4.965 -6.564 723 HE21 GLN 86 1HE2 GLN 86 -14.372 -6.410 -5.378 724 HE22 GLN 86 2HE2 GLN 86 -13.811 -7.944 -5.940 725 H GLN 87 H GLN 87 -16.231 -2.854 -7.482 726 HA GLN 87 HA GLN 87 -15.837 -2.224 -4.805 727 HB2 GLN 87 2HB GLN 87 -14.923 -1.261 -7.338 728 HB3 GLN 87 3HB GLN 87 -15.326 0.117 -6.324 729 HG2 GLN 87 2HG GLN 87 -13.914 -1.588 -4.651 730 HG3 GLN 87 3HG GLN 87 -13.069 -1.673 -6.196 731 HE21 GLN 87 1HE2 GLN 87 -11.470 -0.290 -6.338 732 HE22 GLN 87 2HE2 GLN 87 -11.412 1.288 -5.636 733 H LEU 88 H LEU 88 -18.313 -1.199 -6.988 734 HA LEU 88 HA LEU 88 -19.136 1.205 -5.899 735 HB2 LEU 88 2HB LEU 88 -20.153 0.468 -7.894 736 HB3 LEU 88 3HB LEU 88 -20.676 -1.045 -7.158 737 HG LEU 88 HG LEU 88 -22.342 0.141 -5.847 738 HD11 LEU 88 1HD1 LEU 88 -22.730 2.495 -6.067 739 HD12 LEU 88 2HD1 LEU 88 -21.458 2.639 -7.280 740 HD13 LEU 88 3HD1 LEU 88 -21.044 2.246 -5.612 741 HD21 LEU 88 3HD2 LEU 88 -22.335 -0.153 -8.656 742 HD22 LEU 88 1HD2 LEU 88 -23.143 1.372 -8.291 743 HD23 LEU 88 2HD2 LEU 88 -23.720 -0.127 -7.564 744 H GLU 89 H GLU 89 -19.469 -2.016 -4.640 745 HA GLU 89 HA GLU 89 -21.531 -1.492 -2.767 746 HB2 GLU 89 2HB GLU 89 -19.978 -3.717 -3.560 747 HB3 GLU 89 3HB GLU 89 -19.747 -3.536 -1.827 748 HG2 GLU 89 2HG GLU 89 -21.588 -4.829 -1.763 749 HG3 GLU 89 3HG GLU 89 -22.396 -3.270 -1.916 750 H SER 90 H SER 90 -17.996 -1.451 -2.546 751 HA SER 90 HA SER 90 -17.890 -0.862 0.225 752 HB2 SER 90 2HB SER 90 -15.941 -0.788 -2.041 753 HB3 SER 90 3HB SER 90 -15.517 0.030 -0.537 754 HG SER 90 HG SER 90 -15.855 -2.688 -1.060 755 H ILE 91 H ILE 91 -17.767 1.156 -2.683 756 HA ILE 91 HA ILE 91 -17.330 3.608 -1.347 757 HB ILE 91 HB ILE 91 -18.653 3.140 -4.022 758 HG12 ILE 91 2HG1 ILE 91 -15.909 4.131 -4.006 759 HG13 ILE 91 3HG1 ILE 91 -16.053 2.547 -3.253 760 HG21 ILE 91 1HG2 ILE 91 -19.090 5.327 -3.899 761 HG22 ILE 91 2HG2 ILE 91 -18.047 5.543 -2.494 762 HG23 ILE 91 3HG2 ILE 91 -17.356 5.561 -4.117 763 HD11 ILE 91 3HD1 ILE 91 -16.732 3.350 -6.057 764 HD12 ILE 91 1HD1 ILE 91 -15.593 2.123 -5.502 765 HD13 ILE 91 2HD1 ILE 91 -17.329 1.854 -5.339 766 H TYR 92 H TYR 92 -20.273 1.945 -2.394 767 HA TYR 92 HA TYR 92 -22.073 4.008 -1.700 768 HB2 TYR 92 2HB TYR 92 -22.532 2.003 -3.192 769 HB3 TYR 92 3HB TYR 92 -22.709 1.058 -1.718 770 HD1 TYR 92 HD2 TYR 92 -23.957 4.317 -3.075 771 HD2 TYR 92 HD1 TYR 92 -24.869 0.711 -1.008 772 HE1 TYR 92 HE2 TYR 92 -26.313 5.006 -2.923 773 HE2 TYR 92 HE1 TYR 92 -27.227 1.391 -0.850 774 HH TYR 92 HH TYR 92 -28.678 3.418 -2.616 775 H PHE 93 H PHE 93 -20.820 1.221 0.074 776 HA PHE 93 HA PHE 93 -22.463 1.497 2.350 777 HB2 PHE 93 2HB PHE 93 -20.778 -0.413 1.547 778 HB3 PHE 93 3HB PHE 93 -19.704 0.424 2.663 779 HD1 PHE 93 HD2 PHE 93 -21.341 1.199 4.863 780 HD2 PHE 93 HD1 PHE 93 -21.537 -2.346 2.516 781 HE1 PHE 93 HE2 PHE 93 -22.377 0.011 6.751 782 HE2 PHE 93 HE1 PHE 93 -22.574 -3.541 4.401 783 HZ PHE 93 HZ PHE 93 -22.994 -2.363 6.523 784 H ARG 94 H ARG 94 -19.128 2.578 1.731 785 HA ARG 94 HA ARG 94 -18.765 3.872 4.203 786 HB2 ARG 94 2HB ARG 94 -17.406 3.909 1.559 787 HB3 ARG 94 3HB ARG 94 -17.074 5.247 2.651 788 HG2 ARG 94 2HG ARG 94 -15.517 3.959 3.565 789 HG3 ARG 94 3HG ARG 94 -16.834 3.007 4.255 790 HD2 ARG 94 2HD ARG 94 -16.050 2.414 1.460 791 HD3 ARG 94 3HD ARG 94 -14.919 1.943 2.728 792 HE ARG 94 HE ARG 94 -17.641 1.117 3.196 793 HH11 ARG 94 1HH1 ARG 94 -14.583 0.293 1.749 794 HH12 ARG 94 2HH1 ARG 94 -14.888 -1.412 1.763 795 HH21 ARG 94 1HH2 ARG 94 -18.054 -1.126 3.220 796 HH22 ARG 94 2HH2 ARG 94 -16.863 -2.218 2.600 797 H ILE 95 H ILE 95 -20.212 4.905 1.191 798 HA ILE 95 HA ILE 95 -20.333 7.683 1.923 799 HB ILE 95 HB ILE 95 -21.564 6.096 -0.318 800 HG12 ILE 95 2HG1 ILE 95 -19.612 8.402 -0.381 801 HG13 ILE 95 3HG1 ILE 95 -19.116 6.713 -0.339 802 HG21 ILE 95 1HG2 ILE 95 -23.233 7.672 0.005 803 HG22 ILE 95 2HG2 ILE 95 -22.097 8.917 0.520 804 HG23 ILE 95 3HG2 ILE 95 -22.186 8.454 -1.179 805 HD11 ILE 95 3HD1 ILE 95 -20.392 6.364 -2.446 806 HD12 ILE 95 1HD1 ILE 95 -20.666 8.105 -2.505 807 HD13 ILE 95 2HD1 ILE 95 -19.024 7.467 -2.593 808 H LEU 96 H LEU 96 -22.319 4.882 2.363 809 HA LEU 96 HA LEU 96 -24.690 6.412 3.026 810 HB2 LEU 96 2HB LEU 96 -24.014 3.592 2.585 811 HB3 LEU 96 3HB LEU 96 -25.209 3.868 3.851 812 HG LEU 96 HG LEU 96 -26.281 3.396 1.719 813 HD11 LEU 96 1HD1 LEU 96 -27.864 5.120 1.770 814 HD12 LEU 96 2HD1 LEU 96 -26.674 6.318 2.280 815 HD13 LEU 96 3HD1 LEU 96 -27.206 5.069 3.406 816 HD21 LEU 96 3HD2 LEU 96 -26.078 5.309 -0.021 817 HD22 LEU 96 1HD2 LEU 96 -24.832 4.062 0.044 818 HD23 LEU 96 2HD2 LEU 96 -24.541 5.639 0.779 819 H LEU 97 H LEU 97 -21.923 5.201 4.620 820 HA LEU 97 HA LEU 97 -22.679 4.537 7.141 821 HB2 LEU 97 2HB LEU 97 -20.331 5.709 5.921 822 HB3 LEU 97 3HB LEU 97 -20.553 6.275 7.575 823 HG LEU 97 HG LEU 97 -20.502 3.996 8.397 824 HD11 LEU 97 1HD1 LEU 97 -21.553 3.022 6.326 825 HD12 LEU 97 2HD1 LEU 97 -20.218 2.098 7.012 826 HD13 LEU 97 3HD1 LEU 97 -19.957 3.092 5.580 827 HD21 LEU 97 3HD2 LEU 97 -18.149 3.774 6.712 828 HD22 LEU 97 1HD2 LEU 97 -18.275 4.022 8.454 829 HD23 LEU 97 2HD2 LEU 97 -18.360 5.402 7.359 830 HA PRO 98 HA PRO 98 -24.690 7.924 9.077 831 HB2 PRO 98 2HB PRO 98 -23.821 7.678 11.638 832 HB3 PRO 98 3HB PRO 98 -24.979 6.561 10.905 833 HG2 PRO 98 2HG PRO 98 -22.029 6.242 11.298 834 HG3 PRO 98 3HG PRO 98 -23.326 5.061 11.556 835 HD2 PRO 98 2HD PRO 98 -21.772 5.057 9.338 836 HD3 PRO 98 3HD PRO 98 -23.472 4.543 9.315 837 H TYR 99 H TYR 99 -21.228 7.621 9.784 838 HA TYR 99 HA TYR 99 -20.897 10.293 10.686 839 HB2 TYR 99 2HB TYR 99 -18.783 8.464 9.536 840 HB3 TYR 99 3HB TYR 99 -18.522 9.852 10.585 841 HD1 TYR 99 HD1 TYR 99 -20.036 9.660 12.854 842 HD2 TYR 99 HD2 TYR 99 -18.542 6.414 10.545 843 HE1 TYR 99 HE1 TYR 99 -20.177 8.199 14.828 844 HE2 TYR 99 HE2 TYR 99 -18.680 4.943 12.512 845 HH TYR 99 HH TYR 99 -20.051 4.895 14.682 846 H GLU 100 H GLU 100 -20.344 8.691 7.572 847 HA GLU 100 HA GLU 100 -19.300 10.954 6.242 848 HB2 GLU 100 2HB GLU 100 -19.154 8.524 5.509 849 HB3 GLU 100 3HB GLU 100 -20.807 8.692 4.935 850 HG2 GLU 100 2HG GLU 100 -18.562 10.468 4.025 851 HG3 GLU 100 3HG GLU 100 -19.011 8.973 3.206 852 H ARG 101 H ARG 101 -22.572 9.564 6.329 853 HA ARG 101 HA ARG 101 -23.767 11.481 4.648 854 HB2 ARG 101 2HB ARG 101 -25.865 10.605 5.378 855 HB3 ARG 101 3HB ARG 101 -24.741 9.256 5.288 856 HG2 ARG 101 2HG ARG 101 -24.422 9.367 7.714 857 HG3 ARG 101 3HG ARG 101 -25.574 10.702 7.794 858 HD2 ARG 101 2HD ARG 101 -26.962 8.791 6.399 859 HD3 ARG 101 3HD ARG 101 -26.038 7.829 7.552 860 HE ARG 101 HE ARG 101 -27.352 10.063 8.768 861 HH11 ARG 101 1HH1 ARG 101 -27.766 6.785 7.673 862 HH12 ARG 101 2HH1 ARG 101 -29.077 6.451 8.755 863 HH21 ARG 101 1HH2 ARG 101 -29.078 9.636 10.198 864 HH22 ARG 101 2HH2 ARG 101 -29.823 8.073 10.190 865 H HIS 102 H HIS 102 -23.165 11.407 8.107 866 HA HIS 102 HA HIS 102 -24.786 13.629 8.788 867 HB2 HIS 102 2HB HIS 102 -22.597 12.101 10.119 868 HB3 HIS 102 3HB HIS 102 -23.027 13.678 10.776 869 HD1 HIS 102 HD1 HIS 102 -23.615 11.780 12.784 870 HD2 HIS 102 HD2 HIS 102 -26.243 12.224 9.596 871 HE1 HIS 102 HE1 HIS 102 -25.804 10.830 13.579 872 H MET 103 H MET 103 -21.314 13.317 8.097 873 HA MET 103 HA MET 103 -20.609 15.988 8.521 874 HB2 MET 103 2HB MET 103 -19.432 13.866 6.731 875 HB3 MET 103 3HB MET 103 -18.708 15.458 6.914 876 HG2 MET 103 2HG MET 103 -19.216 13.546 9.180 877 HG3 MET 103 3HG MET 103 -17.680 13.715 8.334 878 HE1 MET 103 3HE MET 103 -16.139 14.279 9.591 879 HE2 MET 103 1HE MET 103 -15.801 15.922 10.138 880 HE3 MET 103 2HE MET 103 -16.492 14.746 11.256 881 H ILE 104 H ILE 104 -21.703 14.342 5.577 882 HA ILE 104 HA ILE 104 -21.530 16.699 3.958 883 HB ILE 104 HB ILE 104 -22.630 15.404 2.229 884 HG12 ILE 104 2HG1 ILE 104 -23.047 13.315 4.379 885 HG13 ILE 104 3HG1 ILE 104 -24.308 14.282 3.622 886 HG21 ILE 104 1HG2 ILE 104 -20.863 14.039 1.803 887 HG22 ILE 104 2HG2 ILE 104 -20.178 14.950 3.147 888 HG23 ILE 104 3HG2 ILE 104 -20.862 13.349 3.426 889 HD11 ILE 104 3HD1 ILE 104 -22.634 12.123 2.385 890 HD12 ILE 104 1HD1 ILE 104 -24.383 12.165 2.602 891 HD13 ILE 104 2HD1 ILE 104 -23.613 13.240 1.435 892 H SER 105 H SER 105 -23.915 15.296 6.033 893 HA SER 105 HA SER 105 -26.243 16.433 4.950 894 HB2 SER 105 2HB SER 105 -26.909 14.960 6.539 895 HB3 SER 105 3HB SER 105 -25.453 15.198 7.506 896 HG SER 105 HG SER 105 -26.370 16.906 8.496 897 H GLN 106 H GLN 106 -23.778 17.722 7.083 898 HA GLN 106 HA GLN 106 -25.075 19.974 8.062 899 HB2 GLN 106 2HB GLN 106 -22.230 19.263 7.532 900 HB3 GLN 106 3HB GLN 106 -22.607 20.947 7.872 901 HG2 GLN 106 2HG GLN 106 -23.939 19.803 9.882 902 HG3 GLN 106 3HG GLN 106 -22.685 18.587 9.643 903 HE21 GLN 106 1HE2 GLN 106 -21.082 18.860 11.003 904 HE22 GLN 106 2HE2 GLN 106 -20.420 20.371 11.517 905 H GLU 107 H GLU 107 -23.468 19.459 4.966 906 HA GLU 107 HA GLU 107 -24.359 22.134 4.116 907 HB2 GLU 107 2HB GLU 107 -21.836 21.187 4.017 908 HB3 GLU 107 3HB GLU 107 -22.417 20.642 2.450 909 HG2 GLU 107 2HG GLU 107 -23.236 23.329 2.773 910 HG3 GLU 107 3HG GLU 107 -21.535 23.226 3.226 911 H GLY 108 H GLY 108 -25.859 19.523 4.187 912 HA2 GLY 108 2HA GLY 108 -27.279 19.836 1.773 913 HA3 GLY 108 3HA GLY 108 -26.181 18.474 1.611 914 H ILE 109 H ILE 109 -28.276 19.690 4.228 915 HA ILE 109 HA ILE 109 -28.902 17.200 5.297 916 HB ILE 109 HB ILE 109 -30.968 18.348 6.210 917 HG12 ILE 109 2HG1 ILE 109 -29.758 20.868 5.100 918 HG13 ILE 109 3HG1 ILE 109 -30.976 19.975 4.196 919 HG21 ILE 109 1HG2 ILE 109 -28.551 20.021 6.742 920 HG22 ILE 109 2HG2 ILE 109 -29.751 19.394 7.871 921 HG23 ILE 109 3HG2 ILE 109 -28.550 18.310 7.168 922 HD11 ILE 109 3HD1 ILE 109 -31.344 21.054 6.980 923 HD12 ILE 109 1HD1 ILE 109 -31.910 21.833 5.502 924 HD13 ILE 109 2HD1 ILE 109 -32.566 20.267 5.981 925 H LYS 110 H LYS 110 -30.122 18.782 2.478 926 HA LYS 110 HA LYS 110 -32.610 17.560 2.185 927 HB2 LYS 110 2HB LYS 110 -30.603 18.480 0.128 928 HB3 LYS 110 3HB LYS 110 -32.210 17.903 -0.294 929 HG2 LYS 110 2HG LYS 110 -31.600 20.268 1.469 930 HG3 LYS 110 3HG LYS 110 -32.113 20.338 -0.219 931 HD2 LYS 110 2HD LYS 110 -34.139 18.939 0.606 932 HD3 LYS 110 3HD LYS 110 -33.673 19.524 2.205 933 HE2 LYS 110 2HE LYS 110 -34.793 21.396 1.784 934 HE3 LYS 110 3HE LYS 110 -33.619 21.764 0.521 935 HZ1 LYS 110 3HZ LYS 110 -35.523 19.891 -0.417 936 HZ2 LYS 110 1HZ LYS 110 -35.155 21.429 -1.019 937 HZ3 LYS 110 2HZ LYS 110 -36.314 21.253 0.200 938 H GLU 111 H GLU 111 -29.416 16.282 1.802 939 HA GLU 111 HA GLU 111 -30.168 14.017 0.218 940 HB2 GLU 111 2HB GLU 111 -27.894 14.783 0.097 941 HB3 GLU 111 3HB GLU 111 -27.697 14.636 1.838 942 HG2 GLU 111 2HG GLU 111 -28.404 12.208 0.276 943 HG3 GLU 111 3HG GLU 111 -26.754 12.823 0.194 944 H THR 112 H THR 112 -30.135 14.777 3.591 945 HA THR 112 HA THR 112 -30.001 12.203 4.694 946 HB THR 112 HB THR 112 -31.620 14.479 5.839 947 HG1 THR 112 HG1 THR 112 -29.799 15.517 6.062 948 HG21 THR 112 3HG2 THR 112 -30.264 12.053 6.986 949 HG22 THR 112 1HG2 THR 112 -31.952 12.539 7.132 950 HG23 THR 112 2HG2 THR 112 -30.698 13.439 7.985 951 H GLN 113 H GLN 113 -32.823 14.158 3.758 952 HA GLN 113 HA GLN 113 -34.746 12.211 4.479 953 HB2 GLN 113 2HB GLN 113 -34.841 14.610 2.659 954 HB3 GLN 113 3HB GLN 113 -36.240 13.576 2.918 955 HG2 GLN 113 2HG GLN 113 -35.542 14.077 5.468 956 HG3 GLN 113 3HG GLN 113 -34.995 15.562 4.692 957 HE21 GLN 113 1HE2 GLN 113 -36.476 17.018 5.245 958 HE22 GLN 113 2HE2 GLN 113 -38.177 16.861 4.985 959 H ALA 114 H ALA 114 -32.693 12.580 1.743 960 HA ALA 114 HA ALA 114 -34.239 11.108 -0.136 961 HB1 ALA 114 1HB ALA 114 -31.262 11.589 -0.069 962 HB2 ALA 114 2HB ALA 114 -32.189 11.011 -1.454 963 HB3 ALA 114 3HB ALA 114 -32.462 12.637 -0.827 964 H LYS 115 H LYS 115 -32.050 10.234 2.421 965 HA LYS 115 HA LYS 115 -32.704 7.430 2.015 966 HB2 LYS 115 2HB LYS 115 -29.851 8.428 2.105 967 HB3 LYS 115 3HB LYS 115 -30.328 6.738 2.206 968 HG2 LYS 115 2HG LYS 115 -31.476 7.129 -0.052 969 HG3 LYS 115 3HG LYS 115 -30.507 8.602 -0.131 970 HD2 LYS 115 2HD LYS 115 -28.476 7.194 0.238 971 HD3 LYS 115 3HD LYS 115 -29.505 5.766 0.102 972 HE2 LYS 115 2HE LYS 115 -29.125 5.845 -2.091 973 HE3 LYS 115 3HE LYS 115 -30.153 7.276 -2.127 974 HZ1 LYS 115 3HZ LYS 115 -27.954 7.599 -3.175 975 HZ2 LYS 115 1HZ LYS 115 -27.221 7.344 -1.672 976 HZ3 LYS 115 2HZ LYS 115 -28.244 8.671 -1.899 977 H ARG 116 H ARG 116 -33.284 6.620 3.912 978 HA ARG 116 HA ARG 116 -31.784 7.223 6.312 979 HB2 ARG 116 2HB ARG 116 -33.298 9.071 6.397 980 HB3 ARG 116 3HB ARG 116 -34.667 8.048 5.981 981 HG2 ARG 116 2HG ARG 116 -33.272 7.209 8.403 982 HG3 ARG 116 3HG ARG 116 -33.973 8.825 8.502 983 HD2 ARG 116 2HD ARG 116 -35.817 7.012 7.249 984 HD3 ARG 116 3HD ARG 116 -35.284 6.362 8.798 985 HE ARG 116 HE ARG 116 -35.997 9.099 9.033 986 HH11 ARG 116 1HH1 ARG 116 -37.349 5.904 8.738 987 HH12 ARG 116 2HH1 ARG 116 -38.823 6.311 9.553 988 HH21 ARG 116 1HH2 ARG 116 -37.933 9.647 10.107 989 HH22 ARG 116 2HH2 ARG 116 -39.154 8.441 10.331 Start of MODEL 9 1 H1 GLN 1 H GLN 1 0.916 -1.825 -5.368 2 HA GLN 1 HA GLN 1 1.686 0.359 -5.620 3 HB2 GLN 1 2HB GLN 1 -1.319 0.380 -5.664 4 HB3 GLN 1 3HB GLN 1 -0.398 1.840 -6.001 5 HG2 GLN 1 2HG GLN 1 -0.302 1.188 -8.111 6 HG3 GLN 1 3HG GLN 1 0.773 -0.109 -7.593 7 HE21 GLN 1 1HE2 GLN 1 -2.710 0.590 -7.528 8 HE22 GLN 1 2HE2 GLN 1 -3.204 -0.962 -8.103 9 H SER 2 H SER 2 2.178 2.306 -4.657 10 HA SER 2 HA SER 2 0.863 2.988 -2.138 11 HB2 SER 2 2HB SER 2 3.040 3.258 -0.991 12 HB3 SER 2 3HB SER 2 2.747 1.585 -1.464 13 HG SER 2 HG SER 2 4.332 3.454 -2.899 14 H LEU 3 H LEU 3 0.434 4.356 -4.403 15 HA LEU 3 HA LEU 3 1.251 6.976 -3.749 16 HB2 LEU 3 2HB LEU 3 2.491 7.407 -5.912 17 HB3 LEU 3 3HB LEU 3 3.361 6.523 -4.660 18 HG LEU 3 HG LEU 3 2.014 4.734 -6.504 19 HD11 LEU 3 1HD1 LEU 3 4.272 6.186 -7.786 20 HD12 LEU 3 2HD1 LEU 3 2.656 6.885 -7.876 21 HD13 LEU 3 3HD1 LEU 3 2.954 5.270 -8.517 22 HD21 LEU 3 3HD2 LEU 3 4.765 5.142 -5.398 23 HD22 LEU 3 1HD2 LEU 3 4.485 3.996 -6.709 24 HD23 LEU 3 2HD2 LEU 3 3.655 3.790 -5.167 25 H ASN 4 H ASN 4 0.136 8.551 -4.926 26 HA ASN 4 HA ASN 4 -2.282 7.661 -6.139 27 HB2 ASN 4 2HB ASN 4 -1.072 10.256 -5.400 28 HB3 ASN 4 3HB ASN 4 -2.218 10.307 -6.736 29 HD21 ASN 4 1HD2 ASN 4 -1.820 10.162 -3.385 30 HD22 ASN 4 2HD2 ASN 4 -3.480 9.955 -2.950 31 HA PRO 5 HA PRO 5 -1.278 7.529 -10.408 32 HB2 PRO 5 2HB PRO 5 -3.495 8.596 -11.554 33 HB3 PRO 5 3HB PRO 5 -3.477 6.994 -10.807 34 HG2 PRO 5 2HG PRO 5 -4.448 9.595 -9.687 35 HG3 PRO 5 3HG PRO 5 -5.192 7.988 -9.592 36 HD2 PRO 5 2HD PRO 5 -3.780 9.064 -7.547 37 HD3 PRO 5 3HD PRO 5 -3.820 7.317 -7.865 38 H ALA 6 H ALA 6 -2.291 10.621 -9.094 39 HA ALA 6 HA ALA 6 -1.815 12.779 -9.657 40 HB1 ALA 6 1HB ALA 6 0.427 13.258 -9.898 41 HB2 ALA 6 2HB ALA 6 0.481 11.643 -9.189 42 HB3 ALA 6 3HB ALA 6 0.726 11.853 -10.923 43 H LEU 7 H LEU 7 -3.273 11.192 -11.623 44 HA LEU 7 HA LEU 7 -2.372 12.417 -14.139 45 HB2 LEU 7 2HB LEU 7 -4.122 10.059 -13.524 46 HB3 LEU 7 3HB LEU 7 -4.127 10.819 -15.114 47 HG LEU 7 HG LEU 7 -1.611 9.753 -13.860 48 HD11 LEU 7 1HD1 LEU 7 -2.040 7.787 -15.440 49 HD12 LEU 7 2HD1 LEU 7 -3.726 8.305 -15.417 50 HD13 LEU 7 3HD1 LEU 7 -2.930 7.828 -13.918 51 HD21 LEU 7 3HD2 LEU 7 -0.731 9.842 -16.048 52 HD22 LEU 7 1HD2 LEU 7 -1.566 11.376 -15.802 53 HD23 LEU 7 2HD2 LEU 7 -2.323 10.104 -16.761 54 H GLN 8 H GLN 8 -4.907 12.400 -11.783 55 HA GLN 8 HA GLN 8 -6.118 14.707 -13.032 56 HB2 GLN 8 2HB GLN 8 -7.502 12.053 -12.869 57 HB3 GLN 8 3HB GLN 8 -8.437 13.537 -12.738 58 HG2 GLN 8 2HG GLN 8 -8.582 13.366 -14.960 59 HG3 GLN 8 3HG GLN 8 -6.965 14.068 -14.939 60 HE21 GLN 8 1HE2 GLN 8 -6.227 13.103 -16.773 61 HE22 GLN 8 2HE2 GLN 8 -5.975 11.401 -16.925 62 H GLU 9 H GLU 9 -4.778 14.796 -10.748 63 HA GLU 9 HA GLU 9 -6.789 14.684 -8.603 64 HB2 GLU 9 2HB GLU 9 -4.864 14.780 -7.046 65 HB3 GLU 9 3HB GLU 9 -4.824 13.371 -8.096 66 HG2 GLU 9 2HG GLU 9 -3.143 14.380 -9.480 67 HG3 GLU 9 3HG GLU 9 -3.260 15.894 -8.585 68 H LYS 10 H LYS 10 -6.478 16.795 -10.660 69 HA LYS 10 HA LYS 10 -5.235 19.091 -9.765 70 HB2 LYS 10 2HB LYS 10 -7.650 18.573 -11.447 71 HB3 LYS 10 3HB LYS 10 -7.313 20.224 -10.942 72 HG2 LYS 10 2HG LYS 10 -5.827 20.438 -12.563 73 HG3 LYS 10 3HG LYS 10 -4.906 19.071 -11.931 74 HD2 LYS 10 2HD LYS 10 -6.740 17.652 -13.135 75 HD3 LYS 10 3HD LYS 10 -6.998 19.130 -14.065 76 HE2 LYS 10 2HE LYS 10 -4.295 17.850 -13.718 77 HE3 LYS 10 3HE LYS 10 -5.377 17.465 -15.055 78 HZ1 LYS 10 3HZ LYS 10 -4.618 19.233 -16.118 79 HZ2 LYS 10 1HZ LYS 10 -3.604 19.621 -14.821 80 HZ3 LYS 10 2HZ LYS 10 -5.175 20.245 -14.882 81 H ILE 11 H ILE 11 -5.360 19.891 -7.767 82 HA ILE 11 HA ILE 11 -7.954 19.920 -6.397 83 HB ILE 11 HB ILE 11 -6.088 18.920 -5.158 84 HG12 ILE 11 2HG1 ILE 11 -6.269 20.373 -3.099 85 HG13 ILE 11 3HG1 ILE 11 -7.147 21.539 -4.084 86 HG21 ILE 11 1HG2 ILE 11 -4.565 20.903 -6.281 87 HG22 ILE 11 2HG2 ILE 11 -4.707 21.428 -4.604 88 HG23 ILE 11 3HG2 ILE 11 -4.055 19.833 -4.975 89 HD11 ILE 11 3HD1 ILE 11 -8.255 19.506 -2.631 90 HD12 ILE 11 1HD1 ILE 11 -9.039 20.380 -3.947 91 HD13 ILE 11 2HD1 ILE 11 -8.229 18.846 -4.266 92 H SER 12 H SER 12 -9.045 21.752 -6.074 93 HA SER 12 HA SER 12 -9.607 23.957 -6.042 94 HB2 SER 12 2HB SER 12 -7.684 24.060 -4.416 95 HB3 SER 12 3HB SER 12 -6.648 24.525 -5.765 96 HG SER 12 HG SER 12 -7.889 26.375 -6.037 97 H THR 13 H THR 13 -10.356 24.725 -7.895 98 HA THR 13 HA THR 13 -8.521 25.030 -10.169 99 HB THR 13 HB THR 13 -11.541 24.928 -10.094 100 HG1 THR 13 HG1 THR 13 -9.535 23.132 -11.024 101 HG21 THR 13 3HG2 THR 13 -11.471 26.062 -12.021 102 HG22 THR 13 1HG2 THR 13 -10.708 24.635 -12.722 103 HG23 THR 13 2HG2 THR 13 -9.713 25.954 -12.105 104 H GLU 14 H GLU 14 -11.501 26.724 -9.201 105 HA GLU 14 HA GLU 14 -10.424 29.227 -10.155 106 HB2 GLU 14 2HB GLU 14 -13.064 28.276 -9.150 107 HB3 GLU 14 3HB GLU 14 -12.721 29.998 -9.060 108 HG2 GLU 14 2HG GLU 14 -11.978 29.482 -11.602 109 HG3 GLU 14 3HG GLU 14 -13.265 28.296 -11.389 110 H LEU 15 H LEU 15 -10.219 27.524 -7.296 111 HA LEU 15 HA LEU 15 -9.191 28.080 -5.324 112 HB2 LEU 15 2HB LEU 15 -8.304 30.044 -6.898 113 HB3 LEU 15 3HB LEU 15 -9.320 30.999 -5.820 114 HG LEU 15 HG LEU 15 -7.648 29.262 -4.270 115 HD11 LEU 15 1HD1 LEU 15 -6.194 31.028 -6.233 116 HD12 LEU 15 2HD1 LEU 15 -6.157 29.266 -6.198 117 HD13 LEU 15 3HD1 LEU 15 -5.469 30.188 -4.862 118 HD21 LEU 15 3HD2 LEU 15 -6.989 31.346 -3.236 119 HD22 LEU 15 1HD2 LEU 15 -8.728 31.351 -3.529 120 HD23 LEU 15 2HD2 LEU 15 -7.653 32.262 -4.590 121 H ASN 16 H ASN 16 -12.129 29.244 -6.456 122 HA ASN 16 HA ASN 16 -12.964 30.277 -3.848 123 HB2 ASN 16 2HB ASN 16 -13.597 30.999 -6.485 124 HB3 ASN 16 3HB ASN 16 -15.053 30.241 -5.848 125 HD21 ASN 16 1HD2 ASN 16 -14.324 33.064 -6.513 126 HD22 ASN 16 2HD2 ASN 16 -14.720 33.963 -5.092 127 H ASN 17 H ASN 17 -13.898 27.828 -6.246 128 HA ASN 17 HA ASN 17 -15.886 26.671 -4.525 129 HB2 ASN 17 2HB ASN 17 -14.705 25.312 -6.936 130 HB3 ASN 17 3HB ASN 17 -16.336 25.176 -6.285 131 HD21 ASN 17 1HD2 ASN 17 -15.415 25.833 -8.982 132 HD22 ASN 17 2HD2 ASN 17 -16.118 27.366 -9.360 133 H LYS 18 H LYS 18 -12.507 26.348 -4.924 134 HA LYS 18 HA LYS 18 -11.993 23.712 -4.292 135 HB2 LYS 18 2HB LYS 18 -9.837 24.435 -3.501 136 HB3 LYS 18 3HB LYS 18 -10.284 25.425 -4.885 137 HG2 LYS 18 2HG LYS 18 -9.612 27.104 -3.556 138 HG3 LYS 18 3HG LYS 18 -11.241 26.956 -2.892 139 HD2 LYS 18 2HD LYS 18 -9.707 27.022 -1.060 140 HD3 LYS 18 3HD LYS 18 -10.316 25.371 -1.192 141 HE2 LYS 18 2HE LYS 18 -8.194 24.698 -1.216 142 HE3 LYS 18 3HE LYS 18 -8.066 25.417 -2.820 143 HZ1 LYS 18 3HZ LYS 18 -7.035 26.364 -0.280 144 HZ2 LYS 18 1HZ LYS 18 -7.697 27.557 -1.281 145 HZ3 LYS 18 2HZ LYS 18 -6.432 26.586 -1.845 146 H GLN 19 H GLN 19 -12.944 26.348 -2.174 147 HA GLN 19 HA GLN 19 -12.430 25.077 0.285 148 HB2 GLN 19 2HB GLN 19 -14.122 27.366 -0.605 149 HB3 GLN 19 3HB GLN 19 -14.406 26.699 0.997 150 HG2 GLN 19 2HG GLN 19 -12.615 27.705 1.828 151 HG3 GLN 19 3HG GLN 19 -11.591 27.120 0.518 152 HE21 GLN 19 1HE2 GLN 19 -14.163 29.499 1.082 153 HE22 GLN 19 2HE2 GLN 19 -13.446 30.753 0.136 154 H TYR 20 H TYR 20 -15.370 25.250 -1.698 155 HA TYR 20 HA TYR 20 -16.942 23.674 0.077 156 HB2 TYR 20 2HB TYR 20 -17.323 24.354 -2.845 157 HB3 TYR 20 3HB TYR 20 -18.524 23.538 -1.850 158 HD1 TYR 20 HD2 TYR 20 -16.631 26.702 -2.233 159 HD2 TYR 20 HD1 TYR 20 -19.973 24.765 -0.449 160 HE1 TYR 20 HE2 TYR 20 -17.500 28.885 -1.505 161 HE2 TYR 20 HE1 TYR 20 -20.852 26.942 0.283 162 HH TYR 20 HH TYR 20 -18.995 29.805 0.170 163 H GLU 21 H GLU 21 -15.229 22.969 -2.953 164 HA GLU 21 HA GLU 21 -15.979 20.274 -3.160 165 HB2 GLU 21 2HB GLU 21 -13.861 21.991 -4.320 166 HB3 GLU 21 3HB GLU 21 -13.569 20.258 -4.366 167 HG2 GLU 21 2HG GLU 21 -14.788 20.178 -6.207 168 HG3 GLU 21 3HG GLU 21 -16.198 20.563 -5.223 169 H LEU 22 H LEU 22 -13.130 21.779 -1.669 170 HA LEU 22 HA LEU 22 -11.955 19.332 -0.836 171 HB2 LEU 22 2HB LEU 22 -10.607 21.308 -1.095 172 HB3 LEU 22 3HB LEU 22 -11.563 22.165 0.112 173 HG LEU 22 HG LEU 22 -10.433 19.776 1.250 174 HD11 LEU 22 1HD1 LEU 22 -8.052 20.744 1.180 175 HD12 LEU 22 2HD1 LEU 22 -8.591 21.576 -0.278 176 HD13 LEU 22 3HD1 LEU 22 -8.622 19.814 -0.206 177 HD21 LEU 22 3HD2 LEU 22 -9.485 21.446 2.824 178 HD22 LEU 22 1HD2 LEU 22 -11.222 21.619 2.574 179 HD23 LEU 22 2HD2 LEU 22 -10.102 22.726 1.779 180 H PHE 23 H PHE 23 -14.261 21.540 0.596 181 HA PHE 23 HA PHE 23 -14.145 20.691 3.254 182 HB2 PHE 23 2HB PHE 23 -15.377 22.681 2.629 183 HB3 PHE 23 3HB PHE 23 -16.490 21.729 1.652 184 HD1 PHE 23 HD2 PHE 23 -15.333 22.268 5.133 185 HD2 PHE 23 HD1 PHE 23 -18.427 20.832 2.587 186 HE1 PHE 23 HE2 PHE 23 -16.811 22.006 7.083 187 HE2 PHE 23 HE1 PHE 23 -19.910 20.569 4.532 188 HZ PHE 23 HZ PHE 23 -19.102 21.155 6.784 189 H MET 24 H MET 24 -16.123 19.493 0.560 190 HA MET 24 HA MET 24 -17.281 17.403 2.176 191 HB2 MET 24 2HB MET 24 -17.504 18.230 -0.697 192 HB3 MET 24 3HB MET 24 -18.110 16.660 -0.185 193 HG2 MET 24 2HG MET 24 -18.944 19.242 1.104 194 HG3 MET 24 3HG MET 24 -19.792 18.522 -0.263 195 HE1 MET 24 3HE MET 24 -22.271 18.132 2.262 196 HE2 MET 24 1HE MET 24 -21.080 18.550 3.495 197 HE3 MET 24 2HE MET 24 -21.105 19.422 1.962 198 H LYS 25 H LYS 25 -14.673 17.743 -0.126 199 HA LYS 25 HA LYS 25 -14.246 15.001 -0.649 200 HB2 LYS 25 2HB LYS 25 -13.306 16.789 -2.048 201 HB3 LYS 25 3HB LYS 25 -12.277 17.296 -0.715 202 HG2 LYS 25 2HG LYS 25 -11.417 14.836 -0.816 203 HG3 LYS 25 3HG LYS 25 -12.076 14.883 -2.452 204 HD2 LYS 25 2HD LYS 25 -9.780 15.505 -2.595 205 HD3 LYS 25 3HD LYS 25 -10.735 16.971 -2.831 206 HE2 LYS 25 2HE LYS 25 -10.144 17.844 -0.784 207 HE3 LYS 25 3HE LYS 25 -9.821 16.260 -0.082 208 HZ1 LYS 25 3HZ LYS 25 -8.029 16.639 -2.185 209 HZ2 LYS 25 1HZ LYS 25 -7.689 16.556 -0.530 210 HZ3 LYS 25 2HZ LYS 25 -8.006 18.051 -1.254 211 H SER 26 H SER 26 -12.810 17.219 1.722 212 HA SER 26 HA SER 26 -11.061 15.297 2.859 213 HB2 SER 26 2HB SER 26 -12.030 18.015 3.642 214 HB3 SER 26 3HB SER 26 -11.215 17.026 4.853 215 HG SER 26 HG SER 26 -9.378 17.175 3.768 216 H LEU 27 H LEU 27 -14.327 16.376 3.641 217 HA LEU 27 HA LEU 27 -14.588 14.996 6.084 218 HB2 LEU 27 2HB LEU 27 -16.353 16.368 4.191 219 HB3 LEU 27 3HB LEU 27 -17.131 15.069 5.092 220 HG LEU 27 HG LEU 27 -17.501 17.184 6.198 221 HD11 LEU 27 1HD1 LEU 27 -15.455 15.943 7.955 222 HD12 LEU 27 2HD1 LEU 27 -16.815 14.950 7.431 223 HD13 LEU 27 3HD1 LEU 27 -17.107 16.447 8.316 224 HD21 LEU 27 3HD2 LEU 27 -14.727 17.610 5.523 225 HD22 LEU 27 1HD2 LEU 27 -15.021 17.910 7.236 226 HD23 LEU 27 2HD2 LEU 27 -15.958 18.774 6.016 227 H ILE 28 H ILE 28 -15.587 14.113 2.785 228 HA ILE 28 HA ILE 28 -16.675 11.609 3.409 229 HB ILE 28 HB ILE 28 -15.390 12.571 0.853 230 HG12 ILE 28 2HG1 ILE 28 -17.509 13.686 1.792 231 HG13 ILE 28 3HG1 ILE 28 -17.560 13.122 0.125 232 HG21 ILE 28 1HG2 ILE 28 -16.972 10.068 1.405 233 HG22 ILE 28 2HG2 ILE 28 -16.635 10.689 -0.209 234 HG23 ILE 28 3HG2 ILE 28 -15.308 10.180 0.835 235 HD11 ILE 28 3HD1 ILE 28 -18.470 11.223 2.193 236 HD12 ILE 28 1HD1 ILE 28 -19.489 12.631 1.894 237 HD13 ILE 28 2HD1 ILE 28 -19.095 11.531 0.573 238 H GLU 29 H GLU 29 -13.396 12.487 2.352 239 HA GLU 29 HA GLU 29 -12.379 9.849 2.370 240 HB2 GLU 29 2HB GLU 29 -11.162 12.582 2.347 241 HB3 GLU 29 3HB GLU 29 -10.133 11.190 2.654 242 HG2 GLU 29 2HG GLU 29 -10.260 11.970 0.268 243 HG3 GLU 29 3HG GLU 29 -10.583 10.259 0.541 244 H ASN 30 H ASN 30 -12.637 12.342 4.826 245 HA ASN 30 HA ASN 30 -10.924 11.199 6.743 246 HB2 ASN 30 2HB ASN 30 -13.032 13.270 6.717 247 HB3 ASN 30 3HB ASN 30 -12.741 12.509 8.279 248 HD21 ASN 30 1HD2 ASN 30 -10.497 13.244 5.649 249 HD22 ASN 30 2HD2 ASN 30 -9.477 14.286 6.576 250 H CYS 31 H CYS 31 -14.480 11.059 6.496 251 HA CYS 31 HA CYS 31 -14.778 9.173 8.589 252 HB2 CYS 31 2HB CYS 31 -16.493 10.584 6.730 253 HB3 CYS 31 3HB CYS 31 -17.001 8.908 6.906 254 HG CYS 31 HG CYS 31 -17.492 11.439 8.930 255 H LYS 32 H LYS 32 -14.676 8.866 5.061 256 HA LYS 32 HA LYS 32 -15.185 6.099 4.947 257 HB2 LYS 32 2HB LYS 32 -15.377 7.542 2.985 258 HB3 LYS 32 3HB LYS 32 -13.649 7.862 3.030 259 HG2 LYS 32 2HG LYS 32 -13.964 5.061 2.960 260 HG3 LYS 32 3HG LYS 32 -15.049 5.741 1.745 261 HD2 LYS 32 2HD LYS 32 -12.176 6.595 1.977 262 HD3 LYS 32 3HD LYS 32 -12.663 5.197 1.014 263 HE2 LYS 32 2HE LYS 32 -14.178 7.692 0.563 264 HE3 LYS 32 3HE LYS 32 -12.495 7.698 0.037 265 HZ1 LYS 32 3HZ LYS 32 -14.761 6.293 -1.063 266 HZ2 LYS 32 1HZ LYS 32 -13.377 5.334 -0.895 267 HZ3 LYS 32 2HZ LYS 32 -13.313 6.760 -1.803 268 H LYS 33 H LYS 33 -12.295 7.933 5.584 269 HA LYS 33 HA LYS 33 -10.353 5.989 5.056 270 HB2 LYS 33 2HB LYS 33 -10.509 8.497 6.576 271 HB3 LYS 33 3HB LYS 33 -9.318 7.361 7.194 272 HG2 LYS 33 2HG LYS 33 -8.124 7.347 5.166 273 HG3 LYS 33 3HG LYS 33 -9.441 8.138 4.297 274 HD2 LYS 33 2HD LYS 33 -9.021 10.207 5.319 275 HD3 LYS 33 3HD LYS 33 -8.045 9.476 6.595 276 HE2 LYS 33 2HE LYS 33 -6.247 9.070 5.118 277 HE3 LYS 33 3HE LYS 33 -7.241 9.393 3.699 278 HZ1 LYS 33 3HZ LYS 33 -6.262 11.395 3.825 279 HZ2 LYS 33 1HZ LYS 33 -5.882 11.245 5.467 280 HZ3 LYS 33 2HZ LYS 33 -7.439 11.711 4.998 281 H ARG 34 H ARG 34 -12.732 6.131 7.497 282 HA ARG 34 HA ARG 34 -11.342 4.530 9.436 283 HB2 ARG 34 2HB ARG 34 -13.618 6.125 9.455 284 HB3 ARG 34 3HB ARG 34 -14.245 4.493 9.642 285 HG2 ARG 34 2HG ARG 34 -13.898 4.971 11.823 286 HG3 ARG 34 3HG ARG 34 -12.285 4.370 11.434 287 HD2 ARG 34 2HD ARG 34 -11.936 6.383 12.600 288 HD3 ARG 34 3HD ARG 34 -11.681 6.777 10.901 289 HE ARG 34 HE ARG 34 -13.432 8.228 11.039 290 HH11 ARG 34 1HH1 ARG 34 -13.703 5.917 13.628 291 HH12 ARG 34 2HH1 ARG 34 -15.066 6.698 14.358 292 HH21 ARG 34 1HH2 ARG 34 -15.226 9.267 11.990 293 HH22 ARG 34 2HH2 ARG 34 -15.932 8.603 13.425 294 H ASN 35 H ASN 35 -12.560 3.819 6.468 295 HA ASN 35 HA ASN 35 -12.909 0.995 7.193 296 HB2 ASN 35 2HB ASN 35 -14.688 2.607 5.355 297 HB3 ASN 35 3HB ASN 35 -14.703 0.848 5.433 298 HD21 ASN 35 1HD2 ASN 35 -15.875 -0.125 6.961 299 HD22 ASN 35 2HD2 ASN 35 -16.714 0.689 8.233 300 H MET 36 H MET 36 -12.512 3.262 4.475 301 HA MET 36 HA MET 36 -10.708 1.293 3.229 302 HB2 MET 36 2HB MET 36 -12.773 1.559 1.937 303 HB3 MET 36 3HB MET 36 -12.511 3.296 1.858 304 HG2 MET 36 2HG MET 36 -10.754 3.097 0.369 305 HG3 MET 36 3HG MET 36 -10.450 1.415 0.799 306 HE1 MET 36 3HE MET 36 -10.683 2.796 -2.140 307 HE2 MET 36 1HE MET 36 -12.233 2.566 -2.951 308 HE3 MET 36 2HE MET 36 -12.066 3.800 -1.702 309 HA PRO 37 HA PRO 37 -8.184 5.018 4.210 310 HB2 PRO 37 2HB PRO 37 -5.947 3.603 4.814 311 HB3 PRO 37 3HB PRO 37 -7.230 3.917 5.988 312 HG2 PRO 37 2HG PRO 37 -6.714 1.460 4.358 313 HG3 PRO 37 3HG PRO 37 -7.168 1.594 6.067 314 HD2 PRO 37 2HD PRO 37 -8.959 0.994 4.127 315 HD3 PRO 37 3HD PRO 37 -9.398 1.915 5.579 316 H LEU 38 H LEU 38 -6.830 6.056 2.834 317 HA LEU 38 HA LEU 38 -5.859 4.533 0.506 318 HB2 LEU 38 2HB LEU 38 -6.438 7.485 0.606 319 HB3 LEU 38 3HB LEU 38 -6.081 6.510 -0.818 320 HG LEU 38 HG LEU 38 -8.360 6.842 -0.992 321 HD11 LEU 38 1HD1 LEU 38 -8.677 4.410 0.660 322 HD12 LEU 38 2HD1 LEU 38 -7.511 4.333 -0.661 323 HD13 LEU 38 3HD1 LEU 38 -9.195 4.738 -0.994 324 HD21 LEU 38 3HD2 LEU 38 -9.878 7.109 0.735 325 HD22 LEU 38 1HD2 LEU 38 -8.404 7.796 1.418 326 HD23 LEU 38 2HD2 LEU 38 -8.910 6.168 1.871 327 H GLN 39 H GLN 39 -4.162 6.389 -0.587 328 HA GLN 39 HA GLN 39 -1.863 6.104 1.099 329 HB2 GLN 39 2HB GLN 39 -2.394 6.663 -1.675 330 HB3 GLN 39 3HB GLN 39 -1.231 7.821 -1.043 331 HG2 GLN 39 2HG GLN 39 -1.001 4.822 -1.017 332 HG3 GLN 39 3HG GLN 39 -0.058 5.958 -1.981 333 HE21 GLN 39 1HE2 GLN 39 1.081 7.664 -0.601 334 HE22 GLN 39 2HE2 GLN 39 1.895 7.075 0.803 335 H SER 40 H SER 40 -3.823 8.821 -0.047 336 HA SER 40 HA SER 40 -3.257 10.369 2.270 337 HB2 SER 40 2HB SER 40 -1.534 10.717 -0.068 338 HB3 SER 40 3HB SER 40 -2.308 12.215 0.446 339 HG SER 40 HG SER 40 -0.228 11.619 1.471 340 H ILE 41 H ILE 41 -3.722 11.433 -1.085 341 HA ILE 41 HA ILE 41 -6.453 12.269 -0.359 342 HB ILE 41 HB ILE 41 -4.611 13.783 -2.209 343 HG12 ILE 41 2HG1 ILE 41 -5.275 15.310 0.081 344 HG13 ILE 41 3HG1 ILE 41 -4.723 13.742 0.659 345 HG21 ILE 41 1HG2 ILE 41 -7.064 13.950 -2.623 346 HG22 ILE 41 2HG2 ILE 41 -7.240 14.619 -1.002 347 HG23 ILE 41 3HG2 ILE 41 -6.294 15.483 -2.214 348 HD11 ILE 41 3HD1 ILE 41 -2.750 14.871 0.571 349 HD12 ILE 41 1HD1 ILE 41 -2.775 14.171 -1.048 350 HD13 ILE 41 2HD1 ILE 41 -3.244 15.854 -0.807 351 HA PRO 42 HA PRO 42 -6.955 9.485 -3.927 352 HB2 PRO 42 2HB PRO 42 -9.510 8.814 -3.300 353 HB3 PRO 42 3HB PRO 42 -8.104 8.039 -2.560 354 HG2 PRO 42 2HG PRO 42 -9.844 10.227 -1.489 355 HG3 PRO 42 3HG PRO 42 -9.196 8.803 -0.655 356 HD2 PRO 42 2HD PRO 42 -8.088 11.261 -0.412 357 HD3 PRO 42 3HD PRO 42 -7.128 9.770 -0.341 358 H GLU 43 H GLU 43 -7.167 10.665 -5.739 359 HA GLU 43 HA GLU 43 -9.687 12.128 -6.127 360 HB2 GLU 43 2HB GLU 43 -7.513 13.538 -5.663 361 HB3 GLU 43 3HB GLU 43 -7.167 13.177 -7.348 362 HG2 GLU 43 2HG GLU 43 -9.029 14.350 -8.110 363 HG3 GLU 43 3HG GLU 43 -9.796 14.344 -6.522 364 H ILE 44 H ILE 44 -10.598 11.967 -8.135 365 HA ILE 44 HA ILE 44 -9.110 10.711 -10.299 366 HB ILE 44 HB ILE 44 -11.622 9.498 -9.145 367 HG12 ILE 44 2HG1 ILE 44 -9.914 7.456 -9.343 368 HG13 ILE 44 3HG1 ILE 44 -8.737 8.756 -9.187 369 HG21 ILE 44 1HG2 ILE 44 -10.606 9.495 -11.847 370 HG22 ILE 44 2HG2 ILE 44 -10.675 7.862 -11.185 371 HG23 ILE 44 3HG2 ILE 44 -12.126 8.862 -11.216 372 HD11 ILE 44 3HD1 ILE 44 -8.981 8.525 -6.997 373 HD12 ILE 44 1HD1 ILE 44 -10.559 9.289 -7.190 374 HD13 ILE 44 2HD1 ILE 44 -10.425 7.530 -7.185 375 H GLY 45 H GLY 45 -9.492 11.882 -12.053 376 HA2 GLY 45 2HA GLY 45 -10.919 12.687 -13.769 377 HA3 GLY 45 3HA GLY 45 -12.227 12.781 -12.600 378 H ASN 46 H ASN 46 -12.176 14.513 -11.027 379 HA ASN 46 HA ASN 46 -10.336 16.611 -11.028 380 HB2 ASN 46 2HB ASN 46 -11.908 18.311 -12.211 381 HB3 ASN 46 3HB ASN 46 -10.872 17.283 -13.197 382 HD21 ASN 46 1HD2 ASN 46 -12.135 17.303 -14.998 383 HD22 ASN 46 2HD2 ASN 46 -13.695 16.564 -15.078 384 H ARG 47 H ARG 47 -11.733 15.240 -9.092 385 HA ARG 47 HA ARG 47 -12.868 15.580 -7.150 386 HB2 ARG 47 2HB ARG 47 -13.110 18.497 -7.834 387 HB3 ARG 47 3HB ARG 47 -12.964 17.747 -6.250 388 HG2 ARG 47 2HG ARG 47 -10.630 17.045 -6.967 389 HG3 ARG 47 3HG ARG 47 -10.831 18.164 -8.317 390 HD2 ARG 47 2HD ARG 47 -11.544 19.298 -5.717 391 HD3 ARG 47 3HD ARG 47 -9.853 18.815 -5.845 392 HE ARG 47 HE ARG 47 -9.511 20.486 -7.400 393 HH11 ARG 47 1HH1 ARG 47 -12.909 20.153 -6.718 394 HH12 ARG 47 2HH1 ARG 47 -13.348 21.621 -7.527 395 HH21 ARG 47 1HH2 ARG 47 -10.077 22.420 -8.468 396 HH22 ARG 47 2HH2 ARG 47 -11.736 22.909 -8.523 397 H LYS 48 H LYS 48 -14.807 14.640 -7.257 398 HA LYS 48 HA LYS 48 -17.073 16.248 -8.149 399 HB2 LYS 48 2HB LYS 48 -16.805 13.386 -9.055 400 HB3 LYS 48 3HB LYS 48 -17.979 14.585 -9.582 401 HG2 LYS 48 2HG LYS 48 -15.884 15.873 -10.427 402 HG3 LYS 48 3HG LYS 48 -15.106 14.292 -10.330 403 HD2 LYS 48 2HD LYS 48 -17.544 13.815 -11.592 404 HD3 LYS 48 3HD LYS 48 -16.954 15.320 -12.301 405 HE2 LYS 48 2HE LYS 48 -14.687 13.889 -12.342 406 HE3 LYS 48 3HE LYS 48 -15.858 12.577 -12.464 407 HZ1 LYS 48 3HZ LYS 48 -16.321 13.116 -14.558 408 HZ2 LYS 48 1HZ LYS 48 -14.946 14.102 -14.526 409 HZ3 LYS 48 2HZ LYS 48 -16.470 14.764 -14.207 410 H ILE 49 H ILE 49 -15.783 14.857 -5.677 411 HA ILE 49 HA ILE 49 -17.945 13.142 -4.790 412 HB ILE 49 HB ILE 49 -15.646 14.124 -3.112 413 HG12 ILE 49 2HG1 ILE 49 -14.931 11.604 -3.904 414 HG13 ILE 49 3HG1 ILE 49 -15.666 12.238 -5.372 415 HG21 ILE 49 1HG2 ILE 49 -17.879 12.489 -2.599 416 HG22 ILE 49 2HG2 ILE 49 -16.471 11.429 -2.635 417 HG23 ILE 49 3HG2 ILE 49 -16.505 12.812 -1.542 418 HD11 ILE 49 3HD1 ILE 49 -13.675 13.115 -5.803 419 HD12 ILE 49 1HD1 ILE 49 -14.044 14.295 -4.545 420 HD13 ILE 49 2HD1 ILE 49 -13.110 12.851 -4.153 421 H ASN 50 H ASN 50 -17.477 16.414 -4.943 422 HA ASN 50 HA ASN 50 -18.533 17.193 -2.400 423 HB2 ASN 50 2HB ASN 50 -17.082 18.671 -3.764 424 HB3 ASN 50 3HB ASN 50 -18.363 18.787 -4.967 425 HD21 ASN 50 1HD2 ASN 50 -19.110 20.783 -4.853 426 HD22 ASN 50 2HD2 ASN 50 -19.601 21.597 -3.411 427 H LEU 51 H LEU 51 -20.587 18.154 -2.002 428 HA LEU 51 HA LEU 51 -22.746 16.758 -3.226 429 HB2 LEU 51 2HB LEU 51 -22.952 17.283 -0.931 430 HB3 LEU 51 3HB LEU 51 -22.601 18.986 -1.215 431 HG LEU 51 HG LEU 51 -25.036 17.890 -2.498 432 HD11 LEU 51 1HD1 LEU 51 -26.185 18.488 -0.225 433 HD12 LEU 51 2HD1 LEU 51 -24.620 18.037 0.449 434 HD13 LEU 51 3HD1 LEU 51 -25.538 16.872 -0.505 435 HD21 LEU 51 3HD2 LEU 51 -25.701 20.204 -1.271 436 HD22 LEU 51 1HD2 LEU 51 -25.016 20.106 -2.894 437 HD23 LEU 51 2HD2 LEU 51 -23.971 20.451 -1.515 438 H PHE 52 H PHE 52 -21.165 19.738 -3.860 439 HA PHE 52 HA PHE 52 -23.403 20.752 -5.444 440 HB2 PHE 52 2HB PHE 52 -21.838 22.141 -3.838 441 HB3 PHE 52 3HB PHE 52 -20.778 22.171 -5.243 442 HD1 PHE 52 HD2 PHE 52 -21.533 23.240 -7.338 443 HD2 PHE 52 HD1 PHE 52 -23.812 23.450 -3.748 444 HE1 PHE 52 HE2 PHE 52 -22.816 25.123 -8.266 445 HE2 PHE 52 HE1 PHE 52 -25.099 25.333 -4.672 446 HZ PHE 52 HZ PHE 52 -24.602 26.172 -6.933 447 H TYR 53 H TYR 53 -20.151 19.484 -5.778 448 HA TYR 53 HA TYR 53 -19.889 20.072 -8.556 449 HB2 TYR 53 2HB TYR 53 -18.048 19.536 -6.793 450 HB3 TYR 53 3HB TYR 53 -18.395 17.856 -7.187 451 HD1 TYR 53 HD1 TYR 53 -18.513 17.436 -9.856 452 HD2 TYR 53 HD2 TYR 53 -16.298 20.512 -7.923 453 HE1 TYR 53 HE1 TYR 53 -17.024 17.582 -11.808 454 HE2 TYR 53 HE2 TYR 53 -14.803 20.667 -9.870 455 HH TYR 53 HH TYR 53 -15.242 18.557 -12.696 456 H LEU 54 H LEU 54 -20.678 17.121 -6.739 457 HA LEU 54 HA LEU 54 -21.004 15.440 -8.967 458 HB2 LEU 54 2HB LEU 54 -20.777 14.755 -6.558 459 HB3 LEU 54 3HB LEU 54 -22.465 15.214 -6.344 460 HG LEU 54 HG LEU 54 -22.639 13.486 -8.441 461 HD11 LEU 54 1HD1 LEU 54 -20.567 12.320 -6.594 462 HD12 LEU 54 2HD1 LEU 54 -20.205 12.985 -8.187 463 HD13 LEU 54 3HD1 LEU 54 -21.263 11.582 -8.037 464 HD21 LEU 54 3HD2 LEU 54 -22.889 13.129 -5.477 465 HD22 LEU 54 1HD2 LEU 54 -23.223 11.797 -6.584 466 HD23 LEU 54 2HD2 LEU 54 -24.158 13.289 -6.692 467 H TYR 55 H TYR 55 -23.153 17.714 -7.412 468 HA TYR 55 HA TYR 55 -25.524 16.799 -8.733 469 HB2 TYR 55 2HB TYR 55 -25.497 18.050 -6.555 470 HB3 TYR 55 3HB TYR 55 -25.039 19.494 -7.451 471 HD1 TYR 55 HD2 TYR 55 -27.562 16.813 -8.105 472 HD2 TYR 55 HD1 TYR 55 -26.823 20.958 -7.493 473 HE1 TYR 55 HE2 TYR 55 -29.936 17.294 -8.534 474 HE2 TYR 55 HE1 TYR 55 -29.195 21.450 -7.919 475 HH TYR 55 HH TYR 55 -31.121 20.159 -9.315 476 H MET 56 H MET 56 -23.329 19.559 -9.181 477 HA MET 56 HA MET 56 -24.642 20.725 -11.356 478 HB2 MET 56 2HB MET 56 -22.780 21.740 -9.999 479 HB3 MET 56 3HB MET 56 -21.658 20.722 -10.892 480 HG2 MET 56 2HG MET 56 -23.052 21.922 -12.904 481 HG3 MET 56 3HG MET 56 -22.998 23.191 -11.682 482 HE1 MET 56 3HE MET 56 -20.239 24.934 -12.925 483 HE2 MET 56 1HE MET 56 -21.010 24.191 -14.326 484 HE3 MET 56 2HE MET 56 -21.987 24.697 -12.948 485 H LEU 57 H LEU 57 -22.172 18.199 -11.234 486 HA LEU 57 HA LEU 57 -21.672 17.999 -13.982 487 HB2 LEU 57 2HB LEU 57 -20.301 16.955 -12.219 488 HB3 LEU 57 3HB LEU 57 -21.601 15.804 -11.916 489 HG LEU 57 HG LEU 57 -21.200 15.346 -14.532 490 HD11 LEU 57 1HD1 LEU 57 -19.339 17.062 -14.490 491 HD12 LEU 57 2HD1 LEU 57 -18.931 15.479 -15.150 492 HD13 LEU 57 3HD1 LEU 57 -18.428 15.909 -13.515 493 HD21 LEU 57 3HD2 LEU 57 -19.596 14.158 -12.270 494 HD22 LEU 57 1HD2 LEU 57 -19.867 13.418 -13.848 495 HD23 LEU 57 2HD2 LEU 57 -21.224 13.677 -12.752 496 H VAL 58 H VAL 58 -23.970 16.215 -11.936 497 HA VAL 58 HA VAL 58 -25.046 14.583 -13.939 498 HB VAL 58 HB VAL 58 -26.442 15.654 -11.483 499 HG11 VAL 58 1HG1 VAL 58 -27.475 13.181 -11.966 500 HG12 VAL 58 2HG1 VAL 58 -28.229 14.702 -12.451 501 HG13 VAL 58 3HG1 VAL 58 -27.245 13.797 -13.602 502 HG21 VAL 58 3HG2 VAL 58 -25.542 12.910 -11.364 503 HG22 VAL 58 1HG2 VAL 58 -24.199 14.018 -11.642 504 HG23 VAL 58 2HG2 VAL 58 -25.249 14.239 -10.243 505 H GLN 59 H GLN 59 -26.190 17.718 -12.700 506 HA GLN 59 HA GLN 59 -28.426 17.960 -14.361 507 HB2 GLN 59 2HB GLN 59 -27.864 19.376 -12.350 508 HB3 GLN 59 3HB GLN 59 -26.726 20.248 -13.368 509 HG2 GLN 59 2HG GLN 59 -28.507 21.617 -13.598 510 HG3 GLN 59 3HG GLN 59 -28.872 20.491 -14.904 511 HE21 GLN 59 1HE2 GLN 59 -30.562 19.049 -14.678 512 HE22 GLN 59 2HE2 GLN 59 -31.746 19.192 -13.429 513 H LYS 60 H LYS 60 -25.044 18.719 -14.909 514 HA LYS 60 HA LYS 60 -25.436 20.153 -17.336 515 HB2 LYS 60 2HB LYS 60 -23.342 19.890 -15.677 516 HB3 LYS 60 3HB LYS 60 -22.885 18.701 -16.890 517 HG2 LYS 60 2HG LYS 60 -23.709 21.436 -17.748 518 HG3 LYS 60 3HG LYS 60 -22.088 21.166 -17.105 519 HD2 LYS 60 2HD LYS 60 -22.162 19.146 -18.832 520 HD3 LYS 60 3HD LYS 60 -23.322 20.209 -19.632 521 HE2 LYS 60 2HE LYS 60 -21.738 21.900 -19.935 522 HE3 LYS 60 3HE LYS 60 -20.653 21.226 -18.720 523 HZ1 LYS 60 3HZ LYS 60 -21.211 19.499 -20.978 524 HZ2 LYS 60 1HZ LYS 60 -19.747 19.815 -20.190 525 HZ3 LYS 60 2HZ LYS 60 -20.335 20.898 -21.348 526 H PHE 61 H PHE 61 -24.910 16.774 -16.533 527 HA PHE 61 HA PHE 61 -24.527 15.935 -19.246 528 HB2 PHE 61 2HB PHE 61 -24.270 14.770 -16.675 529 HB3 PHE 61 3HB PHE 61 -25.416 13.782 -17.575 530 HD1 PHE 61 HD1 PHE 61 -22.012 15.237 -17.709 531 HD2 PHE 61 HD2 PHE 61 -24.682 12.280 -19.207 532 HE1 PHE 61 HE1 PHE 61 -20.143 14.149 -18.882 533 HE2 PHE 61 HE2 PHE 61 -22.818 11.187 -20.382 534 HZ PHE 61 HZ PHE 61 -20.544 12.120 -20.219 535 H GLY 62 H GLY 62 -27.211 16.930 -17.524 536 HA2 GLY 62 2HA GLY 62 -29.334 17.151 -18.593 537 HA3 GLY 62 3HA GLY 62 -28.981 15.700 -19.521 538 H GLY 63 H GLY 63 -28.252 15.624 -16.158 539 HA2 GLY 63 2HA GLY 63 -29.503 14.822 -14.344 540 HA3 GLY 63 3HA GLY 63 -30.837 14.490 -15.439 541 H ALA 64 H ALA 64 -29.870 12.729 -13.423 542 HA ALA 64 HA ALA 64 -28.105 10.767 -14.219 543 HB1 ALA 64 1HB ALA 64 -29.560 11.095 -12.034 544 HB2 ALA 64 2HB ALA 64 -30.578 9.892 -12.826 545 HB3 ALA 64 3HB ALA 64 -28.889 9.525 -12.476 546 H ASP 65 H ASP 65 -31.411 11.293 -15.235 547 HA ASP 65 HA ASP 65 -31.888 8.789 -16.428 548 HB2 ASP 65 2HB ASP 65 -33.040 11.535 -16.840 549 HB3 ASP 65 3HB ASP 65 -33.532 10.189 -17.864 550 H GLN 66 H GLN 66 -30.350 11.722 -17.620 551 HA GLN 66 HA GLN 66 -30.176 10.904 -20.332 552 HB2 GLN 66 2HB GLN 66 -29.921 13.268 -19.323 553 HB3 GLN 66 3HB GLN 66 -28.252 12.805 -19.019 554 HG2 GLN 66 2HG GLN 66 -27.677 13.149 -21.132 555 HG3 GLN 66 3HG GLN 66 -29.045 12.214 -21.734 556 HE21 GLN 66 1HE2 GLN 66 -27.774 14.852 -22.486 557 HE22 GLN 66 2HE2 GLN 66 -29.105 15.950 -22.577 558 H VAL 67 H VAL 67 -28.053 10.567 -17.542 559 HA VAL 67 HA VAL 67 -25.806 9.571 -18.948 560 HB VAL 67 HB VAL 67 -26.521 8.977 -16.077 561 HG11 VAL 67 1HG1 VAL 67 -24.660 7.684 -17.087 562 HG12 VAL 67 2HG1 VAL 67 -23.829 9.206 -17.416 563 HG13 VAL 67 3HG1 VAL 67 -24.152 8.718 -15.752 564 HG21 VAL 67 3HG2 VAL 67 -26.401 11.167 -15.689 565 HG22 VAL 67 1HG2 VAL 67 -24.696 11.079 -16.132 566 HG23 VAL 67 2HG2 VAL 67 -25.903 11.497 -17.349 567 H THR 68 H THR 68 -28.620 8.038 -17.492 568 HA THR 68 HA THR 68 -27.627 5.369 -17.996 569 HB THR 68 HB THR 68 -29.032 5.783 -16.027 570 HG1 THR 68 HG1 THR 68 -29.553 3.766 -16.356 571 HG21 THR 68 3HG2 THR 68 -30.452 7.546 -17.043 572 HG22 THR 68 1HG2 THR 68 -31.388 6.290 -16.233 573 HG23 THR 68 2HG2 THR 68 -31.266 6.302 -17.992 574 H ARG 69 H ARG 69 -29.660 7.706 -19.566 575 HA ARG 69 HA ARG 69 -31.151 6.056 -21.251 576 HB2 ARG 69 2HB ARG 69 -30.386 8.887 -21.168 577 HB3 ARG 69 3HB ARG 69 -30.674 8.279 -22.793 578 HG2 ARG 69 2HG ARG 69 -32.648 7.801 -20.594 579 HG3 ARG 69 3HG ARG 69 -32.634 9.312 -21.505 580 HD2 ARG 69 2HD ARG 69 -32.475 7.244 -23.400 581 HD3 ARG 69 3HD ARG 69 -33.708 6.755 -22.239 582 HE ARG 69 HE ARG 69 -34.123 9.441 -22.965 583 HH11 ARG 69 1HH1 ARG 69 -34.360 6.225 -24.278 584 HH12 ARG 69 2HH1 ARG 69 -35.629 6.630 -25.385 585 HH21 ARG 69 1HH2 ARG 69 -35.793 9.986 -24.420 586 HH22 ARG 69 2HH2 ARG 69 -36.442 8.770 -25.466 587 H THR 70 H THR 70 -27.920 7.445 -21.681 588 HA THR 70 HA THR 70 -27.604 5.976 -24.192 589 HB THR 70 HB THR 70 -25.287 7.217 -24.078 590 HG1 THR 70 HG1 THR 70 -25.466 9.178 -22.912 591 HG21 THR 70 3HG2 THR 70 -27.361 9.225 -24.556 592 HG22 THR 70 1HG2 THR 70 -27.665 7.686 -25.361 593 HG23 THR 70 2HG2 THR 70 -26.159 8.554 -25.659 594 H GLN 71 H GLN 71 -27.221 5.327 -21.016 595 HA GLN 71 HA GLN 71 -26.079 3.760 -19.828 596 HB2 GLN 71 2HB GLN 71 -25.279 2.703 -22.544 597 HB3 GLN 71 3HB GLN 71 -25.204 1.824 -21.023 598 HG2 GLN 71 2HG GLN 71 -27.565 1.749 -20.848 599 HG3 GLN 71 3HG GLN 71 -27.764 2.893 -22.174 600 HE21 GLN 71 1HE2 GLN 71 -28.984 1.583 -23.459 601 HE22 GLN 71 2HE2 GLN 71 -28.380 0.146 -24.203 602 H GLN 72 H GLN 72 -24.790 6.108 -19.941 603 HA GLN 72 HA GLN 72 -21.979 5.425 -20.488 604 HB2 GLN 72 2HB GLN 72 -23.523 7.729 -21.126 605 HB3 GLN 72 3HB GLN 72 -22.296 8.210 -19.961 606 HG2 GLN 72 2HG GLN 72 -20.548 7.635 -21.370 607 HG3 GLN 72 3HG GLN 72 -21.562 6.584 -22.358 608 HE21 GLN 72 1HE2 GLN 72 -20.113 9.569 -22.145 609 HE22 GLN 72 2HE2 GLN 72 -20.989 10.385 -23.390 610 H TRP 73 H TRP 73 -24.024 5.314 -18.031 611 HA TRP 73 HA TRP 73 -22.924 6.829 -15.962 612 HB2 TRP 73 2HB TRP 73 -23.969 5.166 -14.445 613 HB3 TRP 73 3HB TRP 73 -25.063 5.710 -15.714 614 HD1 TRP 73 HD1 TRP 73 -25.727 3.929 -17.611 615 HE1 TRP 73 HE1 TRP 73 -25.644 1.356 -17.644 616 HE3 TRP 73 HE3 TRP 73 -22.631 3.166 -13.614 617 HZ2 TRP 73 HZ2 TRP 73 -24.427 -0.721 -16.170 618 HZ3 TRP 73 HZ3 TRP 73 -22.057 0.856 -12.992 619 HH2 TRP 73 HH2 TRP 73 -22.938 -1.046 -14.244 620 H SER 74 H SER 74 -21.981 3.705 -17.274 621 HA SER 74 HA SER 74 -20.176 2.958 -15.251 622 HB2 SER 74 2HB SER 74 -19.119 1.827 -17.518 623 HB3 SER 74 3HB SER 74 -20.426 1.132 -16.559 624 HG SER 74 HG SER 74 -21.697 1.441 -18.190 625 H MET 75 H MET 75 -19.689 4.728 -18.289 626 HA MET 75 HA MET 75 -16.886 5.070 -17.908 627 HB2 MET 75 2HB MET 75 -18.706 5.499 -19.984 628 HB3 MET 75 3HB MET 75 -18.095 7.099 -19.588 629 HG2 MET 75 2HG MET 75 -16.317 6.661 -20.821 630 HG3 MET 75 3HG MET 75 -15.852 5.440 -19.640 631 HE1 MET 75 3HE MET 75 -18.260 2.916 -20.422 632 HE2 MET 75 1HE MET 75 -16.759 2.166 -20.967 633 HE3 MET 75 2HE MET 75 -16.757 3.210 -19.546 634 H VAL 76 H VAL 76 -19.696 7.199 -17.459 635 HA VAL 76 HA VAL 76 -18.302 9.477 -16.620 636 HB VAL 76 HB VAL 76 -21.070 8.601 -15.785 637 HG11 VAL 76 1HG1 VAL 76 -20.684 10.333 -14.350 638 HG12 VAL 76 2HG1 VAL 76 -19.515 11.107 -15.421 639 HG13 VAL 76 3HG1 VAL 76 -21.241 11.240 -15.756 640 HG21 VAL 76 3HG2 VAL 76 -20.125 9.194 -18.334 641 HG22 VAL 76 1HG2 VAL 76 -21.810 9.145 -17.813 642 HG23 VAL 76 2HG2 VAL 76 -20.926 10.671 -17.797 643 H ALA 77 H ALA 77 -19.817 6.903 -14.680 644 HA ALA 77 HA ALA 77 -19.168 7.859 -12.156 645 HB1 ALA 77 1HB ALA 77 -19.231 5.395 -11.497 646 HB2 ALA 77 2HB ALA 77 -20.677 6.068 -12.251 647 HB3 ALA 77 3HB ALA 77 -19.571 5.073 -13.198 648 H GLN 78 H GLN 78 -17.235 5.971 -14.420 649 HA GLN 78 HA GLN 78 -15.110 5.366 -12.671 650 HB2 GLN 78 2HB GLN 78 -15.650 5.176 -15.529 651 HB3 GLN 78 3HB GLN 78 -13.967 5.555 -15.190 652 HG2 GLN 78 2HG GLN 78 -14.889 3.467 -13.449 653 HG3 GLN 78 3HG GLN 78 -15.202 3.052 -15.133 654 HE21 GLN 78 1HE2 GLN 78 -12.589 4.789 -13.475 655 HE22 GLN 78 2HE2 GLN 78 -11.309 3.818 -14.111 656 H ARG 79 H ARG 79 -15.858 8.184 -14.605 657 HA ARG 79 HA ARG 79 -13.370 9.444 -14.613 658 HB2 ARG 79 2HB ARG 79 -15.960 10.077 -15.434 659 HB3 ARG 79 3HB ARG 79 -15.549 11.329 -14.269 660 HG2 ARG 79 2HG ARG 79 -14.831 12.241 -16.259 661 HG3 ARG 79 3HG ARG 79 -13.351 11.524 -15.619 662 HD2 ARG 79 2HD ARG 79 -13.151 10.402 -17.526 663 HD3 ARG 79 3HD ARG 79 -14.591 9.489 -17.076 664 HE ARG 79 HE ARG 79 -15.320 11.945 -18.271 665 HH11 ARG 79 1HH1 ARG 79 -14.020 8.809 -19.042 666 HH12 ARG 79 2HH1 ARG 79 -14.632 8.810 -20.663 667 HH21 ARG 79 1HH2 ARG 79 -16.131 11.958 -20.403 668 HH22 ARG 79 2HH2 ARG 79 -15.831 10.602 -21.436 669 H LEU 80 H LEU 80 -15.969 9.532 -12.209 670 HA LEU 80 HA LEU 80 -14.281 11.135 -10.434 671 HB2 LEU 80 2HB LEU 80 -16.407 11.094 -9.004 672 HB3 LEU 80 3HB LEU 80 -16.413 12.045 -10.488 673 HG LEU 80 HG LEU 80 -17.452 9.268 -10.639 674 HD11 LEU 80 1HD1 LEU 80 -19.577 9.814 -9.734 675 HD12 LEU 80 2HD1 LEU 80 -19.122 11.503 -9.510 676 HD13 LEU 80 3HD1 LEU 80 -18.374 10.250 -8.520 677 HD21 LEU 80 3HD2 LEU 80 -18.649 11.779 -11.753 678 HD22 LEU 80 1HD2 LEU 80 -18.771 10.125 -12.353 679 HD23 LEU 80 2HD2 LEU 80 -17.256 11.014 -12.520 680 H GLN 81 H GLN 81 -14.805 7.951 -11.096 681 HA GLN 81 HA GLN 81 -14.282 6.011 -10.030 682 HB2 GLN 81 2HB GLN 81 -12.268 7.372 -9.363 683 HB3 GLN 81 3HB GLN 81 -13.099 7.741 -7.857 684 HG2 GLN 81 2HG GLN 81 -12.010 5.951 -7.085 685 HG3 GLN 81 3HG GLN 81 -13.289 5.044 -7.892 686 HE21 GLN 81 1HE2 GLN 81 -10.858 3.896 -7.397 687 HE22 GLN 81 2HE2 GLN 81 -10.016 3.647 -8.885 688 H ILE 82 H ILE 82 -16.845 6.776 -9.722 689 HA ILE 82 HA ILE 82 -17.478 6.455 -6.874 690 HB ILE 82 HB ILE 82 -18.567 8.339 -7.997 691 HG12 ILE 82 2HG1 ILE 82 -20.894 6.571 -7.659 692 HG13 ILE 82 3HG1 ILE 82 -19.738 6.508 -6.333 693 HG21 ILE 82 1HG2 ILE 82 -18.649 7.479 -10.256 694 HG22 ILE 82 2HG2 ILE 82 -19.788 6.226 -9.766 695 HG23 ILE 82 3HG2 ILE 82 -20.273 7.921 -9.728 696 HD11 ILE 82 3HD1 ILE 82 -21.763 8.353 -6.684 697 HD12 ILE 82 1HD1 ILE 82 -20.419 8.464 -5.547 698 HD13 ILE 82 2HD1 ILE 82 -20.298 9.227 -7.133 699 H SER 83 H SER 83 -17.808 4.935 -10.001 700 HA SER 83 HA SER 83 -18.900 2.554 -8.667 701 HB2 SER 83 2HB SER 83 -20.571 3.978 -10.102 702 HB3 SER 83 3HB SER 83 -19.749 3.219 -11.465 703 HG SER 83 HG SER 83 -21.701 2.167 -10.345 704 H ASP 84 H ASP 84 -16.599 1.983 -8.686 705 HA ASP 84 HA ASP 84 -15.552 1.242 -11.321 706 HB2 ASP 84 2HB ASP 84 -14.344 1.828 -8.675 707 HB3 ASP 84 3HB ASP 84 -13.538 0.606 -9.655 708 H TYR 85 H TYR 85 -17.503 -0.381 -11.019 709 HA TYR 85 HA TYR 85 -18.036 -2.599 -11.059 710 HB2 TYR 85 2HB TYR 85 -15.385 -2.676 -11.510 711 HB3 TYR 85 3HB TYR 85 -15.435 -3.512 -9.962 712 HD1 TYR 85 HD2 TYR 85 -17.727 -3.562 -12.914 713 HD2 TYR 85 HD1 TYR 85 -15.174 -5.778 -10.331 714 HE1 TYR 85 HE2 TYR 85 -18.377 -5.638 -14.062 715 HE2 TYR 85 HE1 TYR 85 -15.816 -7.860 -11.472 716 HH TYR 85 HH TYR 85 -17.182 -8.013 -14.384 717 H GLN 86 H GLN 86 -16.738 -4.518 -9.127 718 HA GLN 86 HA GLN 86 -18.609 -4.509 -7.116 719 HB2 GLN 86 2HB GLN 86 -17.010 -5.934 -5.835 720 HB3 GLN 86 3HB GLN 86 -17.244 -6.448 -7.501 721 HG2 GLN 86 2HG GLN 86 -15.142 -5.525 -8.154 722 HG3 GLN 86 3HG GLN 86 -14.929 -4.767 -6.577 723 HE21 GLN 86 1HE2 GLN 86 -13.627 -7.022 -8.310 724 HE22 GLN 86 2HE2 GLN 86 -13.286 -8.239 -7.132 725 H GLN 87 H GLN 87 -15.600 -2.734 -7.295 726 HA GLN 87 HA GLN 87 -15.286 -1.994 -4.633 727 HB2 GLN 87 2HB GLN 87 -14.700 -0.242 -7.022 728 HB3 GLN 87 3HB GLN 87 -13.945 -0.157 -5.436 729 HG2 GLN 87 2HG GLN 87 -13.563 -2.783 -6.356 730 HG3 GLN 87 3HG GLN 87 -13.206 -1.715 -7.713 731 HE21 GLN 87 1HE2 GLN 87 -12.027 0.398 -6.726 732 HE22 GLN 87 2HE2 GLN 87 -10.601 0.001 -5.835 733 H LEU 88 H LEU 88 -17.522 -0.846 -7.041 734 HA LEU 88 HA LEU 88 -18.270 1.609 -6.007 735 HB2 LEU 88 2HB LEU 88 -20.172 1.465 -7.315 736 HB3 LEU 88 3HB LEU 88 -19.042 0.391 -8.135 737 HG LEU 88 HG LEU 88 -20.281 -1.418 -6.621 738 HD11 LEU 88 1HD1 LEU 88 -22.807 -0.419 -7.110 739 HD12 LEU 88 2HD1 LEU 88 -21.935 0.959 -6.440 740 HD13 LEU 88 3HD1 LEU 88 -22.021 -0.552 -5.537 741 HD21 LEU 88 3HD2 LEU 88 -21.841 -0.593 -8.995 742 HD22 LEU 88 1HD2 LEU 88 -21.169 -2.166 -8.566 743 HD23 LEU 88 2HD2 LEU 88 -20.124 -0.916 -9.242 744 H GLU 89 H GLU 89 -18.985 -1.595 -4.848 745 HA GLU 89 HA GLU 89 -21.159 -0.914 -3.160 746 HB2 GLU 89 2HB GLU 89 -20.123 -3.253 -3.973 747 HB3 GLU 89 3HB GLU 89 -19.373 -3.155 -2.387 748 HG2 GLU 89 2HG GLU 89 -21.519 -3.008 -1.320 749 HG3 GLU 89 3HG GLU 89 -22.331 -2.925 -2.882 750 H SER 90 H SER 90 -17.666 -1.109 -2.659 751 HA SER 90 HA SER 90 -17.749 -0.619 0.137 752 HB2 SER 90 2HB SER 90 -15.661 -0.767 -1.957 753 HB3 SER 90 3HB SER 90 -15.261 0.203 -0.540 754 HG SER 90 HG SER 90 -16.046 -2.522 -0.603 755 H ILE 91 H ILE 91 -17.255 1.464 -2.685 756 HA ILE 91 HA ILE 91 -16.778 3.843 -1.231 757 HB ILE 91 HB ILE 91 -17.932 3.633 -4.012 758 HG12 ILE 91 2HG1 ILE 91 -15.031 3.696 -3.151 759 HG13 ILE 91 3HG1 ILE 91 -15.873 2.287 -3.785 760 HG21 ILE 91 1HG2 ILE 91 -16.155 5.797 -3.744 761 HG22 ILE 91 2HG2 ILE 91 -17.904 5.851 -3.955 762 HG23 ILE 91 3HG2 ILE 91 -17.212 5.835 -2.333 763 HD11 ILE 91 3HD1 ILE 91 -16.228 4.395 -5.632 764 HD12 ILE 91 1HD1 ILE 91 -14.520 4.337 -5.198 765 HD13 ILE 91 2HD1 ILE 91 -15.319 2.897 -5.831 766 H TYR 92 H TYR 92 -19.711 2.424 -2.618 767 HA TYR 92 HA TYR 92 -21.430 4.581 -2.022 768 HB2 TYR 92 2HB TYR 92 -21.782 1.716 -2.756 769 HB3 TYR 92 3HB TYR 92 -23.162 2.553 -2.055 770 HD1 TYR 92 HD1 TYR 92 -20.537 3.780 -4.404 771 HD2 TYR 92 HD2 TYR 92 -24.657 2.911 -3.795 772 HE1 TYR 92 HE1 TYR 92 -21.060 4.749 -6.603 773 HE2 TYR 92 HE2 TYR 92 -25.192 3.877 -5.993 774 HH TYR 92 HH TYR 92 -22.747 4.711 -8.278 775 H PHE 93 H PHE 93 -20.607 1.630 -0.245 776 HA PHE 93 HA PHE 93 -22.411 2.005 1.886 777 HB2 PHE 93 2HB PHE 93 -20.985 -0.077 1.214 778 HB3 PHE 93 3HB PHE 93 -19.763 0.643 2.259 779 HD1 PHE 93 HD1 PHE 93 -20.174 0.890 4.662 780 HD2 PHE 93 HD2 PHE 93 -22.951 -1.085 2.111 781 HE1 PHE 93 HE1 PHE 93 -21.265 -0.109 6.628 782 HE2 PHE 93 HE2 PHE 93 -24.047 -2.086 4.073 783 HZ PHE 93 HZ PHE 93 -23.205 -1.599 6.335 784 H ARG 94 H ARG 94 -18.960 2.812 1.579 785 HA ARG 94 HA ARG 94 -18.692 3.978 4.128 786 HB2 ARG 94 2HB ARG 94 -17.122 3.994 1.602 787 HB3 ARG 94 3HB ARG 94 -16.768 5.251 2.779 788 HG2 ARG 94 2HG ARG 94 -15.755 3.829 4.181 789 HG3 ARG 94 3HG ARG 94 -16.938 2.551 3.900 790 HD2 ARG 94 2HD ARG 94 -15.756 2.465 1.539 791 HD3 ARG 94 3HD ARG 94 -14.418 3.170 2.445 792 HE ARG 94 HE ARG 94 -14.045 1.113 3.344 793 HH11 ARG 94 1HH1 ARG 94 -17.360 1.265 2.292 794 HH12 ARG 94 2HH1 ARG 94 -17.698 -0.387 2.689 795 HH21 ARG 94 1HH2 ARG 94 -14.477 -1.063 3.870 796 HH22 ARG 94 2HH2 ARG 94 -16.058 -1.710 3.588 797 H ILE 95 H ILE 95 -19.850 5.216 1.079 798 HA ILE 95 HA ILE 95 -19.775 7.976 1.897 799 HB ILE 95 HB ILE 95 -20.951 6.563 -0.483 800 HG12 ILE 95 2HG1 ILE 95 -18.889 8.763 -0.372 801 HG13 ILE 95 3HG1 ILE 95 -18.460 7.060 -0.251 802 HG21 ILE 95 1HG2 ILE 95 -22.536 8.244 -0.179 803 HG22 ILE 95 2HG2 ILE 95 -21.337 9.401 0.398 804 HG23 ILE 95 3HG2 ILE 95 -21.385 8.958 -1.308 805 HD11 ILE 95 3HD1 ILE 95 -18.149 7.804 -2.506 806 HD12 ILE 95 1HD1 ILE 95 -19.511 6.685 -2.453 807 HD13 ILE 95 2HD1 ILE 95 -19.800 8.421 -2.573 808 H LEU 96 H LEU 96 -22.028 5.346 2.068 809 HA LEU 96 HA LEU 96 -24.273 7.086 2.689 810 HB2 LEU 96 2HB LEU 96 -24.114 4.658 1.486 811 HB3 LEU 96 3HB LEU 96 -24.541 4.192 3.131 812 HG LEU 96 HG LEU 96 -26.506 4.383 1.675 813 HD11 LEU 96 1HD1 LEU 96 -27.848 5.364 3.257 814 HD12 LEU 96 2HD1 LEU 96 -26.711 6.674 3.571 815 HD13 LEU 96 3HD1 LEU 96 -26.388 5.058 4.199 816 HD21 LEU 96 3HD2 LEU 96 -25.238 6.534 0.576 817 HD22 LEU 96 1HD2 LEU 96 -26.460 7.307 1.585 818 HD23 LEU 96 2HD2 LEU 96 -26.943 6.139 0.355 819 H LEU 97 H LEU 97 -21.726 5.614 4.334 820 HA LEU 97 HA LEU 97 -22.628 4.682 6.705 821 HB2 LEU 97 2HB LEU 97 -20.216 5.750 5.745 822 HB3 LEU 97 3HB LEU 97 -20.548 6.586 7.260 823 HG LEU 97 HG LEU 97 -20.970 3.819 7.703 824 HD11 LEU 97 1HD1 LEU 97 -18.688 2.981 7.219 825 HD12 LEU 97 2HD1 LEU 97 -18.389 4.443 6.280 826 HD13 LEU 97 3HD1 LEU 97 -19.640 3.310 5.771 827 HD21 LEU 97 3HD2 LEU 97 -18.542 5.329 8.584 828 HD22 LEU 97 1HD2 LEU 97 -19.511 4.150 9.469 829 HD23 LEU 97 2HD2 LEU 97 -20.140 5.774 9.186 830 HA PRO 98 HA PRO 98 -24.932 7.803 8.768 831 HB2 PRO 98 2HB PRO 98 -24.456 7.130 11.355 832 HB3 PRO 98 3HB PRO 98 -25.506 6.183 10.293 833 HG2 PRO 98 2HG PRO 98 -22.650 5.703 11.053 834 HG3 PRO 98 3HG PRO 98 -23.985 4.542 10.929 835 HD2 PRO 98 2HD PRO 98 -22.120 4.830 8.987 836 HD3 PRO 98 3HD PRO 98 -23.803 4.385 8.637 837 H TYR 99 H TYR 99 -21.589 7.294 9.799 838 HA TYR 99 HA TYR 99 -21.359 9.756 11.211 839 HB2 TYR 99 2HB TYR 99 -19.256 7.901 10.082 840 HB3 TYR 99 3HB TYR 99 -18.904 9.288 11.107 841 HD1 TYR 99 HD1 TYR 99 -20.739 9.225 13.252 842 HD2 TYR 99 HD2 TYR 99 -18.975 5.925 11.226 843 HE1 TYR 99 HE1 TYR 99 -21.061 7.832 15.253 844 HE2 TYR 99 HE2 TYR 99 -19.294 4.522 13.222 845 HH TYR 99 HH TYR 99 -20.086 5.793 16.254 846 H GLU 100 H GLU 100 -20.421 8.696 7.958 847 HA GLU 100 HA GLU 100 -19.228 11.145 7.189 848 HB2 GLU 100 2HB GLU 100 -19.123 8.748 6.111 849 HB3 GLU 100 3HB GLU 100 -20.504 9.323 5.188 850 HG2 GLU 100 2HG GLU 100 -17.680 10.285 5.161 851 HG3 GLU 100 3HG GLU 100 -18.718 9.817 3.815 852 H ARG 101 H ARG 101 -22.444 9.766 6.538 853 HA ARG 101 HA ARG 101 -23.437 11.938 5.063 854 HB2 ARG 101 2HB ARG 101 -25.623 10.983 5.410 855 HB3 ARG 101 3HB ARG 101 -24.473 9.678 5.149 856 HG2 ARG 101 2HG ARG 101 -25.604 8.818 6.915 857 HG3 ARG 101 3HG ARG 101 -24.374 9.729 7.793 858 HD2 ARG 101 2HD ARG 101 -25.979 10.877 8.807 859 HD3 ARG 101 3HD ARG 101 -26.488 11.513 7.243 860 HE ARG 101 HE ARG 101 -27.654 9.055 7.379 861 HH11 ARG 101 1HH1 ARG 101 -27.650 11.881 9.413 862 HH12 ARG 101 2HH1 ARG 101 -29.244 11.600 10.029 863 HH21 ARG 101 1HH2 ARG 101 -29.755 8.674 8.184 864 HH22 ARG 101 2HH2 ARG 101 -30.440 9.775 9.330 865 H HIS 102 H HIS 102 -23.353 11.290 8.519 866 HA HIS 102 HA HIS 102 -25.070 13.402 9.303 867 HB2 HIS 102 2HB HIS 102 -24.616 11.575 10.823 868 HB3 HIS 102 3HB HIS 102 -22.895 11.948 10.820 869 HD1 HIS 102 HD1 HIS 102 -22.082 13.646 12.485 870 HD2 HIS 102 HD2 HIS 102 -26.226 13.525 12.212 871 HE1 HIS 102 HE1 HIS 102 -22.922 15.091 14.363 872 H MET 103 H MET 103 -21.535 13.147 9.071 873 HA MET 103 HA MET 103 -20.910 15.694 10.039 874 HB2 MET 103 2HB MET 103 -19.514 13.749 8.240 875 HB3 MET 103 3HB MET 103 -18.843 15.360 8.461 876 HG2 MET 103 2HG MET 103 -19.501 13.529 10.749 877 HG3 MET 103 3HG MET 103 -17.927 13.562 9.957 878 HE1 MET 103 3HE MET 103 -19.687 15.612 13.185 879 HE2 MET 103 1HE MET 103 -19.259 13.955 12.760 880 HE3 MET 103 2HE MET 103 -18.076 14.994 13.555 881 H ILE 104 H ILE 104 -21.566 14.590 6.733 882 HA ILE 104 HA ILE 104 -21.175 17.178 5.576 883 HB ILE 104 HB ILE 104 -22.001 16.221 3.518 884 HG12 ILE 104 2HG1 ILE 104 -22.774 13.818 5.189 885 HG13 ILE 104 3HG1 ILE 104 -23.893 14.958 4.450 886 HG21 ILE 104 1HG2 ILE 104 -19.714 15.693 4.135 887 HG22 ILE 104 2HG2 ILE 104 -20.262 14.275 5.028 888 HG23 ILE 104 3HG2 ILE 104 -20.443 14.338 3.275 889 HD11 ILE 104 3HD1 ILE 104 -22.383 14.134 2.320 890 HD12 ILE 104 1HD1 ILE 104 -22.516 12.673 3.298 891 HD13 ILE 104 2HD1 ILE 104 -23.973 13.513 2.764 892 H SER 105 H SER 105 -23.859 15.450 6.952 893 HA SER 105 HA SER 105 -26.010 16.787 5.799 894 HB2 SER 105 2HB SER 105 -25.553 15.247 8.281 895 HB3 SER 105 3HB SER 105 -26.927 16.352 8.320 896 HG SER 105 HG SER 105 -27.663 15.338 6.383 897 H GLN 106 H GLN 106 -23.831 17.770 8.356 898 HA GLN 106 HA GLN 106 -25.255 19.875 9.473 899 HB2 GLN 106 2HB GLN 106 -22.523 18.957 9.448 900 HB3 GLN 106 3HB GLN 106 -22.573 20.713 9.365 901 HG2 GLN 106 2HG GLN 106 -23.594 20.915 11.423 902 HG3 GLN 106 3HG GLN 106 -24.225 19.270 11.387 903 HE21 GLN 106 1HE2 GLN 106 -22.530 17.540 11.418 904 HE22 GLN 106 2HE2 GLN 106 -21.176 17.784 12.463 905 H GLU 107 H GLU 107 -23.335 19.760 6.523 906 HA GLU 107 HA GLU 107 -24.159 22.527 5.940 907 HB2 GLU 107 2HB GLU 107 -21.654 21.879 6.082 908 HB3 GLU 107 3HB GLU 107 -21.922 21.105 4.527 909 HG2 GLU 107 2HG GLU 107 -21.108 23.205 3.975 910 HG3 GLU 107 3HG GLU 107 -22.852 23.362 3.771 911 H GLY 108 H GLY 108 -25.592 19.911 5.489 912 HA2 GLY 108 2HA GLY 108 -26.679 20.542 2.947 913 HA3 GLY 108 3HA GLY 108 -25.603 19.159 2.813 914 H ILE 109 H ILE 109 -27.965 20.177 5.280 915 HA ILE 109 HA ILE 109 -28.821 17.611 5.934 916 HB ILE 109 HB ILE 109 -30.920 18.756 6.770 917 HG12 ILE 109 2HG1 ILE 109 -29.448 21.282 6.016 918 HG13 ILE 109 3HG1 ILE 109 -30.753 20.609 5.045 919 HG21 ILE 109 1HG2 ILE 109 -28.802 18.387 8.076 920 HG22 ILE 109 2HG2 ILE 109 -28.367 20.052 7.694 921 HG23 ILE 109 3HG2 ILE 109 -29.816 19.715 8.640 922 HD11 ILE 109 3HD1 ILE 109 -31.214 21.137 7.938 923 HD12 ILE 109 1HD1 ILE 109 -31.226 22.478 6.793 924 HD13 ILE 109 2HD1 ILE 109 -32.356 21.138 6.594 925 H LYS 110 H LYS 110 -29.631 19.611 3.237 926 HA LYS 110 HA LYS 110 -32.126 18.597 2.518 927 HB2 LYS 110 2HB LYS 110 -29.881 19.520 0.714 928 HB3 LYS 110 3HB LYS 110 -31.557 19.313 0.223 929 HG2 LYS 110 2HG LYS 110 -30.545 21.265 2.282 930 HG3 LYS 110 3HG LYS 110 -31.043 21.651 0.633 931 HD2 LYS 110 2HD LYS 110 -33.291 20.583 1.285 932 HD3 LYS 110 3HD LYS 110 -32.727 20.753 2.949 933 HE2 LYS 110 2HE LYS 110 -33.105 22.957 2.958 934 HE3 LYS 110 3HE LYS 110 -32.367 23.175 1.372 935 HZ1 LYS 110 3HZ LYS 110 -34.453 23.625 0.744 936 HZ2 LYS 110 1HZ LYS 110 -35.150 22.863 2.085 937 HZ3 LYS 110 2HZ LYS 110 -34.668 21.947 0.747 938 H GLU 111 H GLU 111 -28.976 17.176 2.316 939 HA GLU 111 HA GLU 111 -29.650 15.182 0.373 940 HB2 GLU 111 2HB GLU 111 -27.299 16.125 1.446 941 HB3 GLU 111 3HB GLU 111 -27.448 14.544 2.198 942 HG2 GLU 111 2HG GLU 111 -27.970 13.813 -0.288 943 HG3 GLU 111 3HG GLU 111 -27.033 15.263 -0.646 944 H THR 112 H THR 112 -29.966 15.504 3.803 945 HA THR 112 HA THR 112 -30.149 12.762 4.481 946 HB THR 112 HB THR 112 -31.583 14.961 5.957 947 HG1 THR 112 HG1 THR 112 -29.635 15.460 6.946 948 HG21 THR 112 3HG2 THR 112 -31.247 12.228 6.424 949 HG22 THR 112 1HG2 THR 112 -31.832 13.436 7.567 950 HG23 THR 112 2HG2 THR 112 -30.118 13.024 7.520 951 H GLN 113 H GLN 113 -32.643 15.211 3.808 952 HA GLN 113 HA GLN 113 -34.861 13.530 4.152 953 HB2 GLN 113 2HB GLN 113 -34.369 16.207 3.275 954 HB3 GLN 113 3HB GLN 113 -35.477 15.439 2.145 955 HG2 GLN 113 2HG GLN 113 -37.150 15.312 3.653 956 HG3 GLN 113 3HG GLN 113 -36.056 15.059 5.012 957 HE21 GLN 113 1HE2 GLN 113 -38.069 17.229 3.464 958 HE22 GLN 113 2HE2 GLN 113 -37.569 18.674 4.267 959 H ALA 114 H ALA 114 -32.577 13.783 1.592 960 HA ALA 114 HA ALA 114 -34.104 12.829 -0.563 961 HB1 ALA 114 1HB ALA 114 -32.199 13.184 -1.640 962 HB2 ALA 114 2HB ALA 114 -31.412 13.512 -0.096 963 HB3 ALA 114 3HB ALA 114 -31.416 11.876 -0.754 964 H LYS 115 H LYS 115 -32.739 11.223 2.184 965 HA LYS 115 HA LYS 115 -33.051 8.581 1.002 966 HB2 LYS 115 2HB LYS 115 -31.161 9.366 2.619 967 HB3 LYS 115 3HB LYS 115 -32.356 9.081 3.877 968 HG2 LYS 115 2HG LYS 115 -32.587 6.755 3.086 969 HG3 LYS 115 3HG LYS 115 -31.309 7.060 1.906 970 HD2 LYS 115 2HD LYS 115 -29.666 7.126 3.501 971 HD3 LYS 115 3HD LYS 115 -30.765 7.686 4.764 972 HE2 LYS 115 2HE LYS 115 -31.230 4.975 3.659 973 HE3 LYS 115 3HE LYS 115 -29.808 5.196 4.677 974 HZ1 LYS 115 3HZ LYS 115 -32.446 6.162 5.569 975 HZ2 LYS 115 1HZ LYS 115 -31.093 5.750 6.498 976 HZ3 LYS 115 2HZ LYS 115 -32.020 4.537 5.768 977 H ARG 116 H ARG 116 -34.453 6.988 1.817 978 HA ARG 116 HA ARG 116 -37.023 7.897 2.534 979 HB2 ARG 116 2HB ARG 116 -36.677 5.818 1.301 980 HB3 ARG 116 3HB ARG 116 -35.842 5.118 2.682 981 HG2 ARG 116 2HG ARG 116 -38.480 6.090 3.384 982 HG3 ARG 116 3HG ARG 116 -38.527 4.889 2.092 983 HD2 ARG 116 2HD ARG 116 -36.940 3.528 3.594 984 HD3 ARG 116 3HD ARG 116 -37.452 4.621 4.879 985 HE ARG 116 HE ARG 116 -39.748 3.640 3.650 986 HH11 ARG 116 1HH1 ARG 116 -37.065 2.436 5.514 987 HH12 ARG 116 2HH1 ARG 116 -37.966 1.130 6.210 988 HH21 ARG 116 1HH2 ARG 116 -40.944 1.925 4.560 989 HH22 ARG 116 2HH2 ARG 116 -40.172 0.840 5.666 Start of MODEL 10 1 H1 GLN 1 H GLN 1 -3.541 -1.214 -5.127 2 HA GLN 1 HA GLN 1 -0.691 -1.361 -4.850 3 HB2 GLN 1 2HB GLN 1 -2.621 0.271 -6.312 4 HB3 GLN 1 3HB GLN 1 -1.261 1.206 -5.703 5 HG2 GLN 1 2HG GLN 1 -0.144 0.552 -7.498 6 HG3 GLN 1 3HG GLN 1 -0.092 -1.057 -6.782 7 HE21 GLN 1 1HE2 GLN 1 -2.215 -2.309 -7.153 8 HE22 GLN 1 2HE2 GLN 1 -2.816 -2.280 -8.773 9 H SER 2 H SER 2 0.578 0.511 -4.004 10 HA SER 2 HA SER 2 -0.663 1.562 -1.545 11 HB2 SER 2 2HB SER 2 2.282 0.999 -1.917 12 HB3 SER 2 3HB SER 2 1.435 1.363 -0.414 13 HG SER 2 HG SER 2 0.233 -0.642 -0.854 14 H LEU 3 H LEU 3 -0.961 2.998 -3.848 15 HA LEU 3 HA LEU 3 0.073 5.509 -3.154 16 HB2 LEU 3 2HB LEU 3 1.502 5.845 -5.206 17 HB3 LEU 3 3HB LEU 3 2.193 4.856 -3.921 18 HG LEU 3 HG LEU 3 0.901 3.090 -5.704 19 HD11 LEU 3 1HD1 LEU 3 2.204 5.387 -7.041 20 HD12 LEU 3 2HD1 LEU 3 0.893 4.344 -7.592 21 HD13 LEU 3 3HD1 LEU 3 2.561 3.778 -7.669 22 HD21 LEU 3 3HD2 LEU 3 3.607 3.661 -4.692 23 HD22 LEU 3 1HD2 LEU 3 3.530 2.761 -6.206 24 HD23 LEU 3 2HD2 LEU 3 2.717 2.140 -4.769 25 H ASN 4 H ASN 4 -0.828 7.179 -4.374 26 HA ASN 4 HA ASN 4 -3.198 6.481 -5.810 27 HB2 ASN 4 2HB ASN 4 -1.868 9.036 -5.004 28 HB3 ASN 4 3HB ASN 4 -3.123 9.084 -6.239 29 HD21 ASN 4 1HD2 ASN 4 -4.995 7.423 -5.487 30 HD22 ASN 4 2HD2 ASN 4 -5.624 7.809 -3.924 31 HA PRO 5 HA PRO 5 -1.822 6.491 -9.976 32 HB2 PRO 5 2HB PRO 5 -3.868 7.735 -11.255 33 HB3 PRO 5 3HB PRO 5 -4.000 6.102 -10.593 34 HG2 PRO 5 2HG PRO 5 -4.932 8.698 -9.430 35 HG3 PRO 5 3HG PRO 5 -5.764 7.133 -9.483 36 HD2 PRO 5 2HD PRO 5 -4.487 8.030 -7.270 37 HD3 PRO 5 3HD PRO 5 -4.590 6.306 -7.680 38 H ALA 6 H ALA 6 -2.793 9.573 -8.603 39 HA ALA 6 HA ALA 6 -2.156 11.725 -9.011 40 HB1 ALA 6 1HB ALA 6 -0.046 10.936 -8.189 41 HB2 ALA 6 2HB ALA 6 0.379 10.283 -9.771 42 HB3 ALA 6 3HB ALA 6 0.253 12.027 -9.542 43 H LEU 7 H LEU 7 -3.479 10.276 -11.191 44 HA LEU 7 HA LEU 7 -2.301 11.594 -13.539 45 HB2 LEU 7 2HB LEU 7 -3.497 9.043 -13.119 46 HB3 LEU 7 3HB LEU 7 -4.489 9.944 -14.264 47 HG LEU 7 HG LEU 7 -1.543 9.364 -14.568 48 HD11 LEU 7 1HD1 LEU 7 -2.119 7.740 -16.163 49 HD12 LEU 7 2HD1 LEU 7 -3.803 8.262 -16.211 50 HD13 LEU 7 3HD1 LEU 7 -3.178 7.430 -14.787 51 HD21 LEU 7 3HD2 LEU 7 -2.164 11.472 -15.601 52 HD22 LEU 7 1HD2 LEU 7 -3.511 10.691 -16.429 53 HD23 LEU 7 2HD2 LEU 7 -1.853 10.251 -16.836 54 H GLN 8 H GLN 8 -5.204 11.345 -11.590 55 HA GLN 8 HA GLN 8 -6.210 13.777 -12.867 56 HB2 GLN 8 2HB GLN 8 -7.646 11.154 -12.677 57 HB3 GLN 8 3HB GLN 8 -8.559 12.656 -12.634 58 HG2 GLN 8 2HG GLN 8 -6.652 11.891 -14.831 59 HG3 GLN 8 3HG GLN 8 -8.394 11.629 -14.882 60 HE21 GLN 8 1HE2 GLN 8 -9.741 13.320 -15.294 61 HE22 GLN 8 2HE2 GLN 8 -9.190 14.898 -15.730 62 H GLU 9 H GLU 9 -4.969 13.932 -10.536 63 HA GLU 9 HA GLU 9 -7.107 14.011 -8.510 64 HB2 GLU 9 2HB GLU 9 -5.314 13.909 -6.816 65 HB3 GLU 9 3HB GLU 9 -5.328 12.496 -7.861 66 HG2 GLU 9 2HG GLU 9 -3.437 13.279 -9.077 67 HG3 GLU 9 3HG GLU 9 -3.499 14.845 -8.270 68 H LYS 10 H LYS 10 -7.072 16.073 -10.259 69 HA LYS 10 HA LYS 10 -5.427 18.251 -9.657 70 HB2 LYS 10 2HB LYS 10 -8.240 18.113 -10.741 71 HB3 LYS 10 3HB LYS 10 -7.351 19.623 -10.592 72 HG2 LYS 10 2HG LYS 10 -6.356 17.260 -12.163 73 HG3 LYS 10 3HG LYS 10 -7.303 18.576 -12.861 74 HD2 LYS 10 2HD LYS 10 -5.578 20.044 -12.768 75 HD3 LYS 10 3HD LYS 10 -4.938 19.362 -11.272 76 HE2 LYS 10 2HE LYS 10 -3.986 17.501 -12.486 77 HE3 LYS 10 3HE LYS 10 -4.718 18.066 -13.987 78 HZ1 LYS 10 3HZ LYS 10 -2.459 18.734 -13.994 79 HZ2 LYS 10 1HZ LYS 10 -2.560 19.379 -12.433 80 HZ3 LYS 10 2HZ LYS 10 -3.372 20.130 -13.713 81 H ILE 11 H ILE 11 -6.755 20.409 -8.915 82 HA ILE 11 HA ILE 11 -8.545 20.177 -6.762 83 HB ILE 11 HB ILE 11 -6.672 19.135 -5.589 84 HG12 ILE 11 2HG1 ILE 11 -6.628 20.606 -3.627 85 HG13 ILE 11 3HG1 ILE 11 -7.202 21.950 -4.608 86 HG21 ILE 11 1HG2 ILE 11 -4.599 20.257 -5.188 87 HG22 ILE 11 2HG2 ILE 11 -4.896 20.267 -6.926 88 HG23 ILE 11 3HG2 ILE 11 -5.181 21.724 -5.974 89 HD11 ILE 11 3HD1 ILE 11 -8.978 19.715 -4.863 90 HD12 ILE 11 1HD1 ILE 11 -8.727 20.112 -3.163 91 HD13 ILE 11 2HD1 ILE 11 -9.303 21.348 -4.282 92 H SER 12 H SER 12 -9.439 22.116 -6.397 93 HA SER 12 HA SER 12 -9.826 24.358 -6.455 94 HB2 SER 12 2HB SER 12 -7.617 24.380 -5.187 95 HB3 SER 12 3HB SER 12 -6.844 24.755 -6.727 96 HG SER 12 HG SER 12 -7.636 26.720 -6.659 97 H THR 13 H THR 13 -10.761 25.187 -8.188 98 HA THR 13 HA THR 13 -9.395 25.014 -10.778 99 HB THR 13 HB THR 13 -11.747 25.776 -11.601 100 HG1 THR 13 HG1 THR 13 -13.398 25.418 -10.188 101 HG21 THR 13 3HG2 THR 13 -11.882 23.045 -10.446 102 HG22 THR 13 1HG2 THR 13 -10.541 23.400 -11.534 103 HG23 THR 13 2HG2 THR 13 -12.204 23.595 -12.090 104 H GLU 14 H GLU 14 -11.769 27.339 -9.510 105 HA GLU 14 HA GLU 14 -10.155 29.501 -10.654 106 HB2 GLU 14 2HB GLU 14 -12.991 29.002 -10.385 107 HB3 GLU 14 3HB GLU 14 -12.566 30.562 -9.695 108 HG2 GLU 14 2HG GLU 14 -11.331 31.005 -11.876 109 HG3 GLU 14 3HG GLU 14 -12.194 29.604 -12.510 110 H LEU 15 H LEU 15 -10.187 27.982 -7.852 111 HA LEU 15 HA LEU 15 -9.278 28.550 -5.827 112 HB2 LEU 15 2HB LEU 15 -8.489 30.637 -7.378 113 HB3 LEU 15 3HB LEU 15 -9.473 31.462 -6.170 114 HG LEU 15 HG LEU 15 -8.045 30.348 -4.414 115 HD11 LEU 15 1HD1 LEU 15 -5.900 29.469 -5.064 116 HD12 LEU 15 2HD1 LEU 15 -6.248 29.777 -6.765 117 HD13 LEU 15 3HD1 LEU 15 -7.172 28.562 -5.882 118 HD21 LEU 15 3HD2 LEU 15 -6.083 31.885 -4.872 119 HD22 LEU 15 1HD2 LEU 15 -7.676 32.640 -4.825 120 HD23 LEU 15 2HD2 LEU 15 -6.898 32.318 -6.375 121 H ASN 16 H ASN 16 -12.205 29.582 -7.080 122 HA ASN 16 HA ASN 16 -13.202 30.597 -4.524 123 HB2 ASN 16 2HB ASN 16 -14.043 30.817 -7.346 124 HB3 ASN 16 3HB ASN 16 -15.357 30.671 -6.182 125 HD21 ASN 16 1HD2 ASN 16 -12.735 32.625 -7.321 126 HD22 ASN 16 2HD2 ASN 16 -13.150 34.057 -6.447 127 H ASN 17 H ASN 17 -13.854 28.033 -6.889 128 HA ASN 17 HA ASN 17 -15.878 26.806 -5.268 129 HB2 ASN 17 2HB ASN 17 -14.429 25.429 -7.516 130 HB3 ASN 17 3HB ASN 17 -16.097 25.222 -6.989 131 HD21 ASN 17 1HD2 ASN 17 -17.492 27.176 -7.235 132 HD22 ASN 17 2HD2 ASN 17 -17.284 28.119 -8.668 133 H LYS 18 H LYS 18 -12.451 26.639 -5.476 134 HA LYS 18 HA LYS 18 -11.870 24.075 -4.632 135 HB2 LYS 18 2HB LYS 18 -9.762 24.894 -3.923 136 HB3 LYS 18 3HB LYS 18 -10.243 25.910 -5.275 137 HG2 LYS 18 2HG LYS 18 -9.571 27.540 -3.867 138 HG3 LYS 18 3HG LYS 18 -11.232 27.385 -3.289 139 HD2 LYS 18 2HD LYS 18 -10.594 26.501 -1.315 140 HD3 LYS 18 3HD LYS 18 -9.299 25.549 -2.045 141 HE2 LYS 18 2HE LYS 18 -9.200 28.517 -1.514 142 HE3 LYS 18 3HE LYS 18 -8.455 27.278 -0.505 143 HZ1 LYS 18 3HZ LYS 18 -7.485 28.465 -2.897 144 HZ2 LYS 18 1HZ LYS 18 -7.555 26.782 -3.054 145 HZ3 LYS 18 2HZ LYS 18 -6.675 27.478 -1.788 146 H GLN 19 H GLN 19 -13.091 26.787 -2.789 147 HA GLN 19 HA GLN 19 -12.617 25.693 -0.213 148 HB2 GLN 19 2HB GLN 19 -14.167 27.958 -1.331 149 HB3 GLN 19 3HB GLN 19 -14.684 27.357 0.239 150 HG2 GLN 19 2HG GLN 19 -13.104 28.578 1.179 151 HG3 GLN 19 3HG GLN 19 -11.895 27.576 0.377 152 HE21 GLN 19 1HE2 GLN 19 -12.953 30.660 0.808 153 HE22 GLN 19 2HE2 GLN 19 -12.250 31.403 -0.584 154 H TYR 20 H TYR 20 -15.447 25.718 -2.351 155 HA TYR 20 HA TYR 20 -17.131 24.293 -0.558 156 HB2 TYR 20 2HB TYR 20 -17.284 24.817 -3.525 157 HB3 TYR 20 3HB TYR 20 -18.521 23.917 -2.654 158 HD1 TYR 20 HD1 TYR 20 -19.947 25.045 -1.002 159 HD2 TYR 20 HD2 TYR 20 -17.090 27.204 -3.299 160 HE1 TYR 20 HE1 TYR 20 -21.057 27.152 -0.391 161 HE2 TYR 20 HE2 TYR 20 -18.192 29.318 -2.694 162 HH TYR 20 HH TYR 20 -19.793 29.994 -0.495 163 H GLU 21 H GLU 21 -15.045 23.341 -3.243 164 HA GLU 21 HA GLU 21 -15.837 20.612 -3.271 165 HB2 GLU 21 2HB GLU 21 -14.702 21.831 -5.155 166 HB3 GLU 21 3HB GLU 21 -13.212 21.762 -4.224 167 HG2 GLU 21 2HG GLU 21 -13.490 20.005 -5.998 168 HG3 GLU 21 3HG GLU 21 -13.098 19.417 -4.383 169 H LEU 22 H LEU 22 -13.088 22.326 -1.821 170 HA LEU 22 HA LEU 22 -11.852 20.043 -0.715 171 HB2 LEU 22 2HB LEU 22 -10.766 22.251 -1.055 172 HB3 LEU 22 3HB LEU 22 -11.722 22.884 0.284 173 HG LEU 22 HG LEU 22 -9.999 20.515 0.799 174 HD11 LEU 22 1HD1 LEU 22 -8.392 21.766 -0.355 175 HD12 LEU 22 2HD1 LEU 22 -8.142 22.178 1.342 176 HD13 LEU 22 3HD1 LEU 22 -8.998 23.296 0.280 177 HD21 LEU 22 3HD2 LEU 22 -9.697 22.343 2.814 178 HD22 LEU 22 1HD2 LEU 22 -10.869 21.025 2.795 179 HD23 LEU 22 2HD2 LEU 22 -11.351 22.640 2.277 180 H PHE 23 H PHE 23 -14.413 22.144 0.405 181 HA PHE 23 HA PHE 23 -14.433 21.460 3.115 182 HB2 PHE 23 2HB PHE 23 -16.220 22.782 1.241 183 HB3 PHE 23 3HB PHE 23 -17.107 21.834 2.431 184 HD1 PHE 23 HD1 PHE 23 -13.948 23.782 2.730 185 HD2 PHE 23 HD2 PHE 23 -18.001 23.323 3.948 186 HE1 PHE 23 HE1 PHE 23 -13.654 25.585 4.378 187 HE2 PHE 23 HE2 PHE 23 -17.713 25.125 5.597 188 HZ PHE 23 HZ PHE 23 -15.538 26.259 5.814 189 H MET 24 H MET 24 -16.210 20.016 0.392 190 HA MET 24 HA MET 24 -17.311 17.931 2.040 191 HB2 MET 24 2HB MET 24 -17.685 18.929 -0.648 192 HB3 MET 24 3HB MET 24 -17.561 17.175 -0.648 193 HG2 MET 24 2HG MET 24 -19.806 17.441 -0.361 194 HG3 MET 24 3HG MET 24 -19.273 17.350 1.316 195 HE1 MET 24 3HE MET 24 -20.490 19.831 3.038 196 HE2 MET 24 1HE MET 24 -18.995 18.924 2.807 197 HE3 MET 24 2HE MET 24 -19.007 20.674 2.588 198 H LYS 25 H LYS 25 -14.605 18.295 -0.159 199 HA LYS 25 HA LYS 25 -13.970 15.555 -0.433 200 HB2 LYS 25 2HB LYS 25 -13.125 17.522 -1.831 201 HB3 LYS 25 3HB LYS 25 -11.975 17.813 -0.533 202 HG2 LYS 25 2HG LYS 25 -12.119 15.074 -1.664 203 HG3 LYS 25 3HG LYS 25 -11.374 16.340 -2.643 204 HD2 LYS 25 2HD LYS 25 -10.567 16.091 0.213 205 HD3 LYS 25 3HD LYS 25 -9.956 14.903 -0.941 206 HE2 LYS 25 2HE LYS 25 -8.618 16.402 -1.970 207 HE3 LYS 25 3HE LYS 25 -9.783 17.714 -1.800 208 HZ1 LYS 25 3HZ LYS 25 -8.087 18.363 -0.408 209 HZ2 LYS 25 1HZ LYS 25 -7.746 16.789 0.112 210 HZ3 LYS 25 2HZ LYS 25 -9.126 17.586 0.677 211 H SER 26 H SER 26 -13.035 18.013 1.913 212 HA SER 26 HA SER 26 -11.075 16.423 3.229 213 HB2 SER 26 2HB SER 26 -10.996 18.155 4.870 214 HB3 SER 26 3HB SER 26 -11.273 18.953 3.322 215 HG SER 26 HG SER 26 -12.931 19.800 4.289 216 H LEU 27 H LEU 27 -14.517 16.996 3.725 217 HA LEU 27 HA LEU 27 -14.714 15.628 6.200 218 HB2 LEU 27 2HB LEU 27 -16.732 16.354 4.094 219 HB3 LEU 27 3HB LEU 27 -17.173 15.504 5.574 220 HG LEU 27 HG LEU 27 -15.992 18.275 5.387 221 HD11 LEU 27 1HD1 LEU 27 -18.095 19.108 5.907 222 HD12 LEU 27 2HD1 LEU 27 -18.686 17.545 6.471 223 HD13 LEU 27 3HD1 LEU 27 -18.447 17.828 4.746 224 HD21 LEU 27 3HD2 LEU 27 -17.046 17.746 7.942 225 HD22 LEU 27 1HD2 LEU 27 -15.362 18.027 7.499 226 HD23 LEU 27 2HD2 LEU 27 -16.002 16.384 7.533 227 H ILE 28 H ILE 28 -15.464 14.641 2.864 228 HA ILE 28 HA ILE 28 -16.256 12.018 3.459 229 HB ILE 28 HB ILE 28 -16.747 12.970 1.299 230 HG12 ILE 28 2HG1 ILE 28 -14.992 10.993 0.167 231 HG13 ILE 28 3HG1 ILE 28 -15.617 10.412 1.707 232 HG21 ILE 28 1HG2 ILE 28 -14.437 14.199 1.315 233 HG22 ILE 28 2HG2 ILE 28 -13.905 12.776 0.420 234 HG23 ILE 28 3HG2 ILE 28 -15.213 13.776 -0.211 235 HD11 ILE 28 3HD1 ILE 28 -16.885 10.397 -0.791 236 HD12 ILE 28 1HD1 ILE 28 -17.554 9.921 0.769 237 HD13 ILE 28 2HD1 ILE 28 -17.742 11.579 0.198 238 H GLU 29 H GLU 29 -13.081 13.387 2.730 239 HA GLU 29 HA GLU 29 -11.664 10.968 2.541 240 HB2 GLU 29 2HB GLU 29 -11.000 13.817 2.875 241 HB3 GLU 29 3HB GLU 29 -9.800 12.704 3.516 242 HG2 GLU 29 2HG GLU 29 -9.502 13.476 1.122 243 HG3 GLU 29 3HG GLU 29 -9.402 11.743 1.425 244 H ASN 30 H ASN 30 -12.480 13.008 5.299 245 HA ASN 30 HA ASN 30 -10.913 11.545 7.181 246 HB2 ASN 30 2HB ASN 30 -13.131 13.567 7.451 247 HB3 ASN 30 3HB ASN 30 -12.417 12.782 8.856 248 HD21 ASN 30 1HD2 ASN 30 -11.636 14.742 9.634 249 HD22 ASN 30 2HD2 ASN 30 -10.274 15.532 8.922 250 H CYS 31 H CYS 31 -14.422 11.702 6.573 251 HA CYS 31 HA CYS 31 -15.168 9.720 8.397 252 HB2 CYS 31 2HB CYS 31 -16.531 10.431 5.791 253 HB3 CYS 31 3HB CYS 31 -17.268 9.594 7.151 254 HG CYS 31 HG CYS 31 -17.247 11.750 8.862 255 H LYS 32 H LYS 32 -14.414 9.478 4.936 256 HA LYS 32 HA LYS 32 -14.876 6.691 4.743 257 HB2 LYS 32 2HB LYS 32 -14.881 8.082 2.761 258 HB3 LYS 32 3HB LYS 32 -13.208 8.548 3.038 259 HG2 LYS 32 2HG LYS 32 -13.498 5.676 2.891 260 HG3 LYS 32 3HG LYS 32 -14.118 6.474 1.444 261 HD2 LYS 32 2HD LYS 32 -11.393 6.957 2.646 262 HD3 LYS 32 3HD LYS 32 -11.717 5.885 1.282 263 HE2 LYS 32 2HE LYS 32 -12.934 8.353 0.681 264 HE3 LYS 32 3HE LYS 32 -11.328 8.724 1.306 265 HZ1 LYS 32 3HZ LYS 32 -11.439 8.356 -1.139 266 HZ2 LYS 32 1HZ LYS 32 -11.828 6.738 -0.839 267 HZ3 LYS 32 2HZ LYS 32 -10.335 7.354 -0.339 268 H LYS 33 H LYS 33 -12.127 8.606 5.709 269 HA LYS 33 HA LYS 33 -10.089 6.712 5.432 270 HB2 LYS 33 2HB LYS 33 -10.481 9.235 6.854 271 HB3 LYS 33 3HB LYS 33 -9.402 8.135 7.701 272 HG2 LYS 33 2HG LYS 33 -7.838 8.149 6.000 273 HG3 LYS 33 3HG LYS 33 -9.010 8.673 4.788 274 HD2 LYS 33 2HD LYS 33 -8.342 10.770 5.102 275 HD3 LYS 33 3HD LYS 33 -8.933 10.682 6.763 276 HE2 LYS 33 2HE LYS 33 -6.862 10.437 7.621 277 HE3 LYS 33 3HE LYS 33 -6.318 9.420 6.287 278 HZ1 LYS 33 3HZ LYS 33 -6.308 11.549 4.938 279 HZ2 LYS 33 1HZ LYS 33 -5.092 11.382 6.103 280 HZ3 LYS 33 2HZ LYS 33 -6.428 12.372 6.411 281 H ARG 34 H ARG 34 -12.720 6.854 7.627 282 HA ARG 34 HA ARG 34 -11.476 5.110 9.586 283 HB2 ARG 34 2HB ARG 34 -13.654 6.931 9.583 284 HB3 ARG 34 3HB ARG 34 -14.301 5.341 9.966 285 HG2 ARG 34 2HG ARG 34 -13.769 6.328 12.027 286 HG3 ARG 34 3HG ARG 34 -12.477 5.168 11.710 287 HD2 ARG 34 2HD ARG 34 -11.603 7.527 10.532 288 HD3 ARG 34 3HD ARG 34 -12.350 8.041 12.044 289 HE ARG 34 HE ARG 34 -9.878 6.676 11.748 290 HH11 ARG 34 1HH1 ARG 34 -12.661 6.946 13.822 291 HH12 ARG 34 2HH1 ARG 34 -11.808 6.459 15.249 292 HH21 ARG 34 1HH2 ARG 34 -8.744 6.033 13.620 293 HH22 ARG 34 2HH2 ARG 34 -9.580 5.941 15.133 294 H ASN 35 H ASN 35 -12.481 4.531 6.619 295 HA ASN 35 HA ASN 35 -13.518 1.867 7.305 296 HB2 ASN 35 2HB ASN 35 -15.227 3.610 6.357 297 HB3 ASN 35 3HB ASN 35 -14.448 3.257 4.817 298 HD21 ASN 35 1HD2 ASN 35 -16.434 2.028 7.375 299 HD22 ASN 35 2HD2 ASN 35 -16.950 0.592 6.563 300 H MET 36 H MET 36 -12.452 3.705 4.435 301 HA MET 36 HA MET 36 -10.409 1.665 3.951 302 HB2 MET 36 2HB MET 36 -12.490 2.554 1.952 303 HB3 MET 36 3HB MET 36 -11.023 1.693 1.507 304 HG2 MET 36 2HG MET 36 -13.117 0.649 3.398 305 HG3 MET 36 3HG MET 36 -13.007 0.241 1.687 306 HE1 MET 36 3HE MET 36 -12.934 -2.198 1.960 307 HE2 MET 36 1HE MET 36 -11.767 -3.132 2.898 308 HE3 MET 36 2HE MET 36 -13.033 -2.222 3.722 309 HA PRO 37 HA PRO 37 -8.794 5.975 3.474 310 HB2 PRO 37 2HB PRO 37 -6.481 5.493 4.812 311 HB3 PRO 37 3HB PRO 37 -7.982 5.957 5.623 312 HG2 PRO 37 2HG PRO 37 -6.773 3.239 5.283 313 HG3 PRO 37 3HG PRO 37 -7.530 3.955 6.718 314 HD2 PRO 37 2HD PRO 37 -8.829 2.213 5.102 315 HD3 PRO 37 3HD PRO 37 -9.664 3.522 5.964 316 H LEU 38 H LEU 38 -7.209 6.691 2.065 317 HA LEU 38 HA LEU 38 -6.097 4.650 0.310 318 HB2 LEU 38 2HB LEU 38 -7.023 7.334 0.011 319 HB3 LEU 38 3HB LEU 38 -5.349 7.243 -0.534 320 HG LEU 38 HG LEU 38 -6.828 6.942 -2.410 321 HD11 LEU 38 1HD1 LEU 38 -6.054 4.764 -3.217 322 HD12 LEU 38 2HD1 LEU 38 -5.557 4.336 -1.580 323 HD13 LEU 38 3HD1 LEU 38 -4.761 5.664 -2.424 324 HD21 LEU 38 3HD2 LEU 38 -8.781 5.903 -2.251 325 HD22 LEU 38 1HD2 LEU 38 -8.436 5.572 -0.553 326 HD23 LEU 38 2HD2 LEU 38 -7.984 4.398 -1.790 327 H GLN 39 H GLN 39 -3.876 5.881 -0.702 328 HA GLN 39 HA GLN 39 -1.932 5.295 1.304 329 HB2 GLN 39 2HB GLN 39 -1.407 4.724 -0.956 330 HB3 GLN 39 3HB GLN 39 -1.710 6.366 -1.508 331 HG2 GLN 39 2HG GLN 39 0.405 5.957 0.530 332 HG3 GLN 39 3HG GLN 39 0.731 5.438 -1.123 333 HE21 GLN 39 1HE2 GLN 39 1.399 7.812 0.845 334 HE22 GLN 39 2HE2 GLN 39 1.373 9.172 -0.219 335 H SER 40 H SER 40 -3.317 8.215 -0.029 336 HA SER 40 HA SER 40 -2.275 9.771 2.148 337 HB2 SER 40 2HB SER 40 -0.914 9.783 -0.433 338 HB3 SER 40 3HB SER 40 -1.451 11.392 0.050 339 HG SER 40 HG SER 40 -0.033 11.397 1.614 340 H ILE 41 H ILE 41 -3.160 10.739 -1.151 341 HA ILE 41 HA ILE 41 -5.583 11.996 -0.037 342 HB ILE 41 HB ILE 41 -3.887 12.999 -2.327 343 HG12 ILE 41 2HG1 ILE 41 -4.256 14.827 -0.122 344 HG13 ILE 41 3HG1 ILE 41 -3.561 13.314 0.449 345 HG21 ILE 41 1HG2 ILE 41 -6.070 13.616 -2.864 346 HG22 ILE 41 2HG2 ILE 41 -6.502 13.908 -1.181 347 HG23 ILE 41 3HG2 ILE 41 -5.432 15.028 -2.023 348 HD11 ILE 41 3HD1 ILE 41 -1.902 13.603 -1.497 349 HD12 ILE 41 1HD1 ILE 41 -2.450 15.279 -1.505 350 HD13 ILE 41 2HD1 ILE 41 -1.710 14.600 -0.055 351 HA PRO 42 HA PRO 42 -7.257 8.998 -3.002 352 HB2 PRO 42 2HB PRO 42 -9.733 8.971 -1.888 353 HB3 PRO 42 3HB PRO 42 -8.384 8.022 -1.254 354 HG2 PRO 42 2HG PRO 42 -9.461 10.650 -0.308 355 HG3 PRO 42 3HG PRO 42 -8.946 9.244 0.642 356 HD2 PRO 42 2HD PRO 42 -7.377 11.424 0.299 357 HD3 PRO 42 3HD PRO 42 -6.713 9.786 0.469 358 H GLU 43 H GLU 43 -7.575 9.947 -4.932 359 HA GLU 43 HA GLU 43 -9.954 11.559 -5.306 360 HB2 GLU 43 2HB GLU 43 -7.952 13.092 -4.757 361 HB3 GLU 43 3HB GLU 43 -7.359 12.657 -6.354 362 HG2 GLU 43 2HG GLU 43 -8.485 14.659 -6.690 363 HG3 GLU 43 3HG GLU 43 -9.633 13.429 -7.216 364 H ILE 44 H ILE 44 -10.806 11.391 -7.341 365 HA ILE 44 HA ILE 44 -9.225 10.155 -9.456 366 HB ILE 44 HB ILE 44 -11.806 8.955 -8.445 367 HG12 ILE 44 2HG1 ILE 44 -10.100 6.909 -8.460 368 HG13 ILE 44 3HG1 ILE 44 -8.926 8.205 -8.255 369 HG21 ILE 44 1HG2 ILE 44 -12.133 8.365 -10.573 370 HG22 ILE 44 2HG2 ILE 44 -10.507 8.854 -11.046 371 HG23 ILE 44 3HG2 ILE 44 -10.780 7.256 -10.351 372 HD11 ILE 44 3HD1 ILE 44 -11.093 8.608 -6.446 373 HD12 ILE 44 1HD1 ILE 44 -10.496 6.956 -6.292 374 HD13 ILE 44 2HD1 ILE 44 -9.388 8.315 -6.100 375 H GLY 45 H GLY 45 -9.507 11.398 -11.180 376 HA2 GLY 45 2HA GLY 45 -10.908 12.154 -12.968 377 HA3 GLY 45 3HA GLY 45 -12.226 12.320 -11.817 378 H ASN 46 H ASN 46 -12.186 14.101 -10.332 379 HA ASN 46 HA ASN 46 -10.265 16.120 -10.288 380 HB2 ASN 46 2HB ASN 46 -11.498 16.149 -12.730 381 HB3 ASN 46 3HB ASN 46 -12.483 17.294 -11.824 382 HD21 ASN 46 1HD2 ASN 46 -11.596 19.218 -11.145 383 HD22 ASN 46 2HD2 ASN 46 -10.070 19.795 -11.714 384 H ARG 47 H ARG 47 -11.904 14.831 -8.441 385 HA ARG 47 HA ARG 47 -13.151 15.270 -6.590 386 HB2 ARG 47 2HB ARG 47 -13.033 18.186 -7.342 387 HB3 ARG 47 3HB ARG 47 -13.221 17.489 -5.739 388 HG2 ARG 47 2HG ARG 47 -11.035 17.668 -5.461 389 HG3 ARG 47 3HG ARG 47 -10.810 16.472 -6.739 390 HD2 ARG 47 2HD ARG 47 -9.537 18.499 -7.202 391 HD3 ARG 47 3HD ARG 47 -10.799 18.255 -8.409 392 HE ARG 47 HE ARG 47 -11.557 19.972 -6.221 393 HH11 ARG 47 1HH1 ARG 47 -10.109 19.791 -9.382 394 HH12 ARG 47 2HH1 ARG 47 -10.438 21.447 -9.770 395 HH21 ARG 47 1HH2 ARG 47 -11.995 22.154 -6.720 396 HH22 ARG 47 2HH2 ARG 47 -11.510 22.791 -8.255 397 H LYS 48 H LYS 48 -15.144 14.483 -6.838 398 HA LYS 48 HA LYS 48 -17.189 16.246 -7.969 399 HB2 LYS 48 2HB LYS 48 -17.002 13.314 -8.674 400 HB3 LYS 48 3HB LYS 48 -18.185 14.470 -9.272 401 HG2 LYS 48 2HG LYS 48 -16.778 14.447 -11.047 402 HG3 LYS 48 3HG LYS 48 -15.997 15.715 -10.099 403 HD2 LYS 48 2HD LYS 48 -14.141 14.502 -9.888 404 HD3 LYS 48 3HD LYS 48 -15.054 13.112 -9.296 405 HE2 LYS 48 2HE LYS 48 -14.130 12.249 -11.215 406 HE3 LYS 48 3HE LYS 48 -15.682 12.828 -11.819 407 HZ1 LYS 48 3HZ LYS 48 -14.714 14.499 -12.978 408 HZ2 LYS 48 1HZ LYS 48 -13.415 13.415 -13.000 409 HZ3 LYS 48 2HZ LYS 48 -13.434 14.690 -11.889 410 H ILE 49 H ILE 49 -16.205 14.885 -5.322 411 HA ILE 49 HA ILE 49 -18.603 13.484 -4.493 412 HB ILE 49 HB ILE 49 -16.321 14.307 -2.710 413 HG12 ILE 49 2HG1 ILE 49 -15.839 11.683 -3.321 414 HG13 ILE 49 3HG1 ILE 49 -16.399 12.308 -4.869 415 HG21 ILE 49 1HG2 ILE 49 -18.751 12.953 -2.279 416 HG22 ILE 49 2HG2 ILE 49 -17.469 11.748 -2.160 417 HG23 ILE 49 3HG2 ILE 49 -17.423 13.188 -1.143 418 HD11 ILE 49 3HD1 ILE 49 -13.860 12.635 -3.572 419 HD12 ILE 49 1HD1 ILE 49 -14.341 13.035 -5.221 420 HD13 ILE 49 2HD1 ILE 49 -14.588 14.203 -3.922 421 H ASN 50 H ASN 50 -17.820 16.655 -4.847 422 HA ASN 50 HA ASN 50 -18.873 17.737 -2.416 423 HB2 ASN 50 2HB ASN 50 -17.259 18.981 -3.798 424 HB3 ASN 50 3HB ASN 50 -18.440 19.062 -5.103 425 HD21 ASN 50 1HD2 ASN 50 -18.893 21.161 -5.227 426 HD22 ASN 50 2HD2 ASN 50 -19.471 22.133 -3.921 427 H LEU 51 H LEU 51 -20.840 18.902 -2.167 428 HA LEU 51 HA LEU 51 -23.082 17.613 -3.362 429 HB2 LEU 51 2HB LEU 51 -22.576 19.346 -1.153 430 HB3 LEU 51 3HB LEU 51 -23.897 20.016 -2.109 431 HG LEU 51 HG LEU 51 -25.018 17.759 -1.916 432 HD11 LEU 51 1HD1 LEU 51 -23.018 17.335 0.294 433 HD12 LEU 51 2HD1 LEU 51 -22.923 16.554 -1.284 434 HD13 LEU 51 3HD1 LEU 51 -24.299 16.240 -0.226 435 HD21 LEU 51 3HD2 LEU 51 -24.495 19.470 0.505 436 HD22 LEU 51 1HD2 LEU 51 -25.690 18.173 0.479 437 HD23 LEU 51 2HD2 LEU 51 -25.859 19.549 -0.612 438 H PHE 52 H PHE 52 -21.227 20.403 -4.136 439 HA PHE 52 HA PHE 52 -23.311 21.491 -5.869 440 HB2 PHE 52 2HB PHE 52 -21.634 22.831 -4.326 441 HB3 PHE 52 3HB PHE 52 -20.566 22.662 -5.716 442 HD1 PHE 52 HD1 PHE 52 -24.044 23.709 -4.878 443 HD2 PHE 52 HD2 PHE 52 -20.634 24.265 -7.363 444 HE1 PHE 52 HE1 PHE 52 -25.141 25.634 -5.947 445 HE2 PHE 52 HE2 PHE 52 -21.725 26.191 -8.436 446 HZ PHE 52 HZ PHE 52 -23.981 26.879 -7.728 447 H TYR 53 H TYR 53 -20.196 19.888 -6.015 448 HA TYR 53 HA TYR 53 -19.822 20.231 -8.822 449 HB2 TYR 53 2HB TYR 53 -18.078 19.659 -6.973 450 HB3 TYR 53 3HB TYR 53 -18.579 17.995 -7.251 451 HD1 TYR 53 HD1 TYR 53 -18.711 17.426 -9.910 452 HD2 TYR 53 HD2 TYR 53 -16.191 20.335 -8.097 453 HE1 TYR 53 HE1 TYR 53 -17.175 17.280 -11.825 454 HE2 TYR 53 HE2 TYR 53 -14.649 20.199 -10.008 455 HH TYR 53 HH TYR 53 -15.346 18.101 -12.786 456 H LEU 54 H LEU 54 -20.836 17.462 -6.826 457 HA LEU 54 HA LEU 54 -21.305 15.669 -8.916 458 HB2 LEU 54 2HB LEU 54 -21.232 15.240 -6.402 459 HB3 LEU 54 3HB LEU 54 -22.918 15.752 -6.383 460 HG LEU 54 HG LEU 54 -23.334 13.899 -8.081 461 HD11 LEU 54 1HD1 LEU 54 -21.768 12.260 -8.463 462 HD12 LEU 54 2HD1 LEU 54 -20.851 12.644 -7.006 463 HD13 LEU 54 3HD1 LEU 54 -20.753 13.702 -8.413 464 HD21 LEU 54 3HD2 LEU 54 -22.486 12.470 -5.693 465 HD22 LEU 54 1HD2 LEU 54 -24.102 12.709 -6.358 466 HD23 LEU 54 2HD2 LEU 54 -23.382 13.946 -5.328 467 H TYR 55 H TYR 55 -23.269 18.253 -7.622 468 HA TYR 55 HA TYR 55 -25.675 17.453 -8.962 469 HB2 TYR 55 2HB TYR 55 -25.577 18.856 -6.865 470 HB3 TYR 55 3HB TYR 55 -25.012 20.189 -7.865 471 HD1 TYR 55 HD1 TYR 55 -27.822 17.735 -7.667 472 HD2 TYR 55 HD2 TYR 55 -26.571 21.657 -8.742 473 HE1 TYR 55 HE1 TYR 55 -30.153 18.333 -8.173 474 HE2 TYR 55 HE2 TYR 55 -28.899 22.267 -9.250 475 HH TYR 55 HH TYR 55 -31.540 20.379 -8.313 476 H MET 56 H MET 56 -23.191 19.929 -9.519 477 HA MET 56 HA MET 56 -24.319 21.096 -11.794 478 HB2 MET 56 2HB MET 56 -22.310 21.874 -10.397 479 HB3 MET 56 3HB MET 56 -21.352 20.783 -11.388 480 HG2 MET 56 2HG MET 56 -22.623 22.129 -13.321 481 HG3 MET 56 3HG MET 56 -22.598 23.367 -12.067 482 HE1 MET 56 3HE MET 56 -18.847 21.349 -13.832 483 HE2 MET 56 1HE MET 56 -20.166 20.487 -13.041 484 HE3 MET 56 2HE MET 56 -20.429 21.256 -14.606 485 H LEU 57 H LEU 57 -22.250 18.265 -11.435 486 HA LEU 57 HA LEU 57 -21.689 17.841 -14.154 487 HB2 LEU 57 2HB LEU 57 -20.804 16.711 -11.936 488 HB3 LEU 57 3HB LEU 57 -22.048 15.524 -12.322 489 HG LEU 57 HG LEU 57 -20.500 15.996 -14.666 490 HD11 LEU 57 1HD1 LEU 57 -18.683 16.782 -13.359 491 HD12 LEU 57 2HD1 LEU 57 -18.324 15.108 -13.782 492 HD13 LEU 57 3HD1 LEU 57 -18.903 15.503 -12.164 493 HD21 LEU 57 3HD2 LEU 57 -21.733 13.966 -14.209 494 HD22 LEU 57 1HD2 LEU 57 -20.730 13.641 -12.796 495 HD23 LEU 57 2HD2 LEU 57 -20.021 13.590 -14.410 496 H VAL 58 H VAL 58 -24.262 16.517 -12.087 497 HA VAL 58 HA VAL 58 -25.494 14.926 -14.039 498 HB VAL 58 HB VAL 58 -26.847 16.298 -11.713 499 HG11 VAL 58 1HG1 VAL 58 -27.671 14.249 -13.670 500 HG12 VAL 58 2HG1 VAL 58 -28.101 13.937 -11.987 501 HG13 VAL 58 3HG1 VAL 58 -28.638 15.421 -12.775 502 HG21 VAL 58 3HG2 VAL 58 -24.771 14.373 -11.704 503 HG22 VAL 58 1HG2 VAL 58 -25.701 14.987 -10.337 504 HG23 VAL 58 2HG2 VAL 58 -26.255 13.558 -11.210 505 H GLN 59 H GLN 59 -26.233 18.244 -12.985 506 HA GLN 59 HA GLN 59 -28.374 18.670 -14.754 507 HB2 GLN 59 2HB GLN 59 -27.799 20.074 -12.753 508 HB3 GLN 59 3HB GLN 59 -26.482 20.769 -13.688 509 HG2 GLN 59 2HG GLN 59 -28.411 21.275 -15.402 510 HG3 GLN 59 3HG GLN 59 -29.413 21.156 -13.956 511 HE21 GLN 59 1HE2 GLN 59 -29.370 22.765 -12.470 512 HE22 GLN 59 2HE2 GLN 59 -28.467 24.226 -12.655 513 H LYS 60 H LYS 60 -24.905 19.041 -15.128 514 HA LYS 60 HA LYS 60 -24.985 20.461 -17.585 515 HB2 LYS 60 2HB LYS 60 -23.011 20.355 -16.057 516 HB3 LYS 60 3HB LYS 60 -22.778 18.680 -16.539 517 HG2 LYS 60 2HG LYS 60 -22.941 20.646 -18.729 518 HG3 LYS 60 3HG LYS 60 -21.519 20.747 -17.688 519 HD2 LYS 60 2HD LYS 60 -21.700 18.060 -18.127 520 HD3 LYS 60 3HD LYS 60 -22.274 18.714 -19.663 521 HE2 LYS 60 2HE LYS 60 -20.151 19.021 -20.244 522 HE3 LYS 60 3HE LYS 60 -20.040 20.252 -18.987 523 HZ1 LYS 60 3HZ LYS 60 -19.256 17.409 -18.852 524 HZ2 LYS 60 1HZ LYS 60 -19.563 18.295 -17.443 525 HZ3 LYS 60 2HZ LYS 60 -18.332 18.781 -18.496 526 H PHE 61 H PHE 61 -24.927 17.047 -16.743 527 HA PHE 61 HA PHE 61 -24.561 16.145 -19.439 528 HB2 PHE 61 2HB PHE 61 -24.385 14.980 -16.921 529 HB3 PHE 61 3HB PHE 61 -25.789 14.205 -17.648 530 HD1 PHE 61 HD2 PHE 61 -25.556 12.894 -19.706 531 HD2 PHE 61 HD1 PHE 61 -22.179 14.573 -17.731 532 HE1 PHE 61 HE2 PHE 61 -24.072 11.405 -20.984 533 HE2 PHE 61 HE1 PHE 61 -20.690 13.087 -19.007 534 HZ PHE 61 HZ PHE 61 -21.636 11.499 -20.635 535 H GLY 62 H GLY 62 -27.156 17.479 -17.813 536 HA2 GLY 62 2HA GLY 62 -29.220 17.945 -18.880 537 HA3 GLY 62 3HA GLY 62 -28.987 16.528 -19.893 538 H GLY 63 H GLY 63 -28.497 16.369 -16.447 539 HA2 GLY 63 2HA GLY 63 -29.997 15.650 -14.774 540 HA3 GLY 63 3HA GLY 63 -31.164 15.247 -16.025 541 H ALA 64 H ALA 64 -30.326 13.618 -13.786 542 HA ALA 64 HA ALA 64 -28.473 11.650 -14.399 543 HB1 ALA 64 1HB ALA 64 -29.151 11.390 -12.258 544 HB2 ALA 64 2HB ALA 64 -30.819 11.838 -12.615 545 HB3 ALA 64 3HB ALA 64 -30.242 10.214 -12.990 546 H ASP 65 H ASP 65 -31.774 12.039 -15.500 547 HA ASP 65 HA ASP 65 -32.225 9.470 -16.516 548 HB2 ASP 65 2HB ASP 65 -33.287 12.168 -17.356 549 HB3 ASP 65 3HB ASP 65 -33.844 10.658 -18.071 550 H GLN 66 H GLN 66 -30.596 12.264 -17.906 551 HA GLN 66 HA GLN 66 -30.323 11.207 -20.523 552 HB2 GLN 66 2HB GLN 66 -30.001 13.649 -19.584 553 HB3 GLN 66 3HB GLN 66 -28.330 13.131 -19.400 554 HG2 GLN 66 2HG GLN 66 -29.871 13.734 -21.830 555 HG3 GLN 66 3HG GLN 66 -28.155 13.947 -21.486 556 HE21 GLN 66 1HE2 GLN 66 -26.727 12.339 -21.992 557 HE22 GLN 66 2HE2 GLN 66 -27.159 10.939 -22.907 558 H VAL 67 H VAL 67 -28.222 11.194 -17.674 559 HA VAL 67 HA VAL 67 -25.960 10.039 -18.844 560 HB VAL 67 HB VAL 67 -26.884 9.570 -16.009 561 HG11 VAL 67 1HG1 VAL 67 -24.045 9.973 -16.553 562 HG12 VAL 67 2HG1 VAL 67 -24.852 8.728 -15.598 563 HG13 VAL 67 3HG1 VAL 67 -24.719 8.552 -17.349 564 HG21 VAL 67 3HG2 VAL 67 -25.385 11.601 -15.562 565 HG22 VAL 67 1HG2 VAL 67 -25.582 11.957 -17.278 566 HG23 VAL 67 2HG2 VAL 67 -26.993 11.898 -16.222 567 H THR 68 H THR 68 -28.931 8.610 -17.663 568 HA THR 68 HA THR 68 -27.899 5.907 -18.024 569 HB THR 68 HB THR 68 -29.324 6.412 -16.058 570 HG1 THR 68 HG1 THR 68 -30.520 4.591 -17.900 571 HG21 THR 68 3HG2 THR 68 -30.833 8.040 -17.004 572 HG22 THR 68 1HG2 THR 68 -31.770 6.661 -16.431 573 HG23 THR 68 2HG2 THR 68 -31.451 6.855 -18.155 574 H ARG 69 H ARG 69 -29.810 8.257 -19.675 575 HA ARG 69 HA ARG 69 -31.343 6.578 -21.328 576 HB2 ARG 69 2HB ARG 69 -32.000 8.827 -21.290 577 HB3 ARG 69 3HB ARG 69 -30.365 9.405 -21.580 578 HG2 ARG 69 2HG ARG 69 -31.905 9.670 -23.510 579 HG3 ARG 69 3HG ARG 69 -30.454 8.730 -23.866 580 HD2 ARG 69 2HD ARG 69 -31.649 6.922 -24.391 581 HD3 ARG 69 3HD ARG 69 -32.623 7.055 -22.928 582 HE ARG 69 HE ARG 69 -33.520 9.011 -24.677 583 HH11 ARG 69 1HH1 ARG 69 -33.325 5.537 -24.562 584 HH12 ARG 69 2HH1 ARG 69 -34.726 5.295 -25.552 585 HH21 ARG 69 1HH2 ARG 69 -35.366 8.705 -25.982 586 HH22 ARG 69 2HH2 ARG 69 -35.885 7.098 -26.360 587 H THR 70 H THR 70 -28.108 7.954 -21.731 588 HA THR 70 HA THR 70 -27.778 6.476 -24.237 589 HB THR 70 HB THR 70 -27.085 8.798 -24.327 590 HG1 THR 70 HG1 THR 70 -24.974 8.432 -25.089 591 HG21 THR 70 3HG2 THR 70 -25.320 8.064 -21.996 592 HG22 THR 70 1HG2 THR 70 -26.587 9.288 -22.046 593 HG23 THR 70 2HG2 THR 70 -25.098 9.523 -22.961 594 H GLN 71 H GLN 71 -27.411 5.850 -21.061 595 HA GLN 71 HA GLN 71 -26.261 4.304 -19.853 596 HB2 GLN 71 2HB GLN 71 -26.869 3.012 -22.051 597 HB3 GLN 71 3HB GLN 71 -25.143 3.125 -22.368 598 HG2 GLN 71 2HG GLN 71 -24.596 1.682 -20.705 599 HG3 GLN 71 3HG GLN 71 -25.976 2.136 -19.706 600 HE21 GLN 71 1HE2 GLN 71 -26.277 -0.136 -19.375 601 HE22 GLN 71 2HE2 GLN 71 -27.092 -1.084 -20.567 602 H GLN 72 H GLN 72 -25.000 6.666 -19.963 603 HA GLN 72 HA GLN 72 -22.180 6.035 -20.516 604 HB2 GLN 72 2HB GLN 72 -23.773 8.542 -20.615 605 HB3 GLN 72 3HB GLN 72 -22.097 8.676 -20.102 606 HG2 GLN 72 2HG GLN 72 -22.417 7.040 -22.482 607 HG3 GLN 72 3HG GLN 72 -23.013 8.686 -22.691 608 HE21 GLN 72 1HE2 GLN 72 -21.472 9.605 -23.888 609 HE22 GLN 72 2HE2 GLN 72 -19.802 9.698 -23.457 610 H TRP 73 H TRP 73 -24.356 6.148 -18.037 611 HA TRP 73 HA TRP 73 -23.042 7.490 -15.974 612 HB2 TRP 73 2HB TRP 73 -25.322 6.747 -15.699 613 HB3 TRP 73 3HB TRP 73 -24.842 5.062 -15.883 614 HD1 TRP 73 HD1 TRP 73 -25.120 3.939 -13.604 615 HE1 TRP 73 HE1 TRP 73 -24.503 4.518 -11.173 616 HE3 TRP 73 HE3 TRP 73 -23.261 8.645 -14.336 617 HZ2 TRP 73 HZ2 TRP 73 -23.379 6.683 -9.753 618 HZ3 TRP 73 HZ3 TRP 73 -22.435 9.903 -12.389 619 HH2 TRP 73 HH2 TRP 73 -22.494 8.940 -10.146 620 H SER 74 H SER 74 -22.541 4.289 -17.309 621 HA SER 74 HA SER 74 -20.937 3.229 -15.258 622 HB2 SER 74 2HB SER 74 -20.501 2.527 -18.146 623 HB3 SER 74 3HB SER 74 -20.447 1.479 -16.729 624 HG SER 74 HG SER 74 -22.416 1.602 -18.290 625 H MET 75 H MET 75 -20.082 4.987 -18.222 626 HA MET 75 HA MET 75 -17.275 4.916 -17.714 627 HB2 MET 75 2HB MET 75 -19.061 5.992 -19.757 628 HB3 MET 75 3HB MET 75 -17.697 7.051 -19.423 629 HG2 MET 75 2HG MET 75 -17.202 4.149 -19.861 630 HG3 MET 75 3HG MET 75 -17.541 5.186 -21.245 631 HE1 MET 75 3HE MET 75 -15.325 3.378 -20.685 632 HE2 MET 75 1HE MET 75 -14.079 4.276 -21.552 633 HE3 MET 75 2HE MET 75 -13.897 3.956 -19.827 634 H VAL 76 H VAL 76 -19.782 7.406 -17.346 635 HA VAL 76 HA VAL 76 -18.128 9.464 -16.416 636 HB VAL 76 HB VAL 76 -21.016 8.971 -15.676 637 HG11 VAL 76 1HG1 VAL 76 -20.376 10.640 -14.232 638 HG12 VAL 76 2HG1 VAL 76 -19.160 11.281 -15.339 639 HG13 VAL 76 3HG1 VAL 76 -20.871 11.588 -15.634 640 HG21 VAL 76 3HG2 VAL 76 -20.693 10.983 -17.659 641 HG22 VAL 76 1HG2 VAL 76 -19.844 9.533 -18.195 642 HG23 VAL 76 2HG2 VAL 76 -21.555 9.449 -17.776 643 H ALA 77 H ALA 77 -19.943 6.990 -14.627 644 HA ALA 77 HA ALA 77 -19.386 7.825 -12.039 645 HB1 ALA 77 1HB ALA 77 -20.974 6.138 -12.220 646 HB2 ALA 77 2HB ALA 77 -19.933 5.130 -13.226 647 HB3 ALA 77 3HB ALA 77 -19.588 5.313 -11.506 648 H GLN 78 H GLN 78 -17.437 5.894 -14.255 649 HA GLN 78 HA GLN 78 -15.453 5.112 -12.416 650 HB2 GLN 78 2HB GLN 78 -15.833 4.154 -14.716 651 HB3 GLN 78 3HB GLN 78 -15.059 5.591 -15.370 652 HG2 GLN 78 2HG GLN 78 -13.180 4.832 -13.617 653 HG3 GLN 78 3HG GLN 78 -13.888 3.263 -13.997 654 HE21 GLN 78 1HE2 GLN 78 -14.136 2.797 -16.347 655 HE22 GLN 78 2HE2 GLN 78 -12.865 3.308 -17.399 656 H ARG 79 H ARG 79 -15.930 8.032 -14.281 657 HA ARG 79 HA ARG 79 -13.378 9.144 -14.105 658 HB2 ARG 79 2HB ARG 79 -15.812 9.941 -15.121 659 HB3 ARG 79 3HB ARG 79 -15.548 11.086 -13.813 660 HG2 ARG 79 2HG ARG 79 -14.470 12.228 -15.423 661 HG3 ARG 79 3HG ARG 79 -13.132 11.171 -14.967 662 HD2 ARG 79 2HD ARG 79 -13.342 9.869 -16.845 663 HD3 ARG 79 3HD ARG 79 -15.058 10.229 -17.032 664 HE ARG 79 HE ARG 79 -14.494 12.011 -18.346 665 HH11 ARG 79 1HH1 ARG 79 -11.698 11.028 -16.520 666 HH12 ARG 79 2HH1 ARG 79 -10.620 12.106 -17.343 667 HH21 ARG 79 1HH2 ARG 79 -13.085 13.433 -19.438 668 HH22 ARG 79 2HH2 ARG 79 -11.410 13.474 -19.002 669 H LEU 80 H LEU 80 -16.102 9.303 -11.848 670 HA LEU 80 HA LEU 80 -14.436 10.751 -9.926 671 HB2 LEU 80 2HB LEU 80 -16.621 10.804 -8.615 672 HB3 LEU 80 3HB LEU 80 -16.528 11.761 -10.092 673 HG LEU 80 HG LEU 80 -17.676 9.032 -10.303 674 HD11 LEU 80 1HD1 LEU 80 -19.273 11.333 -9.199 675 HD12 LEU 80 2HD1 LEU 80 -18.648 10.006 -8.219 676 HD13 LEU 80 3HD1 LEU 80 -19.822 9.683 -9.495 677 HD21 LEU 80 3HD2 LEU 80 -17.332 10.824 -12.144 678 HD22 LEU 80 1HD2 LEU 80 -18.763 11.576 -11.440 679 HD23 LEU 80 2HD2 LEU 80 -18.855 9.935 -12.079 680 H GLN 81 H GLN 81 -15.095 7.621 -10.730 681 HA GLN 81 HA GLN 81 -14.716 5.623 -9.710 682 HB2 GLN 81 2HB GLN 81 -12.774 7.129 -8.754 683 HB3 GLN 81 3HB GLN 81 -13.675 6.966 -7.253 684 HG2 GLN 81 2HG GLN 81 -13.502 4.386 -8.318 685 HG3 GLN 81 3HG GLN 81 -11.908 5.106 -8.532 686 HE21 GLN 81 1HE2 GLN 81 -10.651 4.410 -6.960 687 HE22 GLN 81 2HE2 GLN 81 -11.061 4.347 -5.283 688 H ILE 82 H ILE 82 -17.256 6.481 -9.539 689 HA ILE 82 HA ILE 82 -18.079 6.060 -6.749 690 HB ILE 82 HB ILE 82 -18.964 8.084 -7.842 691 HG12 ILE 82 2HG1 ILE 82 -21.329 6.280 -7.563 692 HG13 ILE 82 3HG1 ILE 82 -20.264 6.484 -6.176 693 HG21 ILE 82 1HG2 ILE 82 -19.050 7.376 -10.129 694 HG22 ILE 82 2HG2 ILE 82 -20.215 6.111 -9.744 695 HG23 ILE 82 3HG2 ILE 82 -20.683 7.807 -9.622 696 HD11 ILE 82 3HD1 ILE 82 -21.582 8.217 -5.698 697 HD12 ILE 82 1HD1 ILE 82 -20.659 9.060 -6.942 698 HD13 ILE 82 2HD1 ILE 82 -22.209 8.321 -7.343 699 H SER 83 H SER 83 -18.138 4.670 -9.915 700 HA SER 83 HA SER 83 -19.435 2.289 -8.827 701 HB2 SER 83 2HB SER 83 -20.299 3.357 -11.509 702 HB3 SER 83 3HB SER 83 -21.070 2.116 -10.522 703 HG SER 83 HG SER 83 -22.270 3.871 -10.126 704 H ASP 84 H ASP 84 -17.021 1.875 -8.979 705 HA ASP 84 HA ASP 84 -16.108 1.240 -11.677 706 HB2 ASP 84 2HB ASP 84 -14.790 1.507 -9.007 707 HB3 ASP 84 3HB ASP 84 -14.014 0.514 -10.238 708 H TYR 85 H TYR 85 -18.084 -0.379 -11.389 709 HA TYR 85 HA TYR 85 -18.677 -2.574 -11.523 710 HB2 TYR 85 2HB TYR 85 -15.849 -3.354 -10.848 711 HB3 TYR 85 3HB TYR 85 -17.030 -4.239 -11.808 712 HD1 TYR 85 HD1 TYR 85 -17.941 -2.597 -13.859 713 HD2 TYR 85 HD2 TYR 85 -14.074 -2.578 -12.085 714 HE1 TYR 85 HE1 TYR 85 -17.010 -1.618 -15.914 715 HE2 TYR 85 HE2 TYR 85 -13.132 -1.598 -14.134 716 HH TYR 85 HH TYR 85 -14.479 -1.665 -16.991 717 H GLN 86 H GLN 86 -17.043 -4.583 -9.844 718 HA GLN 86 HA GLN 86 -18.751 -4.831 -7.698 719 HB2 GLN 86 2HB GLN 86 -17.152 -6.357 -6.735 720 HB3 GLN 86 3HB GLN 86 -17.160 -6.572 -8.480 721 HG2 GLN 86 2HG GLN 86 -15.166 -4.936 -8.460 722 HG3 GLN 86 3HG GLN 86 -15.070 -5.330 -6.745 723 HE21 GLN 86 1HE2 GLN 86 -15.271 -7.807 -6.373 724 HE22 GLN 86 2HE2 GLN 86 -14.239 -8.774 -7.365 725 H GLN 87 H GLN 87 -15.847 -2.891 -7.983 726 HA GLN 87 HA GLN 87 -15.400 -2.298 -5.296 727 HB2 GLN 87 2HB GLN 87 -14.177 -1.619 -7.604 728 HB3 GLN 87 3HB GLN 87 -14.986 -0.101 -7.237 729 HG2 GLN 87 2HG GLN 87 -12.778 -0.031 -6.335 730 HG3 GLN 87 3HG GLN 87 -13.927 -0.128 -5.002 731 HE21 GLN 87 1HE2 GLN 87 -11.980 -2.227 -7.093 732 HE22 GLN 87 2HE2 GLN 87 -11.546 -3.350 -5.854 733 H LEU 88 H LEU 88 -17.843 -1.170 -7.478 734 HA LEU 88 HA LEU 88 -18.598 1.234 -6.335 735 HB2 LEU 88 2HB LEU 88 -20.557 1.058 -7.523 736 HB3 LEU 88 3HB LEU 88 -19.496 -0.034 -8.412 737 HG LEU 88 HG LEU 88 -20.613 -1.815 -6.779 738 HD11 LEU 88 1HD1 LEU 88 -22.440 0.534 -6.783 739 HD12 LEU 88 2HD1 LEU 88 -22.090 -0.624 -5.500 740 HD13 LEU 88 3HD1 LEU 88 -23.135 -1.086 -6.844 741 HD21 LEU 88 3HD2 LEU 88 -22.540 -1.659 -8.724 742 HD22 LEU 88 1HD2 LEU 88 -20.983 -2.473 -8.882 743 HD23 LEU 88 2HD2 LEU 88 -21.176 -0.818 -9.462 744 H GLU 89 H GLU 89 -19.023 -2.001 -5.157 745 HA GLU 89 HA GLU 89 -21.110 -1.488 -3.310 746 HB2 GLU 89 2HB GLU 89 -19.486 -3.707 -4.076 747 HB3 GLU 89 3HB GLU 89 -19.435 -3.566 -2.325 748 HG2 GLU 89 2HG GLU 89 -21.881 -3.591 -2.256 749 HG3 GLU 89 3HG GLU 89 -21.921 -3.760 -4.010 750 H SER 90 H SER 90 -17.576 -1.597 -2.963 751 HA SER 90 HA SER 90 -17.548 -0.996 -0.198 752 HB2 SER 90 2HB SER 90 -15.241 -0.981 -0.375 753 HB3 SER 90 3HB SER 90 -15.668 -1.928 -1.800 754 HG SER 90 HG SER 90 -15.095 -0.312 -3.071 755 H ILE 91 H ILE 91 -17.314 1.008 -3.100 756 HA ILE 91 HA ILE 91 -16.775 3.445 -1.776 757 HB ILE 91 HB ILE 91 -18.116 3.007 -4.447 758 HG12 ILE 91 2HG1 ILE 91 -15.331 3.922 -4.377 759 HG13 ILE 91 3HG1 ILE 91 -15.557 2.312 -3.702 760 HG21 ILE 91 1HG2 ILE 91 -17.275 5.423 -2.973 761 HG22 ILE 91 2HG2 ILE 91 -16.883 5.373 -4.691 762 HG23 ILE 91 3HG2 ILE 91 -18.558 5.207 -4.163 763 HD11 ILE 91 3HD1 ILE 91 -17.024 2.493 -6.130 764 HD12 ILE 91 1HD1 ILE 91 -15.380 3.069 -6.409 765 HD13 ILE 91 2HD1 ILE 91 -15.650 1.461 -5.735 766 H TYR 92 H TYR 92 -19.785 1.891 -2.795 767 HA TYR 92 HA TYR 92 -21.492 4.036 -2.088 768 HB2 TYR 92 2HB TYR 92 -22.289 2.355 -3.611 769 HB3 TYR 92 3HB TYR 92 -22.019 1.079 -2.428 770 HD1 TYR 92 HD2 TYR 92 -24.113 4.029 -3.211 771 HD2 TYR 92 HD1 TYR 92 -23.666 0.543 -0.813 772 HE1 TYR 92 HE2 TYR 92 -26.425 4.289 -2.414 773 HE2 TYR 92 HE1 TYR 92 -25.978 0.792 -0.010 774 HH TYR 92 HH TYR 92 -27.846 1.979 -0.117 775 H PHE 93 H PHE 93 -20.314 1.207 -0.343 776 HA PHE 93 HA PHE 93 -21.958 1.498 1.935 777 HB2 PHE 93 2HB PHE 93 -20.219 -0.405 1.081 778 HB3 PHE 93 3HB PHE 93 -19.265 0.357 2.349 779 HD1 PHE 93 HD2 PHE 93 -20.296 0.554 4.661 780 HD2 PHE 93 HD1 PHE 93 -21.892 -1.939 1.601 781 HE1 PHE 93 HE2 PHE 93 -21.516 -0.743 6.358 782 HE2 PHE 93 HE1 PHE 93 -23.115 -3.239 3.294 783 HZ PHE 93 HZ PHE 93 -22.927 -2.643 5.676 784 H ARG 94 H ARG 94 -18.594 2.492 1.327 785 HA ARG 94 HA ARG 94 -18.209 3.759 3.814 786 HB2 ARG 94 2HB ARG 94 -16.244 4.767 2.810 787 HB3 ARG 94 3HB ARG 94 -16.367 3.085 2.312 788 HG2 ARG 94 2HG ARG 94 -17.312 3.802 0.164 789 HG3 ARG 94 3HG ARG 94 -17.139 5.485 0.666 790 HD2 ARG 94 2HD ARG 94 -14.633 4.571 1.109 791 HD3 ARG 94 3HD ARG 94 -15.110 3.558 -0.253 792 HE ARG 94 HE ARG 94 -15.646 6.363 -0.624 793 HH11 ARG 94 1HH1 ARG 94 -13.310 3.806 -0.975 794 HH12 ARG 94 2HH1 ARG 94 -12.422 4.613 -2.225 795 HH21 ARG 94 1HH2 ARG 94 -14.486 7.435 -2.269 796 HH22 ARG 94 2HH2 ARG 94 -13.091 6.677 -2.960 797 H ILE 95 H ILE 95 -19.524 4.878 0.760 798 HA ILE 95 HA ILE 95 -19.581 7.644 1.512 799 HB ILE 95 HB ILE 95 -20.842 6.112 -0.750 800 HG12 ILE 95 2HG1 ILE 95 -18.778 8.321 -0.755 801 HG13 ILE 95 3HG1 ILE 95 -18.379 6.607 -0.762 802 HG21 ILE 95 1HG2 ILE 95 -21.179 9.009 -0.019 803 HG22 ILE 95 2HG2 ILE 95 -21.455 8.394 -1.647 804 HG23 ILE 95 3HG2 ILE 95 -22.432 7.802 -0.304 805 HD11 ILE 95 3HD1 ILE 95 -19.810 8.167 -2.893 806 HD12 ILE 95 1HD1 ILE 95 -18.226 7.398 -2.991 807 HD13 ILE 95 2HD1 ILE 95 -19.682 6.408 -2.885 808 H LEU 96 H LEU 96 -21.688 4.916 1.886 809 HA LEU 96 HA LEU 96 -23.971 6.573 2.598 810 HB2 LEU 96 2HB LEU 96 -24.131 4.419 1.280 811 HB3 LEU 96 3HB LEU 96 -23.752 3.579 2.782 812 HG LEU 96 HG LEU 96 -25.856 5.060 3.588 813 HD11 LEU 96 1HD1 LEU 96 -26.366 6.066 1.503 814 HD12 LEU 96 2HD1 LEU 96 -27.576 4.812 1.771 815 HD13 LEU 96 3HD1 LEU 96 -26.243 4.526 0.652 816 HD21 LEU 96 3HD2 LEU 96 -25.886 2.360 2.247 817 HD22 LEU 96 1HD2 LEU 96 -27.210 3.012 3.214 818 HD23 LEU 96 2HD2 LEU 96 -25.643 2.698 3.962 819 H LEU 97 H LEU 97 -21.263 5.309 4.116 820 HA LEU 97 HA LEU 97 -22.016 4.365 6.556 821 HB2 LEU 97 2HB LEU 97 -19.758 6.114 5.690 822 HB3 LEU 97 3HB LEU 97 -19.976 5.771 7.405 823 HG LEU 97 HG LEU 97 -19.591 3.679 5.265 824 HD11 LEU 97 1HD1 LEU 97 -17.646 5.288 5.833 825 HD12 LEU 97 2HD1 LEU 97 -17.351 3.550 5.822 826 HD13 LEU 97 3HD1 LEU 97 -17.575 4.395 7.353 827 HD21 LEU 97 3HD2 LEU 97 -19.606 3.487 8.275 828 HD22 LEU 97 1HD2 LEU 97 -19.249 2.170 7.157 829 HD23 LEU 97 2HD2 LEU 97 -20.860 2.887 7.190 830 HA PRO 98 HA PRO 98 -24.119 7.470 8.833 831 HB2 PRO 98 2HB PRO 98 -23.108 7.147 11.332 832 HB3 PRO 98 3HB PRO 98 -24.213 5.987 10.586 833 HG2 PRO 98 2HG PRO 98 -21.231 5.878 10.825 834 HG3 PRO 98 3HG PRO 98 -22.421 4.586 11.070 835 HD2 PRO 98 2HD PRO 98 -20.984 4.830 8.788 836 HD3 PRO 98 3HD PRO 98 -22.638 4.187 8.810 837 H TYR 99 H TYR 99 -20.612 7.400 9.348 838 HA TYR 99 HA TYR 99 -20.437 10.033 10.402 839 HB2 TYR 99 2HB TYR 99 -18.217 8.536 9.011 840 HB3 TYR 99 3HB TYR 99 -18.072 9.772 10.256 841 HD1 TYR 99 HD1 TYR 99 -18.886 9.222 12.596 842 HD2 TYR 99 HD2 TYR 99 -18.369 6.261 9.585 843 HE1 TYR 99 HE1 TYR 99 -18.832 7.478 14.329 844 HE2 TYR 99 HE2 TYR 99 -18.315 4.508 11.309 845 HH TYR 99 HH TYR 99 -19.029 5.205 14.661 846 H GLU 100 H GLU 100 -19.949 8.663 7.170 847 HA GLU 100 HA GLU 100 -19.137 11.067 5.930 848 HB2 GLU 100 2HB GLU 100 -18.710 8.907 4.900 849 HB3 GLU 100 3HB GLU 100 -20.436 8.601 4.759 850 HG2 GLU 100 2HG GLU 100 -19.897 9.264 2.631 851 HG3 GLU 100 3HG GLU 100 -20.448 10.776 3.349 852 H ARG 101 H ARG 101 -22.301 9.453 6.106 853 HA ARG 101 HA ARG 101 -23.716 11.379 4.618 854 HB2 ARG 101 2HB ARG 101 -25.712 10.331 5.436 855 HB3 ARG 101 3HB ARG 101 -24.519 9.071 5.153 856 HG2 ARG 101 2HG ARG 101 -24.018 9.011 7.547 857 HG3 ARG 101 3HG ARG 101 -25.230 10.263 7.824 858 HD2 ARG 101 2HD ARG 101 -26.793 8.574 6.556 859 HD3 ARG 101 3HD ARG 101 -25.585 7.399 7.077 860 HE ARG 101 HE ARG 101 -26.433 7.549 9.187 861 HH11 ARG 101 1HH1 ARG 101 -27.386 10.383 7.403 862 HH12 ARG 101 2HH1 ARG 101 -28.397 10.999 8.668 863 HH21 ARG 101 1HH2 ARG 101 -27.762 8.350 10.860 864 HH22 ARG 101 2HH2 ARG 101 -28.610 9.842 10.634 865 H HIS 102 H HIS 102 -22.930 11.135 8.035 866 HA HIS 102 HA HIS 102 -24.638 13.210 8.930 867 HB2 HIS 102 2HB HIS 102 -23.748 11.600 10.503 868 HB3 HIS 102 3HB HIS 102 -22.098 12.082 10.122 869 HD1 HIS 102 HD1 HIS 102 -25.238 13.592 11.637 870 HD2 HIS 102 HD2 HIS 102 -21.105 14.002 11.762 871 HE1 HIS 102 HE1 HIS 102 -24.785 15.289 13.437 872 H MET 103 H MET 103 -21.214 13.153 7.996 873 HA MET 103 HA MET 103 -20.618 15.822 8.575 874 HB2 MET 103 2HB MET 103 -19.376 13.629 7.151 875 HB3 MET 103 3HB MET 103 -19.095 15.155 6.323 876 HG2 MET 103 2HG MET 103 -17.299 14.694 7.862 877 HG3 MET 103 3HG MET 103 -18.206 16.109 8.391 878 HE1 MET 103 3HE MET 103 -17.903 15.288 11.940 879 HE2 MET 103 1HE MET 103 -16.501 15.068 10.892 880 HE3 MET 103 2HE MET 103 -17.642 16.375 10.575 881 H ILE 104 H ILE 104 -21.832 14.332 5.594 882 HA ILE 104 HA ILE 104 -21.924 16.829 4.178 883 HB ILE 104 HB ILE 104 -22.969 15.608 2.383 884 HG12 ILE 104 2HG1 ILE 104 -23.205 13.318 4.347 885 HG13 ILE 104 3HG1 ILE 104 -24.540 14.276 3.717 886 HG21 ILE 104 1HG2 ILE 104 -21.118 14.458 1.790 887 HG22 ILE 104 2HG2 ILE 104 -20.467 15.179 3.262 888 HG23 ILE 104 3HG2 ILE 104 -21.085 13.528 3.288 889 HD11 ILE 104 3HD1 ILE 104 -23.365 13.401 1.427 890 HD12 ILE 104 1HD1 ILE 104 -23.094 12.041 2.517 891 HD13 ILE 104 2HD1 ILE 104 -24.733 12.627 2.228 892 H SER 105 H SER 105 -24.010 15.127 6.311 893 HA SER 105 HA SER 105 -26.513 16.070 5.441 894 HB2 SER 105 2HB SER 105 -25.433 14.753 7.825 895 HB3 SER 105 3HB SER 105 -26.788 15.826 8.174 896 HG SER 105 HG SER 105 -26.790 13.790 6.195 897 H GLN 106 H GLN 106 -24.011 17.513 7.413 898 HA GLN 106 HA GLN 106 -25.424 19.572 8.627 899 HB2 GLN 106 2HB GLN 106 -22.578 19.356 7.681 900 HB3 GLN 106 3HB GLN 106 -23.174 20.821 8.448 901 HG2 GLN 106 2HG GLN 106 -23.993 18.808 10.152 902 HG3 GLN 106 3HG GLN 106 -22.392 18.294 9.622 903 HE21 GLN 106 1HE2 GLN 106 -20.925 20.448 9.436 904 HE22 GLN 106 2HE2 GLN 106 -20.854 21.327 10.922 905 H GLU 107 H GLU 107 -24.079 19.366 5.373 906 HA GLU 107 HA GLU 107 -25.338 21.954 4.748 907 HB2 GLU 107 2HB GLU 107 -22.745 21.382 4.414 908 HB3 GLU 107 3HB GLU 107 -23.353 20.757 2.888 909 HG2 GLU 107 2HG GLU 107 -24.239 22.890 2.286 910 HG3 GLU 107 3HG GLU 107 -23.883 23.544 3.883 911 H GLY 108 H GLY 108 -26.513 19.185 4.795 912 HA2 GLY 108 2HA GLY 108 -28.004 19.431 2.357 913 HA3 GLY 108 3HA GLY 108 -26.922 18.047 2.338 914 H ILE 109 H ILE 109 -28.840 19.435 4.987 915 HA ILE 109 HA ILE 109 -29.617 16.978 6.053 916 HB ILE 109 HB ILE 109 -31.446 18.271 7.191 917 HG12 ILE 109 2HG1 ILE 109 -30.198 20.678 5.865 918 HG13 ILE 109 3HG1 ILE 109 -31.662 19.913 5.257 919 HG21 ILE 109 1HG2 ILE 109 -28.842 19.733 7.434 920 HG22 ILE 109 2HG2 ILE 109 -29.986 19.284 8.697 921 HG23 ILE 109 3HG2 ILE 109 -28.991 18.047 7.929 922 HD11 ILE 109 3HD1 ILE 109 -31.956 21.937 6.739 923 HD12 ILE 109 1HD1 ILE 109 -32.885 20.501 7.170 924 HD13 ILE 109 2HD1 ILE 109 -31.426 20.913 8.074 925 H LYS 110 H LYS 110 -30.881 18.769 3.382 926 HA LYS 110 HA LYS 110 -33.496 17.812 3.255 927 HB2 LYS 110 2HB LYS 110 -33.530 18.544 1.019 928 HB3 LYS 110 3HB LYS 110 -32.374 19.603 1.816 929 HG2 LYS 110 2HG LYS 110 -31.605 17.168 0.226 930 HG3 LYS 110 3HG LYS 110 -31.665 18.806 -0.428 931 HD2 LYS 110 2HD LYS 110 -30.129 19.309 1.667 932 HD3 LYS 110 3HD LYS 110 -29.754 17.592 1.503 933 HE2 LYS 110 2HE LYS 110 -29.571 19.572 -0.761 934 HE3 LYS 110 3HE LYS 110 -28.210 19.145 0.276 935 HZ1 LYS 110 3HZ LYS 110 -29.218 17.764 -1.964 936 HZ2 LYS 110 1HZ LYS 110 -29.339 16.766 -0.603 937 HZ3 LYS 110 2HZ LYS 110 -27.843 17.421 -1.040 938 H GLU 111 H GLU 111 -30.500 16.212 2.657 939 HA GLU 111 HA GLU 111 -31.565 14.103 1.038 940 HB2 GLU 111 2HB GLU 111 -29.067 14.984 1.439 941 HB3 GLU 111 3HB GLU 111 -29.082 13.675 2.612 942 HG2 GLU 111 2HG GLU 111 -30.195 12.659 0.230 943 HG3 GLU 111 3HG GLU 111 -28.742 13.553 -0.212 944 H THR 112 H THR 112 -31.270 14.719 4.435 945 HA THR 112 HA THR 112 -31.483 12.051 5.362 946 HB THR 112 HB THR 112 -32.494 14.442 6.887 947 HG1 THR 112 HG1 THR 112 -30.317 14.767 7.534 948 HG21 THR 112 3HG2 THR 112 -31.250 11.802 7.640 949 HG22 THR 112 1HG2 THR 112 -32.869 12.386 8.024 950 HG23 THR 112 2HG2 THR 112 -31.461 13.129 8.782 951 H GLN 113 H GLN 113 -33.902 14.625 4.932 952 HA GLN 113 HA GLN 113 -36.122 13.164 5.814 953 HB2 GLN 113 2HB GLN 113 -35.660 15.642 4.301 954 HB3 GLN 113 3HB GLN 113 -37.191 14.852 3.948 955 HG2 GLN 113 2HG GLN 113 -36.225 15.639 6.688 956 HG3 GLN 113 3HG GLN 113 -37.392 16.532 5.714 957 HE21 GLN 113 1HE2 GLN 113 -39.388 15.425 5.160 958 HE22 GLN 113 2HE2 GLN 113 -40.048 14.276 6.268 959 H ALA 114 H ALA 114 -34.327 13.002 2.884 960 HA ALA 114 HA ALA 114 -36.264 11.997 1.125 961 HB1 ALA 114 1HB ALA 114 -33.390 11.138 1.064 962 HB2 ALA 114 2HB ALA 114 -34.498 11.392 -0.285 963 HB3 ALA 114 3HB ALA 114 -33.880 12.774 0.620 964 H LYS 115 H LYS 115 -34.411 10.463 3.660 965 HA LYS 115 HA LYS 115 -34.492 8.389 4.590 966 HB2 LYS 115 2HB LYS 115 -37.075 9.102 4.209 967 HB3 LYS 115 3HB LYS 115 -37.017 7.629 3.250 968 HG2 LYS 115 2HG LYS 115 -36.391 6.325 5.126 969 HG3 LYS 115 3HG LYS 115 -36.090 7.763 6.106 970 HD2 LYS 115 2HD LYS 115 -38.788 7.697 5.025 971 HD3 LYS 115 3HD LYS 115 -38.430 6.291 6.030 972 HE2 LYS 115 2HE LYS 115 -37.572 7.903 7.769 973 HE3 LYS 115 3HE LYS 115 -38.245 9.201 6.785 974 HZ1 LYS 115 3HZ LYS 115 -40.141 7.119 7.246 975 HZ2 LYS 115 1HZ LYS 115 -40.275 8.779 7.542 976 HZ3 LYS 115 2HZ LYS 115 -39.568 7.768 8.699 977 H ARG 116 H ARG 116 -34.799 5.966 4.017 978 HA ARG 116 HA ARG 116 -33.391 5.537 1.506 979 HB2 ARG 116 2HB ARG 116 -32.927 3.311 2.348 980 HB3 ARG 116 3HB ARG 116 -32.550 4.501 3.586 981 HG2 ARG 116 2HG ARG 116 -35.221 3.764 4.012 982 HG3 ARG 116 3HG ARG 116 -34.337 2.269 3.698 983 HD2 ARG 116 2HD ARG 116 -32.604 3.277 5.366 984 HD3 ARG 116 3HD ARG 116 -33.963 4.274 5.882 985 HE ARG 116 HE ARG 116 -34.796 2.456 6.969 986 HH11 ARG 116 1HH1 ARG 116 -32.622 1.353 4.483 987 HH12 ARG 116 2HH1 ARG 116 -32.738 -0.314 4.939 988 HH21 ARG 116 1HH2 ARG 116 -34.958 0.264 7.579 989 HH22 ARG 116 2HH2 ARG 116 -34.068 -0.933 6.699 Start of MODEL 11 1 H1 GLN 1 H GLN 1 1.950 0.484 -6.012 2 HA GLN 1 HA GLN 1 0.144 1.535 -4.710 3 HB2 GLN 1 2HB GLN 1 0.014 -0.872 -3.531 4 HB3 GLN 1 3HB GLN 1 0.967 -0.022 -2.321 5 HG2 GLN 1 2HG GLN 1 -1.054 1.752 -2.851 6 HG3 GLN 1 3HG GLN 1 -1.862 0.190 -2.968 7 HE21 GLN 1 1HE2 GLN 1 -2.895 -0.153 -1.137 8 HE22 GLN 1 2HE2 GLN 1 -2.250 0.069 0.450 9 H SER 2 H SER 2 1.141 3.439 -4.576 10 HA SER 2 HA SER 2 2.840 4.049 -2.387 11 HB2 SER 2 2HB SER 2 4.186 2.996 -4.609 12 HB3 SER 2 3HB SER 2 4.443 4.739 -4.700 13 HG SER 2 HG SER 2 5.610 2.980 -3.081 14 H LEU 3 H LEU 3 1.899 5.913 -1.874 15 HA LEU 3 HA LEU 3 1.100 8.038 -1.997 16 HB2 LEU 3 2HB LEU 3 2.755 8.235 -4.507 17 HB3 LEU 3 3HB LEU 3 2.178 9.569 -3.511 18 HG LEU 3 HG LEU 3 4.006 7.531 -2.316 19 HD11 LEU 3 1HD1 LEU 3 4.993 8.238 -4.492 20 HD12 LEU 3 2HD1 LEU 3 5.947 8.695 -3.081 21 HD13 LEU 3 3HD1 LEU 3 4.963 9.902 -3.908 22 HD21 LEU 3 3HD2 LEU 3 3.054 9.139 -0.819 23 HD22 LEU 3 1HD2 LEU 3 3.492 10.470 -1.890 24 HD23 LEU 3 2HD2 LEU 3 4.751 9.553 -1.063 25 H ASN 4 H ASN 4 0.005 9.664 -3.616 26 HA ASN 4 HA ASN 4 -2.281 8.398 -4.634 27 HB2 ASN 4 2HB ASN 4 -2.633 10.682 -5.782 28 HB3 ASN 4 3HB ASN 4 -2.564 10.646 -4.023 29 HD21 ASN 4 1HD2 ASN 4 -1.696 12.520 -3.462 30 HD22 ASN 4 2HD2 ASN 4 -0.209 13.159 -4.067 31 HA PRO 5 HA PRO 5 -1.249 7.157 -8.715 32 HB2 PRO 5 2HB PRO 5 -3.542 7.706 -10.060 33 HB3 PRO 5 3HB PRO 5 -3.400 6.375 -8.906 34 HG2 PRO 5 2HG PRO 5 -4.567 9.104 -8.516 35 HG3 PRO 5 3HG PRO 5 -5.186 7.534 -7.971 36 HD2 PRO 5 2HD PRO 5 -3.858 9.227 -6.327 37 HD3 PRO 5 3HD PRO 5 -3.765 7.463 -6.157 38 H ALA 6 H ALA 6 -2.501 10.407 -8.276 39 HA ALA 6 HA ALA 6 -2.117 12.374 -9.357 40 HB1 ALA 6 1HB ALA 6 0.249 11.551 -8.808 41 HB2 ALA 6 2HB ALA 6 0.362 11.156 -10.524 42 HB3 ALA 6 3HB ALA 6 0.075 12.822 -10.020 43 H LEU 7 H LEU 7 -3.613 10.245 -10.731 44 HA LEU 7 HA LEU 7 -2.956 10.684 -13.541 45 HB2 LEU 7 2HB LEU 7 -4.023 8.539 -12.108 46 HB3 LEU 7 3HB LEU 7 -5.363 9.161 -13.070 47 HG LEU 7 HG LEU 7 -4.215 7.338 -14.211 48 HD11 LEU 7 1HD1 LEU 7 -3.334 9.050 -16.170 49 HD12 LEU 7 2HD1 LEU 7 -4.491 10.033 -15.274 50 HD13 LEU 7 3HD1 LEU 7 -4.991 8.486 -15.957 51 HD21 LEU 7 3HD2 LEU 7 -1.975 7.891 -13.131 52 HD22 LEU 7 1HD2 LEU 7 -1.787 9.097 -14.404 53 HD23 LEU 7 2HD2 LEU 7 -1.948 7.391 -14.823 54 H GLN 8 H GLN 8 -5.590 11.243 -11.244 55 HA GLN 8 HA GLN 8 -6.491 13.494 -12.830 56 HB2 GLN 8 2HB GLN 8 -8.263 11.108 -12.290 57 HB3 GLN 8 3HB GLN 8 -8.866 12.677 -12.807 58 HG2 GLN 8 2HG GLN 8 -7.450 12.478 -14.842 59 HG3 GLN 8 3HG GLN 8 -7.044 10.839 -14.337 60 HE21 GLN 8 1HE2 GLN 8 -8.764 12.314 -16.512 61 HE22 GLN 8 2HE2 GLN 8 -10.168 11.312 -16.602 62 H GLU 9 H GLU 9 -5.277 13.451 -10.341 63 HA GLU 9 HA GLU 9 -7.474 13.956 -8.455 64 HB2 GLU 9 2HB GLU 9 -5.698 13.875 -6.707 65 HB3 GLU 9 3HB GLU 9 -5.882 12.372 -7.599 66 HG2 GLU 9 2HG GLU 9 -3.749 12.405 -8.167 67 HG3 GLU 9 3HG GLU 9 -3.938 13.992 -8.910 68 H LYS 10 H LYS 10 -7.107 15.865 -10.406 69 HA LYS 10 HA LYS 10 -5.368 17.966 -9.610 70 HB2 LYS 10 2HB LYS 10 -7.809 17.968 -11.391 71 HB3 LYS 10 3HB LYS 10 -6.738 19.347 -11.186 72 HG2 LYS 10 2HG LYS 10 -4.867 17.931 -12.022 73 HG3 LYS 10 3HG LYS 10 -6.050 16.669 -12.374 74 HD2 LYS 10 2HD LYS 10 -7.214 18.151 -13.905 75 HD3 LYS 10 3HD LYS 10 -6.105 19.466 -13.508 76 HE2 LYS 10 2HE LYS 10 -5.152 18.698 -15.442 77 HE3 LYS 10 3HE LYS 10 -4.289 17.716 -14.259 78 HZ1 LYS 10 3HZ LYS 10 -4.983 16.239 -15.918 79 HZ2 LYS 10 1HZ LYS 10 -6.533 16.911 -16.011 80 HZ3 LYS 10 2HZ LYS 10 -6.086 16.003 -14.657 81 H ILE 11 H ILE 11 -5.569 19.162 -7.846 82 HA ILE 11 HA ILE 11 -8.157 19.424 -6.541 83 HB ILE 11 HB ILE 11 -6.109 18.895 -5.221 84 HG12 ILE 11 2HG1 ILE 11 -6.575 20.541 -3.413 85 HG13 ILE 11 3HG1 ILE 11 -7.528 21.483 -4.555 86 HG21 ILE 11 1HG2 ILE 11 -5.323 21.766 -5.615 87 HG22 ILE 11 2HG2 ILE 11 -4.398 20.466 -4.866 88 HG23 ILE 11 3HG2 ILE 11 -4.667 20.466 -6.608 89 HD11 ILE 11 3HD1 ILE 11 -9.125 19.711 -4.767 90 HD12 ILE 11 1HD1 ILE 11 -8.128 18.640 -3.783 91 HD13 ILE 11 2HD1 ILE 11 -8.879 20.060 -3.056 92 H SER 12 H SER 12 -9.208 21.355 -6.155 93 HA SER 12 HA SER 12 -9.893 23.496 -6.512 94 HB2 SER 12 2HB SER 12 -7.260 24.455 -7.478 95 HB3 SER 12 3HB SER 12 -8.336 25.144 -6.263 96 HG SER 12 HG SER 12 -6.175 23.964 -5.714 97 H THR 13 H THR 13 -10.618 24.824 -8.195 98 HA THR 13 HA THR 13 -9.715 24.169 -10.904 99 HB THR 13 HB THR 13 -12.610 24.106 -10.033 100 HG1 THR 13 HG1 THR 13 -11.001 22.049 -11.173 101 HG21 THR 13 3HG2 THR 13 -11.344 23.901 -12.763 102 HG22 THR 13 1HG2 THR 13 -12.507 25.104 -12.206 103 HG23 THR 13 2HG2 THR 13 -13.006 23.426 -12.415 104 H GLU 14 H GLU 14 -11.697 26.248 -8.837 105 HA GLU 14 HA GLU 14 -11.175 28.464 -10.709 106 HB2 GLU 14 2HB GLU 14 -13.656 27.571 -9.413 107 HB3 GLU 14 3HB GLU 14 -13.351 29.297 -9.270 108 HG2 GLU 14 2HG GLU 14 -12.862 28.405 -11.958 109 HG3 GLU 14 3HG GLU 14 -14.478 27.943 -11.429 110 H LEU 15 H LEU 15 -10.541 27.223 -7.689 111 HA LEU 15 HA LEU 15 -9.234 28.094 -6.012 112 HB2 LEU 15 2HB LEU 15 -8.789 29.900 -7.955 113 HB3 LEU 15 3HB LEU 15 -9.635 30.915 -6.789 114 HG LEU 15 HG LEU 15 -7.665 29.520 -5.341 115 HD11 LEU 15 1HD1 LEU 15 -6.712 29.152 -7.687 116 HD12 LEU 15 2HD1 LEU 15 -5.646 29.845 -6.466 117 HD13 LEU 15 3HD1 LEU 15 -6.384 30.885 -7.684 118 HD21 LEU 15 3HD2 LEU 15 -6.669 31.860 -5.236 119 HD22 LEU 15 1HD2 LEU 15 -8.334 31.673 -4.685 120 HD23 LEU 15 2HD2 LEU 15 -8.004 32.355 -6.278 121 H ASN 16 H ASN 16 -12.310 29.378 -6.912 122 HA ASN 16 HA ASN 16 -12.816 30.376 -4.209 123 HB2 ASN 16 2HB ASN 16 -13.820 31.005 -6.851 124 HB3 ASN 16 3HB ASN 16 -15.146 30.669 -5.742 125 HD21 ASN 16 1HD2 ASN 16 -14.463 31.660 -3.420 126 HD22 ASN 16 2HD2 ASN 16 -14.119 33.351 -3.506 127 H ASN 17 H ASN 17 -14.105 28.038 -6.546 128 HA ASN 17 HA ASN 17 -16.043 26.993 -4.711 129 HB2 ASN 17 2HB ASN 17 -15.031 26.015 -7.385 130 HB3 ASN 17 3HB ASN 17 -16.293 25.196 -6.470 131 HD21 ASN 17 1HD2 ASN 17 -17.863 27.112 -5.548 132 HD22 ASN 17 2HD2 ASN 17 -18.540 28.052 -6.830 133 H LYS 18 H LYS 18 -12.716 26.461 -5.302 134 HA LYS 18 HA LYS 18 -12.335 23.800 -4.669 135 HB2 LYS 18 2HB LYS 18 -10.498 25.187 -5.399 136 HB3 LYS 18 3HB LYS 18 -10.634 26.196 -3.965 137 HG2 LYS 18 2HG LYS 18 -10.178 23.322 -3.491 138 HG3 LYS 18 3HG LYS 18 -8.847 24.219 -4.225 139 HD2 LYS 18 2HD LYS 18 -8.955 25.852 -2.394 140 HD3 LYS 18 3HD LYS 18 -10.265 24.927 -1.656 141 HE2 LYS 18 2HE LYS 18 -8.582 23.970 -0.501 142 HE3 LYS 18 3HE LYS 18 -8.418 22.987 -1.955 143 HZ1 LYS 18 3HZ LYS 18 -6.894 25.031 -2.627 144 HZ2 LYS 18 1HZ LYS 18 -6.295 23.698 -1.773 145 HZ3 LYS 18 2HZ LYS 18 -6.703 25.118 -0.949 146 H GLN 19 H GLN 19 -12.975 26.516 -2.534 147 HA GLN 19 HA GLN 19 -12.394 25.230 -0.095 148 HB2 GLN 19 2HB GLN 19 -13.821 27.674 -0.941 149 HB3 GLN 19 3HB GLN 19 -14.303 27.018 0.618 150 HG2 GLN 19 2HG GLN 19 -12.117 27.234 1.490 151 HG3 GLN 19 3HG GLN 19 -11.440 27.562 -0.104 152 HE21 GLN 19 1HE2 GLN 19 -10.857 29.590 -0.305 153 HE22 GLN 19 2HE2 GLN 19 -11.682 30.963 0.343 154 H TYR 20 H TYR 20 -15.413 25.572 -1.924 155 HA TYR 20 HA TYR 20 -17.018 24.187 -0.033 156 HB2 TYR 20 2HB TYR 20 -17.354 25.201 -2.800 157 HB3 TYR 20 3HB TYR 20 -18.435 23.905 -2.302 158 HD1 TYR 20 HD2 TYR 20 -17.060 26.778 -0.361 159 HD2 TYR 20 HD1 TYR 20 -20.514 24.885 -1.971 160 HE1 TYR 20 HE2 TYR 20 -18.488 28.417 0.790 161 HE2 TYR 20 HE1 TYR 20 -21.951 26.519 -0.825 162 HH TYR 20 HH TYR 20 -21.653 28.032 1.342 163 H GLU 21 H GLU 21 -15.462 23.214 -3.072 164 HA GLU 21 HA GLU 21 -16.402 20.561 -3.086 165 HB2 GLU 21 2HB GLU 21 -14.700 22.169 -4.684 166 HB3 GLU 21 3HB GLU 21 -13.806 20.709 -4.286 167 HG2 GLU 21 2HG GLU 21 -16.540 20.803 -5.539 168 HG3 GLU 21 3HG GLU 21 -15.026 20.490 -6.386 169 H LEU 22 H LEU 22 -13.382 21.971 -1.863 170 HA LEU 22 HA LEU 22 -12.255 19.533 -0.985 171 HB2 LEU 22 2HB LEU 22 -10.884 21.484 -1.346 172 HB3 LEU 22 3HB LEU 22 -11.764 22.373 -0.105 173 HG LEU 22 HG LEU 22 -10.777 20.147 1.227 174 HD11 LEU 22 1HD1 LEU 22 -9.348 20.042 -0.998 175 HD12 LEU 22 2HD1 LEU 22 -8.644 19.690 0.579 176 HD13 LEU 22 3HD1 LEU 22 -8.406 21.274 -0.158 177 HD21 LEU 22 3HD2 LEU 22 -10.958 22.578 1.912 178 HD22 LEU 22 1HD2 LEU 22 -9.418 22.827 1.089 179 HD23 LEU 22 2HD2 LEU 22 -9.517 21.719 2.458 180 H PHE 23 H PHE 23 -14.457 21.820 0.483 181 HA PHE 23 HA PHE 23 -14.251 21.020 3.155 182 HB2 PHE 23 2HB PHE 23 -16.057 22.619 1.551 183 HB3 PHE 23 3HB PHE 23 -16.941 21.680 2.749 184 HD1 PHE 23 HD1 PHE 23 -15.350 21.636 5.081 185 HD2 PHE 23 HD2 PHE 23 -15.786 24.781 2.247 186 HE1 PHE 23 HE1 PHE 23 -14.744 23.276 6.813 187 HE2 PHE 23 HE2 PHE 23 -15.180 26.426 3.974 188 HZ PHE 23 HZ PHE 23 -14.658 25.674 6.260 189 H MET 24 H MET 24 -16.298 19.795 0.535 190 HA MET 24 HA MET 24 -17.516 17.804 2.229 191 HB2 MET 24 2HB MET 24 -17.904 18.836 -0.470 192 HB3 MET 24 3HB MET 24 -18.059 17.086 -0.393 193 HG2 MET 24 2HG MET 24 -20.220 17.925 -0.070 194 HG3 MET 24 3HG MET 24 -19.657 17.444 1.529 195 HE1 MET 24 3HE MET 24 -18.299 19.430 3.096 196 HE2 MET 24 1HE MET 24 -19.563 20.563 3.575 197 HE3 MET 24 2HE MET 24 -19.908 18.835 3.508 198 H LYS 25 H LYS 25 -14.951 17.947 -0.164 199 HA LYS 25 HA LYS 25 -14.590 15.164 -0.489 200 HB2 LYS 25 2HB LYS 25 -13.684 16.865 -2.041 201 HB3 LYS 25 3HB LYS 25 -12.555 17.380 -0.794 202 HG2 LYS 25 2HG LYS 25 -12.043 14.711 -0.921 203 HG3 LYS 25 3HG LYS 25 -12.451 15.081 -2.599 204 HD2 LYS 25 2HD LYS 25 -10.103 15.379 -2.377 205 HD3 LYS 25 3HD LYS 25 -10.817 16.991 -2.462 206 HE2 LYS 25 2HE LYS 25 -9.617 17.426 -0.625 207 HE3 LYS 25 3HE LYS 25 -10.837 16.482 0.228 208 HZ1 LYS 25 3HZ LYS 25 -8.264 15.458 -0.844 209 HZ2 LYS 25 1HZ LYS 25 -9.448 14.509 -0.097 210 HZ3 LYS 25 2HZ LYS 25 -8.641 15.705 0.786 211 H SER 26 H SER 26 -13.232 17.511 1.767 212 HA SER 26 HA SER 26 -11.346 15.730 2.933 213 HB2 SER 26 2HB SER 26 -10.957 17.438 4.545 214 HB3 SER 26 3HB SER 26 -11.304 18.274 3.032 215 HG SER 26 HG SER 26 -12.535 18.560 5.337 216 H LEU 27 H LEU 27 -14.692 16.545 3.607 217 HA LEU 27 HA LEU 27 -14.819 15.211 6.124 218 HB2 LEU 27 2HB LEU 27 -16.808 16.339 4.209 219 HB3 LEU 27 3HB LEU 27 -17.364 15.275 5.499 220 HG LEU 27 HG LEU 27 -15.836 17.843 5.919 221 HD11 LEU 27 1HD1 LEU 27 -18.698 17.262 5.584 222 HD12 LEU 27 2HD1 LEU 27 -17.807 18.767 5.361 223 HD13 LEU 27 3HD1 LEU 27 -18.285 18.257 6.980 224 HD21 LEU 27 3HD2 LEU 27 -16.227 15.641 7.606 225 HD22 LEU 27 1HD2 LEU 27 -17.359 16.878 8.155 226 HD23 LEU 27 2HD2 LEU 27 -15.637 17.244 8.048 227 H ILE 28 H ILE 28 -15.856 14.341 2.837 228 HA ILE 28 HA ILE 28 -16.834 11.777 3.521 229 HB ILE 28 HB ILE 28 -17.534 12.810 1.458 230 HG12 ILE 28 2HG1 ILE 28 -16.098 10.734 0.079 231 HG13 ILE 28 3HG1 ILE 28 -16.557 10.168 1.681 232 HG21 ILE 28 1HG2 ILE 28 -16.173 13.622 -0.170 233 HG22 ILE 28 2HG2 ILE 28 -15.078 13.794 1.201 234 HG23 ILE 28 3HG2 ILE 28 -14.923 12.412 0.117 235 HD11 ILE 28 3HD1 ILE 28 -18.662 9.902 1.055 236 HD12 ILE 28 1HD1 ILE 28 -18.743 11.539 0.403 237 HD13 ILE 28 2HD1 ILE 28 -18.136 10.220 -0.598 238 H GLU 29 H GLU 29 -13.715 12.882 2.238 239 HA GLU 29 HA GLU 29 -12.559 10.317 1.993 240 HB2 GLU 29 2HB GLU 29 -10.531 11.418 1.557 241 HB3 GLU 29 3HB GLU 29 -11.764 12.523 0.966 242 HG2 GLU 29 2HG GLU 29 -10.419 13.974 2.090 243 HG3 GLU 29 3HG GLU 29 -11.555 13.547 3.368 244 H ASN 30 H ASN 30 -12.816 12.579 4.653 245 HA ASN 30 HA ASN 30 -10.903 11.345 6.346 246 HB2 ASN 30 2HB ASN 30 -13.082 13.352 6.692 247 HB3 ASN 30 3HB ASN 30 -12.445 12.569 8.135 248 HD21 ASN 30 1HD2 ASN 30 -12.234 15.304 7.620 249 HD22 ASN 30 2HD2 ASN 30 -10.563 15.695 7.415 250 H CYS 31 H CYS 31 -14.467 11.223 6.334 251 HA CYS 31 HA CYS 31 -14.657 9.249 8.347 252 HB2 CYS 31 2HB CYS 31 -16.530 10.396 6.320 253 HB3 CYS 31 3HB CYS 31 -16.998 8.926 7.166 254 HG CYS 31 HG CYS 31 -15.910 11.110 9.360 255 H LYS 32 H LYS 32 -14.768 9.056 4.805 256 HA LYS 32 HA LYS 32 -15.232 6.293 4.620 257 HB2 LYS 32 2HB LYS 32 -15.562 7.678 2.691 258 HB3 LYS 32 3HB LYS 32 -13.890 8.225 2.727 259 HG2 LYS 32 2HG LYS 32 -13.139 5.966 2.173 260 HG3 LYS 32 3HG LYS 32 -14.818 5.421 2.132 261 HD2 LYS 32 2HD LYS 32 -15.302 6.812 0.256 262 HD3 LYS 32 3HD LYS 32 -13.746 7.635 0.390 263 HE2 LYS 32 2HE LYS 32 -13.062 4.966 0.170 264 HE3 LYS 32 3HE LYS 32 -14.431 5.135 -0.928 265 HZ1 LYS 32 3HZ LYS 32 -12.258 5.566 -1.982 266 HZ2 LYS 32 1HZ LYS 32 -12.040 6.894 -0.957 267 HZ3 LYS 32 2HZ LYS 32 -13.308 6.889 -2.076 268 H LYS 33 H LYS 33 -12.326 8.134 5.176 269 HA LYS 33 HA LYS 33 -10.406 6.207 4.505 270 HB2 LYS 33 2HB LYS 33 -10.488 8.716 5.993 271 HB3 LYS 33 3HB LYS 33 -9.317 7.581 6.651 272 HG2 LYS 33 2HG LYS 33 -8.277 7.379 4.446 273 HG3 LYS 33 3HG LYS 33 -9.448 8.528 3.794 274 HD2 LYS 33 2HD LYS 33 -8.618 10.246 5.321 275 HD3 LYS 33 3HD LYS 33 -7.461 9.096 5.995 276 HE2 LYS 33 2HE LYS 33 -7.498 9.687 3.059 277 HE3 LYS 33 3HE LYS 33 -6.673 10.768 4.181 278 HZ1 LYS 33 3HZ LYS 33 -5.014 9.319 4.473 279 HZ2 LYS 33 1HZ LYS 33 -5.562 8.600 3.043 280 HZ3 LYS 33 2HZ LYS 33 -6.041 7.977 4.541 281 H ARG 34 H ARG 34 -12.650 6.309 7.075 282 HA ARG 34 HA ARG 34 -11.152 4.681 8.909 283 HB2 ARG 34 2HB ARG 34 -14.116 5.279 8.859 284 HB3 ARG 34 3HB ARG 34 -13.214 4.602 10.208 285 HG2 ARG 34 2HG ARG 34 -12.469 7.264 9.072 286 HG3 ARG 34 3HG ARG 34 -13.804 7.111 10.216 287 HD2 ARG 34 2HD ARG 34 -12.251 5.978 11.789 288 HD3 ARG 34 3HD ARG 34 -10.935 6.300 10.661 289 HE ARG 34 HE ARG 34 -12.212 8.720 11.226 290 HH11 ARG 34 1HH1 ARG 34 -10.287 6.307 12.836 291 HH12 ARG 34 2HH1 ARG 34 -9.601 7.423 13.970 292 HH21 ARG 34 1HH2 ARG 34 -11.316 10.199 12.713 293 HH22 ARG 34 2HH2 ARG 34 -10.188 9.637 13.900 294 H ASN 35 H ASN 35 -12.566 4.021 6.010 295 HA ASN 35 HA ASN 35 -12.919 1.191 6.728 296 HB2 ASN 35 2HB ASN 35 -14.816 3.011 5.369 297 HB3 ASN 35 3HB ASN 35 -14.635 1.415 4.646 298 HD21 ASN 35 1HD2 ASN 35 -15.305 -0.392 5.774 299 HD22 ASN 35 2HD2 ASN 35 -16.305 -0.290 7.180 300 H MET 36 H MET 36 -12.431 3.491 4.062 301 HA MET 36 HA MET 36 -10.598 1.545 2.839 302 HB2 MET 36 2HB MET 36 -12.749 1.519 1.623 303 HB3 MET 36 3HB MET 36 -12.595 3.248 1.336 304 HG2 MET 36 2HG MET 36 -10.340 2.603 0.232 305 HG3 MET 36 3HG MET 36 -11.045 0.990 0.155 306 HE1 MET 36 3HE MET 36 -11.046 0.541 -2.006 307 HE2 MET 36 1HE MET 36 -12.799 0.376 -2.125 308 HE3 MET 36 2HE MET 36 -11.918 1.316 -3.330 309 HA PRO 37 HA PRO 37 -8.582 5.685 3.421 310 HB2 PRO 37 2HB PRO 37 -6.266 4.675 4.414 311 HB3 PRO 37 3HB PRO 37 -7.669 5.034 5.427 312 HG2 PRO 37 2HG PRO 37 -6.761 2.409 4.311 313 HG3 PRO 37 3HG PRO 37 -7.368 2.785 5.934 314 HD2 PRO 37 2HD PRO 37 -8.916 1.645 4.027 315 HD3 PRO 37 3HD PRO 37 -9.571 2.747 5.255 316 H LEU 38 H LEU 38 -6.697 6.529 2.348 317 HA LEU 38 HA LEU 38 -5.811 4.849 0.096 318 HB2 LEU 38 2HB LEU 38 -6.961 7.467 0.176 319 HB3 LEU 38 3HB LEU 38 -5.328 7.569 -0.477 320 HG LEU 38 HG LEU 38 -6.911 7.364 -2.280 321 HD11 LEU 38 1HD1 LEU 38 -6.026 5.388 -3.398 322 HD12 LEU 38 2HD1 LEU 38 -5.420 4.778 -1.859 323 HD13 LEU 38 3HD1 LEU 38 -4.751 6.258 -2.545 324 HD21 LEU 38 3HD2 LEU 38 -8.302 5.703 -0.509 325 HD22 LEU 38 1HD2 LEU 38 -7.819 4.670 -1.854 326 HD23 LEU 38 2HD2 LEU 38 -8.755 6.133 -2.159 327 H GLN 39 H GLN 39 -3.745 6.287 -0.877 328 HA GLN 39 HA GLN 39 -1.669 5.713 0.998 329 HB2 GLN 39 2HB GLN 39 -1.846 6.573 -1.823 330 HB3 GLN 39 3HB GLN 39 -0.393 7.074 -0.967 331 HG2 GLN 39 2HG GLN 39 -1.378 4.237 -1.131 332 HG3 GLN 39 3HG GLN 39 -0.156 4.938 -2.191 333 HE21 GLN 39 1HE2 GLN 39 -0.730 3.335 0.698 334 HE22 GLN 39 2HE2 GLN 39 0.839 3.499 1.400 335 H SER 40 H SER 40 -3.437 8.547 0.085 336 HA SER 40 HA SER 40 -2.473 10.050 2.273 337 HB2 SER 40 2HB SER 40 -1.074 10.379 -0.312 338 HB3 SER 40 3HB SER 40 -1.557 11.875 0.488 339 HG SER 40 HG SER 40 -0.518 10.912 2.412 340 H ILE 41 H ILE 41 -3.231 11.154 -1.017 341 HA ILE 41 HA ILE 41 -5.697 12.358 0.057 342 HB ILE 41 HB ILE 41 -4.041 13.293 -2.290 343 HG12 ILE 41 2HG1 ILE 41 -4.248 15.282 -0.304 344 HG13 ILE 41 3HG1 ILE 41 -3.844 13.792 0.542 345 HG21 ILE 41 1HG2 ILE 41 -5.688 15.348 -1.691 346 HG22 ILE 41 2HG2 ILE 41 -6.030 14.134 -2.923 347 HG23 ILE 41 3HG2 ILE 41 -6.729 13.976 -1.312 348 HD11 ILE 41 3HD1 ILE 41 -2.087 13.657 -1.475 349 HD12 ILE 41 1HD1 ILE 41 -2.245 15.407 -1.327 350 HD13 ILE 41 2HD1 ILE 41 -1.748 14.445 0.065 351 HA PRO 42 HA PRO 42 -7.357 9.239 -2.796 352 HB2 PRO 42 2HB PRO 42 -9.810 9.186 -1.634 353 HB3 PRO 42 3HB PRO 42 -8.429 8.281 -1.004 354 HG2 PRO 42 2HG PRO 42 -9.543 10.907 -0.098 355 HG3 PRO 42 3HG PRO 42 -8.981 9.535 0.874 356 HD2 PRO 42 2HD PRO 42 -7.465 11.739 0.450 357 HD3 PRO 42 3HD PRO 42 -6.763 10.120 0.645 358 H GLU 43 H GLU 43 -7.724 10.143 -4.739 359 HA GLU 43 HA GLU 43 -10.150 11.684 -5.110 360 HB2 GLU 43 2HB GLU 43 -8.358 13.365 -4.610 361 HB3 GLU 43 3HB GLU 43 -7.507 12.810 -6.045 362 HG2 GLU 43 2HG GLU 43 -8.848 14.884 -6.358 363 HG3 GLU 43 3HG GLU 43 -9.237 13.577 -7.474 364 H ILE 44 H ILE 44 -11.009 11.484 -7.146 365 HA ILE 44 HA ILE 44 -9.419 10.200 -9.231 366 HB ILE 44 HB ILE 44 -12.058 9.074 -8.287 367 HG12 ILE 44 2HG1 ILE 44 -10.406 7.011 -8.053 368 HG13 ILE 44 3HG1 ILE 44 -9.208 8.287 -7.866 369 HG21 ILE 44 1HG2 ILE 44 -10.464 8.720 -10.738 370 HG22 ILE 44 2HG2 ILE 44 -11.065 7.240 -9.993 371 HG23 ILE 44 3HG2 ILE 44 -12.194 8.509 -10.466 372 HD11 ILE 44 3HD1 ILE 44 -11.083 7.258 -5.966 373 HD12 ILE 44 1HD1 ILE 44 -9.748 8.385 -5.727 374 HD13 ILE 44 2HD1 ILE 44 -11.338 8.988 -6.196 375 H GLY 45 H GLY 45 -9.652 11.450 -10.959 376 HA2 GLY 45 2HA GLY 45 -10.984 12.217 -12.784 377 HA3 GLY 45 3HA GLY 45 -12.352 12.348 -11.689 378 H ASN 46 H ASN 46 -12.384 14.107 -10.163 379 HA ASN 46 HA ASN 46 -10.513 16.166 -10.039 380 HB2 ASN 46 2HB ASN 46 -11.919 17.879 -11.396 381 HB3 ASN 46 3HB ASN 46 -10.825 16.804 -12.262 382 HD21 ASN 46 1HD2 ASN 46 -11.777 16.466 -14.151 383 HD22 ASN 46 2HD2 ASN 46 -13.396 15.904 -14.372 384 H ARG 47 H ARG 47 -12.173 14.834 -8.253 385 HA ARG 47 HA ARG 47 -13.491 15.230 -6.442 386 HB2 ARG 47 2HB ARG 47 -13.364 18.149 -7.205 387 HB3 ARG 47 3HB ARG 47 -13.693 17.473 -5.616 388 HG2 ARG 47 2HG ARG 47 -11.539 17.697 -5.160 389 HG3 ARG 47 3HG ARG 47 -11.215 16.429 -6.344 390 HD2 ARG 47 2HD ARG 47 -9.896 18.468 -6.758 391 HD3 ARG 47 3HD ARG 47 -10.974 18.076 -8.097 392 HE ARG 47 HE ARG 47 -12.168 19.905 -6.264 393 HH11 ARG 47 1HH1 ARG 47 -9.922 19.656 -8.913 394 HH12 ARG 47 2HH1 ARG 47 -10.146 21.295 -9.428 395 HH21 ARG 47 1HH2 ARG 47 -12.471 22.065 -6.933 396 HH22 ARG 47 2HH2 ARG 47 -11.595 22.664 -8.300 397 H LYS 48 H LYS 48 -15.453 14.392 -6.762 398 HA LYS 48 HA LYS 48 -17.503 16.109 -7.957 399 HB2 LYS 48 2HB LYS 48 -17.290 13.174 -8.630 400 HB3 LYS 48 3HB LYS 48 -18.395 14.354 -9.322 401 HG2 LYS 48 2HG LYS 48 -16.075 15.511 -9.973 402 HG3 LYS 48 3HG LYS 48 -15.556 13.824 -9.932 403 HD2 LYS 48 2HD LYS 48 -17.860 13.587 -11.317 404 HD3 LYS 48 3HD LYS 48 -17.368 15.212 -11.802 405 HE2 LYS 48 2HE LYS 48 -15.094 13.485 -11.868 406 HE3 LYS 48 3HE LYS 48 -16.413 12.730 -12.761 407 HZ1 LYS 48 3HZ LYS 48 -14.736 14.698 -13.673 408 HZ2 LYS 48 1HZ LYS 48 -16.192 15.502 -13.370 409 HZ3 LYS 48 2HZ LYS 48 -16.163 14.171 -14.412 410 H ILE 49 H ILE 49 -16.566 14.753 -5.280 411 HA ILE 49 HA ILE 49 -18.967 13.316 -4.523 412 HB ILE 49 HB ILE 49 -16.727 14.165 -2.694 413 HG12 ILE 49 2HG1 ILE 49 -16.207 11.553 -3.235 414 HG13 ILE 49 3HG1 ILE 49 -16.804 12.093 -4.800 415 HG21 ILE 49 1HG2 ILE 49 -17.835 11.634 -2.069 416 HG22 ILE 49 2HG2 ILE 49 -17.919 13.129 -1.138 417 HG23 ILE 49 3HG2 ILE 49 -19.168 12.759 -2.326 418 HD11 ILE 49 3HD1 ILE 49 -14.724 12.753 -5.193 419 HD12 ILE 49 1HD1 ILE 49 -15.046 14.079 -4.077 420 HD13 ILE 49 2HD1 ILE 49 -14.269 12.606 -3.496 421 H ASN 50 H ASN 50 -18.112 16.518 -4.758 422 HA ASN 50 HA ASN 50 -19.346 17.530 -2.383 423 HB2 ASN 50 2HB ASN 50 -17.614 18.812 -3.543 424 HB3 ASN 50 3HB ASN 50 -18.635 18.923 -4.974 425 HD21 ASN 50 1HD2 ASN 50 -19.450 19.289 -1.555 426 HD22 ASN 50 2HD2 ASN 50 -20.024 20.914 -1.685 427 H LEU 51 H LEU 51 -21.308 18.728 -2.258 428 HA LEU 51 HA LEU 51 -23.459 17.527 -3.692 429 HB2 LEU 51 2HB LEU 51 -23.300 19.786 -1.717 430 HB3 LEU 51 3HB LEU 51 -24.818 19.295 -2.465 431 HG LEU 51 HG LEU 51 -23.430 17.047 -1.270 432 HD11 LEU 51 1HD1 LEU 51 -23.738 17.703 1.057 433 HD12 LEU 51 2HD1 LEU 51 -24.210 19.324 0.547 434 HD13 LEU 51 3HD1 LEU 51 -22.568 18.750 0.253 435 HD21 LEU 51 3HD2 LEU 51 -25.902 17.450 -2.002 436 HD22 LEU 51 1HD2 LEU 51 -26.063 18.143 -0.387 437 HD23 LEU 51 2HD2 LEU 51 -25.550 16.466 -0.580 438 H PHE 52 H PHE 52 -21.552 20.379 -4.108 439 HA PHE 52 HA PHE 52 -23.453 21.574 -5.963 440 HB2 PHE 52 2HB PHE 52 -21.740 22.724 -4.223 441 HB3 PHE 52 3HB PHE 52 -20.738 22.726 -5.670 442 HD1 PHE 52 HD2 PHE 52 -21.471 23.952 -7.679 443 HD2 PHE 52 HD1 PHE 52 -23.610 24.170 -4.006 444 HE1 PHE 52 HE2 PHE 52 -22.631 25.968 -8.479 445 HE2 PHE 52 HE1 PHE 52 -24.775 26.187 -4.800 446 HZ PHE 52 HZ PHE 52 -24.285 27.089 -7.039 447 H TYR 53 H TYR 53 -20.363 19.913 -5.964 448 HA TYR 53 HA TYR 53 -19.786 20.382 -8.719 449 HB2 TYR 53 2HB TYR 53 -18.158 19.729 -6.823 450 HB3 TYR 53 3HB TYR 53 -18.693 18.079 -7.120 451 HD1 TYR 53 HD2 TYR 53 -18.623 17.376 -9.691 452 HD2 TYR 53 HD1 TYR 53 -16.281 20.467 -7.941 453 HE1 TYR 53 HE2 TYR 53 -16.996 17.173 -11.524 454 HE2 TYR 53 HE1 TYR 53 -14.648 20.273 -9.770 455 HH TYR 53 HH TYR 53 -15.170 18.033 -12.469 456 H LEU 54 H LEU 54 -21.020 17.569 -6.923 457 HA LEU 54 HA LEU 54 -21.358 15.883 -9.140 458 HB2 LEU 54 2HB LEU 54 -21.431 15.324 -6.646 459 HB3 LEU 54 3HB LEU 54 -23.117 15.834 -6.707 460 HG LEU 54 HG LEU 54 -23.510 14.074 -8.434 461 HD11 LEU 54 1HD1 LEU 54 -20.807 14.011 -8.683 462 HD12 LEU 54 2HD1 LEU 54 -21.896 12.736 -9.227 463 HD13 LEU 54 3HD1 LEU 54 -21.095 12.603 -7.662 464 HD21 LEU 54 3HD2 LEU 54 -24.239 13.502 -6.299 465 HD22 LEU 54 1HD2 LEU 54 -22.599 13.404 -5.659 466 HD23 LEU 54 2HD2 LEU 54 -23.195 12.153 -6.750 467 H TYR 55 H TYR 55 -23.327 18.452 -7.853 468 HA TYR 55 HA TYR 55 -25.689 17.750 -9.323 469 HB2 TYR 55 2HB TYR 55 -25.922 19.003 -7.268 470 HB3 TYR 55 3HB TYR 55 -24.891 20.289 -7.887 471 HD1 TYR 55 HD2 TYR 55 -28.119 18.552 -8.554 472 HD2 TYR 55 HD1 TYR 55 -25.844 22.125 -8.957 473 HE1 TYR 55 HE2 TYR 55 -30.103 19.710 -9.433 474 HE2 TYR 55 HE1 TYR 55 -27.823 23.293 -9.836 475 HH TYR 55 HH TYR 55 -30.862 21.577 -10.414 476 H MET 56 H MET 56 -23.194 20.266 -9.653 477 HA MET 56 HA MET 56 -24.190 21.460 -11.976 478 HB2 MET 56 2HB MET 56 -22.451 22.497 -10.618 479 HB3 MET 56 3HB MET 56 -21.329 21.208 -11.031 480 HG2 MET 56 2HG MET 56 -20.785 23.108 -12.348 481 HG3 MET 56 3HG MET 56 -21.506 21.900 -13.409 482 HE1 MET 56 3HE MET 56 -23.859 23.961 -15.326 483 HE2 MET 56 1HE MET 56 -22.197 23.373 -15.375 484 HE3 MET 56 2HE MET 56 -23.502 22.289 -14.891 485 H LEU 57 H LEU 57 -22.077 18.674 -11.533 486 HA LEU 57 HA LEU 57 -21.328 18.336 -14.224 487 HB2 LEU 57 2HB LEU 57 -20.406 17.230 -12.085 488 HB3 LEU 57 3HB LEU 57 -21.698 16.054 -12.315 489 HG LEU 57 HG LEU 57 -20.690 15.725 -14.663 490 HD11 LEU 57 1HD1 LEU 57 -18.218 16.133 -14.678 491 HD12 LEU 57 2HD1 LEU 57 -18.444 17.150 -13.255 492 HD13 LEU 57 3HD1 LEU 57 -19.214 17.586 -14.780 493 HD21 LEU 57 3HD2 LEU 57 -19.519 14.795 -12.070 494 HD22 LEU 57 1HD2 LEU 57 -18.845 14.255 -13.609 495 HD23 LEU 57 2HD2 LEU 57 -20.532 13.918 -13.218 496 H VAL 58 H VAL 58 -23.958 16.867 -12.334 497 HA VAL 58 HA VAL 58 -25.011 15.258 -14.368 498 HB VAL 58 HB VAL 58 -26.473 16.557 -12.064 499 HG11 VAL 58 1HG1 VAL 58 -27.921 14.416 -12.448 500 HG12 VAL 58 2HG1 VAL 58 -28.197 15.861 -13.424 501 HG13 VAL 58 3HG1 VAL 58 -27.273 14.512 -14.086 502 HG21 VAL 58 3HG2 VAL 58 -25.666 14.965 -10.709 503 HG22 VAL 58 1HG2 VAL 58 -25.850 13.705 -11.929 504 HG23 VAL 58 2HG2 VAL 58 -24.425 14.744 -11.942 505 H GLN 59 H GLN 59 -25.939 18.540 -13.348 506 HA GLN 59 HA GLN 59 -27.995 18.926 -15.199 507 HB2 GLN 59 2HB GLN 59 -27.130 20.374 -13.159 508 HB3 GLN 59 3HB GLN 59 -26.257 21.225 -14.427 509 HG2 GLN 59 2HG GLN 59 -28.776 21.059 -15.471 510 HG3 GLN 59 3HG GLN 59 -29.092 21.260 -13.749 511 HE21 GLN 59 1HE2 GLN 59 -27.896 23.050 -12.687 512 HE22 GLN 59 2HE2 GLN 59 -27.689 24.516 -13.577 513 H LYS 60 H LYS 60 -24.520 19.310 -15.501 514 HA LYS 60 HA LYS 60 -24.584 20.642 -18.020 515 HB2 LYS 60 2HB LYS 60 -22.637 20.853 -16.607 516 HB3 LYS 60 3HB LYS 60 -22.392 19.111 -16.610 517 HG2 LYS 60 2HG LYS 60 -20.809 20.206 -18.080 518 HG3 LYS 60 3HG LYS 60 -21.910 19.183 -19.006 519 HD2 LYS 60 2HD LYS 60 -23.071 21.015 -19.871 520 HD3 LYS 60 3HD LYS 60 -22.467 22.106 -18.622 521 HE2 LYS 60 2HE LYS 60 -21.121 22.763 -20.331 522 HE3 LYS 60 3HE LYS 60 -20.139 21.433 -19.718 523 HZ1 LYS 60 3HZ LYS 60 -21.456 20.033 -21.395 524 HZ2 LYS 60 1HZ LYS 60 -20.231 21.042 -21.982 525 HZ3 LYS 60 2HZ LYS 60 -21.850 21.510 -22.118 526 H PHE 61 H PHE 61 -24.444 17.285 -17.000 527 HA PHE 61 HA PHE 61 -23.910 16.253 -19.619 528 HB2 PHE 61 2HB PHE 61 -24.259 15.185 -16.929 529 HB3 PHE 61 3HB PHE 61 -25.021 14.176 -18.154 530 HD1 PHE 61 HD1 PHE 61 -21.834 15.655 -17.048 531 HD2 PHE 61 HD2 PHE 61 -23.730 12.878 -19.657 532 HE1 PHE 61 HE1 PHE 61 -19.643 14.682 -17.599 533 HE2 PHE 61 HE2 PHE 61 -21.542 11.899 -20.211 534 HZ PHE 61 HZ PHE 61 -19.495 12.801 -19.182 535 H GLY 62 H GLY 62 -26.627 17.583 -18.200 536 HA2 GLY 62 2HA GLY 62 -28.623 17.928 -19.459 537 HA3 GLY 62 3HA GLY 62 -28.326 16.407 -20.288 538 H GLY 63 H GLY 63 -27.970 16.578 -16.840 539 HA2 GLY 63 2HA GLY 63 -29.420 15.943 -15.127 540 HA3 GLY 63 3HA GLY 63 -30.674 15.660 -16.326 541 H ALA 64 H ALA 64 -29.945 13.969 -14.101 542 HA ALA 64 HA ALA 64 -28.337 11.809 -14.701 543 HB1 ALA 64 1HB ALA 64 -29.270 12.048 -12.513 544 HB2 ALA 64 2HB ALA 64 -30.912 11.889 -13.139 545 HB3 ALA 64 3HB ALA 64 -29.817 10.506 -13.173 546 H ASP 65 H ASP 65 -31.557 12.547 -15.854 547 HA ASP 65 HA ASP 65 -32.218 10.013 -16.891 548 HB2 ASP 65 2HB ASP 65 -33.110 12.656 -18.045 549 HB3 ASP 65 3HB ASP 65 -33.963 11.116 -18.090 550 H GLN 66 H GLN 66 -30.416 12.725 -18.228 551 HA GLN 66 HA GLN 66 -30.250 11.718 -20.876 552 HB2 GLN 66 2HB GLN 66 -29.885 14.085 -20.347 553 HB3 GLN 66 3HB GLN 66 -28.444 13.664 -19.430 554 HG2 GLN 66 2HG GLN 66 -27.180 13.402 -21.273 555 HG3 GLN 66 3HG GLN 66 -28.506 12.727 -22.219 556 HE21 GLN 66 1HE2 GLN 66 -30.375 14.595 -22.255 557 HE22 GLN 66 2HE2 GLN 66 -29.798 16.064 -22.958 558 H VAL 67 H VAL 67 -28.214 11.403 -18.016 559 HA VAL 67 HA VAL 67 -26.037 10.122 -19.300 560 HB VAL 67 HB VAL 67 -26.845 9.811 -16.408 561 HG11 VAL 67 1HG1 VAL 67 -24.015 9.952 -17.140 562 HG12 VAL 67 2HG1 VAL 67 -24.855 8.840 -16.058 563 HG13 VAL 67 3HG1 VAL 67 -24.862 8.553 -17.799 564 HG21 VAL 67 3HG2 VAL 67 -24.983 11.716 -16.296 565 HG22 VAL 67 1HG2 VAL 67 -25.668 12.100 -17.875 566 HG23 VAL 67 2HG2 VAL 67 -26.702 12.080 -16.447 567 H THR 68 H THR 68 -28.968 8.930 -17.741 568 HA THR 68 HA THR 68 -28.208 6.163 -18.031 569 HB THR 68 HB THR 68 -29.625 6.851 -16.150 570 HG1 THR 68 HG1 THR 68 -29.840 4.711 -16.945 571 HG21 THR 68 3HG2 THR 68 -31.769 7.376 -18.210 572 HG22 THR 68 1HG2 THR 68 -30.859 8.636 -17.378 573 HG23 THR 68 2HG2 THR 68 -31.908 7.554 -16.461 574 H ARG 69 H ARG 69 -30.029 8.519 -19.832 575 HA ARG 69 HA ARG 69 -31.613 6.893 -21.429 576 HB2 ARG 69 2HB ARG 69 -31.821 9.316 -21.438 577 HB3 ARG 69 3HB ARG 69 -30.219 9.477 -22.144 578 HG2 ARG 69 2HG ARG 69 -32.009 9.799 -23.787 579 HG3 ARG 69 3HG ARG 69 -30.970 8.430 -24.186 580 HD2 ARG 69 2HD ARG 69 -33.295 7.850 -24.549 581 HD3 ARG 69 3HD ARG 69 -32.633 6.905 -23.216 582 HE ARG 69 HE ARG 69 -33.908 9.271 -22.286 583 HH11 ARG 69 1HH1 ARG 69 -34.526 6.053 -23.461 584 HH12 ARG 69 2HH1 ARG 69 -36.038 5.900 -22.629 585 HH21 ARG 69 1HH2 ARG 69 -35.897 9.081 -21.186 586 HH22 ARG 69 2HH2 ARG 69 -36.818 7.623 -21.336 587 H THR 70 H THR 70 -28.215 7.782 -21.783 588 HA THR 70 HA THR 70 -28.013 6.016 -24.123 589 HB THR 70 HB THR 70 -25.776 7.072 -24.465 590 HG1 THR 70 HG1 THR 70 -25.662 7.768 -22.167 591 HG21 THR 70 3HG2 THR 70 -28.154 7.952 -25.285 592 HG22 THR 70 1HG2 THR 70 -26.657 8.805 -25.660 593 HG23 THR 70 2HG2 THR 70 -27.673 9.351 -24.326 594 H GLN 71 H GLN 71 -27.833 5.656 -20.952 595 HA GLN 71 HA GLN 71 -26.767 4.256 -19.508 596 HB2 GLN 71 2HB GLN 71 -27.448 2.756 -21.569 597 HB3 GLN 71 3HB GLN 71 -25.707 2.656 -21.798 598 HG2 GLN 71 2HG GLN 71 -25.594 1.938 -19.359 599 HG3 GLN 71 3HG GLN 71 -27.339 1.714 -19.468 600 HE21 GLN 71 1HE2 GLN 71 -26.860 -0.514 -18.973 601 HE22 GLN 71 2HE2 GLN 71 -26.383 -1.586 -20.241 602 H GLN 72 H GLN 72 -25.315 6.474 -19.904 603 HA GLN 72 HA GLN 72 -22.553 5.552 -20.326 604 HB2 GLN 72 2HB GLN 72 -23.881 8.222 -20.631 605 HB3 GLN 72 3HB GLN 72 -22.148 8.131 -20.346 606 HG2 GLN 72 2HG GLN 72 -23.327 6.483 -22.522 607 HG3 GLN 72 3HG GLN 72 -23.128 8.216 -22.774 608 HE21 GLN 72 1HE2 GLN 72 -21.730 7.121 -24.499 609 HE22 GLN 72 2HE2 GLN 72 -20.065 6.906 -24.089 610 H TRP 73 H TRP 73 -24.615 5.830 -17.888 611 HA TRP 73 HA TRP 73 -23.410 7.454 -15.965 612 HB2 TRP 73 2HB TRP 73 -24.522 5.876 -14.310 613 HB3 TRP 73 3HB TRP 73 -25.583 6.617 -15.506 614 HD1 TRP 73 HD1 TRP 73 -26.757 5.025 -17.261 615 HE1 TRP 73 HE1 TRP 73 -27.009 2.468 -17.411 616 HE3 TRP 73 HE3 TRP 73 -23.254 3.659 -13.796 617 HZ2 TRP 73 HZ2 TRP 73 -25.873 0.175 -16.219 618 HZ3 TRP 73 HZ3 TRP 73 -22.899 1.264 -13.359 619 HH2 TRP 73 HH2 TRP 73 -24.183 -0.441 -14.546 620 H SER 74 H SER 74 -22.703 4.150 -16.948 621 HA SER 74 HA SER 74 -20.928 3.526 -14.840 622 HB2 SER 74 2HB SER 74 -21.746 1.684 -16.066 623 HB3 SER 74 3HB SER 74 -21.319 2.414 -17.613 624 HG SER 74 HG SER 74 -19.870 0.731 -16.903 625 H MET 75 H MET 75 -20.493 5.080 -17.963 626 HA MET 75 HA MET 75 -17.650 5.066 -17.922 627 HB2 MET 75 2HB MET 75 -19.599 5.723 -19.773 628 HB3 MET 75 3HB MET 75 -18.860 7.274 -19.400 629 HG2 MET 75 2HG MET 75 -17.537 6.600 -21.122 630 HG3 MET 75 3HG MET 75 -16.633 5.940 -19.761 631 HE1 MET 75 3HE MET 75 -16.271 2.446 -20.333 632 HE2 MET 75 1HE MET 75 -15.386 3.652 -21.268 633 HE3 MET 75 2HE MET 75 -15.812 3.977 -19.588 634 H VAL 76 H VAL 76 -20.074 7.536 -17.109 635 HA VAL 76 HA VAL 76 -18.169 9.494 -16.319 636 HB VAL 76 HB VAL 76 -20.425 10.135 -16.994 637 HG11 VAL 76 1HG1 VAL 76 -21.532 8.124 -15.982 638 HG12 VAL 76 2HG1 VAL 76 -21.406 8.926 -14.416 639 HG13 VAL 76 3HG1 VAL 76 -22.367 9.652 -15.705 640 HG21 VAL 76 3HG2 VAL 76 -19.107 11.567 -15.448 641 HG22 VAL 76 1HG2 VAL 76 -20.852 11.774 -15.287 642 HG23 VAL 76 2HG2 VAL 76 -19.962 10.826 -14.095 643 H ALA 77 H ALA 77 -20.061 7.071 -14.577 644 HA ALA 77 HA ALA 77 -19.538 7.843 -11.964 645 HB1 ALA 77 1HB ALA 77 -21.113 6.161 -12.167 646 HB2 ALA 77 2HB ALA 77 -20.096 5.195 -13.237 647 HB3 ALA 77 3HB ALA 77 -19.720 5.297 -11.517 648 H GLN 78 H GLN 78 -17.554 5.974 -14.201 649 HA GLN 78 HA GLN 78 -15.593 5.158 -12.347 650 HB2 GLN 78 2HB GLN 78 -16.026 4.361 -14.777 651 HB3 GLN 78 3HB GLN 78 -14.986 5.702 -15.237 652 HG2 GLN 78 2HG GLN 78 -13.426 4.580 -13.388 653 HG3 GLN 78 3HG GLN 78 -14.322 3.153 -13.905 654 HE21 GLN 78 1HE2 GLN 78 -13.911 2.264 -15.864 655 HE22 GLN 78 2HE2 GLN 78 -12.680 2.823 -16.939 656 H ARG 79 H ARG 79 -16.054 8.104 -14.173 657 HA ARG 79 HA ARG 79 -13.505 9.216 -13.957 658 HB2 ARG 79 2HB ARG 79 -15.792 10.021 -15.111 659 HB3 ARG 79 3HB ARG 79 -15.831 11.038 -13.677 660 HG2 ARG 79 2HG ARG 79 -14.586 12.461 -14.847 661 HG3 ARG 79 3HG ARG 79 -13.252 11.340 -14.566 662 HD2 ARG 79 2HD ARG 79 -13.357 10.468 -16.681 663 HD3 ARG 79 3HD ARG 79 -15.076 10.817 -16.855 664 HE ARG 79 HE ARG 79 -13.663 13.238 -16.728 665 HH11 ARG 79 1HH1 ARG 79 -14.116 10.509 -18.842 666 HH12 ARG 79 2HH1 ARG 79 -13.813 11.413 -20.288 667 HH21 ARG 79 1HH2 ARG 79 -13.261 14.439 -18.625 668 HH22 ARG 79 2HH2 ARG 79 -13.325 13.648 -20.164 669 H LEU 80 H LEU 80 -16.250 9.341 -11.722 670 HA LEU 80 HA LEU 80 -14.601 10.757 -9.763 671 HB2 LEU 80 2HB LEU 80 -16.799 10.789 -8.472 672 HB3 LEU 80 3HB LEU 80 -16.688 11.773 -9.930 673 HG LEU 80 HG LEU 80 -17.838 9.051 -10.208 674 HD11 LEU 80 1HD1 LEU 80 -18.828 9.985 -8.112 675 HD12 LEU 80 2HD1 LEU 80 -19.990 9.685 -9.404 676 HD13 LEU 80 3HD1 LEU 80 -19.447 11.329 -9.072 677 HD21 LEU 80 3HD2 LEU 80 -17.477 10.862 -12.015 678 HD22 LEU 80 1HD2 LEU 80 -18.893 11.632 -11.299 679 HD23 LEU 80 2HD2 LEU 80 -19.017 10.003 -11.966 680 H GLN 81 H GLN 81 -15.261 7.640 -10.620 681 HA GLN 81 HA GLN 81 -14.896 5.626 -9.628 682 HB2 GLN 81 2HB GLN 81 -12.999 7.207 -8.571 683 HB3 GLN 81 3HB GLN 81 -13.884 6.812 -7.104 684 HG2 GLN 81 2HG GLN 81 -13.370 4.478 -8.749 685 HG3 GLN 81 3HG GLN 81 -11.892 5.313 -8.272 686 HE21 GLN 81 1HE2 GLN 81 -13.789 2.866 -7.440 687 HE22 GLN 81 2HE2 GLN 81 -13.582 2.859 -5.725 688 H ILE 82 H ILE 82 -17.434 6.498 -9.457 689 HA ILE 82 HA ILE 82 -18.280 6.064 -6.679 690 HB ILE 82 HB ILE 82 -19.190 8.065 -7.758 691 HG12 ILE 82 2HG1 ILE 82 -21.671 6.556 -7.714 692 HG13 ILE 82 3HG1 ILE 82 -20.614 6.095 -6.383 693 HG21 ILE 82 1HG2 ILE 82 -20.820 7.807 -9.613 694 HG22 ILE 82 2HG2 ILE 82 -19.168 7.387 -10.061 695 HG23 ILE 82 3HG2 ILE 82 -20.346 6.114 -9.742 696 HD11 ILE 82 3HD1 ILE 82 -21.603 8.861 -7.029 697 HD12 ILE 82 1HD1 ILE 82 -22.084 7.847 -5.669 698 HD13 ILE 82 2HD1 ILE 82 -20.440 8.479 -5.760 699 H SER 83 H SER 83 -18.327 4.667 -9.850 700 HA SER 83 HA SER 83 -19.603 2.276 -8.749 701 HB2 SER 83 2HB SER 83 -21.229 3.858 -10.069 702 HB3 SER 83 3HB SER 83 -20.428 3.180 -11.486 703 HG SER 83 HG SER 83 -22.021 1.773 -11.150 704 H ASP 84 H ASP 84 -17.161 1.922 -8.869 705 HA ASP 84 HA ASP 84 -16.219 1.239 -11.544 706 HB2 ASP 84 2HB ASP 84 -14.925 1.590 -8.872 707 HB3 ASP 84 3HB ASP 84 -14.121 0.587 -10.077 708 H TYR 85 H TYR 85 -18.167 -0.410 -11.230 709 HA TYR 85 HA TYR 85 -18.717 -2.619 -11.317 710 HB2 TYR 85 2HB TYR 85 -15.880 -3.330 -10.604 711 HB3 TYR 85 3HB TYR 85 -17.037 -4.258 -11.552 712 HD1 TYR 85 HD1 TYR 85 -17.926 -2.833 -13.700 713 HD2 TYR 85 HD2 TYR 85 -14.148 -2.396 -11.792 714 HE1 TYR 85 HE1 TYR 85 -16.996 -1.885 -15.771 715 HE2 TYR 85 HE2 TYR 85 -13.209 -1.445 -13.856 716 HH TYR 85 HH TYR 85 -14.972 -1.458 -16.853 717 H GLN 86 H GLN 86 -17.057 -4.556 -9.580 718 HA GLN 86 HA GLN 86 -18.776 -4.788 -7.441 719 HB2 GLN 86 2HB GLN 86 -17.166 -6.267 -6.438 720 HB3 GLN 86 3HB GLN 86 -17.134 -6.508 -8.179 721 HG2 GLN 86 2HG GLN 86 -15.169 -4.869 -8.179 722 HG3 GLN 86 3HG GLN 86 -15.115 -5.146 -6.439 723 HE21 GLN 86 1HE2 GLN 86 -14.339 -7.053 -5.660 724 HE22 GLN 86 2HE2 GLN 86 -13.620 -8.270 -6.652 725 H GLN 87 H GLN 87 -15.911 -2.796 -7.752 726 HA GLN 87 HA GLN 87 -15.495 -2.132 -5.076 727 HB2 GLN 87 2HB GLN 87 -15.063 -0.432 -7.538 728 HB3 GLN 87 3HB GLN 87 -14.402 -0.086 -5.946 729 HG2 GLN 87 2HG GLN 87 -13.519 -2.611 -6.309 730 HG3 GLN 87 3HG GLN 87 -13.542 -2.028 -7.972 731 HE21 GLN 87 1HE2 GLN 87 -11.658 -2.349 -5.334 732 HE22 GLN 87 2HE2 GLN 87 -10.521 -1.079 -5.617 733 H LEU 88 H LEU 88 -17.938 -1.098 -7.307 734 HA LEU 88 HA LEU 88 -18.749 1.316 -6.224 735 HB2 LEU 88 2HB LEU 88 -20.692 1.076 -7.426 736 HB3 LEU 88 3HB LEU 88 -19.604 -0.016 -8.280 737 HG LEU 88 HG LEU 88 -20.705 -1.779 -6.616 738 HD11 LEU 88 1HD1 LEU 88 -22.735 -1.277 -5.782 739 HD12 LEU 88 2HD1 LEU 88 -23.162 -0.246 -7.148 740 HD13 LEU 88 3HD1 LEU 88 -22.129 0.378 -5.862 741 HD21 LEU 88 3HD2 LEU 88 -21.286 -0.843 -9.324 742 HD22 LEU 88 1HD2 LEU 88 -22.611 -1.730 -8.571 743 HD23 LEU 88 2HD2 LEU 88 -21.021 -2.479 -8.718 744 H GLU 89 H GLU 89 -19.173 -1.914 -5.003 745 HA GLU 89 HA GLU 89 -21.260 -1.359 -3.165 746 HB2 GLU 89 2HB GLU 89 -20.593 -3.642 -3.945 747 HB3 GLU 89 3HB GLU 89 -19.144 -3.506 -2.959 748 HG2 GLU 89 2HG GLU 89 -20.539 -3.288 -0.957 749 HG3 GLU 89 3HG GLU 89 -21.981 -3.462 -1.955 750 H SER 90 H SER 90 -17.731 -1.382 -2.889 751 HA SER 90 HA SER 90 -17.658 -0.841 -0.106 752 HB2 SER 90 2HB SER 90 -15.285 0.163 -1.177 753 HB3 SER 90 3HB SER 90 -15.546 -1.464 -0.549 754 HG SER 90 HG SER 90 -15.560 -2.223 -2.518 755 H ILE 91 H ILE 91 -17.473 1.219 -2.979 756 HA ILE 91 HA ILE 91 -17.012 3.643 -1.600 757 HB ILE 91 HB ILE 91 -18.374 3.331 -4.274 758 HG12 ILE 91 2HG1 ILE 91 -16.255 2.087 -4.237 759 HG13 ILE 91 3HG1 ILE 91 -16.136 3.511 -5.264 760 HG21 ILE 91 1HG2 ILE 91 -16.748 5.576 -4.282 761 HG22 ILE 91 2HG2 ILE 91 -18.505 5.549 -4.143 762 HG23 ILE 91 3HG2 ILE 91 -17.506 5.593 -2.690 763 HD11 ILE 91 3HD1 ILE 91 -14.382 4.204 -4.122 764 HD12 ILE 91 1HD1 ILE 91 -15.327 4.219 -2.633 765 HD13 ILE 91 2HD1 ILE 91 -14.474 2.754 -3.122 766 H TYR 92 H TYR 92 -19.965 2.041 -2.710 767 HA TYR 92 HA TYR 92 -21.739 4.125 -1.998 768 HB2 TYR 92 2HB TYR 92 -22.344 2.321 -3.563 769 HB3 TYR 92 3HB TYR 92 -22.287 1.159 -2.243 770 HD1 TYR 92 HD2 TYR 92 -24.090 4.127 -3.528 771 HD2 TYR 92 HD1 TYR 92 -24.139 0.860 -0.802 772 HE1 TYR 92 HE2 TYR 92 -26.457 4.579 -3.036 773 HE2 TYR 92 HE1 TYR 92 -26.506 1.303 -0.304 774 HH TYR 92 HH TYR 92 -28.439 2.393 -1.371 775 H PHE 93 H PHE 93 -20.537 1.292 -0.270 776 HA PHE 93 HA PHE 93 -22.216 1.532 1.988 777 HB2 PHE 93 2HB PHE 93 -20.862 -0.496 1.343 778 HB3 PHE 93 3HB PHE 93 -19.437 0.348 1.942 779 HD1 PHE 93 HD2 PHE 93 -22.730 -1.011 2.934 780 HD2 PHE 93 HD1 PHE 93 -18.924 0.387 4.230 781 HE1 PHE 93 HE2 PHE 93 -23.205 -1.832 5.204 782 HE2 PHE 93 HE1 PHE 93 -19.393 -0.433 6.502 783 HZ PHE 93 HZ PHE 93 -21.536 -1.543 6.992 784 H ARG 94 H ARG 94 -18.861 2.587 1.437 785 HA ARG 94 HA ARG 94 -18.523 3.822 3.945 786 HB2 ARG 94 2HB ARG 94 -17.111 3.880 1.331 787 HB3 ARG 94 3HB ARG 94 -16.784 5.200 2.446 788 HG2 ARG 94 2HG ARG 94 -15.259 3.879 3.368 789 HG3 ARG 94 3HG ARG 94 -16.602 2.943 4.029 790 HD2 ARG 94 2HD ARG 94 -15.773 2.362 1.243 791 HD3 ARG 94 3HD ARG 94 -14.685 1.851 2.533 792 HE ARG 94 HE ARG 94 -17.435 1.084 2.925 793 HH11 ARG 94 1HH1 ARG 94 -14.365 0.206 1.539 794 HH12 ARG 94 2HH1 ARG 94 -14.709 -1.492 1.524 795 HH21 ARG 94 1HH2 ARG 94 -17.901 -1.149 2.912 796 HH22 ARG 94 2HH2 ARG 94 -16.721 -2.261 2.305 797 H ILE 95 H ILE 95 -19.880 4.943 0.920 798 HA ILE 95 HA ILE 95 -19.978 7.704 1.711 799 HB ILE 95 HB ILE 95 -21.193 6.191 -0.590 800 HG12 ILE 95 2HG1 ILE 95 -19.190 8.451 -0.592 801 HG13 ILE 95 3HG1 ILE 95 -18.719 6.756 -0.517 802 HG21 ILE 95 1HG2 ILE 95 -21.829 8.476 -1.457 803 HG22 ILE 95 2HG2 ILE 95 -22.806 7.855 -0.127 804 HG23 ILE 95 3HG2 ILE 95 -21.568 9.073 0.182 805 HD11 ILE 95 3HD1 ILE 95 -20.180 8.148 -2.744 806 HD12 ILE 95 1HD1 ILE 95 -18.547 7.483 -2.775 807 HD13 ILE 95 2HD1 ILE 95 -19.937 6.403 -2.659 808 H LEU 96 H LEU 96 -22.022 4.927 2.033 809 HA LEU 96 HA LEU 96 -24.376 6.489 2.689 810 HB2 LEU 96 2HB LEU 96 -24.500 4.332 1.455 811 HB3 LEU 96 3HB LEU 96 -23.938 3.515 2.913 812 HG LEU 96 HG LEU 96 -25.973 4.241 4.086 813 HD11 LEU 96 1HD1 LEU 96 -26.604 5.492 1.428 814 HD12 LEU 96 2HD1 LEU 96 -26.563 6.254 3.018 815 HD13 LEU 96 3HD1 LEU 96 -27.846 5.112 2.621 816 HD21 LEU 96 3HD2 LEU 96 -26.426 2.774 1.490 817 HD22 LEU 96 1HD2 LEU 96 -27.556 2.805 2.844 818 HD23 LEU 96 2HD2 LEU 96 -25.966 2.067 3.040 819 H LEU 97 H LEU 97 -21.668 5.192 4.298 820 HA LEU 97 HA LEU 97 -22.484 4.432 6.773 821 HB2 LEU 97 2HB LEU 97 -20.104 5.608 5.646 822 HB3 LEU 97 3HB LEU 97 -20.360 6.170 7.297 823 HG LEU 97 HG LEU 97 -20.351 3.882 8.106 824 HD11 LEU 97 1HD1 LEU 97 -21.347 2.922 6.007 825 HD12 LEU 97 2HD1 LEU 97 -20.024 1.994 6.713 826 HD13 LEU 97 3HD1 LEU 97 -19.735 3.003 5.296 827 HD21 LEU 97 3HD2 LEU 97 -18.140 5.205 6.866 828 HD22 LEU 97 1HD2 LEU 97 -17.948 3.460 6.700 829 HD23 LEU 97 2HD2 LEU 97 -18.160 4.175 8.298 830 HA PRO 98 HA PRO 98 -24.586 7.755 8.729 831 HB2 PRO 98 2HB PRO 98 -23.944 7.294 11.326 832 HB3 PRO 98 3HB PRO 98 -25.074 6.280 10.421 833 HG2 PRO 98 2HG PRO 98 -22.180 5.815 11.027 834 HG3 PRO 98 3HG PRO 98 -23.534 4.672 11.092 835 HD2 PRO 98 2HD PRO 98 -21.801 4.761 9.013 836 HD3 PRO 98 3HD PRO 98 -23.509 4.319 8.814 837 H TYR 99 H TYR 99 -21.207 7.263 9.688 838 HA TYR 99 HA TYR 99 -20.863 9.852 10.806 839 HB2 TYR 99 2HB TYR 99 -18.757 7.968 9.728 840 HB3 TYR 99 3HB TYR 99 -18.481 9.325 10.814 841 HD1 TYR 99 HD1 TYR 99 -19.196 9.204 13.161 842 HD2 TYR 99 HD2 TYR 99 -19.635 5.881 10.541 843 HE1 TYR 99 HE1 TYR 99 -19.536 7.728 15.099 844 HE2 TYR 99 HE2 TYR 99 -19.977 4.396 12.471 845 HH TYR 99 HH TYR 99 -20.808 4.689 14.895 846 H GLU 100 H GLU 100 -20.096 8.442 7.644 847 HA GLU 100 HA GLU 100 -18.863 10.746 6.570 848 HB2 GLU 100 2HB GLU 100 -18.707 8.390 5.671 849 HB3 GLU 100 3HB GLU 100 -20.321 8.612 5.011 850 HG2 GLU 100 2HG GLU 100 -18.040 10.447 4.351 851 HG3 GLU 100 3HG GLU 100 -18.384 8.982 3.433 852 H ARG 101 H ARG 101 -22.177 9.489 6.292 853 HA ARG 101 HA ARG 101 -23.154 11.563 4.653 854 HB2 ARG 101 2HB ARG 101 -25.336 10.721 5.134 855 HB3 ARG 101 3HB ARG 101 -24.254 9.338 5.047 856 HG2 ARG 101 2HG ARG 101 -24.147 9.284 7.498 857 HG3 ARG 101 3HG ARG 101 -25.269 10.645 7.563 858 HD2 ARG 101 2HD ARG 101 -26.616 8.925 5.951 859 HD3 ARG 101 3HD ARG 101 -25.766 7.801 7.011 860 HE ARG 101 HE ARG 101 -27.029 9.868 8.497 861 HH11 ARG 101 1HH1 ARG 101 -27.652 6.901 6.786 862 HH12 ARG 101 2HH1 ARG 101 -29.059 6.507 7.718 863 HH21 ARG 101 1HH2 ARG 101 -28.879 9.360 9.730 864 HH22 ARG 101 2HH2 ARG 101 -29.756 7.907 9.392 865 H HIS 102 H HIS 102 -22.870 11.222 8.137 866 HA HIS 102 HA HIS 102 -24.466 13.455 8.837 867 HB2 HIS 102 2HB HIS 102 -22.453 11.753 10.234 868 HB3 HIS 102 3HB HIS 102 -22.883 13.297 10.965 869 HD1 HIS 102 HD1 HIS 102 -23.576 10.469 12.184 870 HD2 HIS 102 HD2 HIS 102 -26.166 12.884 10.011 871 HE1 HIS 102 HE1 HIS 102 -25.890 9.765 12.873 872 H MET 103 H MET 103 -20.962 13.056 8.405 873 HA MET 103 HA MET 103 -20.200 15.656 9.088 874 HB2 MET 103 2HB MET 103 -18.998 13.394 7.636 875 HB3 MET 103 3HB MET 103 -18.356 14.972 7.200 876 HG2 MET 103 2HG MET 103 -17.050 13.916 8.964 877 HG3 MET 103 3HG MET 103 -17.796 15.416 9.511 878 HE1 MET 103 3HE MET 103 -16.931 13.935 12.073 879 HE2 MET 103 1HE MET 103 -17.915 15.377 11.818 880 HE3 MET 103 2HE MET 103 -18.491 14.094 12.882 881 H ILE 104 H ILE 104 -21.120 14.284 5.951 882 HA ILE 104 HA ILE 104 -20.741 16.754 4.545 883 HB ILE 104 HB ILE 104 -21.742 15.634 2.636 884 HG12 ILE 104 2HG1 ILE 104 -22.346 13.387 4.571 885 HG13 ILE 104 3HG1 ILE 104 -23.535 14.441 3.813 886 HG21 ILE 104 1HG2 ILE 104 -19.370 15.164 3.381 887 HG22 ILE 104 2HG2 ILE 104 -19.975 13.638 4.023 888 HG23 ILE 104 3HG2 ILE 104 -20.095 13.977 2.297 889 HD11 ILE 104 3HD1 ILE 104 -22.055 13.366 1.709 890 HD12 ILE 104 1HD1 ILE 104 -22.334 12.030 2.826 891 HD13 ILE 104 2HD1 ILE 104 -23.699 12.949 2.191 892 H SER 105 H SER 105 -23.319 15.282 6.312 893 HA SER 105 HA SER 105 -25.522 16.572 5.138 894 HB2 SER 105 2HB SER 105 -26.354 15.004 6.548 895 HB3 SER 105 3HB SER 105 -24.977 15.119 7.643 896 HG SER 105 HG SER 105 -26.444 16.064 8.851 897 H GLN 106 H GLN 106 -23.104 17.673 7.375 898 HA GLN 106 HA GLN 106 -24.384 19.831 8.563 899 HB2 GLN 106 2HB GLN 106 -21.754 18.838 8.410 900 HB3 GLN 106 3HB GLN 106 -21.665 20.522 7.911 901 HG2 GLN 106 2HG GLN 106 -22.871 19.508 10.476 902 HG3 GLN 106 3HG GLN 106 -21.289 20.266 10.303 903 HE21 GLN 106 1HE2 GLN 106 -23.999 20.924 11.634 904 HE22 GLN 106 2HE2 GLN 106 -24.238 22.585 11.224 905 H GLU 107 H GLU 107 -22.884 19.561 5.390 906 HA GLU 107 HA GLU 107 -23.792 22.297 4.784 907 HB2 GLU 107 2HB GLU 107 -21.269 21.494 4.594 908 HB3 GLU 107 3HB GLU 107 -21.825 20.892 3.038 909 HG2 GLU 107 2HG GLU 107 -22.781 23.537 3.313 910 HG3 GLU 107 3HG GLU 107 -21.078 23.532 3.768 911 H GLY 108 H GLY 108 -25.210 19.609 4.651 912 HA2 GLY 108 2HA GLY 108 -26.631 20.125 2.233 913 HA3 GLY 108 3HA GLY 108 -25.595 18.716 2.067 914 H ILE 109 H ILE 109 -27.606 19.938 4.742 915 HA ILE 109 HA ILE 109 -28.411 17.435 5.658 916 HB ILE 109 HB ILE 109 -30.361 18.678 6.690 917 HG12 ILE 109 2HG1 ILE 109 -29.202 21.292 6.206 918 HG13 ILE 109 3HG1 ILE 109 -29.740 20.548 4.704 919 HG21 ILE 109 1HG2 ILE 109 -29.036 19.534 8.385 920 HG22 ILE 109 2HG2 ILE 109 -27.958 18.377 7.606 921 HG23 ILE 109 3HG2 ILE 109 -27.794 20.100 7.268 922 HD11 ILE 109 3HD1 ILE 109 -31.651 20.349 6.912 923 HD12 ILE 109 1HD1 ILE 109 -31.310 21.992 6.370 924 HD13 ILE 109 2HD1 ILE 109 -31.900 20.790 5.222 925 H LYS 110 H LYS 110 -29.530 19.290 2.970 926 HA LYS 110 HA LYS 110 -32.117 18.304 2.645 927 HB2 LYS 110 2HB LYS 110 -30.267 19.839 1.127 928 HB3 LYS 110 3HB LYS 110 -30.890 18.572 0.079 929 HG2 LYS 110 2HG LYS 110 -32.223 20.590 -0.105 930 HG3 LYS 110 3HG LYS 110 -33.174 19.270 0.581 931 HD2 LYS 110 2HD LYS 110 -33.577 20.442 2.431 932 HD3 LYS 110 3HD LYS 110 -31.858 20.764 2.664 933 HE2 LYS 110 2HE LYS 110 -33.692 22.311 0.835 934 HE3 LYS 110 3HE LYS 110 -33.187 22.827 2.444 935 HZ1 LYS 110 3HZ LYS 110 -31.328 22.300 0.190 936 HZ2 LYS 110 1HZ LYS 110 -30.923 22.930 1.707 937 HZ3 LYS 110 2HZ LYS 110 -31.875 23.836 0.642 938 H GLU 111 H GLU 111 -29.048 16.788 2.127 939 HA GLU 111 HA GLU 111 -30.006 14.701 0.416 940 HB2 GLU 111 2HB GLU 111 -27.567 15.601 0.801 941 HB3 GLU 111 3HB GLU 111 -27.547 14.411 2.096 942 HG2 GLU 111 2HG GLU 111 -28.477 12.883 0.101 943 HG3 GLU 111 3HG GLU 111 -27.520 14.038 -0.827 944 H THR 112 H THR 112 -29.869 15.234 3.832 945 HA THR 112 HA THR 112 -30.009 12.551 4.707 946 HB THR 112 HB THR 112 -31.146 14.958 6.135 947 HG1 THR 112 HG1 THR 112 -29.147 15.503 6.642 948 HG21 THR 112 3HG2 THR 112 -31.830 13.089 7.336 949 HG22 THR 112 1HG2 THR 112 -30.309 13.511 8.121 950 HG23 THR 112 2HG2 THR 112 -30.363 12.186 6.959 951 H GLN 113 H GLN 113 -32.547 14.995 4.195 952 HA GLN 113 HA GLN 113 -34.712 13.335 4.883 953 HB2 GLN 113 2HB GLN 113 -34.562 15.928 4.494 954 HB3 GLN 113 3HB GLN 113 -35.007 15.506 2.846 955 HG2 GLN 113 2HG GLN 113 -37.007 16.040 3.971 956 HG3 GLN 113 3HG GLN 113 -36.981 14.286 3.799 957 HE21 GLN 113 1HE2 GLN 113 -37.444 13.156 5.541 958 HE22 GLN 113 2HE2 GLN 113 -37.341 13.712 7.173 959 H ALA 114 H ALA 114 -32.771 13.524 2.048 960 HA ALA 114 HA ALA 114 -34.632 12.425 0.200 961 HB1 ALA 114 1HB ALA 114 -33.040 13.008 -1.228 962 HB2 ALA 114 2HB ALA 114 -31.977 13.402 0.124 963 HB3 ALA 114 3HB ALA 114 -31.969 11.776 -0.560 964 H LYS 115 H LYS 115 -32.562 11.077 2.625 965 HA LYS 115 HA LYS 115 -32.411 8.434 1.593 966 HB2 LYS 115 2HB LYS 115 -31.162 9.747 3.610 967 HB3 LYS 115 3HB LYS 115 -32.319 8.791 4.526 968 HG2 LYS 115 2HG LYS 115 -31.227 7.012 2.686 969 HG3 LYS 115 3HG LYS 115 -29.866 7.984 3.250 970 HD2 LYS 115 2HD LYS 115 -29.853 6.426 4.900 971 HD3 LYS 115 3HD LYS 115 -31.054 7.514 5.600 972 HE2 LYS 115 2HE LYS 115 -32.836 6.143 4.963 973 HE3 LYS 115 3HE LYS 115 -31.862 5.272 3.780 974 HZ1 LYS 115 3HZ LYS 115 -32.031 3.795 5.533 975 HZ2 LYS 115 1HZ LYS 115 -31.883 4.996 6.716 976 HZ3 LYS 115 2HZ LYS 115 -30.530 4.518 5.821 977 H ARG 116 H ARG 116 -34.054 7.083 1.345 978 HA ARG 116 HA ARG 116 -36.079 6.066 1.586 979 HB2 ARG 116 2HB ARG 116 -34.686 5.825 3.967 980 HB3 ARG 116 3HB ARG 116 -36.270 6.389 4.479 981 HG2 ARG 116 2HG ARG 116 -36.716 4.182 4.491 982 HG3 ARG 116 3HG ARG 116 -37.027 4.470 2.778 983 HD2 ARG 116 2HD ARG 116 -35.383 3.089 2.209 984 HD3 ARG 116 3HD ARG 116 -34.232 4.013 3.173 985 HE ARG 116 HE ARG 116 -35.732 2.387 4.890 986 HH11 ARG 116 1HH1 ARG 116 -33.345 2.107 2.371 987 HH12 ARG 116 2HH1 ARG 116 -32.673 0.635 2.992 988 HH21 ARG 116 1HH2 ARG 116 -34.857 0.450 5.717 989 HH22 ARG 116 2HH2 ARG 116 -33.535 -0.307 4.894 Start of MODEL 12 1 H1 GLN 1 H GLN 1 6.438 2.616 -4.874 2 HA GLN 1 HA GLN 1 6.649 5.152 -5.256 3 HB2 GLN 1 2HB GLN 1 5.055 6.044 -6.857 4 HB3 GLN 1 3HB GLN 1 6.143 4.918 -7.658 5 HG2 GLN 1 2HG GLN 1 4.364 3.891 -8.470 6 HG3 GLN 1 3HG GLN 1 3.982 3.370 -6.830 7 HE21 GLN 1 1HE2 GLN 1 2.277 4.115 -9.148 8 HE22 GLN 1 2HE2 GLN 1 1.206 5.329 -8.544 9 H SER 2 H SER 2 4.933 6.583 -4.424 10 HA SER 2 HA SER 2 2.637 5.244 -3.232 11 HB2 SER 2 2HB SER 2 3.138 5.871 -0.981 12 HB3 SER 2 3HB SER 2 4.580 5.075 -1.612 13 HG SER 2 HG SER 2 5.323 7.277 -2.110 14 H LEU 3 H LEU 3 1.852 7.270 -1.508 15 HA LEU 3 HA LEU 3 0.679 9.217 -1.475 16 HB2 LEU 3 2HB LEU 3 2.548 10.288 -3.559 17 HB3 LEU 3 3HB LEU 3 1.726 11.156 -2.265 18 HG LEU 3 HG LEU 3 4.053 9.260 -1.951 19 HD11 LEU 3 1HD1 LEU 3 5.242 11.292 -1.220 20 HD12 LEU 3 2HD1 LEU 3 3.831 12.253 -1.663 21 HD13 LEU 3 3HD1 LEU 3 4.724 11.374 -2.904 22 HD21 LEU 3 3HD2 LEU 3 3.309 8.991 0.132 23 HD22 LEU 3 1HD2 LEU 3 2.076 10.237 -0.065 24 HD23 LEU 3 2HD2 LEU 3 3.719 10.687 0.394 25 H ASN 4 H ASN 4 -0.055 11.067 -3.312 26 HA ASN 4 HA ASN 4 -2.059 9.762 -4.775 27 HB2 ASN 4 2HB ASN 4 -2.222 12.046 -5.964 28 HB3 ASN 4 3HB ASN 4 -2.509 11.999 -4.227 29 HD21 ASN 4 1HD2 ASN 4 -0.874 12.752 -2.820 30 HD22 ASN 4 2HD2 ASN 4 0.326 13.866 -3.371 31 HA PRO 5 HA PRO 5 -0.197 8.573 -8.567 32 HB2 PRO 5 2HB PRO 5 -2.183 9.083 -10.346 33 HB3 PRO 5 3HB PRO 5 -2.248 7.747 -9.191 34 HG2 PRO 5 2HG PRO 5 -3.530 10.448 -9.037 35 HG3 PRO 5 3HG PRO 5 -4.211 8.862 -8.632 36 HD2 PRO 5 2HD PRO 5 -3.280 10.570 -6.749 37 HD3 PRO 5 3HD PRO 5 -3.185 8.807 -6.569 38 H ALA 6 H ALA 6 -1.580 11.794 -8.375 39 HA ALA 6 HA ALA 6 -1.005 13.781 -9.325 40 HB1 ALA 6 1HB ALA 6 1.198 13.139 -8.355 41 HB2 ALA 6 2HB ALA 6 1.637 12.461 -9.923 42 HB3 ALA 6 3HB ALA 6 1.312 14.188 -9.768 43 H LEU 7 H LEU 7 -2.107 11.524 -10.980 44 HA LEU 7 HA LEU 7 -1.124 12.332 -13.628 45 HB2 LEU 7 2HB LEU 7 -2.029 9.835 -12.490 46 HB3 LEU 7 3HB LEU 7 -2.932 10.237 -13.949 47 HG LEU 7 HG LEU 7 0.077 10.142 -13.836 48 HD11 LEU 7 1HD1 LEU 7 -0.467 7.965 -15.212 49 HD12 LEU 7 2HD1 LEU 7 -1.933 7.988 -14.234 50 HD13 LEU 7 3HD1 LEU 7 -0.354 7.932 -13.452 51 HD21 LEU 7 3HD2 LEU 7 -0.199 11.179 -15.798 52 HD22 LEU 7 1HD2 LEU 7 -1.924 10.814 -15.854 53 HD23 LEU 7 2HD2 LEU 7 -0.751 9.612 -16.392 54 H GLN 8 H GLN 8 -3.943 12.228 -11.572 55 HA GLN 8 HA GLN 8 -5.291 14.111 -13.306 56 HB2 GLN 8 2HB GLN 8 -6.350 11.339 -12.805 57 HB3 GLN 8 3HB GLN 8 -7.417 12.677 -13.210 58 HG2 GLN 8 2HG GLN 8 -5.973 13.019 -15.263 59 HG3 GLN 8 3HG GLN 8 -5.251 11.455 -14.887 60 HE21 GLN 8 1HE2 GLN 8 -6.620 12.005 -17.257 61 HE22 GLN 8 2HE2 GLN 8 -8.053 11.042 -17.300 62 H GLU 9 H GLU 9 -4.180 13.988 -10.574 63 HA GLU 9 HA GLU 9 -6.588 14.270 -8.931 64 HB2 GLU 9 2HB GLU 9 -5.066 14.296 -7.019 65 HB3 GLU 9 3HB GLU 9 -4.782 12.884 -8.026 66 HG2 GLU 9 2HG GLU 9 -2.642 13.421 -8.086 67 HG3 GLU 9 3HG GLU 9 -3.068 14.863 -9.004 68 H LYS 10 H LYS 10 -6.292 16.240 -10.839 69 HA LYS 10 HA LYS 10 -4.889 18.527 -10.129 70 HB2 LYS 10 2HB LYS 10 -7.225 17.910 -11.815 71 HB3 LYS 10 3HB LYS 10 -7.151 19.571 -11.240 72 HG2 LYS 10 2HG LYS 10 -4.855 18.211 -12.623 73 HG3 LYS 10 3HG LYS 10 -6.094 19.135 -13.476 74 HD2 LYS 10 2HD LYS 10 -5.236 21.106 -12.824 75 HD3 LYS 10 3HD LYS 10 -4.925 20.533 -11.183 76 HE2 LYS 10 2HE LYS 10 -2.802 19.922 -11.660 77 HE3 LYS 10 3HE LYS 10 -3.209 19.391 -13.290 78 HZ1 LYS 10 3HZ LYS 10 -2.080 21.234 -13.853 79 HZ2 LYS 10 1HZ LYS 10 -2.318 21.990 -12.358 80 HZ3 LYS 10 2HZ LYS 10 -3.542 22.020 -13.525 81 H ILE 11 H ILE 11 -4.903 19.201 -8.051 82 HA ILE 11 HA ILE 11 -7.396 19.401 -6.577 83 HB ILE 11 HB ILE 11 -5.364 18.611 -5.431 84 HG12 ILE 11 2HG1 ILE 11 -5.492 20.756 -3.702 85 HG13 ILE 11 3HG1 ILE 11 -7.019 20.869 -4.571 86 HG21 ILE 11 1HG2 ILE 11 -4.195 21.313 -5.277 87 HG22 ILE 11 2HG2 ILE 11 -3.409 19.736 -5.343 88 HG23 ILE 11 3HG2 ILE 11 -4.021 20.478 -6.821 89 HD11 ILE 11 3HD1 ILE 11 -6.979 18.238 -3.994 90 HD12 ILE 11 1HD1 ILE 11 -6.097 18.888 -2.613 91 HD13 ILE 11 2HD1 ILE 11 -7.724 19.467 -2.973 92 H SER 12 H SER 12 -8.555 21.200 -6.304 93 HA SER 12 HA SER 12 -9.229 23.372 -6.391 94 HB2 SER 12 2HB SER 12 -6.338 24.209 -6.558 95 HB3 SER 12 3HB SER 12 -7.694 25.086 -5.850 96 HG SER 12 HG SER 12 -6.040 23.289 -4.704 97 H THR 13 H THR 13 -10.189 24.054 -8.175 98 HA THR 13 HA THR 13 -8.774 23.958 -10.723 99 HB THR 13 HB THR 13 -11.304 24.918 -11.272 100 HG1 THR 13 HG1 THR 13 -12.516 23.193 -9.986 101 HG21 THR 13 3HG2 THR 13 -10.762 23.241 -12.682 102 HG22 THR 13 1HG2 THR 13 -11.643 22.237 -11.530 103 HG23 THR 13 2HG2 THR 13 -9.885 22.345 -11.442 104 H GLU 14 H GLU 14 -11.010 26.311 -9.235 105 HA GLU 14 HA GLU 14 -9.437 28.456 -10.494 106 HB2 GLU 14 2HB GLU 14 -12.170 27.956 -10.568 107 HB3 GLU 14 3HB GLU 14 -12.011 29.258 -9.397 108 HG2 GLU 14 2HG GLU 14 -10.366 29.917 -11.588 109 HG3 GLU 14 3HG GLU 14 -11.912 29.377 -12.239 110 H LEU 15 H LEU 15 -9.479 26.946 -7.690 111 HA LEU 15 HA LEU 15 -8.563 27.515 -5.667 112 HB2 LEU 15 2HB LEU 15 -7.774 29.599 -7.220 113 HB3 LEU 15 3HB LEU 15 -8.756 30.426 -6.013 114 HG LEU 15 HG LEU 15 -6.884 28.566 -4.804 115 HD11 LEU 15 1HD1 LEU 15 -4.844 29.515 -5.405 116 HD12 LEU 15 2HD1 LEU 15 -5.607 30.907 -6.173 117 HD13 LEU 15 3HD1 LEU 15 -5.686 29.322 -6.943 118 HD21 LEU 15 3HD2 LEU 15 -6.243 30.844 -3.718 119 HD22 LEU 15 1HD2 LEU 15 -7.809 30.114 -3.365 120 HD23 LEU 15 2HD2 LEU 15 -7.693 31.430 -4.534 121 H ASN 16 H ASN 16 -11.487 28.577 -6.923 122 HA ASN 16 HA ASN 16 -12.480 29.559 -4.351 123 HB2 ASN 16 2HB ASN 16 -13.199 29.978 -7.145 124 HB3 ASN 16 3HB ASN 16 -14.600 29.610 -6.144 125 HD21 ASN 16 1HD2 ASN 16 -12.847 32.052 -7.351 126 HD22 ASN 16 2HD2 ASN 16 -13.143 33.266 -6.157 127 H ASN 17 H ASN 17 -13.175 27.071 -6.785 128 HA ASN 17 HA ASN 17 -15.214 25.834 -5.188 129 HB2 ASN 17 2HB ASN 17 -13.822 24.465 -7.470 130 HB3 ASN 17 3HB ASN 17 -15.504 24.340 -6.962 131 HD21 ASN 17 1HD2 ASN 17 -13.187 26.132 -8.786 132 HD22 ASN 17 2HD2 ASN 17 -14.306 27.187 -9.572 133 H LYS 18 H LYS 18 -11.800 25.648 -5.374 134 HA LYS 18 HA LYS 18 -11.230 23.044 -4.652 135 HB2 LYS 18 2HB LYS 18 -9.132 23.824 -3.877 136 HB3 LYS 18 3HB LYS 18 -9.597 24.914 -5.177 137 HG2 LYS 18 2HG LYS 18 -8.943 26.464 -3.672 138 HG3 LYS 18 3HG LYS 18 -10.611 26.277 -3.125 139 HD2 LYS 18 2HD LYS 18 -9.985 25.357 -1.177 140 HD3 LYS 18 3HD LYS 18 -8.761 24.343 -1.945 141 HE2 LYS 18 2HE LYS 18 -8.473 27.272 -1.279 142 HE3 LYS 18 3HE LYS 18 -7.759 25.934 -0.380 143 HZ1 LYS 18 3HZ LYS 18 -6.055 25.913 -1.771 144 HZ2 LYS 18 1HZ LYS 18 -6.682 27.274 -2.555 145 HZ3 LYS 18 2HZ LYS 18 -7.074 25.725 -3.108 146 H GLN 19 H GLN 19 -12.568 25.621 -2.726 147 HA GLN 19 HA GLN 19 -12.107 24.398 -0.189 148 HB2 GLN 19 2HB GLN 19 -12.822 26.892 -0.958 149 HB3 GLN 19 3HB GLN 19 -14.388 26.259 -0.469 150 HG2 GLN 19 2HG GLN 19 -12.011 25.996 1.325 151 HG3 GLN 19 3HG GLN 19 -12.933 27.498 1.258 152 HE21 GLN 19 1HE2 GLN 19 -12.606 25.684 3.481 153 HE22 GLN 19 2HE2 GLN 19 -14.189 25.148 3.919 154 H TYR 20 H TYR 20 -14.904 24.586 -2.366 155 HA TYR 20 HA TYR 20 -16.629 23.075 -0.688 156 HB2 TYR 20 2HB TYR 20 -16.705 24.074 -3.492 157 HB3 TYR 20 3HB TYR 20 -17.797 22.761 -3.068 158 HD1 TYR 20 HD1 TYR 20 -16.778 26.186 -2.029 159 HD2 TYR 20 HD2 TYR 20 -19.823 23.215 -1.998 160 HE1 TYR 20 HE1 TYR 20 -18.348 27.813 -1.060 161 HE2 TYR 20 HE2 TYR 20 -21.401 24.834 -1.030 162 HH TYR 20 HH TYR 20 -21.738 26.964 -0.463 163 H GLU 21 H GLU 21 -14.690 22.254 -3.548 164 HA GLU 21 HA GLU 21 -15.458 19.563 -3.732 165 HB2 GLU 21 2HB GLU 21 -13.084 21.126 -4.676 166 HB3 GLU 21 3HB GLU 21 -13.086 19.375 -4.831 167 HG2 GLU 21 2HG GLU 21 -14.526 19.405 -6.537 168 HG3 GLU 21 3HG GLU 21 -15.531 20.647 -5.794 169 H LEU 22 H LEU 22 -12.731 21.084 -2.047 170 HA LEU 22 HA LEU 22 -11.674 18.639 -1.043 171 HB2 LEU 22 2HB LEU 22 -10.420 20.795 -1.334 172 HB3 LEU 22 3HB LEU 22 -11.272 21.403 0.084 173 HG LEU 22 HG LEU 22 -9.673 18.886 0.291 174 HD11 LEU 22 1HD1 LEU 22 -8.593 21.691 0.224 175 HD12 LEU 22 2HD1 LEU 22 -8.072 20.296 -0.720 176 HD13 LEU 22 3HD1 LEU 22 -7.752 20.357 1.013 177 HD21 LEU 22 3HD2 LEU 22 -10.695 19.194 2.294 178 HD22 LEU 22 1HD2 LEU 22 -10.821 20.942 2.089 179 HD23 LEU 22 2HD2 LEU 22 -9.285 20.218 2.567 180 H PHE 23 H PHE 23 -14.026 20.955 0.113 181 HA PHE 23 HA PHE 23 -14.129 20.181 2.806 182 HB2 PHE 23 2HB PHE 23 -15.199 22.221 2.074 183 HB3 PHE 23 3HB PHE 23 -16.277 21.322 1.011 184 HD1 PHE 23 HD2 PHE 23 -15.536 22.229 4.478 185 HD2 PHE 23 HD1 PHE 23 -18.191 20.151 1.878 186 HE1 PHE 23 HE2 PHE 23 -17.188 22.073 6.294 187 HE2 PHE 23 HE1 PHE 23 -19.847 19.993 3.691 188 HZ PHE 23 HZ PHE 23 -19.346 20.954 5.903 189 H MET 24 H MET 24 -16.043 19.076 0.019 190 HA MET 24 HA MET 24 -17.427 17.091 1.566 191 HB2 MET 24 2HB MET 24 -17.799 18.320 -0.923 192 HB3 MET 24 3HB MET 24 -17.503 16.625 -1.288 193 HG2 MET 24 2HG MET 24 -19.454 17.328 0.847 194 HG3 MET 24 3HG MET 24 -19.921 17.503 -0.843 195 HE1 MET 24 3HE MET 24 -21.983 15.208 -0.030 196 HE2 MET 24 1HE MET 24 -21.458 16.137 -1.435 197 HE3 MET 24 2HE MET 24 -21.454 14.374 -1.492 198 H LYS 25 H LYS 25 -14.635 17.175 -0.552 199 HA LYS 25 HA LYS 25 -14.335 14.388 -0.897 200 HB2 LYS 25 2HB LYS 25 -13.205 16.029 -2.328 201 HB3 LYS 25 3HB LYS 25 -12.244 16.572 -0.959 202 HG2 LYS 25 2HG LYS 25 -11.234 14.334 -0.807 203 HG3 LYS 25 3HG LYS 25 -12.160 13.842 -2.227 204 HD2 LYS 25 2HD LYS 25 -10.603 14.696 -3.563 205 HD3 LYS 25 3HD LYS 25 -10.802 16.282 -2.814 206 HE2 LYS 25 2HE LYS 25 -9.275 15.468 -0.977 207 HE3 LYS 25 3HE LYS 25 -8.942 14.062 -1.988 208 HZ1 LYS 25 3HZ LYS 25 -8.388 15.853 -3.755 209 HZ2 LYS 25 1HZ LYS 25 -7.249 15.482 -2.560 210 HZ3 LYS 25 2HZ LYS 25 -8.199 16.874 -2.419 211 H SER 26 H SER 26 -12.810 16.654 1.384 212 HA SER 26 HA SER 26 -11.222 14.802 2.739 213 HB2 SER 26 2HB SER 26 -12.349 17.486 3.400 214 HB3 SER 26 3HB SER 26 -11.649 16.534 4.709 215 HG SER 26 HG SER 26 -10.228 16.844 2.308 216 H LEU 27 H LEU 27 -14.602 15.674 3.160 217 HA LEU 27 HA LEU 27 -14.988 14.265 5.597 218 HB2 LEU 27 2HB LEU 27 -16.639 15.679 3.639 219 HB3 LEU 27 3HB LEU 27 -17.458 14.329 4.422 220 HG LEU 27 HG LEU 27 -17.095 15.320 6.597 221 HD11 LEU 27 1HD1 LEU 27 -15.234 17.012 5.090 222 HD12 LEU 27 2HD1 LEU 27 -15.211 16.522 6.783 223 HD13 LEU 27 3HD1 LEU 27 -16.227 17.869 6.269 224 HD21 LEU 27 3HD2 LEU 27 -18.426 17.399 6.307 225 HD22 LEU 27 1HD2 LEU 27 -19.097 16.004 5.463 226 HD23 LEU 27 2HD2 LEU 27 -18.219 17.240 4.562 227 H ILE 28 H ILE 28 -15.633 13.460 2.200 228 HA ILE 28 HA ILE 28 -16.743 10.915 2.680 229 HB ILE 28 HB ILE 28 -15.341 12.009 0.242 230 HG12 ILE 28 2HG1 ILE 28 -17.505 13.069 1.001 231 HG13 ILE 28 3HG1 ILE 28 -17.534 12.399 -0.626 232 HG21 ILE 28 1HG2 ILE 28 -16.748 9.393 0.684 233 HG22 ILE 28 2HG2 ILE 28 -16.564 10.104 -0.918 234 HG23 ILE 28 3HG2 ILE 28 -15.137 9.678 0.026 235 HD11 ILE 28 3HD1 ILE 28 -18.425 10.640 1.578 236 HD12 ILE 28 1HD1 ILE 28 -19.475 11.983 1.128 237 HD13 ILE 28 2HD1 ILE 28 -19.017 10.780 -0.077 238 H GLU 29 H GLU 29 -13.433 11.908 1.840 239 HA GLU 29 HA GLU 29 -12.344 9.302 1.833 240 HB2 GLU 29 2HB GLU 29 -10.979 11.955 2.325 241 HB3 GLU 29 3HB GLU 29 -10.156 10.441 1.977 242 HG2 GLU 29 2HG GLU 29 -11.513 12.306 0.178 243 HG3 GLU 29 3HG GLU 29 -10.185 11.189 -0.129 244 H ASN 30 H ASN 30 -12.843 11.679 4.363 245 HA ASN 30 HA ASN 30 -11.220 10.491 6.339 246 HB2 ASN 30 2HB ASN 30 -13.445 12.473 6.318 247 HB3 ASN 30 3HB ASN 30 -13.034 11.725 7.858 248 HD21 ASN 30 1HD2 ASN 30 -12.274 13.630 8.732 249 HD22 ASN 30 2HD2 ASN 30 -10.785 14.352 8.234 250 H CYS 31 H CYS 31 -14.748 10.310 5.849 251 HA CYS 31 HA CYS 31 -15.156 8.348 7.852 252 HB2 CYS 31 2HB CYS 31 -16.779 9.620 5.727 253 HB3 CYS 31 3HB CYS 31 -17.320 8.032 6.260 254 HG CYS 31 HG CYS 31 -16.944 9.248 9.057 255 H LYS 32 H LYS 32 -14.830 8.163 4.327 256 HA LYS 32 HA LYS 32 -15.280 5.399 4.080 257 HB2 LYS 32 2HB LYS 32 -15.337 6.927 2.167 258 HB3 LYS 32 3HB LYS 32 -13.614 7.232 2.345 259 HG2 LYS 32 2HG LYS 32 -13.123 4.918 1.806 260 HG3 LYS 32 3HG LYS 32 -14.848 4.563 1.691 261 HD2 LYS 32 2HD LYS 32 -14.926 5.300 -0.410 262 HD3 LYS 32 3HD LYS 32 -14.150 6.822 0.037 263 HE2 LYS 32 2HE LYS 32 -12.652 4.246 -0.412 264 HE3 LYS 32 3HE LYS 32 -12.919 5.452 -1.670 265 HZ1 LYS 32 3HZ LYS 32 -11.564 6.978 -0.609 266 HZ2 LYS 32 1HZ LYS 32 -10.746 5.522 -0.336 267 HZ3 LYS 32 2HZ LYS 32 -11.678 6.212 0.895 268 H LYS 33 H LYS 33 -12.459 7.239 4.978 269 HA LYS 33 HA LYS 33 -10.476 5.308 4.541 270 HB2 LYS 33 2HB LYS 33 -10.738 7.796 6.083 271 HB3 LYS 33 3HB LYS 33 -9.578 6.655 6.751 272 HG2 LYS 33 2HG LYS 33 -8.300 6.653 4.752 273 HG3 LYS 33 3HG LYS 33 -9.553 7.536 3.877 274 HD2 LYS 33 2HD LYS 33 -9.132 9.304 5.806 275 HD3 LYS 33 3HD LYS 33 -7.554 8.514 5.850 276 HE2 LYS 33 2HE LYS 33 -6.973 9.256 3.771 277 HE3 LYS 33 3HE LYS 33 -8.639 9.288 3.197 278 HZ1 LYS 33 3HZ LYS 33 -7.386 11.251 5.040 279 HZ2 LYS 33 1HZ LYS 33 -9.009 11.267 4.562 280 HZ3 LYS 33 2HZ LYS 33 -7.788 11.517 3.418 281 H ARG 34 H ARG 34 -13.008 5.418 6.826 282 HA ARG 34 HA ARG 34 -11.738 3.794 8.829 283 HB2 ARG 34 2HB ARG 34 -13.718 5.462 9.095 284 HB3 ARG 34 3HB ARG 34 -14.709 4.114 8.554 285 HG2 ARG 34 2HG ARG 34 -13.942 2.766 10.417 286 HG3 ARG 34 3HG ARG 34 -12.878 4.072 10.943 287 HD2 ARG 34 2HD ARG 34 -15.120 5.452 10.927 288 HD3 ARG 34 3HD ARG 34 -15.844 3.853 11.095 289 HE ARG 34 HE ARG 34 -14.431 5.320 13.100 290 HH11 ARG 34 1HH1 ARG 34 -15.210 2.120 11.971 291 HH12 ARG 34 2HH1 ARG 34 -15.023 1.384 13.528 292 HH21 ARG 34 1HH2 ARG 34 -14.182 4.362 15.155 293 HH22 ARG 34 2HH2 ARG 34 -14.439 2.660 15.339 294 H ASN 35 H ASN 35 -12.792 3.125 5.786 295 HA ASN 35 HA ASN 35 -13.184 0.292 6.454 296 HB2 ASN 35 2HB ASN 35 -15.262 1.871 5.636 297 HB3 ASN 35 3HB ASN 35 -14.688 1.224 4.102 298 HD21 ASN 35 1HD2 ASN 35 -14.590 -1.075 3.859 299 HD22 ASN 35 2HD2 ASN 35 -15.661 -2.086 4.763 300 H MET 36 H MET 36 -12.789 2.497 3.675 301 HA MET 36 HA MET 36 -10.806 0.605 2.592 302 HB2 MET 36 2HB MET 36 -12.675 2.438 1.080 303 HB3 MET 36 3HB MET 36 -11.433 1.434 0.345 304 HG2 MET 36 2HG MET 36 -13.435 0.107 2.083 305 HG3 MET 36 3HG MET 36 -13.958 0.673 0.498 306 HE1 MET 36 3HE MET 36 -12.558 -2.509 2.244 307 HE2 MET 36 1HE MET 36 -14.142 -2.140 1.562 308 HE3 MET 36 2HE MET 36 -13.104 -3.333 0.782 309 HA PRO 37 HA PRO 37 -8.665 4.617 3.517 310 HB2 PRO 37 2HB PRO 37 -6.468 3.458 4.612 311 HB3 PRO 37 3HB PRO 37 -7.922 3.832 5.545 312 HG2 PRO 37 2HG PRO 37 -7.048 1.224 4.362 313 HG3 PRO 37 3HG PRO 37 -7.751 1.550 5.957 314 HD2 PRO 37 2HD PRO 37 -9.208 0.572 3.895 315 HD3 PRO 37 3HD PRO 37 -9.900 1.643 5.130 316 H LEU 38 H LEU 38 -6.676 5.425 2.619 317 HA LEU 38 HA LEU 38 -5.578 3.755 0.455 318 HB2 LEU 38 2HB LEU 38 -7.140 5.931 0.049 319 HB3 LEU 38 3HB LEU 38 -5.541 6.671 0.064 320 HG LEU 38 HG LEU 38 -5.112 4.627 -1.648 321 HD11 LEU 38 1HD1 LEU 38 -6.939 3.812 -2.610 322 HD12 LEU 38 2HD1 LEU 38 -7.601 5.426 -2.868 323 HD13 LEU 38 3HD1 LEU 38 -7.876 4.595 -1.337 324 HD21 LEU 38 3HD2 LEU 38 -4.416 6.532 -2.593 325 HD22 LEU 38 1HD2 LEU 38 -5.704 7.480 -1.851 326 HD23 LEU 38 2HD2 LEU 38 -6.015 6.581 -3.337 327 H GLN 39 H GLN 39 -3.643 5.553 -0.429 328 HA GLN 39 HA GLN 39 -1.604 5.128 1.522 329 HB2 GLN 39 2HB GLN 39 -1.728 5.704 -1.252 330 HB3 GLN 39 3HB GLN 39 -0.755 6.963 -0.504 331 HG2 GLN 39 2HG GLN 39 -0.276 4.028 -0.073 332 HG3 GLN 39 3HG GLN 39 0.505 4.968 -1.343 333 HE21 GLN 39 1HE2 GLN 39 1.493 3.564 1.125 334 HE22 GLN 39 2HE2 GLN 39 2.445 4.750 1.943 335 H SER 40 H SER 40 -3.459 7.908 0.426 336 HA SER 40 HA SER 40 -2.940 9.333 2.841 337 HB2 SER 40 2HB SER 40 -1.225 9.838 0.529 338 HB3 SER 40 3HB SER 40 -2.042 11.292 1.102 339 HG SER 40 HG SER 40 -1.269 10.392 3.277 340 H ILE 41 H ILE 41 -3.441 10.566 -0.451 341 HA ILE 41 HA ILE 41 -6.179 11.320 0.337 342 HB ILE 41 HB ILE 41 -4.380 12.917 -1.488 343 HG12 ILE 41 2HG1 ILE 41 -3.542 12.993 0.810 344 HG13 ILE 41 3HG1 ILE 41 -4.248 14.542 0.359 345 HG21 ILE 41 1HG2 ILE 41 -6.417 13.623 -2.160 346 HG22 ILE 41 2HG2 ILE 41 -7.209 13.094 -0.676 347 HG23 ILE 41 3HG2 ILE 41 -6.311 14.612 -0.704 348 HD11 ILE 41 3HD1 ILE 41 -6.288 12.972 1.531 349 HD12 ILE 41 1HD1 ILE 41 -4.865 12.886 2.570 350 HD13 ILE 41 2HD1 ILE 41 -5.549 14.454 2.138 351 HA PRO 42 HA PRO 42 -6.754 8.654 -3.296 352 HB2 PRO 42 2HB PRO 42 -9.329 8.041 -2.691 353 HB3 PRO 42 3HB PRO 42 -7.948 7.216 -1.958 354 HG2 PRO 42 2HG PRO 42 -9.633 9.432 -0.857 355 HG3 PRO 42 3HG PRO 42 -9.028 7.977 -0.044 356 HD2 PRO 42 2HD PRO 42 -7.856 10.401 0.244 357 HD3 PRO 42 3HD PRO 42 -6.936 8.883 0.294 358 H GLU 43 H GLU 43 -6.925 9.872 -5.088 359 HA GLU 43 HA GLU 43 -9.470 11.133 -5.665 360 HB2 GLU 43 2HB GLU 43 -8.182 12.927 -4.566 361 HB3 GLU 43 3HB GLU 43 -6.900 12.722 -5.751 362 HG2 GLU 43 2HG GLU 43 -8.621 13.265 -7.517 363 HG3 GLU 43 3HG GLU 43 -9.684 13.749 -6.197 364 H ILE 44 H ILE 44 -9.932 11.211 -7.830 365 HA ILE 44 HA ILE 44 -7.845 10.697 -9.783 366 HB ILE 44 HB ILE 44 -10.130 8.777 -9.342 367 HG12 ILE 44 2HG1 ILE 44 -8.089 8.433 -7.970 368 HG13 ILE 44 3HG1 ILE 44 -8.381 7.110 -9.094 369 HG21 ILE 44 1HG2 ILE 44 -8.532 9.381 -11.752 370 HG22 ILE 44 2HG2 ILE 44 -8.786 7.677 -11.380 371 HG23 ILE 44 3HG2 ILE 44 -10.171 8.746 -11.605 372 HD11 ILE 44 3HD1 ILE 44 -6.023 7.715 -8.980 373 HD12 ILE 44 1HD1 ILE 44 -6.686 7.985 -10.591 374 HD13 ILE 44 2HD1 ILE 44 -6.416 9.350 -9.508 375 H GLY 45 H GLY 45 -8.217 11.865 -11.553 376 HA2 GLY 45 2HA GLY 45 -9.604 12.557 -13.374 377 HA3 GLY 45 3HA GLY 45 -10.997 12.456 -12.308 378 H ASN 46 H ASN 46 -11.231 14.094 -10.647 379 HA ASN 46 HA ASN 46 -9.627 16.366 -10.419 380 HB2 ASN 46 2HB ASN 46 -10.886 16.388 -12.864 381 HB3 ASN 46 3HB ASN 46 -11.982 17.343 -11.870 382 HD21 ASN 46 1HD2 ASN 46 -9.734 17.753 -14.021 383 HD22 ASN 46 2HD2 ASN 46 -8.909 19.146 -13.419 384 H ARG 47 H ARG 47 -11.320 14.555 -8.889 385 HA ARG 47 HA ARG 47 -12.711 14.601 -7.090 386 HB2 ARG 47 2HB ARG 47 -12.302 17.593 -7.245 387 HB3 ARG 47 3HB ARG 47 -12.926 16.705 -5.861 388 HG2 ARG 47 2HG ARG 47 -10.869 16.423 -5.108 389 HG3 ARG 47 3HG ARG 47 -10.438 15.556 -6.583 390 HD2 ARG 47 2HD ARG 47 -8.934 17.415 -6.283 391 HD3 ARG 47 3HD ARG 47 -9.971 17.724 -7.674 392 HE ARG 47 HE ARG 47 -10.755 19.570 -6.596 393 HH11 ARG 47 1HH1 ARG 47 -9.424 17.391 -4.229 394 HH12 ARG 47 2HH1 ARG 47 -9.649 18.484 -2.904 395 HH21 ARG 47 1HH2 ARG 47 -11.056 21.019 -4.860 396 HH22 ARG 47 2HH2 ARG 47 -10.577 20.548 -3.264 397 H LYS 48 H LYS 48 -14.722 13.987 -7.536 398 HA LYS 48 HA LYS 48 -16.611 16.010 -8.512 399 HB2 LYS 48 2HB LYS 48 -16.222 13.231 -9.617 400 HB3 LYS 48 3HB LYS 48 -17.700 14.150 -9.870 401 HG2 LYS 48 2HG LYS 48 -16.688 15.657 -11.271 402 HG3 LYS 48 3HG LYS 48 -15.088 15.395 -10.574 403 HD2 LYS 48 2HD LYS 48 -15.893 12.926 -11.650 404 HD3 LYS 48 3HD LYS 48 -16.304 14.148 -12.856 405 HE2 LYS 48 2HE LYS 48 -13.650 14.405 -11.589 406 HE3 LYS 48 3HE LYS 48 -13.873 13.010 -12.644 407 HZ1 LYS 48 3HZ LYS 48 -13.141 14.632 -14.086 408 HZ2 LYS 48 1HZ LYS 48 -13.991 15.875 -13.315 409 HZ3 LYS 48 2HZ LYS 48 -14.818 14.751 -14.270 410 H ILE 49 H ILE 49 -15.857 14.327 -5.980 411 HA ILE 49 HA ILE 49 -18.372 12.995 -5.427 412 HB ILE 49 HB ILE 49 -16.228 13.487 -3.386 413 HG12 ILE 49 2HG1 ILE 49 -15.657 10.995 -4.376 414 HG13 ILE 49 3HG1 ILE 49 -16.049 11.884 -5.843 415 HG21 ILE 49 1HG2 ILE 49 -18.310 11.361 -3.827 416 HG22 ILE 49 2HG2 ILE 49 -17.014 11.213 -2.642 417 HG23 ILE 49 3HG2 ILE 49 -18.197 12.512 -2.496 418 HD11 ILE 49 3HD1 ILE 49 -14.248 13.273 -5.645 419 HD12 ILE 49 1HD1 ILE 49 -14.168 13.103 -3.892 420 HD13 ILE 49 2HD1 ILE 49 -13.603 11.795 -4.932 421 H ASN 50 H ASN 50 -17.539 16.121 -5.510 422 HA ASN 50 HA ASN 50 -18.530 17.062 -2.998 423 HB2 ASN 50 2HB ASN 50 -16.932 18.370 -4.342 424 HB3 ASN 50 3HB ASN 50 -18.144 18.547 -5.607 425 HD21 ASN 50 1HD2 ASN 50 -18.397 20.710 -5.552 426 HD22 ASN 50 2HD2 ASN 50 -18.997 21.584 -4.188 427 H LEU 51 H LEU 51 -20.474 18.248 -2.643 428 HA LEU 51 HA LEU 51 -22.762 17.048 -3.831 429 HB2 LEU 51 2HB LEU 51 -22.616 17.863 -1.481 430 HB3 LEU 51 3HB LEU 51 -22.640 19.512 -2.101 431 HG LEU 51 HG LEU 51 -24.897 18.272 -3.197 432 HD11 LEU 51 1HD1 LEU 51 -24.859 17.760 -0.238 433 HD12 LEU 51 2HD1 LEU 51 -24.447 16.515 -1.416 434 HD13 LEU 51 3HD1 LEU 51 -26.052 17.245 -1.431 435 HD21 LEU 51 3HD2 LEU 51 -24.260 20.392 -1.250 436 HD22 LEU 51 1HD2 LEU 51 -25.901 19.748 -1.181 437 HD23 LEU 51 2HD2 LEU 51 -25.286 20.434 -2.685 438 H PHE 52 H PHE 52 -20.838 19.740 -4.652 439 HA PHE 52 HA PHE 52 -22.957 20.986 -6.234 440 HB2 PHE 52 2HB PHE 52 -20.798 22.027 -4.816 441 HB3 PHE 52 3HB PHE 52 -20.318 22.179 -6.503 442 HD1 PHE 52 HD2 PHE 52 -22.842 23.137 -4.003 443 HD2 PHE 52 HD1 PHE 52 -21.368 23.742 -7.950 444 HE1 PHE 52 HE2 PHE 52 -24.241 25.149 -4.213 445 HE2 PHE 52 HE1 PHE 52 -22.764 25.757 -8.166 446 HZ PHE 52 HZ PHE 52 -24.204 26.462 -6.297 447 H TYR 53 H TYR 53 -19.940 19.233 -6.585 448 HA TYR 53 HA TYR 53 -19.740 19.607 -9.414 449 HB2 TYR 53 2HB TYR 53 -17.954 18.868 -7.555 450 HB3 TYR 53 3HB TYR 53 -18.424 17.273 -8.131 451 HD1 TYR 53 HD2 TYR 53 -18.772 17.570 -10.963 452 HD2 TYR 53 HD1 TYR 53 -15.888 19.409 -8.432 453 HE1 TYR 53 HE2 TYR 53 -17.250 17.810 -12.880 454 HE2 TYR 53 HE1 TYR 53 -14.359 19.655 -10.343 455 HH TYR 53 HH TYR 53 -15.120 19.648 -13.319 456 H LEU 54 H LEU 54 -20.620 16.818 -7.377 457 HA LEU 54 HA LEU 54 -21.331 15.109 -9.488 458 HB2 LEU 54 2HB LEU 54 -22.131 13.656 -7.878 459 HB3 LEU 54 3HB LEU 54 -20.922 14.592 -7.002 460 HG LEU 54 HG LEU 54 -23.065 16.036 -6.368 461 HD11 LEU 54 1HD1 LEU 54 -25.065 15.025 -6.505 462 HD12 LEU 54 2HD1 LEU 54 -24.398 13.426 -6.181 463 HD13 LEU 54 3HD1 LEU 54 -24.304 14.107 -7.805 464 HD21 LEU 54 3HD2 LEU 54 -22.913 15.104 -4.273 465 HD22 LEU 54 1HD2 LEU 54 -21.380 14.596 -4.980 466 HD23 LEU 54 2HD2 LEU 54 -22.729 13.464 -4.895 467 H TYR 55 H TYR 55 -23.100 17.606 -7.803 468 HA TYR 55 HA TYR 55 -25.671 16.859 -8.817 469 HB2 TYR 55 2HB TYR 55 -25.572 18.100 -6.757 470 HB3 TYR 55 3HB TYR 55 -24.662 19.397 -7.523 471 HD1 TYR 55 HD2 TYR 55 -27.884 17.585 -8.123 472 HD2 TYR 55 HD1 TYR 55 -25.855 21.320 -7.926 473 HE1 TYR 55 HE2 TYR 55 -29.988 18.749 -8.638 474 HE2 TYR 55 HE1 TYR 55 -27.954 22.494 -8.439 475 HH TYR 55 HH TYR 55 -30.157 22.290 -8.720 476 H MET 56 H MET 56 -23.295 19.368 -9.641 477 HA MET 56 HA MET 56 -24.741 20.595 -11.695 478 HB2 MET 56 2HB MET 56 -22.699 21.542 -10.683 479 HB3 MET 56 3HB MET 56 -21.742 20.287 -11.459 480 HG2 MET 56 2HG MET 56 -22.270 21.141 -13.632 481 HG3 MET 56 3HG MET 56 -23.411 22.296 -12.948 482 HE1 MET 56 3HE MET 56 -21.791 24.071 -10.602 483 HE2 MET 56 1HE MET 56 -21.578 25.220 -11.923 484 HE3 MET 56 2HE MET 56 -23.032 24.225 -11.846 485 H LEU 57 H LEU 57 -22.530 17.834 -11.762 486 HA LEU 57 HA LEU 57 -22.433 17.496 -14.546 487 HB2 LEU 57 2HB LEU 57 -21.702 15.974 -12.176 488 HB3 LEU 57 3HB LEU 57 -22.228 14.947 -13.508 489 HG LEU 57 HG LEU 57 -20.076 17.031 -13.808 490 HD11 LEU 57 1HD1 LEU 57 -18.517 15.055 -13.673 491 HD12 LEU 57 2HD1 LEU 57 -19.858 14.150 -12.973 492 HD13 LEU 57 3HD1 LEU 57 -19.231 15.575 -12.146 493 HD21 LEU 57 3HD2 LEU 57 -19.460 15.444 -15.696 494 HD22 LEU 57 1HD2 LEU 57 -20.922 16.407 -15.911 495 HD23 LEU 57 2HD2 LEU 57 -21.045 14.709 -15.451 496 H VAL 58 H VAL 58 -24.546 15.996 -12.110 497 HA VAL 58 HA VAL 58 -26.018 14.368 -13.838 498 HB VAL 58 HB VAL 58 -26.940 15.697 -11.285 499 HG11 VAL 58 1HG1 VAL 58 -28.321 13.363 -11.474 500 HG12 VAL 58 2HG1 VAL 58 -28.949 14.942 -11.951 501 HG13 VAL 58 3HG1 VAL 58 -28.253 13.864 -13.163 502 HG21 VAL 58 3HG2 VAL 58 -24.899 13.928 -11.557 503 HG22 VAL 58 1HG2 VAL 58 -25.901 14.084 -10.113 504 HG23 VAL 58 2HG2 VAL 58 -26.263 12.838 -11.308 505 H GLN 59 H GLN 59 -26.640 17.694 -12.754 506 HA GLN 59 HA GLN 59 -29.091 18.067 -14.034 507 HB2 GLN 59 2HB GLN 59 -27.487 19.598 -12.441 508 HB3 GLN 59 3HB GLN 59 -27.324 20.419 -13.988 509 HG2 GLN 59 2HG GLN 59 -30.049 19.708 -13.043 510 HG3 GLN 59 3HG GLN 59 -29.214 21.058 -12.278 511 HE21 GLN 59 1HE2 GLN 59 -31.341 20.301 -14.612 512 HE22 GLN 59 2HE2 GLN 59 -31.103 21.631 -15.689 513 H LYS 60 H LYS 60 -25.807 18.312 -15.243 514 HA LYS 60 HA LYS 60 -26.538 19.490 -17.748 515 HB2 LYS 60 2HB LYS 60 -24.314 19.867 -16.954 516 HB3 LYS 60 3HB LYS 60 -24.020 18.142 -16.772 517 HG2 LYS 60 2HG LYS 60 -22.876 19.033 -18.722 518 HG3 LYS 60 3HG LYS 60 -24.108 17.859 -19.190 519 HD2 LYS 60 2HD LYS 60 -25.629 19.653 -19.785 520 HD3 LYS 60 3HD LYS 60 -24.462 20.857 -19.233 521 HE2 LYS 60 2HE LYS 60 -22.960 19.437 -20.990 522 HE3 LYS 60 3HE LYS 60 -24.554 19.310 -21.732 523 HZ1 LYS 60 3HZ LYS 60 -22.912 21.697 -21.258 524 HZ2 LYS 60 1HZ LYS 60 -24.596 21.858 -21.284 525 HZ3 LYS 60 2HZ LYS 60 -23.784 21.249 -22.637 526 H PHE 61 H PHE 61 -26.132 16.236 -16.532 527 HA PHE 61 HA PHE 61 -26.170 14.982 -19.108 528 HB2 PHE 61 2HB PHE 61 -26.017 14.126 -16.302 529 HB3 PHE 61 3HB PHE 61 -26.901 13.014 -17.343 530 HD1 PHE 61 HD2 PHE 61 -23.691 14.878 -17.119 531 HD2 PHE 61 HD1 PHE 61 -25.750 11.470 -18.623 532 HE1 PHE 61 HE2 PHE 61 -21.560 13.952 -17.929 533 HE2 PHE 61 HE1 PHE 61 -23.622 10.538 -19.435 534 HZ PHE 61 HZ PHE 61 -21.524 11.780 -19.089 535 H GLY 62 H GLY 62 -28.522 16.482 -17.280 536 HA2 GLY 62 2HA GLY 62 -30.738 16.744 -18.141 537 HA3 GLY 62 3HA GLY 62 -30.627 15.127 -18.821 538 H GLY 63 H GLY 63 -29.493 15.582 -15.597 539 HA2 GLY 63 2HA GLY 63 -30.672 15.321 -13.556 540 HA3 GLY 63 3HA GLY 63 -32.055 14.724 -14.461 541 H ALA 64 H ALA 64 -31.226 13.406 -12.213 542 HA ALA 64 HA ALA 64 -29.363 11.352 -12.583 543 HB1 ALA 64 1HB ALA 64 -30.020 10.597 -10.550 544 HB2 ALA 64 2HB ALA 64 -30.784 12.185 -10.482 545 HB3 ALA 64 3HB ALA 64 -31.737 10.767 -10.918 546 H ASP 65 H ASP 65 -32.718 11.626 -13.538 547 HA ASP 65 HA ASP 65 -33.173 8.897 -14.122 548 HB2 ASP 65 2HB ASP 65 -34.479 11.412 -15.171 549 HB3 ASP 65 3HB ASP 65 -35.048 9.788 -15.547 550 H GLN 66 H GLN 66 -31.872 11.573 -16.000 551 HA GLN 66 HA GLN 66 -31.840 10.200 -18.490 552 HB2 GLN 66 2HB GLN 66 -31.583 12.774 -17.858 553 HB3 GLN 66 3HB GLN 66 -29.874 12.366 -17.937 554 HG2 GLN 66 2HG GLN 66 -29.887 12.362 -20.153 555 HG3 GLN 66 3HG GLN 66 -31.313 11.326 -20.214 556 HE21 GLN 66 1HE2 GLN 66 -30.522 13.695 -21.801 557 HE22 GLN 66 2HE2 GLN 66 -31.848 14.794 -21.670 558 H VAL 67 H VAL 67 -29.511 10.605 -15.878 559 HA VAL 67 HA VAL 67 -27.303 9.443 -17.220 560 HB VAL 67 HB VAL 67 -27.821 9.578 -14.247 561 HG11 VAL 67 1HG1 VAL 67 -26.068 8.078 -14.482 562 HG12 VAL 67 2HG1 VAL 67 -25.411 8.911 -15.892 563 HG13 VAL 67 3HG1 VAL 67 -25.234 9.619 -14.287 564 HG21 VAL 67 3HG2 VAL 67 -27.898 11.770 -15.474 565 HG22 VAL 67 1HG2 VAL 67 -26.652 11.651 -14.231 566 HG23 VAL 67 2HG2 VAL 67 -26.218 11.492 -15.933 567 H THR 68 H THR 68 -29.938 8.128 -15.316 568 HA THR 68 HA THR 68 -28.778 5.467 -15.288 569 HB THR 68 HB THR 68 -30.055 6.268 -13.331 570 HG1 THR 68 HG1 THR 68 -31.536 4.156 -14.494 571 HG21 THR 68 3HG2 THR 68 -32.462 6.504 -13.430 572 HG22 THR 68 1HG2 THR 68 -32.462 6.110 -15.148 573 HG23 THR 68 2HG2 THR 68 -31.718 7.608 -14.587 574 H ARG 69 H ARG 69 -31.058 7.308 -17.137 575 HA ARG 69 HA ARG 69 -32.508 5.177 -18.292 576 HB2 ARG 69 2HB ARG 69 -33.344 7.450 -18.391 577 HB3 ARG 69 3HB ARG 69 -31.942 7.961 -19.321 578 HG2 ARG 69 2HG ARG 69 -33.824 7.732 -20.788 579 HG3 ARG 69 3HG ARG 69 -32.655 6.460 -21.149 580 HD2 ARG 69 2HD ARG 69 -34.788 5.433 -21.162 581 HD3 ARG 69 3HD ARG 69 -34.012 4.952 -19.654 582 HE ARG 69 HE ARG 69 -35.648 6.062 -18.504 583 HH11 ARG 69 1HH1 ARG 69 -35.673 7.121 -21.820 584 HH12 ARG 69 2HH1 ARG 69 -37.126 8.049 -21.650 585 HH21 ARG 69 1HH2 ARG 69 -37.562 7.280 -18.267 586 HH22 ARG 69 2HH2 ARG 69 -38.199 8.140 -19.628 587 H THR 70 H THR 70 -29.507 6.793 -19.180 588 HA THR 70 HA THR 70 -29.212 4.962 -21.462 589 HB THR 70 HB THR 70 -27.244 6.534 -22.020 590 HG1 THR 70 HG1 THR 70 -27.849 8.733 -21.137 591 HG21 THR 70 3HG2 THR 70 -29.204 6.533 -23.386 592 HG22 THR 70 1HG2 THR 70 -28.812 8.215 -23.036 593 HG23 THR 70 2HG2 THR 70 -30.124 7.418 -22.170 594 H GLN 71 H GLN 71 -28.514 4.897 -18.343 595 HA GLN 71 HA GLN 71 -26.935 3.927 -17.019 596 HB2 GLN 71 2HB GLN 71 -26.392 2.432 -19.588 597 HB3 GLN 71 3HB GLN 71 -25.756 1.971 -18.015 598 HG2 GLN 71 2HG GLN 71 -27.702 1.084 -17.338 599 HG3 GLN 71 3HG GLN 71 -28.666 2.333 -18.123 600 HE21 GLN 71 1HE2 GLN 71 -29.368 2.035 -20.209 601 HE22 GLN 71 2HE2 GLN 71 -29.251 0.521 -21.032 602 H GLN 72 H GLN 72 -26.130 6.374 -17.876 603 HA GLN 72 HA GLN 72 -23.449 6.186 -18.963 604 HB2 GLN 72 2HB GLN 72 -25.270 8.441 -18.201 605 HB3 GLN 72 3HB GLN 72 -23.553 8.742 -18.431 606 HG2 GLN 72 2HG GLN 72 -25.382 7.519 -20.485 607 HG3 GLN 72 3HG GLN 72 -24.894 9.212 -20.437 608 HE21 GLN 72 1HE2 GLN 72 -24.250 6.270 -21.773 609 HE22 GLN 72 2HE2 GLN 72 -22.624 6.541 -22.289 610 H TRP 73 H TRP 73 -24.857 5.925 -15.939 611 HA TRP 73 HA TRP 73 -23.206 7.284 -14.201 612 HB2 TRP 73 2HB TRP 73 -25.121 6.109 -13.360 613 HB3 TRP 73 3HB TRP 73 -24.486 4.563 -13.915 614 HD1 TRP 73 HD1 TRP 73 -23.787 3.184 -11.886 615 HE1 TRP 73 HE1 TRP 73 -22.569 3.643 -9.665 616 HE3 TRP 73 HE3 TRP 73 -23.156 8.238 -12.335 617 HZ2 TRP 73 HZ2 TRP 73 -21.485 5.855 -8.286 618 HZ3 TRP 73 HZ3 TRP 73 -22.019 9.450 -10.521 619 HH2 TRP 73 HH2 TRP 73 -21.202 8.282 -8.539 620 H SER 74 H SER 74 -22.649 4.167 -15.776 621 HA SER 74 HA SER 74 -20.244 3.547 -14.432 622 HB2 SER 74 2HB SER 74 -20.990 2.661 -17.223 623 HB3 SER 74 3HB SER 74 -19.944 1.828 -16.073 624 HG SER 74 HG SER 74 -21.825 1.608 -14.724 625 H MET 75 H MET 75 -20.954 5.377 -17.350 626 HA MET 75 HA MET 75 -18.240 5.643 -18.182 627 HB2 MET 75 2HB MET 75 -20.145 5.875 -19.734 628 HB3 MET 75 3HB MET 75 -20.642 7.337 -18.893 629 HG2 MET 75 2HG MET 75 -18.960 8.591 -19.778 630 HG3 MET 75 3HG MET 75 -17.876 7.214 -19.956 631 HE1 MET 75 3HE MET 75 -18.460 5.280 -22.335 632 HE2 MET 75 1HE MET 75 -17.862 6.518 -23.440 633 HE3 MET 75 2HE MET 75 -17.201 6.398 -21.810 634 H VAL 76 H VAL 76 -20.509 7.793 -16.490 635 HA VAL 76 HA VAL 76 -18.681 9.932 -16.172 636 HB VAL 76 HB VAL 76 -21.111 9.278 -14.499 637 HG11 VAL 76 1HG1 VAL 76 -19.396 11.730 -14.745 638 HG12 VAL 76 2HG1 VAL 76 -21.060 11.807 -14.163 639 HG13 VAL 76 3HG1 VAL 76 -19.862 10.852 -13.289 640 HG21 VAL 76 3HG2 VAL 76 -22.224 10.964 -15.969 641 HG22 VAL 76 1HG2 VAL 76 -20.795 10.927 -17.001 642 HG23 VAL 76 2HG2 VAL 76 -21.769 9.473 -16.793 643 H ALA 77 H ALA 77 -19.800 7.437 -13.886 644 HA ALA 77 HA ALA 77 -18.210 8.172 -11.720 645 HB1 ALA 77 1HB ALA 77 -20.063 6.574 -11.571 646 HB2 ALA 77 2HB ALA 77 -19.110 5.393 -12.471 647 HB3 ALA 77 3HB ALA 77 -18.579 5.922 -10.875 648 H GLN 78 H GLN 78 -17.471 6.157 -14.513 649 HA GLN 78 HA GLN 78 -15.041 5.085 -13.617 650 HB2 GLN 78 2HB GLN 78 -16.101 4.160 -15.558 651 HB3 GLN 78 3HB GLN 78 -16.035 5.703 -16.398 652 HG2 GLN 78 2HG GLN 78 -13.400 4.893 -15.603 653 HG3 GLN 78 3HG GLN 78 -14.190 3.609 -16.516 654 HE21 GLN 78 1HE2 GLN 78 -13.911 3.701 -18.617 655 HE22 GLN 78 2HE2 GLN 78 -13.606 5.124 -19.548 656 H ARG 79 H ARG 79 -15.839 8.186 -15.027 657 HA ARG 79 HA ARG 79 -13.292 9.052 -15.764 658 HB2 ARG 79 2HB ARG 79 -15.860 10.159 -15.643 659 HB3 ARG 79 3HB ARG 79 -14.867 11.202 -14.635 660 HG2 ARG 79 2HG ARG 79 -13.549 11.877 -16.391 661 HG3 ARG 79 3HG ARG 79 -13.883 10.426 -17.338 662 HD2 ARG 79 2HD ARG 79 -16.072 11.189 -17.881 663 HD3 ARG 79 3HD ARG 79 -15.962 12.514 -16.723 664 HE ARG 79 HE ARG 79 -14.840 13.742 -18.293 665 HH11 ARG 79 1HH1 ARG 79 -14.815 10.393 -19.240 666 HH12 ARG 79 2HH1 ARG 79 -14.123 10.703 -20.798 667 HH21 ARG 79 1HH2 ARG 79 -13.929 14.164 -20.340 668 HH22 ARG 79 2HH2 ARG 79 -13.618 12.849 -21.422 669 H LEU 80 H LEU 80 -14.963 9.247 -12.649 670 HA LEU 80 HA LEU 80 -12.555 10.374 -11.422 671 HB2 LEU 80 2HB LEU 80 -14.917 11.288 -11.046 672 HB3 LEU 80 3HB LEU 80 -15.173 9.861 -10.044 673 HG LEU 80 HG LEU 80 -12.976 10.760 -8.858 674 HD11 LEU 80 1HD1 LEU 80 -14.261 13.333 -9.724 675 HD12 LEU 80 2HD1 LEU 80 -12.863 12.648 -10.552 676 HD13 LEU 80 3HD1 LEU 80 -12.747 13.099 -8.851 677 HD21 LEU 80 3HD2 LEU 80 -15.815 11.670 -8.468 678 HD22 LEU 80 1HD2 LEU 80 -14.521 12.082 -7.342 679 HD23 LEU 80 2HD2 LEU 80 -14.944 10.392 -7.618 680 H GLN 81 H GLN 81 -13.650 7.406 -12.146 681 HA GLN 81 HA GLN 81 -13.103 5.310 -11.449 682 HB2 GLN 81 2HB GLN 81 -10.873 6.531 -11.021 683 HB3 GLN 81 3HB GLN 81 -11.345 6.514 -9.327 684 HG2 GLN 81 2HG GLN 81 -11.570 4.029 -9.507 685 HG3 GLN 81 3HG GLN 81 -10.856 4.149 -11.115 686 HE21 GLN 81 1HE2 GLN 81 -8.693 4.476 -11.327 687 HE22 GLN 81 2HE2 GLN 81 -7.591 4.489 -9.997 688 H ILE 82 H ILE 82 -15.357 6.682 -10.332 689 HA ILE 82 HA ILE 82 -15.467 6.006 -7.524 690 HB ILE 82 HB ILE 82 -17.608 7.008 -9.403 691 HG12 ILE 82 2HG1 ILE 82 -16.377 8.527 -7.123 692 HG13 ILE 82 3HG1 ILE 82 -15.579 8.474 -8.691 693 HG21 ILE 82 1HG2 ILE 82 -17.690 6.142 -6.569 694 HG22 ILE 82 2HG2 ILE 82 -18.608 7.581 -7.010 695 HG23 ILE 82 3HG2 ILE 82 -18.930 6.048 -7.820 696 HD11 ILE 82 3HD1 ILE 82 -17.278 10.387 -8.022 697 HD12 ILE 82 1HD1 ILE 82 -17.130 9.795 -9.677 698 HD13 ILE 82 2HD1 ILE 82 -18.441 9.218 -8.647 699 H SER 83 H SER 83 -16.983 4.852 -10.522 700 HA SER 83 HA SER 83 -17.990 2.509 -9.067 701 HB2 SER 83 2HB SER 83 -19.607 3.843 -10.427 702 HB3 SER 83 3HB SER 83 -18.683 3.422 -11.869 703 HG SER 83 HG SER 83 -19.264 1.318 -11.635 704 H ASP 84 H ASP 84 -15.692 1.774 -9.021 705 HA ASP 84 HA ASP 84 -14.626 0.804 -11.544 706 HB2 ASP 84 2HB ASP 84 -13.607 1.018 -8.744 707 HB3 ASP 84 3HB ASP 84 -12.866 -0.165 -9.819 708 H TYR 85 H TYR 85 -16.858 -0.471 -11.448 709 HA TYR 85 HA TYR 85 -17.769 -2.555 -11.589 710 HB2 TYR 85 2HB TYR 85 -15.215 -3.729 -10.513 711 HB3 TYR 85 3HB TYR 85 -16.388 -4.465 -11.601 712 HD1 TYR 85 HD1 TYR 85 -16.745 -2.543 -13.709 713 HD2 TYR 85 HD2 TYR 85 -13.189 -3.568 -11.611 714 HE1 TYR 85 HE1 TYR 85 -15.405 -1.829 -15.644 715 HE2 TYR 85 HE2 TYR 85 -11.839 -2.855 -13.539 716 HH TYR 85 HH TYR 85 -12.485 -2.673 -16.270 717 H GLN 86 H GLN 86 -16.679 -4.685 -9.627 718 HA GLN 86 HA GLN 86 -18.669 -4.575 -7.730 719 HB2 GLN 86 2HB GLN 86 -17.408 -6.217 -6.468 720 HB3 GLN 86 3HB GLN 86 -17.273 -6.561 -8.187 721 HG2 GLN 86 2HG GLN 86 -15.088 -5.071 -7.905 722 HG3 GLN 86 3HG GLN 86 -15.214 -5.681 -6.256 723 HE21 GLN 86 1HE2 GLN 86 -13.911 -7.334 -5.983 724 HE22 GLN 86 2HE2 GLN 86 -13.636 -8.616 -7.108 725 H GLN 87 H GLN 87 -15.515 -3.048 -7.686 726 HA GLN 87 HA GLN 87 -15.329 -2.361 -4.998 727 HB2 GLN 87 2HB GLN 87 -13.907 -1.797 -7.337 728 HB3 GLN 87 3HB GLN 87 -14.383 -0.224 -6.711 729 HG2 GLN 87 2HG GLN 87 -13.457 -1.706 -4.512 730 HG3 GLN 87 3HG GLN 87 -12.308 -1.974 -5.823 731 HE21 GLN 87 1HE2 GLN 87 -12.898 -0.102 -3.248 732 HE22 GLN 87 2HE2 GLN 87 -12.097 1.351 -3.728 733 H LEU 88 H LEU 88 -17.269 -0.990 -7.547 734 HA LEU 88 HA LEU 88 -17.881 1.504 -6.513 735 HB2 LEU 88 2HB LEU 88 -19.632 1.570 -8.001 736 HB3 LEU 88 3HB LEU 88 -18.587 0.348 -8.723 737 HG LEU 88 HG LEU 88 -20.166 -1.269 -7.318 738 HD11 LEU 88 1HD1 LEU 88 -22.030 -0.367 -6.532 739 HD12 LEU 88 2HD1 LEU 88 -22.413 0.311 -8.115 740 HD13 LEU 88 3HD1 LEU 88 -21.419 1.226 -6.981 741 HD21 LEU 88 3HD2 LEU 88 -19.753 -0.784 -9.925 742 HD22 LEU 88 1HD2 LEU 88 -21.440 -0.286 -9.793 743 HD23 LEU 88 2HD2 LEU 88 -20.965 -1.920 -9.329 744 H GLU 89 H GLU 89 -18.977 -1.647 -5.510 745 HA GLU 89 HA GLU 89 -21.207 -0.799 -3.977 746 HB2 GLU 89 2HB GLU 89 -20.138 -3.233 -4.725 747 HB3 GLU 89 3HB GLU 89 -19.852 -3.195 -2.991 748 HG2 GLU 89 2HG GLU 89 -22.155 -2.974 -2.518 749 HG3 GLU 89 3HG GLU 89 -22.540 -2.630 -4.203 750 H SER 90 H SER 90 -17.798 -1.326 -3.219 751 HA SER 90 HA SER 90 -18.059 -0.906 -0.421 752 HB2 SER 90 2HB SER 90 -16.134 -2.060 -1.654 753 HB3 SER 90 3HB SER 90 -15.541 -0.439 -2.017 754 HG SER 90 HG SER 90 -16.191 -1.066 0.631 755 H ILE 91 H ILE 91 -17.152 1.190 -3.128 756 HA ILE 91 HA ILE 91 -16.573 3.476 -1.566 757 HB ILE 91 HB ILE 91 -17.527 3.464 -4.429 758 HG12 ILE 91 2HG1 ILE 91 -15.667 1.896 -4.178 759 HG13 ILE 91 3HG1 ILE 91 -15.147 3.332 -5.052 760 HG21 ILE 91 1HG2 ILE 91 -15.671 5.432 -4.206 761 HG22 ILE 91 2HG2 ILE 91 -17.410 5.675 -4.053 762 HG23 ILE 91 3HG2 ILE 91 -16.418 5.480 -2.609 763 HD11 ILE 91 3HD1 ILE 91 -13.506 3.608 -3.605 764 HD12 ILE 91 1HD1 ILE 91 -14.677 3.778 -2.298 765 HD13 ILE 91 2HD1 ILE 91 -14.044 2.185 -2.714 766 H TYR 92 H TYR 92 -19.508 2.365 -3.202 767 HA TYR 92 HA TYR 92 -21.056 4.669 -2.645 768 HB2 TYR 92 2HB TYR 92 -21.586 2.953 -4.394 769 HB3 TYR 92 3HB TYR 92 -22.063 1.855 -3.104 770 HD1 TYR 92 HD2 TYR 92 -22.833 5.197 -4.550 771 HD2 TYR 92 HD1 TYR 92 -24.249 1.885 -2.285 772 HE1 TYR 92 HE2 TYR 92 -25.101 6.149 -4.586 773 HE2 TYR 92 HE1 TYR 92 -26.521 2.827 -2.315 774 HH TYR 92 HH TYR 92 -27.166 6.024 -3.608 775 H PHE 93 H PHE 93 -20.554 1.623 -0.940 776 HA PHE 93 HA PHE 93 -22.538 2.004 1.034 777 HB2 PHE 93 2HB PHE 93 -21.265 -0.147 0.422 778 HB3 PHE 93 3HB PHE 93 -19.993 0.459 1.478 779 HD1 PHE 93 HD1 PHE 93 -20.832 1.216 3.866 780 HD2 PHE 93 HD2 PHE 93 -22.860 -1.527 1.321 781 HE1 PHE 93 HE1 PHE 93 -22.001 0.276 5.817 782 HE2 PHE 93 HE2 PHE 93 -24.034 -2.471 3.267 783 HZ PHE 93 HZ PHE 93 -23.606 -1.569 5.518 784 H ARG 94 H ARG 94 -19.027 2.589 1.087 785 HA ARG 94 HA ARG 94 -18.943 3.651 3.694 786 HB2 ARG 94 2HB ARG 94 -17.126 3.586 1.352 787 HB3 ARG 94 3HB ARG 94 -16.817 4.838 2.547 788 HG2 ARG 94 2HG ARG 94 -15.496 2.827 2.965 789 HG3 ARG 94 3HG ARG 94 -16.615 3.162 4.288 790 HD2 ARG 94 2HD ARG 94 -17.725 1.437 2.205 791 HD3 ARG 94 3HD ARG 94 -16.320 0.752 3.022 792 HE ARG 94 HE ARG 94 -18.237 1.815 4.855 793 HH11 ARG 94 1HH1 ARG 94 -17.459 -0.940 2.875 794 HH12 ARG 94 2HH1 ARG 94 -18.347 -2.060 3.855 795 HH21 ARG 94 1HH2 ARG 94 -19.408 0.351 6.154 796 HH22 ARG 94 2HH2 ARG 94 -19.456 -1.324 5.720 797 H ILE 95 H ILE 95 -19.551 5.107 0.558 798 HA ILE 95 HA ILE 95 -19.436 7.808 1.524 799 HB ILE 95 HB ILE 95 -20.426 6.608 -1.055 800 HG12 ILE 95 2HG1 ILE 95 -18.133 8.508 -0.563 801 HG13 ILE 95 3HG1 ILE 95 -17.946 6.759 -0.522 802 HG21 ILE 95 1HG2 ILE 95 -20.701 9.376 -0.003 803 HG22 ILE 95 2HG2 ILE 95 -20.345 9.157 -1.716 804 HG23 ILE 95 3HG2 ILE 95 -21.797 8.438 -1.018 805 HD11 ILE 95 3HD1 ILE 95 -18.848 8.398 -2.878 806 HD12 ILE 95 1HD1 ILE 95 -17.270 7.639 -2.666 807 HD13 ILE 95 2HD1 ILE 95 -18.713 6.640 -2.846 808 H LEU 96 H LEU 96 -21.858 5.343 1.284 809 HA LEU 96 HA LEU 96 -24.037 7.228 1.712 810 HB2 LEU 96 2HB LEU 96 -24.269 5.291 0.168 811 HB3 LEU 96 3HB LEU 96 -24.120 4.219 1.558 812 HG LEU 96 HG LEU 96 -26.243 6.207 1.845 813 HD11 LEU 96 1HD1 LEU 96 -26.615 4.076 -0.245 814 HD12 LEU 96 2HD1 LEU 96 -26.260 5.760 -0.628 815 HD13 LEU 96 3HD1 LEU 96 -27.745 5.344 0.228 816 HD21 LEU 96 3HD2 LEU 96 -26.852 3.340 1.859 817 HD22 LEU 96 1HD2 LEU 96 -27.166 4.576 3.077 818 HD23 LEU 96 2HD2 LEU 96 -25.575 3.823 2.976 819 H LEU 97 H LEU 97 -21.819 5.565 3.573 820 HA LEU 97 HA LEU 97 -23.100 4.510 5.727 821 HB2 LEU 97 2HB LEU 97 -20.590 6.102 5.470 822 HB3 LEU 97 3HB LEU 97 -21.164 5.648 7.074 823 HG LEU 97 HG LEU 97 -20.547 3.694 4.859 824 HD11 LEU 97 1HD1 LEU 97 -18.895 4.731 7.137 825 HD12 LEU 97 2HD1 LEU 97 -18.470 4.598 5.431 826 HD13 LEU 97 3HD1 LEU 97 -18.602 3.145 6.422 827 HD21 LEU 97 3HD2 LEU 97 -22.197 2.883 6.458 828 HD22 LEU 97 1HD2 LEU 97 -21.122 3.296 7.794 829 HD23 LEU 97 2HD2 LEU 97 -20.664 2.032 6.652 830 HA PRO 98 HA PRO 98 -25.374 7.608 7.845 831 HB2 PRO 98 2HB PRO 98 -24.933 6.966 10.446 832 HB3 PRO 98 3HB PRO 98 -25.953 5.996 9.377 833 HG2 PRO 98 2HG PRO 98 -23.105 5.559 10.189 834 HG3 PRO 98 3HG PRO 98 -24.423 4.380 10.055 835 HD2 PRO 98 2HD PRO 98 -22.529 4.672 8.142 836 HD3 PRO 98 3HD PRO 98 -24.200 4.204 7.767 837 H TYR 99 H TYR 99 -22.087 7.120 9.099 838 HA TYR 99 HA TYR 99 -21.918 9.633 10.407 839 HB2 TYR 99 2HB TYR 99 -20.457 7.457 10.645 840 HB3 TYR 99 3HB TYR 99 -19.483 8.219 9.392 841 HD1 TYR 99 HD2 TYR 99 -19.118 10.883 9.947 842 HD2 TYR 99 HD1 TYR 99 -19.685 7.767 12.787 843 HE1 TYR 99 HE2 TYR 99 -17.976 12.238 11.653 844 HE2 TYR 99 HE1 TYR 99 -18.546 9.113 14.501 845 HH TYR 99 HH TYR 99 -18.009 11.417 14.977 846 H GLU 100 H GLU 100 -20.842 8.470 7.236 847 HA GLU 100 HA GLU 100 -19.565 10.857 6.437 848 HB2 GLU 100 2HB GLU 100 -19.042 8.863 5.250 849 HB3 GLU 100 3HB GLU 100 -20.733 8.555 4.881 850 HG2 GLU 100 2HG GLU 100 -19.205 9.458 3.028 851 HG3 GLU 100 3HG GLU 100 -20.805 10.169 3.229 852 H ARG 101 H ARG 101 -22.826 9.600 5.782 853 HA ARG 101 HA ARG 101 -23.693 11.787 4.233 854 HB2 ARG 101 2HB ARG 101 -25.896 10.897 4.466 855 HB3 ARG 101 3HB ARG 101 -24.792 9.531 4.365 856 HG2 ARG 101 2HG ARG 101 -24.910 9.221 6.765 857 HG3 ARG 101 3HG ARG 101 -25.952 10.638 6.914 858 HD2 ARG 101 2HD ARG 101 -26.642 8.201 5.282 859 HD3 ARG 101 3HD ARG 101 -27.154 8.444 6.952 860 HE ARG 101 HE ARG 101 -27.976 10.694 5.627 861 HH11 ARG 101 1HH1 ARG 101 -28.499 7.270 5.276 862 HH12 ARG 101 2HH1 ARG 101 -30.084 7.448 4.599 863 HH21 ARG 101 1HH2 ARG 101 -30.062 10.942 4.737 864 HH22 ARG 101 2HH2 ARG 101 -30.971 9.538 4.293 865 H HIS 102 H HIS 102 -23.670 11.193 7.692 866 HA HIS 102 HA HIS 102 -25.352 13.358 8.419 867 HB2 HIS 102 2HB HIS 102 -23.447 11.564 9.858 868 HB3 HIS 102 3HB HIS 102 -23.975 13.040 10.662 869 HD1 HIS 102 HD1 HIS 102 -24.920 10.877 12.219 870 HD2 HIS 102 HD2 HIS 102 -26.944 11.895 8.737 871 HE1 HIS 102 HE1 HIS 102 -27.222 9.895 12.468 872 H MET 103 H MET 103 -21.842 13.005 8.122 873 HA MET 103 HA MET 103 -21.100 15.499 9.139 874 HB2 MET 103 2HB MET 103 -19.823 13.620 7.174 875 HB3 MET 103 3HB MET 103 -19.081 15.169 7.548 876 HG2 MET 103 2HG MET 103 -19.772 13.871 9.986 877 HG3 MET 103 3HG MET 103 -18.884 12.742 8.964 878 HE1 MET 103 3HE MET 103 -16.819 12.535 8.665 879 HE2 MET 103 1HE MET 103 -15.493 13.691 8.797 880 HE3 MET 103 2HE MET 103 -16.066 12.839 10.231 881 H ILE 104 H ILE 104 -21.912 14.519 5.829 882 HA ILE 104 HA ILE 104 -21.529 17.177 4.788 883 HB ILE 104 HB ILE 104 -22.421 16.267 2.683 884 HG12 ILE 104 2HG1 ILE 104 -22.751 13.702 4.254 885 HG13 ILE 104 3HG1 ILE 104 -24.066 14.715 3.669 886 HG21 ILE 104 1HG2 ILE 104 -20.336 14.564 4.039 887 HG22 ILE 104 2HG2 ILE 104 -20.646 14.582 2.304 888 HG23 ILE 104 3HG2 ILE 104 -20.062 16.038 3.111 889 HD11 ILE 104 3HD1 ILE 104 -23.842 12.874 2.189 890 HD12 ILE 104 1HD1 ILE 104 -23.240 14.304 1.352 891 HD13 ILE 104 2HD1 ILE 104 -22.105 13.136 2.031 892 H SER 105 H SER 105 -24.120 15.372 6.174 893 HA SER 105 HA SER 105 -26.347 16.592 5.033 894 HB2 SER 105 2HB SER 105 -25.780 15.106 7.517 895 HB3 SER 105 3HB SER 105 -27.179 16.176 7.596 896 HG SER 105 HG SER 105 -27.929 15.130 5.662 897 H GLN 106 H GLN 106 -24.251 17.666 7.650 898 HA GLN 106 HA GLN 106 -25.778 19.792 8.610 899 HB2 GLN 106 2HB GLN 106 -22.778 19.475 8.448 900 HB3 GLN 106 3HB GLN 106 -23.584 20.752 9.349 901 HG2 GLN 106 2HG GLN 106 -24.745 18.322 10.169 902 HG3 GLN 106 3HG GLN 106 -22.999 18.078 10.144 903 HE21 GLN 106 1HE2 GLN 106 -25.478 20.336 11.270 904 HE22 GLN 106 2HE2 GLN 106 -24.650 20.799 12.714 905 H GLU 107 H GLU 107 -23.605 19.592 5.849 906 HA GLU 107 HA GLU 107 -23.634 22.386 5.275 907 HB2 GLU 107 2HB GLU 107 -22.051 20.366 4.475 908 HB3 GLU 107 3HB GLU 107 -23.126 20.448 3.086 909 HG2 GLU 107 2HG GLU 107 -22.510 23.072 3.456 910 HG3 GLU 107 3HG GLU 107 -21.015 22.277 3.946 911 H GLY 108 H GLY 108 -25.774 19.765 4.628 912 HA2 GLY 108 2HA GLY 108 -27.686 21.558 3.432 913 HA3 GLY 108 3HA GLY 108 -27.051 20.367 2.306 914 H ILE 109 H ILE 109 -28.787 20.775 5.350 915 HA ILE 109 HA ILE 109 -29.487 18.022 5.611 916 HB ILE 109 HB ILE 109 -31.040 18.754 7.345 917 HG12 ILE 109 2HG1 ILE 109 -30.601 21.462 7.675 918 HG13 ILE 109 3HG1 ILE 109 -30.771 21.302 5.931 919 HG21 ILE 109 1HG2 ILE 109 -28.604 18.548 7.804 920 HG22 ILE 109 2HG2 ILE 109 -28.454 20.286 7.549 921 HG23 ILE 109 3HG2 ILE 109 -29.439 19.672 8.877 922 HD11 ILE 109 3HD1 ILE 109 -32.881 19.897 6.584 923 HD12 ILE 109 1HD1 ILE 109 -32.756 20.813 8.086 924 HD13 ILE 109 2HD1 ILE 109 -32.937 21.659 6.549 925 H LYS 110 H LYS 110 -30.776 20.692 3.847 926 HA LYS 110 HA LYS 110 -33.450 19.954 3.578 927 HB2 LYS 110 2HB LYS 110 -31.644 21.803 2.339 928 HB3 LYS 110 3HB LYS 110 -32.592 21.006 1.090 929 HG2 LYS 110 2HG LYS 110 -33.879 22.848 1.603 930 HG3 LYS 110 3HG LYS 110 -34.616 21.585 2.592 931 HD2 LYS 110 2HD LYS 110 -34.426 23.286 4.127 932 HD3 LYS 110 3HD LYS 110 -32.906 22.428 4.393 933 HE2 LYS 110 2HE LYS 110 -31.653 24.099 3.509 934 HE3 LYS 110 3HE LYS 110 -32.886 24.548 2.332 935 HZ1 LYS 110 3HZ LYS 110 -34.060 25.767 3.947 936 HZ2 LYS 110 1HZ LYS 110 -32.438 26.203 4.150 937 HZ3 LYS 110 2HZ LYS 110 -33.162 25.118 5.225 938 H GLU 111 H GLU 111 -30.588 18.591 2.185 939 HA GLU 111 HA GLU 111 -31.903 17.210 0.048 940 HB2 GLU 111 2HB GLU 111 -29.204 17.584 0.978 941 HB3 GLU 111 3HB GLU 111 -29.498 15.879 0.666 942 HG2 GLU 111 2HG GLU 111 -30.483 17.679 -1.421 943 HG3 GLU 111 3HG GLU 111 -28.735 17.698 -1.196 944 H THR 112 H THR 112 -31.301 16.592 3.399 945 HA THR 112 HA THR 112 -31.513 13.780 3.396 946 HB THR 112 HB THR 112 -32.267 15.700 5.609 947 HG1 THR 112 HG1 THR 112 -29.813 14.315 5.176 948 HG21 THR 112 3HG2 THR 112 -31.309 13.407 6.766 949 HG22 THR 112 1HG2 THR 112 -32.230 12.781 5.399 950 HG23 THR 112 2HG2 THR 112 -33.013 13.822 6.589 951 H GLN 113 H GLN 113 -33.948 16.316 3.937 952 HA GLN 113 HA GLN 113 -36.120 14.585 4.374 953 HB2 GLN 113 2HB GLN 113 -35.859 17.181 4.706 954 HB3 GLN 113 3HB GLN 113 -36.509 17.250 3.073 955 HG2 GLN 113 2HG GLN 113 -38.444 17.387 4.239 956 HG3 GLN 113 3HG GLN 113 -38.320 15.633 4.112 957 HE21 GLN 113 1HE2 GLN 113 -39.361 15.073 5.946 958 HE22 GLN 113 2HE2 GLN 113 -38.817 15.478 7.535 959 H ALA 114 H ALA 114 -34.479 15.525 1.499 960 HA ALA 114 HA ALA 114 -36.561 15.088 -0.370 961 HB1 ALA 114 1HB ALA 114 -34.470 16.343 -0.845 962 HB2 ALA 114 2HB ALA 114 -33.597 14.810 -0.840 963 HB3 ALA 114 3HB ALA 114 -34.845 15.109 -2.049 964 H LYS 115 H LYS 115 -34.459 12.966 1.376 965 HA LYS 115 HA LYS 115 -35.553 10.682 -0.132 966 HB2 LYS 115 2HB LYS 115 -33.209 10.826 -0.638 967 HB3 LYS 115 3HB LYS 115 -32.800 11.024 1.061 968 HG2 LYS 115 2HG LYS 115 -33.040 8.806 1.524 969 HG3 LYS 115 3HG LYS 115 -34.237 8.556 0.251 970 HD2 LYS 115 2HD LYS 115 -32.111 9.191 -1.256 971 HD3 LYS 115 3HD LYS 115 -31.281 8.480 0.130 972 HE2 LYS 115 2HE LYS 115 -33.439 7.182 -1.531 973 HE3 LYS 115 3HE LYS 115 -31.721 6.789 -1.556 974 HZ1 LYS 115 3HZ LYS 115 -33.703 6.258 0.563 975 HZ2 LYS 115 1HZ LYS 115 -32.052 6.323 0.926 976 HZ3 LYS 115 2HZ LYS 115 -32.630 5.183 -0.182 977 H ARG 116 H ARG 116 -36.620 9.200 1.022 978 HA ARG 116 HA ARG 116 -37.671 8.224 2.793 979 HB2 ARG 116 2HB ARG 116 -35.301 7.378 3.020 980 HB3 ARG 116 3HB ARG 116 -35.048 8.630 4.229 981 HG2 ARG 116 2HG ARG 116 -36.758 7.660 5.640 982 HG3 ARG 116 3HG ARG 116 -37.112 6.446 4.409 983 HD2 ARG 116 2HD ARG 116 -35.642 5.158 5.493 984 HD3 ARG 116 3HD ARG 116 -34.405 6.177 4.758 985 HE ARG 116 HE ARG 116 -35.316 7.351 7.156 986 HH11 ARG 116 1HH1 ARG 116 -33.402 4.687 5.990 987 HH12 ARG 116 2HH1 ARG 116 -32.405 4.614 7.405 988 HH21 ARG 116 1HH2 ARG 116 -34.011 7.266 9.024 989 HH22 ARG 116 2HH2 ARG 116 -32.753 6.081 9.131 Start of MODEL 13 1 H1 GLN 1 H GLN 1 2.687 4.820 -0.658 2 HA GLN 1 HA GLN 1 2.683 2.260 -0.980 3 HB2 GLN 1 2HB GLN 1 1.324 2.663 1.513 4 HB3 GLN 1 3HB GLN 1 0.226 1.893 0.376 5 HG2 GLN 1 2HG GLN 1 1.832 0.115 -0.007 6 HG3 GLN 1 3HG GLN 1 2.979 0.900 1.078 7 HE21 GLN 1 1HE2 GLN 1 0.829 -1.529 0.873 8 HE22 GLN 1 2HE2 GLN 1 0.391 -1.693 2.536 9 H SER 2 H SER 2 2.149 2.701 -3.052 10 HA SER 2 HA SER 2 0.860 3.052 -4.893 11 HB2 SER 2 2HB SER 2 -0.603 1.394 -3.496 12 HB3 SER 2 3HB SER 2 -1.628 2.805 -3.232 13 HG SER 2 HG SER 2 -1.982 1.346 -5.170 14 H LEU 3 H LEU 3 1.679 5.283 -4.695 15 HA LEU 3 HA LEU 3 0.245 7.359 -3.481 16 HB2 LEU 3 2HB LEU 3 1.494 8.852 -4.953 17 HB3 LEU 3 3HB LEU 3 2.533 7.627 -4.229 18 HG LEU 3 HG LEU 3 1.528 6.859 -6.856 19 HD11 LEU 3 1HD1 LEU 3 1.695 8.921 -7.757 20 HD12 LEU 3 2HD1 LEU 3 3.414 8.528 -7.775 21 HD13 LEU 3 3HD1 LEU 3 2.750 9.518 -6.475 22 HD21 LEU 3 3HD2 LEU 3 3.278 5.626 -5.792 23 HD22 LEU 3 1HD2 LEU 3 4.243 7.085 -5.569 24 HD23 LEU 3 2HD2 LEU 3 3.967 6.449 -7.191 25 H ASN 4 H ASN 4 -0.485 9.277 -5.098 26 HA ASN 4 HA ASN 4 -2.966 8.415 -6.158 27 HB2 ASN 4 2HB ASN 4 -1.552 10.957 -5.795 28 HB3 ASN 4 3HB ASN 4 -2.574 10.922 -7.228 29 HD21 ASN 4 1HD2 ASN 4 -2.972 9.384 -4.068 30 HD22 ASN 4 2HD2 ASN 4 -4.476 10.146 -3.693 31 HA PRO 5 HA PRO 5 -2.083 7.446 -10.345 32 HB2 PRO 5 2HB PRO 5 -4.225 8.494 -11.642 33 HB3 PRO 5 3HB PRO 5 -4.329 7.053 -10.624 34 HG2 PRO 5 2HG PRO 5 -5.040 9.887 -9.973 35 HG3 PRO 5 3HG PRO 5 -5.920 8.396 -9.589 36 HD2 PRO 5 2HD PRO 5 -4.369 9.679 -7.779 37 HD3 PRO 5 3HD PRO 5 -4.570 7.916 -7.783 38 H ALA 6 H ALA 6 -2.804 10.802 -9.600 39 HA ALA 6 HA ALA 6 -2.102 12.774 -10.497 40 HB1 ALA 6 1HB ALA 6 0.190 12.799 -11.430 41 HB2 ALA 6 2HB ALA 6 0.081 11.965 -9.879 42 HB3 ALA 6 3HB ALA 6 0.200 11.036 -11.373 43 H LEU 7 H LEU 7 -3.763 10.907 -12.136 44 HA LEU 7 HA LEU 7 -2.995 11.777 -14.835 45 HB2 LEU 7 2HB LEU 7 -4.435 9.442 -13.745 46 HB3 LEU 7 3HB LEU 7 -5.040 10.085 -15.270 47 HG LEU 7 HG LEU 7 -2.187 9.223 -14.813 48 HD11 LEU 7 1HD1 LEU 7 -3.032 7.151 -14.824 49 HD12 LEU 7 2HD1 LEU 7 -3.270 7.426 -16.549 50 HD13 LEU 7 3HD1 LEU 7 -4.602 7.686 -15.424 51 HD21 LEU 7 3HD2 LEU 7 -1.813 9.628 -17.040 52 HD22 LEU 7 1HD2 LEU 7 -2.949 10.923 -16.660 53 HD23 LEU 7 2HD2 LEU 7 -3.516 9.462 -17.470 54 H GLN 8 H GLN 8 -5.766 11.596 -12.627 55 HA GLN 8 HA GLN 8 -6.926 13.902 -14.026 56 HB2 GLN 8 2HB GLN 8 -8.570 11.569 -13.042 57 HB3 GLN 8 3HB GLN 8 -9.133 12.957 -13.964 58 HG2 GLN 8 2HG GLN 8 -8.845 11.777 -15.808 59 HG3 GLN 8 3HG GLN 8 -7.108 11.810 -15.507 60 HE21 GLN 8 1HE2 GLN 8 -6.801 9.786 -16.416 61 HE22 GLN 8 2HE2 GLN 8 -7.301 8.333 -15.629 62 H GLU 9 H GLU 9 -5.513 14.443 -11.897 63 HA GLU 9 HA GLU 9 -7.467 14.728 -9.709 64 HB2 GLU 9 2HB GLU 9 -5.487 14.839 -8.178 65 HB3 GLU 9 3HB GLU 9 -5.728 13.275 -8.943 66 HG2 GLU 9 2HG GLU 9 -3.923 13.592 -10.411 67 HG3 GLU 9 3HG GLU 9 -3.833 15.316 -10.054 68 H LYS 10 H LYS 10 -7.868 16.638 -11.318 69 HA LYS 10 HA LYS 10 -6.027 18.836 -11.125 70 HB2 LYS 10 2HB LYS 10 -8.728 18.415 -12.339 71 HB3 LYS 10 3HB LYS 10 -8.149 20.057 -12.095 72 HG2 LYS 10 2HG LYS 10 -7.465 19.633 -14.244 73 HG3 LYS 10 3HG LYS 10 -6.022 19.204 -13.324 74 HD2 LYS 10 2HD LYS 10 -6.418 16.905 -13.561 75 HD3 LYS 10 3HD LYS 10 -8.101 17.156 -14.030 76 HE2 LYS 10 2HE LYS 10 -6.326 18.520 -15.841 77 HE3 LYS 10 3HE LYS 10 -5.890 16.816 -15.715 78 HZ1 LYS 10 3HZ LYS 10 -8.704 17.591 -16.109 79 HZ2 LYS 10 1HZ LYS 10 -7.926 16.146 -16.520 80 HZ3 LYS 10 2HZ LYS 10 -7.649 17.544 -17.431 81 H ILE 11 H ILE 11 -6.216 18.389 -8.623 82 HA ILE 11 HA ILE 11 -8.413 19.301 -7.162 83 HB ILE 11 HB ILE 11 -6.557 18.062 -6.142 84 HG12 ILE 11 2HG1 ILE 11 -6.207 20.191 -4.347 85 HG13 ILE 11 3HG1 ILE 11 -7.786 20.457 -5.080 86 HG21 ILE 11 1HG2 ILE 11 -4.755 19.221 -7.406 87 HG22 ILE 11 2HG2 ILE 11 -4.975 20.617 -6.353 88 HG23 ILE 11 3HG2 ILE 11 -4.435 19.080 -5.678 89 HD11 ILE 11 3HD1 ILE 11 -8.567 18.341 -4.353 90 HD12 ILE 11 1HD1 ILE 11 -6.950 17.845 -3.856 91 HD13 ILE 11 2HD1 ILE 11 -7.793 19.118 -2.973 92 H SER 12 H SER 12 -9.214 21.255 -6.726 93 HA SER 12 HA SER 12 -9.503 23.511 -6.700 94 HB2 SER 12 2HB SER 12 -6.567 24.031 -6.746 95 HB3 SER 12 3HB SER 12 -7.824 24.769 -5.754 96 HG SER 12 HG SER 12 -6.179 22.831 -5.077 97 H THR 13 H THR 13 -10.347 24.014 -8.645 98 HA THR 13 HA THR 13 -8.471 24.928 -10.710 99 HB THR 13 HB THR 13 -10.983 23.461 -11.475 100 HG1 THR 13 HG1 THR 13 -9.966 21.783 -10.606 101 HG21 THR 13 3HG2 THR 13 -9.359 24.993 -12.966 102 HG22 THR 13 1HG2 THR 13 -10.212 23.590 -13.608 103 HG23 THR 13 2HG2 THR 13 -8.523 23.448 -13.120 104 H GLU 14 H GLU 14 -9.565 26.696 -9.024 105 HA GLU 14 HA GLU 14 -10.857 28.528 -10.659 106 HB2 GLU 14 2HB GLU 14 -12.648 26.556 -9.772 107 HB3 GLU 14 3HB GLU 14 -12.982 27.972 -8.784 108 HG2 GLU 14 2HG GLU 14 -12.864 28.001 -11.789 109 HG3 GLU 14 3HG GLU 14 -14.346 27.810 -10.853 110 H LEU 15 H LEU 15 -10.203 27.329 -7.460 111 HA LEU 15 HA LEU 15 -9.260 28.456 -5.687 112 HB2 LEU 15 2HB LEU 15 -8.841 30.249 -7.636 113 HB3 LEU 15 3HB LEU 15 -10.013 31.143 -6.669 114 HG LEU 15 HG LEU 15 -7.704 31.743 -6.114 115 HD11 LEU 15 1HD1 LEU 15 -9.685 31.524 -4.417 116 HD12 LEU 15 2HD1 LEU 15 -8.052 31.872 -3.851 117 HD13 LEU 15 3HD1 LEU 15 -8.691 30.232 -3.744 118 HD21 LEU 15 3HD2 LEU 15 -6.107 30.255 -5.364 119 HD22 LEU 15 1HD2 LEU 15 -6.925 29.310 -6.609 120 HD23 LEU 15 2HD2 LEU 15 -7.300 29.039 -4.907 121 H ASN 16 H ASN 16 -12.357 29.185 -7.032 122 HA ASN 16 HA ASN 16 -13.373 30.151 -4.465 123 HB2 ASN 16 2HB ASN 16 -14.014 30.704 -7.174 124 HB3 ASN 16 3HB ASN 16 -15.425 29.934 -6.454 125 HD21 ASN 16 1HD2 ASN 16 -12.964 32.259 -5.379 126 HD22 ASN 16 2HD2 ASN 16 -14.088 33.419 -4.764 127 H ASN 17 H ASN 17 -13.967 27.589 -6.850 128 HA ASN 17 HA ASN 17 -15.917 26.276 -5.202 129 HB2 ASN 17 2HB ASN 17 -15.932 24.555 -6.922 130 HB3 ASN 17 3HB ASN 17 -15.973 26.147 -7.675 131 HD21 ASN 17 1HD2 ASN 17 -15.210 23.836 -9.017 132 HD22 ASN 17 2HD2 ASN 17 -13.536 23.961 -9.429 133 H LYS 18 H LYS 18 -12.504 26.263 -5.442 134 HA LYS 18 HA LYS 18 -11.785 23.701 -4.706 135 HB2 LYS 18 2HB LYS 18 -10.081 25.272 -5.268 136 HB3 LYS 18 3HB LYS 18 -10.570 26.365 -3.980 137 HG2 LYS 18 2HG LYS 18 -9.885 23.783 -2.911 138 HG3 LYS 18 3HG LYS 18 -8.568 24.428 -3.894 139 HD2 LYS 18 2HD LYS 18 -8.533 26.460 -2.600 140 HD3 LYS 18 3HD LYS 18 -9.964 25.956 -1.698 141 HE2 LYS 18 2HE LYS 18 -8.795 24.313 -0.529 142 HE3 LYS 18 3HE LYS 18 -7.482 24.277 -1.704 143 HZ1 LYS 18 3HZ LYS 18 -7.685 25.801 0.650 144 HZ2 LYS 18 1HZ LYS 18 -7.603 26.858 -0.669 145 HZ3 LYS 18 2HZ LYS 18 -6.390 25.703 -0.435 146 H GLN 19 H GLN 19 -13.017 26.319 -2.703 147 HA GLN 19 HA GLN 19 -12.514 25.139 -0.194 148 HB2 GLN 19 2HB GLN 19 -13.351 27.561 -0.922 149 HB3 GLN 19 3HB GLN 19 -14.920 26.855 -0.559 150 HG2 GLN 19 2HG GLN 19 -14.364 26.498 1.690 151 HG3 GLN 19 3HG GLN 19 -12.644 26.743 1.388 152 HE21 GLN 19 1HE2 GLN 19 -12.942 28.214 3.247 153 HE22 GLN 19 2HE2 GLN 19 -13.422 29.842 2.924 154 H TYR 20 H TYR 20 -15.366 25.064 -2.305 155 HA TYR 20 HA TYR 20 -16.932 23.465 -0.554 156 HB2 TYR 20 2HB TYR 20 -17.142 24.290 -3.425 157 HB3 TYR 20 3HB TYR 20 -18.199 23.024 -2.810 158 HD1 TYR 20 HD2 TYR 20 -19.274 23.707 -0.404 159 HD2 TYR 20 HD1 TYR 20 -18.032 26.410 -3.446 160 HE1 TYR 20 HE2 TYR 20 -20.802 25.412 0.495 161 HE2 TYR 20 HE1 TYR 20 -19.555 28.123 -2.554 162 HH TYR 20 HH TYR 20 -20.936 28.672 -0.888 163 H GLU 21 H GLU 21 -14.999 22.730 -3.441 164 HA GLU 21 HA GLU 21 -15.563 19.978 -3.531 165 HB2 GLU 21 2HB GLU 21 -13.056 21.389 -4.460 166 HB3 GLU 21 3HB GLU 21 -13.599 19.797 -4.970 167 HG2 GLU 21 2HG GLU 21 -15.308 20.644 -6.263 168 HG3 GLU 21 3HG GLU 21 -15.365 22.166 -5.376 169 H LEU 22 H LEU 22 -12.897 21.764 -2.014 170 HA LEU 22 HA LEU 22 -11.597 19.452 -0.993 171 HB2 LEU 22 2HB LEU 22 -10.522 21.669 -1.375 172 HB3 LEU 22 3HB LEU 22 -11.409 22.284 0.018 173 HG LEU 22 HG LEU 22 -9.772 19.892 0.531 174 HD11 LEU 22 1HD1 LEU 22 -7.884 21.865 0.780 175 HD12 LEU 22 2HD1 LEU 22 -8.644 22.245 -0.765 176 HD13 LEU 22 3HD1 LEU 22 -7.942 20.650 -0.497 177 HD21 LEU 22 3HD2 LEU 22 -10.895 20.976 2.342 178 HD22 LEU 22 1HD2 LEU 22 -10.219 22.542 1.893 179 HD23 LEU 22 2HD2 LEU 22 -9.165 21.273 2.519 180 H PHE 23 H PHE 23 -14.093 21.586 0.214 181 HA PHE 23 HA PHE 23 -14.036 20.917 2.921 182 HB2 PHE 23 2HB PHE 23 -15.386 22.759 2.174 183 HB3 PHE 23 3HB PHE 23 -16.345 21.705 1.139 184 HD1 PHE 23 HD1 PHE 23 -15.638 22.660 4.620 185 HD2 PHE 23 HD2 PHE 23 -18.158 20.437 2.008 186 HE1 PHE 23 HE1 PHE 23 -17.247 22.336 6.453 187 HE2 PHE 23 HE2 PHE 23 -19.771 20.111 3.836 188 HZ PHE 23 HZ PHE 23 -19.318 21.061 6.063 189 H MET 24 H MET 24 -15.927 19.451 0.286 190 HA MET 24 HA MET 24 -16.947 17.373 1.988 191 HB2 MET 24 2HB MET 24 -17.525 18.403 -0.605 192 HB3 MET 24 3HB MET 24 -17.214 16.680 -0.764 193 HG2 MET 24 2HG MET 24 -19.091 17.747 1.312 194 HG3 MET 24 3HG MET 24 -19.614 17.443 -0.343 195 HE1 MET 24 3HE MET 24 -20.706 14.030 -0.319 196 HE2 MET 24 1HE MET 24 -21.510 15.322 0.574 197 HE3 MET 24 2HE MET 24 -20.708 15.675 -0.956 198 H LYS 25 H LYS 25 -14.314 17.735 -0.291 199 HA LYS 25 HA LYS 25 -13.677 15.017 -0.633 200 HB2 LYS 25 2HB LYS 25 -12.781 16.781 -2.078 201 HB3 LYS 25 3HB LYS 25 -11.865 17.437 -0.727 202 HG2 LYS 25 2HG LYS 25 -11.146 14.735 -0.900 203 HG3 LYS 25 3HG LYS 25 -11.165 15.346 -2.556 204 HD2 LYS 25 2HD LYS 25 -8.970 15.690 -1.669 205 HD3 LYS 25 3HD LYS 25 -9.761 17.264 -1.781 206 HE2 LYS 25 2HE LYS 25 -9.924 17.495 0.488 207 HE3 LYS 25 3HE LYS 25 -10.003 15.757 0.769 208 HZ1 LYS 25 3HZ LYS 25 -7.646 17.467 0.377 209 HZ2 LYS 25 1HZ LYS 25 -7.562 15.837 -0.068 210 HZ3 LYS 25 2HZ LYS 25 -7.916 16.260 1.531 211 H SER 26 H SER 26 -12.477 17.425 1.684 212 HA SER 26 HA SER 26 -10.676 15.666 2.988 213 HB2 SER 26 2HB SER 26 -10.906 18.307 3.034 214 HB3 SER 26 3HB SER 26 -11.891 17.968 4.457 215 HG SER 26 HG SER 26 -10.155 17.026 5.435 216 H LEU 27 H LEU 27 -14.055 16.487 3.483 217 HA LEU 27 HA LEU 27 -14.315 15.185 6.002 218 HB2 LEU 27 2HB LEU 27 -16.083 16.477 4.047 219 HB3 LEU 27 3HB LEU 27 -16.835 15.181 4.975 220 HG LEU 27 HG LEU 27 -17.264 17.338 6.001 221 HD11 LEU 27 1HD1 LEU 27 -16.598 16.818 8.236 222 HD12 LEU 27 2HD1 LEU 27 -15.272 15.807 7.662 223 HD13 LEU 27 3HD1 LEU 27 -16.942 15.303 7.402 224 HD21 LEU 27 3HD2 LEU 27 -14.569 17.849 5.290 225 HD22 LEU 27 1HD2 LEU 27 -14.701 17.984 7.044 226 HD23 LEU 27 2HD2 LEU 27 -15.746 18.953 6.004 227 H ILE 28 H ILE 28 -15.008 14.232 2.661 228 HA ILE 28 HA ILE 28 -16.094 11.696 3.294 229 HB ILE 28 HB ILE 28 -14.838 12.727 0.752 230 HG12 ILE 28 2HG1 ILE 28 -17.028 13.707 1.655 231 HG13 ILE 28 3HG1 ILE 28 -17.040 13.116 -0.003 232 HG21 ILE 28 1HG2 ILE 28 -16.114 10.739 -0.254 233 HG22 ILE 28 2HG2 ILE 28 -14.580 10.419 0.552 234 HG23 ILE 28 3HG2 ILE 28 -16.098 10.082 1.382 235 HD11 ILE 28 3HD1 ILE 28 -18.957 12.538 1.718 236 HD12 ILE 28 1HD1 ILE 28 -18.439 11.398 0.477 237 HD13 ILE 28 2HD1 ILE 28 -17.849 11.230 2.131 238 H GLU 29 H GLU 29 -12.851 12.694 2.222 239 HA GLU 29 HA GLU 29 -11.713 10.117 2.258 240 HB2 GLU 29 2HB GLU 29 -9.579 11.221 2.112 241 HB3 GLU 29 3HB GLU 29 -10.729 12.091 1.106 242 HG2 GLU 29 2HG GLU 29 -9.634 13.808 2.159 243 HG3 GLU 29 3HG GLU 29 -11.038 13.588 3.203 244 H ASN 30 H ASN 30 -12.157 12.547 4.743 245 HA ASN 30 HA ASN 30 -10.421 11.439 6.675 246 HB2 ASN 30 2HB ASN 30 -11.161 13.706 6.943 247 HB3 ASN 30 3HB ASN 30 -12.852 13.213 6.943 248 HD21 ASN 30 1HD2 ASN 30 -13.722 13.334 8.868 249 HD22 ASN 30 2HD2 ASN 30 -12.941 12.987 10.369 250 H CYS 31 H CYS 31 -13.964 11.210 6.345 251 HA CYS 31 HA CYS 31 -14.268 9.311 8.424 252 HB2 CYS 31 2HB CYS 31 -15.971 10.645 6.478 253 HB3 CYS 31 3HB CYS 31 -16.446 8.969 6.726 254 HG CYS 31 HG CYS 31 -16.427 9.431 9.628 255 H LYS 32 H LYS 32 -14.136 9.000 4.891 256 HA LYS 32 HA LYS 32 -14.540 6.227 4.764 257 HB2 LYS 32 2HB LYS 32 -13.157 8.168 2.921 258 HB3 LYS 32 3HB LYS 32 -13.289 6.457 2.539 259 HG2 LYS 32 2HG LYS 32 -15.774 6.693 2.779 260 HG3 LYS 32 3HG LYS 32 -15.524 8.437 2.893 261 HD2 LYS 32 2HD LYS 32 -16.069 7.889 0.619 262 HD3 LYS 32 3HD LYS 32 -14.368 8.354 0.691 263 HE2 LYS 32 2HE LYS 32 -14.525 5.558 1.136 264 HE3 LYS 32 3HE LYS 32 -15.520 5.934 -0.270 265 HZ1 LYS 32 3HZ LYS 32 -13.107 5.449 -0.714 266 HZ2 LYS 32 1HZ LYS 32 -12.746 6.927 0.027 267 HZ3 LYS 32 2HZ LYS 32 -13.696 6.892 -1.373 268 H LYS 33 H LYS 33 -11.712 8.131 5.479 269 HA LYS 33 HA LYS 33 -9.708 6.240 5.001 270 HB2 LYS 33 2HB LYS 33 -9.971 8.742 6.503 271 HB3 LYS 33 3HB LYS 33 -8.792 7.633 7.192 272 HG2 LYS 33 2HG LYS 33 -8.453 7.766 4.350 273 HG3 LYS 33 3HG LYS 33 -8.449 9.391 5.039 274 HD2 LYS 33 2HD LYS 33 -6.894 7.426 6.561 275 HD3 LYS 33 3HD LYS 33 -6.288 7.729 4.931 276 HE2 LYS 33 2HE LYS 33 -5.607 9.808 5.443 277 HE3 LYS 33 3HE LYS 33 -7.043 10.144 6.409 278 HZ1 LYS 33 3HZ LYS 33 -6.075 9.343 8.298 279 HZ2 LYS 33 1HZ LYS 33 -4.702 9.947 7.515 280 HZ3 LYS 33 2HZ LYS 33 -5.037 8.290 7.475 281 H ARG 34 H ARG 34 -12.147 6.329 7.396 282 HA ARG 34 HA ARG 34 -10.769 4.728 9.345 283 HB2 ARG 34 2HB ARG 34 -13.102 6.277 9.303 284 HB3 ARG 34 3HB ARG 34 -13.653 4.626 9.555 285 HG2 ARG 34 2HG ARG 34 -13.321 5.644 11.685 286 HG3 ARG 34 3HG ARG 34 -12.051 4.443 11.446 287 HD2 ARG 34 2HD ARG 34 -10.416 5.992 11.415 288 HD3 ARG 34 3HD ARG 34 -11.395 7.152 10.518 289 HE ARG 34 HE ARG 34 -12.532 7.186 12.959 290 HH11 ARG 34 1HH1 ARG 34 -9.232 7.479 11.888 291 HH12 ARG 34 2HH1 ARG 34 -8.758 8.499 13.206 292 HH21 ARG 34 1HH2 ARG 34 -11.920 8.529 14.698 293 HH22 ARG 34 2HH2 ARG 34 -10.288 9.095 14.804 294 H ASN 35 H ASN 35 -11.955 4.033 6.355 295 HA ASN 35 HA ASN 35 -12.283 1.199 7.053 296 HB2 ASN 35 2HB ASN 35 -14.100 2.895 5.358 297 HB3 ASN 35 3HB ASN 35 -14.001 1.153 5.117 298 HD21 ASN 35 1HD2 ASN 35 -14.982 -0.195 6.531 299 HD22 ASN 35 2HD2 ASN 35 -15.935 0.337 7.870 300 H MET 36 H MET 36 -12.096 3.350 4.208 301 HA MET 36 HA MET 36 -9.973 1.605 3.153 302 HB2 MET 36 2HB MET 36 -12.490 2.511 1.874 303 HB3 MET 36 3HB MET 36 -11.048 2.528 0.868 304 HG2 MET 36 2HG MET 36 -11.659 0.084 2.446 305 HG3 MET 36 3HG MET 36 -12.601 0.421 0.996 306 HE1 MET 36 3HE MET 36 -11.081 -2.328 0.715 307 HE2 MET 36 1HE MET 36 -12.100 -1.413 -0.397 308 HE3 MET 36 2HE MET 36 -10.521 -1.995 -0.925 309 HA PRO 37 HA PRO 37 -8.514 6.003 3.414 310 HB2 PRO 37 2HB PRO 37 -6.090 5.379 4.465 311 HB3 PRO 37 3HB PRO 37 -7.532 5.627 5.457 312 HG2 PRO 37 2HG PRO 37 -6.285 3.067 4.534 313 HG3 PRO 37 3HG PRO 37 -6.943 3.480 6.128 314 HD2 PRO 37 2HD PRO 37 -8.322 2.010 4.320 315 HD3 PRO 37 3HD PRO 37 -9.119 3.106 5.467 316 H LEU 38 H LEU 38 -6.753 7.003 2.269 317 HA LEU 38 HA LEU 38 -5.737 5.321 0.079 318 HB2 LEU 38 2HB LEU 38 -6.990 7.892 0.147 319 HB3 LEU 38 3HB LEU 38 -5.367 8.053 -0.519 320 HG LEU 38 HG LEU 38 -6.954 7.772 -2.309 321 HD11 LEU 38 1HD1 LEU 38 -5.359 5.249 -1.881 322 HD12 LEU 38 2HD1 LEU 38 -4.752 6.750 -2.580 323 HD13 LEU 38 3HD1 LEU 38 -5.998 5.826 -3.420 324 HD21 LEU 38 3HD2 LEU 38 -8.391 6.246 -0.578 325 HD22 LEU 38 1HD2 LEU 38 -7.701 5.016 -1.637 326 HD23 LEU 38 2HD2 LEU 38 -8.668 6.323 -2.319 327 H GLN 39 H GLN 39 -3.737 6.832 -0.919 328 HA GLN 39 HA GLN 39 -1.627 6.355 0.945 329 HB2 GLN 39 2HB GLN 39 -1.687 6.303 -1.710 330 HB3 GLN 39 3HB GLN 39 -1.171 7.973 -1.517 331 HG2 GLN 39 2HG GLN 39 0.287 5.932 0.046 332 HG3 GLN 39 3HG GLN 39 0.533 5.938 -1.699 333 HE21 GLN 39 1HE2 GLN 39 1.557 7.196 1.189 334 HE22 GLN 39 2HE2 GLN 39 2.422 8.571 0.602 335 H SER 40 H SER 40 -3.345 9.190 -0.202 336 HA SER 40 HA SER 40 -2.532 10.731 2.050 337 HB2 SER 40 2HB SER 40 -1.082 11.071 -0.521 338 HB3 SER 40 3HB SER 40 -1.556 12.544 0.324 339 HG SER 40 HG SER 40 -0.508 11.619 2.203 340 H ILE 41 H ILE 41 -3.185 11.753 -1.289 341 HA ILE 41 HA ILE 41 -5.691 12.968 -0.327 342 HB ILE 41 HB ILE 41 -5.453 14.457 -2.371 343 HG12 ILE 41 2HG1 ILE 41 -2.535 14.092 -2.343 344 HG13 ILE 41 3HG1 ILE 41 -3.425 12.742 -3.038 345 HG21 ILE 41 1HG2 ILE 41 -5.078 15.400 -0.235 346 HG22 ILE 41 2HG2 ILE 41 -3.518 14.594 -0.074 347 HG23 ILE 41 3HG2 ILE 41 -3.718 15.902 -1.240 348 HD11 ILE 41 3HD1 ILE 41 -2.957 14.107 -4.853 349 HD12 ILE 41 1HD1 ILE 41 -4.621 14.519 -4.443 350 HD13 ILE 41 2HD1 ILE 41 -3.303 15.584 -3.955 351 HA PRO 42 HA PRO 42 -7.268 9.720 -3.082 352 HB2 PRO 42 2HB PRO 42 -9.745 9.697 -1.970 353 HB3 PRO 42 3HB PRO 42 -8.372 8.828 -1.274 354 HG2 PRO 42 2HG PRO 42 -9.522 11.482 -0.502 355 HG3 PRO 42 3HG PRO 42 -8.972 10.155 0.538 356 HD2 PRO 42 2HD PRO 42 -7.462 12.350 0.055 357 HD3 PRO 42 3HD PRO 42 -6.754 10.746 0.332 358 H GLU 43 H GLU 43 -7.597 10.543 -5.067 359 HA GLU 43 HA GLU 43 -10.025 12.047 -5.554 360 HB2 GLU 43 2HB GLU 43 -8.116 13.696 -5.078 361 HB3 GLU 43 3HB GLU 43 -7.442 13.170 -6.615 362 HG2 GLU 43 2HG GLU 43 -9.748 13.772 -7.585 363 HG3 GLU 43 3HG GLU 43 -9.972 14.672 -6.086 364 H ILE 44 H ILE 44 -10.842 11.749 -7.593 365 HA ILE 44 HA ILE 44 -9.209 10.499 -9.644 366 HB ILE 44 HB ILE 44 -11.676 9.128 -8.567 367 HG12 ILE 44 2HG1 ILE 44 -8.765 8.301 -8.554 368 HG13 ILE 44 3HG1 ILE 44 -9.712 8.779 -7.150 369 HG21 ILE 44 1HG2 ILE 44 -11.234 7.414 -10.241 370 HG22 ILE 44 2HG2 ILE 44 -11.506 8.981 -11.002 371 HG23 ILE 44 3HG2 ILE 44 -9.867 8.347 -10.850 372 HD11 ILE 44 3HD1 ILE 44 -10.242 6.369 -8.871 373 HD12 ILE 44 1HD1 ILE 44 -9.435 6.358 -7.304 374 HD13 ILE 44 2HD1 ILE 44 -11.129 6.834 -7.419 375 H GLY 45 H GLY 45 -9.623 11.653 -11.404 376 HA2 GLY 45 2HA GLY 45 -11.129 12.162 -13.205 377 HA3 GLY 45 3HA GLY 45 -12.429 12.291 -12.029 378 H ASN 46 H ASN 46 -12.469 14.149 -10.624 379 HA ASN 46 HA ASN 46 -10.720 16.317 -10.788 380 HB2 ASN 46 2HB ASN 46 -12.073 16.109 -13.155 381 HB3 ASN 46 3HB ASN 46 -13.111 17.212 -12.255 382 HD21 ASN 46 1HD2 ASN 46 -11.602 18.827 -10.915 383 HD22 ASN 46 2HD2 ASN 46 -10.461 19.663 -11.908 384 H ARG 47 H ARG 47 -12.228 14.949 -8.830 385 HA ARG 47 HA ARG 47 -13.429 15.371 -6.945 386 HB2 ARG 47 2HB ARG 47 -13.487 18.278 -7.727 387 HB3 ARG 47 3HB ARG 47 -13.520 17.582 -6.113 388 HG2 ARG 47 2HG ARG 47 -11.138 16.671 -7.203 389 HG3 ARG 47 3HG ARG 47 -11.268 18.345 -7.749 390 HD2 ARG 47 2HD ARG 47 -11.939 17.848 -4.920 391 HD3 ARG 47 3HD ARG 47 -10.248 17.617 -5.364 392 HE ARG 47 HE ARG 47 -11.058 20.048 -6.437 393 HH11 ARG 47 1HH1 ARG 47 -10.655 18.596 -3.299 394 HH12 ARG 47 2HH1 ARG 47 -10.296 20.094 -2.507 395 HH21 ARG 47 1HH2 ARG 47 -10.587 22.028 -5.406 396 HH22 ARG 47 2HH2 ARG 47 -10.259 22.046 -3.706 397 H LYS 48 H LYS 48 -15.393 14.492 -7.128 398 HA LYS 48 HA LYS 48 -17.562 16.170 -8.129 399 HB2 LYS 48 2HB LYS 48 -16.920 13.405 -9.145 400 HB3 LYS 48 3HB LYS 48 -18.521 14.117 -9.301 401 HG2 LYS 48 2HG LYS 48 -17.809 15.715 -10.811 402 HG3 LYS 48 3HG LYS 48 -16.122 15.586 -10.307 403 HD2 LYS 48 2HD LYS 48 -17.372 13.158 -11.454 404 HD3 LYS 48 3HD LYS 48 -17.050 14.493 -12.564 405 HE2 LYS 48 2HE LYS 48 -14.769 14.166 -10.912 406 HE3 LYS 48 3HE LYS 48 -15.235 12.571 -11.502 407 HZ1 LYS 48 3HZ LYS 48 -13.911 14.614 -12.886 408 HZ2 LYS 48 1HZ LYS 48 -15.410 14.372 -13.633 409 HZ3 LYS 48 2HZ LYS 48 -14.339 13.076 -13.446 410 H ILE 49 H ILE 49 -16.423 14.770 -5.588 411 HA ILE 49 HA ILE 49 -18.683 13.153 -4.765 412 HB ILE 49 HB ILE 49 -16.401 14.067 -3.023 413 HG12 ILE 49 2HG1 ILE 49 -16.518 11.532 -4.667 414 HG13 ILE 49 3HG1 ILE 49 -15.598 12.960 -5.129 415 HG21 ILE 49 1HG2 ILE 49 -16.941 11.826 -1.931 416 HG22 ILE 49 2HG2 ILE 49 -18.099 13.135 -1.701 417 HG23 ILE 49 3HG2 ILE 49 -18.431 11.860 -2.874 418 HD11 ILE 49 3HD1 ILE 49 -13.928 12.454 -3.751 419 HD12 ILE 49 1HD1 ILE 49 -15.020 12.049 -2.427 420 HD13 ILE 49 2HD1 ILE 49 -14.657 10.851 -3.669 421 H ASN 50 H ASN 50 -18.034 16.409 -4.907 422 HA ASN 50 HA ASN 50 -19.187 17.250 -2.427 423 HB2 ASN 50 2HB ASN 50 -17.598 18.663 -3.672 424 HB3 ASN 50 3HB ASN 50 -18.758 18.803 -4.990 425 HD21 ASN 50 1HD2 ASN 50 -19.176 18.961 -1.478 426 HD22 ASN 50 2HD2 ASN 50 -19.866 20.546 -1.459 427 H LEU 51 H LEU 51 -21.212 18.275 -2.120 428 HA LEU 51 HA LEU 51 -23.365 17.007 -3.482 429 HB2 LEU 51 2HB LEU 51 -22.997 18.409 -1.081 430 HB3 LEU 51 3HB LEU 51 -24.194 19.325 -1.995 431 HG LEU 51 HG LEU 51 -25.367 17.832 -0.565 432 HD11 LEU 51 1HD1 LEU 51 -26.177 18.077 -2.909 433 HD12 LEU 51 2HD1 LEU 51 -26.674 16.579 -2.124 434 HD13 LEU 51 3HD1 LEU 51 -25.358 16.564 -3.297 435 HD21 LEU 51 3HD2 LEU 51 -23.218 16.260 -0.562 436 HD22 LEU 51 1HD2 LEU 51 -24.194 15.376 -1.735 437 HD23 LEU 51 2HD2 LEU 51 -24.821 15.675 -0.113 438 H PHE 52 H PHE 52 -21.603 19.900 -3.998 439 HA PHE 52 HA PHE 52 -23.707 21.059 -5.666 440 HB2 PHE 52 2HB PHE 52 -22.069 22.306 -3.971 441 HB3 PHE 52 3HB PHE 52 -21.037 22.353 -5.397 442 HD1 PHE 52 HD2 PHE 52 -21.737 23.582 -7.396 443 HD2 PHE 52 HD1 PHE 52 -24.050 23.628 -3.823 444 HE1 PHE 52 HE2 PHE 52 -22.969 25.544 -8.223 445 HE2 PHE 52 HE1 PHE 52 -25.286 25.590 -4.645 446 HZ PHE 52 HZ PHE 52 -24.746 26.551 -6.847 447 H TYR 53 H TYR 53 -20.524 19.604 -5.875 448 HA TYR 53 HA TYR 53 -20.104 20.207 -8.631 449 HB2 TYR 53 2HB TYR 53 -18.377 19.545 -6.798 450 HB3 TYR 53 3HB TYR 53 -18.805 17.893 -7.226 451 HD1 TYR 53 HD1 TYR 53 -18.834 17.510 -9.905 452 HD2 TYR 53 HD2 TYR 53 -16.521 20.421 -7.837 453 HE1 TYR 53 HE1 TYR 53 -17.255 17.586 -11.790 454 HE2 TYR 53 HE2 TYR 53 -14.936 20.506 -9.716 455 HH TYR 53 HH TYR 53 -15.484 18.622 -12.668 456 H LEU 54 H LEU 54 -21.065 17.244 -6.906 457 HA LEU 54 HA LEU 54 -21.438 15.660 -9.199 458 HB2 LEU 54 2HB LEU 54 -22.284 14.053 -7.793 459 HB3 LEU 54 3HB LEU 54 -21.305 15.017 -6.689 460 HG LEU 54 HG LEU 54 -23.635 16.236 -6.298 461 HD11 LEU 54 1HD1 LEU 54 -25.254 14.136 -6.164 462 HD12 LEU 54 2HD1 LEU 54 -24.300 13.638 -7.561 463 HD13 LEU 54 3HD1 LEU 54 -25.171 15.172 -7.589 464 HD21 LEU 54 3HD2 LEU 54 -22.041 14.775 -4.786 465 HD22 LEU 54 1HD2 LEU 54 -23.351 13.604 -4.942 466 HD23 LEU 54 2HD2 LEU 54 -23.672 15.199 -4.262 467 H TYR 55 H TYR 55 -23.445 18.035 -7.654 468 HA TYR 55 HA TYR 55 -25.882 17.231 -8.936 469 HB2 TYR 55 2HB TYR 55 -25.762 18.491 -6.763 470 HB3 TYR 55 3HB TYR 55 -25.245 19.904 -7.676 471 HD1 TYR 55 HD2 TYR 55 -28.047 17.558 -7.129 472 HD2 TYR 55 HD1 TYR 55 -26.813 21.245 -8.857 473 HE1 TYR 55 HE2 TYR 55 -30.400 18.152 -7.528 474 HE2 TYR 55 HE1 TYR 55 -29.162 21.849 -9.260 475 HH TYR 55 HH TYR 55 -31.429 20.311 -9.581 476 H MET 56 H MET 56 -23.627 19.954 -9.373 477 HA MET 56 HA MET 56 -24.890 21.100 -11.588 478 HB2 MET 56 2HB MET 56 -23.140 22.232 -10.285 479 HB3 MET 56 3HB MET 56 -21.945 21.098 -10.900 480 HG2 MET 56 2HG MET 56 -21.668 23.024 -12.185 481 HG3 MET 56 3HG MET 56 -22.576 21.919 -13.214 482 HE1 MET 56 3HE MET 56 -24.461 24.763 -14.614 483 HE2 MET 56 1HE MET 56 -22.788 25.092 -14.162 484 HE3 MET 56 2HE MET 56 -23.235 23.507 -14.793 485 H LEU 57 H LEU 57 -22.466 18.543 -11.375 486 HA LEU 57 HA LEU 57 -21.862 18.326 -14.100 487 HB2 LEU 57 2HB LEU 57 -20.514 17.251 -12.416 488 HB3 LEU 57 3HB LEU 57 -21.870 16.237 -11.929 489 HG LEU 57 HG LEU 57 -21.260 15.876 -14.729 490 HD11 LEU 57 1HD1 LEU 57 -19.010 16.408 -14.301 491 HD12 LEU 57 2HD1 LEU 57 -19.094 14.648 -14.250 492 HD13 LEU 57 3HD1 LEU 57 -19.022 15.571 -12.749 493 HD21 LEU 57 3HD2 LEU 57 -21.236 13.546 -14.082 494 HD22 LEU 57 1HD2 LEU 57 -22.590 14.367 -13.304 495 HD23 LEU 57 2HD2 LEU 57 -21.137 13.991 -12.378 496 H VAL 58 H VAL 58 -24.274 16.592 -12.145 497 HA VAL 58 HA VAL 58 -25.306 14.995 -14.207 498 HB VAL 58 HB VAL 58 -26.722 16.036 -11.749 499 HG11 VAL 58 1HG1 VAL 58 -28.525 15.213 -12.817 500 HG12 VAL 58 2HG1 VAL 58 -27.555 14.253 -13.935 501 HG13 VAL 58 3HG1 VAL 58 -27.878 13.654 -12.308 502 HG21 VAL 58 3HG2 VAL 58 -24.540 14.340 -11.915 503 HG22 VAL 58 1HG2 VAL 58 -25.640 14.502 -10.546 504 HG23 VAL 58 2HG2 VAL 58 -25.916 13.248 -11.755 505 H GLN 59 H GLN 59 -26.440 18.123 -12.942 506 HA GLN 59 HA GLN 59 -28.633 18.432 -14.640 507 HB2 GLN 59 2HB GLN 59 -28.410 19.870 -12.744 508 HB3 GLN 59 3HB GLN 59 -26.854 20.469 -13.303 509 HG2 GLN 59 2HG GLN 59 -27.801 21.813 -14.922 510 HG3 GLN 59 3HG GLN 59 -29.296 20.880 -14.967 511 HE21 GLN 59 1HE2 GLN 59 -30.517 20.901 -12.835 512 HE22 GLN 59 2HE2 GLN 59 -30.648 22.432 -12.046 513 H LYS 60 H LYS 60 -25.227 19.118 -15.134 514 HA LYS 60 HA LYS 60 -25.573 20.559 -17.573 515 HB2 LYS 60 2HB LYS 60 -23.307 19.502 -15.996 516 HB3 LYS 60 3HB LYS 60 -23.020 19.662 -17.724 517 HG2 LYS 60 2HG LYS 60 -24.068 21.902 -16.014 518 HG3 LYS 60 3HG LYS 60 -22.351 21.631 -16.323 519 HD2 LYS 60 2HD LYS 60 -23.078 21.634 -18.823 520 HD3 LYS 60 3HD LYS 60 -24.512 22.466 -18.217 521 HE2 LYS 60 2HE LYS 60 -23.245 24.275 -17.406 522 HE3 LYS 60 3HE LYS 60 -21.732 23.380 -17.535 523 HZ1 LYS 60 3HZ LYS 60 -22.682 25.134 -19.366 524 HZ2 LYS 60 1HZ LYS 60 -23.114 23.643 -20.038 525 HZ3 LYS 60 2HZ LYS 60 -21.497 23.962 -19.659 526 H PHE 61 H PHE 61 -25.079 17.190 -16.729 527 HA PHE 61 HA PHE 61 -24.605 16.324 -19.418 528 HB2 PHE 61 2HB PHE 61 -24.714 15.113 -16.768 529 HB3 PHE 61 3HB PHE 61 -25.451 14.095 -18.001 530 HD1 PHE 61 HD2 PHE 61 -23.933 14.227 -20.312 531 HD2 PHE 61 HD1 PHE 61 -22.551 14.557 -16.299 532 HE1 PHE 61 HE2 PHE 61 -21.701 13.474 -21.022 533 HE2 PHE 61 HE1 PHE 61 -20.317 13.805 -17.003 534 HZ PHE 61 HZ PHE 61 -19.889 13.261 -19.367 535 H GLY 62 H GLY 62 -27.343 17.349 -17.802 536 HA2 GLY 62 2HA GLY 62 -29.423 17.572 -18.954 537 HA3 GLY 62 3HA GLY 62 -29.048 16.106 -19.848 538 H GLY 63 H GLY 63 -28.443 16.076 -16.459 539 HA2 GLY 63 2HA GLY 63 -29.756 15.302 -14.680 540 HA3 GLY 63 3HA GLY 63 -31.061 14.980 -15.812 541 H ALA 64 H ALA 64 -30.187 13.222 -13.753 542 HA ALA 64 HA ALA 64 -28.427 11.227 -14.471 543 HB1 ALA 64 1HB ALA 64 -30.679 10.006 -13.222 544 HB2 ALA 64 2HB ALA 64 -29.109 10.409 -12.526 545 HB3 ALA 64 3HB ALA 64 -30.415 11.593 -12.499 546 H ASP 65 H ASP 65 -31.688 11.792 -15.605 547 HA ASP 65 HA ASP 65 -32.165 9.288 -16.793 548 HB2 ASP 65 2HB ASP 65 -33.222 12.038 -17.465 549 HB3 ASP 65 3HB ASP 65 -33.815 10.557 -18.212 550 H GLN 66 H GLN 66 -30.527 12.176 -17.956 551 HA GLN 66 HA GLN 66 -30.268 11.325 -20.651 552 HB2 GLN 66 2HB GLN 66 -30.009 13.695 -19.662 553 HB3 GLN 66 3HB GLN 66 -28.362 13.207 -19.284 554 HG2 GLN 66 2HG GLN 66 -27.695 13.517 -21.375 555 HG3 GLN 66 3HG GLN 66 -29.050 12.594 -22.022 556 HE21 GLN 66 1HE2 GLN 66 -27.663 15.283 -22.604 557 HE22 GLN 66 2HE2 GLN 66 -28.990 16.368 -22.823 558 H VAL 67 H VAL 67 -28.269 10.967 -17.776 559 HA VAL 67 HA VAL 67 -25.981 9.926 -19.079 560 HB VAL 67 HB VAL 67 -26.836 9.363 -16.240 561 HG11 VAL 67 1HG1 VAL 67 -24.086 9.505 -17.469 562 HG12 VAL 67 2HG1 VAL 67 -24.485 9.053 -15.811 563 HG13 VAL 67 3HG1 VAL 67 -24.968 8.012 -17.151 564 HG21 VAL 67 3HG2 VAL 67 -25.429 11.752 -17.414 565 HG22 VAL 67 1HG2 VAL 67 -26.919 11.722 -16.471 566 HG23 VAL 67 2HG2 VAL 67 -25.379 11.348 -15.698 567 H THR 68 H THR 68 -28.899 8.459 -17.783 568 HA THR 68 HA THR 68 -27.928 5.766 -18.228 569 HB THR 68 HB THR 68 -29.401 6.199 -16.318 570 HG1 THR 68 HG1 THR 68 -30.473 4.337 -16.594 571 HG21 THR 68 3HG2 THR 68 -30.741 8.000 -17.347 572 HG22 THR 68 1HG2 THR 68 -31.748 6.744 -16.628 573 HG23 THR 68 2HG2 THR 68 -31.527 6.804 -18.377 574 H ARG 69 H ARG 69 -29.879 8.135 -19.866 575 HA ARG 69 HA ARG 69 -31.308 6.498 -21.619 576 HB2 ARG 69 2HB ARG 69 -31.713 8.919 -21.330 577 HB3 ARG 69 3HB ARG 69 -30.198 9.258 -22.156 578 HG2 ARG 69 2HG ARG 69 -31.430 7.689 -23.984 579 HG3 ARG 69 3HG ARG 69 -32.813 8.494 -23.240 580 HD2 ARG 69 2HD ARG 69 -32.242 10.523 -24.060 581 HD3 ARG 69 3HD ARG 69 -30.513 10.219 -23.894 582 HE ARG 69 HE ARG 69 -31.564 8.613 -25.956 583 HH11 ARG 69 1HH1 ARG 69 -30.802 11.932 -25.230 584 HH12 ARG 69 2HH1 ARG 69 -30.510 12.363 -26.882 585 HH21 ARG 69 1HH2 ARG 69 -31.182 9.168 -28.135 586 HH22 ARG 69 2HH2 ARG 69 -30.727 10.790 -28.534 587 H THR 70 H THR 70 -28.067 7.896 -21.917 588 HA THR 70 HA THR 70 -27.654 6.471 -24.435 589 HB THR 70 HB THR 70 -25.474 7.688 -24.496 590 HG1 THR 70 HG1 THR 70 -26.494 9.151 -22.279 591 HG21 THR 70 3HG2 THR 70 -26.985 10.038 -24.253 592 HG22 THR 70 1HG2 THR 70 -28.125 8.784 -24.739 593 HG23 THR 70 2HG2 THR 70 -26.693 9.100 -25.718 594 H GLN 71 H GLN 71 -27.390 5.769 -21.244 595 HA GLN 71 HA GLN 71 -26.322 4.157 -20.048 596 HB2 GLN 71 2HB GLN 71 -26.954 2.879 -22.195 597 HB3 GLN 71 3HB GLN 71 -25.258 3.042 -22.631 598 HG2 GLN 71 2HG GLN 71 -24.550 1.720 -20.837 599 HG3 GLN 71 3HG GLN 71 -26.102 1.858 -20.012 600 HE21 GLN 71 1HE2 GLN 71 -27.979 0.943 -21.264 601 HE22 GLN 71 2HE2 GLN 71 -27.716 -0.560 -22.073 602 H GLN 72 H GLN 72 -24.985 6.484 -20.089 603 HA GLN 72 HA GLN 72 -22.172 5.755 -20.557 604 HB2 GLN 72 2HB GLN 72 -23.336 7.860 -21.628 605 HB3 GLN 72 3HB GLN 72 -23.039 8.571 -20.048 606 HG2 GLN 72 2HG GLN 72 -20.769 8.574 -20.317 607 HG3 GLN 72 3HG GLN 72 -20.791 7.218 -21.442 608 HE21 GLN 72 1HE2 GLN 72 -19.797 10.150 -21.403 609 HE22 GLN 72 2HE2 GLN 72 -20.274 10.737 -22.956 610 H TRP 73 H TRP 73 -24.352 5.763 -18.162 611 HA TRP 73 HA TRP 73 -23.199 7.169 -16.046 612 HB2 TRP 73 2HB TRP 73 -25.417 6.279 -15.815 613 HB3 TRP 73 3HB TRP 73 -24.842 4.633 -16.064 614 HD1 TRP 73 HD1 TRP 73 -25.149 3.417 -13.833 615 HE1 TRP 73 HE1 TRP 73 -24.582 3.911 -11.371 616 HE3 TRP 73 HE3 TRP 73 -23.409 8.196 -14.344 617 HZ2 TRP 73 HZ2 TRP 73 -23.536 6.045 -9.848 618 HZ3 TRP 73 HZ3 TRP 73 -22.645 9.395 -12.336 619 HH2 TRP 73 HH2 TRP 73 -22.708 8.339 -10.135 620 H SER 74 H SER 74 -22.492 3.973 -17.336 621 HA SER 74 HA SER 74 -20.820 3.081 -15.254 622 HB2 SER 74 2HB SER 74 -21.260 1.289 -16.577 623 HB3 SER 74 3HB SER 74 -21.398 2.273 -18.034 624 HG SER 74 HG SER 74 -19.471 1.612 -18.500 625 H MET 75 H MET 75 -20.118 4.821 -18.261 626 HA MET 75 HA MET 75 -17.299 4.890 -17.837 627 HB2 MET 75 2HB MET 75 -18.642 5.175 -20.041 628 HB3 MET 75 3HB MET 75 -18.778 6.859 -19.554 629 HG2 MET 75 2HG MET 75 -16.063 6.062 -19.290 630 HG3 MET 75 3HG MET 75 -16.642 5.572 -20.880 631 HE1 MET 75 3HE MET 75 -17.409 8.555 -22.799 632 HE2 MET 75 1HE MET 75 -15.894 7.653 -22.878 633 HE3 MET 75 2HE MET 75 -17.411 6.805 -22.576 634 H VAL 76 H VAL 76 -19.906 7.266 -17.411 635 HA VAL 76 HA VAL 76 -18.307 9.390 -16.517 636 HB VAL 76 HB VAL 76 -21.179 8.794 -15.790 637 HG11 VAL 76 1HG1 VAL 76 -19.471 11.246 -15.496 638 HG12 VAL 76 2HG1 VAL 76 -21.233 11.333 -15.553 639 HG13 VAL 76 3HG1 VAL 76 -20.434 10.421 -14.271 640 HG21 VAL 76 3HG2 VAL 76 -20.082 9.334 -18.289 641 HG22 VAL 76 1HG2 VAL 76 -21.781 9.451 -17.830 642 HG23 VAL 76 2HG2 VAL 76 -20.745 10.876 -17.748 643 H ALA 77 H ALA 77 -20.071 6.904 -14.686 644 HA ALA 77 HA ALA 77 -19.478 7.770 -12.115 645 HB1 ALA 77 1HB ALA 77 -20.028 5.054 -13.258 646 HB2 ALA 77 2HB ALA 77 -19.679 5.273 -11.542 647 HB3 ALA 77 3HB ALA 77 -21.071 6.077 -12.269 648 H GLN 78 H GLN 78 -17.559 5.822 -14.340 649 HA GLN 78 HA GLN 78 -15.550 5.053 -12.526 650 HB2 GLN 78 2HB GLN 78 -15.986 4.955 -15.397 651 HB3 GLN 78 3HB GLN 78 -14.302 5.275 -15.005 652 HG2 GLN 78 2HG GLN 78 -13.964 3.218 -14.159 653 HG3 GLN 78 3HG GLN 78 -15.585 3.115 -13.473 654 HE21 GLN 78 1HE2 GLN 78 -13.619 2.593 -16.285 655 HE22 GLN 78 2HE2 GLN 78 -14.767 1.649 -17.165 656 H ARG 79 H ARG 79 -16.053 7.966 -14.397 657 HA ARG 79 HA ARG 79 -13.500 9.082 -14.251 658 HB2 ARG 79 2HB ARG 79 -15.964 9.874 -15.226 659 HB3 ARG 79 3HB ARG 79 -15.646 11.039 -13.948 660 HG2 ARG 79 2HG ARG 79 -14.624 12.127 -15.641 661 HG3 ARG 79 3HG ARG 79 -13.272 11.102 -15.154 662 HD2 ARG 79 2HD ARG 79 -15.191 10.675 -17.433 663 HD3 ARG 79 3HD ARG 79 -13.454 10.960 -17.523 664 HE ARG 79 HE ARG 79 -14.779 8.460 -16.999 665 HH11 ARG 79 1HH1 ARG 79 -11.833 10.280 -16.646 666 HH12 ARG 79 2HH1 ARG 79 -10.829 8.875 -16.504 667 HH21 ARG 79 1HH2 ARG 79 -13.468 6.603 -16.814 668 HH22 ARG 79 2HH2 ARG 79 -11.760 6.784 -16.601 669 H LEU 80 H LEU 80 -16.205 9.254 -11.971 670 HA LEU 80 HA LEU 80 -14.523 10.710 -10.070 671 HB2 LEU 80 2HB LEU 80 -16.700 10.758 -8.740 672 HB3 LEU 80 3HB LEU 80 -16.612 11.720 -10.213 673 HG LEU 80 HG LEU 80 -17.766 8.993 -10.428 674 HD11 LEU 80 1HD1 LEU 80 -18.725 9.985 -8.337 675 HD12 LEU 80 2HD1 LEU 80 -19.902 9.636 -9.603 676 HD13 LEU 80 3HD1 LEU 80 -19.367 11.294 -9.330 677 HD21 LEU 80 3HD2 LEU 80 -18.959 9.909 -12.193 678 HD22 LEU 80 1HD2 LEU 80 -17.423 10.772 -12.273 679 HD23 LEU 80 2HD2 LEU 80 -18.836 11.551 -11.559 680 H GLN 81 H GLN 81 -15.163 7.578 -10.855 681 HA GLN 81 HA GLN 81 -14.784 5.584 -9.828 682 HB2 GLN 81 2HB GLN 81 -12.748 6.836 -9.017 683 HB3 GLN 81 3HB GLN 81 -13.637 7.183 -7.540 684 HG2 GLN 81 2HG GLN 81 -12.680 5.317 -6.780 685 HG3 GLN 81 3HG GLN 81 -13.933 4.495 -7.708 686 HE21 GLN 81 1HE2 GLN 81 -13.025 4.878 -10.270 687 HE22 GLN 81 2HE2 GLN 81 -11.537 4.027 -10.488 688 H ILE 82 H ILE 82 -17.321 6.452 -9.625 689 HA ILE 82 HA ILE 82 -18.106 6.045 -6.823 690 HB ILE 82 HB ILE 82 -19.001 8.063 -7.933 691 HG12 ILE 82 2HG1 ILE 82 -21.315 6.197 -7.518 692 HG13 ILE 82 3HG1 ILE 82 -20.248 6.590 -6.174 693 HG21 ILE 82 1HG2 ILE 82 -20.774 7.751 -9.660 694 HG22 ILE 82 2HG2 ILE 82 -19.150 7.330 -10.203 695 HG23 ILE 82 3HG2 ILE 82 -20.293 6.058 -9.772 696 HD11 ILE 82 3HD1 ILE 82 -21.471 8.769 -7.805 697 HD12 ILE 82 1HD1 ILE 82 -22.402 7.964 -6.542 698 HD13 ILE 82 2HD1 ILE 82 -20.903 8.801 -6.136 699 H SER 83 H SER 83 -18.207 4.634 -9.978 700 HA SER 83 HA SER 83 -19.488 2.261 -8.856 701 HB2 SER 83 2HB SER 83 -20.391 3.301 -11.535 702 HB3 SER 83 3HB SER 83 -21.153 2.079 -10.518 703 HG SER 83 HG SER 83 -21.623 3.760 -9.019 704 H ASP 84 H ASP 84 -17.189 1.650 -9.000 705 HA ASP 84 HA ASP 84 -16.317 1.010 -11.731 706 HB2 ASP 84 2HB ASP 84 -14.908 1.577 -9.183 707 HB3 ASP 84 3HB ASP 84 -14.173 0.369 -10.233 708 H TYR 85 H TYR 85 -18.224 -0.635 -11.298 709 HA TYR 85 HA TYR 85 -18.746 -2.856 -11.320 710 HB2 TYR 85 2HB TYR 85 -16.139 -2.898 -11.998 711 HB3 TYR 85 3HB TYR 85 -16.057 -3.774 -10.474 712 HD1 TYR 85 HD2 TYR 85 -18.574 -3.757 -13.238 713 HD2 TYR 85 HD1 TYR 85 -15.833 -6.030 -10.910 714 HE1 TYR 85 HE2 TYR 85 -19.310 -5.806 -14.382 715 HE2 TYR 85 HE1 TYR 85 -16.561 -8.085 -12.048 716 HH TYR 85 HH TYR 85 -18.045 -8.224 -14.820 717 H GLN 86 H GLN 86 -17.299 -4.808 -9.553 718 HA GLN 86 HA GLN 86 -18.973 -4.823 -7.375 719 HB2 GLN 86 2HB GLN 86 -17.489 -6.419 -6.364 720 HB3 GLN 86 3HB GLN 86 -17.495 -6.698 -8.100 721 HG2 GLN 86 2HG GLN 86 -15.380 -5.467 -8.289 722 HG3 GLN 86 3HG GLN 86 -15.368 -5.249 -6.540 723 HE21 GLN 86 1HE2 GLN 86 -13.710 -6.780 -8.635 724 HE22 GLN 86 2HE2 GLN 86 -13.497 -8.333 -7.908 725 H GLN 87 H GLN 87 -15.974 -3.075 -7.803 726 HA GLN 87 HA GLN 87 -15.401 -2.396 -5.167 727 HB2 GLN 87 2HB GLN 87 -14.443 -1.692 -7.708 728 HB3 GLN 87 3HB GLN 87 -14.894 -0.174 -6.944 729 HG2 GLN 87 2HG GLN 87 -12.907 -0.219 -5.965 730 HG3 GLN 87 3HG GLN 87 -13.538 -1.518 -4.955 731 HE21 GLN 87 1HE2 GLN 87 -12.865 -3.594 -5.291 732 HE22 GLN 87 2HE2 GLN 87 -11.587 -4.015 -6.375 733 H LEU 88 H LEU 88 -17.841 -1.178 -7.330 734 HA LEU 88 HA LEU 88 -18.453 1.264 -6.175 735 HB2 LEU 88 2HB LEU 88 -20.463 1.182 -7.315 736 HB3 LEU 88 3HB LEU 88 -19.426 0.113 -8.258 737 HG LEU 88 HG LEU 88 -20.557 -1.718 -6.688 738 HD11 LEU 88 1HD1 LEU 88 -21.987 -0.501 -5.353 739 HD12 LEU 88 2HD1 LEU 88 -23.056 -0.991 -6.667 740 HD13 LEU 88 3HD1 LEU 88 -22.387 0.641 -6.636 741 HD21 LEU 88 3HD2 LEU 88 -21.057 -2.343 -8.761 742 HD22 LEU 88 1HD2 LEU 88 -21.007 -0.677 -9.338 743 HD23 LEU 88 2HD2 LEU 88 -22.497 -1.330 -8.656 744 H GLU 89 H GLU 89 -19.010 -1.940 -4.988 745 HA GLU 89 HA GLU 89 -21.067 -1.324 -3.131 746 HB2 GLU 89 2HB GLU 89 -20.170 -3.631 -4.036 747 HB3 GLU 89 3HB GLU 89 -19.116 -3.533 -2.633 748 HG2 GLU 89 2HG GLU 89 -20.786 -3.916 -1.177 749 HG3 GLU 89 3HG GLU 89 -21.967 -3.014 -2.125 750 H SER 90 H SER 90 -17.539 -1.550 -2.857 751 HA SER 90 HA SER 90 -17.447 -0.998 -0.075 752 HB2 SER 90 2HB SER 90 -15.466 -1.142 -2.295 753 HB3 SER 90 3HB SER 90 -14.988 -0.277 -0.834 754 HG SER 90 HG SER 90 -14.941 -2.857 -1.208 755 H ILE 91 H ILE 91 -17.080 1.021 -2.963 756 HA ILE 91 HA ILE 91 -16.478 3.417 -1.584 757 HB ILE 91 HB ILE 91 -17.784 3.176 -4.294 758 HG12 ILE 91 2HG1 ILE 91 -14.838 3.222 -3.604 759 HG13 ILE 91 3HG1 ILE 91 -15.730 1.799 -4.131 760 HG21 ILE 91 1HG2 ILE 91 -17.750 5.396 -4.233 761 HG22 ILE 91 2HG2 ILE 91 -16.883 5.393 -2.698 762 HG23 ILE 91 3HG2 ILE 91 -15.988 5.314 -4.215 763 HD11 ILE 91 3HD1 ILE 91 -16.199 3.808 -6.043 764 HD12 ILE 91 1HD1 ILE 91 -14.470 3.815 -5.697 765 HD13 ILE 91 2HD1 ILE 91 -15.260 2.327 -6.221 766 H TYR 92 H TYR 92 -19.507 2.023 -2.770 767 HA TYR 92 HA TYR 92 -21.156 4.222 -2.138 768 HB2 TYR 92 2HB TYR 92 -21.834 2.401 -3.662 769 HB3 TYR 92 3HB TYR 92 -21.897 1.292 -2.297 770 HD1 TYR 92 HD2 TYR 92 -23.447 4.325 -3.751 771 HD2 TYR 92 HD1 TYR 92 -23.805 1.184 -0.903 772 HE1 TYR 92 HE2 TYR 92 -25.789 4.962 -3.350 773 HE2 TYR 92 HE1 TYR 92 -26.148 1.812 -0.496 774 HH TYR 92 HH TYR 92 -27.483 4.266 -0.848 775 H PHE 93 H PHE 93 -20.265 1.317 -0.320 776 HA PHE 93 HA PHE 93 -21.937 1.796 1.901 777 HB2 PHE 93 2HB PHE 93 -20.711 -0.365 1.263 778 HB3 PHE 93 3HB PHE 93 -19.301 0.345 2.041 779 HD1 PHE 93 HD2 PHE 93 -19.703 1.226 4.477 780 HD2 PHE 93 HD1 PHE 93 -22.142 -1.657 2.513 781 HE1 PHE 93 HE2 PHE 93 -20.500 0.418 6.660 782 HE2 PHE 93 HE1 PHE 93 -22.944 -2.468 4.693 783 HZ PHE 93 HZ PHE 93 -22.123 -1.431 6.770 784 H ARG 94 H ARG 94 -18.488 2.488 1.369 785 HA ARG 94 HA ARG 94 -18.028 3.715 3.858 786 HB2 ARG 94 2HB ARG 94 -16.585 3.313 1.383 787 HB3 ARG 94 3HB ARG 94 -16.294 4.926 2.020 788 HG2 ARG 94 2HG ARG 94 -14.684 3.916 3.200 789 HG3 ARG 94 3HG ARG 94 -16.009 3.435 4.261 790 HD2 ARG 94 2HD ARG 94 -15.503 1.697 1.929 791 HD3 ARG 94 3HD ARG 94 -14.260 1.702 3.179 792 HE ARG 94 HE ARG 94 -16.643 1.386 4.511 793 HH11 ARG 94 1HH1 ARG 94 -14.906 -0.321 2.024 794 HH12 ARG 94 2HH1 ARG 94 -15.533 -1.873 2.469 795 HH21 ARG 94 1HH2 ARG 94 -17.475 -0.652 5.108 796 HH22 ARG 94 2HH2 ARG 94 -16.995 -2.060 4.223 797 H ILE 95 H ILE 95 -19.366 4.907 0.866 798 HA ILE 95 HA ILE 95 -19.187 7.683 1.640 799 HB ILE 95 HB ILE 95 -20.493 6.280 -0.681 800 HG12 ILE 95 2HG1 ILE 95 -18.323 8.378 -0.660 801 HG13 ILE 95 3HG1 ILE 95 -17.980 6.655 -0.564 802 HG21 ILE 95 1HG2 ILE 95 -20.671 9.168 0.125 803 HG22 ILE 95 2HG2 ILE 95 -20.905 8.635 -1.539 804 HG23 ILE 95 3HG2 ILE 95 -21.981 8.055 -0.268 805 HD11 ILE 95 3HD1 ILE 95 -17.723 7.390 -2.826 806 HD12 ILE 95 1HD1 ILE 95 -19.145 6.352 -2.722 807 HD13 ILE 95 2HD1 ILE 95 -19.336 8.103 -2.823 808 H LEU 96 H LEU 96 -21.468 5.091 1.926 809 HA LEU 96 HA LEU 96 -23.666 6.872 2.599 810 HB2 LEU 96 2HB LEU 96 -23.347 4.026 1.955 811 HB3 LEU 96 3HB LEU 96 -24.556 4.371 3.191 812 HG LEU 96 HG LEU 96 -25.448 4.185 0.864 813 HD11 LEU 96 1HD1 LEU 96 -26.966 5.262 2.165 814 HD12 LEU 96 2HD1 LEU 96 -26.575 6.580 1.061 815 HD13 LEU 96 3HD1 LEU 96 -25.826 6.516 2.656 816 HD21 LEU 96 3HD2 LEU 96 -25.115 6.135 -0.619 817 HD22 LEU 96 1HD2 LEU 96 -23.640 5.204 -0.362 818 HD23 LEU 96 2HD2 LEU 96 -23.877 6.732 0.487 819 H LEU 97 H LEU 97 -21.058 5.511 4.177 820 HA LEU 97 HA LEU 97 -21.813 4.540 6.573 821 HB2 LEU 97 2HB LEU 97 -19.522 5.797 5.546 822 HB3 LEU 97 3HB LEU 97 -19.876 6.600 7.074 823 HG LEU 97 HG LEU 97 -20.059 3.796 7.494 824 HD11 LEU 97 1HD1 LEU 97 -17.787 4.668 5.777 825 HD12 LEU 97 2HD1 LEU 97 -18.694 3.156 5.768 826 HD13 LEU 97 3HD1 LEU 97 -17.502 3.461 7.031 827 HD21 LEU 97 3HD2 LEU 97 -17.886 5.696 8.352 828 HD22 LEU 97 1HD2 LEU 97 -18.415 4.223 9.165 829 HD23 LEU 97 2HD2 LEU 97 -19.481 5.627 9.103 830 HA PRO 98 HA PRO 98 -24.306 7.475 8.691 831 HB2 PRO 98 2HB PRO 98 -23.728 6.829 11.264 832 HB3 PRO 98 3HB PRO 98 -24.727 5.812 10.219 833 HG2 PRO 98 2HG PRO 98 -21.828 5.540 10.918 834 HG3 PRO 98 3HG PRO 98 -23.077 4.285 10.816 835 HD2 PRO 98 2HD PRO 98 -21.278 4.716 8.838 836 HD3 PRO 98 3HD PRO 98 -22.931 4.150 8.519 837 H TYR 99 H TYR 99 -20.919 7.203 9.679 838 HA TYR 99 HA TYR 99 -20.849 9.685 11.076 839 HB2 TYR 99 2HB TYR 99 -18.565 8.082 9.906 840 HB3 TYR 99 3HB TYR 99 -18.418 9.376 11.090 841 HD1 TYR 99 HD2 TYR 99 -20.518 8.793 13.007 842 HD2 TYR 99 HD1 TYR 99 -17.929 6.115 10.950 843 HE1 TYR 99 HE2 TYR 99 -20.770 7.160 14.828 844 HE2 TYR 99 HE1 TYR 99 -18.176 4.474 12.765 845 HH TYR 99 HH TYR 99 -18.772 4.423 15.133 846 H GLU 100 H GLU 100 -19.870 8.666 7.823 847 HA GLU 100 HA GLU 100 -18.838 11.177 7.026 848 HB2 GLU 100 2HB GLU 100 -18.203 9.192 5.822 849 HB3 GLU 100 3HB GLU 100 -19.878 8.839 5.422 850 HG2 GLU 100 2HG GLU 100 -18.367 9.865 3.621 851 HG3 GLU 100 3HG GLU 100 -19.992 10.516 3.834 852 H ARG 101 H ARG 101 -21.977 9.609 6.434 853 HA ARG 101 HA ARG 101 -23.112 11.718 4.963 854 HB2 ARG 101 2HB ARG 101 -25.228 10.628 5.316 855 HB3 ARG 101 3HB ARG 101 -24.003 9.393 5.060 856 HG2 ARG 101 2HG ARG 101 -25.079 8.477 6.832 857 HG3 ARG 101 3HG ARG 101 -23.903 9.463 7.703 858 HD2 ARG 101 2HD ARG 101 -25.586 10.485 8.729 859 HD3 ARG 101 3HD ARG 101 -26.092 11.139 7.171 860 HE ARG 101 HE ARG 101 -27.070 8.514 7.456 861 HH11 ARG 101 1HH1 ARG 101 -27.551 11.729 8.701 862 HH12 ARG 101 2HH1 ARG 101 -29.223 11.475 9.077 863 HH21 ARG 101 1HH2 ARG 101 -29.271 8.166 7.946 864 HH22 ARG 101 2HH2 ARG 101 -30.200 9.447 8.648 865 H HIS 102 H HIS 102 -22.955 11.069 8.416 866 HA HIS 102 HA HIS 102 -24.790 13.076 9.217 867 HB2 HIS 102 2HB HIS 102 -24.239 11.280 10.734 868 HB3 HIS 102 3HB HIS 102 -22.535 11.724 10.711 869 HD1 HIS 102 HD1 HIS 102 -22.152 12.418 13.077 870 HD2 HIS 102 HD2 HIS 102 -25.530 14.197 11.438 871 HE1 HIS 102 HE1 HIS 102 -22.931 14.086 14.789 872 H MET 103 H MET 103 -21.270 13.029 8.836 873 HA MET 103 HA MET 103 -20.718 15.562 9.878 874 HB2 MET 103 2HB MET 103 -19.303 13.525 8.471 875 HB3 MET 103 3HB MET 103 -18.957 15.066 7.698 876 HG2 MET 103 2HG MET 103 -17.879 15.902 9.521 877 HG3 MET 103 3HG MET 103 -18.807 14.925 10.656 878 HE1 MET 103 3HE MET 103 -16.048 13.311 11.956 879 HE2 MET 103 1HE MET 103 -15.215 14.645 11.156 880 HE3 MET 103 2HE MET 103 -16.811 14.899 11.861 881 H ILE 104 H ILE 104 -21.528 14.568 6.572 882 HA ILE 104 HA ILE 104 -21.387 17.257 5.559 883 HB ILE 104 HB ILE 104 -22.251 16.319 3.469 884 HG12 ILE 104 2HG1 ILE 104 -22.359 13.667 4.916 885 HG13 ILE 104 3HG1 ILE 104 -23.775 14.658 4.585 886 HG21 ILE 104 1HG2 ILE 104 -19.990 14.926 4.853 887 HG22 ILE 104 2HG2 ILE 104 -20.425 14.520 3.194 888 HG23 ILE 104 3HG2 ILE 104 -19.934 16.165 3.599 889 HD11 ILE 104 3HD1 ILE 104 -22.763 14.494 2.115 890 HD12 ILE 104 1HD1 ILE 104 -22.175 12.970 2.780 891 HD13 ILE 104 2HD1 ILE 104 -23.904 13.324 2.779 892 H SER 105 H SER 105 -23.810 15.215 6.950 893 HA SER 105 HA SER 105 -26.138 16.344 5.909 894 HB2 SER 105 2HB SER 105 -25.437 14.810 8.352 895 HB3 SER 105 3HB SER 105 -26.957 15.704 8.394 896 HG SER 105 HG SER 105 -26.185 13.832 6.402 897 H GLN 106 H GLN 106 -23.949 17.494 8.369 898 HA GLN 106 HA GLN 106 -25.536 19.361 9.673 899 HB2 GLN 106 2HB GLN 106 -23.119 18.651 10.167 900 HB3 GLN 106 3HB GLN 106 -22.649 19.869 8.989 901 HG2 GLN 106 2HG GLN 106 -22.620 21.297 10.685 902 HG3 GLN 106 3HG GLN 106 -24.380 21.230 10.633 903 HE21 GLN 106 1HE2 GLN 106 -21.755 19.169 11.854 904 HE22 GLN 106 2HE2 GLN 106 -22.449 18.921 13.416 905 H GLU 107 H GLU 107 -23.849 19.588 6.591 906 HA GLU 107 HA GLU 107 -25.048 22.249 6.189 907 HB2 GLU 107 2HB GLU 107 -22.408 21.597 6.012 908 HB3 GLU 107 3HB GLU 107 -22.918 21.393 4.342 909 HG2 GLU 107 2HG GLU 107 -22.253 23.589 4.374 910 HG3 GLU 107 3HG GLU 107 -23.988 23.732 4.646 911 H GLY 108 H GLY 108 -26.150 19.466 5.720 912 HA2 GLY 108 2HA GLY 108 -27.374 20.060 3.184 913 HA3 GLY 108 3HA GLY 108 -26.296 18.675 3.117 914 H ILE 109 H ILE 109 -28.503 19.741 5.687 915 HA ILE 109 HA ILE 109 -29.410 17.157 6.285 916 HB ILE 109 HB ILE 109 -31.316 18.336 7.444 917 HG12 ILE 109 2HG1 ILE 109 -30.081 20.953 7.302 918 HG13 ILE 109 3HG1 ILE 109 -30.602 20.416 5.709 919 HG21 ILE 109 1HG2 ILE 109 -29.999 18.837 9.249 920 HG22 ILE 109 2HG2 ILE 109 -28.864 17.895 8.284 921 HG23 ILE 109 3HG2 ILE 109 -28.780 19.656 8.272 922 HD11 ILE 109 3HD1 ILE 109 -32.627 21.129 6.235 923 HD12 ILE 109 1HD1 ILE 109 -32.724 19.811 7.402 924 HD13 ILE 109 2HD1 ILE 109 -32.159 21.402 7.913 925 H LYS 110 H LYS 110 -30.261 19.294 3.754 926 HA LYS 110 HA LYS 110 -32.916 18.610 3.251 927 HB2 LYS 110 2HB LYS 110 -32.441 19.267 0.904 928 HB3 LYS 110 3HB LYS 110 -31.862 20.440 2.080 929 HG2 LYS 110 2HG LYS 110 -30.017 20.365 0.791 930 HG3 LYS 110 3HG LYS 110 -29.642 18.974 1.812 931 HD2 LYS 110 2HD LYS 110 -30.875 17.585 0.051 932 HD3 LYS 110 3HD LYS 110 -30.749 19.010 -0.982 933 HE2 LYS 110 2HE LYS 110 -28.214 18.421 0.248 934 HE3 LYS 110 3HE LYS 110 -28.834 17.003 -0.595 935 HZ1 LYS 110 3HZ LYS 110 -28.336 17.919 -2.534 936 HZ2 LYS 110 1HZ LYS 110 -27.568 19.184 -1.713 937 HZ3 LYS 110 2HZ LYS 110 -29.190 19.332 -2.168 938 H GLU 111 H GLU 111 -29.942 16.908 2.524 939 HA GLU 111 HA GLU 111 -30.973 15.046 0.682 940 HB2 GLU 111 2HB GLU 111 -28.530 15.526 1.227 941 HB3 GLU 111 3HB GLU 111 -28.742 14.493 2.633 942 HG2 GLU 111 2HG GLU 111 -28.458 12.670 1.416 943 HG3 GLU 111 3HG GLU 111 -29.713 13.168 0.282 944 H THR 112 H THR 112 -31.222 15.289 4.119 945 HA THR 112 HA THR 112 -31.731 12.610 4.782 946 HB THR 112 HB THR 112 -32.790 15.120 6.095 947 HG1 THR 112 HG1 THR 112 -30.492 14.924 6.079 948 HG21 THR 112 3HG2 THR 112 -32.685 13.330 8.084 949 HG22 THR 112 1HG2 THR 112 -33.055 12.242 6.747 950 HG23 THR 112 2HG2 THR 112 -34.132 13.590 7.111 951 H GLN 113 H GLN 113 -33.918 15.221 3.795 952 HA GLN 113 HA GLN 113 -36.286 13.658 4.045 953 HB2 GLN 113 2HB GLN 113 -35.659 16.355 3.537 954 HB3 GLN 113 3HB GLN 113 -36.570 15.799 2.139 955 HG2 GLN 113 2HG GLN 113 -38.432 16.095 3.286 956 HG3 GLN 113 3HG GLN 113 -37.923 14.815 4.387 957 HE21 GLN 113 1HE2 GLN 113 -39.119 17.772 4.390 958 HE22 GLN 113 2HE2 GLN 113 -38.390 18.428 5.811 959 H ALA 114 H ALA 114 -33.863 13.977 1.624 960 HA ALA 114 HA ALA 114 -35.476 13.052 -0.568 961 HB1 ALA 114 1HB ALA 114 -33.328 12.902 -1.776 962 HB2 ALA 114 2HB ALA 114 -33.578 14.475 -1.018 963 HB3 ALA 114 3HB ALA 114 -32.485 13.304 -0.280 964 H LYS 115 H LYS 115 -33.613 11.594 1.954 965 HA LYS 115 HA LYS 115 -33.607 8.995 0.615 966 HB2 LYS 115 2HB LYS 115 -31.580 9.893 1.846 967 HB3 LYS 115 3HB LYS 115 -32.484 9.661 3.336 968 HG2 LYS 115 2HG LYS 115 -31.382 7.690 3.305 969 HG3 LYS 115 3HG LYS 115 -32.768 7.220 2.318 970 HD2 LYS 115 2HD LYS 115 -30.662 8.447 0.740 971 HD3 LYS 115 3HD LYS 115 -30.095 7.021 1.613 972 HE2 LYS 115 2HE LYS 115 -31.475 5.605 0.468 973 HE3 LYS 115 3HE LYS 115 -32.703 6.841 0.202 974 HZ1 LYS 115 3HZ LYS 115 -30.595 6.027 -1.506 975 HZ2 LYS 115 1HZ LYS 115 -30.467 7.682 -1.177 976 HZ3 LYS 115 2HZ LYS 115 -31.895 7.058 -1.834 977 H ARG 116 H ARG 116 -35.423 7.858 0.795 978 HA ARG 116 HA ARG 116 -37.434 7.113 1.619 979 HB2 ARG 116 2HB ARG 116 -37.175 5.687 3.497 980 HB3 ARG 116 3HB ARG 116 -35.630 5.674 2.657 981 HG2 ARG 116 2HG ARG 116 -34.666 7.150 4.278 982 HG3 ARG 116 3HG ARG 116 -36.232 7.386 5.057 983 HD2 ARG 116 2HD ARG 116 -34.950 4.679 4.809 984 HD3 ARG 116 3HD ARG 116 -34.614 5.757 6.163 985 HE ARG 116 HE ARG 116 -37.393 5.484 5.881 986 HH11 ARG 116 1HH1 ARG 116 -34.600 3.630 6.817 987 HH12 ARG 116 2HH1 ARG 116 -35.483 2.598 7.893 988 HH21 ARG 116 1HH2 ARG 116 -38.567 4.132 7.294 989 HH22 ARG 116 2HH2 ARG 116 -37.740 2.884 8.163 Start of MODEL 14 1 H1 GLN 1 H GLN 1 1.219 -0.521 -4.270 2 HA GLN 1 HA GLN 1 -0.993 1.368 -3.835 3 HB2 GLN 1 2HB GLN 1 0.070 -0.732 -1.992 4 HB3 GLN 1 3HB GLN 1 -0.532 0.774 -1.311 5 HG2 GLN 1 2HG GLN 1 -2.699 0.368 -1.975 6 HG3 GLN 1 3HG GLN 1 -2.210 -0.742 -3.254 7 HE21 GLN 1 1HE2 GLN 1 -3.465 -2.441 -2.648 8 HE22 GLN 1 2HE2 GLN 1 -3.245 -3.320 -1.177 9 H SER 2 H SER 2 0.021 3.260 -4.180 10 HA SER 2 HA SER 2 2.208 3.956 -2.376 11 HB2 SER 2 2HB SER 2 3.723 4.609 -4.012 12 HB3 SER 2 3HB SER 2 3.015 3.172 -4.748 13 HG SER 2 HG SER 2 2.812 4.615 -6.326 14 H LEU 3 H LEU 3 2.789 6.457 -3.427 15 HA LEU 3 HA LEU 3 0.797 8.056 -2.321 16 HB2 LEU 3 2HB LEU 3 1.948 9.939 -3.441 17 HB3 LEU 3 3HB LEU 3 3.031 8.876 -2.544 18 HG LEU 3 HG LEU 3 2.814 8.152 -5.358 19 HD11 LEU 3 1HD1 LEU 3 4.073 10.811 -4.719 20 HD12 LEU 3 2HD1 LEU 3 2.494 10.629 -5.483 21 HD13 LEU 3 3HD1 LEU 3 3.941 10.030 -6.295 22 HD21 LEU 3 3HD2 LEU 3 4.902 8.547 -3.277 23 HD22 LEU 3 1HD2 LEU 3 5.390 8.585 -4.972 24 HD23 LEU 3 2HD2 LEU 3 4.587 7.157 -4.318 25 H ASN 4 H ASN 4 -0.275 9.908 -3.594 26 HA ASN 4 HA ASN 4 -2.207 8.808 -5.303 27 HB2 ASN 4 2HB ASN 4 -2.682 11.293 -5.823 28 HB3 ASN 4 3HB ASN 4 -2.869 10.746 -4.159 29 HD21 ASN 4 1HD2 ASN 4 -1.247 12.852 -6.282 30 HD22 ASN 4 2HD2 ASN 4 -0.208 13.599 -5.122 31 HA PRO 5 HA PRO 5 -0.454 8.907 -9.324 32 HB2 PRO 5 2HB PRO 5 -2.583 9.634 -10.843 33 HB3 PRO 5 3HB PRO 5 -2.437 8.040 -10.094 34 HG2 PRO 5 2HG PRO 5 -3.989 10.429 -9.176 35 HG3 PRO 5 3HG PRO 5 -4.472 8.723 -9.200 36 HD2 PRO 5 2HD PRO 5 -3.622 9.965 -6.949 37 HD3 PRO 5 3HD PRO 5 -3.328 8.242 -7.258 38 H ALA 6 H ALA 6 -2.192 11.771 -8.257 39 HA ALA 6 HA ALA 6 -1.962 13.989 -8.728 40 HB1 ALA 6 1HB ALA 6 0.077 14.589 -8.097 41 HB2 ALA 6 2HB ALA 6 0.600 12.915 -8.286 42 HB3 ALA 6 3HB ALA 6 0.751 14.043 -9.633 43 H LEU 7 H LEU 7 -2.660 12.107 -10.936 44 HA LEU 7 HA LEU 7 -1.662 13.632 -13.242 45 HB2 LEU 7 2HB LEU 7 -2.530 10.846 -12.824 46 HB3 LEU 7 3HB LEU 7 -3.024 11.581 -14.348 47 HG LEU 7 HG LEU 7 -0.156 11.646 -13.483 48 HD11 LEU 7 1HD1 LEU 7 -0.987 9.489 -15.308 49 HD12 LEU 7 2HD1 LEU 7 -1.417 9.273 -13.612 50 HD13 LEU 7 3HD1 LEU 7 0.269 9.514 -14.069 51 HD21 LEU 7 3HD2 LEU 7 -0.857 13.045 -15.362 52 HD22 LEU 7 1HD2 LEU 7 -1.511 11.625 -16.178 53 HD23 LEU 7 2HD2 LEU 7 0.224 11.754 -15.889 54 H GLN 8 H GLN 8 -4.640 12.343 -11.807 55 HA GLN 8 HA GLN 8 -6.149 14.334 -13.371 56 HB2 GLN 8 2HB GLN 8 -7.083 11.639 -12.368 57 HB3 GLN 8 3HB GLN 8 -8.089 12.813 -13.206 58 HG2 GLN 8 2HG GLN 8 -6.998 12.490 -15.231 59 HG3 GLN 8 3HG GLN 8 -5.589 11.760 -14.464 60 HE21 GLN 8 1HE2 GLN 8 -5.513 9.811 -15.389 61 HE22 GLN 8 2HE2 GLN 8 -6.789 8.647 -15.355 62 H GLU 9 H GLU 9 -5.078 15.281 -11.123 63 HA GLU 9 HA GLU 9 -7.372 15.423 -9.285 64 HB2 GLU 9 2HB GLU 9 -4.509 15.602 -8.362 65 HB3 GLU 9 3HB GLU 9 -5.955 15.433 -7.377 66 HG2 GLU 9 2HG GLU 9 -6.285 13.179 -8.192 67 HG3 GLU 9 3HG GLU 9 -4.895 13.341 -9.264 68 H LYS 10 H LYS 10 -7.469 17.231 -11.111 69 HA LYS 10 HA LYS 10 -5.859 19.554 -10.585 70 HB2 LYS 10 2HB LYS 10 -8.250 19.043 -12.349 71 HB3 LYS 10 3HB LYS 10 -7.531 20.640 -12.183 72 HG2 LYS 10 2HG LYS 10 -5.402 19.767 -13.007 73 HG3 LYS 10 3HG LYS 10 -6.129 18.168 -13.180 74 HD2 LYS 10 2HD LYS 10 -6.890 18.716 -15.194 75 HD3 LYS 10 3HD LYS 10 -7.790 20.068 -14.502 76 HE2 LYS 10 2HE LYS 10 -5.640 21.384 -14.589 77 HE3 LYS 10 3HE LYS 10 -4.963 20.063 -15.539 78 HZ1 LYS 10 3HZ LYS 10 -5.797 21.104 -17.299 79 HZ2 LYS 10 1HZ LYS 10 -6.714 22.165 -16.352 80 HZ3 LYS 10 2HZ LYS 10 -7.335 20.646 -16.765 81 H ILE 11 H ILE 11 -6.699 19.157 -8.192 82 HA ILE 11 HA ILE 11 -9.244 20.020 -7.424 83 HB ILE 11 HB ILE 11 -7.618 18.876 -5.925 84 HG12 ILE 11 2HG1 ILE 11 -8.220 20.162 -3.898 85 HG13 ILE 11 3HG1 ILE 11 -8.719 21.509 -4.916 86 HG21 ILE 11 1HG2 ILE 11 -5.769 20.564 -6.697 87 HG22 ILE 11 2HG2 ILE 11 -6.358 21.510 -5.331 88 HG23 ILE 11 3HG2 ILE 11 -5.737 19.880 -5.072 89 HD11 ILE 11 3HD1 ILE 11 -10.536 19.985 -4.018 90 HD12 ILE 11 1HD1 ILE 11 -10.565 20.338 -5.746 91 HD13 ILE 11 2HD1 ILE 11 -9.948 18.789 -5.172 92 H SER 12 H SER 12 -10.051 21.996 -6.727 93 HA SER 12 HA SER 12 -10.329 24.255 -6.666 94 HB2 SER 12 2HB SER 12 -8.596 25.509 -5.869 95 HB3 SER 12 3HB SER 12 -7.866 23.923 -5.627 96 HG SER 12 HG SER 12 -6.386 24.505 -6.982 97 H THR 13 H THR 13 -11.148 25.376 -8.295 98 HA THR 13 HA THR 13 -9.738 25.327 -10.884 99 HB THR 13 HB THR 13 -12.247 26.039 -11.595 100 HG1 THR 13 HG1 THR 13 -13.659 24.631 -10.387 101 HG21 THR 13 3HG2 THR 13 -10.814 23.443 -11.429 102 HG22 THR 13 1HG2 THR 13 -11.401 24.322 -12.840 103 HG23 THR 13 2HG2 THR 13 -12.527 23.401 -11.843 104 H GLU 14 H GLU 14 -12.369 27.323 -9.558 105 HA GLU 14 HA GLU 14 -10.976 29.702 -10.536 106 HB2 GLU 14 2HB GLU 14 -13.444 29.169 -11.031 107 HB3 GLU 14 3HB GLU 14 -13.747 29.640 -9.365 108 HG2 GLU 14 2HG GLU 14 -13.154 31.852 -9.747 109 HG3 GLU 14 3HG GLU 14 -12.279 31.461 -11.226 110 H LEU 15 H LEU 15 -10.789 28.000 -7.849 111 HA LEU 15 HA LEU 15 -9.878 28.515 -5.810 112 HB2 LEU 15 2HB LEU 15 -9.224 30.700 -7.180 113 HB3 LEU 15 3HB LEU 15 -10.399 31.424 -6.084 114 HG LEU 15 HG LEU 15 -8.824 30.041 -4.346 115 HD11 LEU 15 1HD1 LEU 15 -6.578 30.142 -4.920 116 HD12 LEU 15 2HD1 LEU 15 -6.864 31.261 -6.252 117 HD13 LEU 15 3HD1 LEU 15 -7.344 29.571 -6.403 118 HD21 LEU 15 3HD2 LEU 15 -8.378 32.859 -5.327 119 HD22 LEU 15 1HD2 LEU 15 -7.883 32.203 -3.766 120 HD23 LEU 15 2HD2 LEU 15 -9.597 32.364 -4.151 121 H ASN 16 H ASN 16 -12.929 29.327 -6.920 122 HA ASN 16 HA ASN 16 -13.949 30.059 -4.279 123 HB2 ASN 16 2HB ASN 16 -14.870 30.405 -7.055 124 HB3 ASN 16 3HB ASN 16 -16.142 29.997 -5.908 125 HD21 ASN 16 1HD2 ASN 16 -13.967 32.394 -7.016 126 HD22 ASN 16 2HD2 ASN 16 -14.476 33.664 -5.961 127 H ASN 17 H ASN 17 -14.395 27.599 -6.796 128 HA ASN 17 HA ASN 17 -16.243 26.067 -5.228 129 HB2 ASN 17 2HB ASN 17 -14.687 25.204 -7.675 130 HB3 ASN 17 3HB ASN 17 -16.136 24.443 -7.026 131 HD21 ASN 17 1HD2 ASN 17 -15.150 26.190 -9.493 132 HD22 ASN 17 2HD2 ASN 17 -16.546 27.160 -9.801 133 H LYS 18 H LYS 18 -12.821 26.268 -5.501 134 HA LYS 18 HA LYS 18 -11.964 23.732 -4.822 135 HB2 LYS 18 2HB LYS 18 -9.933 24.717 -4.110 136 HB3 LYS 18 3HB LYS 18 -10.551 25.766 -5.380 137 HG2 LYS 18 2HG LYS 18 -10.010 27.361 -3.878 138 HG3 LYS 18 3HG LYS 18 -11.628 26.996 -3.275 139 HD2 LYS 18 2HD LYS 18 -10.835 26.165 -1.354 140 HD3 LYS 18 3HD LYS 18 -9.579 25.237 -2.178 141 HE2 LYS 18 2HE LYS 18 -9.453 28.192 -1.582 142 HE3 LYS 18 3HE LYS 18 -8.663 26.932 -0.635 143 HZ1 LYS 18 3HZ LYS 18 -6.947 27.346 -1.991 144 HZ2 LYS 18 1HZ LYS 18 -7.906 28.076 -3.178 145 HZ3 LYS 18 2HZ LYS 18 -7.784 26.391 -3.109 146 H GLN 19 H GLN 19 -13.473 26.160 -2.822 147 HA GLN 19 HA GLN 19 -12.814 24.979 -0.316 148 HB2 GLN 19 2HB GLN 19 -14.162 27.310 -1.229 149 HB3 GLN 19 3HB GLN 19 -15.249 26.460 -0.138 150 HG2 GLN 19 2HG GLN 19 -13.640 26.523 1.625 151 HG3 GLN 19 3HG GLN 19 -12.404 27.159 0.540 152 HE21 GLN 19 1HE2 GLN 19 -13.589 28.213 3.047 153 HE22 GLN 19 2HE2 GLN 19 -14.141 29.801 2.653 154 H TYR 20 H TYR 20 -15.679 24.861 -2.405 155 HA TYR 20 HA TYR 20 -17.179 23.171 -0.683 156 HB2 TYR 20 2HB TYR 20 -17.539 23.466 -3.666 157 HB3 TYR 20 3HB TYR 20 -18.752 22.998 -2.480 158 HD1 TYR 20 HD2 TYR 20 -18.553 24.964 -0.397 159 HD2 TYR 20 HD1 TYR 20 -18.142 25.490 -4.599 160 HE1 TYR 20 HE2 TYR 20 -19.236 27.315 -0.163 161 HE2 TYR 20 HE1 TYR 20 -18.822 27.843 -4.377 162 HH TYR 20 HH TYR 20 -20.047 29.269 -2.845 163 H GLU 21 H GLU 21 -15.237 22.566 -3.593 164 HA GLU 21 HA GLU 21 -15.714 19.815 -3.791 165 HB2 GLU 21 2HB GLU 21 -14.023 21.744 -5.045 166 HB3 GLU 21 3HB GLU 21 -13.046 20.344 -4.626 167 HG2 GLU 21 2HG GLU 21 -14.562 18.890 -5.836 168 HG3 GLU 21 3HG GLU 21 -15.602 20.262 -6.212 169 H LEU 22 H LEU 22 -13.157 21.592 -2.089 170 HA LEU 22 HA LEU 22 -11.842 19.262 -1.120 171 HB2 LEU 22 2HB LEU 22 -10.889 21.606 -1.376 172 HB3 LEU 22 3HB LEU 22 -11.729 21.996 0.124 173 HG LEU 22 HG LEU 22 -9.798 19.710 0.030 174 HD11 LEU 22 1HD1 LEU 22 -8.313 21.265 -0.752 175 HD12 LEU 22 2HD1 LEU 22 -8.193 21.560 0.982 176 HD13 LEU 22 3HD1 LEU 22 -9.177 22.621 -0.027 177 HD21 LEU 22 3HD2 LEU 22 -11.430 20.899 1.986 178 HD22 LEU 22 1HD2 LEU 22 -9.770 21.344 2.382 179 HD23 LEU 22 2HD2 LEU 22 -10.209 19.644 2.209 180 H PHE 23 H PHE 23 -14.431 21.291 0.070 181 HA PHE 23 HA PHE 23 -14.460 20.514 2.750 182 HB2 PHE 23 2HB PHE 23 -16.250 21.868 0.914 183 HB3 PHE 23 3HB PHE 23 -17.141 20.841 2.033 184 HD1 PHE 23 HD2 PHE 23 -15.826 21.022 4.524 185 HD2 PHE 23 HD1 PHE 23 -16.320 24.055 1.579 186 HE1 PHE 23 HE2 PHE 23 -15.618 22.745 6.268 187 HE2 PHE 23 HE1 PHE 23 -16.112 25.783 3.318 188 HZ PHE 23 HZ PHE 23 -15.762 25.129 5.667 189 H MET 24 H MET 24 -16.212 19.122 -0.018 190 HA MET 24 HA MET 24 -17.334 16.993 1.519 191 HB2 MET 24 2HB MET 24 -17.481 17.964 -1.209 192 HB3 MET 24 3HB MET 24 -17.364 16.210 -1.164 193 HG2 MET 24 2HG MET 24 -19.658 16.720 -1.160 194 HG3 MET 24 3HG MET 24 -19.259 16.235 0.486 195 HE1 MET 24 3HE MET 24 -19.004 18.394 2.593 196 HE2 MET 24 1HE MET 24 -20.721 18.797 2.528 197 HE3 MET 24 2HE MET 24 -20.192 17.142 2.225 198 H LYS 25 H LYS 25 -14.509 17.355 -0.550 199 HA LYS 25 HA LYS 25 -13.793 14.646 -0.732 200 HB2 LYS 25 2HB LYS 25 -12.734 16.152 -2.220 201 HB3 LYS 25 3HB LYS 25 -12.201 17.196 -0.909 202 HG2 LYS 25 2HG LYS 25 -10.634 15.493 -0.164 203 HG3 LYS 25 3HG LYS 25 -11.189 14.410 -1.443 204 HD2 LYS 25 2HD LYS 25 -9.428 15.282 -2.559 205 HD3 LYS 25 3HD LYS 25 -10.568 16.584 -2.906 206 HE2 LYS 25 2HE LYS 25 -8.609 17.650 -2.154 207 HE3 LYS 25 3HE LYS 25 -9.721 17.692 -0.786 208 HZ1 LYS 25 3HZ LYS 25 -8.227 15.330 -0.636 209 HZ2 LYS 25 1HZ LYS 25 -8.212 16.647 0.425 210 HZ3 LYS 25 2HZ LYS 25 -7.146 16.607 -0.887 211 H SER 26 H SER 26 -12.764 17.162 1.559 212 HA SER 26 HA SER 26 -11.023 15.551 3.061 213 HB2 SER 26 2HB SER 26 -11.105 18.041 3.166 214 HB3 SER 26 3HB SER 26 -12.627 17.921 4.048 215 HG SER 26 HG SER 26 -11.406 16.623 5.601 216 H LEU 27 H LEU 27 -14.489 16.099 3.280 217 HA LEU 27 HA LEU 27 -14.834 14.735 5.760 218 HB2 LEU 27 2HB LEU 27 -16.559 15.926 3.694 219 HB3 LEU 27 3HB LEU 27 -17.276 14.595 4.601 220 HG LEU 27 HG LEU 27 -16.703 15.869 6.701 221 HD11 LEU 27 1HD1 LEU 27 -15.917 18.012 6.662 222 HD12 LEU 27 2HD1 LEU 27 -16.531 18.329 5.041 223 HD13 LEU 27 3HD1 LEU 27 -15.077 17.355 5.257 224 HD21 LEU 27 3HD2 LEU 27 -18.505 17.613 5.133 225 HD22 LEU 27 1HD2 LEU 27 -18.755 16.828 6.692 226 HD23 LEU 27 2HD2 LEU 27 -18.916 15.899 5.201 227 H ILE 28 H ILE 28 -15.419 13.830 2.371 228 HA ILE 28 HA ILE 28 -16.301 11.209 2.894 229 HB ILE 28 HB ILE 28 -15.001 12.368 0.430 230 HG12 ILE 28 2HG1 ILE 28 -17.215 13.303 1.156 231 HG13 ILE 28 3HG1 ILE 28 -17.236 12.549 -0.435 232 HG21 ILE 28 1HG2 ILE 28 -15.665 9.628 1.100 233 HG22 ILE 28 2HG2 ILE 28 -16.516 10.185 -0.341 234 HG23 ILE 28 3HG2 ILE 28 -14.756 10.268 -0.269 235 HD11 ILE 28 3HD1 ILE 28 -19.213 12.024 0.946 236 HD12 ILE 28 1HD1 ILE 28 -18.306 10.596 0.449 237 HD13 ILE 28 2HD1 ILE 28 -18.153 11.209 2.096 238 H GLU 29 H GLU 29 -13.089 12.458 2.017 239 HA GLU 29 HA GLU 29 -11.778 9.965 2.019 240 HB2 GLU 29 2HB GLU 29 -9.745 11.185 1.930 241 HB3 GLU 29 3HB GLU 29 -10.925 12.129 1.032 242 HG2 GLU 29 2HG GLU 29 -9.911 13.761 2.263 243 HG3 GLU 29 3HG GLU 29 -11.261 13.345 3.316 244 H ASN 30 H ASN 30 -12.517 12.256 4.565 245 HA ASN 30 HA ASN 30 -10.807 11.179 6.542 246 HB2 ASN 30 2HB ASN 30 -13.144 13.021 6.510 247 HB3 ASN 30 3HB ASN 30 -12.724 12.277 8.050 248 HD21 ASN 30 1HD2 ASN 30 -12.598 15.027 7.517 249 HD22 ASN 30 2HD2 ASN 30 -10.945 15.522 7.621 250 H CYS 31 H CYS 31 -14.312 10.769 6.030 251 HA CYS 31 HA CYS 31 -14.607 8.776 8.020 252 HB2 CYS 31 2HB CYS 31 -16.311 9.690 5.717 253 HB3 CYS 31 3HB CYS 31 -16.781 8.304 6.693 254 HG CYS 31 HG CYS 31 -16.273 10.261 9.018 255 H LYS 32 H LYS 32 -14.261 8.613 4.493 256 HA LYS 32 HA LYS 32 -14.509 5.830 4.239 257 HB2 LYS 32 2HB LYS 32 -14.642 7.355 2.327 258 HB3 LYS 32 3HB LYS 32 -12.945 7.773 2.528 259 HG2 LYS 32 2HG LYS 32 -12.370 5.394 2.090 260 HG3 LYS 32 3HG LYS 32 -14.073 5.099 1.732 261 HD2 LYS 32 2HD LYS 32 -13.864 5.938 -0.324 262 HD3 LYS 32 3HD LYS 32 -13.070 7.393 0.283 263 HE2 LYS 32 2HE LYS 32 -10.951 6.467 0.096 264 HE3 LYS 32 3HE LYS 32 -11.564 4.814 0.106 265 HZ1 LYS 32 3HZ LYS 32 -12.702 5.787 -2.108 266 HZ2 LYS 32 1HZ LYS 32 -11.223 4.964 -2.091 267 HZ3 LYS 32 2HZ LYS 32 -11.250 6.655 -2.105 268 H LYS 33 H LYS 33 -11.825 7.849 5.172 269 HA LYS 33 HA LYS 33 -9.718 6.044 4.762 270 HB2 LYS 33 2HB LYS 33 -10.150 8.522 6.276 271 HB3 LYS 33 3HB LYS 33 -8.935 7.461 6.976 272 HG2 LYS 33 2HG LYS 33 -8.532 7.649 4.149 273 HG3 LYS 33 3HG LYS 33 -8.633 9.265 4.851 274 HD2 LYS 33 2HD LYS 33 -7.016 7.384 6.407 275 HD3 LYS 33 3HD LYS 33 -6.387 7.708 4.791 276 HE2 LYS 33 2HE LYS 33 -6.822 10.195 5.411 277 HE3 LYS 33 3HE LYS 33 -6.830 9.595 7.069 278 HZ1 LYS 33 3HZ LYS 33 -4.611 8.509 5.763 279 HZ2 LYS 33 1HZ LYS 33 -4.632 9.618 7.041 280 HZ3 LYS 33 2HZ LYS 33 -4.624 10.170 5.443 281 H ARG 34 H ARG 34 -12.275 6.008 7.020 282 HA ARG 34 HA ARG 34 -10.926 4.478 9.045 283 HB2 ARG 34 2HB ARG 34 -13.123 6.011 9.120 284 HB3 ARG 34 3HB ARG 34 -13.891 4.451 8.859 285 HG2 ARG 34 2HG ARG 34 -12.820 3.565 10.850 286 HG3 ARG 34 3HG ARG 34 -11.987 5.101 11.100 287 HD2 ARG 34 2HD ARG 34 -14.803 5.553 10.798 288 HD3 ARG 34 3HD ARG 34 -14.524 4.335 12.042 289 HE ARG 34 HE ARG 34 -13.947 7.128 12.211 290 HH11 ARG 34 1HH1 ARG 34 -12.958 3.976 13.310 291 HH12 ARG 34 2HH1 ARG 34 -12.246 4.567 14.775 292 HH21 ARG 34 1HH2 ARG 34 -13.013 7.918 14.136 293 HH22 ARG 34 2HH2 ARG 34 -12.278 6.809 15.244 294 H ASN 35 H ASN 35 -11.914 3.729 5.997 295 HA ASN 35 HA ASN 35 -12.156 0.882 6.683 296 HB2 ASN 35 2HB ASN 35 -14.057 2.567 5.185 297 HB3 ASN 35 3HB ASN 35 -13.660 1.035 4.413 298 HD21 ASN 35 1HD2 ASN 35 -14.725 2.443 7.470 299 HD22 ASN 35 2HD2 ASN 35 -15.682 1.091 7.963 300 H MET 36 H MET 36 -11.848 3.047 3.860 301 HA MET 36 HA MET 36 -9.594 1.383 2.956 302 HB2 MET 36 2HB MET 36 -11.555 0.872 1.589 303 HB3 MET 36 3HB MET 36 -11.770 2.580 1.231 304 HG2 MET 36 2HG MET 36 -10.045 2.634 -0.252 305 HG3 MET 36 3HG MET 36 -9.163 1.340 0.556 306 HE1 MET 36 3HE MET 36 -11.040 -1.070 0.799 307 HE2 MET 36 1HE MET 36 -10.792 -1.882 -0.747 308 HE3 MET 36 2HE MET 36 -9.424 -1.155 0.096 309 HA PRO 37 HA PRO 37 -8.356 5.849 3.310 310 HB2 PRO 37 2HB PRO 37 -6.021 5.345 4.600 311 HB3 PRO 37 3HB PRO 37 -7.561 5.544 5.444 312 HG2 PRO 37 2HG PRO 37 -6.126 3.027 4.690 313 HG3 PRO 37 3HG PRO 37 -6.951 3.433 6.206 314 HD2 PRO 37 2HD PRO 37 -8.086 1.881 4.300 315 HD3 PRO 37 3HD PRO 37 -9.035 2.957 5.346 316 H LEU 38 H LEU 38 -6.533 6.909 2.324 317 HA LEU 38 HA LEU 38 -5.285 5.262 0.235 318 HB2 LEU 38 2HB LEU 38 -6.738 7.526 -0.036 319 HB3 LEU 38 3HB LEU 38 -5.112 8.198 0.062 320 HG LEU 38 HG LEU 38 -4.956 6.099 -1.791 321 HD11 LEU 38 1HD1 LEU 38 -7.587 6.646 -1.670 322 HD12 LEU 38 2HD1 LEU 38 -6.760 6.130 -3.138 323 HD13 LEU 38 3HD1 LEU 38 -7.075 7.842 -2.860 324 HD21 LEU 38 3HD2 LEU 38 -3.602 7.856 -2.280 325 HD22 LEU 38 1HD2 LEU 38 -4.795 9.058 -1.787 326 HD23 LEU 38 2HD2 LEU 38 -4.945 8.257 -3.352 327 H GLN 39 H GLN 39 -3.217 6.867 -0.533 328 HA GLN 39 HA GLN 39 -1.272 6.306 1.484 329 HB2 GLN 39 2HB GLN 39 -1.211 6.601 -1.254 330 HB3 GLN 39 3HB GLN 39 -0.405 8.059 -0.692 331 HG2 GLN 39 2HG GLN 39 1.346 6.589 -0.934 332 HG3 GLN 39 3HG GLN 39 0.970 6.445 0.782 333 HE21 GLN 39 1HE2 GLN 39 2.239 4.414 0.308 334 HE22 GLN 39 2HE2 GLN 39 1.325 3.017 -0.136 335 H SER 40 H SER 40 -2.693 9.257 0.140 336 HA SER 40 HA SER 40 -2.160 10.680 2.586 337 HB2 SER 40 2HB SER 40 -0.364 10.944 0.315 338 HB3 SER 40 3HB SER 40 -1.101 12.487 0.744 339 HG SER 40 HG SER 40 -0.053 12.489 2.590 340 H ILE 41 H ILE 41 -2.556 11.814 -0.758 341 HA ILE 41 HA ILE 41 -5.107 13.038 0.058 342 HB ILE 41 HB ILE 41 -3.274 13.858 -2.199 343 HG12 ILE 41 2HG1 ILE 41 -2.305 14.368 -0.014 344 HG13 ILE 41 3HG1 ILE 41 -2.825 15.849 -0.811 345 HG21 ILE 41 1HG2 ILE 41 -4.911 15.959 -1.811 346 HG22 ILE 41 2HG2 ILE 41 -5.218 14.684 -2.989 347 HG23 ILE 41 3HG2 ILE 41 -6.005 14.635 -1.412 348 HD11 ILE 41 3HD1 ILE 41 -3.999 16.372 0.981 349 HD12 ILE 41 1HD1 ILE 41 -4.991 14.933 0.745 350 HD13 ILE 41 2HD1 ILE 41 -3.541 14.851 1.747 351 HA PRO 42 HA PRO 42 -6.569 9.812 -2.790 352 HB2 PRO 42 2HB PRO 42 -9.096 9.799 -1.800 353 HB3 PRO 42 3HB PRO 42 -7.765 8.915 -1.045 354 HG2 PRO 42 2HG PRO 42 -8.933 11.572 -0.309 355 HG3 PRO 42 3HG PRO 42 -8.443 10.234 0.747 356 HD2 PRO 42 2HD PRO 42 -6.896 12.421 0.354 357 HD3 PRO 42 3HD PRO 42 -6.213 10.809 0.653 358 H GLU 43 H GLU 43 -6.806 10.641 -4.784 359 HA GLU 43 HA GLU 43 -9.189 12.186 -5.366 360 HB2 GLU 43 2HB GLU 43 -6.407 13.260 -5.716 361 HB3 GLU 43 3HB GLU 43 -7.706 13.781 -6.780 362 HG2 GLU 43 2HG GLU 43 -8.954 14.256 -4.534 363 HG3 GLU 43 3HG GLU 43 -7.320 14.285 -3.872 364 H ILE 44 H ILE 44 -9.957 11.849 -7.406 365 HA ILE 44 HA ILE 44 -8.267 10.594 -9.410 366 HB ILE 44 HB ILE 44 -10.717 9.233 -8.293 367 HG12 ILE 44 2HG1 ILE 44 -8.837 7.332 -8.360 368 HG13 ILE 44 3HG1 ILE 44 -7.783 8.734 -8.216 369 HG21 ILE 44 1HG2 ILE 44 -9.671 7.553 -10.196 370 HG22 ILE 44 2HG2 ILE 44 -11.103 8.562 -10.388 371 HG23 ILE 44 3HG2 ILE 44 -9.536 9.139 -10.955 372 HD11 ILE 44 3HD1 ILE 44 -8.095 8.604 -6.030 373 HD12 ILE 44 1HD1 ILE 44 -9.750 9.148 -6.307 374 HD13 ILE 44 2HD1 ILE 44 -9.391 7.423 -6.218 375 H GLY 45 H GLY 45 -8.744 11.353 -11.373 376 HA2 GLY 45 2HA GLY 45 -10.079 12.063 -13.150 377 HA3 GLY 45 3HA GLY 45 -11.471 12.052 -12.078 378 H ASN 46 H ASN 46 -11.702 13.837 -10.566 379 HA ASN 46 HA ASN 46 -10.118 16.136 -10.578 380 HB2 ASN 46 2HB ASN 46 -11.433 15.909 -12.990 381 HB3 ASN 46 3HB ASN 46 -12.502 16.961 -12.066 382 HD21 ASN 46 1HD2 ASN 46 -11.217 18.689 -10.792 383 HD22 ASN 46 2HD2 ASN 46 -10.025 19.536 -11.712 384 H ARG 47 H ARG 47 -11.763 14.461 -8.853 385 HA ARG 47 HA ARG 47 -13.110 14.671 -7.032 386 HB2 ARG 47 2HB ARG 47 -11.954 17.295 -7.449 387 HB3 ARG 47 3HB ARG 47 -13.557 17.416 -6.737 388 HG2 ARG 47 2HG ARG 47 -11.956 17.352 -4.973 389 HG3 ARG 47 3HG ARG 47 -12.830 15.819 -4.976 390 HD2 ARG 47 2HD ARG 47 -10.246 16.106 -6.460 391 HD3 ARG 47 3HD ARG 47 -10.252 15.810 -4.722 392 HE ARG 47 HE ARG 47 -10.758 13.911 -6.765 393 HH11 ARG 47 1HH1 ARG 47 -11.743 14.834 -3.556 394 HH12 ARG 47 2HH1 ARG 47 -12.233 13.234 -3.105 395 HH21 ARG 47 1HH2 ARG 47 -11.400 11.801 -6.183 396 HH22 ARG 47 2HH2 ARG 47 -12.037 11.510 -4.600 397 H LYS 48 H LYS 48 -15.098 13.938 -7.415 398 HA LYS 48 HA LYS 48 -17.074 15.809 -8.511 399 HB2 LYS 48 2HB LYS 48 -16.510 13.012 -9.459 400 HB3 LYS 48 3HB LYS 48 -18.102 13.733 -9.660 401 HG2 LYS 48 2HG LYS 48 -17.149 15.533 -10.977 402 HG3 LYS 48 3HG LYS 48 -15.529 14.876 -10.731 403 HD2 LYS 48 2HD LYS 48 -16.714 12.702 -11.733 404 HD3 LYS 48 3HD LYS 48 -17.720 13.937 -12.494 405 HE2 LYS 48 2HE LYS 48 -15.295 14.982 -12.965 406 HE3 LYS 48 3HE LYS 48 -14.870 13.272 -12.919 407 HZ1 LYS 48 3HZ LYS 48 -16.942 13.102 -14.492 408 HZ2 LYS 48 1HZ LYS 48 -15.415 13.500 -15.102 409 HZ3 LYS 48 2HZ LYS 48 -16.558 14.716 -14.825 410 H ILE 49 H ILE 49 -16.207 14.280 -5.893 411 HA ILE 49 HA ILE 49 -18.694 12.954 -5.207 412 HB ILE 49 HB ILE 49 -16.442 13.548 -3.304 413 HG12 ILE 49 2HG1 ILE 49 -16.030 10.960 -4.111 414 HG13 ILE 49 3HG1 ILE 49 -16.486 11.740 -5.622 415 HG21 ILE 49 1HG2 ILE 49 -18.279 12.719 -2.133 416 HG22 ILE 49 2HG2 ILE 49 -18.700 11.581 -3.412 417 HG23 ILE 49 3HG2 ILE 49 -17.280 11.292 -2.407 418 HD11 ILE 49 3HD1 ILE 49 -14.501 12.701 -5.806 419 HD12 ILE 49 1HD1 ILE 49 -14.574 13.327 -4.159 420 HD13 ILE 49 2HD1 ILE 49 -13.975 11.695 -4.457 421 H ASN 50 H ASN 50 -17.818 16.085 -5.414 422 HA ASN 50 HA ASN 50 -18.801 17.108 -2.929 423 HB2 ASN 50 2HB ASN 50 -17.166 18.325 -4.354 424 HB3 ASN 50 3HB ASN 50 -18.428 18.554 -5.561 425 HD21 ASN 50 1HD2 ASN 50 -18.690 20.700 -5.504 426 HD22 ASN 50 2HD2 ASN 50 -19.155 21.599 -4.104 427 H LEU 51 H LEU 51 -20.731 18.310 -2.600 428 HA LEU 51 HA LEU 51 -23.025 17.137 -3.819 429 HB2 LEU 51 2HB LEU 51 -22.656 18.151 -1.427 430 HB3 LEU 51 3HB LEU 51 -23.181 19.641 -2.207 431 HG LEU 51 HG LEU 51 -24.959 17.375 -2.705 432 HD11 LEU 51 1HD1 LEU 51 -24.155 18.066 0.053 433 HD12 LEU 51 2HD1 LEU 51 -24.790 16.557 -0.603 434 HD13 LEU 51 3HD1 LEU 51 -25.883 17.895 -0.253 435 HD21 LEU 51 3HD2 LEU 51 -26.598 18.984 -2.554 436 HD22 LEU 51 1HD2 LEU 51 -25.215 19.947 -3.074 437 HD23 LEU 51 2HD2 LEU 51 -25.700 19.944 -1.378 438 H PHE 52 H PHE 52 -21.088 19.878 -4.513 439 HA PHE 52 HA PHE 52 -23.173 21.119 -6.145 440 HB2 PHE 52 2HB PHE 52 -21.183 22.207 -4.582 441 HB3 PHE 52 3HB PHE 52 -20.515 22.348 -6.205 442 HD1 PHE 52 HD2 PHE 52 -21.700 23.658 -7.921 443 HD2 PHE 52 HD1 PHE 52 -23.018 23.538 -3.876 444 HE1 PHE 52 HE2 PHE 52 -23.078 25.658 -8.315 445 HE2 PHE 52 HE1 PHE 52 -24.399 25.538 -4.263 446 HZ PHE 52 HZ PHE 52 -24.429 26.601 -6.484 447 H TYR 53 H TYR 53 -20.091 19.464 -6.413 448 HA TYR 53 HA TYR 53 -19.759 19.931 -9.209 449 HB2 TYR 53 2HB TYR 53 -18.012 19.225 -7.377 450 HB3 TYR 53 3HB TYR 53 -18.510 17.594 -7.815 451 HD1 TYR 53 HD1 TYR 53 -18.769 17.509 -10.615 452 HD2 TYR 53 HD2 TYR 53 -15.995 19.784 -8.329 453 HE1 TYR 53 HE1 TYR 53 -17.233 17.552 -12.535 454 HE2 TYR 53 HE2 TYR 53 -14.450 19.835 -10.243 455 HH TYR 53 HH TYR 53 -15.206 19.348 -13.230 456 H LEU 54 H LEU 54 -20.759 17.081 -7.320 457 HA LEU 54 HA LEU 54 -21.321 15.431 -9.523 458 HB2 LEU 54 2HB LEU 54 -21.104 14.890 -6.992 459 HB3 LEU 54 3HB LEU 54 -22.832 15.233 -6.948 460 HG LEU 54 HG LEU 54 -22.341 12.828 -7.111 461 HD11 LEU 54 1HD1 LEU 54 -23.538 13.509 -9.741 462 HD12 LEU 54 2HD1 LEU 54 -24.316 14.133 -8.287 463 HD13 LEU 54 3HD1 LEU 54 -24.098 12.395 -8.493 464 HD21 LEU 54 3HD2 LEU 54 -20.751 12.064 -8.454 465 HD22 LEU 54 1HD2 LEU 54 -20.467 13.700 -9.049 466 HD23 LEU 54 2HD2 LEU 54 -21.637 12.658 -9.860 467 H TYR 55 H TYR 55 -23.299 17.746 -7.752 468 HA TYR 55 HA TYR 55 -25.761 17.069 -8.988 469 HB2 TYR 55 2HB TYR 55 -24.757 19.370 -7.367 470 HB3 TYR 55 3HB TYR 55 -26.274 19.553 -8.242 471 HD1 TYR 55 HD2 TYR 55 -24.853 16.599 -6.461 472 HD2 TYR 55 HD1 TYR 55 -27.958 19.501 -6.646 473 HE1 TYR 55 HE2 TYR 55 -26.036 15.439 -4.643 474 HE2 TYR 55 HE1 TYR 55 -29.150 18.350 -4.827 475 HH TYR 55 HH TYR 55 -29.132 15.782 -3.951 476 H MET 56 H MET 56 -23.422 19.683 -9.591 477 HA MET 56 HA MET 56 -24.759 20.872 -11.738 478 HB2 MET 56 2HB MET 56 -22.828 21.860 -10.512 479 HB3 MET 56 3HB MET 56 -21.769 20.718 -11.328 480 HG2 MET 56 2HG MET 56 -22.801 21.733 -13.491 481 HG3 MET 56 3HG MET 56 -23.220 23.075 -12.429 482 HE1 MET 56 3HE MET 56 -20.421 20.911 -13.974 483 HE2 MET 56 1HE MET 56 -20.830 22.260 -15.034 484 HE3 MET 56 2HE MET 56 -19.227 22.167 -14.304 485 H LEU 57 H LEU 57 -22.502 18.167 -11.633 486 HA LEU 57 HA LEU 57 -22.129 17.907 -14.418 487 HB2 LEU 57 2HB LEU 57 -20.701 16.872 -12.671 488 HB3 LEU 57 3HB LEU 57 -22.010 15.744 -12.322 489 HG LEU 57 HG LEU 57 -20.081 14.913 -13.771 490 HD11 LEU 57 1HD1 LEU 57 -22.740 14.627 -15.117 491 HD12 LEU 57 2HD1 LEU 57 -22.458 13.956 -13.511 492 HD13 LEU 57 3HD1 LEU 57 -21.476 13.420 -14.875 493 HD21 LEU 57 3HD2 LEU 57 -20.037 15.489 -16.061 494 HD22 LEU 57 1HD2 LEU 57 -20.084 17.015 -15.178 495 HD23 LEU 57 2HD2 LEU 57 -21.547 16.393 -15.941 496 H VAL 58 H VAL 58 -24.351 16.270 -12.176 497 HA VAL 58 HA VAL 58 -25.599 14.598 -14.033 498 HB VAL 58 HB VAL 58 -26.785 15.845 -11.550 499 HG11 VAL 58 1HG1 VAL 58 -28.173 13.642 -11.716 500 HG12 VAL 58 2HG1 VAL 58 -28.648 15.058 -12.656 501 HG13 VAL 58 3HG1 VAL 58 -27.764 13.741 -13.429 502 HG21 VAL 58 3HG2 VAL 58 -24.683 14.038 -11.799 503 HG22 VAL 58 1HG2 VAL 58 -25.619 14.380 -10.344 504 HG23 VAL 58 2HG2 VAL 58 -26.084 13.045 -11.397 505 H GLN 59 H GLN 59 -26.552 17.839 -12.911 506 HA GLN 59 HA GLN 59 -28.866 18.093 -14.451 507 HB2 GLN 59 2HB GLN 59 -28.239 19.611 -12.600 508 HB3 GLN 59 3HB GLN 59 -26.966 20.287 -13.606 509 HG2 GLN 59 2HG GLN 59 -28.892 20.796 -15.263 510 HG3 GLN 59 3HG GLN 59 -29.925 20.583 -13.850 511 HE21 GLN 59 1HE2 GLN 59 -30.211 22.259 -12.547 512 HE22 GLN 59 2HE2 GLN 59 -29.287 23.719 -12.568 513 H LYS 60 H LYS 60 -25.496 18.646 -15.253 514 HA LYS 60 HA LYS 60 -25.985 19.939 -17.745 515 HB2 LYS 60 2HB LYS 60 -23.655 18.936 -16.258 516 HB3 LYS 60 3HB LYS 60 -23.485 18.854 -18.006 517 HG2 LYS 60 2HG LYS 60 -24.510 21.379 -17.580 518 HG3 LYS 60 3HG LYS 60 -23.394 21.146 -16.232 519 HD2 LYS 60 2HD LYS 60 -21.610 20.573 -17.786 520 HD3 LYS 60 3HD LYS 60 -22.722 20.735 -19.147 521 HE2 LYS 60 2HE LYS 60 -23.037 23.137 -17.933 522 HE3 LYS 60 3HE LYS 60 -21.348 22.798 -17.560 523 HZ1 LYS 60 3HZ LYS 60 -22.198 23.917 -19.840 524 HZ2 LYS 60 1HZ LYS 60 -22.111 22.292 -20.302 525 HZ3 LYS 60 2HZ LYS 60 -20.742 23.070 -19.685 526 H PHE 61 H PHE 61 -25.532 16.604 -16.740 527 HA PHE 61 HA PHE 61 -25.344 15.569 -19.405 528 HB2 PHE 61 2HB PHE 61 -25.467 14.432 -16.663 529 HB3 PHE 61 3HB PHE 61 -25.981 13.387 -17.983 530 HD1 PHE 61 HD2 PHE 61 -23.264 15.926 -17.774 531 HD2 PHE 61 HD1 PHE 61 -24.313 11.839 -18.331 532 HE1 PHE 61 HE2 PHE 61 -20.912 15.393 -18.261 533 HE2 PHE 61 HE1 PHE 61 -21.962 11.299 -18.817 534 HZ PHE 61 HZ PHE 61 -20.259 13.077 -18.784 535 H GLY 62 H GLY 62 -27.881 16.778 -17.597 536 HA2 GLY 62 2HA GLY 62 -30.061 17.009 -18.531 537 HA3 GLY 62 3HA GLY 62 -29.812 15.507 -19.409 538 H GLY 63 H GLY 63 -28.909 15.622 -16.076 539 HA2 GLY 63 2HA GLY 63 -30.182 15.018 -14.172 540 HA3 GLY 63 3HA GLY 63 -31.462 14.458 -15.237 541 H ALA 64 H ALA 64 -30.413 13.018 -13.022 542 HA ALA 64 HA ALA 64 -28.483 11.121 -13.583 543 HB1 ALA 64 1HB ALA 64 -30.722 9.999 -12.105 544 HB2 ALA 64 2HB ALA 64 -29.058 10.287 -11.595 545 HB3 ALA 64 3HB ALA 64 -30.242 11.591 -11.516 546 H ASP 65 H ASP 65 -31.851 11.224 -14.567 547 HA ASP 65 HA ASP 65 -32.082 8.573 -15.484 548 HB2 ASP 65 2HB ASP 65 -33.979 10.182 -15.106 549 HB3 ASP 65 3HB ASP 65 -33.515 10.988 -16.602 550 H GLN 66 H GLN 66 -30.899 11.512 -17.016 551 HA GLN 66 HA GLN 66 -30.697 10.434 -19.636 552 HB2 GLN 66 2HB GLN 66 -30.609 12.925 -18.726 553 HB3 GLN 66 3HB GLN 66 -28.877 12.619 -18.740 554 HG2 GLN 66 2HG GLN 66 -28.762 12.853 -20.941 555 HG3 GLN 66 3HG GLN 66 -30.127 11.769 -21.202 556 HE21 GLN 66 1HE2 GLN 66 -29.200 14.545 -22.191 557 HE22 GLN 66 2HE2 GLN 66 -30.651 15.481 -22.132 558 H VAL 67 H VAL 67 -28.502 10.616 -16.891 559 HA VAL 67 HA VAL 67 -26.176 9.750 -18.256 560 HB VAL 67 HB VAL 67 -26.785 9.370 -15.323 561 HG11 VAL 67 1HG1 VAL 67 -24.161 9.893 -15.449 562 HG12 VAL 67 2HG1 VAL 67 -24.823 8.260 -15.545 563 HG13 VAL 67 3HG1 VAL 67 -24.377 9.121 -17.019 564 HG21 VAL 67 3HG2 VAL 67 -26.492 11.794 -16.838 565 HG22 VAL 67 1HG2 VAL 67 -26.838 11.582 -15.122 566 HG23 VAL 67 2HG2 VAL 67 -25.168 11.632 -15.685 567 H THR 68 H THR 68 -28.817 8.065 -16.679 568 HA THR 68 HA THR 68 -27.518 5.483 -16.938 569 HB THR 68 HB THR 68 -28.912 5.904 -14.967 570 HG1 THR 68 HG1 THR 68 -30.307 3.997 -15.279 571 HG21 THR 68 3HG2 THR 68 -30.539 7.422 -16.021 572 HG22 THR 68 1HG2 THR 68 -31.332 6.107 -15.156 573 HG23 THR 68 2HG2 THR 68 -31.216 6.061 -16.915 574 H ARG 69 H ARG 69 -29.864 7.422 -18.622 575 HA ARG 69 HA ARG 69 -31.210 5.499 -20.106 576 HB2 ARG 69 2HB ARG 69 -31.795 7.902 -20.057 577 HB3 ARG 69 3HB ARG 69 -30.370 8.254 -21.025 578 HG2 ARG 69 2HG ARG 69 -32.337 8.234 -22.419 579 HG3 ARG 69 3HG ARG 69 -31.285 6.883 -22.844 580 HD2 ARG 69 2HD ARG 69 -32.847 5.379 -22.317 581 HD3 ARG 69 3HD ARG 69 -33.202 6.176 -20.785 582 HE ARG 69 HE ARG 69 -34.348 7.730 -22.766 583 HH11 ARG 69 1HH1 ARG 69 -34.657 4.483 -21.551 584 HH12 ARG 69 2HH1 ARG 69 -36.334 4.348 -21.966 585 HH21 ARG 69 1HH2 ARG 69 -36.555 7.565 -23.318 586 HH22 ARG 69 2HH2 ARG 69 -37.412 6.101 -22.972 587 H THR 70 H THR 70 -28.074 7.014 -20.683 588 HA THR 70 HA THR 70 -27.691 5.298 -23.037 589 HB THR 70 HB THR 70 -25.497 6.849 -23.080 590 HG1 THR 70 HG1 THR 70 -27.453 8.660 -22.131 591 HG21 THR 70 3HG2 THR 70 -26.656 8.263 -24.690 592 HG22 THR 70 1HG2 THR 70 -28.215 7.723 -24.069 593 HG23 THR 70 2HG2 THR 70 -27.147 6.581 -24.887 594 H GLN 71 H GLN 71 -27.256 4.991 -19.884 595 HA GLN 71 HA GLN 71 -25.881 3.792 -18.524 596 HB2 GLN 71 2HB GLN 71 -25.155 2.545 -21.177 597 HB3 GLN 71 3HB GLN 71 -24.617 1.919 -19.623 598 HG2 GLN 71 2HG GLN 71 -26.763 1.272 -19.001 599 HG3 GLN 71 3HG GLN 71 -27.526 2.313 -20.202 600 HE21 GLN 71 1HE2 GLN 71 -26.376 -0.785 -19.502 601 HE22 GLN 71 2HE2 GLN 71 -26.577 -1.483 -21.069 602 H GLN 72 H GLN 72 -24.912 6.261 -18.955 603 HA GLN 72 HA GLN 72 -22.101 6.018 -19.707 604 HB2 GLN 72 2HB GLN 72 -24.014 8.266 -19.373 605 HB3 GLN 72 3HB GLN 72 -22.322 8.601 -19.034 606 HG2 GLN 72 2HG GLN 72 -21.673 8.019 -21.237 607 HG3 GLN 72 3HG GLN 72 -23.263 7.345 -21.595 608 HE21 GLN 72 1HE2 GLN 72 -21.295 10.024 -21.855 609 HE22 GLN 72 2HE2 GLN 72 -22.490 11.192 -22.293 610 H TRP 73 H TRP 73 -23.935 5.623 -16.987 611 HA TRP 73 HA TRP 73 -22.648 6.957 -14.943 612 HB2 TRP 73 2HB TRP 73 -23.310 4.980 -13.512 613 HB3 TRP 73 3HB TRP 73 -24.616 5.706 -14.445 614 HD1 TRP 73 HD1 TRP 73 -25.693 4.250 -16.394 615 HE1 TRP 73 HE1 TRP 73 -25.591 1.736 -16.940 616 HE3 TRP 73 HE3 TRP 73 -21.739 2.936 -13.432 617 HZ2 TRP 73 HZ2 TRP 73 -24.040 -0.506 -16.211 618 HZ3 TRP 73 HZ3 TRP 73 -21.009 0.586 -13.413 619 HH2 TRP 73 HH2 TRP 73 -22.137 -1.098 -14.774 620 H SER 74 H SER 74 -21.714 3.950 -16.549 621 HA SER 74 HA SER 74 -19.546 3.327 -14.848 622 HB2 SER 74 2HB SER 74 -18.769 1.992 -16.928 623 HB3 SER 74 3HB SER 74 -20.299 1.543 -16.174 624 HG SER 74 HG SER 74 -20.497 1.714 -18.441 625 H MET 75 H MET 75 -19.828 5.297 -17.748 626 HA MET 75 HA MET 75 -17.035 5.684 -18.123 627 HB2 MET 75 2HB MET 75 -19.347 6.288 -19.547 628 HB3 MET 75 3HB MET 75 -18.695 7.861 -19.109 629 HG2 MET 75 2HG MET 75 -17.581 7.567 -21.048 630 HG3 MET 75 3HG MET 75 -16.452 6.741 -19.976 631 HE1 MET 75 3HE MET 75 -17.333 6.842 -23.062 632 HE2 MET 75 1HE MET 75 -17.385 5.208 -23.725 633 HE3 MET 75 2HE MET 75 -18.878 6.006 -23.228 634 H VAL 76 H VAL 76 -19.586 7.668 -16.642 635 HA VAL 76 HA VAL 76 -17.859 9.790 -15.887 636 HB VAL 76 HB VAL 76 -20.501 9.053 -14.622 637 HG11 VAL 76 1HG1 VAL 76 -18.615 11.078 -14.050 638 HG12 VAL 76 2HG1 VAL 76 -20.007 11.855 -14.807 639 HG13 VAL 76 3HG1 VAL 76 -20.226 10.861 -13.366 640 HG21 VAL 76 3HG2 VAL 76 -21.270 9.345 -16.726 641 HG22 VAL 76 1HG2 VAL 76 -21.103 11.054 -16.323 642 HG23 VAL 76 2HG2 VAL 76 -19.839 10.237 -17.242 643 H ALA 77 H ALA 77 -19.324 7.142 -14.005 644 HA ALA 77 HA ALA 77 -18.151 7.714 -11.550 645 HB1 ALA 77 1HB ALA 77 -19.922 6.120 -11.676 646 HB2 ALA 77 2HB ALA 77 -18.977 5.071 -12.734 647 HB3 ALA 77 3HB ALA 77 -18.496 5.290 -11.051 648 H GLN 78 H GLN 78 -16.882 5.930 -14.309 649 HA GLN 78 HA GLN 78 -14.622 4.818 -13.084 650 HB2 GLN 78 2HB GLN 78 -15.286 4.043 -15.249 651 HB3 GLN 78 3HB GLN 78 -15.132 5.653 -15.938 652 HG2 GLN 78 2HG GLN 78 -12.716 4.447 -14.720 653 HG3 GLN 78 3HG GLN 78 -13.281 3.788 -16.254 654 HE21 GLN 78 1HE2 GLN 78 -10.974 4.730 -16.599 655 HE22 GLN 78 2HE2 GLN 78 -10.936 6.327 -17.257 656 H ARG 79 H ARG 79 -15.228 8.016 -14.373 657 HA ARG 79 HA ARG 79 -12.605 8.960 -14.548 658 HB2 ARG 79 2HB ARG 79 -15.178 10.027 -14.848 659 HB3 ARG 79 3HB ARG 79 -14.418 11.007 -13.601 660 HG2 ARG 79 2HG ARG 79 -12.739 10.481 -15.949 661 HG3 ARG 79 3HG ARG 79 -14.184 11.445 -16.259 662 HD2 ARG 79 2HD ARG 79 -13.415 13.212 -15.089 663 HD3 ARG 79 3HD ARG 79 -12.662 12.198 -13.858 664 HE ARG 79 HE ARG 79 -10.691 12.387 -14.987 665 HH11 ARG 79 1HH1 ARG 79 -13.297 13.159 -17.162 666 HH12 ARG 79 2HH1 ARG 79 -12.249 13.638 -18.456 667 HH21 ARG 79 1HH2 ARG 79 -9.301 13.015 -16.683 668 HH22 ARG 79 2HH2 ARG 79 -9.976 13.555 -18.183 669 H LEU 80 H LEU 80 -14.846 8.892 -11.810 670 HA LEU 80 HA LEU 80 -12.762 9.972 -10.063 671 HB2 LEU 80 2HB LEU 80 -15.611 10.124 -10.134 672 HB3 LEU 80 3HB LEU 80 -15.118 9.386 -8.612 673 HG LEU 80 HG LEU 80 -15.424 11.804 -8.402 674 HD11 LEU 80 1HD1 LEU 80 -13.061 12.315 -7.568 675 HD12 LEU 80 2HD1 LEU 80 -12.664 10.675 -8.079 676 HD13 LEU 80 3HD1 LEU 80 -13.904 10.940 -6.853 677 HD21 LEU 80 3HD2 LEU 80 -13.348 11.886 -10.573 678 HD22 LEU 80 1HD2 LEU 80 -13.649 13.254 -9.502 679 HD23 LEU 80 2HD2 LEU 80 -14.939 12.648 -10.542 680 H GLN 81 H GLN 81 -13.479 7.057 -11.218 681 HA GLN 81 HA GLN 81 -12.968 4.932 -10.586 682 HB2 GLN 81 2HB GLN 81 -10.970 6.167 -9.571 683 HB3 GLN 81 3HB GLN 81 -11.822 6.056 -8.036 684 HG2 GLN 81 2HG GLN 81 -11.910 3.477 -8.958 685 HG3 GLN 81 3HG GLN 81 -10.329 4.034 -9.503 686 HE21 GLN 81 1HE2 GLN 81 -12.308 4.558 -6.602 687 HE22 GLN 81 2HE2 GLN 81 -11.070 4.136 -5.474 688 H ILE 82 H ILE 82 -15.456 6.322 -9.746 689 HA ILE 82 HA ILE 82 -16.180 5.323 -7.170 690 HB ILE 82 HB ILE 82 -17.942 6.300 -9.420 691 HG12 ILE 82 2HG1 ILE 82 -17.551 7.939 -7.002 692 HG13 ILE 82 3HG1 ILE 82 -16.117 7.754 -8.006 693 HG21 ILE 82 1HG2 ILE 82 -19.553 5.354 -8.175 694 HG22 ILE 82 2HG2 ILE 82 -18.519 5.226 -6.753 695 HG23 ILE 82 3HG2 ILE 82 -19.320 6.752 -7.126 696 HD11 ILE 82 3HD1 ILE 82 -17.397 9.758 -8.566 697 HD12 ILE 82 1HD1 ILE 82 -17.313 8.629 -9.918 698 HD13 ILE 82 2HD1 ILE 82 -18.790 8.751 -8.961 699 H SER 83 H SER 83 -16.902 4.319 -10.500 700 HA SER 83 HA SER 83 -17.848 1.741 -9.430 701 HB2 SER 83 2HB SER 83 -18.537 2.903 -12.134 702 HB3 SER 83 3HB SER 83 -19.285 1.521 -11.334 703 HG SER 83 HG SER 83 -20.481 3.537 -11.198 704 H ASP 84 H ASP 84 -15.663 0.973 -9.363 705 HA ASP 84 HA ASP 84 -14.403 0.546 -11.980 706 HB2 ASP 84 2HB ASP 84 -13.397 0.776 -9.201 707 HB3 ASP 84 3HB ASP 84 -12.561 -0.375 -10.240 708 H TYR 85 H TYR 85 -16.434 -1.013 -12.017 709 HA TYR 85 HA TYR 85 -17.050 -3.183 -12.356 710 HB2 TYR 85 2HB TYR 85 -14.383 -3.319 -12.669 711 HB3 TYR 85 3HB TYR 85 -14.551 -4.332 -11.240 712 HD1 TYR 85 HD1 TYR 85 -16.676 -3.932 -14.289 713 HD2 TYR 85 HD2 TYR 85 -14.345 -6.545 -11.872 714 HE1 TYR 85 HE1 TYR 85 -17.330 -5.825 -15.716 715 HE2 TYR 85 HE2 TYR 85 -14.992 -8.445 -13.292 716 HH TYR 85 HH TYR 85 -17.006 -7.984 -16.173 717 H GLN 86 H GLN 86 -15.929 -5.376 -10.607 718 HA GLN 86 HA GLN 86 -17.921 -5.534 -8.718 719 HB2 GLN 86 2HB GLN 86 -16.421 -7.161 -7.529 720 HB3 GLN 86 3HB GLN 86 -16.647 -7.482 -9.243 721 HG2 GLN 86 2HG GLN 86 -14.484 -6.471 -9.728 722 HG3 GLN 86 3HG GLN 86 -14.258 -6.126 -8.014 723 HE21 GLN 86 1HE2 GLN 86 -12.689 -7.773 -9.881 724 HE22 GLN 86 2HE2 GLN 86 -12.605 -9.341 -9.159 725 H GLN 87 H GLN 87 -14.832 -3.903 -8.503 726 HA GLN 87 HA GLN 87 -14.650 -3.514 -5.758 727 HB2 GLN 87 2HB GLN 87 -13.762 -1.789 -8.066 728 HB3 GLN 87 3HB GLN 87 -13.385 -1.401 -6.393 729 HG2 GLN 87 2HG GLN 87 -12.405 -3.785 -6.301 730 HG3 GLN 87 3HG GLN 87 -12.423 -3.686 -8.061 731 HE21 GLN 87 1HE2 GLN 87 -10.130 -3.930 -6.380 732 HE22 GLN 87 2HE2 GLN 87 -9.156 -2.526 -6.632 733 H LEU 88 H LEU 88 -16.784 -2.085 -8.068 734 HA LEU 88 HA LEU 88 -17.470 0.313 -6.878 735 HB2 LEU 88 2HB LEU 88 -18.385 -0.121 -8.983 736 HB3 LEU 88 3HB LEU 88 -19.042 -1.676 -8.476 737 HG LEU 88 HG LEU 88 -20.133 0.765 -7.182 738 HD11 LEU 88 1HD1 LEU 88 -20.194 0.277 -10.063 739 HD12 LEU 88 2HD1 LEU 88 -20.563 1.739 -9.148 740 HD13 LEU 88 3HD1 LEU 88 -21.786 0.482 -9.333 741 HD21 LEU 88 3HD2 LEU 88 -21.002 -1.992 -7.870 742 HD22 LEU 88 1HD2 LEU 88 -22.233 -0.734 -7.762 743 HD23 LEU 88 2HD2 LEU 88 -21.203 -1.080 -6.373 744 H GLU 89 H GLU 89 -18.179 -2.921 -5.861 745 HA GLU 89 HA GLU 89 -20.383 -2.351 -4.175 746 HB2 GLU 89 2HB GLU 89 -19.021 -4.634 -4.985 747 HB3 GLU 89 3HB GLU 89 -18.715 -4.553 -3.256 748 HG2 GLU 89 2HG GLU 89 -21.132 -4.406 -2.851 749 HG3 GLU 89 3HG GLU 89 -21.415 -4.549 -4.585 750 H SER 90 H SER 90 -16.900 -2.655 -3.545 751 HA SER 90 HA SER 90 -17.082 -2.132 -0.766 752 HB2 SER 90 2HB SER 90 -14.529 -1.326 -1.603 753 HB3 SER 90 3HB SER 90 -14.985 -2.903 -0.961 754 HG SER 90 HG SER 90 -14.580 -3.669 -2.862 755 H ILE 91 H ILE 91 -16.499 -0.082 -3.582 756 HA ILE 91 HA ILE 91 -15.923 2.288 -2.150 757 HB ILE 91 HB ILE 91 -17.050 1.984 -4.936 758 HG12 ILE 91 2HG1 ILE 91 -14.230 2.738 -4.548 759 HG13 ILE 91 3HG1 ILE 91 -14.628 1.104 -4.027 760 HG21 ILE 91 1HG2 ILE 91 -17.402 4.197 -4.651 761 HG22 ILE 91 2HG2 ILE 91 -16.241 4.321 -3.330 762 HG23 ILE 91 3HG2 ILE 91 -15.676 4.290 -5.000 763 HD11 ILE 91 3HD1 ILE 91 -13.844 1.115 -6.314 764 HD12 ILE 91 1HD1 ILE 91 -15.537 0.629 -6.245 765 HD13 ILE 91 2HD1 ILE 91 -15.108 2.260 -6.762 766 H TYR 92 H TYR 92 -18.923 0.961 -3.481 767 HA TYR 92 HA TYR 92 -20.550 3.186 -2.844 768 HB2 TYR 92 2HB TYR 92 -21.006 0.369 -3.670 769 HB3 TYR 92 3HB TYR 92 -22.349 1.198 -2.890 770 HD1 TYR 92 HD1 TYR 92 -19.797 2.656 -5.163 771 HD2 TYR 92 HD2 TYR 92 -23.858 1.492 -4.662 772 HE1 TYR 92 HE1 TYR 92 -20.363 3.735 -7.299 773 HE2 TYR 92 HE2 TYR 92 -24.436 2.567 -6.797 774 HH TYR 92 HH TYR 92 -22.012 4.348 -8.672 775 H PHE 93 H PHE 93 -19.699 0.243 -1.101 776 HA PHE 93 HA PHE 93 -21.516 0.570 1.036 777 HB2 PHE 93 2HB PHE 93 -20.129 -1.509 0.358 778 HB3 PHE 93 3HB PHE 93 -18.849 -0.787 1.328 779 HD1 PHE 93 HD2 PHE 93 -22.438 -1.755 1.537 780 HD2 PHE 93 HD1 PHE 93 -18.736 -1.262 3.579 781 HE1 PHE 93 HE2 PHE 93 -23.430 -2.733 3.565 782 HE2 PHE 93 HE1 PHE 93 -19.722 -2.240 5.610 783 HZ PHE 93 HZ PHE 93 -22.072 -2.976 5.605 784 H ARG 94 H ARG 94 -18.060 1.372 0.749 785 HA ARG 94 HA ARG 94 -17.816 2.538 3.302 786 HB2 ARG 94 2HB ARG 94 -16.208 2.499 0.808 787 HB3 ARG 94 3HB ARG 94 -15.871 3.798 1.944 788 HG2 ARG 94 2HG ARG 94 -14.571 2.402 3.062 789 HG3 ARG 94 3HG ARG 94 -16.007 1.467 3.484 790 HD2 ARG 94 2HD ARG 94 -14.857 1.005 0.798 791 HD3 ARG 94 3HD ARG 94 -13.911 0.434 2.172 792 HE ARG 94 HE ARG 94 -16.682 -0.341 2.251 793 HH11 ARG 94 1HH1 ARG 94 -13.498 -1.163 1.109 794 HH12 ARG 94 2HH1 ARG 94 -13.841 -2.855 0.972 795 HH21 ARG 94 1HH2 ARG 94 -17.147 -2.567 2.074 796 HH22 ARG 94 2HH2 ARG 94 -15.918 -3.653 1.520 797 H ILE 95 H ILE 95 -18.806 3.820 0.192 798 HA ILE 95 HA ILE 95 -18.771 6.563 1.050 799 HB ILE 95 HB ILE 95 -19.887 5.203 -1.395 800 HG12 ILE 95 2HG1 ILE 95 -17.671 7.239 -1.096 801 HG13 ILE 95 3HG1 ILE 95 -17.406 5.499 -1.141 802 HG21 ILE 95 1HG2 ILE 95 -21.387 6.973 -1.122 803 HG22 ILE 95 2HG2 ILE 95 -20.137 8.059 -0.517 804 HG23 ILE 95 3HG2 ILE 95 -20.167 7.612 -2.223 805 HD11 ILE 95 3HD1 ILE 95 -18.461 5.464 -3.389 806 HD12 ILE 95 1HD1 ILE 95 -18.521 7.226 -3.334 807 HD13 ILE 95 2HD1 ILE 95 -16.965 6.395 -3.304 808 H LEU 96 H LEU 96 -21.044 3.948 1.094 809 HA LEU 96 HA LEU 96 -23.301 5.705 1.633 810 HB2 LEU 96 2HB LEU 96 -22.973 2.760 1.218 811 HB3 LEU 96 3HB LEU 96 -24.447 3.399 1.942 812 HG LEU 96 HG LEU 96 -23.490 4.444 -0.695 813 HD11 LEU 96 1HD1 LEU 96 -23.652 2.397 -1.570 814 HD12 LEU 96 2HD1 LEU 96 -25.391 2.580 -1.340 815 HD13 LEU 96 3HD1 LEU 96 -24.424 1.741 -0.126 816 HD21 LEU 96 3HD2 LEU 96 -25.653 5.197 -0.952 817 HD22 LEU 96 1HD2 LEU 96 -25.422 5.372 0.788 818 HD23 LEU 96 2HD2 LEU 96 -26.318 3.992 0.152 819 H LEU 97 H LEU 97 -20.828 4.288 3.371 820 HA LEU 97 HA LEU 97 -21.844 3.261 5.673 821 HB2 LEU 97 2HB LEU 97 -19.494 5.023 5.138 822 HB3 LEU 97 3HB LEU 97 -19.897 4.597 6.800 823 HG LEU 97 HG LEU 97 -19.315 2.599 4.616 824 HD11 LEU 97 1HD1 LEU 97 -17.523 3.442 6.882 825 HD12 LEU 97 2HD1 LEU 97 -17.372 4.044 5.232 826 HD13 LEU 97 3HD1 LEU 97 -17.148 2.328 5.568 827 HD21 LEU 97 3HD2 LEU 97 -20.750 1.733 6.380 828 HD22 LEU 97 1HD2 LEU 97 -19.610 2.295 7.602 829 HD23 LEU 97 2HD2 LEU 97 -19.140 1.018 6.480 830 HA PRO 98 HA PRO 98 -24.172 6.291 7.830 831 HB2 PRO 98 2HB PRO 98 -23.482 5.811 10.411 832 HB3 PRO 98 3HB PRO 98 -24.507 4.720 9.472 833 HG2 PRO 98 2HG PRO 98 -21.580 4.526 10.067 834 HG3 PRO 98 3HG PRO 98 -22.813 3.252 10.092 835 HD2 PRO 98 2HD PRO 98 -21.102 3.583 8.020 836 HD3 PRO 98 3HD PRO 98 -22.757 2.979 7.804 837 H TYR 99 H TYR 99 -20.764 6.104 8.805 838 HA TYR 99 HA TYR 99 -20.679 8.678 9.997 839 HB2 TYR 99 2HB TYR 99 -18.647 6.663 9.140 840 HB3 TYR 99 3HB TYR 99 -18.110 8.301 9.495 841 HD1 TYR 99 HD2 TYR 99 -20.639 6.067 11.106 842 HD2 TYR 99 HD1 TYR 99 -17.064 8.330 11.552 843 HE1 TYR 99 HE2 TYR 99 -20.606 5.530 13.506 844 HE2 TYR 99 HE1 TYR 99 -17.020 7.799 13.953 845 HH TYR 99 HH TYR 99 -18.642 5.391 15.332 846 H GLU 100 H GLU 100 -19.755 7.453 6.799 847 HA GLU 100 HA GLU 100 -18.759 9.899 5.803 848 HB2 GLU 100 2HB GLU 100 -18.172 7.850 4.699 849 HB3 GLU 100 3HB GLU 100 -19.861 7.465 4.400 850 HG2 GLU 100 2HG GLU 100 -19.823 8.549 2.476 851 HG3 GLU 100 3HG GLU 100 -19.244 10.016 3.263 852 H ARG 101 H ARG 101 -21.935 8.336 5.468 853 HA ARG 101 HA ARG 101 -23.104 10.363 3.896 854 HB2 ARG 101 2HB ARG 101 -25.187 9.286 4.307 855 HB3 ARG 101 3HB ARG 101 -23.972 8.018 4.211 856 HG2 ARG 101 2HG ARG 101 -23.911 7.886 6.649 857 HG3 ARG 101 3HG ARG 101 -25.128 9.161 6.746 858 HD2 ARG 101 2HD ARG 101 -26.402 7.470 5.111 859 HD3 ARG 101 3HD ARG 101 -25.407 6.312 5.993 860 HE ARG 101 HE ARG 101 -26.618 7.991 7.860 861 HH11 ARG 101 1HH1 ARG 101 -27.527 5.589 5.510 862 HH12 ARG 101 2HH1 ARG 101 -28.936 5.082 6.381 863 HH21 ARG 101 1HH2 ARG 101 -28.471 7.333 9.015 864 HH22 ARG 101 2HH2 ARG 101 -29.473 6.075 8.374 865 H HIS 102 H HIS 102 -22.754 9.942 7.358 866 HA HIS 102 HA HIS 102 -24.586 11.959 8.142 867 HB2 HIS 102 2HB HIS 102 -22.405 10.423 9.470 868 HB3 HIS 102 3HB HIS 102 -22.965 11.897 10.254 869 HD1 HIS 102 HD1 HIS 102 -23.378 8.908 11.300 870 HD2 HIS 102 HD2 HIS 102 -26.211 11.287 9.408 871 HE1 HIS 102 HE1 HIS 102 -25.609 7.991 12.011 872 H MET 103 H MET 103 -21.067 11.954 7.666 873 HA MET 103 HA MET 103 -20.576 14.592 8.449 874 HB2 MET 103 2HB MET 103 -19.161 12.535 6.880 875 HB3 MET 103 3HB MET 103 -18.689 14.192 6.529 876 HG2 MET 103 2HG MET 103 -18.725 12.975 9.280 877 HG3 MET 103 3HG MET 103 -17.299 13.094 8.251 878 HE1 MET 103 3HE MET 103 -17.658 13.883 11.078 879 HE2 MET 103 1HE MET 103 -17.177 15.557 11.354 880 HE3 MET 103 2HE MET 103 -18.887 15.128 11.305 881 H ILE 104 H ILE 104 -21.380 13.254 5.265 882 HA ILE 104 HA ILE 104 -21.303 15.819 3.974 883 HB ILE 104 HB ILE 104 -22.101 14.689 2.001 884 HG12 ILE 104 2HG1 ILE 104 -22.575 12.305 3.804 885 HG13 ILE 104 3HG1 ILE 104 -23.823 13.293 3.052 886 HG21 ILE 104 1HG2 ILE 104 -20.409 12.492 2.713 887 HG22 ILE 104 2HG2 ILE 104 -20.063 13.876 1.677 888 HG23 ILE 104 3HG2 ILE 104 -19.779 13.982 3.415 889 HD11 ILE 104 3HD1 ILE 104 -22.517 12.578 0.858 890 HD12 ILE 104 1HD1 ILE 104 -22.085 11.208 1.881 891 HD13 ILE 104 2HD1 ILE 104 -23.782 11.581 1.576 892 H SER 105 H SER 105 -23.651 13.987 5.702 893 HA SER 105 HA SER 105 -26.020 14.980 4.574 894 HB2 SER 105 2HB SER 105 -25.251 13.529 6.990 895 HB3 SER 105 3HB SER 105 -26.619 14.610 7.253 896 HG SER 105 HG SER 105 -27.586 12.847 6.493 897 H GLN 106 H GLN 106 -23.789 16.346 6.887 898 HA GLN 106 HA GLN 106 -25.355 18.333 8.028 899 HB2 GLN 106 2HB GLN 106 -22.806 17.603 8.340 900 HB3 GLN 106 3HB GLN 106 -22.547 19.011 7.318 901 HG2 GLN 106 2HG GLN 106 -22.993 20.433 8.971 902 HG3 GLN 106 3HG GLN 106 -24.401 19.515 9.503 903 HE21 GLN 106 1HE2 GLN 106 -21.057 20.144 9.970 904 HE22 GLN 106 2HE2 GLN 106 -20.841 19.158 11.373 905 H GLU 107 H GLU 107 -23.643 18.300 4.943 906 HA GLU 107 HA GLU 107 -24.170 21.029 4.315 907 HB2 GLU 107 2HB GLU 107 -22.604 18.991 3.239 908 HB3 GLU 107 3HB GLU 107 -23.804 19.317 1.996 909 HG2 GLU 107 2HG GLU 107 -22.650 21.734 3.136 910 HG3 GLU 107 3HG GLU 107 -21.461 20.683 2.369 911 H GLY 108 H GLY 108 -25.983 18.106 4.076 912 HA2 GLY 108 2HA GLY 108 -28.124 19.601 2.703 913 HA3 GLY 108 3HA GLY 108 -27.713 17.968 2.203 914 H ILE 109 H ILE 109 -28.895 19.889 4.927 915 HA ILE 109 HA ILE 109 -30.310 17.486 5.884 916 HB ILE 109 HB ILE 109 -30.287 18.842 8.132 917 HG12 ILE 109 2HG1 ILE 109 -28.192 20.098 8.441 918 HG13 ILE 109 3HG1 ILE 109 -27.798 19.860 6.742 919 HG21 ILE 109 1HG2 ILE 109 -27.646 17.778 7.973 920 HG22 ILE 109 2HG2 ILE 109 -29.078 17.082 8.729 921 HG23 ILE 109 3HG2 ILE 109 -28.734 16.761 7.030 922 HD11 ILE 109 3HD1 ILE 109 -30.395 21.129 7.348 923 HD12 ILE 109 1HD1 ILE 109 -28.940 22.073 7.666 924 HD13 ILE 109 2HD1 ILE 109 -29.249 21.446 6.047 925 H LYS 110 H LYS 110 -30.638 20.516 4.541 926 HA LYS 110 HA LYS 110 -32.861 21.598 5.856 927 HB2 LYS 110 2HB LYS 110 -31.350 22.151 3.510 928 HB3 LYS 110 3HB LYS 110 -33.049 22.145 3.059 929 HG2 LYS 110 2HG LYS 110 -32.412 24.373 3.648 930 HG3 LYS 110 3HG LYS 110 -33.496 23.748 4.893 931 HD2 LYS 110 2HD LYS 110 -31.038 23.018 5.847 932 HD3 LYS 110 3HD LYS 110 -30.690 24.565 5.072 933 HE2 LYS 110 2HE LYS 110 -31.273 24.924 7.391 934 HE3 LYS 110 3HE LYS 110 -32.531 25.589 6.351 935 HZ1 LYS 110 3HZ LYS 110 -33.962 23.819 6.849 936 HZ2 LYS 110 1HZ LYS 110 -33.288 24.255 8.339 937 HZ3 LYS 110 2HZ LYS 110 -32.729 22.880 7.527 938 H GLU 111 H GLU 111 -32.638 19.256 3.217 939 HA GLU 111 HA GLU 111 -35.407 19.109 2.676 940 HB2 GLU 111 2HB GLU 111 -33.603 18.296 1.155 941 HB3 GLU 111 3HB GLU 111 -33.329 16.955 2.259 942 HG2 GLU 111 2HG GLU 111 -34.913 15.786 1.264 943 HG3 GLU 111 3HG GLU 111 -36.097 17.038 1.637 944 H THR 112 H THR 112 -33.405 17.706 5.125 945 HA THR 112 HA THR 112 -34.947 15.489 5.855 946 HB THR 112 HB THR 112 -33.339 17.232 7.729 947 HG1 THR 112 HG1 THR 112 -32.547 15.061 6.059 948 HG21 THR 112 3HG2 THR 112 -33.128 15.252 9.084 949 HG22 THR 112 1HG2 THR 112 -33.983 14.287 7.882 950 HG23 THR 112 2HG2 THR 112 -34.840 15.541 8.777 951 H GLN 113 H GLN 113 -35.099 18.860 6.953 952 HA GLN 113 HA GLN 113 -37.225 18.400 8.798 953 HB2 GLN 113 2HB GLN 113 -35.749 20.744 7.757 954 HB3 GLN 113 3HB GLN 113 -37.378 21.057 8.342 955 HG2 GLN 113 2HG GLN 113 -36.659 19.795 10.449 956 HG3 GLN 113 3HG GLN 113 -35.014 20.007 9.850 957 HE21 GLN 113 1HE2 GLN 113 -34.315 21.381 11.414 958 HE22 GLN 113 2HE2 GLN 113 -34.929 22.981 11.631 959 H ALA 114 H ALA 114 -37.051 18.946 5.406 960 HA ALA 114 HA ALA 114 -39.739 19.919 5.103 961 HB1 ALA 114 1HB ALA 114 -38.471 18.711 2.753 962 HB2 ALA 114 2HB ALA 114 -39.171 20.316 2.970 963 HB3 ALA 114 3HB ALA 114 -37.528 19.989 3.521 964 H LYS 115 H LYS 115 -38.195 16.825 5.258 965 HA LYS 115 HA LYS 115 -40.268 15.338 3.971 966 HB2 LYS 115 2HB LYS 115 -37.687 14.801 4.818 967 HB3 LYS 115 3HB LYS 115 -38.678 13.853 5.918 968 HG2 LYS 115 2HG LYS 115 -39.362 12.433 4.300 969 HG3 LYS 115 3HG LYS 115 -39.364 13.680 3.052 970 HD2 LYS 115 2HD LYS 115 -36.688 13.167 4.014 971 HD3 LYS 115 3HD LYS 115 -37.453 11.686 3.434 972 HE2 LYS 115 2HE LYS 115 -37.803 14.075 1.739 973 HE3 LYS 115 3HE LYS 115 -36.163 13.437 1.841 974 HZ1 LYS 115 3HZ LYS 115 -37.530 12.501 0.005 975 HZ2 LYS 115 1HZ LYS 115 -38.527 11.778 1.165 976 HZ3 LYS 115 2HZ LYS 115 -36.899 11.335 1.056 977 H ARG 116 H ARG 116 -41.162 13.377 5.386 978 HA ARG 116 HA ARG 116 -42.913 14.601 7.308 979 HB2 ARG 116 2HB ARG 116 -43.718 12.872 5.753 980 HB3 ARG 116 3HB ARG 116 -42.631 11.704 6.492 981 HG2 ARG 116 2HG ARG 116 -43.865 11.622 8.467 982 HG3 ARG 116 3HG ARG 116 -44.704 13.133 8.112 983 HD2 ARG 116 2HD ARG 116 -46.353 11.647 7.583 984 HD3 ARG 116 3HD ARG 116 -45.547 11.765 6.019 985 HE ARG 116 HE ARG 116 -44.278 9.702 7.246 986 HH11 ARG 116 1HH1 ARG 116 -47.612 10.440 6.569 987 HH12 ARG 116 2HH1 ARG 116 -48.088 8.780 6.434 988 HH21 ARG 116 1HH2 ARG 116 -44.892 7.512 7.070 989 HH22 ARG 116 2HH2 ARG 116 -46.540 7.115 6.719 Start of MODEL 15 1 H1 GLN 1 H GLN 1 -1.607 -1.276 -4.439 2 HA GLN 1 HA GLN 1 -3.015 0.472 -3.037 3 HB2 GLN 1 2HB GLN 1 -2.245 -1.711 -1.242 4 HB3 GLN 1 3HB GLN 1 -1.818 -0.117 -0.632 5 HG2 GLN 1 2HG GLN 1 -4.112 0.611 -0.824 6 HG3 GLN 1 3HG GLN 1 -4.568 -0.931 -1.546 7 HE21 GLN 1 1HE2 GLN 1 -5.534 0.380 0.884 8 HE22 GLN 1 2HE2 GLN 1 -5.268 -0.745 2.167 9 H SER 2 H SER 2 -1.772 2.046 -3.860 10 HA SER 2 HA SER 2 0.879 2.420 -2.719 11 HB2 SER 2 2HB SER 2 0.944 1.147 -5.013 12 HB3 SER 2 3HB SER 2 0.632 2.745 -5.690 13 HG SER 2 HG SER 2 2.933 1.930 -5.243 14 H LEU 3 H LEU 3 1.699 4.542 -4.301 15 HA LEU 3 HA LEU 3 0.317 6.694 -3.163 16 HB2 LEU 3 2HB LEU 3 2.579 6.298 -4.888 17 HB3 LEU 3 3HB LEU 3 1.611 7.653 -5.464 18 HG LEU 3 HG LEU 3 3.390 8.434 -4.018 19 HD11 LEU 3 1HD1 LEU 3 1.309 9.672 -3.981 20 HD12 LEU 3 2HD1 LEU 3 2.043 9.672 -2.378 21 HD13 LEU 3 3HD1 LEU 3 0.674 8.614 -2.721 22 HD21 LEU 3 3HD2 LEU 3 3.629 7.771 -1.746 23 HD22 LEU 3 1HD2 LEU 3 3.560 6.297 -2.713 24 HD23 LEU 3 2HD2 LEU 3 2.144 6.821 -1.801 25 H ASN 4 H ASN 4 -0.441 8.590 -4.678 26 HA ASN 4 HA ASN 4 -2.881 7.808 -5.816 27 HB2 ASN 4 2HB ASN 4 -2.805 10.190 -6.807 28 HB3 ASN 4 3HB ASN 4 -2.793 10.025 -5.053 29 HD21 ASN 4 1HD2 ASN 4 -1.276 11.071 -3.983 30 HD22 ASN 4 2HD2 ASN 4 0.176 11.719 -4.658 31 HA PRO 5 HA PRO 5 -1.969 6.681 -9.958 32 HB2 PRO 5 2HB PRO 5 -4.100 7.702 -11.294 33 HB3 PRO 5 3HB PRO 5 -4.217 6.293 -10.233 34 HG2 PRO 5 2HG PRO 5 -4.913 9.149 -9.670 35 HG3 PRO 5 3HG PRO 5 -5.803 7.676 -9.245 36 HD2 PRO 5 2HD PRO 5 -4.250 9.004 -7.468 37 HD3 PRO 5 3HD PRO 5 -4.463 7.243 -7.420 38 H ALA 6 H ALA 6 -2.586 10.053 -9.260 39 HA ALA 6 HA ALA 6 -1.864 11.995 -10.208 40 HB1 ALA 6 1HB ALA 6 0.350 10.081 -10.802 41 HB2 ALA 6 2HB ALA 6 0.412 11.723 -11.443 42 HB3 ALA 6 3HB ALA 6 0.321 11.459 -9.702 43 H LEU 7 H LEU 7 -3.662 10.234 -11.758 44 HA LEU 7 HA LEU 7 -2.910 10.968 -14.502 45 HB2 LEU 7 2HB LEU 7 -4.765 8.904 -13.368 46 HB3 LEU 7 3HB LEU 7 -4.886 9.415 -15.050 47 HG LEU 7 HG LEU 7 -2.347 8.307 -13.874 48 HD11 LEU 7 1HD1 LEU 7 -3.934 6.571 -13.563 49 HD12 LEU 7 2HD1 LEU 7 -3.027 6.180 -15.023 50 HD13 LEU 7 3HD1 LEU 7 -4.652 6.852 -15.150 51 HD21 LEU 7 3HD2 LEU 7 -3.178 8.139 -16.732 52 HD22 LEU 7 1HD2 LEU 7 -1.563 8.212 -16.028 53 HD23 LEU 7 2HD2 LEU 7 -2.556 9.667 -16.105 54 H GLN 8 H GLN 8 -5.557 11.145 -12.162 55 HA GLN 8 HA GLN 8 -6.574 13.492 -13.583 56 HB2 GLN 8 2HB GLN 8 -8.263 11.131 -12.742 57 HB3 GLN 8 3HB GLN 8 -8.909 12.676 -13.277 58 HG2 GLN 8 2HG GLN 8 -8.132 12.370 -15.467 59 HG3 GLN 8 3HG GLN 8 -7.061 11.053 -14.990 60 HE21 GLN 8 1HE2 GLN 8 -8.921 10.912 -17.086 61 HE22 GLN 8 2HE2 GLN 8 -10.110 9.728 -16.675 62 H GLU 9 H GLU 9 -5.108 13.879 -11.448 63 HA GLU 9 HA GLU 9 -7.028 14.325 -9.256 64 HB2 GLU 9 2HB GLU 9 -5.073 14.221 -7.714 65 HB3 GLU 9 3HB GLU 9 -5.409 12.702 -8.532 66 HG2 GLU 9 2HG GLU 9 -3.582 13.011 -10.025 67 HG3 GLU 9 3HG GLU 9 -3.328 14.661 -9.460 68 H LYS 10 H LYS 10 -7.083 16.231 -11.056 69 HA LYS 10 HA LYS 10 -5.100 18.270 -10.624 70 HB2 LYS 10 2HB LYS 10 -7.620 18.051 -12.223 71 HB3 LYS 10 3HB LYS 10 -6.934 19.642 -11.919 72 HG2 LYS 10 2HG LYS 10 -4.927 19.091 -13.052 73 HG3 LYS 10 3HG LYS 10 -5.362 17.382 -13.127 74 HD2 LYS 10 2HD LYS 10 -7.348 19.160 -14.331 75 HD3 LYS 10 3HD LYS 10 -5.770 19.219 -15.120 76 HE2 LYS 10 2HE LYS 10 -6.931 16.559 -14.457 77 HE3 LYS 10 3HE LYS 10 -7.604 17.451 -15.820 78 HZ1 LYS 10 3HZ LYS 10 -5.824 17.011 -17.058 79 HZ2 LYS 10 1HZ LYS 10 -5.407 15.855 -15.894 80 HZ3 LYS 10 2HZ LYS 10 -4.738 17.407 -15.822 81 H ILE 11 H ILE 11 -5.737 17.863 -8.170 82 HA ILE 11 HA ILE 11 -8.008 18.929 -7.021 83 HB ILE 11 HB ILE 11 -6.320 17.725 -5.728 84 HG12 ILE 11 2HG1 ILE 11 -6.265 19.250 -3.737 85 HG13 ILE 11 3HG1 ILE 11 -6.887 20.535 -4.766 86 HG21 ILE 11 1HG2 ILE 11 -4.510 19.386 -6.952 87 HG22 ILE 11 2HG2 ILE 11 -4.543 19.994 -5.298 88 HG23 ILE 11 3HG2 ILE 11 -4.164 18.300 -5.607 89 HD11 ILE 11 3HD1 ILE 11 -8.709 19.624 -3.553 90 HD12 ILE 11 1HD1 ILE 11 -8.868 19.088 -5.226 91 HD13 ILE 11 2HD1 ILE 11 -8.261 17.978 -3.997 92 H SER 12 H SER 12 -8.813 20.912 -6.719 93 HA SER 12 HA SER 12 -9.063 23.171 -6.797 94 HB2 SER 12 2HB SER 12 -7.555 23.805 -5.229 95 HB3 SER 12 3HB SER 12 -6.286 22.778 -5.895 96 HG SER 12 HG SER 12 -5.599 24.385 -7.101 97 H THR 13 H THR 13 -9.753 23.669 -8.792 98 HA THR 13 HA THR 13 -7.716 24.400 -10.778 99 HB THR 13 HB THR 13 -8.532 22.210 -11.461 100 HG1 THR 13 HG1 THR 13 -8.512 22.948 -13.439 101 HG21 THR 13 3HG2 THR 13 -10.628 21.589 -11.037 102 HG22 THR 13 1HG2 THR 13 -11.200 22.758 -12.226 103 HG23 THR 13 2HG2 THR 13 -11.036 23.229 -10.534 104 H GLU 14 H GLU 14 -8.823 26.279 -9.207 105 HA GLU 14 HA GLU 14 -9.904 28.121 -10.982 106 HB2 GLU 14 2HB GLU 14 -11.861 26.288 -9.981 107 HB3 GLU 14 3HB GLU 14 -12.194 27.884 -9.325 108 HG2 GLU 14 2HG GLU 14 -11.647 27.586 -12.238 109 HG3 GLU 14 3HG GLU 14 -13.227 27.140 -11.598 110 H LEU 15 H LEU 15 -9.539 26.999 -7.706 111 HA LEU 15 HA LEU 15 -8.637 28.140 -5.916 112 HB2 LEU 15 2HB LEU 15 -7.970 29.829 -7.858 113 HB3 LEU 15 3HB LEU 15 -9.209 30.811 -7.080 114 HG LEU 15 HG LEU 15 -7.785 30.231 -4.918 115 HD11 LEU 15 1HD1 LEU 15 -6.257 28.870 -6.577 116 HD12 LEU 15 2HD1 LEU 15 -5.570 29.774 -5.227 117 HD13 LEU 15 3HD1 LEU 15 -5.539 30.457 -6.853 118 HD21 LEU 15 3HD2 LEU 15 -7.870 32.456 -5.128 119 HD22 LEU 15 1HD2 LEU 15 -7.758 32.389 -6.887 120 HD23 LEU 15 2HD2 LEU 15 -6.294 32.303 -5.906 121 H ASN 16 H ASN 16 -11.610 28.964 -7.469 122 HA ASN 16 HA ASN 16 -12.732 30.051 -4.996 123 HB2 ASN 16 2HB ASN 16 -13.171 30.575 -7.743 124 HB3 ASN 16 3HB ASN 16 -14.657 29.867 -7.118 125 HD21 ASN 16 1HD2 ASN 16 -12.249 32.361 -6.438 126 HD22 ASN 16 2HD2 ASN 16 -13.352 33.477 -5.714 127 H ASN 17 H ASN 17 -13.304 27.455 -7.348 128 HA ASN 17 HA ASN 17 -15.412 26.281 -5.791 129 HB2 ASN 17 2HB ASN 17 -13.868 25.028 -8.069 130 HB3 ASN 17 3HB ASN 17 -15.456 24.553 -7.473 131 HD21 ASN 17 1HD2 ASN 17 -16.907 26.709 -7.321 132 HD22 ASN 17 2HD2 ASN 17 -17.008 27.546 -8.829 133 H LYS 18 H LYS 18 -11.980 26.038 -5.901 134 HA LYS 18 HA LYS 18 -11.484 23.475 -5.002 135 HB2 LYS 18 2HB LYS 18 -9.389 24.294 -4.158 136 HB3 LYS 18 3HB LYS 18 -9.761 25.167 -5.638 137 HG2 LYS 18 2HG LYS 18 -9.186 26.954 -4.407 138 HG3 LYS 18 3HG LYS 18 -10.850 26.833 -3.829 139 HD2 LYS 18 2HD LYS 18 -9.422 27.063 -1.923 140 HD3 LYS 18 3HD LYS 18 -10.012 25.400 -1.960 141 HE2 LYS 18 2HE LYS 18 -7.886 24.755 -1.805 142 HE3 LYS 18 3HE LYS 18 -7.675 25.336 -3.456 143 HZ1 LYS 18 3HZ LYS 18 -7.101 27.527 -2.519 144 HZ2 LYS 18 1HZ LYS 18 -6.017 26.313 -2.055 145 HZ3 LYS 18 2HZ LYS 18 -7.181 26.870 -0.962 146 H GLN 19 H GLN 19 -12.621 26.270 -3.210 147 HA GLN 19 HA GLN 19 -12.247 25.247 -0.612 148 HB2 GLN 19 2HB GLN 19 -12.884 27.650 -1.452 149 HB3 GLN 19 3HB GLN 19 -14.532 27.067 -1.265 150 HG2 GLN 19 2HG GLN 19 -14.447 27.152 0.970 151 HG3 GLN 19 3HG GLN 19 -12.791 26.553 1.033 152 HE21 GLN 19 1HE2 GLN 19 -11.808 27.985 2.309 153 HE22 GLN 19 2HE2 GLN 19 -11.745 29.689 2.027 154 H TYR 20 H TYR 20 -15.027 25.138 -2.812 155 HA TYR 20 HA TYR 20 -16.719 23.736 -1.007 156 HB2 TYR 20 2HB TYR 20 -16.859 24.000 -4.018 157 HB3 TYR 20 3HB TYR 20 -18.142 23.352 -3.001 158 HD1 TYR 20 HD2 TYR 20 -18.170 25.215 -0.746 159 HD2 TYR 20 HD1 TYR 20 -17.679 25.985 -4.901 160 HE1 TYR 20 HE2 TYR 20 -19.065 27.483 -0.425 161 HE2 TYR 20 HE1 TYR 20 -18.572 28.256 -4.592 162 HH TYR 20 HH TYR 20 -19.117 29.603 -1.447 163 H GLU 21 H GLU 21 -14.725 22.718 -3.764 164 HA GLU 21 HA GLU 21 -15.409 19.992 -3.680 165 HB2 GLU 21 2HB GLU 21 -13.130 21.554 -4.827 166 HB3 GLU 21 3HB GLU 21 -13.027 19.799 -4.782 167 HG2 GLU 21 2HG GLU 21 -14.725 19.519 -6.296 168 HG3 GLU 21 3HG GLU 21 -15.466 21.073 -5.916 169 H LEU 22 H LEU 22 -12.710 21.771 -2.211 170 HA LEU 22 HA LEU 22 -11.515 19.504 -1.002 171 HB2 LEU 22 2HB LEU 22 -10.365 21.657 -1.444 172 HB3 LEU 22 3HB LEU 22 -11.322 22.392 -0.160 173 HG LEU 22 HG LEU 22 -9.809 20.018 0.666 174 HD11 LEU 22 1HD1 LEU 22 -7.668 20.798 0.441 175 HD12 LEU 22 2HD1 LEU 22 -8.177 22.480 0.288 176 HD13 LEU 22 3HD1 LEU 22 -8.379 21.371 -1.068 177 HD21 LEU 22 3HD2 LEU 22 -11.030 22.225 1.837 178 HD22 LEU 22 1HD2 LEU 22 -9.301 22.503 2.050 179 HD23 LEU 22 2HD2 LEU 22 -10.034 21.012 2.643 180 H PHE 23 H PHE 23 -14.016 21.740 -0.005 181 HA PHE 23 HA PHE 23 -14.084 21.221 2.730 182 HB2 PHE 23 2HB PHE 23 -15.856 22.407 0.749 183 HB3 PHE 23 3HB PHE 23 -16.749 21.558 2.007 184 HD1 PHE 23 HD1 PHE 23 -13.565 23.469 2.212 185 HD2 PHE 23 HD2 PHE 23 -17.658 23.205 3.351 186 HE1 PHE 23 HE1 PHE 23 -13.267 25.393 3.716 187 HE2 PHE 23 HE2 PHE 23 -17.366 25.129 4.856 188 HZ PHE 23 HZ PHE 23 -15.169 26.226 5.040 189 H MET 24 H MET 24 -15.890 19.621 0.111 190 HA MET 24 HA MET 24 -17.041 17.672 1.858 191 HB2 MET 24 2HB MET 24 -17.332 18.473 -0.872 192 HB3 MET 24 3HB MET 24 -17.077 16.734 -0.822 193 HG2 MET 24 2HG MET 24 -19.403 17.070 -0.738 194 HG3 MET 24 3HG MET 24 -18.907 16.620 0.892 195 HE1 MET 24 3HE MET 24 -20.768 18.514 2.830 196 HE2 MET 24 1HE MET 24 -19.329 17.502 2.693 197 HE3 MET 24 2HE MET 24 -19.169 19.212 3.095 198 H LYS 25 H LYS 25 -14.259 17.777 -0.294 199 HA LYS 25 HA LYS 25 -13.613 15.055 -0.304 200 HB2 LYS 25 2HB LYS 25 -12.526 16.512 -1.854 201 HB3 LYS 25 3HB LYS 25 -11.892 17.520 -0.560 202 HG2 LYS 25 2HG LYS 25 -11.011 14.811 -0.218 203 HG3 LYS 25 3HG LYS 25 -10.627 15.382 -1.844 204 HD2 LYS 25 2HD LYS 25 -10.045 17.108 0.530 205 HD3 LYS 25 3HD LYS 25 -8.946 15.794 0.101 206 HE2 LYS 25 2HE LYS 25 -8.898 16.771 -2.230 207 HE3 LYS 25 3HE LYS 25 -9.732 18.175 -1.566 208 HZ1 LYS 25 3HZ LYS 25 -7.756 18.959 -0.995 209 HZ2 LYS 25 1HZ LYS 25 -6.979 17.531 -1.465 210 HZ3 LYS 25 2HZ LYS 25 -7.586 17.686 0.106 211 H SER 26 H SER 26 -12.482 17.654 1.846 212 HA SER 26 HA SER 26 -10.824 16.045 3.445 213 HB2 SER 26 2HB SER 26 -11.159 18.680 3.290 214 HB3 SER 26 3HB SER 26 -12.219 18.382 4.668 215 HG SER 26 HG SER 26 -10.176 18.749 5.458 216 H LEU 27 H LEU 27 -14.253 16.797 3.620 217 HA LEU 27 HA LEU 27 -14.693 15.656 6.185 218 HB2 LEU 27 2HB LEU 27 -16.336 16.700 3.979 219 HB3 LEU 27 3HB LEU 27 -17.113 15.478 4.983 220 HG LEU 27 HG LEU 27 -16.660 16.884 6.971 221 HD11 LEU 27 1HD1 LEU 27 -14.749 18.091 5.611 222 HD12 LEU 27 2HD1 LEU 27 -15.631 18.918 6.895 223 HD13 LEU 27 3HD1 LEU 27 -16.060 19.199 5.208 224 HD21 LEU 27 3HD2 LEU 27 -18.608 17.977 6.699 225 HD22 LEU 27 1HD2 LEU 27 -18.678 17.080 5.183 226 HD23 LEU 27 2HD2 LEU 27 -18.091 18.743 5.196 227 H ILE 28 H ILE 28 -15.264 14.453 2.885 228 HA ILE 28 HA ILE 28 -16.202 11.908 3.667 229 HB ILE 28 HB ILE 28 -14.904 12.766 1.078 230 HG12 ILE 28 2HG1 ILE 28 -17.013 13.944 1.703 231 HG13 ILE 28 3HG1 ILE 28 -17.159 12.984 0.235 232 HG21 ILE 28 1HG2 ILE 28 -16.640 10.605 0.651 233 HG22 ILE 28 2HG2 ILE 28 -14.884 10.623 0.504 234 HG23 ILE 28 3HG2 ILE 28 -15.636 10.163 2.031 235 HD11 ILE 28 3HD1 ILE 28 -18.374 11.290 1.373 236 HD12 ILE 28 1HD1 ILE 28 -18.042 12.025 2.941 237 HD13 ILE 28 2HD1 ILE 28 -19.100 12.842 1.790 238 H GLU 29 H GLU 29 -12.982 13.099 2.804 239 HA GLU 29 HA GLU 29 -11.663 10.614 2.855 240 HB2 GLU 29 2HB GLU 29 -10.810 13.466 3.042 241 HB3 GLU 29 3HB GLU 29 -9.649 12.220 3.478 242 HG2 GLU 29 2HG GLU 29 -9.784 13.137 1.036 243 HG3 GLU 29 3HG GLU 29 -9.480 11.428 1.346 244 H ASN 30 H ASN 30 -12.469 12.914 5.379 245 HA ASN 30 HA ASN 30 -10.860 11.713 7.402 246 HB2 ASN 30 2HB ASN 30 -13.146 13.673 7.447 247 HB3 ASN 30 3HB ASN 30 -12.438 13.053 8.936 248 HD21 ASN 30 1HD2 ASN 30 -12.395 15.712 8.447 249 HD22 ASN 30 2HD2 ASN 30 -10.784 16.232 8.101 250 H CYS 31 H CYS 31 -14.374 11.674 6.794 251 HA CYS 31 HA CYS 31 -14.998 9.816 8.807 252 HB2 CYS 31 2HB CYS 31 -16.463 10.431 6.233 253 HB3 CYS 31 3HB CYS 31 -17.133 9.517 7.578 254 HG CYS 31 HG CYS 31 -17.061 11.665 9.368 255 H LYS 32 H LYS 32 -14.399 9.375 5.335 256 HA LYS 32 HA LYS 32 -14.839 6.606 5.253 257 HB2 LYS 32 2HB LYS 32 -14.729 7.973 3.233 258 HB3 LYS 32 3HB LYS 32 -13.031 8.317 3.537 259 HG2 LYS 32 2HG LYS 32 -12.836 5.692 3.478 260 HG3 LYS 32 3HG LYS 32 -14.317 5.837 2.528 261 HD2 LYS 32 2HD LYS 32 -13.122 7.473 1.063 262 HD3 LYS 32 3HD LYS 32 -11.640 7.102 1.949 263 HE2 LYS 32 2HE LYS 32 -11.369 5.132 0.904 264 HE3 LYS 32 3HE LYS 32 -13.088 4.747 0.976 265 HZ1 LYS 32 3HZ LYS 32 -11.608 5.674 -1.213 266 HZ2 LYS 32 1HZ LYS 32 -12.744 6.864 -0.817 267 HZ3 LYS 32 2HZ LYS 32 -13.254 5.285 -1.149 268 H LYS 33 H LYS 33 -12.059 8.497 6.200 269 HA LYS 33 HA LYS 33 -10.077 6.528 6.084 270 HB2 LYS 33 2HB LYS 33 -10.406 9.152 7.289 271 HB3 LYS 33 3HB LYS 33 -9.452 8.084 8.310 272 HG2 LYS 33 2HG LYS 33 -8.625 7.903 5.551 273 HG3 LYS 33 3HG LYS 33 -8.561 9.567 6.138 274 HD2 LYS 33 2HD LYS 33 -7.404 7.293 7.722 275 HD3 LYS 33 3HD LYS 33 -6.480 8.101 6.454 276 HE2 LYS 33 2HE LYS 33 -7.348 10.247 7.801 277 HE3 LYS 33 3HE LYS 33 -7.321 9.077 9.119 278 HZ1 LYS 33 3HZ LYS 33 -5.142 10.371 7.798 279 HZ2 LYS 33 1HZ LYS 33 -4.951 8.690 7.824 280 HZ3 LYS 33 2HZ LYS 33 -5.166 9.538 9.271 281 H ARG 34 H ARG 34 -12.758 6.868 8.191 282 HA ARG 34 HA ARG 34 -11.619 5.211 10.284 283 HB2 ARG 34 2HB ARG 34 -13.823 7.037 10.056 284 HB3 ARG 34 3HB ARG 34 -14.409 5.488 10.648 285 HG2 ARG 34 2HG ARG 34 -13.826 6.260 12.657 286 HG3 ARG 34 3HG ARG 34 -12.179 5.852 12.169 287 HD2 ARG 34 2HD ARG 34 -11.585 8.016 11.886 288 HD3 ARG 34 3HD ARG 34 -13.175 8.484 11.287 289 HE ARG 34 HE ARG 34 -13.697 9.152 13.399 290 HH11 ARG 34 1HH1 ARG 34 -11.100 6.841 13.586 291 HH12 ARG 34 2HH1 ARG 34 -10.900 7.009 15.299 292 HH21 ARG 34 1HH2 ARG 34 -13.444 9.381 15.654 293 HH22 ARG 34 2HH2 ARG 34 -12.234 8.453 16.474 294 H ASN 35 H ASN 35 -12.554 4.485 7.326 295 HA ASN 35 HA ASN 35 -13.646 1.879 8.131 296 HB2 ASN 35 2HB ASN 35 -15.381 3.526 7.155 297 HB3 ASN 35 3HB ASN 35 -14.568 3.253 5.617 298 HD21 ASN 35 1HD2 ASN 35 -15.496 1.167 8.335 299 HD22 ASN 35 2HD2 ASN 35 -16.358 0.016 7.377 300 H MET 36 H MET 36 -12.595 3.555 5.158 301 HA MET 36 HA MET 36 -10.531 1.519 4.786 302 HB2 MET 36 2HB MET 36 -12.875 1.985 3.014 303 HB3 MET 36 3HB MET 36 -11.327 1.668 2.243 304 HG2 MET 36 2HG MET 36 -11.179 -0.470 3.126 305 HG3 MET 36 3HG MET 36 -12.348 -0.130 4.399 306 HE1 MET 36 3HE MET 36 -12.323 -2.701 1.847 307 HE2 MET 36 1HE MET 36 -12.818 -2.608 3.537 308 HE3 MET 36 2HE MET 36 -14.014 -2.947 2.286 309 HA PRO 37 HA PRO 37 -9.029 5.809 3.929 310 HB2 PRO 37 2HB PRO 37 -6.673 5.482 5.237 311 HB3 PRO 37 3HB PRO 37 -8.162 5.974 6.051 312 HG2 PRO 37 2HG PRO 37 -6.899 3.265 5.887 313 HG3 PRO 37 3HG PRO 37 -7.636 4.073 7.283 314 HD2 PRO 37 2HD PRO 37 -8.934 2.184 5.841 315 HD3 PRO 37 3HD PRO 37 -9.778 3.537 6.622 316 H LEU 38 H LEU 38 -7.725 6.374 2.262 317 HA LEU 38 HA LEU 38 -6.589 4.275 0.657 318 HB2 LEU 38 2HB LEU 38 -7.462 6.959 0.273 319 HB3 LEU 38 3HB LEU 38 -5.799 6.824 -0.296 320 HG LEU 38 HG LEU 38 -7.301 6.478 -2.139 321 HD11 LEU 38 1HD1 LEU 38 -5.279 5.151 -2.156 322 HD12 LEU 38 2HD1 LEU 38 -6.609 4.228 -2.853 323 HD13 LEU 38 3HD1 LEU 38 -6.067 3.889 -1.210 324 HD21 LEU 38 3HD2 LEU 38 -8.583 4.456 -0.323 325 HD22 LEU 38 1HD2 LEU 38 -8.807 4.428 -2.073 326 HD23 LEU 38 2HD2 LEU 38 -9.327 5.832 -1.141 327 H GLN 39 H GLN 39 -4.374 5.492 -0.470 328 HA GLN 39 HA GLN 39 -2.368 4.853 1.451 329 HB2 GLN 39 2HB GLN 39 -2.442 4.801 -1.248 330 HB3 GLN 39 3HB GLN 39 -1.580 6.313 -0.999 331 HG2 GLN 39 2HG GLN 39 -0.782 3.550 -0.155 332 HG3 GLN 39 3HG GLN 39 0.074 4.670 -1.214 333 HE21 GLN 39 1HE2 GLN 39 0.834 6.690 -0.190 334 HE22 GLN 39 2HE2 GLN 39 1.416 6.608 1.434 335 H SER 40 H SER 40 -3.738 7.823 0.202 336 HA SER 40 HA SER 40 -2.679 9.328 2.391 337 HB2 SER 40 2HB SER 40 -1.476 9.625 -0.346 338 HB3 SER 40 3HB SER 40 -1.560 11.010 0.743 339 HG SER 40 HG SER 40 0.401 9.911 1.009 340 H ILE 41 H ILE 41 -3.404 10.376 -0.920 341 HA ILE 41 HA ILE 41 -5.854 11.653 0.107 342 HB ILE 41 HB ILE 41 -4.044 12.755 -2.045 343 HG12 ILE 41 2HG1 ILE 41 -3.001 12.894 0.174 344 HG13 ILE 41 3HG1 ILE 41 -3.461 14.490 -0.411 345 HG21 ILE 41 1HG2 ILE 41 -5.626 14.802 -1.243 346 HG22 ILE 41 2HG2 ILE 41 -5.962 13.770 -2.631 347 HG23 ILE 41 3HG2 ILE 41 -6.732 13.439 -1.080 348 HD11 ILE 41 3HD1 ILE 41 -4.570 14.829 1.465 349 HD12 ILE 41 1HD1 ILE 41 -5.641 13.486 1.067 350 HD13 ILE 41 2HD1 ILE 41 -4.180 13.198 2.013 351 HA PRO 42 HA PRO 42 -7.371 8.865 -3.133 352 HB2 PRO 42 2HB PRO 42 -9.918 8.828 -2.194 353 HB3 PRO 42 3HB PRO 42 -8.633 7.816 -1.525 354 HG2 PRO 42 2HG PRO 42 -9.726 10.409 -0.505 355 HG3 PRO 42 3HG PRO 42 -9.304 8.941 0.396 356 HD2 PRO 42 2HD PRO 42 -7.677 11.103 0.287 357 HD3 PRO 42 3HD PRO 42 -7.055 9.444 0.407 358 H GLU 43 H GLU 43 -7.535 9.930 -5.021 359 HA GLU 43 HA GLU 43 -9.815 11.710 -5.396 360 HB2 GLU 43 2HB GLU 43 -8.097 13.301 -4.923 361 HB3 GLU 43 3HB GLU 43 -6.952 12.469 -5.965 362 HG2 GLU 43 2HG GLU 43 -8.046 13.184 -7.918 363 HG3 GLU 43 3HG GLU 43 -9.476 13.696 -7.023 364 H ILE 44 H ILE 44 -10.681 11.650 -7.434 365 HA ILE 44 HA ILE 44 -9.249 10.328 -9.586 366 HB ILE 44 HB ILE 44 -11.803 9.204 -8.438 367 HG12 ILE 44 2HG1 ILE 44 -9.688 8.458 -7.387 368 HG13 ILE 44 3HG1 ILE 44 -10.519 7.148 -8.218 369 HG21 ILE 44 1HG2 ILE 44 -11.052 7.563 -10.518 370 HG22 ILE 44 2HG2 ILE 44 -12.377 8.725 -10.539 371 HG23 ILE 44 3HG2 ILE 44 -10.793 9.183 -11.163 372 HD11 ILE 44 3HD1 ILE 44 -8.737 6.750 -9.459 373 HD12 ILE 44 1HD1 ILE 44 -8.687 8.425 -10.007 374 HD13 ILE 44 2HD1 ILE 44 -7.862 7.958 -8.519 375 H GLY 45 H GLY 45 -9.565 11.534 -11.329 376 HA2 GLY 45 2HA GLY 45 -10.961 12.408 -13.045 377 HA3 GLY 45 3HA GLY 45 -12.253 12.580 -11.867 378 H ASN 46 H ASN 46 -12.152 14.329 -10.352 379 HA ASN 46 HA ASN 46 -10.182 16.299 -10.290 380 HB2 ASN 46 2HB ASN 46 -11.451 16.407 -12.716 381 HB3 ASN 46 3HB ASN 46 -12.383 17.566 -11.773 382 HD21 ASN 46 1HD2 ASN 46 -10.597 18.749 -10.191 383 HD22 ASN 46 2HD2 ASN 46 -9.382 19.558 -11.117 384 H ARG 47 H ARG 47 -11.871 14.995 -8.473 385 HA ARG 47 HA ARG 47 -13.095 15.421 -6.604 386 HB2 ARG 47 2HB ARG 47 -12.732 18.336 -7.312 387 HB3 ARG 47 3HB ARG 47 -13.158 17.681 -5.737 388 HG2 ARG 47 2HG ARG 47 -10.684 16.568 -6.774 389 HG3 ARG 47 3HG ARG 47 -10.630 18.324 -6.604 390 HD2 ARG 47 2HD ARG 47 -9.900 16.994 -4.586 391 HD3 ARG 47 3HD ARG 47 -11.143 18.212 -4.300 392 HE ARG 47 HE ARG 47 -12.634 16.537 -3.790 393 HH11 ARG 47 1HH1 ARG 47 -9.767 15.167 -5.213 394 HH12 ARG 47 2HH1 ARG 47 -10.201 13.534 -4.833 395 HH21 ARG 47 1HH2 ARG 47 -13.216 14.390 -3.283 396 HH22 ARG 47 2HH2 ARG 47 -12.163 13.093 -3.736 397 H LYS 48 H LYS 48 -15.130 14.756 -6.831 398 HA LYS 48 HA LYS 48 -17.098 16.641 -7.886 399 HB2 LYS 48 2HB LYS 48 -16.600 13.868 -8.924 400 HB3 LYS 48 3HB LYS 48 -18.207 14.578 -9.013 401 HG2 LYS 48 2HG LYS 48 -17.613 16.075 -10.612 402 HG3 LYS 48 3HG LYS 48 -15.947 16.194 -10.039 403 HD2 LYS 48 2HD LYS 48 -16.918 13.641 -11.253 404 HD3 LYS 48 3HD LYS 48 -16.475 14.994 -12.298 405 HE2 LYS 48 2HE LYS 48 -14.477 14.606 -10.270 406 HE3 LYS 48 3HE LYS 48 -14.772 13.094 -11.126 407 HZ1 LYS 48 3HZ LYS 48 -13.692 13.856 -12.889 408 HZ2 LYS 48 1HZ LYS 48 -13.227 15.206 -11.981 409 HZ3 LYS 48 2HZ LYS 48 -14.618 15.271 -12.940 410 H ILE 49 H ILE 49 -16.205 15.267 -5.280 411 HA ILE 49 HA ILE 49 -18.584 13.799 -4.515 412 HB ILE 49 HB ILE 49 -16.526 14.668 -2.533 413 HG12 ILE 49 2HG1 ILE 49 -15.157 13.939 -4.384 414 HG13 ILE 49 3HG1 ILE 49 -15.158 12.675 -3.158 415 HG21 ILE 49 1HG2 ILE 49 -18.350 12.321 -2.912 416 HG22 ILE 49 2HG2 ILE 49 -16.979 12.244 -1.808 417 HG23 ILE 49 3HG2 ILE 49 -18.248 13.441 -1.554 418 HD11 ILE 49 3HD1 ILE 49 -15.928 12.542 -5.909 419 HD12 ILE 49 1HD1 ILE 49 -15.735 11.241 -4.735 420 HD13 ILE 49 2HD1 ILE 49 -17.282 12.078 -4.878 421 H ASN 50 H ASN 50 -17.915 16.984 -4.867 422 HA ASN 50 HA ASN 50 -19.023 18.043 -2.451 423 HB2 ASN 50 2HB ASN 50 -17.448 19.337 -3.833 424 HB3 ASN 50 3HB ASN 50 -18.623 19.365 -5.145 425 HD21 ASN 50 1HD2 ASN 50 -18.813 19.920 -1.645 426 HD22 ASN 50 2HD2 ASN 50 -19.568 21.470 -1.761 427 H LEU 51 H LEU 51 -21.035 19.129 -2.219 428 HA LEU 51 HA LEU 51 -23.216 17.754 -3.435 429 HB2 LEU 51 2HB LEU 51 -23.127 18.695 -1.091 430 HB3 LEU 51 3HB LEU 51 -23.361 20.285 -1.814 431 HG LEU 51 HG LEU 51 -25.378 18.363 -2.659 432 HD11 LEU 51 1HD1 LEU 51 -24.777 18.680 0.225 433 HD12 LEU 51 2HD1 LEU 51 -25.487 17.320 -0.645 434 HD13 LEU 51 3HD1 LEU 51 -26.470 18.735 -0.267 435 HD21 LEU 51 3HD2 LEU 51 -26.686 20.198 -2.655 436 HD22 LEU 51 1HD2 LEU 51 -25.142 21.047 -2.572 437 HD23 LEU 51 2HD2 LEU 51 -26.072 20.764 -1.101 438 H PHE 52 H PHE 52 -21.462 20.611 -4.183 439 HA PHE 52 HA PHE 52 -23.578 21.636 -5.917 440 HB2 PHE 52 2HB PHE 52 -21.926 23.011 -4.351 441 HB3 PHE 52 3HB PHE 52 -20.892 22.923 -5.773 442 HD1 PHE 52 HD1 PHE 52 -24.418 23.740 -4.870 443 HD2 PHE 52 HD2 PHE 52 -21.050 24.604 -7.325 444 HE1 PHE 52 HE1 PHE 52 -25.633 25.635 -5.862 445 HE2 PHE 52 HE2 PHE 52 -22.259 26.502 -8.321 446 HZ PHE 52 HZ PHE 52 -24.553 27.020 -7.589 447 H TYR 53 H TYR 53 -20.404 20.153 -6.057 448 HA TYR 53 HA TYR 53 -20.043 20.526 -8.866 449 HB2 TYR 53 2HB TYR 53 -18.282 20.027 -6.994 450 HB3 TYR 53 3HB TYR 53 -18.680 18.345 -7.324 451 HD1 TYR 53 HD2 TYR 53 -18.855 17.984 -10.078 452 HD2 TYR 53 HD1 TYR 53 -16.334 20.713 -8.003 453 HE1 TYR 53 HE2 TYR 53 -17.299 17.986 -11.983 454 HE2 TYR 53 HE1 TYR 53 -14.772 20.723 -9.903 455 HH TYR 53 HH TYR 53 -15.382 19.975 -12.789 456 H LEU 54 H LEU 54 -20.898 17.702 -6.870 457 HA LEU 54 HA LEU 54 -21.281 15.890 -8.959 458 HB2 LEU 54 2HB LEU 54 -21.176 15.461 -6.448 459 HB3 LEU 54 3HB LEU 54 -22.885 15.889 -6.418 460 HG LEU 54 HG LEU 54 -21.880 13.700 -8.204 461 HD11 LEU 54 1HD1 LEU 54 -22.539 12.132 -6.359 462 HD12 LEU 54 2HD1 LEU 54 -22.540 13.521 -5.273 463 HD13 LEU 54 3HD1 LEU 54 -21.050 13.035 -6.080 464 HD21 LEU 54 3HD2 LEU 54 -24.044 13.934 -8.782 465 HD22 LEU 54 1HD2 LEU 54 -24.469 14.750 -7.276 466 HD23 LEU 54 2HD2 LEU 54 -24.331 12.992 -7.318 467 H TYR 55 H TYR 55 -23.394 18.343 -7.629 468 HA TYR 55 HA TYR 55 -25.742 17.421 -8.996 469 HB2 TYR 55 2HB TYR 55 -25.939 18.694 -6.921 470 HB3 TYR 55 3HB TYR 55 -25.140 20.073 -7.668 471 HD1 TYR 55 HD1 TYR 55 -27.996 17.820 -8.559 472 HD2 TYR 55 HD2 TYR 55 -26.566 21.807 -8.160 473 HE1 TYR 55 HE1 TYR 55 -30.179 18.671 -9.307 474 HE2 TYR 55 HE2 TYR 55 -28.746 22.669 -8.905 475 HH TYR 55 HH TYR 55 -31.503 20.882 -8.981 476 H MET 56 H MET 56 -23.374 20.010 -9.506 477 HA MET 56 HA MET 56 -24.567 21.202 -11.734 478 HB2 MET 56 2HB MET 56 -22.657 22.139 -10.427 479 HB3 MET 56 3HB MET 56 -21.604 20.956 -11.190 480 HG2 MET 56 2HG MET 56 -23.096 22.395 -13.176 481 HG3 MET 56 3HG MET 56 -22.251 23.511 -12.106 482 HE1 MET 56 3HE MET 56 -20.965 24.500 -13.800 483 HE2 MET 56 1HE MET 56 -19.555 23.819 -14.611 484 HE3 MET 56 2HE MET 56 -21.169 23.535 -15.263 485 H LEU 57 H LEU 57 -22.355 18.460 -11.491 486 HA LEU 57 HA LEU 57 -21.853 18.124 -14.232 487 HB2 LEU 57 2HB LEU 57 -20.815 17.002 -12.102 488 HB3 LEU 57 3HB LEU 57 -22.046 15.776 -12.401 489 HG LEU 57 HG LEU 57 -20.414 16.470 -14.742 490 HD11 LEU 57 1HD1 LEU 57 -19.145 15.873 -12.207 491 HD12 LEU 57 2HD1 LEU 57 -18.431 16.372 -13.740 492 HD13 LEU 57 3HD1 LEU 57 -18.770 14.668 -13.440 493 HD21 LEU 57 3HD2 LEU 57 -20.551 13.714 -13.767 494 HD22 LEU 57 1HD2 LEU 57 -20.953 14.382 -15.349 495 HD23 LEU 57 2HD2 LEU 57 -22.125 14.467 -14.033 496 H VAL 58 H VAL 58 -24.298 16.621 -12.131 497 HA VAL 58 HA VAL 58 -25.504 15.005 -14.070 498 HB VAL 58 HB VAL 58 -26.868 16.303 -11.709 499 HG11 VAL 58 1HG1 VAL 58 -28.194 14.100 -11.863 500 HG12 VAL 58 2HG1 VAL 58 -28.560 15.383 -13.018 501 HG13 VAL 58 3HG1 VAL 58 -27.566 14.011 -13.509 502 HG21 VAL 58 3HG2 VAL 58 -26.149 13.582 -11.251 503 HG22 VAL 58 1HG2 VAL 58 -24.713 14.475 -11.752 504 HG23 VAL 58 2HG2 VAL 58 -25.651 15.022 -10.363 505 H GLN 59 H GLN 59 -26.375 18.279 -12.978 506 HA GLN 59 HA GLN 59 -28.575 18.638 -14.669 507 HB2 GLN 59 2HB GLN 59 -27.568 20.089 -12.685 508 HB3 GLN 59 3HB GLN 59 -26.838 20.971 -14.019 509 HG2 GLN 59 2HG GLN 59 -29.713 20.413 -14.288 510 HG3 GLN 59 3HG GLN 59 -29.262 21.516 -12.989 511 HE21 GLN 59 1HE2 GLN 59 -30.482 21.642 -15.859 512 HE22 GLN 59 2HE2 GLN 59 -29.694 23.022 -16.536 513 H LYS 60 H LYS 60 -25.137 19.085 -15.214 514 HA LYS 60 HA LYS 60 -25.388 20.446 -17.700 515 HB2 LYS 60 2HB LYS 60 -23.225 19.316 -16.071 516 HB3 LYS 60 3HB LYS 60 -22.931 19.221 -17.803 517 HG2 LYS 60 2HG LYS 60 -23.810 21.785 -17.534 518 HG3 LYS 60 3HG LYS 60 -22.941 21.536 -16.018 519 HD2 LYS 60 2HD LYS 60 -20.920 21.190 -17.080 520 HD3 LYS 60 3HD LYS 60 -21.682 20.689 -18.591 521 HE2 LYS 60 2HE LYS 60 -22.481 23.356 -18.063 522 HE3 LYS 60 3HE LYS 60 -20.736 23.267 -17.830 523 HZ1 LYS 60 3HZ LYS 60 -21.216 21.852 -20.127 524 HZ2 LYS 60 1HZ LYS 60 -20.574 23.414 -20.025 525 HZ3 LYS 60 2HZ LYS 60 -22.236 23.195 -20.250 526 H PHE 61 H PHE 61 -25.172 17.070 -16.758 527 HA PHE 61 HA PHE 61 -24.844 16.090 -19.430 528 HB2 PHE 61 2HB PHE 61 -24.774 15.006 -16.790 529 HB3 PHE 61 3HB PHE 61 -25.921 14.067 -17.740 530 HD1 PHE 61 HD2 PHE 61 -22.420 15.093 -17.404 531 HD2 PHE 61 HD1 PHE 61 -25.195 12.707 -19.578 532 HE1 PHE 61 HE2 PHE 61 -20.553 13.868 -18.436 533 HE2 PHE 61 HE1 PHE 61 -23.331 11.477 -20.613 534 HZ PHE 61 HZ PHE 61 -21.007 12.058 -20.043 535 H GLY 62 H GLY 62 -27.441 17.393 -17.784 536 HA2 GLY 62 2HA GLY 62 -29.524 17.758 -18.896 537 HA3 GLY 62 3HA GLY 62 -29.299 16.236 -19.745 538 H GLY 63 H GLY 63 -28.537 16.090 -16.433 539 HA2 GLY 63 2HA GLY 63 -29.950 15.603 -14.581 540 HA3 GLY 63 3HA GLY 63 -31.250 15.238 -15.706 541 H ALA 64 H ALA 64 -30.467 13.596 -13.530 542 HA ALA 64 HA ALA 64 -28.744 11.514 -14.089 543 HB1 ALA 64 1HB ALA 64 -31.133 10.536 -12.790 544 HB2 ALA 64 2HB ALA 64 -29.499 10.725 -12.151 545 HB3 ALA 64 3HB ALA 64 -30.621 12.086 -12.120 546 H ASP 65 H ASP 65 -31.978 12.087 -15.297 547 HA ASP 65 HA ASP 65 -32.430 9.498 -16.359 548 HB2 ASP 65 2HB ASP 65 -33.686 12.173 -16.622 549 HB3 ASP 65 3HB ASP 65 -33.988 11.030 -17.928 550 H GLN 66 H GLN 66 -30.964 12.428 -17.650 551 HA GLN 66 HA GLN 66 -30.741 11.499 -20.326 552 HB2 GLN 66 2HB GLN 66 -30.541 13.918 -19.310 553 HB3 GLN 66 3HB GLN 66 -28.837 13.503 -19.187 554 HG2 GLN 66 2HG GLN 66 -28.511 13.855 -21.349 555 HG3 GLN 66 3HG GLN 66 -29.883 12.841 -21.790 556 HE21 GLN 66 1HE2 GLN 66 -32.007 14.124 -20.814 557 HE22 GLN 66 2HE2 GLN 66 -32.166 15.694 -21.518 558 H VAL 67 H VAL 67 -28.649 11.352 -17.501 559 HA VAL 67 HA VAL 67 -26.337 10.406 -18.836 560 HB VAL 67 HB VAL 67 -27.145 10.001 -15.953 561 HG11 VAL 67 1HG1 VAL 67 -24.431 9.827 -17.260 562 HG12 VAL 67 2HG1 VAL 67 -24.771 9.643 -15.538 563 HG13 VAL 67 3HG1 VAL 67 -25.389 8.459 -16.691 564 HG21 VAL 67 3HG2 VAL 67 -25.374 12.127 -17.154 565 HG22 VAL 67 1HG2 VAL 67 -27.053 12.372 -16.673 566 HG23 VAL 67 2HG2 VAL 67 -25.838 11.966 -15.461 567 H THR 68 H THR 68 -29.163 8.827 -17.497 568 HA THR 68 HA THR 68 -28.034 6.177 -17.874 569 HB THR 68 HB THR 68 -29.472 6.585 -15.925 570 HG1 THR 68 HG1 THR 68 -30.623 4.694 -16.157 571 HG21 THR 68 3HG2 THR 68 -30.969 8.252 -16.916 572 HG22 THR 68 1HG2 THR 68 -31.881 6.919 -16.210 573 HG23 THR 68 2HG2 THR 68 -31.665 7.012 -17.958 574 H ARG 69 H ARG 69 -30.181 8.385 -19.493 575 HA ARG 69 HA ARG 69 -31.594 6.658 -21.149 576 HB2 ARG 69 2HB ARG 69 -32.122 9.027 -21.002 577 HB3 ARG 69 3HB ARG 69 -30.575 9.444 -21.726 578 HG2 ARG 69 2HG ARG 69 -32.131 7.627 -23.377 579 HG3 ARG 69 3HG ARG 69 -32.962 9.150 -23.053 580 HD2 ARG 69 2HD ARG 69 -30.125 9.427 -23.742 581 HD3 ARG 69 3HD ARG 69 -31.128 8.758 -25.028 582 HE ARG 69 HE ARG 69 -31.167 11.451 -24.017 583 HH11 ARG 69 1HH1 ARG 69 -32.972 8.983 -25.682 584 HH12 ARG 69 2HH1 ARG 69 -34.022 10.106 -26.481 585 HH21 ARG 69 1HH2 ARG 69 -32.543 12.940 -25.063 586 HH22 ARG 69 2HH2 ARG 69 -33.776 12.356 -26.129 587 H THR 70 H THR 70 -28.333 7.945 -21.469 588 HA THR 70 HA THR 70 -27.981 6.402 -23.947 589 HB THR 70 HB THR 70 -25.696 7.796 -23.825 590 HG1 THR 70 HG1 THR 70 -27.554 9.637 -22.730 591 HG21 THR 70 3HG2 THR 70 -27.312 9.683 -24.959 592 HG22 THR 70 1HG2 THR 70 -28.325 8.243 -25.048 593 HG23 THR 70 2HG2 THR 70 -26.721 8.239 -25.780 594 H GLN 71 H GLN 71 -27.686 5.846 -20.811 595 HA GLN 71 HA GLN 71 -26.442 4.470 -19.494 596 HB2 GLN 71 2HB GLN 71 -26.970 3.030 -21.600 597 HB3 GLN 71 3HB GLN 71 -25.263 3.244 -21.965 598 HG2 GLN 71 2HG GLN 71 -24.752 1.592 -20.596 599 HG3 GLN 71 3HG GLN 71 -25.480 2.467 -19.250 600 HE21 GLN 71 1HE2 GLN 71 -28.000 2.375 -19.391 601 HE22 GLN 71 2HE2 GLN 71 -28.647 0.788 -19.610 602 H GLN 72 H GLN 72 -25.296 6.891 -19.725 603 HA GLN 72 HA GLN 72 -22.454 6.418 -20.286 604 HB2 GLN 72 2HB GLN 72 -23.936 9.014 -19.833 605 HB3 GLN 72 3HB GLN 72 -22.225 8.870 -20.214 606 HG2 GLN 72 2HG GLN 72 -23.787 7.454 -22.157 607 HG3 GLN 72 3HG GLN 72 -24.368 9.110 -21.995 608 HE21 GLN 72 1HE2 GLN 72 -21.573 7.118 -22.692 609 HE22 GLN 72 2HE2 GLN 72 -20.689 8.326 -23.555 610 H TRP 73 H TRP 73 -24.646 6.552 -17.743 611 HA TRP 73 HA TRP 73 -23.330 7.836 -15.687 612 HB2 TRP 73 2HB TRP 73 -25.551 6.987 -15.350 613 HB3 TRP 73 3HB TRP 73 -25.019 5.331 -15.628 614 HD1 TRP 73 HD1 TRP 73 -23.301 7.856 -13.262 615 HE1 TRP 73 HE1 TRP 73 -23.355 6.883 -10.879 616 HE3 TRP 73 HE3 TRP 73 -26.118 3.684 -14.152 617 HZ2 TRP 73 HZ2 TRP 73 -24.447 4.643 -9.553 618 HZ3 TRP 73 HZ3 TRP 73 -26.622 2.177 -12.273 619 HH2 TRP 73 HH2 TRP 73 -25.802 2.649 -10.022 620 H SER 74 H SER 74 -22.693 4.689 -17.092 621 HA SER 74 HA SER 74 -20.981 3.693 -15.089 622 HB2 SER 74 2HB SER 74 -20.163 2.150 -16.848 623 HB3 SER 74 3HB SER 74 -21.924 2.236 -16.805 624 HG SER 74 HG SER 74 -20.715 2.426 -18.928 625 H MET 75 H MET 75 -20.346 5.584 -18.016 626 HA MET 75 HA MET 75 -17.514 5.607 -17.672 627 HB2 MET 75 2HB MET 75 -19.362 7.312 -19.344 628 HB3 MET 75 3HB MET 75 -17.610 7.450 -19.387 629 HG2 MET 75 2HG MET 75 -17.901 4.801 -19.801 630 HG3 MET 75 3HG MET 75 -19.379 5.411 -20.542 631 HE1 MET 75 3HE MET 75 -18.135 5.709 -23.951 632 HE2 MET 75 1HE MET 75 -18.054 4.228 -22.996 633 HE3 MET 75 2HE MET 75 -19.408 5.338 -22.787 634 H VAL 76 H VAL 76 -20.087 7.976 -17.039 635 HA VAL 76 HA VAL 76 -18.438 10.031 -16.071 636 HB VAL 76 HB VAL 76 -21.303 9.426 -15.323 637 HG11 VAL 76 1HG1 VAL 76 -19.558 11.833 -14.899 638 HG12 VAL 76 2HG1 VAL 76 -21.319 11.946 -14.920 639 HG13 VAL 76 3HG1 VAL 76 -20.512 10.941 -13.715 640 HG21 VAL 76 3HG2 VAL 76 -20.746 9.744 -17.782 641 HG22 VAL 76 1HG2 VAL 76 -21.971 10.818 -17.106 642 HG23 VAL 76 2HG2 VAL 76 -20.329 11.406 -17.367 643 H ALA 77 H ALA 77 -20.175 7.451 -14.350 644 HA ALA 77 HA ALA 77 -19.528 8.168 -11.745 645 HB1 ALA 77 1HB ALA 77 -19.709 5.625 -11.333 646 HB2 ALA 77 2HB ALA 77 -21.123 6.493 -11.931 647 HB3 ALA 77 3HB ALA 77 -20.138 5.540 -13.041 648 H GLN 78 H GLN 78 -17.667 6.335 -14.114 649 HA GLN 78 HA GLN 78 -15.617 5.483 -12.374 650 HB2 GLN 78 2HB GLN 78 -16.023 5.636 -15.296 651 HB3 GLN 78 3HB GLN 78 -14.347 5.633 -14.764 652 HG2 GLN 78 2HG GLN 78 -14.407 3.453 -14.414 653 HG3 GLN 78 3HG GLN 78 -15.806 3.617 -13.354 654 HE21 GLN 78 1HE2 GLN 78 -15.247 4.056 -16.833 655 HE22 GLN 78 2HE2 GLN 78 -16.539 3.029 -17.343 656 H ARG 79 H ARG 79 -16.173 8.464 -14.106 657 HA ARG 79 HA ARG 79 -13.617 9.571 -14.037 658 HB2 ARG 79 2HB ARG 79 -16.015 10.408 -14.961 659 HB3 ARG 79 3HB ARG 79 -15.873 11.414 -13.526 660 HG2 ARG 79 2HG ARG 79 -14.961 12.711 -15.227 661 HG3 ARG 79 3HG ARG 79 -13.554 12.028 -14.409 662 HD2 ARG 79 2HD ARG 79 -13.106 10.551 -16.138 663 HD3 ARG 79 3HD ARG 79 -14.755 10.620 -16.757 664 HE ARG 79 HE ARG 79 -12.586 12.406 -17.385 665 HH11 ARG 79 1HH1 ARG 79 -16.042 11.994 -17.296 666 HH12 ARG 79 2HH1 ARG 79 -16.348 13.203 -18.499 667 HH21 ARG 79 1HH2 ARG 79 -12.976 14.000 -18.970 668 HH22 ARG 79 2HH2 ARG 79 -14.603 14.343 -19.451 669 H LEU 80 H LEU 80 -16.200 9.666 -11.611 670 HA LEU 80 HA LEU 80 -14.386 10.989 -9.732 671 HB2 LEU 80 2HB LEU 80 -16.326 11.385 -8.365 672 HB3 LEU 80 3HB LEU 80 -16.649 11.903 -10.018 673 HG LEU 80 HG LEU 80 -17.537 9.184 -9.192 674 HD11 LEU 80 1HD1 LEU 80 -19.657 10.151 -8.357 675 HD12 LEU 80 2HD1 LEU 80 -18.907 11.746 -8.394 676 HD13 LEU 80 3HD1 LEU 80 -18.274 10.499 -7.320 677 HD21 LEU 80 3HD2 LEU 80 -18.225 11.248 -11.206 678 HD22 LEU 80 1HD2 LEU 80 -19.532 10.222 -10.614 679 HD23 LEU 80 2HD2 LEU 80 -18.113 9.495 -11.368 680 H GLN 81 H GLN 81 -15.189 7.917 -10.624 681 HA GLN 81 HA GLN 81 -14.792 5.869 -9.713 682 HB2 GLN 81 2HB GLN 81 -12.819 7.369 -8.707 683 HB3 GLN 81 3HB GLN 81 -13.654 6.990 -7.207 684 HG2 GLN 81 2HG GLN 81 -13.544 4.539 -8.210 685 HG3 GLN 81 3HG GLN 81 -12.149 5.223 -9.044 686 HE21 GLN 81 1HE2 GLN 81 -10.533 4.222 -7.990 687 HE22 GLN 81 2HE2 GLN 81 -10.223 4.377 -6.298 688 H ILE 82 H ILE 82 -17.306 6.717 -9.424 689 HA ILE 82 HA ILE 82 -18.037 6.192 -6.624 690 HB ILE 82 HB ILE 82 -18.938 8.277 -7.511 691 HG12 ILE 82 2HG1 ILE 82 -21.411 6.680 -7.497 692 HG13 ILE 82 3HG1 ILE 82 -20.327 6.357 -6.148 693 HG21 ILE 82 1HG2 ILE 82 -19.000 7.797 -9.858 694 HG22 ILE 82 2HG2 ILE 82 -20.186 6.516 -9.613 695 HG23 ILE 82 3HG2 ILE 82 -20.634 8.198 -9.332 696 HD11 ILE 82 3HD1 ILE 82 -21.871 8.032 -5.475 697 HD12 ILE 82 1HD1 ILE 82 -20.300 8.804 -5.686 698 HD13 ILE 82 2HD1 ILE 82 -21.548 8.992 -6.919 699 H SER 83 H SER 83 -18.159 4.922 -9.818 700 HA SER 83 HA SER 83 -19.489 2.530 -8.816 701 HB2 SER 83 2HB SER 83 -20.436 3.624 -11.443 702 HB3 SER 83 3HB SER 83 -21.240 2.499 -10.349 703 HG SER 83 HG SER 83 -22.042 4.751 -10.419 704 H ASP 84 H ASP 84 -16.970 2.338 -9.148 705 HA ASP 84 HA ASP 84 -16.294 1.646 -11.900 706 HB2 ASP 84 2HB ASP 84 -14.793 2.324 -9.462 707 HB3 ASP 84 3HB ASP 84 -14.071 1.039 -10.427 708 H TYR 85 H TYR 85 -18.110 -0.082 -11.398 709 HA TYR 85 HA TYR 85 -18.554 -2.318 -11.425 710 HB2 TYR 85 2HB TYR 85 -15.651 -2.894 -10.880 711 HB3 TYR 85 3HB TYR 85 -16.821 -3.881 -11.749 712 HD1 TYR 85 HD1 TYR 85 -17.974 -2.099 -13.695 713 HD2 TYR 85 HD2 TYR 85 -13.948 -2.327 -12.337 714 HE1 TYR 85 HE1 TYR 85 -17.207 -1.138 -15.826 715 HE2 TYR 85 HE2 TYR 85 -13.170 -1.366 -14.463 716 HH TYR 85 HH TYR 85 -15.418 -0.700 -17.110 717 H GLN 86 H GLN 86 -16.667 -4.121 -9.755 718 HA GLN 86 HA GLN 86 -18.237 -4.417 -7.516 719 HB2 GLN 86 2HB GLN 86 -16.215 -5.541 -6.491 720 HB3 GLN 86 3HB GLN 86 -16.715 -6.152 -8.062 721 HG2 GLN 86 2HG GLN 86 -14.923 -5.092 -9.159 722 HG3 GLN 86 3HG GLN 86 -14.551 -4.098 -7.753 723 HE21 GLN 86 1HE2 GLN 86 -12.882 -5.960 -9.308 724 HE22 GLN 86 2HE2 GLN 86 -12.259 -7.091 -8.162 725 H GLN 87 H GLN 87 -15.544 -2.235 -8.029 726 HA GLN 87 HA GLN 87 -14.996 -1.473 -5.417 727 HB2 GLN 87 2HB GLN 87 -14.509 -0.414 -8.079 728 HB3 GLN 87 3HB GLN 87 -14.752 0.869 -6.901 729 HG2 GLN 87 2HG GLN 87 -12.632 0.637 -6.324 730 HG3 GLN 87 3HG GLN 87 -13.047 -0.937 -5.649 731 HE21 GLN 87 1HE2 GLN 87 -11.982 -2.613 -6.413 732 HE22 GLN 87 2HE2 GLN 87 -11.139 -2.684 -7.919 733 H LEU 88 H LEU 88 -17.706 -0.705 -7.440 734 HA LEU 88 HA LEU 88 -18.655 1.631 -6.303 735 HB2 LEU 88 2HB LEU 88 -20.688 1.169 -7.299 736 HB3 LEU 88 3HB LEU 88 -19.551 0.244 -8.279 737 HG LEU 88 HG LEU 88 -20.257 -1.677 -6.573 738 HD11 LEU 88 1HD1 LEU 88 -22.409 0.373 -6.423 739 HD12 LEU 88 2HD1 LEU 88 -21.795 -0.714 -5.179 740 HD13 LEU 88 3HD1 LEU 88 -22.858 -1.332 -6.443 741 HD21 LEU 88 3HD2 LEU 88 -22.347 -1.749 -8.391 742 HD22 LEU 88 1HD2 LEU 88 -20.739 -2.439 -8.607 743 HD23 LEU 88 2HD2 LEU 88 -21.092 -0.820 -9.211 744 H GLU 89 H GLU 89 -18.605 -1.587 -5.009 745 HA GLU 89 HA GLU 89 -20.598 -1.248 -3.021 746 HB2 GLU 89 2HB GLU 89 -19.134 -3.365 -3.945 747 HB3 GLU 89 3HB GLU 89 -18.390 -3.081 -2.378 748 HG2 GLU 89 2HG GLU 89 -20.152 -3.873 -1.260 749 HG3 GLU 89 3HG GLU 89 -21.308 -3.063 -2.315 750 H SER 90 H SER 90 -17.090 -0.797 -3.040 751 HA SER 90 HA SER 90 -16.880 -0.178 -0.272 752 HB2 SER 90 2HB SER 90 -14.794 -0.723 -0.996 753 HB3 SER 90 3HB SER 90 -15.096 -0.132 -2.629 754 HG SER 90 HG SER 90 -13.797 1.403 -1.941 755 H ILE 91 H ILE 91 -17.134 1.790 -3.205 756 HA ILE 91 HA ILE 91 -16.866 4.297 -1.926 757 HB ILE 91 HB ILE 91 -18.398 3.783 -4.471 758 HG12 ILE 91 2HG1 ILE 91 -16.254 2.676 -4.684 759 HG13 ILE 91 3HG1 ILE 91 -16.228 4.159 -5.632 760 HG21 ILE 91 1HG2 ILE 91 -18.556 5.992 -4.591 761 HG22 ILE 91 2HG2 ILE 91 -17.783 6.119 -3.011 762 HG23 ILE 91 3HG2 ILE 91 -16.803 6.145 -4.477 763 HD11 ILE 91 3HD1 ILE 91 -14.142 3.813 -4.426 764 HD12 ILE 91 1HD1 ILE 91 -14.969 5.272 -3.880 765 HD13 ILE 91 2HD1 ILE 91 -15.023 3.808 -2.898 766 H TYR 92 H TYR 92 -19.683 2.330 -2.776 767 HA TYR 92 HA TYR 92 -21.629 4.226 -1.976 768 HB2 TYR 92 2HB TYR 92 -21.939 2.147 -3.451 769 HB3 TYR 92 3HB TYR 92 -22.038 1.241 -1.945 770 HD1 TYR 92 HD1 TYR 92 -23.472 4.456 -3.221 771 HD2 TYR 92 HD2 TYR 92 -24.193 0.700 -1.357 772 HE1 TYR 92 HE1 TYR 92 -25.865 5.004 -3.057 773 HE2 TYR 92 HE2 TYR 92 -26.588 1.237 -1.190 774 HH TYR 92 HH TYR 92 -28.038 3.192 -1.157 775 H PHE 93 H PHE 93 -20.016 1.565 -0.305 776 HA PHE 93 HA PHE 93 -21.547 1.653 2.059 777 HB2 PHE 93 2HB PHE 93 -19.898 -0.158 1.263 778 HB3 PHE 93 3HB PHE 93 -18.646 0.855 1.974 779 HD1 PHE 93 HD2 PHE 93 -19.092 1.587 4.455 780 HD2 PHE 93 HD1 PHE 93 -20.891 -1.772 2.560 781 HE1 PHE 93 HE2 PHE 93 -19.532 0.585 6.658 782 HE2 PHE 93 HE1 PHE 93 -21.336 -2.780 4.761 783 HZ PHE 93 HZ PHE 93 -20.655 -1.601 6.813 784 H ARG 94 H ARG 94 -18.401 3.112 1.264 785 HA ARG 94 HA ARG 94 -18.056 4.427 3.733 786 HB2 ARG 94 2HB ARG 94 -16.294 5.667 2.649 787 HB3 ARG 94 3HB ARG 94 -16.240 4.000 2.090 788 HG2 ARG 94 2HG ARG 94 -17.289 4.614 0.011 789 HG3 ARG 94 3HG ARG 94 -17.504 6.273 0.575 790 HD2 ARG 94 2HD ARG 94 -15.031 6.459 0.772 791 HD3 ARG 94 3HD ARG 94 -14.895 4.856 0.050 792 HE ARG 94 HE ARG 94 -15.210 5.822 -1.987 793 HH11 ARG 94 1HH1 ARG 94 -16.503 7.945 0.450 794 HH12 ARG 94 2HH1 ARG 94 -16.890 9.209 -0.670 795 HH21 ARG 94 1HH2 ARG 94 -15.714 7.479 -3.472 796 HH22 ARG 94 2HH2 ARG 94 -16.441 8.942 -2.900 797 H ILE 95 H ILE 95 -19.698 5.328 0.770 798 HA ILE 95 HA ILE 95 -20.088 8.068 1.514 799 HB ILE 95 HB ILE 95 -21.274 6.340 -0.645 800 HG12 ILE 95 2HG1 ILE 95 -19.652 8.866 -0.912 801 HG13 ILE 95 3HG1 ILE 95 -18.891 7.288 -0.734 802 HG21 ILE 95 1HG2 ILE 95 -22.020 9.133 0.160 803 HG22 ILE 95 2HG2 ILE 95 -22.234 8.554 -1.492 804 HG23 ILE 95 3HG2 ILE 95 -23.074 7.756 -0.162 805 HD11 ILE 95 3HD1 ILE 95 -19.035 7.992 -3.067 806 HD12 ILE 95 1HD1 ILE 95 -19.959 6.520 -2.766 807 HD13 ILE 95 2HD1 ILE 95 -20.792 8.066 -2.932 808 H LEU 96 H LEU 96 -21.766 5.083 2.057 809 HA LEU 96 HA LEU 96 -24.203 6.416 2.917 810 HB2 LEU 96 2HB LEU 96 -23.374 3.647 2.333 811 HB3 LEU 96 3HB LEU 96 -24.573 3.836 3.610 812 HG LEU 96 HG LEU 96 -26.035 5.033 2.023 813 HD11 LEU 96 1HD1 LEU 96 -24.235 4.145 -0.195 814 HD12 LEU 96 2HD1 LEU 96 -23.998 5.710 0.582 815 HD13 LEU 96 3HD1 LEU 96 -25.528 5.344 -0.214 816 HD21 LEU 96 3HD2 LEU 96 -25.155 2.345 0.978 817 HD22 LEU 96 1HD2 LEU 96 -26.741 3.096 0.794 818 HD23 LEU 96 2HD2 LEU 96 -26.190 2.579 2.388 819 H LEU 97 H LEU 97 -21.246 5.484 4.251 820 HA LEU 97 HA LEU 97 -21.710 4.542 6.756 821 HB2 LEU 97 2HB LEU 97 -19.736 6.516 5.700 822 HB3 LEU 97 3HB LEU 97 -19.789 6.184 7.430 823 HG LEU 97 HG LEU 97 -19.313 4.114 5.287 824 HD11 LEU 97 1HD1 LEU 97 -17.054 4.287 5.634 825 HD12 LEU 97 2HD1 LEU 97 -17.242 5.005 7.234 826 HD13 LEU 97 3HD1 LEU 97 -17.540 5.975 5.792 827 HD21 LEU 97 3HD2 LEU 97 -20.352 3.187 7.275 828 HD22 LEU 97 1HD2 LEU 97 -19.147 3.972 8.296 829 HD23 LEU 97 2HD2 LEU 97 -18.661 2.693 7.182 830 HA PRO 98 HA PRO 98 -24.023 7.445 9.095 831 HB2 PRO 98 2HB PRO 98 -22.880 7.227 11.548 832 HB3 PRO 98 3HB PRO 98 -23.905 5.967 10.850 833 HG2 PRO 98 2HG PRO 98 -20.918 6.134 10.961 834 HG3 PRO 98 3HG PRO 98 -21.972 4.739 11.256 835 HD2 PRO 98 2HD PRO 98 -20.663 5.105 8.914 836 HD3 PRO 98 3HD PRO 98 -22.249 4.312 9.008 837 H TYR 99 H TYR 99 -20.534 7.681 9.804 838 HA TYR 99 HA TYR 99 -20.671 10.411 10.601 839 HB2 TYR 99 2HB TYR 99 -18.200 8.960 9.655 840 HB3 TYR 99 3HB TYR 99 -18.294 10.323 10.766 841 HD1 TYR 99 HD1 TYR 99 -20.389 9.482 12.628 842 HD2 TYR 99 HD2 TYR 99 -17.248 7.219 10.863 843 HE1 TYR 99 HE1 TYR 99 -20.445 7.929 14.534 844 HE2 TYR 99 HE2 TYR 99 -17.296 5.659 12.764 845 HH TYR 99 HH TYR 99 -18.510 4.992 14.569 846 H GLU 100 H GLU 100 -19.844 8.758 7.594 847 HA GLU 100 HA GLU 100 -18.928 11.029 6.190 848 HB2 GLU 100 2HB GLU 100 -18.421 8.798 5.399 849 HB3 GLU 100 3HB GLU 100 -20.130 8.443 5.190 850 HG2 GLU 100 2HG GLU 100 -20.132 9.297 3.150 851 HG3 GLU 100 3HG GLU 100 -19.403 10.800 3.714 852 H ARG 101 H ARG 101 -22.107 9.439 6.283 853 HA ARG 101 HA ARG 101 -23.356 11.301 4.536 854 HB2 ARG 101 2HB ARG 101 -25.382 10.183 5.025 855 HB3 ARG 101 3HB ARG 101 -24.136 8.943 5.069 856 HG2 ARG 101 2HG ARG 101 -24.081 9.192 7.551 857 HG3 ARG 101 3HG ARG 101 -25.475 10.266 7.414 858 HD2 ARG 101 2HD ARG 101 -25.893 7.818 5.942 859 HD3 ARG 101 3HD ARG 101 -25.500 7.485 7.628 860 HE ARG 101 HE ARG 101 -27.473 9.526 7.379 861 HH11 ARG 101 1HH1 ARG 101 -26.984 6.081 7.293 862 HH12 ARG 101 2HH1 ARG 101 -28.608 5.707 7.766 863 HH21 ARG 101 1HH2 ARG 101 -29.615 9.047 8.001 864 HH22 ARG 101 2HH2 ARG 101 -30.104 7.395 8.167 865 H HIS 102 H HIS 102 -22.880 11.139 7.999 866 HA HIS 102 HA HIS 102 -24.766 13.118 8.730 867 HB2 HIS 102 2HB HIS 102 -23.928 11.631 10.418 868 HB3 HIS 102 3HB HIS 102 -22.266 12.120 10.101 869 HD1 HIS 102 HD1 HIS 102 -21.368 13.849 11.627 870 HD2 HIS 102 HD2 HIS 102 -25.520 13.903 11.497 871 HE1 HIS 102 HE1 HIS 102 -22.071 15.562 13.328 872 H MET 103 H MET 103 -21.282 13.269 8.058 873 HA MET 103 HA MET 103 -20.906 15.982 8.611 874 HB2 MET 103 2HB MET 103 -19.466 13.913 7.052 875 HB3 MET 103 3HB MET 103 -19.078 15.586 6.675 876 HG2 MET 103 2HG MET 103 -18.970 14.392 9.434 877 HG3 MET 103 3HG MET 103 -17.585 14.559 8.357 878 HE1 MET 103 3HE MET 103 -15.990 17.251 9.500 879 HE2 MET 103 1HE MET 103 -16.698 16.685 11.013 880 HE3 MET 103 2HE MET 103 -16.255 15.526 9.759 881 H ILE 104 H ILE 104 -21.792 14.358 5.585 882 HA ILE 104 HA ILE 104 -21.959 16.835 4.127 883 HB ILE 104 HB ILE 104 -22.727 15.515 2.260 884 HG12 ILE 104 2HG1 ILE 104 -22.895 13.213 4.217 885 HG13 ILE 104 3HG1 ILE 104 -24.265 14.037 3.480 886 HG21 ILE 104 1HG2 ILE 104 -20.651 14.821 1.879 887 HG22 ILE 104 2HG2 ILE 104 -20.291 15.165 3.570 888 HG23 ILE 104 3HG2 ILE 104 -20.795 13.545 3.088 889 HD11 ILE 104 3HD1 ILE 104 -22.472 11.990 2.384 890 HD12 ILE 104 1HD1 ILE 104 -24.165 12.332 2.031 891 HD13 ILE 104 2HD1 ILE 104 -22.895 13.299 1.280 892 H SER 105 H SER 105 -24.005 15.117 6.214 893 HA SER 105 HA SER 105 -26.520 15.786 5.068 894 HB2 SER 105 2HB SER 105 -25.548 14.533 7.533 895 HB3 SER 105 3HB SER 105 -27.014 15.485 7.763 896 HG SER 105 HG SER 105 -27.890 14.285 5.951 897 H GLN 106 H GLN 106 -24.288 17.433 7.175 898 HA GLN 106 HA GLN 106 -25.989 19.354 8.286 899 HB2 GLN 106 2HB GLN 106 -23.111 18.984 7.963 900 HB3 GLN 106 3HB GLN 106 -23.586 20.677 7.937 901 HG2 GLN 106 2HG GLN 106 -25.004 19.785 10.061 902 HG3 GLN 106 3HG GLN 106 -23.581 18.748 10.145 903 HE21 GLN 106 1HE2 GLN 106 -24.828 21.504 11.285 904 HE22 GLN 106 2HE2 GLN 106 -23.383 22.399 11.595 905 H GLU 107 H GLU 107 -24.338 19.242 5.179 906 HA GLU 107 HA GLU 107 -25.675 21.760 4.435 907 HB2 GLU 107 2HB GLU 107 -23.072 21.482 4.371 908 HB3 GLU 107 3HB GLU 107 -23.388 20.609 2.879 909 HG2 GLU 107 2HG GLU 107 -23.773 22.478 1.739 910 HG3 GLU 107 3HG GLU 107 -24.793 23.148 3.010 911 H GLY 108 H GLY 108 -26.685 18.925 4.377 912 HA2 GLY 108 2HA GLY 108 -28.030 19.094 1.873 913 HA3 GLY 108 3HA GLY 108 -26.791 17.847 1.833 914 H ILE 109 H ILE 109 -29.066 18.880 4.369 915 HA ILE 109 HA ILE 109 -29.551 16.331 5.372 916 HB ILE 109 HB ILE 109 -31.703 17.326 6.268 917 HG12 ILE 109 2HG1 ILE 109 -30.609 19.900 5.132 918 HG13 ILE 109 3HG1 ILE 109 -31.880 18.975 4.339 919 HG21 ILE 109 1HG2 ILE 109 -29.444 17.352 7.395 920 HG22 ILE 109 2HG2 ILE 109 -29.272 19.009 6.818 921 HG23 ILE 109 3HG2 ILE 109 -30.581 18.592 7.923 922 HD11 ILE 109 3HD1 ILE 109 -32.466 19.462 7.132 923 HD12 ILE 109 1HD1 ILE 109 -32.219 20.953 6.224 924 HD13 ILE 109 2HD1 ILE 109 -33.434 19.789 5.695 925 H LYS 110 H LYS 110 -30.816 17.896 2.564 926 HA LYS 110 HA LYS 110 -33.216 16.527 2.195 927 HB2 LYS 110 2HB LYS 110 -31.496 18.215 0.641 928 HB3 LYS 110 3HB LYS 110 -32.012 16.856 -0.349 929 HG2 LYS 110 2HG LYS 110 -33.544 18.676 -0.643 930 HG3 LYS 110 3HG LYS 110 -34.358 17.373 0.228 931 HD2 LYS 110 2HD LYS 110 -34.892 18.831 1.820 932 HD3 LYS 110 3HD LYS 110 -33.174 19.016 2.181 933 HE2 LYS 110 2HE LYS 110 -33.058 20.754 0.398 934 HE3 LYS 110 3HE LYS 110 -34.808 20.630 0.227 935 HZ1 LYS 110 3HZ LYS 110 -34.603 21.027 2.844 936 HZ2 LYS 110 1HZ LYS 110 -34.762 22.288 1.727 937 HZ3 LYS 110 2HZ LYS 110 -33.235 21.877 2.326 938 H GLU 111 H GLU 111 -29.941 15.461 1.851 939 HA GLU 111 HA GLU 111 -30.515 13.190 0.203 940 HB2 GLU 111 2HB GLU 111 -28.202 14.501 1.137 941 HB3 GLU 111 3HB GLU 111 -28.121 12.862 1.768 942 HG2 GLU 111 2HG GLU 111 -26.994 13.117 -0.400 943 HG3 GLU 111 3HG GLU 111 -28.307 11.942 -0.441 944 H THR 112 H THR 112 -30.604 13.873 3.591 945 HA THR 112 HA THR 112 -30.351 11.263 4.614 946 HB THR 112 HB THR 112 -31.963 13.536 5.790 947 HG1 THR 112 HG1 THR 112 -29.310 12.872 6.508 948 HG21 THR 112 3HG2 THR 112 -32.315 12.234 7.568 949 HG22 THR 112 1HG2 THR 112 -30.611 11.793 7.654 950 HG23 THR 112 2HG2 THR 112 -31.707 10.880 6.617 951 H GLN 113 H GLN 113 -33.242 13.161 3.771 952 HA GLN 113 HA GLN 113 -35.113 11.161 4.435 953 HB2 GLN 113 2HB GLN 113 -35.197 13.629 2.738 954 HB3 GLN 113 3HB GLN 113 -36.558 12.515 2.727 955 HG2 GLN 113 2HG GLN 113 -35.968 12.916 5.420 956 HG3 GLN 113 3HG GLN 113 -35.827 14.505 4.670 957 HE21 GLN 113 1HE2 GLN 113 -37.649 15.388 5.521 958 HE22 GLN 113 2HE2 GLN 113 -39.245 14.847 5.144 959 H ALA 114 H ALA 114 -33.044 11.581 1.718 960 HA ALA 114 HA ALA 114 -34.553 10.026 -0.144 961 HB1 ALA 114 1HB ALA 114 -32.484 10.031 -1.481 962 HB2 ALA 114 2HB ALA 114 -32.939 11.645 -0.935 963 HB3 ALA 114 3HB ALA 114 -31.633 10.778 -0.128 964 H LYS 115 H LYS 115 -32.241 9.323 2.358 965 HA LYS 115 HA LYS 115 -32.435 6.464 1.675 966 HB2 LYS 115 2HB LYS 115 -30.137 7.789 1.422 967 HB3 LYS 115 3HB LYS 115 -30.045 7.459 3.147 968 HG2 LYS 115 2HG LYS 115 -30.762 5.152 1.479 969 HG3 LYS 115 3HG LYS 115 -29.140 5.799 1.217 970 HD2 LYS 115 2HD LYS 115 -28.404 4.980 3.160 971 HD3 LYS 115 3HD LYS 115 -29.800 5.610 4.038 972 HE2 LYS 115 2HE LYS 115 -31.054 3.687 3.667 973 HE3 LYS 115 3HE LYS 115 -30.058 3.182 2.303 974 HZ1 LYS 115 3HZ LYS 115 -28.825 1.977 3.669 975 HZ2 LYS 115 1HZ LYS 115 -29.830 2.401 4.963 976 HZ3 LYS 115 2HZ LYS 115 -28.461 3.331 4.615 977 H ARG 116 H ARG 116 -33.686 5.528 3.150 978 HA ARG 116 HA ARG 116 -34.678 5.001 5.131 979 HB2 ARG 116 2HB ARG 116 -31.884 4.877 5.465 980 HB3 ARG 116 3HB ARG 116 -32.513 5.640 6.919 981 HG2 ARG 116 2HG ARG 116 -32.362 3.253 7.229 982 HG3 ARG 116 3HG ARG 116 -34.054 3.754 7.224 983 HD2 ARG 116 2HD ARG 116 -34.509 2.448 5.481 984 HD3 ARG 116 3HD ARG 116 -33.160 3.113 4.560 985 HE ARG 116 HE ARG 116 -31.926 1.266 5.107 986 HH11 ARG 116 1HH1 ARG 116 -34.682 1.462 7.226 987 HH12 ARG 116 2HH1 ARG 116 -34.403 -0.090 7.945 988 HH21 ARG 116 1HH2 ARG 116 -31.549 -0.778 6.047 989 HH22 ARG 116 2HH2 ARG 116 -32.620 -1.362 7.274 Start of MODEL 16 1 H1 GLN 1 H GLN 1 4.759 3.603 -6.592 2 HA GLN 1 HA GLN 1 2.941 4.862 -5.982 3 HB2 GLN 1 2HB GLN 1 3.810 3.288 -3.619 4 HB3 GLN 1 3HB GLN 1 2.583 4.518 -3.348 5 HG2 GLN 1 2HG GLN 1 0.993 3.358 -4.420 6 HG3 GLN 1 3HG GLN 1 2.103 2.778 -5.661 7 HE21 GLN 1 1HE2 GLN 1 0.198 1.850 -3.161 8 HE22 GLN 1 2HE2 GLN 1 0.954 0.350 -2.757 9 H SER 2 H SER 2 3.140 7.005 -6.183 10 HA SER 2 HA SER 2 4.732 8.490 -4.224 11 HB2 SER 2 2HB SER 2 4.789 8.754 -6.864 12 HB3 SER 2 3HB SER 2 3.427 9.830 -6.553 13 HG SER 2 HG SER 2 6.106 10.061 -5.740 14 H LEU 3 H LEU 3 2.421 7.466 -3.167 15 HA LEU 3 HA LEU 3 0.708 8.126 -1.815 16 HB2 LEU 3 2HB LEU 3 1.053 10.953 -2.743 17 HB3 LEU 3 3HB LEU 3 0.468 10.362 -1.189 18 HG LEU 3 HG LEU 3 3.315 10.400 -2.178 19 HD11 LEU 3 1HD1 LEU 3 1.686 12.141 -0.526 20 HD12 LEU 3 2HD1 LEU 3 3.269 12.421 -1.248 21 HD13 LEU 3 3HD1 LEU 3 3.142 11.594 0.304 22 HD21 LEU 3 3HD2 LEU 3 3.898 9.424 0.000 23 HD22 LEU 3 1HD2 LEU 3 2.926 8.326 -0.980 24 HD23 LEU 3 2HD2 LEU 3 2.183 9.210 0.353 25 H ASN 4 H ASN 4 0.515 10.443 -4.521 26 HA ASN 4 HA ASN 4 -2.208 9.459 -5.043 27 HB2 ASN 4 2HB ASN 4 -2.281 11.710 -6.389 28 HB3 ASN 4 3HB ASN 4 -2.460 11.726 -4.637 29 HD21 ASN 4 1HD2 ASN 4 -0.130 12.131 -7.245 30 HD22 ASN 4 2HD2 ASN 4 0.910 13.215 -6.391 31 HA PRO 5 HA PRO 5 -1.136 7.929 -9.013 32 HB2 PRO 5 2HB PRO 5 -3.314 8.596 -10.490 33 HB3 PRO 5 3HB PRO 5 -3.338 7.324 -9.263 34 HG2 PRO 5 2HG PRO 5 -4.276 10.160 -9.069 35 HG3 PRO 5 3HG PRO 5 -5.053 8.681 -8.473 36 HD2 PRO 5 2HD PRO 5 -3.652 10.343 -6.859 37 HD3 PRO 5 3HD PRO 5 -3.721 8.589 -6.594 38 H ALA 6 H ALA 6 -2.113 11.294 -8.798 39 HA ALA 6 HA ALA 6 -1.518 13.157 -9.964 40 HB1 ALA 6 1HB ALA 6 0.779 13.154 -10.941 41 HB2 ALA 6 2HB ALA 6 0.704 12.640 -9.254 42 HB3 ALA 6 3HB ALA 6 0.891 11.441 -10.534 43 H LEU 7 H LEU 7 -3.066 10.995 -11.307 44 HA LEU 7 HA LEU 7 -2.328 11.492 -14.108 45 HB2 LEU 7 2HB LEU 7 -3.192 9.183 -12.725 46 HB3 LEU 7 3HB LEU 7 -4.478 9.632 -13.843 47 HG LEU 7 HG LEU 7 -2.963 7.987 -14.823 48 HD11 LEU 7 1HD1 LEU 7 -4.087 9.702 -16.226 49 HD12 LEU 7 2HD1 LEU 7 -2.582 9.091 -16.913 50 HD13 LEU 7 3HD1 LEU 7 -2.618 10.675 -16.138 51 HD21 LEU 7 3HD2 LEU 7 -0.825 10.100 -14.605 52 HD22 LEU 7 1HD2 LEU 7 -0.660 8.476 -15.273 53 HD23 LEU 7 2HD2 LEU 7 -0.949 8.694 -13.546 54 H GLN 8 H GLN 8 -5.079 11.538 -11.874 55 HA GLN 8 HA GLN 8 -6.303 13.627 -13.507 56 HB2 GLN 8 2HB GLN 8 -7.716 11.089 -12.675 57 HB3 GLN 8 3HB GLN 8 -8.529 12.510 -13.316 58 HG2 GLN 8 2HG GLN 8 -7.109 12.271 -15.371 59 HG3 GLN 8 3HG GLN 8 -6.576 10.718 -14.729 60 HE21 GLN 8 1HE2 GLN 8 -8.375 9.209 -14.127 61 HE22 GLN 8 2HE2 GLN 8 -9.730 9.134 -15.196 62 H GLU 9 H GLU 9 -4.946 13.558 -10.922 63 HA GLU 9 HA GLU 9 -7.123 14.081 -9.038 64 HB2 GLU 9 2HB GLU 9 -5.354 14.158 -7.328 65 HB3 GLU 9 3HB GLU 9 -5.331 12.649 -8.230 66 HG2 GLU 9 2HG GLU 9 -3.170 12.985 -8.559 67 HG3 GLU 9 3HG GLU 9 -3.609 14.315 -9.628 68 H LYS 10 H LYS 10 -7.140 15.948 -10.959 69 HA LYS 10 HA LYS 10 -5.483 18.196 -10.496 70 HB2 LYS 10 2HB LYS 10 -8.022 17.698 -11.989 71 HB3 LYS 10 3HB LYS 10 -7.539 19.362 -11.682 72 HG2 LYS 10 2HG LYS 10 -6.652 18.907 -13.776 73 HG3 LYS 10 3HG LYS 10 -5.280 18.681 -12.690 74 HD2 LYS 10 2HD LYS 10 -5.076 16.536 -13.266 75 HD3 LYS 10 3HD LYS 10 -6.797 16.237 -13.011 76 HE2 LYS 10 2HE LYS 10 -7.341 16.812 -15.208 77 HE3 LYS 10 3HE LYS 10 -5.816 17.659 -15.462 78 HZ1 LYS 10 3HZ LYS 10 -6.371 14.777 -15.518 79 HZ2 LYS 10 1HZ LYS 10 -4.828 15.301 -15.063 80 HZ3 LYS 10 2HZ LYS 10 -5.447 15.715 -16.581 81 H ILE 11 H ILE 11 -5.489 18.609 -8.271 82 HA ILE 11 HA ILE 11 -7.946 19.149 -6.874 83 HB ILE 11 HB ILE 11 -5.986 18.200 -5.711 84 HG12 ILE 11 2HG1 ILE 11 -5.970 20.339 -3.979 85 HG13 ILE 11 3HG1 ILE 11 -7.466 20.590 -4.872 86 HG21 ILE 11 1HG2 ILE 11 -4.734 20.924 -6.000 87 HG22 ILE 11 2HG2 ILE 11 -4.033 19.491 -5.250 88 HG23 ILE 11 3HG2 ILE 11 -4.302 19.532 -6.992 89 HD11 ILE 11 3HD1 ILE 11 -7.944 19.323 -2.909 90 HD12 ILE 11 1HD1 ILE 11 -8.120 18.265 -4.309 91 HD13 ILE 11 2HD1 ILE 11 -6.680 18.155 -3.295 92 H SER 12 H SER 12 -8.937 21.049 -6.604 93 HA SER 12 HA SER 12 -9.416 23.272 -6.715 94 HB2 SER 12 2HB SER 12 -6.474 23.873 -6.927 95 HB3 SER 12 3HB SER 12 -7.745 24.841 -6.180 96 HG SER 12 HG SER 12 -6.171 23.324 -4.899 97 H THR 13 H THR 13 -10.324 24.021 -8.499 98 HA THR 13 HA THR 13 -8.925 23.784 -11.051 99 HB THR 13 HB THR 13 -11.519 24.968 -11.335 100 HG1 THR 13 HG1 THR 13 -12.686 23.113 -10.446 101 HG21 THR 13 3HG2 THR 13 -11.668 23.473 -13.019 102 HG22 THR 13 1HG2 THR 13 -11.163 22.124 -12.002 103 HG23 THR 13 2HG2 THR 13 -9.956 23.209 -12.690 104 H GLU 14 H GLU 14 -11.036 26.289 -9.635 105 HA GLU 14 HA GLU 14 -9.329 28.317 -10.906 106 HB2 GLU 14 2HB GLU 14 -12.141 27.988 -10.800 107 HB3 GLU 14 3HB GLU 14 -11.755 29.420 -9.857 108 HG2 GLU 14 2HG GLU 14 -11.416 30.612 -11.687 109 HG3 GLU 14 3HG GLU 14 -10.270 29.426 -12.310 110 H LEU 15 H LEU 15 -9.461 26.846 -8.078 111 HA LEU 15 HA LEU 15 -8.501 27.378 -6.066 112 HB2 LEU 15 2HB LEU 15 -7.443 29.271 -7.592 113 HB3 LEU 15 3HB LEU 15 -8.505 30.295 -6.628 114 HG LEU 15 HG LEU 15 -7.392 29.474 -4.583 115 HD11 LEU 15 1HD1 LEU 15 -6.211 27.626 -6.481 116 HD12 LEU 15 2HD1 LEU 15 -6.306 27.537 -4.723 117 HD13 LEU 15 3HD1 LEU 15 -4.999 28.439 -5.490 118 HD21 LEU 15 3HD2 LEU 15 -5.044 30.373 -6.023 119 HD22 LEU 15 1HD2 LEU 15 -5.965 31.174 -4.750 120 HD23 LEU 15 2HD2 LEU 15 -6.474 31.321 -6.432 121 H ASN 16 H ASN 16 -11.349 28.609 -7.327 122 HA ASN 16 HA ASN 16 -12.257 29.733 -4.785 123 HB2 ASN 16 2HB ASN 16 -12.719 30.529 -7.359 124 HB3 ASN 16 3HB ASN 16 -14.172 29.595 -7.017 125 HD21 ASN 16 1HD2 ASN 16 -15.721 31.002 -6.606 126 HD22 ASN 16 2HD2 ASN 16 -15.613 32.332 -5.507 127 H ASN 17 H ASN 17 -13.112 27.191 -7.108 128 HA ASN 17 HA ASN 17 -15.212 26.143 -5.458 129 HB2 ASN 17 2HB ASN 17 -15.104 24.219 -7.128 130 HB3 ASN 17 3HB ASN 17 -15.488 25.806 -7.787 131 HD21 ASN 17 1HD2 ASN 17 -14.693 25.718 -9.783 132 HD22 ASN 17 2HD2 ASN 17 -13.054 25.353 -10.187 133 H LYS 18 H LYS 18 -11.813 25.745 -5.646 134 HA LYS 18 HA LYS 18 -11.396 23.151 -4.799 135 HB2 LYS 18 2HB LYS 18 -9.261 23.880 -3.968 136 HB3 LYS 18 3HB LYS 18 -9.621 24.786 -5.432 137 HG2 LYS 18 2HG LYS 18 -8.966 26.534 -4.187 138 HG3 LYS 18 3HG LYS 18 -10.625 26.466 -3.587 139 HD2 LYS 18 2HD LYS 18 -9.166 26.619 -1.699 140 HD3 LYS 18 3HD LYS 18 -9.815 24.979 -1.748 141 HE2 LYS 18 2HE LYS 18 -7.705 24.274 -1.606 142 HE3 LYS 18 3HE LYS 18 -7.512 24.823 -3.271 143 HZ1 LYS 18 3HZ LYS 18 -7.231 26.933 -1.344 144 HZ2 LYS 18 1HZ LYS 18 -6.220 26.502 -2.630 145 HZ3 LYS 18 2HZ LYS 18 -6.083 25.706 -1.144 146 H GLN 19 H GLN 19 -12.390 25.956 -2.935 147 HA GLN 19 HA GLN 19 -12.030 24.838 -0.367 148 HB2 GLN 19 2HB GLN 19 -14.007 26.957 -1.229 149 HB3 GLN 19 3HB GLN 19 -13.485 26.636 0.419 150 HG2 GLN 19 2HG GLN 19 -11.503 27.366 -1.698 151 HG3 GLN 19 3HG GLN 19 -12.441 28.605 -0.865 152 HE21 GLN 19 1HE2 GLN 19 -9.744 28.639 -0.675 153 HE22 GLN 19 2HE2 GLN 19 -9.247 28.186 0.916 154 H TYR 20 H TYR 20 -14.843 24.985 -2.524 155 HA TYR 20 HA TYR 20 -16.602 23.649 -0.735 156 HB2 TYR 20 2HB TYR 20 -16.759 24.018 -3.733 157 HB3 TYR 20 3HB TYR 20 -18.068 23.413 -2.726 158 HD1 TYR 20 HD1 TYR 20 -16.052 26.371 -3.577 159 HD2 TYR 20 HD2 TYR 20 -19.375 24.900 -1.364 160 HE1 TYR 20 HE1 TYR 20 -16.799 28.680 -3.174 161 HE2 TYR 20 HE2 TYR 20 -20.131 27.204 -0.956 162 HH TYR 20 HH TYR 20 -19.634 29.592 -2.428 163 H GLU 21 H GLU 21 -14.639 22.583 -3.485 164 HA GLU 21 HA GLU 21 -15.530 19.902 -3.484 165 HB2 GLU 21 2HB GLU 21 -13.243 21.388 -4.676 166 HB3 GLU 21 3HB GLU 21 -13.115 19.637 -4.587 167 HG2 GLU 21 2HG GLU 21 -14.989 19.321 -5.965 168 HG3 GLU 21 3HG GLU 21 -15.501 20.998 -5.789 169 H LEU 22 H LEU 22 -12.712 21.475 -2.007 170 HA LEU 22 HA LEU 22 -11.605 19.126 -0.894 171 HB2 LEU 22 2HB LEU 22 -10.436 21.317 -1.238 172 HB3 LEU 22 3HB LEU 22 -11.320 21.935 0.155 173 HG LEU 22 HG LEU 22 -9.918 19.488 0.799 174 HD11 LEU 22 1HD1 LEU 22 -7.701 21.028 0.746 175 HD12 LEU 22 2HD1 LEU 22 -8.480 21.527 -0.755 176 HD13 LEU 22 3HD1 LEU 22 -8.102 19.827 -0.482 177 HD21 LEU 22 3HD2 LEU 22 -9.836 22.321 1.824 178 HD22 LEU 22 1HD2 LEU 22 -8.997 20.964 2.576 179 HD23 LEU 22 2HD2 LEU 22 -10.758 20.971 2.486 180 H PHE 23 H PHE 23 -14.042 21.380 0.216 181 HA PHE 23 HA PHE 23 -14.115 20.668 2.924 182 HB2 PHE 23 2HB PHE 23 -15.758 22.181 1.080 183 HB3 PHE 23 3HB PHE 23 -16.754 21.258 2.200 184 HD1 PHE 23 HD2 PHE 23 -15.468 21.319 4.700 185 HD2 PHE 23 HD1 PHE 23 -15.573 24.365 1.729 186 HE1 PHE 23 HE2 PHE 23 -15.092 23.020 6.437 187 HE2 PHE 23 HE1 PHE 23 -15.195 26.072 3.461 188 HZ PHE 23 HZ PHE 23 -14.956 25.400 5.819 189 H MET 24 H MET 24 -15.978 19.404 0.171 190 HA MET 24 HA MET 24 -17.287 17.411 1.766 191 HB2 MET 24 2HB MET 24 -17.448 18.407 -0.950 192 HB3 MET 24 3HB MET 24 -17.494 16.649 -0.916 193 HG2 MET 24 2HG MET 24 -19.726 17.305 -0.802 194 HG3 MET 24 3HG MET 24 -19.298 16.888 0.856 195 HE1 MET 24 3HE MET 24 -21.004 18.875 2.525 196 HE2 MET 24 1HE MET 24 -19.477 17.998 2.627 197 HE3 MET 24 2HE MET 24 -19.516 19.737 2.918 198 H LYS 25 H LYS 25 -14.479 17.534 -0.334 199 HA LYS 25 HA LYS 25 -14.053 14.752 -0.562 200 HB2 LYS 25 2HB LYS 25 -12.997 16.590 -1.957 201 HB3 LYS 25 3HB LYS 25 -11.909 16.876 -0.605 202 HG2 LYS 25 2HG LYS 25 -11.821 14.116 -1.111 203 HG3 LYS 25 3HG LYS 25 -11.744 14.917 -2.682 204 HD2 LYS 25 2HD LYS 25 -9.516 14.849 -2.084 205 HD3 LYS 25 3HD LYS 25 -9.989 16.446 -1.499 206 HE2 LYS 25 2HE LYS 25 -9.892 15.818 0.699 207 HE3 LYS 25 3HE LYS 25 -10.270 14.133 0.348 208 HZ1 LYS 25 3HZ LYS 25 -7.946 14.205 -0.794 209 HZ2 LYS 25 1HZ LYS 25 -8.065 13.998 0.881 210 HZ3 LYS 25 2HZ LYS 25 -7.684 15.517 0.242 211 H SER 26 H SER 26 -12.854 17.166 1.736 212 HA SER 26 HA SER 26 -11.139 15.429 3.156 213 HB2 SER 26 2HB SER 26 -10.952 17.164 4.768 214 HB3 SER 26 3HB SER 26 -11.175 17.981 3.222 215 HG SER 26 HG SER 26 -12.504 18.788 4.972 216 H LEU 27 H LEU 27 -14.553 16.197 3.461 217 HA LEU 27 HA LEU 27 -14.930 14.879 5.959 218 HB2 LEU 27 2HB LEU 27 -16.798 15.807 3.799 219 HB3 LEU 27 3HB LEU 27 -17.376 14.942 5.221 220 HG LEU 27 HG LEU 27 -15.955 17.604 5.219 221 HD11 LEU 27 1HD1 LEU 27 -17.947 18.609 5.203 222 HD12 LEU 27 2HD1 LEU 27 -18.652 17.431 6.309 223 HD13 LEU 27 3HD1 LEU 27 -18.570 17.080 4.583 224 HD21 LEU 27 3HD2 LEU 27 -17.209 17.138 7.671 225 HD22 LEU 27 1HD2 LEU 27 -15.476 17.168 7.343 226 HD23 LEU 27 2HD2 LEU 27 -16.358 15.641 7.286 227 H ILE 28 H ILE 28 -15.623 13.964 2.591 228 HA ILE 28 HA ILE 28 -16.604 11.384 3.202 229 HB ILE 28 HB ILE 28 -15.404 12.441 0.641 230 HG12 ILE 28 2HG1 ILE 28 -17.454 13.595 1.412 231 HG13 ILE 28 3HG1 ILE 28 -17.715 12.700 -0.082 232 HG21 ILE 28 1HG2 ILE 28 -15.431 10.354 -0.115 233 HG22 ILE 28 2HG2 ILE 28 -16.120 9.771 1.399 234 HG23 ILE 28 3HG2 ILE 28 -17.180 10.335 0.108 235 HD11 ILE 28 3HD1 ILE 28 -18.559 11.888 2.687 236 HD12 ILE 28 1HD1 ILE 28 -19.599 12.391 1.355 237 HD13 ILE 28 2HD1 ILE 28 -18.711 10.870 1.256 238 H GLU 29 H GLU 29 -13.412 12.519 2.125 239 HA GLU 29 HA GLU 29 -12.178 9.997 2.026 240 HB2 GLU 29 2HB GLU 29 -10.140 11.143 1.801 241 HB3 GLU 29 3HB GLU 29 -11.332 12.225 1.095 242 HG2 GLU 29 2HG GLU 29 -10.139 13.698 2.353 243 HG3 GLU 29 3HG GLU 29 -11.386 13.237 3.511 244 H ASN 30 H ASN 30 -12.743 12.230 4.663 245 HA ASN 30 HA ASN 30 -10.990 10.969 6.521 246 HB2 ASN 30 2HB ASN 30 -11.584 13.246 6.933 247 HB3 ASN 30 3HB ASN 30 -13.304 12.877 6.867 248 HD21 ASN 30 1HD2 ASN 30 -14.325 12.112 8.651 249 HD22 ASN 30 2HD2 ASN 30 -13.566 11.949 10.194 250 H CYS 31 H CYS 31 -14.540 10.951 6.186 251 HA CYS 31 HA CYS 31 -14.996 9.018 8.183 252 HB2 CYS 31 2HB CYS 31 -16.609 10.088 5.893 253 HB3 CYS 31 3HB CYS 31 -17.200 8.705 6.806 254 HG CYS 31 HG CYS 31 -17.166 10.098 9.270 255 H LYS 32 H LYS 32 -14.754 8.726 4.651 256 HA LYS 32 HA LYS 32 -15.208 5.957 4.512 257 HB2 LYS 32 2HB LYS 32 -14.546 6.092 2.271 258 HB3 LYS 32 3HB LYS 32 -15.171 7.699 2.618 259 HG2 LYS 32 2HG LYS 32 -13.260 8.303 1.577 260 HG3 LYS 32 3HG LYS 32 -12.612 8.130 3.210 261 HD2 LYS 32 2HD LYS 32 -11.158 6.654 2.399 262 HD3 LYS 32 3HD LYS 32 -12.515 5.568 2.088 263 HE2 LYS 32 2HE LYS 32 -12.626 7.291 -0.042 264 HE3 LYS 32 3HE LYS 32 -10.891 7.134 0.230 265 HZ1 LYS 32 3HZ LYS 32 -11.420 5.416 -1.228 266 HZ2 LYS 32 1HZ LYS 32 -12.847 5.015 -0.413 267 HZ3 LYS 32 2HZ LYS 32 -11.347 4.646 0.277 268 H LYS 33 H LYS 33 -12.366 7.819 5.272 269 HA LYS 33 HA LYS 33 -10.388 5.890 4.820 270 HB2 LYS 33 2HB LYS 33 -10.615 8.424 6.251 271 HB3 LYS 33 3HB LYS 33 -9.503 7.306 7.030 272 HG2 LYS 33 2HG LYS 33 -9.096 7.402 4.167 273 HG3 LYS 33 3HG LYS 33 -8.943 8.994 4.914 274 HD2 LYS 33 2HD LYS 33 -7.623 6.912 6.454 275 HD3 LYS 33 3HD LYS 33 -6.993 7.035 4.810 276 HE2 LYS 33 2HE LYS 33 -6.043 9.035 5.196 277 HE3 LYS 33 3HE LYS 33 -7.411 9.610 6.148 278 HZ1 LYS 33 3HZ LYS 33 -4.931 8.578 7.041 279 HZ2 LYS 33 1HZ LYS 33 -6.199 7.644 7.660 280 HZ3 LYS 33 2HZ LYS 33 -6.164 9.312 7.937 281 H ARG 34 H ARG 34 -12.858 6.024 7.170 282 HA ARG 34 HA ARG 34 -11.528 4.436 9.162 283 HB2 ARG 34 2HB ARG 34 -13.693 6.075 9.223 284 HB3 ARG 34 3HB ARG 34 -14.478 4.504 9.145 285 HG2 ARG 34 2HG ARG 34 -14.023 4.074 11.275 286 HG3 ARG 34 3HG ARG 34 -12.329 4.528 11.080 287 HD2 ARG 34 2HD ARG 34 -12.769 6.787 11.537 288 HD3 ARG 34 3HD ARG 34 -14.502 6.589 11.280 289 HE ARG 34 HE ARG 34 -13.640 4.978 13.437 290 HH11 ARG 34 1HH1 ARG 34 -14.263 8.294 12.579 291 HH12 ARG 34 2HH1 ARG 34 -14.645 8.778 14.198 292 HH21 ARG 34 1HH2 ARG 34 -14.141 5.602 15.573 293 HH22 ARG 34 2HH2 ARG 34 -14.574 7.246 15.900 294 H ASN 35 H ASN 35 -12.651 3.715 6.158 295 HA ASN 35 HA ASN 35 -13.032 0.893 6.883 296 HB2 ASN 35 2HB ASN 35 -14.896 2.668 5.453 297 HB3 ASN 35 3HB ASN 35 -14.603 1.124 4.659 298 HD21 ASN 35 1HD2 ASN 35 -15.697 2.654 7.614 299 HD22 ASN 35 2HD2 ASN 35 -16.619 1.311 8.191 300 H MET 36 H MET 36 -12.535 3.119 4.145 301 HA MET 36 HA MET 36 -10.515 1.248 3.113 302 HB2 MET 36 2HB MET 36 -12.533 0.988 1.766 303 HB3 MET 36 3HB MET 36 -12.593 2.723 1.485 304 HG2 MET 36 2HG MET 36 -11.379 2.438 -0.334 305 HG3 MET 36 3HG MET 36 -10.043 1.884 0.673 306 HE1 MET 36 3HE MET 36 -9.385 0.605 -1.743 307 HE2 MET 36 1HE MET 36 -8.839 -0.055 -0.201 308 HE3 MET 36 2HE MET 36 -9.487 -1.130 -1.440 309 HA PRO 37 HA PRO 37 -8.767 5.514 3.606 310 HB2 PRO 37 2HB PRO 37 -6.435 4.677 4.717 311 HB3 PRO 37 3HB PRO 37 -7.895 4.985 5.665 312 HG2 PRO 37 2HG PRO 37 -6.793 2.383 4.676 313 HG3 PRO 37 3HG PRO 37 -7.484 2.775 6.262 314 HD2 PRO 37 2HD PRO 37 -8.888 1.484 4.341 315 HD3 PRO 37 3HD PRO 37 -9.652 2.585 5.505 316 H LEU 38 H LEU 38 -6.900 6.435 2.569 317 HA LEU 38 HA LEU 38 -5.865 4.751 0.385 318 HB2 LEU 38 2HB LEU 38 -7.086 7.333 0.401 319 HB3 LEU 38 3HB LEU 38 -5.429 7.486 -0.179 320 HG LEU 38 HG LEU 38 -6.917 7.228 -2.052 321 HD11 LEU 38 1HD1 LEU 38 -5.938 5.252 -3.108 322 HD12 LEU 38 2HD1 LEU 38 -5.364 4.695 -1.537 323 HD13 LEU 38 3HD1 LEU 38 -4.726 6.185 -2.232 324 HD21 LEU 38 3HD2 LEU 38 -8.683 6.019 -0.697 325 HD22 LEU 38 1HD2 LEU 38 -7.747 4.549 -0.967 326 HD23 LEU 38 2HD2 LEU 38 -8.419 5.430 -2.339 327 H GLN 39 H GLN 39 -3.816 6.310 -0.516 328 HA GLN 39 HA GLN 39 -1.774 5.744 1.396 329 HB2 GLN 39 2HB GLN 39 -1.669 7.189 -1.256 330 HB3 GLN 39 3HB GLN 39 -0.255 6.750 -0.306 331 HG2 GLN 39 2HG GLN 39 -2.192 4.945 -1.711 332 HG3 GLN 39 3HG GLN 39 -0.452 5.095 -1.951 333 HE21 GLN 39 1HE2 GLN 39 -2.510 2.943 -1.027 334 HE22 GLN 39 2HE2 GLN 39 -1.693 2.189 0.294 335 H SER 40 H SER 40 -3.310 8.685 0.191 336 HA SER 40 HA SER 40 -2.606 10.110 2.579 337 HB2 SER 40 2HB SER 40 -1.271 10.798 -0.039 338 HB3 SER 40 3HB SER 40 -1.446 11.972 1.266 339 HG SER 40 HG SER 40 0.411 11.096 1.822 340 H ILE 41 H ILE 41 -3.156 11.270 -0.733 341 HA ILE 41 HA ILE 41 -5.702 12.429 0.197 342 HB ILE 41 HB ILE 41 -5.375 14.065 -1.718 343 HG12 ILE 41 2HG1 ILE 41 -2.461 13.736 -1.580 344 HG13 ILE 41 3HG1 ILE 41 -3.287 12.407 -2.386 345 HG21 ILE 41 1HG2 ILE 41 -3.594 14.027 0.700 346 HG22 ILE 41 2HG2 ILE 41 -3.665 15.406 -0.394 347 HG23 ILE 41 3HG2 ILE 41 -5.115 14.889 0.467 348 HD11 ILE 41 3HD1 ILE 41 -3.886 13.675 -4.153 349 HD12 ILE 41 1HD1 ILE 41 -4.075 15.137 -3.185 350 HD13 ILE 41 2HD1 ILE 41 -2.465 14.593 -3.658 351 HA PRO 42 HA PRO 42 -7.115 9.384 -2.861 352 HB2 PRO 42 2HB PRO 42 -9.646 9.276 -1.885 353 HB3 PRO 42 3HB PRO 42 -8.305 8.364 -1.182 354 HG2 PRO 42 2HG PRO 42 -9.511 10.953 -0.285 355 HG3 PRO 42 3HG PRO 42 -9.008 9.557 0.686 356 HD2 PRO 42 2HD PRO 42 -7.488 11.785 0.440 357 HD3 PRO 42 3HD PRO 42 -6.785 10.167 0.639 358 H GLU 43 H GLU 43 -7.342 10.349 -4.797 359 HA GLU 43 HA GLU 43 -9.753 11.874 -5.304 360 HB2 GLU 43 2HB GLU 43 -8.065 13.575 -4.624 361 HB3 GLU 43 3HB GLU 43 -7.048 13.053 -5.959 362 HG2 GLU 43 2HG GLU 43 -8.833 13.690 -7.532 363 HG3 GLU 43 3HG GLU 43 -9.785 14.284 -6.173 364 H ILE 44 H ILE 44 -10.462 11.711 -7.396 365 HA ILE 44 HA ILE 44 -8.712 10.634 -9.448 366 HB ILE 44 HB ILE 44 -11.142 9.135 -8.471 367 HG12 ILE 44 2HG1 ILE 44 -9.013 8.693 -7.286 368 HG13 ILE 44 3HG1 ILE 44 -9.585 7.286 -8.176 369 HG21 ILE 44 1HG2 ILE 44 -9.976 9.300 -11.127 370 HG22 ILE 44 2HG2 ILE 44 -10.016 7.650 -10.506 371 HG23 ILE 44 3HG2 ILE 44 -11.504 8.592 -10.604 372 HD11 ILE 44 3HD1 ILE 44 -7.847 8.852 -9.829 373 HD12 ILE 44 1HD1 ILE 44 -7.063 8.480 -8.294 374 HD13 ILE 44 2HD1 ILE 44 -7.689 7.176 -9.304 375 H GLY 45 H GLY 45 -9.184 11.497 -11.371 376 HA2 GLY 45 2HA GLY 45 -10.571 12.238 -13.116 377 HA3 GLY 45 3HA GLY 45 -11.925 12.273 -11.997 378 H ASN 46 H ASN 46 -12.037 14.042 -10.463 379 HA ASN 46 HA ASN 46 -10.343 16.262 -10.477 380 HB2 ASN 46 2HB ASN 46 -11.795 16.127 -12.847 381 HB3 ASN 46 3HB ASN 46 -12.686 17.287 -11.866 382 HD21 ASN 46 1HD2 ASN 46 -10.542 17.172 -14.201 383 HD22 ASN 46 2HD2 ASN 46 -9.556 18.541 -13.829 384 H ARG 47 H ARG 47 -12.024 14.641 -8.738 385 HA ARG 47 HA ARG 47 -13.320 14.883 -6.885 386 HB2 ARG 47 2HB ARG 47 -11.907 17.321 -7.176 387 HB3 ARG 47 3HB ARG 47 -13.552 17.734 -6.712 388 HG2 ARG 47 2HG ARG 47 -13.006 17.303 -4.612 389 HG3 ARG 47 3HG ARG 47 -12.809 15.606 -5.054 390 HD2 ARG 47 2HD ARG 47 -10.642 15.771 -4.602 391 HD3 ARG 47 3HD ARG 47 -10.483 16.943 -5.909 392 HE ARG 47 HE ARG 47 -10.541 17.488 -3.080 393 HH11 ARG 47 1HH1 ARG 47 -11.003 18.785 -6.277 394 HH12 ARG 47 2HH1 ARG 47 -10.724 20.425 -5.793 395 HH21 ARG 47 1HH2 ARG 47 -10.172 19.643 -2.431 396 HH22 ARG 47 2HH2 ARG 47 -10.250 20.912 -3.605 397 H LYS 48 H LYS 48 -15.355 14.265 -7.221 398 HA LYS 48 HA LYS 48 -17.255 16.253 -8.242 399 HB2 LYS 48 2HB LYS 48 -16.914 13.424 -9.221 400 HB3 LYS 48 3HB LYS 48 -18.419 14.309 -9.434 401 HG2 LYS 48 2HG LYS 48 -17.556 15.676 -11.022 402 HG3 LYS 48 3HG LYS 48 -15.934 15.645 -10.326 403 HD2 LYS 48 2HD LYS 48 -16.275 13.046 -11.106 404 HD3 LYS 48 3HD LYS 48 -17.143 13.927 -12.365 405 HE2 LYS 48 2HE LYS 48 -14.462 14.923 -11.563 406 HE3 LYS 48 3HE LYS 48 -14.538 13.444 -12.518 407 HZ1 LYS 48 3HZ LYS 48 -14.365 15.641 -13.758 408 HZ2 LYS 48 1HZ LYS 48 -15.987 15.884 -13.341 409 HZ3 LYS 48 2HZ LYS 48 -15.548 14.551 -14.284 410 H ILE 49 H ILE 49 -16.408 14.636 -5.671 411 HA ILE 49 HA ILE 49 -18.932 13.412 -4.945 412 HB ILE 49 HB ILE 49 -16.620 13.909 -3.084 413 HG12 ILE 49 2HG1 ILE 49 -16.397 11.286 -3.948 414 HG13 ILE 49 3HG1 ILE 49 -16.745 12.172 -5.429 415 HG21 ILE 49 1HG2 ILE 49 -18.956 12.030 -3.148 416 HG22 ILE 49 2HG2 ILE 49 -17.529 11.692 -2.169 417 HG23 ILE 49 3HG2 ILE 49 -18.471 13.155 -1.879 418 HD11 ILE 49 3HD1 ILE 49 -14.781 13.328 -5.360 419 HD12 ILE 49 1HD1 ILE 49 -14.652 13.225 -3.605 420 HD13 ILE 49 2HD1 ILE 49 -14.288 11.815 -4.600 421 H ASN 50 H ASN 50 -17.957 16.509 -5.155 422 HA ASN 50 HA ASN 50 -18.848 17.553 -2.644 423 HB2 ASN 50 2HB ASN 50 -17.207 18.721 -4.107 424 HB3 ASN 50 3HB ASN 50 -18.492 19.000 -5.278 425 HD21 ASN 50 1HD2 ASN 50 -18.658 21.158 -5.201 426 HD22 ASN 50 2HD2 ASN 50 -19.063 22.062 -3.785 427 H LEU 51 H LEU 51 -20.723 18.844 -2.282 428 HA LEU 51 HA LEU 51 -23.088 17.739 -3.421 429 HB2 LEU 51 2HB LEU 51 -22.423 19.172 -1.125 430 HB3 LEU 51 3HB LEU 51 -23.516 20.228 -2.017 431 HG LEU 51 HG LEU 51 -24.782 18.944 -0.434 432 HD11 LEU 51 1HD1 LEU 51 -25.893 19.369 -2.526 433 HD12 LEU 51 2HD1 LEU 51 -26.330 17.758 -1.956 434 HD13 LEU 51 3HD1 LEU 51 -25.150 17.944 -3.254 435 HD21 LEU 51 3HD2 LEU 51 -24.764 16.328 -1.158 436 HD22 LEU 51 1HD2 LEU 51 -23.833 17.004 0.178 437 HD23 LEU 51 2HD2 LEU 51 -23.071 16.761 -1.394 438 H PHE 52 H PHE 52 -21.080 20.409 -4.206 439 HA PHE 52 HA PHE 52 -23.159 21.678 -5.825 440 HB2 PHE 52 2HB PHE 52 -20.989 22.680 -4.357 441 HB3 PHE 52 3HB PHE 52 -20.548 22.903 -6.047 442 HD1 PHE 52 HD1 PHE 52 -22.942 23.583 -7.405 443 HD2 PHE 52 HD2 PHE 52 -21.736 24.653 -3.466 444 HE1 PHE 52 HE1 PHE 52 -24.371 25.583 -7.515 445 HE2 PHE 52 HE2 PHE 52 -23.163 26.654 -3.569 446 HZ PHE 52 HZ PHE 52 -24.483 27.122 -5.595 447 H TYR 53 H TYR 53 -20.131 19.931 -6.113 448 HA TYR 53 HA TYR 53 -19.832 20.340 -8.922 449 HB2 TYR 53 2HB TYR 53 -18.068 19.626 -7.121 450 HB3 TYR 53 3HB TYR 53 -18.629 17.998 -7.488 451 HD1 TYR 53 HD1 TYR 53 -18.926 17.759 -10.250 452 HD2 TYR 53 HD2 TYR 53 -16.088 20.147 -8.166 453 HE1 TYR 53 HE1 TYR 53 -17.435 17.683 -12.205 454 HE2 TYR 53 HE2 TYR 53 -14.590 20.078 -10.115 455 HH TYR 53 HH TYR 53 -15.572 18.517 -13.133 456 H LEU 54 H LEU 54 -20.888 17.557 -6.966 457 HA LEU 54 HA LEU 54 -21.521 15.869 -9.114 458 HB2 LEU 54 2HB LEU 54 -21.404 15.531 -6.472 459 HB3 LEU 54 3HB LEU 54 -23.149 15.708 -6.641 460 HG LEU 54 HG LEU 54 -21.614 13.707 -8.270 461 HD11 LEU 54 1HD1 LEU 54 -21.367 13.565 -5.654 462 HD12 LEU 54 2HD1 LEU 54 -21.661 12.123 -6.625 463 HD13 LEU 54 3HD1 LEU 54 -22.994 12.893 -5.764 464 HD21 LEU 54 3HD2 LEU 54 -24.438 14.365 -7.722 465 HD22 LEU 54 1HD2 LEU 54 -24.035 12.649 -7.781 466 HD23 LEU 54 2HD2 LEU 54 -23.687 13.684 -9.166 467 H TYR 55 H TYR 55 -23.319 18.432 -7.559 468 HA TYR 55 HA TYR 55 -25.839 17.772 -8.740 469 HB2 TYR 55 2HB TYR 55 -25.549 19.110 -6.634 470 HB3 TYR 55 3HB TYR 55 -24.962 20.442 -7.625 471 HD1 TYR 55 HD1 TYR 55 -27.875 18.087 -7.647 472 HD2 TYR 55 HD2 TYR 55 -26.502 22.095 -8.047 473 HE1 TYR 55 HE1 TYR 55 -30.191 18.839 -7.995 474 HE2 TYR 55 HE2 TYR 55 -28.814 22.858 -8.395 475 HH TYR 55 HH TYR 55 -31.408 21.302 -7.576 476 H MET 56 H MET 56 -23.356 20.227 -9.417 477 HA MET 56 HA MET 56 -24.619 21.432 -11.600 478 HB2 MET 56 2HB MET 56 -22.608 22.305 -10.383 479 HB3 MET 56 3HB MET 56 -21.640 21.101 -11.223 480 HG2 MET 56 2HG MET 56 -22.018 22.115 -13.317 481 HG3 MET 56 3HG MET 56 -23.303 23.133 -12.674 482 HE1 MET 56 3HE MET 56 -21.828 25.267 -10.239 483 HE2 MET 56 1HE MET 56 -22.103 26.126 -11.755 484 HE3 MET 56 2HE MET 56 -23.196 24.832 -11.264 485 H LEU 57 H LEU 57 -22.518 18.605 -11.418 486 HA LEU 57 HA LEU 57 -22.167 18.233 -14.188 487 HB2 LEU 57 2HB LEU 57 -20.929 17.148 -12.221 488 HB3 LEU 57 3HB LEU 57 -22.264 15.997 -12.188 489 HG LEU 57 HG LEU 57 -20.861 16.394 -14.775 490 HD11 LEU 57 1HD1 LEU 57 -19.674 14.909 -12.437 491 HD12 LEU 57 2HD1 LEU 57 -18.978 16.290 -13.285 492 HD13 LEU 57 3HD1 LEU 57 -19.143 14.740 -14.111 493 HD21 LEU 57 3HD2 LEU 57 -22.638 14.867 -14.836 494 HD22 LEU 57 1HD2 LEU 57 -22.179 14.136 -13.297 495 HD23 LEU 57 2HD2 LEU 57 -21.191 13.864 -14.732 496 H VAL 58 H VAL 58 -24.501 16.810 -11.912 497 HA VAL 58 HA VAL 58 -25.854 15.178 -13.732 498 HB VAL 58 HB VAL 58 -26.948 16.561 -11.279 499 HG11 VAL 58 1HG1 VAL 58 -28.053 14.350 -12.992 500 HG12 VAL 58 2HG1 VAL 58 -28.589 14.635 -11.335 501 HG13 VAL 58 3HG1 VAL 58 -28.813 15.882 -12.562 502 HG21 VAL 58 3HG2 VAL 58 -26.356 13.686 -11.218 503 HG22 VAL 58 1HG2 VAL 58 -24.944 14.732 -11.375 504 HG23 VAL 58 2HG2 VAL 58 -26.045 14.936 -10.013 505 H GLN 59 H GLN 59 -26.589 18.502 -12.695 506 HA GLN 59 HA GLN 59 -28.880 18.873 -14.245 507 HB2 GLN 59 2HB GLN 59 -27.751 20.367 -12.399 508 HB3 GLN 59 3HB GLN 59 -26.983 21.139 -13.780 509 HG2 GLN 59 2HG GLN 59 -28.912 22.078 -14.511 510 HG3 GLN 59 3HG GLN 59 -29.915 20.763 -13.900 511 HE21 GLN 59 1HE2 GLN 59 -27.841 23.398 -12.750 512 HE22 GLN 59 2HE2 GLN 59 -28.827 23.814 -11.394 513 H LYS 60 H LYS 60 -25.480 19.170 -15.059 514 HA LYS 60 HA LYS 60 -25.885 20.422 -17.587 515 HB2 LYS 60 2HB LYS 60 -23.689 19.777 -15.970 516 HB3 LYS 60 3HB LYS 60 -23.454 18.858 -17.451 517 HG2 LYS 60 2HG LYS 60 -22.350 21.007 -17.592 518 HG3 LYS 60 3HG LYS 60 -23.670 20.911 -18.761 519 HD2 LYS 60 2HD LYS 60 -24.603 21.963 -16.243 520 HD3 LYS 60 3HD LYS 60 -23.239 22.905 -16.848 521 HE2 LYS 60 2HE LYS 60 -25.440 22.163 -18.719 522 HE3 LYS 60 3HE LYS 60 -25.698 23.474 -17.569 523 HZ1 LYS 60 3HZ LYS 60 -24.710 23.951 -19.914 524 HZ2 LYS 60 1HZ LYS 60 -23.255 23.473 -19.196 525 HZ3 LYS 60 2HZ LYS 60 -24.122 24.779 -18.561 526 H PHE 61 H PHE 61 -25.650 17.096 -16.485 527 HA PHE 61 HA PHE 61 -25.532 15.974 -19.119 528 HB2 PHE 61 2HB PHE 61 -25.781 14.908 -16.346 529 HB3 PHE 61 3HB PHE 61 -26.273 13.866 -17.677 530 HD1 PHE 61 HD2 PHE 61 -23.455 16.258 -17.150 531 HD2 PHE 61 HD1 PHE 61 -24.670 12.304 -18.153 532 HE1 PHE 61 HE2 PHE 61 -21.105 15.634 -17.523 533 HE2 PHE 61 HE1 PHE 61 -22.321 11.673 -18.526 534 HZ PHE 61 HZ PHE 61 -20.535 13.339 -18.212 535 H GLY 62 H GLY 62 -27.983 17.400 -17.353 536 HA2 GLY 62 2HA GLY 62 -30.144 17.745 -18.292 537 HA3 GLY 62 3HA GLY 62 -29.994 16.208 -19.130 538 H GLY 63 H GLY 63 -29.077 16.338 -15.803 539 HA2 GLY 63 2HA GLY 63 -30.373 15.861 -13.882 540 HA3 GLY 63 3HA GLY 63 -31.703 15.384 -14.927 541 H ALA 64 H ALA 64 -30.701 13.921 -12.682 542 HA ALA 64 HA ALA 64 -28.947 11.864 -13.233 543 HB1 ALA 64 1HB ALA 64 -29.780 10.782 -11.365 544 HB2 ALA 64 2HB ALA 64 -30.218 12.463 -11.057 545 HB3 ALA 64 3HB ALA 64 -31.431 11.331 -11.655 546 H ASP 65 H ASP 65 -32.298 12.225 -14.200 547 HA ASP 65 HA ASP 65 -32.757 9.577 -15.048 548 HB2 ASP 65 2HB ASP 65 -34.020 11.992 -16.329 549 HB3 ASP 65 3HB ASP 65 -34.714 10.392 -16.086 550 H GLN 66 H GLN 66 -31.356 12.377 -16.655 551 HA GLN 66 HA GLN 66 -31.273 11.235 -19.253 552 HB2 GLN 66 2HB GLN 66 -30.977 13.726 -18.416 553 HB3 GLN 66 3HB GLN 66 -29.275 13.282 -18.396 554 HG2 GLN 66 2HG GLN 66 -29.113 13.454 -20.600 555 HG3 GLN 66 3HG GLN 66 -30.554 12.471 -20.856 556 HE21 GLN 66 1HE2 GLN 66 -32.539 13.907 -19.801 557 HE22 GLN 66 2HE2 GLN 66 -32.699 15.431 -20.599 558 H VAL 67 H VAL 67 -29.029 11.296 -16.540 559 HA VAL 67 HA VAL 67 -26.809 10.198 -17.913 560 HB VAL 67 HB VAL 67 -27.393 9.937 -14.963 561 HG11 VAL 67 1HG1 VAL 67 -25.346 9.088 -14.765 562 HG12 VAL 67 2HG1 VAL 67 -25.315 8.945 -16.524 563 HG13 VAL 67 3HG1 VAL 67 -24.647 10.378 -15.743 564 HG21 VAL 67 3HG2 VAL 67 -25.648 12.054 -15.290 565 HG22 VAL 67 1HG2 VAL 67 -26.838 12.292 -16.570 566 HG23 VAL 67 2HG2 VAL 67 -27.361 12.168 -14.890 567 H THR 68 H THR 68 -29.531 8.781 -16.199 568 HA THR 68 HA THR 68 -28.470 6.095 -16.419 569 HB THR 68 HB THR 68 -29.798 6.699 -14.447 570 HG1 THR 68 HG1 THR 68 -30.238 4.635 -14.539 571 HG21 THR 68 3HG2 THR 68 -31.314 8.299 -15.570 572 HG22 THR 68 1HG2 THR 68 -32.184 7.107 -14.605 573 HG23 THR 68 2HG2 THR 68 -32.123 6.945 -16.360 574 H ARG 69 H ARG 69 -30.637 8.181 -18.153 575 HA ARG 69 HA ARG 69 -32.177 6.341 -19.555 576 HB2 ARG 69 2HB ARG 69 -32.591 8.754 -19.612 577 HB3 ARG 69 3HB ARG 69 -31.101 8.999 -20.513 578 HG2 ARG 69 2HG ARG 69 -32.678 7.086 -21.901 579 HG3 ARG 69 3HG ARG 69 -33.694 8.473 -21.504 580 HD2 ARG 69 2HD ARG 69 -31.721 9.882 -22.389 581 HD3 ARG 69 3HD ARG 69 -31.182 8.377 -23.134 582 HE ARG 69 HE ARG 69 -33.778 8.591 -23.906 583 HH11 ARG 69 1HH1 ARG 69 -31.008 10.691 -24.096 584 HH12 ARG 69 2HH1 ARG 69 -31.533 11.467 -25.553 585 HH21 ARG 69 1HH2 ARG 69 -34.480 9.605 -25.824 586 HH22 ARG 69 2HH2 ARG 69 -33.508 10.849 -26.535 587 H THR 70 H THR 70 -28.926 7.549 -20.221 588 HA THR 70 HA THR 70 -28.727 5.712 -22.506 589 HB THR 70 HB THR 70 -26.401 7.082 -22.610 590 HG1 THR 70 HG1 THR 70 -26.945 9.289 -22.107 591 HG21 THR 70 3HG2 THR 70 -27.458 7.231 -24.594 592 HG22 THR 70 1HG2 THR 70 -28.022 8.786 -23.985 593 HG23 THR 70 2HG2 THR 70 -29.051 7.360 -23.848 594 H GLN 71 H GLN 71 -28.271 5.499 -19.348 595 HA GLN 71 HA GLN 71 -26.984 4.242 -17.956 596 HB2 GLN 71 2HB GLN 71 -26.403 2.839 -20.566 597 HB3 GLN 71 3HB GLN 71 -25.885 2.233 -18.998 598 HG2 GLN 71 2HG GLN 71 -27.836 1.239 -18.732 599 HG3 GLN 71 3HG GLN 71 -28.653 2.798 -18.832 600 HE21 GLN 71 1HE2 GLN 71 -27.593 -0.004 -20.623 601 HE22 GLN 71 2HE2 GLN 71 -28.620 0.237 -21.990 602 H GLN 72 H GLN 72 -25.821 6.602 -18.478 603 HA GLN 72 HA GLN 72 -23.043 6.089 -19.232 604 HB2 GLN 72 2HB GLN 72 -24.756 8.252 -19.644 605 HB3 GLN 72 3HB GLN 72 -23.630 8.811 -18.415 606 HG2 GLN 72 2HG GLN 72 -22.255 9.308 -20.078 607 HG3 GLN 72 3HG GLN 72 -22.000 7.573 -20.259 608 HE21 GLN 72 1HE2 GLN 72 -22.217 6.879 -22.249 609 HE22 GLN 72 2HE2 GLN 72 -23.262 7.536 -23.457 610 H TRP 73 H TRP 73 -24.859 5.912 -16.509 611 HA TRP 73 HA TRP 73 -23.521 7.281 -14.522 612 HB2 TRP 73 2HB TRP 73 -25.546 6.102 -14.005 613 HB3 TRP 73 3HB TRP 73 -24.827 4.557 -14.453 614 HD1 TRP 73 HD1 TRP 73 -23.143 7.140 -12.136 615 HE1 TRP 73 HE1 TRP 73 -22.816 6.055 -9.825 616 HE3 TRP 73 HE3 TRP 73 -25.607 2.736 -12.952 617 HZ2 TRP 73 HZ2 TRP 73 -23.511 3.650 -8.521 618 HZ3 TRP 73 HZ3 TRP 73 -25.730 1.096 -11.121 619 HH2 TRP 73 HH2 TRP 73 -24.703 1.546 -8.952 620 H SER 74 H SER 74 -22.714 4.157 -15.975 621 HA SER 74 HA SER 74 -20.554 3.550 -14.259 622 HB2 SER 74 2HB SER 74 -19.945 1.867 -15.903 623 HB3 SER 74 3HB SER 74 -21.698 1.887 -15.716 624 HG SER 74 HG SER 74 -21.587 2.022 -17.831 625 H MET 75 H MET 75 -20.789 5.361 -17.265 626 HA MET 75 HA MET 75 -17.980 5.626 -17.660 627 HB2 MET 75 2HB MET 75 -20.171 6.086 -19.211 628 HB3 MET 75 3HB MET 75 -19.720 7.728 -18.773 629 HG2 MET 75 2HG MET 75 -17.507 7.405 -19.673 630 HG3 MET 75 3HG MET 75 -17.862 5.714 -20.013 631 HE1 MET 75 3HE MET 75 -17.517 5.605 -22.703 632 HE2 MET 75 1HE MET 75 -18.897 4.816 -21.937 633 HE3 MET 75 2HE MET 75 -19.115 5.707 -23.444 634 H VAL 76 H VAL 76 -20.478 7.782 -16.338 635 HA VAL 76 HA VAL 76 -18.706 9.910 -15.736 636 HB VAL 76 HB VAL 76 -21.387 9.277 -14.495 637 HG11 VAL 76 1HG1 VAL 76 -19.657 11.736 -14.446 638 HG12 VAL 76 2HG1 VAL 76 -21.384 11.776 -14.085 639 HG13 VAL 76 3HG1 VAL 76 -20.294 10.821 -13.080 640 HG21 VAL 76 3HG2 VAL 76 -20.613 10.891 -16.915 641 HG22 VAL 76 1HG2 VAL 76 -21.702 9.507 -16.834 642 HG23 VAL 76 2HG2 VAL 76 -22.176 11.045 -16.113 643 H ALA 77 H ALA 77 -20.207 7.431 -13.660 644 HA ALA 77 HA ALA 77 -18.994 8.153 -11.263 645 HB1 ALA 77 1HB ALA 77 -19.386 5.769 -10.596 646 HB2 ALA 77 2HB ALA 77 -20.801 6.605 -11.236 647 HB3 ALA 77 3HB ALA 77 -19.918 5.463 -12.250 648 H GLN 78 H GLN 78 -17.809 6.121 -13.888 649 HA GLN 78 HA GLN 78 -15.565 5.046 -12.609 650 HB2 GLN 78 2HB GLN 78 -16.287 4.144 -14.712 651 HB3 GLN 78 3HB GLN 78 -16.068 5.694 -15.514 652 HG2 GLN 78 2HG GLN 78 -13.845 5.416 -15.751 653 HG3 GLN 78 3HG GLN 78 -13.678 4.561 -14.219 654 HE21 GLN 78 1HE2 GLN 78 -14.416 4.268 -17.603 655 HE22 GLN 78 2HE2 GLN 78 -14.270 2.549 -17.694 656 H ARG 79 H ARG 79 -16.108 8.166 -14.092 657 HA ARG 79 HA ARG 79 -13.466 9.025 -14.381 658 HB2 ARG 79 2HB ARG 79 -15.881 10.117 -14.922 659 HB3 ARG 79 3HB ARG 79 -15.436 11.046 -13.496 660 HG2 ARG 79 2HG ARG 79 -14.252 12.371 -14.813 661 HG3 ARG 79 3HG ARG 79 -13.154 11.020 -15.105 662 HD2 ARG 79 2HD ARG 79 -14.587 10.302 -16.980 663 HD3 ARG 79 3HD ARG 79 -15.615 11.709 -16.707 664 HE ARG 79 HE ARG 79 -13.026 12.647 -17.042 665 HH11 ARG 79 1HH1 ARG 79 -15.419 10.932 -18.900 666 HH12 ARG 79 2HH1 ARG 79 -14.869 11.550 -20.423 667 HH21 ARG 79 1HH2 ARG 79 -12.293 13.468 -19.040 668 HH22 ARG 79 2HH2 ARG 79 -13.090 12.992 -20.501 669 H LEU 80 H LEU 80 -15.645 9.192 -11.597 670 HA LEU 80 HA LEU 80 -13.490 10.314 -9.965 671 HB2 LEU 80 2HB LEU 80 -16.190 10.824 -10.053 672 HB3 LEU 80 3HB LEU 80 -16.035 9.779 -8.643 673 HG LEU 80 HG LEU 80 -15.979 12.154 -8.046 674 HD11 LEU 80 1HD1 LEU 80 -14.834 10.664 -6.579 675 HD12 LEU 80 2HD1 LEU 80 -13.830 12.100 -6.773 676 HD13 LEU 80 3HD1 LEU 80 -13.422 10.617 -7.635 677 HD21 LEU 80 3HD2 LEU 80 -14.102 12.249 -10.251 678 HD22 LEU 80 1HD2 LEU 80 -13.447 12.995 -8.793 679 HD23 LEU 80 2HD2 LEU 80 -14.982 13.557 -9.458 680 H GLN 81 H GLN 81 -14.310 7.358 -10.922 681 HA GLN 81 HA GLN 81 -13.842 5.262 -10.168 682 HB2 GLN 81 2HB GLN 81 -11.996 6.896 -8.885 683 HB3 GLN 81 3HB GLN 81 -12.699 5.948 -7.581 684 HG2 GLN 81 2HG GLN 81 -10.827 4.741 -8.307 685 HG3 GLN 81 3HG GLN 81 -12.223 3.903 -8.983 686 HE21 GLN 81 1HE2 GLN 81 -9.310 4.207 -9.768 687 HE22 GLN 81 2HE2 GLN 81 -9.372 4.632 -11.442 688 H ILE 82 H ILE 82 -16.322 6.612 -9.491 689 HA ILE 82 HA ILE 82 -17.028 5.846 -6.811 690 HB ILE 82 HB ILE 82 -18.621 6.899 -9.135 691 HG12 ILE 82 2HG1 ILE 82 -17.158 8.435 -7.800 692 HG13 ILE 82 3HG1 ILE 82 -18.865 8.864 -7.766 693 HG21 ILE 82 1HG2 ILE 82 -19.585 5.744 -6.554 694 HG22 ILE 82 2HG2 ILE 82 -20.466 7.069 -7.313 695 HG23 ILE 82 3HG2 ILE 82 -20.236 5.551 -8.181 696 HD11 ILE 82 3HD1 ILE 82 -17.164 8.520 -5.595 697 HD12 ILE 82 1HD1 ILE 82 -18.915 8.722 -5.560 698 HD13 ILE 82 2HD1 ILE 82 -18.214 7.103 -5.588 699 H SER 83 H SER 83 -17.808 4.661 -10.070 700 HA SER 83 HA SER 83 -18.739 2.150 -8.837 701 HB2 SER 83 2HB SER 83 -20.535 3.384 -10.004 702 HB3 SER 83 3HB SER 83 -19.586 3.341 -11.490 703 HG SER 83 HG SER 83 -20.823 1.596 -11.705 704 H ASP 84 H ASP 84 -16.407 1.607 -8.876 705 HA ASP 84 HA ASP 84 -15.361 0.956 -11.529 706 HB2 ASP 84 2HB ASP 84 -14.175 1.398 -8.848 707 HB3 ASP 84 3HB ASP 84 -13.382 0.197 -9.862 708 H TYR 85 H TYR 85 -17.340 -0.648 -11.334 709 HA TYR 85 HA TYR 85 -17.918 -2.849 -11.484 710 HB2 TYR 85 2HB TYR 85 -15.289 -2.955 -11.977 711 HB3 TYR 85 3HB TYR 85 -15.310 -3.840 -10.455 712 HD1 TYR 85 HD2 TYR 85 -17.705 -3.785 -13.321 713 HD2 TYR 85 HD1 TYR 85 -15.039 -6.087 -10.935 714 HE1 TYR 85 HE2 TYR 85 -18.397 -5.819 -14.519 715 HE2 TYR 85 HE1 TYR 85 -15.723 -8.127 -12.127 716 HH TYR 85 HH TYR 85 -16.730 -8.817 -14.166 717 H GLN 86 H GLN 86 -16.578 -4.866 -9.642 718 HA GLN 86 HA GLN 86 -18.458 -4.982 -7.642 719 HB2 GLN 86 2HB GLN 86 -16.851 -6.447 -6.426 720 HB3 GLN 86 3HB GLN 86 -17.055 -6.877 -8.120 721 HG2 GLN 86 2HG GLN 86 -14.966 -5.670 -8.639 722 HG3 GLN 86 3HG GLN 86 -14.752 -5.359 -6.917 723 HE21 GLN 86 1HE2 GLN 86 -12.729 -6.577 -8.003 724 HE22 GLN 86 2HE2 GLN 86 -12.697 -8.267 -7.645 725 H GLN 87 H GLN 87 -15.463 -3.171 -7.715 726 HA GLN 87 HA GLN 87 -15.162 -2.550 -5.028 727 HB2 GLN 87 2HB GLN 87 -14.497 -1.029 -7.536 728 HB3 GLN 87 3HB GLN 87 -14.143 -0.368 -5.946 729 HG2 GLN 87 2HG GLN 87 -13.168 -3.062 -6.846 730 HG3 GLN 87 3HG GLN 87 -12.260 -1.573 -7.104 731 HE21 GLN 87 1HE2 GLN 87 -11.725 -4.001 -5.471 732 HE22 GLN 87 2HE2 GLN 87 -11.399 -3.408 -3.881 733 H LEU 88 H LEU 88 -17.486 -1.399 -7.327 734 HA LEU 88 HA LEU 88 -18.274 1.012 -6.224 735 HB2 LEU 88 2HB LEU 88 -19.168 0.293 -8.314 736 HB3 LEU 88 3HB LEU 88 -19.888 -1.137 -7.578 737 HG LEU 88 HG LEU 88 -21.470 0.305 -6.366 738 HD11 LEU 88 1HD1 LEU 88 -19.864 2.296 -6.429 739 HD12 LEU 88 2HD1 LEU 88 -21.584 2.619 -6.642 740 HD13 LEU 88 3HD1 LEU 88 -20.511 2.600 -8.041 741 HD21 LEU 88 3HD2 LEU 88 -21.463 -0.345 -9.077 742 HD22 LEU 88 1HD2 LEU 88 -22.003 1.333 -9.007 743 HD23 LEU 88 2HD2 LEU 88 -22.858 0.092 -8.089 744 H GLU 89 H GLU 89 -18.759 -2.209 -5.045 745 HA GLU 89 HA GLU 89 -20.932 -1.677 -3.302 746 HB2 GLU 89 2HB GLU 89 -19.457 -3.923 -4.066 747 HB3 GLU 89 3HB GLU 89 -19.164 -3.763 -2.340 748 HG2 GLU 89 2HG GLU 89 -21.731 -3.517 -2.170 749 HG3 GLU 89 3HG GLU 89 -21.737 -4.232 -3.781 750 H SER 90 H SER 90 -17.418 -1.712 -2.844 751 HA SER 90 HA SER 90 -17.493 -1.147 -0.066 752 HB2 SER 90 2HB SER 90 -15.402 -1.905 -0.498 753 HB3 SER 90 3HB SER 90 -15.439 -1.339 -2.167 754 HG SER 90 HG SER 90 -14.111 0.118 -1.418 755 H ILE 91 H ILE 91 -17.113 0.887 -2.941 756 HA ILE 91 HA ILE 91 -16.714 3.317 -1.554 757 HB ILE 91 HB ILE 91 -17.919 3.012 -4.303 758 HG12 ILE 91 2HG1 ILE 91 -15.856 1.715 -4.187 759 HG13 ILE 91 3HG1 ILE 91 -15.600 3.169 -5.146 760 HG21 ILE 91 1HG2 ILE 91 -16.158 5.217 -4.069 761 HG22 ILE 91 2HG2 ILE 91 -17.900 5.229 -4.337 762 HG23 ILE 91 3HG2 ILE 91 -17.262 5.261 -2.694 763 HD11 ILE 91 3HD1 ILE 91 -14.539 4.236 -3.213 764 HD12 ILE 91 1HD1 ILE 91 -14.763 2.752 -2.286 765 HD13 ILE 91 2HD1 ILE 91 -13.711 2.758 -3.702 766 H TYR 92 H TYR 92 -19.610 1.736 -2.834 767 HA TYR 92 HA TYR 92 -21.406 3.839 -2.262 768 HB2 TYR 92 2HB TYR 92 -21.995 2.075 -3.827 769 HB3 TYR 92 3HB TYR 92 -21.897 0.868 -2.550 770 HD1 TYR 92 HD2 TYR 92 -23.643 0.718 -0.844 771 HD2 TYR 92 HD1 TYR 92 -23.910 3.535 -4.021 772 HE1 TYR 92 HE2 TYR 92 -26.028 1.048 -0.343 773 HE2 TYR 92 HE1 TYR 92 -26.296 3.874 -3.528 774 HH TYR 92 HH TYR 92 -28.140 2.676 -2.446 775 H PHE 93 H PHE 93 -20.360 1.014 -0.417 776 HA PHE 93 HA PHE 93 -22.160 1.321 1.732 777 HB2 PHE 93 2HB PHE 93 -20.632 -0.685 1.109 778 HB3 PHE 93 3HB PHE 93 -19.413 0.152 2.066 779 HD1 PHE 93 HD1 PHE 93 -22.750 -1.417 2.185 780 HD2 PHE 93 HD2 PHE 93 -19.474 0.123 4.425 781 HE1 PHE 93 HE1 PHE 93 -23.694 -2.398 4.234 782 HE2 PHE 93 HE2 PHE 93 -20.413 -0.856 6.477 783 HZ PHE 93 HZ PHE 93 -22.525 -2.119 6.384 784 H ARG 94 H ARG 94 -18.765 2.326 1.368 785 HA ARG 94 HA ARG 94 -18.557 3.601 3.868 786 HB2 ARG 94 2HB ARG 94 -17.003 3.609 1.335 787 HB3 ARG 94 3HB ARG 94 -16.726 4.943 2.448 788 HG2 ARG 94 2HG ARG 94 -15.267 3.624 3.474 789 HG3 ARG 94 3HG ARG 94 -16.652 2.706 4.070 790 HD2 ARG 94 2HD ARG 94 -15.668 2.085 1.342 791 HD3 ARG 94 3HD ARG 94 -14.663 1.581 2.700 792 HE ARG 94 HE ARG 94 -17.436 0.840 2.941 793 HH11 ARG 94 1HH1 ARG 94 -14.301 -0.079 1.739 794 HH12 ARG 94 2HH1 ARG 94 -14.659 -1.774 1.723 795 HH21 ARG 94 1HH2 ARG 94 -17.921 -1.389 2.924 796 HH22 ARG 94 2HH2 ARG 94 -16.719 -2.517 2.396 797 H ILE 95 H ILE 95 -19.754 4.679 0.765 798 HA ILE 95 HA ILE 95 -19.866 7.456 1.505 799 HB ILE 95 HB ILE 95 -20.966 5.914 -0.835 800 HG12 ILE 95 2HG1 ILE 95 -18.958 8.168 -0.772 801 HG13 ILE 95 3HG1 ILE 95 -18.495 6.476 -0.631 802 HG21 ILE 95 1HG2 ILE 95 -21.407 8.786 -0.080 803 HG22 ILE 95 2HG2 ILE 95 -21.496 8.236 -1.752 804 HG23 ILE 95 3HG2 ILE 95 -22.598 7.572 -0.546 805 HD11 ILE 95 3HD1 ILE 95 -19.869 7.780 -2.966 806 HD12 ILE 95 1HD1 ILE 95 -18.205 7.202 -2.896 807 HD13 ILE 95 2HD1 ILE 95 -19.542 6.053 -2.826 808 H LEU 96 H LEU 96 -21.941 4.698 1.771 809 HA LEU 96 HA LEU 96 -24.322 6.278 2.260 810 HB2 LEU 96 2HB LEU 96 -23.677 3.446 1.851 811 HB3 LEU 96 3HB LEU 96 -24.962 3.743 3.020 812 HG LEU 96 HG LEU 96 -25.873 3.308 0.807 813 HD11 LEU 96 1HD1 LEU 96 -26.263 6.237 1.291 814 HD12 LEU 96 2HD1 LEU 96 -26.844 5.041 2.449 815 HD13 LEU 96 3HD1 LEU 96 -27.439 5.022 0.789 816 HD21 LEU 96 3HD2 LEU 96 -24.282 3.949 -0.744 817 HD22 LEU 96 1HD2 LEU 96 -24.013 5.515 0.023 818 HD23 LEU 96 2HD2 LEU 96 -25.489 5.227 -0.898 819 H LEU 97 H LEU 97 -21.705 5.033 4.051 820 HA LEU 97 HA LEU 97 -22.643 4.342 6.498 821 HB2 LEU 97 2HB LEU 97 -20.219 5.540 5.473 822 HB3 LEU 97 3HB LEU 97 -20.571 6.099 7.107 823 HG LEU 97 HG LEU 97 -20.540 3.835 7.938 824 HD11 LEU 97 1HD1 LEU 97 -19.881 2.909 5.152 825 HD12 LEU 97 2HD1 LEU 97 -21.500 2.833 5.844 826 HD13 LEU 97 3HD1 LEU 97 -20.183 1.922 6.582 827 HD21 LEU 97 3HD2 LEU 97 -18.195 3.264 7.501 828 HD22 LEU 97 1HD2 LEU 97 -18.405 4.989 7.803 829 HD23 LEU 97 2HD2 LEU 97 -18.173 4.405 6.155 830 HA PRO 98 HA PRO 98 -24.839 7.689 8.299 831 HB2 PRO 98 2HB PRO 98 -24.201 7.395 10.921 832 HB3 PRO 98 3HB PRO 98 -25.286 6.292 10.067 833 HG2 PRO 98 2HG PRO 98 -22.381 5.968 10.715 834 HG3 PRO 98 3HG PRO 98 -23.693 4.781 10.835 835 HD2 PRO 98 2HD PRO 98 -21.948 4.821 8.765 836 HD3 PRO 98 3HD PRO 98 -23.637 4.306 8.580 837 H TYR 99 H TYR 99 -21.461 7.375 9.346 838 HA TYR 99 HA TYR 99 -21.230 10.046 10.289 839 HB2 TYR 99 2HB TYR 99 -18.975 8.262 9.364 840 HB3 TYR 99 3HB TYR 99 -18.885 9.598 10.507 841 HD1 TYR 99 HD2 TYR 99 -20.162 9.351 12.715 842 HD2 TYR 99 HD1 TYR 99 -19.352 6.080 10.117 843 HE1 TYR 99 HE2 TYR 99 -20.531 7.787 14.578 844 HE2 TYR 99 HE1 TYR 99 -19.720 4.508 11.972 845 HH TYR 99 HH TYR 99 -20.770 4.377 14.094 846 H GLU 100 H GLU 100 -20.341 8.445 7.253 847 HA GLU 100 HA GLU 100 -19.138 10.693 6.047 848 HB2 GLU 100 2HB GLU 100 -19.067 8.194 5.356 849 HB3 GLU 100 3HB GLU 100 -20.550 8.552 4.483 850 HG2 GLU 100 2HG GLU 100 -19.497 9.807 2.919 851 HG3 GLU 100 3HG GLU 100 -18.254 10.363 4.039 852 H ARG 101 H ARG 101 -22.437 9.395 5.874 853 HA ARG 101 HA ARG 101 -23.410 11.345 4.064 854 HB2 ARG 101 2HB ARG 101 -25.578 10.474 4.521 855 HB3 ARG 101 3HB ARG 101 -24.468 9.111 4.566 856 HG2 ARG 101 2HG ARG 101 -24.475 9.148 6.988 857 HG3 ARG 101 3HG ARG 101 -25.519 10.570 6.981 858 HD2 ARG 101 2HD ARG 101 -26.285 7.954 5.705 859 HD3 ARG 101 3HD ARG 101 -26.667 8.358 7.378 860 HE ARG 101 HE ARG 101 -27.594 10.451 5.817 861 HH11 ARG 101 1HH1 ARG 101 -28.200 7.043 6.187 862 HH12 ARG 101 2HH1 ARG 101 -29.861 7.153 5.706 863 HH21 ARG 101 1HH2 ARG 101 -29.780 10.609 5.182 864 HH22 ARG 101 2HH2 ARG 101 -30.758 9.182 5.134 865 H HIS 102 H HIS 102 -23.148 11.206 7.557 866 HA HIS 102 HA HIS 102 -24.826 13.417 8.127 867 HB2 HIS 102 2HB HIS 102 -22.821 11.810 9.615 868 HB3 HIS 102 3HB HIS 102 -23.180 13.413 10.249 869 HD1 HIS 102 HD1 HIS 102 -26.231 13.447 9.642 870 HD2 HIS 102 HD2 HIS 102 -24.197 10.293 11.426 871 HE1 HIS 102 HE1 HIS 102 -27.969 12.173 10.938 872 H MET 103 H MET 103 -21.321 13.108 7.675 873 HA MET 103 HA MET 103 -20.622 15.752 8.248 874 HB2 MET 103 2HB MET 103 -19.358 13.693 6.444 875 HB3 MET 103 3HB MET 103 -18.634 15.269 6.733 876 HG2 MET 103 2HG MET 103 -19.289 13.274 8.887 877 HG3 MET 103 3HG MET 103 -17.704 13.460 8.139 878 HE1 MET 103 3HE MET 103 -19.087 13.632 11.072 879 HE2 MET 103 1HE MET 103 -18.634 15.107 11.927 880 HE3 MET 103 2HE MET 103 -20.126 15.055 10.988 881 H ILE 104 H ILE 104 -21.770 14.261 5.270 882 HA ILE 104 HA ILE 104 -21.444 16.709 3.757 883 HB ILE 104 HB ILE 104 -22.459 15.465 1.897 884 HG12 ILE 104 2HG1 ILE 104 -22.656 13.193 3.886 885 HG13 ILE 104 3HG1 ILE 104 -24.017 14.092 3.224 886 HG21 ILE 104 1HG2 ILE 104 -20.517 14.444 1.410 887 HG22 ILE 104 2HG2 ILE 104 -19.980 15.145 2.935 888 HG23 ILE 104 3HG2 ILE 104 -20.538 13.473 2.882 889 HD11 ILE 104 3HD1 ILE 104 -22.588 13.187 1.010 890 HD12 ILE 104 1HD1 ILE 104 -22.612 11.835 2.142 891 HD13 ILE 104 2HD1 ILE 104 -24.126 12.575 1.619 892 H SER 105 H SER 105 -23.860 15.201 5.669 893 HA SER 105 HA SER 105 -26.182 16.254 4.472 894 HB2 SER 105 2HB SER 105 -26.855 14.707 5.990 895 HB3 SER 105 3HB SER 105 -25.477 15.003 7.050 896 HG SER 105 HG SER 105 -26.605 16.430 8.134 897 H GLN 106 H GLN 106 -23.839 17.611 6.677 898 HA GLN 106 HA GLN 106 -25.258 19.767 7.701 899 HB2 GLN 106 2HB GLN 106 -22.390 19.174 7.215 900 HB3 GLN 106 3HB GLN 106 -22.814 20.857 7.500 901 HG2 GLN 106 2HG GLN 106 -24.162 19.659 9.510 902 HG3 GLN 106 3HG GLN 106 -22.782 18.574 9.344 903 HE21 GLN 106 1HE2 GLN 106 -23.688 21.951 9.778 904 HE22 GLN 106 2HE2 GLN 106 -22.260 22.413 10.634 905 H GLU 107 H GLU 107 -23.637 19.396 4.597 906 HA GLU 107 HA GLU 107 -24.666 22.040 3.802 907 HB2 GLU 107 2HB GLU 107 -22.109 21.435 3.753 908 HB3 GLU 107 3HB GLU 107 -22.536 20.615 2.258 909 HG2 GLU 107 2HG GLU 107 -22.840 22.535 1.130 910 HG3 GLU 107 3HG GLU 107 -23.528 23.370 2.522 911 H GLY 108 H GLY 108 -25.982 19.324 3.788 912 HA2 GLY 108 2HA GLY 108 -27.312 19.608 1.288 913 HA3 GLY 108 3HA GLY 108 -26.210 18.240 1.252 914 H ILE 109 H ILE 109 -28.358 19.524 3.785 915 HA ILE 109 HA ILE 109 -29.096 17.043 4.810 916 HB ILE 109 HB ILE 109 -31.122 18.261 5.718 917 HG12 ILE 109 2HG1 ILE 109 -29.783 20.702 4.553 918 HG13 ILE 109 3HG1 ILE 109 -31.147 19.906 3.776 919 HG21 ILE 109 1HG2 ILE 109 -29.874 19.345 7.377 920 HG22 ILE 109 2HG2 ILE 109 -28.806 18.079 6.775 921 HG23 ILE 109 3HG2 ILE 109 -28.573 19.748 6.258 922 HD11 ILE 109 3HD1 ILE 109 -32.276 21.474 4.946 923 HD12 ILE 109 1HD1 ILE 109 -32.199 20.229 6.192 924 HD13 ILE 109 2HD1 ILE 109 -31.054 21.571 6.214 925 H LYS 110 H LYS 110 -30.204 18.714 1.998 926 HA LYS 110 HA LYS 110 -32.739 17.608 1.652 927 HB2 LYS 110 2HB LYS 110 -30.692 18.817 -0.111 928 HB3 LYS 110 3HB LYS 110 -31.892 17.808 -0.907 929 HG2 LYS 110 2HG LYS 110 -32.635 20.081 -0.955 930 HG3 LYS 110 3HG LYS 110 -33.671 19.171 0.147 931 HD2 LYS 110 2HD LYS 110 -33.130 20.498 1.853 932 HD3 LYS 110 3HD LYS 110 -31.405 20.281 1.547 933 HE2 LYS 110 2HE LYS 110 -33.164 22.188 0.014 934 HE3 LYS 110 3HE LYS 110 -32.205 22.649 1.419 935 HZ1 LYS 110 3HZ LYS 110 -31.072 21.458 -1.053 936 HZ2 LYS 110 1HZ LYS 110 -30.209 22.087 0.260 937 HZ3 LYS 110 2HZ LYS 110 -31.113 23.118 -0.730 938 H GLU 111 H GLU 111 -29.600 16.193 1.302 939 HA GLU 111 HA GLU 111 -30.424 13.986 -0.327 940 HB2 GLU 111 2HB GLU 111 -27.976 15.039 0.625 941 HB3 GLU 111 3HB GLU 111 -28.076 13.384 1.208 942 HG2 GLU 111 2HG GLU 111 -27.143 12.935 -0.786 943 HG3 GLU 111 3HG GLU 111 -28.818 12.992 -1.330 944 H THR 112 H THR 112 -30.417 14.697 3.058 945 HA THR 112 HA THR 112 -30.488 12.046 4.052 946 HB THR 112 HB THR 112 -31.646 14.535 5.323 947 HG1 THR 112 HG1 THR 112 -29.054 13.366 5.564 948 HG21 THR 112 3HG2 THR 112 -32.183 13.263 7.072 949 HG22 THR 112 1HG2 THR 112 -30.554 12.593 7.139 950 HG23 THR 112 2HG2 THR 112 -31.775 11.841 6.112 951 H GLN 113 H GLN 113 -33.073 14.404 3.392 952 HA GLN 113 HA GLN 113 -35.215 12.745 4.127 953 HB2 GLN 113 2HB GLN 113 -34.876 15.271 2.648 954 HB3 GLN 113 3HB GLN 113 -36.321 14.358 2.234 955 HG2 GLN 113 2HG GLN 113 -37.338 14.937 4.117 956 HG3 GLN 113 3HG GLN 113 -35.936 14.506 5.094 957 HE21 GLN 113 1HE2 GLN 113 -37.383 17.045 3.150 958 HE22 GLN 113 2HE2 GLN 113 -36.549 18.356 3.904 959 H ALA 114 H ALA 114 -33.220 12.790 1.325 960 HA ALA 114 HA ALA 114 -34.986 11.590 -0.526 961 HB1 ALA 114 1HB ALA 114 -32.486 10.750 -1.295 962 HB2 ALA 114 2HB ALA 114 -33.256 12.266 -1.764 963 HB3 ALA 114 3HB ALA 114 -32.148 12.228 -0.393 964 H LYS 115 H LYS 115 -33.131 10.335 2.112 965 HA LYS 115 HA LYS 115 -33.292 7.587 1.214 966 HB2 LYS 115 2HB LYS 115 -31.417 8.660 2.639 967 HB3 LYS 115 3HB LYS 115 -32.529 8.462 3.988 968 HG2 LYS 115 2HG LYS 115 -31.939 6.116 2.252 969 HG3 LYS 115 3HG LYS 115 -30.739 6.636 3.437 970 HD2 LYS 115 2HD LYS 115 -32.676 6.601 5.121 971 HD3 LYS 115 3HD LYS 115 -33.543 5.665 3.900 972 HE2 LYS 115 2HE LYS 115 -30.915 4.952 5.197 973 HE3 LYS 115 3HE LYS 115 -32.471 4.172 5.472 974 HZ1 LYS 115 3HZ LYS 115 -31.165 2.858 3.969 975 HZ2 LYS 115 1HZ LYS 115 -30.923 4.178 2.938 976 HZ3 LYS 115 2HZ LYS 115 -32.469 3.516 3.116 977 H ARG 116 H ARG 116 -34.894 6.214 1.637 978 HA ARG 116 HA ARG 116 -36.439 6.295 4.031 979 HB2 ARG 116 2HB ARG 116 -37.378 7.832 1.785 980 HB3 ARG 116 3HB ARG 116 -38.493 6.512 2.111 981 HG2 ARG 116 2HG ARG 116 -37.536 8.231 4.355 982 HG3 ARG 116 3HG ARG 116 -38.814 8.806 3.281 983 HD2 ARG 116 2HD ARG 116 -39.330 6.095 4.076 984 HD3 ARG 116 3HD ARG 116 -39.064 7.102 5.498 985 HE ARG 116 HE ARG 116 -40.814 8.443 3.774 986 HH11 ARG 116 1HH1 ARG 116 -40.725 5.610 5.796 987 HH12 ARG 116 2HH1 ARG 116 -42.429 5.623 6.112 988 HH21 ARG 116 1HH2 ARG 116 -43.058 8.470 4.182 989 HH22 ARG 116 2HH2 ARG 116 -43.755 7.249 5.193 Start of MODEL 17 1 H1 GLN 1 H GLN 1 -0.988 0.266 -6.001 2 HA GLN 1 HA GLN 1 -3.239 0.980 -4.416 3 HB2 GLN 1 2HB GLN 1 -3.101 -1.677 -4.600 4 HB3 GLN 1 3HB GLN 1 -1.926 -1.452 -3.311 5 HG2 GLN 1 2HG GLN 1 -3.505 -1.057 -1.801 6 HG3 GLN 1 3HG GLN 1 -4.355 0.065 -2.862 7 HE21 GLN 1 1HE2 GLN 1 -5.542 -1.051 -4.703 8 HE22 GLN 1 2HE2 GLN 1 -6.442 -2.465 -4.283 9 H SER 2 H SER 2 -2.617 1.451 -2.150 10 HA SER 2 HA SER 2 -1.266 2.470 -0.630 11 HB2 SER 2 2HB SER 2 1.025 0.965 -1.904 12 HB3 SER 2 3HB SER 2 0.923 1.571 -0.252 13 HG SER 2 HG SER 2 0.272 -0.411 0.104 14 H LEU 3 H LEU 3 -1.686 3.595 -3.340 15 HA LEU 3 HA LEU 3 -0.128 5.902 -3.107 16 HB2 LEU 3 2HB LEU 3 1.292 3.788 -4.262 17 HB3 LEU 3 3HB LEU 3 0.830 4.831 -5.605 18 HG LEU 3 HG LEU 3 2.132 6.024 -3.194 19 HD11 LEU 3 1HD1 LEU 3 3.385 4.216 -5.179 20 HD12 LEU 3 2HD1 LEU 3 3.806 4.521 -3.494 21 HD13 LEU 3 3HD1 LEU 3 4.266 5.680 -4.740 22 HD21 LEU 3 3HD2 LEU 3 3.129 7.194 -5.453 23 HD22 LEU 3 1HD2 LEU 3 1.757 7.788 -4.518 24 HD23 LEU 3 2HD2 LEU 3 1.485 6.783 -5.942 25 H ASN 4 H ASN 4 -1.126 7.492 -4.185 26 HA ASN 4 HA ASN 4 -3.497 7.015 -5.615 27 HB2 ASN 4 2HB ASN 4 -1.925 9.331 -4.794 28 HB3 ASN 4 3HB ASN 4 -2.702 9.567 -6.357 29 HD21 ASN 4 1HD2 ASN 4 -3.403 8.372 -3.096 30 HD22 ASN 4 2HD2 ASN 4 -5.000 9.026 -3.014 31 HA PRO 5 HA PRO 5 -2.272 6.382 -9.780 32 HB2 PRO 5 2HB PRO 5 -4.157 7.773 -11.152 33 HB3 PRO 5 3HB PRO 5 -4.503 6.256 -10.314 34 HG2 PRO 5 2HG PRO 5 -5.009 9.069 -9.425 35 HG3 PRO 5 3HG PRO 5 -6.061 7.648 -9.293 36 HD2 PRO 5 2HD PRO 5 -4.595 8.574 -7.213 37 HD3 PRO 5 3HD PRO 5 -4.961 6.851 -7.431 38 H ALA 6 H ALA 6 -2.746 9.703 -8.741 39 HA ALA 6 HA ALA 6 -1.761 11.668 -9.335 40 HB1 ALA 6 1HB ALA 6 0.591 11.575 -9.986 41 HB2 ALA 6 2HB ALA 6 0.255 10.474 -8.648 42 HB3 ALA 6 3HB ALA 6 0.445 9.842 -10.284 43 H LEU 7 H LEU 7 -3.425 10.154 -11.319 44 HA LEU 7 HA LEU 7 -2.331 11.241 -13.820 45 HB2 LEU 7 2HB LEU 7 -3.943 8.900 -13.131 46 HB3 LEU 7 3HB LEU 7 -4.543 9.792 -14.528 47 HG LEU 7 HG LEU 7 -1.711 9.390 -14.774 48 HD11 LEU 7 1HD1 LEU 7 -2.194 7.459 -13.272 49 HD12 LEU 7 2HD1 LEU 7 -1.586 7.009 -14.864 50 HD13 LEU 7 3HD1 LEU 7 -3.304 6.849 -14.499 51 HD21 LEU 7 3HD2 LEU 7 -3.356 9.864 -16.573 52 HD22 LEU 7 1HD2 LEU 7 -4.006 8.239 -16.355 53 HD23 LEU 7 2HD2 LEU 7 -2.342 8.457 -16.897 54 H GLN 8 H GLN 8 -5.303 11.085 -11.890 55 HA GLN 8 HA GLN 8 -6.123 13.633 -13.094 56 HB2 GLN 8 2HB GLN 8 -7.737 11.110 -12.880 57 HB3 GLN 8 3HB GLN 8 -8.529 12.680 -12.892 58 HG2 GLN 8 2HG GLN 8 -7.791 13.160 -15.064 59 HG3 GLN 8 3HG GLN 8 -6.596 11.865 -15.032 60 HE21 GLN 8 1HE2 GLN 8 -7.120 10.143 -16.154 61 HE22 GLN 8 2HE2 GLN 8 -8.721 9.594 -16.499 62 H GLU 9 H GLU 9 -4.839 13.517 -10.706 63 HA GLU 9 HA GLU 9 -6.941 13.684 -8.662 64 HB2 GLU 9 2HB GLU 9 -5.175 13.524 -7.014 65 HB3 GLU 9 3HB GLU 9 -5.011 12.215 -8.175 66 HG2 GLU 9 2HG GLU 9 -3.167 13.245 -9.225 67 HG3 GLU 9 3HG GLU 9 -3.451 14.770 -8.388 68 H LYS 10 H LYS 10 -6.594 15.732 -10.658 69 HA LYS 10 HA LYS 10 -5.117 17.937 -9.899 70 HB2 LYS 10 2HB LYS 10 -7.705 17.602 -11.362 71 HB3 LYS 10 3HB LYS 10 -7.165 19.221 -10.938 72 HG2 LYS 10 2HG LYS 10 -5.076 17.614 -12.172 73 HG3 LYS 10 3HG LYS 10 -6.489 17.836 -13.206 74 HD2 LYS 10 2HD LYS 10 -5.292 20.172 -11.768 75 HD3 LYS 10 3HD LYS 10 -4.566 19.585 -13.266 76 HE2 LYS 10 2HE LYS 10 -6.077 20.738 -14.413 77 HE3 LYS 10 3HE LYS 10 -7.343 19.730 -13.714 78 HZ1 LYS 10 3HZ LYS 10 -6.262 22.143 -12.372 79 HZ2 LYS 10 1HZ LYS 10 -7.642 21.260 -11.952 80 HZ3 LYS 10 2HZ LYS 10 -7.623 22.172 -13.376 81 H ILE 11 H ILE 11 -5.512 19.757 -8.630 82 HA ILE 11 HA ILE 11 -7.784 19.597 -6.773 83 HB ILE 11 HB ILE 11 -5.778 18.732 -5.627 84 HG12 ILE 11 2HG1 ILE 11 -5.910 20.212 -3.656 85 HG13 ILE 11 3HG1 ILE 11 -6.703 21.439 -4.637 86 HG21 ILE 11 1HG2 ILE 11 -3.870 20.116 -5.194 87 HG22 ILE 11 2HG2 ILE 11 -4.147 20.081 -6.935 88 HG23 ILE 11 3HG2 ILE 11 -4.629 21.493 -5.994 89 HD11 ILE 11 3HD1 ILE 11 -8.690 20.456 -4.447 90 HD12 ILE 11 1HD1 ILE 11 -8.027 18.848 -4.737 91 HD13 ILE 11 2HD1 ILE 11 -7.960 19.551 -3.121 92 H SER 12 H SER 12 -8.824 21.471 -6.464 93 HA SER 12 HA SER 12 -9.376 23.677 -6.571 94 HB2 SER 12 2HB SER 12 -7.807 25.188 -5.886 95 HB3 SER 12 3HB SER 12 -6.892 23.723 -5.530 96 HG SER 12 HG SER 12 -5.519 24.868 -6.744 97 H THR 13 H THR 13 -10.329 24.552 -8.276 98 HA THR 13 HA THR 13 -9.031 24.313 -10.899 99 HB THR 13 HB THR 13 -11.633 25.222 -11.320 100 HG1 THR 13 HG1 THR 13 -12.904 24.230 -9.907 101 HG21 THR 13 3HG2 THR 13 -11.760 23.385 -12.637 102 HG22 THR 13 1HG2 THR 13 -11.210 22.301 -11.360 103 HG23 THR 13 2HG2 THR 13 -10.041 23.259 -12.269 104 H GLU 14 H GLU 14 -11.428 26.610 -9.619 105 HA GLU 14 HA GLU 14 -9.906 28.781 -10.866 106 HB2 GLU 14 2HB GLU 14 -12.771 28.446 -10.053 107 HB3 GLU 14 3HB GLU 14 -12.100 30.060 -10.238 108 HG2 GLU 14 2HG GLU 14 -11.962 27.977 -12.396 109 HG3 GLU 14 3HG GLU 14 -13.296 29.119 -12.239 110 H LEU 15 H LEU 15 -9.811 27.334 -8.030 111 HA LEU 15 HA LEU 15 -8.854 27.978 -6.050 112 HB2 LEU 15 2HB LEU 15 -8.120 30.010 -7.653 113 HB3 LEU 15 3HB LEU 15 -9.160 30.876 -6.523 114 HG LEU 15 HG LEU 15 -7.660 29.648 -4.733 115 HD11 LEU 15 1HD1 LEU 15 -6.004 29.617 -7.237 116 HD12 LEU 15 2HD1 LEU 15 -6.308 28.304 -6.100 117 HD13 LEU 15 3HD1 LEU 15 -5.280 29.658 -5.629 118 HD21 LEU 15 3HD2 LEU 15 -7.267 32.161 -6.262 119 HD22 LEU 15 1HD2 LEU 15 -5.980 31.655 -5.167 120 HD23 LEU 15 2HD2 LEU 15 -7.612 31.917 -4.549 121 H ASN 16 H ASN 16 -11.847 28.908 -7.235 122 HA ASN 16 HA ASN 16 -12.792 29.938 -4.665 123 HB2 ASN 16 2HB ASN 16 -13.942 29.888 -7.441 124 HB3 ASN 16 3HB ASN 16 -14.980 30.176 -6.047 125 HD21 ASN 16 1HD2 ASN 16 -11.839 31.258 -7.303 126 HD22 ASN 16 2HD2 ASN 16 -12.092 32.933 -6.964 127 H ASN 17 H ASN 17 -13.461 27.336 -6.982 128 HA ASN 17 HA ASN 17 -15.406 26.084 -5.284 129 HB2 ASN 17 2HB ASN 17 -14.015 24.682 -7.547 130 HB3 ASN 17 3HB ASN 17 -15.677 24.508 -6.990 131 HD21 ASN 17 1HD2 ASN 17 -17.205 26.076 -7.562 132 HD22 ASN 17 2HD2 ASN 17 -16.947 27.145 -8.894 133 H LYS 18 H LYS 18 -11.987 25.994 -5.591 134 HA LYS 18 HA LYS 18 -11.319 23.449 -4.753 135 HB2 LYS 18 2HB LYS 18 -9.214 24.326 -4.100 136 HB3 LYS 18 3HB LYS 18 -9.754 25.314 -5.451 137 HG2 LYS 18 2HG LYS 18 -9.130 26.998 -4.101 138 HG3 LYS 18 3HG LYS 18 -10.738 26.758 -3.413 139 HD2 LYS 18 2HD LYS 18 -9.301 24.941 -2.006 140 HD3 LYS 18 3HD LYS 18 -8.083 26.190 -2.275 141 HE2 LYS 18 2HE LYS 18 -10.712 27.198 -1.450 142 HE3 LYS 18 3HE LYS 18 -9.903 26.193 -0.249 143 HZ1 LYS 18 3HZ LYS 18 -8.531 28.443 -1.594 144 HZ2 LYS 18 1HZ LYS 18 -8.080 27.638 -0.177 145 HZ3 LYS 18 2HZ LYS 18 -9.428 28.659 -0.177 146 H GLN 19 H GLN 19 -12.651 26.093 -2.918 147 HA GLN 19 HA GLN 19 -12.051 25.034 -0.339 148 HB2 GLN 19 2HB GLN 19 -13.019 27.438 -1.309 149 HB3 GLN 19 3HB GLN 19 -14.404 26.755 -0.468 150 HG2 GLN 19 2HG GLN 19 -12.822 26.385 1.492 151 HG3 GLN 19 3HG GLN 19 -11.707 27.451 0.638 152 HE21 GLN 19 1HE2 GLN 19 -12.036 29.606 0.675 153 HE22 GLN 19 2HE2 GLN 19 -13.330 30.379 1.519 154 H TYR 20 H TYR 20 -14.933 25.002 -2.407 155 HA TYR 20 HA TYR 20 -16.538 23.537 -0.573 156 HB2 TYR 20 2HB TYR 20 -16.772 24.154 -3.509 157 HB3 TYR 20 3HB TYR 20 -17.932 23.108 -2.698 158 HD1 TYR 20 HD2 TYR 20 -16.365 26.480 -2.331 159 HD2 TYR 20 HD1 TYR 20 -19.824 24.065 -1.776 160 HE1 TYR 20 HE2 TYR 20 -17.622 28.460 -1.589 161 HE2 TYR 20 HE1 TYR 20 -21.090 26.038 -1.033 162 HH TYR 20 HH TYR 20 -20.301 29.050 -1.602 163 H GLU 21 H GLU 21 -14.682 22.618 -3.457 164 HA GLU 21 HA GLU 21 -15.368 19.897 -3.461 165 HB2 GLU 21 2HB GLU 21 -13.272 21.573 -4.698 166 HB3 GLU 21 3HB GLU 21 -12.883 19.865 -4.544 167 HG2 GLU 21 2HG GLU 21 -14.371 19.244 -6.108 168 HG3 GLU 21 3HG GLU 21 -15.553 20.459 -5.621 169 H LEU 22 H LEU 22 -12.631 21.599 -1.977 170 HA LEU 22 HA LEU 22 -11.391 19.289 -0.916 171 HB2 LEU 22 2HB LEU 22 -10.140 21.317 -1.188 172 HB3 LEU 22 3HB LEU 22 -11.237 22.189 -0.119 173 HG LEU 22 HG LEU 22 -9.776 19.867 1.017 174 HD11 LEU 22 1HD1 LEU 22 -8.161 22.167 1.381 175 HD12 LEU 22 2HD1 LEU 22 -8.407 21.943 -0.350 176 HD13 LEU 22 3HD1 LEU 22 -7.737 20.633 0.621 177 HD21 LEU 22 3HD2 LEU 22 -9.863 22.452 2.392 178 HD22 LEU 22 1HD2 LEU 22 -10.288 20.841 2.970 179 HD23 LEU 22 2HD2 LEU 22 -11.447 21.770 2.019 180 H PHE 23 H PHE 23 -13.915 21.411 0.253 181 HA PHE 23 HA PHE 23 -13.915 20.666 2.954 182 HB2 PHE 23 2HB PHE 23 -15.717 22.059 1.123 183 HB3 PHE 23 3HB PHE 23 -16.573 21.157 2.370 184 HD1 PHE 23 HD1 PHE 23 -13.331 22.980 2.500 185 HD2 PHE 23 HD2 PHE 23 -17.346 22.715 3.888 186 HE1 PHE 23 HE1 PHE 23 -12.893 24.793 4.105 187 HE2 PHE 23 HE2 PHE 23 -16.914 24.528 5.494 188 HZ PHE 23 HZ PHE 23 -14.686 25.570 5.603 189 H MET 24 H MET 24 -15.760 19.353 0.212 190 HA MET 24 HA MET 24 -16.917 17.264 1.817 191 HB2 MET 24 2HB MET 24 -17.517 18.450 -0.635 192 HB3 MET 24 3HB MET 24 -17.037 16.809 -1.048 193 HG2 MET 24 2HG MET 24 -19.195 17.607 0.891 194 HG3 MET 24 3HG MET 24 -19.424 16.936 -0.722 195 HE1 MET 24 3HE MET 24 -20.839 15.336 -0.280 196 HE2 MET 24 1HE MET 24 -19.886 13.932 -0.761 197 HE3 MET 24 2HE MET 24 -20.713 13.945 0.797 198 H LYS 25 H LYS 25 -14.223 17.596 -0.400 199 HA LYS 25 HA LYS 25 -13.682 14.842 -0.744 200 HB2 LYS 25 2HB LYS 25 -12.792 16.667 -2.193 201 HB3 LYS 25 3HB LYS 25 -11.728 17.145 -0.877 202 HG2 LYS 25 2HG LYS 25 -11.473 14.329 -1.466 203 HG3 LYS 25 3HG LYS 25 -11.177 15.324 -2.894 204 HD2 LYS 25 2HD LYS 25 -9.889 15.886 -0.233 205 HD3 LYS 25 3HD LYS 25 -9.167 14.805 -1.427 206 HE2 LYS 25 2HE LYS 25 -9.756 16.997 -2.939 207 HE3 LYS 25 3HE LYS 25 -9.349 17.732 -1.389 208 HZ1 LYS 25 3HZ LYS 25 -7.422 17.464 -2.871 209 HZ2 LYS 25 1HZ LYS 25 -7.632 15.785 -2.831 210 HZ3 LYS 25 2HZ LYS 25 -7.237 16.623 -1.415 211 H SER 26 H SER 26 -12.630 17.221 1.632 212 HA SER 26 HA SER 26 -10.709 15.534 2.887 213 HB2 SER 26 2HB SER 26 -10.739 17.223 4.695 214 HB3 SER 26 3HB SER 26 -10.583 17.966 3.104 215 HG SER 26 HG SER 26 -12.301 18.642 4.859 216 H LEU 27 H LEU 27 -14.128 16.172 3.380 217 HA LEU 27 HA LEU 27 -14.335 14.793 5.863 218 HB2 LEU 27 2HB LEU 27 -15.978 16.411 4.332 219 HB3 LEU 27 3HB LEU 27 -16.769 14.837 4.278 220 HG LEU 27 HG LEU 27 -17.750 16.043 6.063 221 HD11 LEU 27 1HD1 LEU 27 -17.712 14.307 7.448 222 HD12 LEU 27 2HD1 LEU 27 -16.024 14.591 7.868 223 HD13 LEU 27 3HD1 LEU 27 -16.428 13.632 6.445 224 HD21 LEU 27 3HD2 LEU 27 -15.475 17.475 6.190 225 HD22 LEU 27 1HD2 LEU 27 -15.270 16.443 7.605 226 HD23 LEU 27 2HD2 LEU 27 -16.698 17.468 7.461 227 H ILE 28 H ILE 28 -15.183 13.910 2.521 228 HA ILE 28 HA ILE 28 -16.104 11.328 3.043 229 HB ILE 28 HB ILE 28 -16.489 12.329 0.889 230 HG12 ILE 28 2HG1 ILE 28 -15.813 10.483 -0.588 231 HG13 ILE 28 3HG1 ILE 28 -14.643 9.946 0.613 232 HG21 ILE 28 1HG2 ILE 28 -14.866 13.048 -0.593 233 HG22 ILE 28 2HG2 ILE 28 -14.169 13.486 0.966 234 HG23 ILE 28 3HG2 ILE 28 -13.613 12.037 0.128 235 HD11 ILE 28 3HD1 ILE 28 -16.658 8.586 0.644 236 HD12 ILE 28 1HD1 ILE 28 -16.447 9.454 2.165 237 HD13 ILE 28 2HD1 ILE 28 -17.628 10.019 0.982 238 H GLU 29 H GLU 29 -12.837 12.464 2.244 239 HA GLU 29 HA GLU 29 -11.635 9.903 2.230 240 HB2 GLU 29 2HB GLU 29 -9.541 11.046 2.173 241 HB3 GLU 29 3HB GLU 29 -10.673 11.989 1.212 242 HG2 GLU 29 2HG GLU 29 -10.948 13.573 3.003 243 HG3 GLU 29 3HG GLU 29 -9.939 12.594 4.067 244 H ASN 30 H ASN 30 -12.278 12.244 4.757 245 HA ASN 30 HA ASN 30 -10.639 11.011 6.737 246 HB2 ASN 30 2HB ASN 30 -11.149 13.293 7.099 247 HB3 ASN 30 3HB ASN 30 -12.873 13.030 6.854 248 HD21 ASN 30 1HD2 ASN 30 -14.116 12.655 8.567 249 HD22 ASN 30 2HD2 ASN 30 -13.542 12.377 10.173 250 H CYS 31 H CYS 31 -14.133 10.964 6.078 251 HA CYS 31 HA CYS 31 -14.781 9.188 8.183 252 HB2 CYS 31 2HB CYS 31 -16.227 9.929 5.639 253 HB3 CYS 31 3HB CYS 31 -16.912 8.850 6.848 254 HG CYS 31 HG CYS 31 -16.190 11.205 8.727 255 H LYS 32 H LYS 32 -14.187 8.684 4.722 256 HA LYS 32 HA LYS 32 -14.656 5.892 4.754 257 HB2 LYS 32 2HB LYS 32 -13.852 5.872 2.540 258 HB3 LYS 32 3HB LYS 32 -14.597 7.454 2.733 259 HG2 LYS 32 2HG LYS 32 -12.683 8.142 1.768 260 HG3 LYS 32 3HG LYS 32 -12.084 8.067 3.427 261 HD2 LYS 32 2HD LYS 32 -10.862 6.171 3.043 262 HD3 LYS 32 3HD LYS 32 -11.949 5.596 1.776 263 HE2 LYS 32 2HE LYS 32 -10.030 7.910 1.514 264 HE3 LYS 32 3HE LYS 32 -9.746 6.281 0.904 265 HZ1 LYS 32 3HZ LYS 32 -10.990 8.338 -0.422 266 HZ2 LYS 32 1HZ LYS 32 -12.249 7.295 0.013 267 HZ3 LYS 32 2HZ LYS 32 -10.945 6.714 -0.894 268 H LYS 33 H LYS 33 -11.899 7.860 5.532 269 HA LYS 33 HA LYS 33 -9.841 5.990 5.276 270 HB2 LYS 33 2HB LYS 33 -10.241 8.553 6.614 271 HB3 LYS 33 3HB LYS 33 -9.140 7.498 7.492 272 HG2 LYS 33 2HG LYS 33 -7.580 7.491 5.802 273 HG3 LYS 33 3HG LYS 33 -8.768 7.887 4.559 274 HD2 LYS 33 2HD LYS 33 -7.713 9.907 4.745 275 HD3 LYS 33 3HD LYS 33 -8.971 10.116 5.965 276 HE2 LYS 33 2HE LYS 33 -6.948 8.894 7.369 277 HE3 LYS 33 3HE LYS 33 -6.073 9.952 6.264 278 HZ1 LYS 33 3HZ LYS 33 -7.640 10.622 8.563 279 HZ2 LYS 33 1HZ LYS 33 -8.096 11.513 7.199 280 HZ3 LYS 33 2HZ LYS 33 -6.492 11.548 7.734 281 H ARG 34 H ARG 34 -12.435 6.136 7.506 282 HA ARG 34 HA ARG 34 -11.166 4.622 9.594 283 HB2 ARG 34 2HB ARG 34 -13.156 4.822 10.765 284 HB3 ARG 34 3HB ARG 34 -13.187 6.258 9.751 285 HG2 ARG 34 2HG ARG 34 -14.519 4.747 8.109 286 HG3 ARG 34 3HG ARG 34 -14.804 3.761 9.544 287 HD2 ARG 34 2HD ARG 34 -15.287 6.708 9.640 288 HD3 ARG 34 3HD ARG 34 -16.483 5.649 8.896 289 HE ARG 34 HE ARG 34 -15.646 4.821 11.524 290 HH11 ARG 34 1HH1 ARG 34 -17.871 6.773 9.691 291 HH12 ARG 34 2HH1 ARG 34 -19.071 6.812 10.941 292 HH21 ARG 34 1HH2 ARG 34 -17.218 4.864 13.177 293 HH22 ARG 34 2HH2 ARG 34 -18.697 5.726 12.923 294 H ASN 35 H ASN 35 -12.167 3.809 6.564 295 HA ASN 35 HA ASN 35 -12.558 1.003 7.354 296 HB2 ASN 35 2HB ASN 35 -14.579 2.545 6.328 297 HB3 ASN 35 3HB ASN 35 -13.924 1.797 4.875 298 HD21 ASN 35 1HD2 ASN 35 -15.938 1.414 7.533 299 HD22 ASN 35 2HD2 ASN 35 -16.249 -0.278 7.375 300 H MET 36 H MET 36 -12.178 2.922 4.367 301 HA MET 36 HA MET 36 -9.895 1.200 3.666 302 HB2 MET 36 2HB MET 36 -12.174 0.880 2.395 303 HB3 MET 36 3HB MET 36 -11.666 2.326 1.533 304 HG2 MET 36 2HG MET 36 -10.583 0.961 0.162 305 HG3 MET 36 3HG MET 36 -9.421 0.745 1.469 306 HE1 MET 36 3HE MET 36 -9.832 -2.701 2.715 307 HE2 MET 36 1HE MET 36 -9.005 -1.143 2.736 308 HE3 MET 36 2HE MET 36 -10.528 -1.344 3.602 309 HA PRO 37 HA PRO 37 -8.634 5.661 3.618 310 HB2 PRO 37 2HB PRO 37 -6.264 5.240 4.874 311 HB3 PRO 37 3HB PRO 37 -7.780 5.504 5.745 312 HG2 PRO 37 2HG PRO 37 -6.371 2.936 5.131 313 HG3 PRO 37 3HG PRO 37 -7.152 3.451 6.637 314 HD2 PRO 37 2HD PRO 37 -8.344 1.772 4.878 315 HD3 PRO 37 3HD PRO 37 -9.261 2.923 5.871 316 H LEU 38 H LEU 38 -7.232 6.612 2.188 317 HA LEU 38 HA LEU 38 -5.989 4.855 0.246 318 HB2 LEU 38 2HB LEU 38 -7.069 7.503 0.264 319 HB3 LEU 38 3HB LEU 38 -5.413 7.557 -0.335 320 HG LEU 38 HG LEU 38 -6.939 7.376 -2.189 321 HD11 LEU 38 1HD1 LEU 38 -4.804 6.212 -2.377 322 HD12 LEU 38 2HD1 LEU 38 -6.074 5.362 -3.257 323 HD13 LEU 38 3HD1 LEU 38 -5.529 4.757 -1.692 324 HD21 LEU 38 3HD2 LEU 38 -8.003 4.988 -0.701 325 HD22 LEU 38 1HD2 LEU 38 -8.305 5.262 -2.416 326 HD23 LEU 38 2HD2 LEU 38 -8.877 6.428 -1.223 327 H GLN 39 H GLN 39 -3.858 6.249 -0.674 328 HA GLN 39 HA GLN 39 -1.853 5.622 1.260 329 HB2 GLN 39 2HB GLN 39 -1.351 5.228 -1.048 330 HB3 GLN 39 3HB GLN 39 -1.724 6.892 -1.474 331 HG2 GLN 39 2HG GLN 39 0.344 6.759 0.535 332 HG3 GLN 39 3HG GLN 39 0.771 5.827 -0.899 333 HE21 GLN 39 1HE2 GLN 39 1.744 8.421 0.245 334 HE22 GLN 39 2HE2 GLN 39 1.653 9.537 -1.070 335 H SER 40 H SER 40 -3.241 8.599 -0.019 336 HA SER 40 HA SER 40 -2.411 10.058 2.308 337 HB2 SER 40 2HB SER 40 -0.330 10.327 1.214 338 HB3 SER 40 3HB SER 40 -1.095 10.571 -0.356 339 HG SER 40 HG SER 40 -0.272 12.478 0.952 340 H ILE 41 H ILE 41 -2.987 11.145 -1.024 341 HA ILE 41 HA ILE 41 -5.431 12.483 -0.065 342 HB ILE 41 HB ILE 41 -3.687 13.272 -2.401 343 HG12 ILE 41 2HG1 ILE 41 -2.550 13.695 -0.290 344 HG13 ILE 41 3HG1 ILE 41 -3.081 15.217 -0.995 345 HG21 ILE 41 1HG2 ILE 41 -6.310 14.195 -1.389 346 HG22 ILE 41 2HG2 ILE 41 -5.175 15.435 -1.921 347 HG23 ILE 41 3HG2 ILE 41 -5.674 14.162 -3.034 348 HD11 ILE 41 3HD1 ILE 41 -5.163 14.341 0.673 349 HD12 ILE 41 1HD1 ILE 41 -3.661 14.116 1.570 350 HD13 ILE 41 2HD1 ILE 41 -4.070 15.703 0.917 351 HA PRO 42 HA PRO 42 -7.151 9.367 -2.886 352 HB2 PRO 42 2HB PRO 42 -9.637 9.459 -1.798 353 HB3 PRO 42 3HB PRO 42 -8.319 8.507 -1.104 354 HG2 PRO 42 2HG PRO 42 -9.334 11.206 -0.299 355 HG3 PRO 42 3HG PRO 42 -8.866 9.836 0.725 356 HD2 PRO 42 2HD PRO 42 -7.237 11.955 0.291 357 HD3 PRO 42 3HD PRO 42 -6.618 10.311 0.548 358 H GLU 43 H GLU 43 -7.416 10.237 -4.861 359 HA GLU 43 HA GLU 43 -9.756 11.878 -5.344 360 HB2 GLU 43 2HB GLU 43 -7.455 13.237 -4.907 361 HB3 GLU 43 3HB GLU 43 -7.329 12.962 -6.639 362 HG2 GLU 43 2HG GLU 43 -9.632 14.291 -5.229 363 HG3 GLU 43 3HG GLU 43 -8.366 15.105 -6.146 364 H ILE 44 H ILE 44 -10.569 11.654 -7.394 365 HA ILE 44 HA ILE 44 -8.988 10.340 -9.448 366 HB ILE 44 HB ILE 44 -11.557 9.111 -8.442 367 HG12 ILE 44 2HG1 ILE 44 -8.708 8.093 -8.348 368 HG13 ILE 44 3HG1 ILE 44 -9.647 8.652 -6.968 369 HG21 ILE 44 1HG2 ILE 44 -10.385 9.042 -10.997 370 HG22 ILE 44 2HG2 ILE 44 -10.076 7.471 -10.259 371 HG23 ILE 44 3HG2 ILE 44 -11.729 8.072 -10.395 372 HD11 ILE 44 3HD1 ILE 44 -11.163 6.812 -7.185 373 HD12 ILE 44 1HD1 ILE 44 -10.391 6.299 -8.685 374 HD13 ILE 44 2HD1 ILE 44 -9.511 6.194 -7.160 375 H GLY 45 H GLY 45 -9.304 11.556 -11.187 376 HA2 GLY 45 2HA GLY 45 -10.751 12.181 -13.001 377 HA3 GLY 45 3HA GLY 45 -12.058 12.367 -11.841 378 H ASN 46 H ASN 46 -12.020 14.203 -10.414 379 HA ASN 46 HA ASN 46 -10.143 16.264 -10.501 380 HB2 ASN 46 2HB ASN 46 -11.501 17.926 -11.866 381 HB3 ASN 46 3HB ASN 46 -10.664 16.677 -12.782 382 HD21 ASN 46 1HD2 ASN 46 -11.844 15.065 -13.789 383 HD22 ASN 46 2HD2 ASN 46 -13.552 15.180 -14.024 384 H ARG 47 H ARG 47 -11.737 14.986 -8.580 385 HA ARG 47 HA ARG 47 -12.946 15.462 -6.713 386 HB2 ARG 47 2HB ARG 47 -12.894 18.365 -7.511 387 HB3 ARG 47 3HB ARG 47 -12.974 17.679 -5.893 388 HG2 ARG 47 2HG ARG 47 -10.678 16.833 -6.166 389 HG3 ARG 47 3HG ARG 47 -10.607 17.604 -7.751 390 HD2 ARG 47 2HD ARG 47 -11.036 19.004 -5.114 391 HD3 ARG 47 3HD ARG 47 -9.536 18.981 -6.040 392 HE ARG 47 HE ARG 47 -11.776 20.674 -6.472 393 HH11 ARG 47 1HH1 ARG 47 -9.246 18.945 -8.125 394 HH12 ARG 47 2HH1 ARG 47 -9.219 20.021 -9.483 395 HH21 ARG 47 1HH2 ARG 47 -11.750 22.098 -8.254 396 HH22 ARG 47 2HH2 ARG 47 -10.643 21.814 -9.555 397 H LYS 48 H LYS 48 -14.944 14.671 -6.886 398 HA LYS 48 HA LYS 48 -17.032 16.406 -7.959 399 HB2 LYS 48 2HB LYS 48 -16.235 13.773 -9.072 400 HB3 LYS 48 3HB LYS 48 -17.961 14.072 -8.915 401 HG2 LYS 48 2HG LYS 48 -17.909 15.865 -10.404 402 HG3 LYS 48 3HG LYS 48 -16.160 16.051 -10.260 403 HD2 LYS 48 2HD LYS 48 -16.210 13.569 -11.213 404 HD3 LYS 48 3HD LYS 48 -17.747 14.129 -11.876 405 HE2 LYS 48 2HE LYS 48 -16.078 16.218 -12.445 406 HE3 LYS 48 3HE LYS 48 -15.002 14.831 -12.617 407 HZ1 LYS 48 3HZ LYS 48 -16.804 15.750 -14.473 408 HZ2 LYS 48 1HZ LYS 48 -17.519 14.348 -13.852 409 HZ3 LYS 48 2HZ LYS 48 -15.967 14.281 -14.521 410 H ILE 49 H ILE 49 -16.005 15.101 -5.351 411 HA ILE 49 HA ILE 49 -18.303 13.541 -4.520 412 HB ILE 49 HB ILE 49 -16.229 14.506 -2.598 413 HG12 ILE 49 2HG1 ILE 49 -14.877 13.809 -4.470 414 HG13 ILE 49 3HG1 ILE 49 -14.812 12.548 -3.243 415 HG21 ILE 49 1HG2 ILE 49 -17.567 11.824 -2.887 416 HG22 ILE 49 2HG2 ILE 49 -16.650 12.425 -1.507 417 HG23 ILE 49 3HG2 ILE 49 -18.208 13.144 -1.910 418 HD11 ILE 49 3HD1 ILE 49 -15.369 11.097 -4.812 419 HD12 ILE 49 1HD1 ILE 49 -16.951 11.869 -4.903 420 HD13 ILE 49 2HD1 ILE 49 -15.652 12.390 -5.976 421 H ASN 50 H ASN 50 -17.728 16.758 -4.875 422 HA ASN 50 HA ASN 50 -18.854 17.768 -2.447 423 HB2 ASN 50 2HB ASN 50 -17.321 19.112 -3.833 424 HB3 ASN 50 3HB ASN 50 -18.511 19.123 -5.131 425 HD21 ASN 50 1HD2 ASN 50 -18.843 19.555 -1.632 426 HD22 ASN 50 2HD2 ASN 50 -19.574 21.118 -1.721 427 H LEU 51 H LEU 51 -20.894 18.800 -2.200 428 HA LEU 51 HA LEU 51 -23.041 17.373 -3.425 429 HB2 LEU 51 2HB LEU 51 -23.314 18.015 -1.165 430 HB3 LEU 51 3HB LEU 51 -22.921 19.695 -1.520 431 HG LEU 51 HG LEU 51 -25.059 19.832 -2.817 432 HD11 LEU 51 1HD1 LEU 51 -26.685 17.943 -1.871 433 HD12 LEU 51 2HD1 LEU 51 -25.188 17.013 -1.930 434 HD13 LEU 51 3HD1 LEU 51 -25.810 17.775 -3.394 435 HD21 LEU 51 3HD2 LEU 51 -24.839 19.430 0.112 436 HD22 LEU 51 1HD2 LEU 51 -26.460 19.514 -0.578 437 HD23 LEU 51 2HD2 LEU 51 -25.336 20.853 -0.806 438 H PHE 52 H PHE 52 -21.383 20.305 -4.117 439 HA PHE 52 HA PHE 52 -23.533 21.296 -5.826 440 HB2 PHE 52 2HB PHE 52 -22.005 22.731 -4.259 441 HB3 PHE 52 3HB PHE 52 -20.850 22.611 -5.582 442 HD1 PHE 52 HD1 PHE 52 -21.320 23.644 -7.741 443 HD2 PHE 52 HD2 PHE 52 -23.991 24.055 -4.452 444 HE1 PHE 52 HE1 PHE 52 -22.436 25.514 -8.886 445 HE2 PHE 52 HE2 PHE 52 -25.112 25.925 -5.592 446 HZ PHE 52 HZ PHE 52 -24.336 26.657 -7.812 447 H TYR 53 H TYR 53 -20.321 19.902 -6.015 448 HA TYR 53 HA TYR 53 -19.995 20.331 -8.821 449 HB2 TYR 53 2HB TYR 53 -18.207 19.849 -6.966 450 HB3 TYR 53 3HB TYR 53 -18.556 18.163 -7.333 451 HD1 TYR 53 HD2 TYR 53 -18.665 17.760 -10.039 452 HD2 TYR 53 HD1 TYR 53 -16.362 20.718 -8.026 453 HE1 TYR 53 HE2 TYR 53 -17.123 17.853 -11.952 454 HE2 TYR 53 HE1 TYR 53 -14.815 20.820 -9.935 455 HH TYR 53 HH TYR 53 -15.221 20.163 -12.670 456 H LEU 54 H LEU 54 -20.763 17.458 -6.860 457 HA LEU 54 HA LEU 54 -21.105 15.663 -8.969 458 HB2 LEU 54 2HB LEU 54 -21.094 15.382 -6.341 459 HB3 LEU 54 3HB LEU 54 -22.841 15.445 -6.563 460 HG LEU 54 HG LEU 54 -21.117 13.495 -8.067 461 HD11 LEU 54 1HD1 LEU 54 -20.974 12.083 -6.338 462 HD12 LEU 54 2HD1 LEU 54 -22.592 12.473 -5.757 463 HD13 LEU 54 3HD1 LEU 54 -21.232 13.517 -5.344 464 HD21 LEU 54 3HD2 LEU 54 -23.448 12.281 -7.779 465 HD22 LEU 54 1HD2 LEU 54 -23.160 13.438 -9.078 466 HD23 LEU 54 2HD2 LEU 54 -24.021 13.942 -7.624 467 H TYR 55 H TYR 55 -23.271 18.054 -7.618 468 HA TYR 55 HA TYR 55 -25.602 17.086 -8.983 469 HB2 TYR 55 2HB TYR 55 -25.900 18.316 -6.930 470 HB3 TYR 55 3HB TYR 55 -25.020 19.697 -7.575 471 HD1 TYR 55 HD1 TYR 55 -27.935 17.587 -8.613 472 HD2 TYR 55 HD2 TYR 55 -26.328 21.499 -8.146 473 HE1 TYR 55 HE1 TYR 55 -30.049 18.546 -9.424 474 HE2 TYR 55 HE2 TYR 55 -28.438 22.468 -8.955 475 HH TYR 55 HH TYR 55 -30.610 22.024 -9.421 476 H MET 56 H MET 56 -23.340 19.781 -9.461 477 HA MET 56 HA MET 56 -24.565 20.915 -11.701 478 HB2 MET 56 2HB MET 56 -22.663 21.865 -10.308 479 HB3 MET 56 3HB MET 56 -21.586 20.832 -11.238 480 HG2 MET 56 2HG MET 56 -21.410 22.518 -12.665 481 HG3 MET 56 3HG MET 56 -23.051 22.128 -13.174 482 HE1 MET 56 3HE MET 56 -22.004 25.929 -12.846 483 HE2 MET 56 1HE MET 56 -21.092 25.435 -11.419 484 HE3 MET 56 2HE MET 56 -20.959 24.509 -12.914 485 H LEU 57 H LEU 57 -22.331 18.216 -11.411 486 HA LEU 57 HA LEU 57 -21.709 17.932 -14.143 487 HB2 LEU 57 2HB LEU 57 -20.535 16.860 -12.196 488 HB3 LEU 57 3HB LEU 57 -21.875 15.718 -12.109 489 HG LEU 57 HG LEU 57 -21.271 15.176 -14.563 490 HD11 LEU 57 1HD1 LEU 57 -18.705 16.455 -13.633 491 HD12 LEU 57 2HD1 LEU 57 -19.753 17.039 -14.924 492 HD13 LEU 57 3HD1 LEU 57 -18.907 15.503 -15.103 493 HD21 LEU 57 3HD2 LEU 57 -19.737 14.378 -12.118 494 HD22 LEU 57 1HD2 LEU 57 -19.348 13.692 -13.695 495 HD23 LEU 57 2HD2 LEU 57 -20.960 13.474 -13.013 496 H VAL 58 H VAL 58 -24.183 16.356 -12.132 497 HA VAL 58 HA VAL 58 -25.287 14.744 -14.147 498 HB VAL 58 HB VAL 58 -26.766 15.916 -11.789 499 HG11 VAL 58 1HG1 VAL 58 -28.464 14.866 -12.821 500 HG12 VAL 58 2HG1 VAL 58 -27.387 13.895 -13.827 501 HG13 VAL 58 3HG1 VAL 58 -27.725 13.405 -12.166 502 HG21 VAL 58 3HG2 VAL 58 -25.454 14.730 -10.446 503 HG22 VAL 58 1HG2 VAL 58 -25.933 13.259 -11.293 504 HG23 VAL 58 2HG2 VAL 58 -24.518 14.164 -11.829 505 H GLN 59 H GLN 59 -26.286 17.949 -12.961 506 HA GLN 59 HA GLN 59 -28.449 18.273 -14.729 507 HB2 GLN 59 2HB GLN 59 -27.580 19.656 -12.604 508 HB3 GLN 59 3HB GLN 59 -26.933 20.681 -13.879 509 HG2 GLN 59 2HG GLN 59 -29.789 19.831 -13.972 510 HG3 GLN 59 3HG GLN 59 -29.294 21.138 -12.899 511 HE21 GLN 59 1HE2 GLN 59 -28.211 22.972 -13.867 512 HE22 GLN 59 2HE2 GLN 59 -28.598 23.426 -15.489 513 H LYS 60 H LYS 60 -25.021 18.951 -15.046 514 HA LYS 60 HA LYS 60 -25.201 20.475 -17.434 515 HB2 LYS 60 2HB LYS 60 -23.031 19.138 -15.903 516 HB3 LYS 60 3HB LYS 60 -22.707 19.517 -17.589 517 HG2 LYS 60 2HG LYS 60 -23.864 21.675 -15.933 518 HG3 LYS 60 3HG LYS 60 -22.195 21.208 -15.600 519 HD2 LYS 60 2HD LYS 60 -21.765 22.728 -17.224 520 HD3 LYS 60 3HD LYS 60 -22.090 21.349 -18.277 521 HE2 LYS 60 2HE LYS 60 -24.594 22.425 -17.761 522 HE3 LYS 60 3HE LYS 60 -23.552 23.833 -17.961 523 HZ1 LYS 60 3HZ LYS 60 -23.755 21.587 -19.893 524 HZ2 LYS 60 1HZ LYS 60 -22.844 23.000 -20.090 525 HZ3 LYS 60 2HZ LYS 60 -24.534 23.080 -20.059 526 H PHE 61 H PHE 61 -24.892 17.042 -16.752 527 HA PHE 61 HA PHE 61 -24.413 16.296 -19.477 528 HB2 PHE 61 2HB PHE 61 -24.480 14.989 -16.914 529 HB3 PHE 61 3HB PHE 61 -25.443 14.077 -18.071 530 HD1 PHE 61 HD1 PHE 61 -24.397 13.233 -20.151 531 HD2 PHE 61 HD2 PHE 61 -22.119 15.045 -17.045 532 HE1 PHE 61 HE1 PHE 61 -22.345 12.253 -21.090 533 HE2 PHE 61 HE2 PHE 61 -20.063 14.069 -17.980 534 HZ PHE 61 HZ PHE 61 -20.174 12.672 -20.005 535 H GLY 62 H GLY 62 -27.129 17.354 -17.843 536 HA2 GLY 62 2HA GLY 62 -29.179 17.730 -19.013 537 HA3 GLY 62 3HA GLY 62 -28.856 16.293 -19.972 538 H GLY 63 H GLY 63 -28.431 16.284 -16.512 539 HA2 GLY 63 2HA GLY 63 -29.846 15.489 -14.826 540 HA3 GLY 63 3HA GLY 63 -31.055 15.120 -16.047 541 H ALA 64 H ALA 64 -30.140 13.456 -13.849 542 HA ALA 64 HA ALA 64 -28.341 11.473 -14.545 543 HB1 ALA 64 1HB ALA 64 -30.298 11.874 -12.527 544 HB2 ALA 64 2HB ALA 64 -30.478 10.234 -13.152 545 HB3 ALA 64 3HB ALA 64 -28.920 10.772 -12.524 546 H ASP 65 H ASP 65 -31.658 11.924 -15.566 547 HA ASP 65 HA ASP 65 -32.100 9.353 -16.639 548 HB2 ASP 65 2HB ASP 65 -33.314 12.027 -17.358 549 HB3 ASP 65 3HB ASP 65 -33.897 10.481 -17.969 550 H GLN 66 H GLN 66 -30.669 12.280 -17.972 551 HA GLN 66 HA GLN 66 -30.524 11.370 -20.654 552 HB2 GLN 66 2HB GLN 66 -30.383 13.737 -20.136 553 HB3 GLN 66 3HB GLN 66 -28.922 13.475 -19.193 554 HG2 GLN 66 2HG GLN 66 -27.599 13.294 -21.025 555 HG3 GLN 66 3HG GLN 66 -28.883 12.612 -22.023 556 HE21 GLN 66 1HE2 GLN 66 -27.053 14.721 -22.701 557 HE22 GLN 66 2HE2 GLN 66 -28.004 16.123 -23.036 558 H VAL 67 H VAL 67 -28.331 11.187 -17.902 559 HA VAL 67 HA VAL 67 -26.097 10.181 -19.325 560 HB VAL 67 HB VAL 67 -26.728 9.697 -16.413 561 HG11 VAL 67 1HG1 VAL 67 -23.981 10.129 -17.441 562 HG12 VAL 67 2HG1 VAL 67 -24.554 9.090 -16.134 563 HG13 VAL 67 3HG1 VAL 67 -24.755 8.589 -17.814 564 HG21 VAL 67 3HG2 VAL 67 -25.452 12.086 -17.738 565 HG22 VAL 67 1HG2 VAL 67 -26.940 12.053 -16.791 566 HG23 VAL 67 2HG2 VAL 67 -25.388 11.760 -16.006 567 H THR 68 H THR 68 -28.810 8.640 -17.678 568 HA THR 68 HA THR 68 -27.780 5.979 -18.108 569 HB THR 68 HB THR 68 -29.154 6.454 -16.131 570 HG1 THR 68 HG1 THR 68 -30.830 4.719 -16.714 571 HG21 THR 68 3HG2 THR 68 -30.635 8.132 -17.231 572 HG22 THR 68 1HG2 THR 68 -31.510 6.922 -16.292 573 HG23 THR 68 2HG2 THR 68 -31.457 6.805 -18.051 574 H ARG 69 H ARG 69 -29.865 8.204 -19.758 575 HA ARG 69 HA ARG 69 -31.414 6.507 -21.311 576 HB2 ARG 69 2HB ARG 69 -31.924 8.804 -21.409 577 HB3 ARG 69 3HB ARG 69 -30.273 9.240 -21.830 578 HG2 ARG 69 2HG ARG 69 -31.811 9.471 -23.721 579 HG3 ARG 69 3HG ARG 69 -30.545 8.281 -24.033 580 HD2 ARG 69 2HD ARG 69 -32.653 7.418 -24.814 581 HD3 ARG 69 3HD ARG 69 -32.133 6.490 -23.408 582 HE ARG 69 HE ARG 69 -33.754 8.456 -22.402 583 HH11 ARG 69 1HH1 ARG 69 -34.088 5.910 -24.753 584 HH12 ARG 69 2HH1 ARG 69 -35.781 5.686 -24.464 585 HH21 ARG 69 1HH2 ARG 69 -35.984 8.171 -22.012 586 HH22 ARG 69 2HH2 ARG 69 -36.859 6.974 -22.905 587 H THR 70 H THR 70 -28.130 7.704 -21.898 588 HA THR 70 HA THR 70 -27.921 5.952 -24.240 589 HB THR 70 HB THR 70 -27.201 8.189 -24.706 590 HG1 THR 70 HG1 THR 70 -24.821 6.687 -24.288 591 HG21 THR 70 3HG2 THR 70 -26.773 8.986 -22.462 592 HG22 THR 70 1HG2 THR 70 -25.336 9.237 -23.451 593 HG23 THR 70 2HG2 THR 70 -25.394 7.899 -22.304 594 H GLN 71 H GLN 71 -27.485 5.648 -21.050 595 HA GLN 71 HA GLN 71 -26.317 4.225 -19.715 596 HB2 GLN 71 2HB GLN 71 -26.885 2.754 -21.835 597 HB3 GLN 71 3HB GLN 71 -25.146 2.829 -22.082 598 HG2 GLN 71 2HG GLN 71 -25.625 2.188 -19.360 599 HG3 GLN 71 3HG GLN 71 -26.619 1.133 -20.363 600 HE21 GLN 71 1HE2 GLN 71 -24.059 0.839 -18.721 601 HE22 GLN 71 2HE2 GLN 71 -22.992 -0.007 -19.784 602 H GLN 72 H GLN 72 -25.093 6.588 -20.039 603 HA GLN 72 HA GLN 72 -22.266 5.963 -20.551 604 HB2 GLN 72 2HB GLN 72 -23.354 7.850 -21.827 605 HB3 GLN 72 3HB GLN 72 -23.504 8.703 -20.297 606 HG2 GLN 72 2HG GLN 72 -21.402 9.392 -20.379 607 HG3 GLN 72 3HG GLN 72 -20.809 7.764 -20.705 608 HE21 GLN 72 1HE2 GLN 72 -21.049 7.012 -22.966 609 HE22 GLN 72 2HE2 GLN 72 -20.794 8.162 -24.230 610 H TRP 73 H TRP 73 -24.377 6.094 -18.066 611 HA TRP 73 HA TRP 73 -23.158 7.661 -16.106 612 HB2 TRP 73 2HB TRP 73 -25.359 6.759 -15.735 613 HB3 TRP 73 3HB TRP 73 -24.757 5.108 -15.861 614 HD1 TRP 73 HD1 TRP 73 -24.921 4.071 -13.530 615 HE1 TRP 73 HE1 TRP 73 -24.300 4.795 -11.139 616 HE3 TRP 73 HE3 TRP 73 -23.402 8.855 -14.499 617 HZ2 TRP 73 HZ2 TRP 73 -23.300 7.090 -9.836 618 HZ3 TRP 73 HZ3 TRP 73 -22.628 10.249 -12.625 619 HH2 TRP 73 HH2 TRP 73 -22.580 9.383 -10.342 620 H SER 74 H SER 74 -22.401 4.442 -17.263 621 HA SER 74 HA SER 74 -20.668 3.678 -15.170 622 HB2 SER 74 2HB SER 74 -20.117 1.836 -16.487 623 HB3 SER 74 3HB SER 74 -21.712 2.264 -17.104 624 HG SER 74 HG SER 74 -19.317 2.260 -18.375 625 H MET 75 H MET 75 -20.157 5.443 -18.177 626 HA MET 75 HA MET 75 -17.312 5.507 -17.969 627 HB2 MET 75 2HB MET 75 -19.313 6.389 -19.830 628 HB3 MET 75 3HB MET 75 -18.191 7.706 -19.514 629 HG2 MET 75 2HG MET 75 -17.301 6.579 -21.352 630 HG3 MET 75 3HG MET 75 -16.337 6.041 -19.979 631 HE1 MET 75 3HE MET 75 -15.850 2.873 -20.396 632 HE2 MET 75 1HE MET 75 -16.038 3.192 -22.121 633 HE3 MET 75 2HE MET 75 -15.345 4.425 -21.067 634 H VAL 76 H VAL 76 -19.882 7.859 -17.263 635 HA VAL 76 HA VAL 76 -18.165 9.916 -16.370 636 HB VAL 76 HB VAL 76 -21.049 9.432 -15.607 637 HG11 VAL 76 1HG1 VAL 76 -19.129 11.615 -15.076 638 HG12 VAL 76 2HG1 VAL 76 -20.760 12.096 -15.549 639 HG13 VAL 76 3HG1 VAL 76 -20.517 11.068 -14.136 640 HG21 VAL 76 3HG2 VAL 76 -21.440 11.180 -17.410 641 HG22 VAL 76 1HG2 VAL 76 -19.788 10.856 -17.936 642 HG23 VAL 76 2HG2 VAL 76 -20.991 9.566 -17.960 643 H ALA 77 H ALA 77 -20.028 7.457 -14.600 644 HA ALA 77 HA ALA 77 -19.367 8.209 -12.010 645 HB1 ALA 77 1HB ALA 77 -19.698 5.725 -11.498 646 HB2 ALA 77 2HB ALA 77 -21.047 6.596 -12.229 647 HB3 ALA 77 3HB ALA 77 -20.035 5.546 -13.220 648 H GLN 78 H GLN 78 -17.565 6.250 -14.321 649 HA GLN 78 HA GLN 78 -15.576 5.327 -12.555 650 HB2 GLN 78 2HB GLN 78 -15.914 4.311 -14.739 651 HB3 GLN 78 3HB GLN 78 -15.459 5.812 -15.536 652 HG2 GLN 78 2HG GLN 78 -13.334 5.156 -13.825 653 HG3 GLN 78 3HG GLN 78 -13.805 3.661 -14.633 654 HE21 GLN 78 1HE2 GLN 78 -14.398 4.205 -17.079 655 HE22 GLN 78 2HE2 GLN 78 -13.141 5.042 -17.917 656 H ARG 79 H ARG 79 -15.958 8.316 -14.332 657 HA ARG 79 HA ARG 79 -13.353 9.305 -14.182 658 HB2 ARG 79 2HB ARG 79 -15.850 10.260 -15.023 659 HB3 ARG 79 3HB ARG 79 -15.308 11.402 -13.801 660 HG2 ARG 79 2HG ARG 79 -14.259 12.377 -15.520 661 HG3 ARG 79 3HG ARG 79 -13.049 11.119 -15.261 662 HD2 ARG 79 2HD ARG 79 -15.345 10.402 -16.976 663 HD3 ARG 79 3HD ARG 79 -14.221 11.591 -17.634 664 HE ARG 79 HE ARG 79 -12.617 9.587 -16.723 665 HH11 ARG 79 1HH1 ARG 79 -15.322 9.754 -18.907 666 HH12 ARG 79 2HH1 ARG 79 -14.786 8.425 -19.881 667 HH21 ARG 79 1HH2 ARG 79 -11.899 7.836 -17.997 668 HH22 ARG 79 2HH2 ARG 79 -12.839 7.334 -19.362 669 H LEU 80 H LEU 80 -16.024 9.538 -11.867 670 HA LEU 80 HA LEU 80 -14.255 10.854 -9.944 671 HB2 LEU 80 2HB LEU 80 -16.421 10.952 -8.587 672 HB3 LEU 80 3HB LEU 80 -16.291 11.969 -10.021 673 HG LEU 80 HG LEU 80 -17.581 9.314 -10.341 674 HD11 LEU 80 1HD1 LEU 80 -19.668 10.007 -9.461 675 HD12 LEU 80 2HD1 LEU 80 -19.077 11.639 -9.156 676 HD13 LEU 80 3HD1 LEU 80 -18.469 10.289 -8.199 677 HD21 LEU 80 3HD2 LEU 80 -18.759 10.378 -12.044 678 HD22 LEU 80 1HD2 LEU 80 -17.162 11.121 -12.124 679 HD23 LEU 80 2HD2 LEU 80 -18.497 11.982 -11.358 680 H GLN 81 H GLN 81 -15.069 7.780 -10.812 681 HA GLN 81 HA GLN 81 -14.781 5.740 -9.849 682 HB2 GLN 81 2HB GLN 81 -12.662 6.847 -9.050 683 HB3 GLN 81 3HB GLN 81 -13.499 7.215 -7.548 684 HG2 GLN 81 2HG GLN 81 -12.640 5.281 -6.845 685 HG3 GLN 81 3HG GLN 81 -13.956 4.552 -7.764 686 HE21 GLN 81 1HE2 GLN 81 -13.074 4.937 -10.336 687 HE22 GLN 81 2HE2 GLN 81 -11.642 4.006 -10.599 688 H ILE 82 H ILE 82 -17.262 6.742 -9.565 689 HA ILE 82 HA ILE 82 -18.015 6.328 -6.758 690 HB ILE 82 HB ILE 82 -18.862 8.377 -7.830 691 HG12 ILE 82 2HG1 ILE 82 -21.109 6.422 -7.314 692 HG13 ILE 82 3HG1 ILE 82 -20.139 7.150 -6.038 693 HG21 ILE 82 1HG2 ILE 82 -20.255 6.454 -9.686 694 HG22 ILE 82 2HG2 ILE 82 -20.620 8.175 -9.568 695 HG23 ILE 82 3HG2 ILE 82 -19.029 7.647 -10.114 696 HD11 ILE 82 3HD1 ILE 82 -20.865 9.390 -6.969 697 HD12 ILE 82 1HD1 ILE 82 -22.048 8.491 -7.919 698 HD13 ILE 82 2HD1 ILE 82 -22.098 8.426 -6.157 699 H SER 83 H SER 83 -18.341 4.998 -9.960 700 HA SER 83 HA SER 83 -19.673 2.655 -8.804 701 HB2 SER 83 2HB SER 83 -20.512 3.785 -11.475 702 HB3 SER 83 3HB SER 83 -21.307 2.529 -10.527 703 HG SER 83 HG SER 83 -22.037 4.926 -10.505 704 H ASP 84 H ASP 84 -17.298 2.099 -8.970 705 HA ASP 84 HA ASP 84 -16.502 1.329 -11.683 706 HB2 ASP 84 2HB ASP 84 -15.055 1.925 -9.166 707 HB3 ASP 84 3HB ASP 84 -14.364 0.660 -10.179 708 H TYR 85 H TYR 85 -18.443 -0.258 -11.208 709 HA TYR 85 HA TYR 85 -19.013 -2.468 -11.190 710 HB2 TYR 85 2HB TYR 85 -16.412 -2.596 -11.855 711 HB3 TYR 85 3HB TYR 85 -16.345 -3.415 -10.298 712 HD1 TYR 85 HD2 TYR 85 -18.881 -3.459 -13.044 713 HD2 TYR 85 HD1 TYR 85 -16.144 -5.687 -10.667 714 HE1 TYR 85 HE2 TYR 85 -19.655 -5.536 -14.109 715 HE2 TYR 85 HE1 TYR 85 -16.909 -7.770 -11.726 716 HH TYR 85 HH TYR 85 -19.248 -7.731 -14.376 717 H GLN 86 H GLN 86 -17.585 -4.391 -9.350 718 HA GLN 86 HA GLN 86 -19.292 -4.337 -7.196 719 HB2 GLN 86 2HB GLN 86 -17.662 -5.808 -6.048 720 HB3 GLN 86 3HB GLN 86 -17.968 -6.294 -7.711 721 HG2 GLN 86 2HG GLN 86 -15.884 -5.362 -8.432 722 HG3 GLN 86 3HG GLN 86 -15.597 -4.662 -6.840 723 HE21 GLN 86 1HE2 GLN 86 -14.411 -6.881 -8.706 724 HE22 GLN 86 2HE2 GLN 86 -14.035 -8.139 -7.583 725 H GLN 87 H GLN 87 -16.270 -2.626 -7.629 726 HA GLN 87 HA GLN 87 -15.742 -1.873 -5.002 727 HB2 GLN 87 2HB GLN 87 -15.193 -0.518 -7.635 728 HB3 GLN 87 3HB GLN 87 -14.669 0.178 -6.107 729 HG2 GLN 87 2HG GLN 87 -13.867 -2.538 -6.144 730 HG3 GLN 87 3HG GLN 87 -13.404 -1.809 -7.681 731 HE21 GLN 87 1HE2 GLN 87 -13.450 -0.899 -4.247 732 HE22 GLN 87 2HE2 GLN 87 -11.855 -0.237 -4.227 733 H LEU 88 H LEU 88 -18.156 -0.744 -7.222 734 HA LEU 88 HA LEU 88 -18.757 1.764 -6.224 735 HB2 LEU 88 2HB LEU 88 -20.783 1.606 -7.328 736 HB3 LEU 88 3HB LEU 88 -19.759 0.475 -8.210 737 HG LEU 88 HG LEU 88 -20.869 -1.244 -6.503 738 HD11 LEU 88 1HD1 LEU 88 -22.720 1.101 -6.615 739 HD12 LEU 88 2HD1 LEU 88 -22.269 0.094 -5.239 740 HD13 LEU 88 3HD1 LEU 88 -23.358 -0.537 -6.474 741 HD21 LEU 88 3HD2 LEU 88 -21.498 -2.046 -8.472 742 HD22 LEU 88 1HD2 LEU 88 -21.257 -0.463 -9.213 743 HD23 LEU 88 2HD2 LEU 88 -22.823 -0.882 -8.518 744 H GLU 89 H GLU 89 -19.389 -1.371 -4.855 745 HA GLU 89 HA GLU 89 -21.382 -0.592 -2.997 746 HB2 GLU 89 2HB GLU 89 -21.034 -2.931 -3.597 747 HB3 GLU 89 3HB GLU 89 -19.418 -2.889 -2.906 748 HG2 GLU 89 2HG GLU 89 -20.376 -2.483 -0.694 749 HG3 GLU 89 3HG GLU 89 -21.995 -2.542 -1.390 750 H SER 90 H SER 90 -17.856 -0.823 -2.806 751 HA SER 90 HA SER 90 -17.679 -0.170 -0.049 752 HB2 SER 90 2HB SER 90 -15.332 0.616 -1.559 753 HB3 SER 90 3HB SER 90 -15.511 -0.663 -0.357 754 HG SER 90 HG SER 90 -15.161 -1.852 -2.084 755 H ILE 91 H ILE 91 -17.463 1.736 -3.021 756 HA ILE 91 HA ILE 91 -16.791 4.186 -1.776 757 HB ILE 91 HB ILE 91 -18.182 3.721 -4.416 758 HG12 ILE 91 2HG1 ILE 91 -15.360 4.541 -4.377 759 HG13 ILE 91 3HG1 ILE 91 -15.651 2.945 -3.694 760 HG21 ILE 91 1HG2 ILE 91 -17.270 6.150 -3.016 761 HG22 ILE 91 2HG2 ILE 91 -16.858 6.040 -4.727 762 HG23 ILE 91 3HG2 ILE 91 -18.543 5.940 -4.218 763 HD11 ILE 91 3HD1 ILE 91 -16.714 2.230 -5.740 764 HD12 ILE 91 1HD1 ILE 91 -16.535 3.845 -6.425 765 HD13 ILE 91 2HD1 ILE 91 -15.106 2.869 -6.080 766 H TYR 92 H TYR 92 -19.877 2.731 -2.710 767 HA TYR 92 HA TYR 92 -21.482 4.965 -2.038 768 HB2 TYR 92 2HB TYR 92 -21.946 2.112 -2.694 769 HB3 TYR 92 3HB TYR 92 -23.217 2.919 -1.783 770 HD1 TYR 92 HD1 TYR 92 -21.023 3.662 -4.725 771 HD2 TYR 92 HD2 TYR 92 -24.922 3.828 -3.030 772 HE1 TYR 92 HE1 TYR 92 -21.881 4.647 -6.809 773 HE2 TYR 92 HE2 TYR 92 -25.791 4.812 -5.110 774 HH TYR 92 HH TYR 92 -25.330 5.368 -7.217 775 H PHE 93 H PHE 93 -20.384 2.144 -0.235 776 HA PHE 93 HA PHE 93 -21.988 2.566 2.057 777 HB2 PHE 93 2HB PHE 93 -20.762 0.436 1.427 778 HB3 PHE 93 3HB PHE 93 -19.292 1.208 2.010 779 HD1 PHE 93 HD2 PHE 93 -22.632 0.001 3.010 780 HD2 PHE 93 HD1 PHE 93 -18.806 1.335 4.314 781 HE1 PHE 93 HE2 PHE 93 -23.157 -0.741 5.296 782 HE2 PHE 93 HE1 PHE 93 -19.324 0.594 6.602 783 HZ PHE 93 HZ PHE 93 -21.502 -0.444 7.096 784 H ARG 94 H ARG 94 -18.585 3.364 1.379 785 HA ARG 94 HA ARG 94 -18.092 4.667 3.825 786 HB2 ARG 94 2HB ARG 94 -16.104 5.568 2.748 787 HB3 ARG 94 3HB ARG 94 -16.307 3.873 2.327 788 HG2 ARG 94 2HG ARG 94 -17.348 4.613 0.181 789 HG3 ARG 94 3HG ARG 94 -16.897 6.266 0.605 790 HD2 ARG 94 2HD ARG 94 -15.250 5.253 -0.886 791 HD3 ARG 94 3HD ARG 94 -14.549 5.611 0.692 792 HE ARG 94 HE ARG 94 -15.388 3.006 0.852 793 HH11 ARG 94 1HH1 ARG 94 -13.230 4.815 -1.193 794 HH12 ARG 94 2HH1 ARG 94 -12.190 3.466 -1.511 795 HH21 ARG 94 1HH2 ARG 94 -14.027 1.222 0.442 796 HH22 ARG 94 2HH2 ARG 94 -12.645 1.423 -0.581 797 H ILE 95 H ILE 95 -19.448 5.769 0.790 798 HA ILE 95 HA ILE 95 -19.357 8.556 1.511 799 HB ILE 95 HB ILE 95 -20.665 7.078 -0.764 800 HG12 ILE 95 2HG1 ILE 95 -18.450 9.137 -0.741 801 HG13 ILE 95 3HG1 ILE 95 -18.180 7.398 -0.758 802 HG21 ILE 95 1HG2 ILE 95 -20.810 10.001 -0.066 803 HG22 ILE 95 2HG2 ILE 95 -21.122 9.382 -1.686 804 HG23 ILE 95 3HG2 ILE 95 -22.143 8.879 -0.340 805 HD11 ILE 95 3HD1 ILE 95 -17.950 8.070 -2.978 806 HD12 ILE 95 1HD1 ILE 95 -19.568 7.376 -2.890 807 HD13 ILE 95 2HD1 ILE 95 -19.359 9.127 -2.898 808 H LEU 96 H LEU 96 -21.563 5.916 1.888 809 HA LEU 96 HA LEU 96 -23.780 7.682 2.575 810 HB2 LEU 96 2HB LEU 96 -24.177 5.675 1.198 811 HB3 LEU 96 3HB LEU 96 -23.636 4.670 2.540 812 HG LEU 96 HG LEU 96 -25.766 6.396 3.402 813 HD11 LEU 96 1HD1 LEU 96 -26.127 6.028 0.796 814 HD12 LEU 96 2HD1 LEU 96 -27.465 6.016 1.944 815 HD13 LEU 96 3HD1 LEU 96 -26.784 4.495 1.369 816 HD21 LEU 96 3HD2 LEU 96 -24.861 4.119 4.250 817 HD22 LEU 96 1HD2 LEU 96 -25.951 3.431 3.045 818 HD23 LEU 96 2HD2 LEU 96 -26.592 4.446 4.337 819 H LEU 97 H LEU 97 -21.140 6.412 4.106 820 HA LEU 97 HA LEU 97 -21.878 5.340 6.487 821 HB2 LEU 97 2HB LEU 97 -19.722 7.270 5.754 822 HB3 LEU 97 3HB LEU 97 -19.951 6.826 7.445 823 HG LEU 97 HG LEU 97 -19.455 4.823 5.249 824 HD11 LEU 97 1HD1 LEU 97 -17.541 6.308 7.019 825 HD12 LEU 97 2HD1 LEU 97 -17.490 6.096 5.270 826 HD13 LEU 97 3HD1 LEU 97 -17.149 4.731 6.333 827 HD21 LEU 97 3HD2 LEU 97 -20.559 3.966 7.264 828 HD22 LEU 97 1HD2 LEU 97 -19.253 4.620 8.252 829 HD23 LEU 97 2HD2 LEU 97 -18.922 3.331 7.094 830 HA PRO 98 HA PRO 98 -24.249 8.203 8.818 831 HB2 PRO 98 2HB PRO 98 -23.331 7.779 11.338 832 HB3 PRO 98 3HB PRO 98 -24.345 6.616 10.476 833 HG2 PRO 98 2HG PRO 98 -21.374 6.631 10.845 834 HG3 PRO 98 3HG PRO 98 -22.509 5.273 10.960 835 HD2 PRO 98 2HD PRO 98 -20.989 5.719 8.764 836 HD3 PRO 98 3HD PRO 98 -22.610 4.999 8.674 837 H TYR 99 H TYR 99 -20.770 8.261 9.513 838 HA TYR 99 HA TYR 99 -20.787 10.849 10.695 839 HB2 TYR 99 2HB TYR 99 -18.695 8.943 9.756 840 HB3 TYR 99 3HB TYR 99 -18.231 10.622 10.006 841 HD1 TYR 99 HD1 TYR 99 -20.562 8.410 11.908 842 HD2 TYR 99 HD2 TYR 99 -16.985 10.713 11.956 843 HE1 TYR 99 HE1 TYR 99 -20.325 7.980 14.318 844 HE2 TYR 99 HE2 TYR 99 -16.737 10.289 14.366 845 HH TYR 99 HH TYR 99 -18.233 9.701 16.294 846 H GLU 100 H GLU 100 -20.025 9.640 7.452 847 HA GLU 100 HA GLU 100 -19.231 12.121 6.365 848 HB2 GLU 100 2HB GLU 100 -19.352 9.491 5.477 849 HB3 GLU 100 3HB GLU 100 -20.488 10.340 4.438 850 HG2 GLU 100 2HG GLU 100 -17.792 11.514 4.883 851 HG3 GLU 100 3HG GLU 100 -17.961 10.136 3.797 852 H ARG 101 H ARG 101 -22.337 10.392 6.265 853 HA ARG 101 HA ARG 101 -23.713 12.368 4.788 854 HB2 ARG 101 2HB ARG 101 -25.667 11.134 5.213 855 HB3 ARG 101 3HB ARG 101 -24.384 9.932 5.190 856 HG2 ARG 101 2HG ARG 101 -25.445 9.249 7.064 857 HG3 ARG 101 3HG ARG 101 -24.391 10.459 7.799 858 HD2 ARG 101 2HD ARG 101 -26.270 11.330 8.643 859 HD3 ARG 101 3HD ARG 101 -26.552 11.950 7.017 860 HE ARG 101 HE ARG 101 -28.245 10.425 6.761 861 HH11 ARG 101 1HH1 ARG 101 -26.338 9.579 9.548 862 HH12 ARG 101 2HH1 ARG 101 -27.437 8.353 10.090 863 HH21 ARG 101 1HH2 ARG 101 -29.699 8.814 7.464 864 HH22 ARG 101 2HH2 ARG 101 -29.348 7.919 8.904 865 H HIS 102 H HIS 102 -23.049 11.962 8.191 866 HA HIS 102 HA HIS 102 -24.972 13.811 9.159 867 HB2 HIS 102 2HB HIS 102 -22.596 12.413 10.266 868 HB3 HIS 102 3HB HIS 102 -23.123 13.871 11.102 869 HD1 HIS 102 HD1 HIS 102 -23.308 10.882 12.201 870 HD2 HIS 102 HD2 HIS 102 -26.416 13.130 10.605 871 HE1 HIS 102 HE1 HIS 102 -25.414 9.886 13.149 872 H MET 103 H MET 103 -21.499 14.103 8.449 873 HA MET 103 HA MET 103 -21.196 16.780 9.186 874 HB2 MET 103 2HB MET 103 -19.689 14.814 7.621 875 HB3 MET 103 3HB MET 103 -19.423 16.474 7.105 876 HG2 MET 103 2HG MET 103 -17.778 16.213 8.674 877 HG3 MET 103 3HG MET 103 -19.071 16.922 9.639 878 HE1 MET 103 3HE MET 103 -18.055 14.712 12.482 879 HE2 MET 103 1HE MET 103 -17.566 16.168 11.615 880 HE3 MET 103 2HE MET 103 -19.248 15.954 12.101 881 H ILE 104 H ILE 104 -22.064 15.347 6.060 882 HA ILE 104 HA ILE 104 -22.276 17.887 4.744 883 HB ILE 104 HB ILE 104 -23.165 16.653 2.852 884 HG12 ILE 104 2HG1 ILE 104 -23.200 14.277 4.727 885 HG13 ILE 104 3HG1 ILE 104 -24.612 15.094 4.066 886 HG21 ILE 104 1HG2 ILE 104 -20.893 15.153 4.149 887 HG22 ILE 104 2HG2 ILE 104 -21.280 15.179 2.430 888 HG23 ILE 104 3HG2 ILE 104 -20.741 16.653 3.234 889 HD11 ILE 104 3HD1 ILE 104 -24.407 13.221 2.734 890 HD12 ILE 104 1HD1 ILE 104 -23.616 14.472 1.775 891 HD13 ILE 104 2HD1 ILE 104 -22.647 13.318 2.691 892 H SER 105 H SER 105 -24.366 15.909 6.639 893 HA SER 105 HA SER 105 -26.868 16.724 5.662 894 HB2 SER 105 2HB SER 105 -27.283 15.042 7.115 895 HB3 SER 105 3HB SER 105 -25.842 15.391 8.071 896 HG SER 105 HG SER 105 -28.268 15.863 8.787 897 H GLN 106 H GLN 106 -24.597 18.255 7.829 898 HA GLN 106 HA GLN 106 -26.225 20.134 9.064 899 HB2 GLN 106 2HB GLN 106 -23.333 20.031 8.343 900 HB3 GLN 106 3HB GLN 106 -24.001 21.566 8.883 901 HG2 GLN 106 2HG GLN 106 -24.559 20.707 10.992 902 HG3 GLN 106 3HG GLN 106 -24.360 19.040 10.456 903 HE21 GLN 106 1HE2 GLN 106 -22.854 21.782 11.794 904 HE22 GLN 106 2HE2 GLN 106 -21.256 21.137 11.917 905 H GLU 107 H GLU 107 -24.762 20.168 5.862 906 HA GLU 107 HA GLU 107 -26.169 22.695 5.301 907 HB2 GLU 107 2HB GLU 107 -23.510 22.197 4.992 908 HB3 GLU 107 3HB GLU 107 -24.113 21.792 3.392 909 HG2 GLU 107 2HG GLU 107 -24.893 23.953 3.005 910 HG3 GLU 107 3HG GLU 107 -24.843 24.375 4.715 911 H GLY 108 H GLY 108 -27.119 19.827 5.182 912 HA2 GLY 108 2HA GLY 108 -28.684 20.075 2.832 913 HA3 GLY 108 3HA GLY 108 -27.384 18.924 2.563 914 H ILE 109 H ILE 109 -29.518 19.611 5.334 915 HA ILE 109 HA ILE 109 -29.715 16.978 6.212 916 HB ILE 109 HB ILE 109 -31.870 17.732 7.311 917 HG12 ILE 109 2HG1 ILE 109 -31.261 20.547 6.749 918 HG13 ILE 109 3HG1 ILE 109 -31.854 19.659 5.350 919 HG21 ILE 109 1HG2 ILE 109 -29.683 19.691 7.871 920 HG22 ILE 109 2HG2 ILE 109 -30.728 18.827 8.997 921 HG23 ILE 109 3HG2 ILE 109 -29.432 17.971 8.164 922 HD11 ILE 109 3HD1 ILE 109 -33.906 19.249 6.320 923 HD12 ILE 109 1HD1 ILE 109 -33.297 19.492 7.957 924 HD13 ILE 109 2HD1 ILE 109 -33.528 20.876 6.888 925 H LYS 110 H LYS 110 -31.296 18.575 3.590 926 HA LYS 110 HA LYS 110 -33.600 17.033 3.300 927 HB2 LYS 110 2HB LYS 110 -31.867 18.271 1.154 928 HB3 LYS 110 3HB LYS 110 -33.501 17.671 0.907 929 HG2 LYS 110 2HG LYS 110 -32.684 19.959 2.685 930 HG3 LYS 110 3HG LYS 110 -33.522 20.071 1.136 931 HD2 LYS 110 2HD LYS 110 -35.416 18.827 2.089 932 HD3 LYS 110 3HD LYS 110 -34.578 18.756 3.641 933 HE2 LYS 110 2HE LYS 110 -34.783 21.060 3.985 934 HE3 LYS 110 3HE LYS 110 -35.133 21.374 2.286 935 HZ1 LYS 110 3HZ LYS 110 -37.299 20.791 2.527 936 HZ2 LYS 110 1HZ LYS 110 -37.016 21.333 4.105 937 HZ3 LYS 110 2HZ LYS 110 -36.998 19.677 3.763 938 H GLU 111 H GLU 111 -30.279 16.274 2.650 939 HA GLU 111 HA GLU 111 -30.802 14.037 0.939 940 HB2 GLU 111 2HB GLU 111 -28.402 15.187 2.285 941 HB3 GLU 111 3HB GLU 111 -28.323 13.519 1.736 942 HG2 GLU 111 2HG GLU 111 -29.381 15.402 -0.242 943 HG3 GLU 111 3HG GLU 111 -27.706 15.685 0.228 944 H THR 112 H THR 112 -30.650 14.559 4.354 945 HA THR 112 HA THR 112 -30.129 11.897 5.171 946 HB THR 112 HB THR 112 -31.731 13.891 6.765 947 HG1 THR 112 HG1 THR 112 -28.931 13.784 6.284 948 HG21 THR 112 3HG2 THR 112 -29.925 12.609 8.407 949 HG22 THR 112 1HG2 THR 112 -30.414 11.342 7.284 950 HG23 THR 112 2HG2 THR 112 -31.630 12.198 8.231 951 H GLN 113 H GLN 113 -33.162 13.734 4.846 952 HA GLN 113 HA GLN 113 -34.888 11.672 5.635 953 HB2 GLN 113 2HB GLN 113 -35.123 14.318 4.592 954 HB3 GLN 113 3HB GLN 113 -36.195 13.267 3.677 955 HG2 GLN 113 2HG GLN 113 -37.507 14.058 5.428 956 HG3 GLN 113 3HG GLN 113 -37.033 12.436 5.933 957 HE21 GLN 113 1HE2 GLN 113 -36.135 15.839 6.247 958 HE22 GLN 113 2HE2 GLN 113 -35.528 15.714 7.860 959 H ALA 114 H ALA 114 -33.151 12.181 2.710 960 HA ALA 114 HA ALA 114 -34.801 10.687 0.953 961 HB1 ALA 114 1HB ALA 114 -32.573 12.253 0.661 962 HB2 ALA 114 2HB ALA 114 -31.948 10.636 0.336 963 HB3 ALA 114 3HB ALA 114 -33.303 11.264 -0.603 964 H LYS 115 H LYS 115 -32.397 9.817 3.308 965 HA LYS 115 HA LYS 115 -31.537 7.823 3.997 966 HB2 LYS 115 2HB LYS 115 -34.279 7.592 3.897 967 HB3 LYS 115 3HB LYS 115 -33.747 6.186 2.985 968 HG2 LYS 115 2HG LYS 115 -32.105 6.111 5.170 969 HG3 LYS 115 3HG LYS 115 -33.614 6.729 5.847 970 HD2 LYS 115 2HD LYS 115 -33.891 4.461 3.987 971 HD3 LYS 115 3HD LYS 115 -33.066 4.102 5.506 972 HE2 LYS 115 2HE LYS 115 -35.640 5.625 5.516 973 HE3 LYS 115 3HE LYS 115 -35.653 3.870 5.351 974 HZ1 LYS 115 3HZ LYS 115 -33.927 4.537 7.447 975 HZ2 LYS 115 1HZ LYS 115 -35.397 3.705 7.528 976 HZ3 LYS 115 2HZ LYS 115 -35.369 5.388 7.684 977 H ARG 116 H ARG 116 -31.604 5.261 3.111 978 HA ARG 116 HA ARG 116 -29.895 5.375 0.829 979 HB2 ARG 116 2HB ARG 116 -29.714 2.964 1.078 980 HB3 ARG 116 3HB ARG 116 -29.574 3.743 2.648 981 HG2 ARG 116 2HG ARG 116 -31.307 2.616 3.449 982 HG3 ARG 116 3HG ARG 116 -32.315 3.058 2.070 983 HD2 ARG 116 2HD ARG 116 -32.097 0.647 2.213 984 HD3 ARG 116 3HD ARG 116 -31.293 1.248 0.763 985 HE ARG 116 HE ARG 116 -29.279 0.550 1.620 986 HH11 ARG 116 1HH1 ARG 116 -31.706 0.455 4.114 987 HH12 ARG 116 2HH1 ARG 116 -30.701 -0.394 5.241 988 HH21 ARG 116 1HH2 ARG 116 -27.947 -0.569 3.095 989 HH22 ARG 116 2HH2 ARG 116 -28.563 -0.975 4.660 Start of MODEL 18 1 H1 GLN 1 H GLN 1 1.325 0.430 -0.248 2 HA GLN 1 HA GLN 1 1.517 3.153 0.615 3 HB2 GLN 1 2HB GLN 1 4.015 1.529 0.196 4 HB3 GLN 1 3HB GLN 1 4.003 3.273 -0.029 5 HG2 GLN 1 2HG GLN 1 2.783 2.747 2.459 6 HG3 GLN 1 3HG GLN 1 4.251 1.775 2.377 7 HE21 GLN 1 1HE2 GLN 1 5.998 2.736 3.099 8 HE22 GLN 1 2HE2 GLN 1 6.299 4.437 3.114 9 H SER 2 H SER 2 0.468 3.969 -1.088 10 HA SER 2 HA SER 2 1.703 3.733 -3.709 11 HB2 SER 2 2HB SER 2 -0.681 3.340 -4.676 12 HB3 SER 2 3HB SER 2 0.209 1.962 -4.028 13 HG SER 2 HG SER 2 -2.015 3.304 -2.992 14 H LEU 3 H LEU 3 2.104 5.846 -3.987 15 HA LEU 3 HA LEU 3 0.643 7.990 -3.000 16 HB2 LEU 3 2HB LEU 3 2.332 7.853 -5.493 17 HB3 LEU 3 3HB LEU 3 1.786 9.340 -4.721 18 HG LEU 3 HG LEU 3 3.326 7.481 -3.017 19 HD11 LEU 3 1HD1 LEU 3 5.465 8.408 -3.961 20 HD12 LEU 3 2HD1 LEU 3 4.532 8.926 -5.364 21 HD13 LEU 3 3HD1 LEU 3 4.646 7.212 -4.966 22 HD21 LEU 3 3HD2 LEU 3 3.840 9.370 -1.885 23 HD22 LEU 3 1HD2 LEU 3 2.401 9.978 -2.704 24 HD23 LEU 3 2HD2 LEU 3 4.002 10.338 -3.351 25 H ASN 4 H ASN 4 -0.289 9.720 -4.627 26 HA ASN 4 HA ASN 4 -2.749 8.735 -5.542 27 HB2 ASN 4 2HB ASN 4 -2.843 11.018 -6.743 28 HB3 ASN 4 3HB ASN 4 -2.725 11.014 -4.985 29 HD21 ASN 4 1HD2 ASN 4 -1.219 12.239 -4.113 30 HD22 ASN 4 2HD2 ASN 4 0.167 12.875 -4.925 31 HA PRO 5 HA PRO 5 -2.026 7.279 -9.617 32 HB2 PRO 5 2HB PRO 5 -4.273 8.091 -10.907 33 HB3 PRO 5 3HB PRO 5 -4.266 6.779 -9.722 34 HG2 PRO 5 2HG PRO 5 -5.055 9.646 -9.370 35 HG3 PRO 5 3HG PRO 5 -5.854 8.183 -8.764 36 HD2 PRO 5 2HD PRO 5 -4.263 9.726 -7.208 37 HD3 PRO 5 3HD PRO 5 -4.394 7.968 -6.993 38 H ALA 6 H ALA 6 -2.849 10.674 -9.239 39 HA ALA 6 HA ALA 6 -2.334 12.539 -10.445 40 HB1 ALA 6 1HB ALA 6 -0.111 12.060 -9.728 41 HB2 ALA 6 2HB ALA 6 0.096 10.845 -10.990 42 HB3 ALA 6 3HB ALA 6 -0.030 12.551 -11.420 43 H LEU 7 H LEU 7 -3.894 10.424 -11.789 44 HA LEU 7 HA LEU 7 -3.124 10.877 -14.588 45 HB2 LEU 7 2HB LEU 7 -3.783 8.555 -13.323 46 HB3 LEU 7 3HB LEU 7 -5.327 9.023 -14.033 47 HG LEU 7 HG LEU 7 -4.181 9.143 -16.252 48 HD11 LEU 7 1HD1 LEU 7 -2.019 7.923 -16.432 49 HD12 LEU 7 2HD1 LEU 7 -1.910 7.950 -14.673 50 HD13 LEU 7 3HD1 LEU 7 -1.907 9.462 -15.579 51 HD21 LEU 7 3HD2 LEU 7 -3.783 6.398 -15.153 52 HD22 LEU 7 1HD2 LEU 7 -4.510 6.908 -16.676 53 HD23 LEU 7 2HD2 LEU 7 -5.401 7.101 -15.166 54 H GLN 8 H GLN 8 -5.644 11.386 -12.233 55 HA GLN 8 HA GLN 8 -6.889 13.345 -13.946 56 HB2 GLN 8 2HB GLN 8 -8.234 10.754 -13.254 57 HB3 GLN 8 3HB GLN 8 -9.188 12.215 -13.478 58 HG2 GLN 8 2HG GLN 8 -9.266 11.522 -15.607 59 HG3 GLN 8 3HG GLN 8 -7.685 12.296 -15.704 60 HE21 GLN 8 1HE2 GLN 8 -6.986 10.950 -17.346 61 HE22 GLN 8 2HE2 GLN 8 -6.594 9.288 -17.082 62 H GLU 9 H GLU 9 -5.633 14.021 -11.761 63 HA GLU 9 HA GLU 9 -7.752 14.449 -9.760 64 HB2 GLU 9 2HB GLU 9 -5.807 14.626 -8.101 65 HB3 GLU 9 3HB GLU 9 -6.251 13.020 -8.661 66 HG2 GLU 9 2HG GLU 9 -4.261 12.675 -9.592 67 HG3 GLU 9 3HG GLU 9 -4.229 14.276 -10.329 68 H LYS 10 H LYS 10 -7.944 16.305 -11.437 69 HA LYS 10 HA LYS 10 -6.014 18.423 -11.201 70 HB2 LYS 10 2HB LYS 10 -8.636 18.069 -12.596 71 HB3 LYS 10 3HB LYS 10 -8.002 19.695 -12.373 72 HG2 LYS 10 2HG LYS 10 -6.192 19.324 -13.755 73 HG3 LYS 10 3HG LYS 10 -6.269 17.572 -13.558 74 HD2 LYS 10 2HD LYS 10 -7.037 18.039 -15.753 75 HD3 LYS 10 3HD LYS 10 -8.467 17.647 -14.795 76 HE2 LYS 10 2HE LYS 10 -9.011 19.546 -16.114 77 HE3 LYS 10 3HE LYS 10 -8.792 20.115 -14.459 78 HZ1 LYS 10 3HZ LYS 10 -7.717 21.574 -16.064 79 HZ2 LYS 10 1HZ LYS 10 -6.763 20.293 -16.622 80 HZ3 LYS 10 2HZ LYS 10 -6.575 20.861 -15.040 81 H ILE 11 H ILE 11 -6.376 18.129 -8.711 82 HA ILE 11 HA ILE 11 -8.588 19.080 -7.369 83 HB ILE 11 HB ILE 11 -6.718 18.080 -6.189 84 HG12 ILE 11 2HG1 ILE 11 -6.559 19.661 -4.299 85 HG13 ILE 11 3HG1 ILE 11 -7.196 20.942 -5.325 86 HG21 ILE 11 1HG2 ILE 11 -5.168 19.827 -7.709 87 HG22 ILE 11 2HG2 ILE 11 -4.972 20.369 -6.043 88 HG23 ILE 11 3HG2 ILE 11 -4.603 18.700 -6.476 89 HD11 ILE 11 3HD1 ILE 11 -8.638 18.446 -4.468 90 HD12 ILE 11 1HD1 ILE 11 -8.933 20.089 -3.901 91 HD13 ILE 11 2HD1 ILE 11 -9.281 19.658 -5.576 92 H SER 12 H SER 12 -9.473 21.023 -6.967 93 HA SER 12 HA SER 12 -9.872 23.264 -7.034 94 HB2 SER 12 2HB SER 12 -6.917 23.683 -7.483 95 HB3 SER 12 3HB SER 12 -8.071 24.789 -6.738 96 HG SER 12 HG SER 12 -6.600 22.860 -5.589 97 H THR 13 H THR 13 -10.842 24.203 -8.694 98 HA THR 13 HA THR 13 -9.756 23.828 -11.383 99 HB THR 13 HB THR 13 -12.131 25.111 -11.768 100 HG1 THR 13 HG1 THR 13 -13.566 23.955 -10.259 101 HG21 THR 13 3HG2 THR 13 -11.831 22.136 -11.355 102 HG22 THR 13 1HG2 THR 13 -11.322 22.999 -12.806 103 HG23 THR 13 2HG2 THR 13 -13.028 22.952 -12.361 104 H GLU 14 H GLU 14 -11.611 26.512 -9.965 105 HA GLU 14 HA GLU 14 -9.802 28.377 -11.326 106 HB2 GLU 14 2HB GLU 14 -12.581 28.759 -10.204 107 HB3 GLU 14 3HB GLU 14 -11.614 30.051 -10.903 108 HG2 GLU 14 2HG GLU 14 -11.512 28.644 -13.006 109 HG3 GLU 14 3HG GLU 14 -12.766 27.645 -12.275 110 H LEU 15 H LEU 15 -9.821 26.955 -8.484 111 HA LEU 15 HA LEU 15 -8.667 27.443 -6.563 112 HB2 LEU 15 2HB LEU 15 -7.726 29.353 -8.212 113 HB3 LEU 15 3HB LEU 15 -8.563 30.356 -7.030 114 HG LEU 15 HG LEU 15 -6.971 28.473 -5.615 115 HD11 LEU 15 1HD1 LEU 15 -5.373 28.086 -7.171 116 HD12 LEU 15 2HD1 LEU 15 -4.771 29.634 -6.580 117 HD13 LEU 15 3HD1 LEU 15 -5.722 29.568 -8.063 118 HD21 LEU 15 3HD2 LEU 15 -6.725 31.449 -6.041 119 HD22 LEU 15 1HD2 LEU 15 -5.881 30.526 -4.797 120 HD23 LEU 15 2HD2 LEU 15 -7.641 30.639 -4.770 121 H ASN 16 H ASN 16 -11.545 28.812 -7.601 122 HA ASN 16 HA ASN 16 -12.196 29.973 -4.998 123 HB2 ASN 16 2HB ASN 16 -13.101 30.384 -7.730 124 HB3 ASN 16 3HB ASN 16 -14.453 30.165 -6.623 125 HD21 ASN 16 1HD2 ASN 16 -14.881 31.701 -5.092 126 HD22 ASN 16 2HD2 ASN 16 -14.094 33.239 -5.051 127 H ASN 17 H ASN 17 -13.339 27.470 -7.237 128 HA ASN 17 HA ASN 17 -15.359 26.524 -5.434 129 HB2 ASN 17 2HB ASN 17 -14.237 25.018 -7.795 130 HB3 ASN 17 3HB ASN 17 -15.839 24.873 -7.078 131 HD21 ASN 17 1HD2 ASN 17 -15.137 25.395 -9.826 132 HD22 ASN 17 2HD2 ASN 17 -15.848 26.915 -10.238 133 H LYS 18 H LYS 18 -12.003 25.980 -5.846 134 HA LYS 18 HA LYS 18 -11.637 23.373 -5.018 135 HB2 LYS 18 2HB LYS 18 -9.426 24.021 -4.321 136 HB3 LYS 18 3HB LYS 18 -9.840 24.927 -5.770 137 HG2 LYS 18 2HG LYS 18 -9.032 26.653 -4.581 138 HG3 LYS 18 3HG LYS 18 -10.659 26.668 -3.897 139 HD2 LYS 18 2HD LYS 18 -9.956 25.494 -1.965 140 HD3 LYS 18 3HD LYS 18 -8.404 25.077 -2.694 141 HE2 LYS 18 2HE LYS 18 -8.215 26.884 -1.028 142 HE3 LYS 18 3HE LYS 18 -7.715 27.394 -2.640 143 HZ1 LYS 18 3HZ LYS 18 -9.776 28.528 -2.941 144 HZ2 LYS 18 1HZ LYS 18 -9.129 29.025 -1.459 145 HZ3 LYS 18 2HZ LYS 18 -10.404 27.913 -1.495 146 H GLN 19 H GLN 19 -12.388 26.219 -3.101 147 HA GLN 19 HA GLN 19 -11.883 25.163 -0.554 148 HB2 GLN 19 2HB GLN 19 -12.671 27.583 -1.485 149 HB3 GLN 19 3HB GLN 19 -14.184 27.000 -0.805 150 HG2 GLN 19 2HG GLN 19 -12.445 26.415 1.194 151 HG3 GLN 19 3HG GLN 19 -11.732 27.882 0.526 152 HE21 GLN 19 1HE2 GLN 19 -12.335 29.595 1.620 153 HE22 GLN 19 2HE2 GLN 19 -13.904 29.889 2.280 154 H TYR 20 H TYR 20 -14.844 25.172 -2.510 155 HA TYR 20 HA TYR 20 -16.421 23.813 -0.572 156 HB2 TYR 20 2HB TYR 20 -16.749 24.418 -3.496 157 HB3 TYR 20 3HB TYR 20 -17.888 23.361 -2.669 158 HD1 TYR 20 HD2 TYR 20 -16.402 26.768 -2.538 159 HD2 TYR 20 HD1 TYR 20 -19.664 24.265 -1.443 160 HE1 TYR 20 HE2 TYR 20 -17.638 28.738 -1.737 161 HE2 TYR 20 HE1 TYR 20 -20.909 26.228 -0.640 162 HH TYR 20 HH TYR 20 -20.931 28.440 -0.442 163 H GLU 21 H GLU 21 -14.551 22.776 -3.383 164 HA GLU 21 HA GLU 21 -15.381 20.084 -3.390 165 HB2 GLU 21 2HB GLU 21 -12.731 21.206 -4.314 166 HB3 GLU 21 3HB GLU 21 -13.432 19.664 -4.787 167 HG2 GLU 21 2HG GLU 21 -15.039 20.653 -6.124 168 HG3 GLU 21 3HG GLU 21 -14.907 22.208 -5.305 169 H LEU 22 H LEU 22 -12.597 21.686 -1.881 170 HA LEU 22 HA LEU 22 -11.473 19.342 -0.772 171 HB2 LEU 22 2HB LEU 22 -10.471 21.715 -1.103 172 HB3 LEU 22 3HB LEU 22 -11.168 22.041 0.482 173 HG LEU 22 HG LEU 22 -9.294 19.737 0.047 174 HD11 LEU 22 1HD1 LEU 22 -8.680 22.618 0.123 175 HD12 LEU 22 2HD1 LEU 22 -7.763 21.276 -0.559 176 HD13 LEU 22 3HD1 LEU 22 -7.706 21.590 1.175 177 HD21 LEU 22 3HD2 LEU 22 -8.999 20.945 2.559 178 HD22 LEU 22 1HD2 LEU 22 -9.763 19.399 2.189 179 HD23 LEU 22 2HD2 LEU 22 -10.736 20.869 2.257 180 H PHE 23 H PHE 23 -13.931 21.576 0.331 181 HA PHE 23 HA PHE 23 -14.018 20.903 3.037 182 HB2 PHE 23 2HB PHE 23 -15.693 22.316 1.152 183 HB3 PHE 23 3HB PHE 23 -16.675 21.361 2.258 184 HD1 PHE 23 HD2 PHE 23 -13.613 23.487 2.507 185 HD2 PHE 23 HD1 PHE 23 -17.455 22.522 4.064 186 HE1 PHE 23 HE2 PHE 23 -13.345 25.220 4.233 187 HE2 PHE 23 HE1 PHE 23 -17.194 24.255 5.791 188 HZ PHE 23 HZ PHE 23 -15.136 25.606 5.878 189 H MET 24 H MET 24 -15.847 19.517 0.316 190 HA MET 24 HA MET 24 -17.045 17.491 1.958 191 HB2 MET 24 2HB MET 24 -17.374 18.501 -0.705 192 HB3 MET 24 3HB MET 24 -17.205 16.752 -0.771 193 HG2 MET 24 2HG MET 24 -19.506 17.174 -0.591 194 HG3 MET 24 3HG MET 24 -18.988 16.632 1.004 195 HE1 MET 24 3HE MET 24 -21.185 17.757 2.336 196 HE2 MET 24 1HE MET 24 -19.555 17.623 2.995 197 HE3 MET 24 2HE MET 24 -20.474 19.112 3.214 198 H LYS 25 H LYS 25 -14.287 17.706 -0.200 199 HA LYS 25 HA LYS 25 -13.748 14.950 -0.430 200 HB2 LYS 25 2HB LYS 25 -12.702 16.461 -1.959 201 HB3 LYS 25 3HB LYS 25 -11.972 17.380 -0.649 202 HG2 LYS 25 2HG LYS 25 -10.594 15.409 -0.083 203 HG3 LYS 25 3HG LYS 25 -11.276 14.570 -1.479 204 HD2 LYS 25 2HD LYS 25 -9.483 15.408 -2.553 205 HD3 LYS 25 3HD LYS 25 -10.449 16.884 -2.625 206 HE2 LYS 25 2HE LYS 25 -9.394 17.630 -0.517 207 HE3 LYS 25 3HE LYS 25 -8.381 16.187 -0.542 208 HZ1 LYS 25 3HZ LYS 25 -8.257 18.574 -2.232 209 HZ2 LYS 25 1HZ LYS 25 -7.806 17.095 -2.918 210 HZ3 LYS 25 2HZ LYS 25 -7.002 17.671 -1.546 211 H SER 26 H SER 26 -12.757 17.375 1.934 212 HA SER 26 HA SER 26 -10.941 15.680 3.325 213 HB2 SER 26 2HB SER 26 -10.622 18.016 3.605 214 HB3 SER 26 3HB SER 26 -12.311 18.271 4.045 215 HG SER 26 HG SER 26 -10.295 16.979 5.562 216 H LEU 27 H LEU 27 -14.369 16.360 3.594 217 HA LEU 27 HA LEU 27 -14.727 15.070 6.114 218 HB2 LEU 27 2HB LEU 27 -16.620 15.908 3.936 219 HB3 LEU 27 3HB LEU 27 -17.167 15.088 5.398 220 HG LEU 27 HG LEU 27 -15.789 17.771 5.284 221 HD11 LEU 27 1HD1 LEU 27 -18.171 18.287 6.350 222 HD12 LEU 27 2HD1 LEU 27 -18.623 16.913 5.341 223 HD13 LEU 27 3HD1 LEU 27 -17.880 18.336 4.611 224 HD21 LEU 27 3HD2 LEU 27 -15.375 17.534 7.449 225 HD22 LEU 27 1HD2 LEU 27 -16.023 15.894 7.399 226 HD23 LEU 27 2HD2 LEU 27 -17.090 17.253 7.755 227 H ILE 28 H ILE 28 -15.412 14.110 2.756 228 HA ILE 28 HA ILE 28 -16.376 11.539 3.342 229 HB ILE 28 HB ILE 28 -16.785 12.463 1.172 230 HG12 ILE 28 2HG1 ILE 28 -16.069 10.619 -0.273 231 HG13 ILE 28 3HG1 ILE 28 -14.845 10.155 0.903 232 HG21 ILE 28 1HG2 ILE 28 -14.350 13.574 1.299 233 HG22 ILE 28 2HG2 ILE 28 -13.998 12.223 0.222 234 HG23 ILE 28 3HG2 ILE 28 -15.249 13.390 -0.207 235 HD11 ILE 28 3HD1 ILE 28 -16.589 9.613 2.511 236 HD12 ILE 28 1HD1 ILE 28 -17.820 10.091 1.343 237 HD13 ILE 28 2HD1 ILE 28 -16.786 8.701 1.015 238 H GLU 29 H GLU 29 -13.116 12.655 2.472 239 HA GLU 29 HA GLU 29 -11.906 10.104 2.522 240 HB2 GLU 29 2HB GLU 29 -9.827 11.239 2.391 241 HB3 GLU 29 3HB GLU 29 -10.972 12.208 1.474 242 HG2 GLU 29 2HG GLU 29 -9.898 13.832 2.657 243 HG3 GLU 29 3HG GLU 29 -11.245 13.485 3.739 244 H ASN 30 H ASN 30 -12.564 12.483 5.004 245 HA ASN 30 HA ASN 30 -10.896 11.345 7.005 246 HB2 ASN 30 2HB ASN 30 -13.073 13.380 6.936 247 HB3 ASN 30 3HB ASN 30 -12.668 12.666 8.495 248 HD21 ASN 30 1HD2 ASN 30 -12.339 15.380 7.798 249 HD22 ASN 30 2HD2 ASN 30 -10.651 15.741 7.855 250 H CYS 31 H CYS 31 -14.418 11.210 6.474 251 HA CYS 31 HA CYS 31 -14.910 9.357 8.555 252 HB2 CYS 31 2HB CYS 31 -16.588 9.864 6.090 253 HB3 CYS 31 3HB CYS 31 -17.133 9.140 7.598 254 HG CYS 31 HG CYS 31 -16.798 12.356 6.780 255 H LYS 32 H LYS 32 -14.559 8.964 5.042 256 HA LYS 32 HA LYS 32 -14.996 6.195 4.955 257 HB2 LYS 32 2HB LYS 32 -15.027 7.605 2.955 258 HB3 LYS 32 3HB LYS 32 -13.307 7.922 3.136 259 HG2 LYS 32 2HG LYS 32 -13.620 5.122 3.103 260 HG3 LYS 32 3HG LYS 32 -14.609 5.771 1.792 261 HD2 LYS 32 2HD LYS 32 -11.755 6.616 2.229 262 HD3 LYS 32 3HD LYS 32 -12.185 5.217 1.243 263 HE2 LYS 32 2HE LYS 32 -13.166 8.035 0.800 264 HE3 LYS 32 3HE LYS 32 -11.862 7.259 -0.098 265 HZ1 LYS 32 3HZ LYS 32 -14.566 7.181 -0.667 266 HZ2 LYS 32 1HZ LYS 32 -14.174 5.629 -0.121 267 HZ3 LYS 32 2HZ LYS 32 -13.335 6.303 -1.426 268 H LYS 33 H LYS 33 -12.180 8.078 5.775 269 HA LYS 33 HA LYS 33 -10.189 6.137 5.471 270 HB2 LYS 33 2HB LYS 33 -10.480 8.701 6.846 271 HB3 LYS 33 3HB LYS 33 -9.383 7.601 7.669 272 HG2 LYS 33 2HG LYS 33 -8.862 7.612 4.842 273 HG3 LYS 33 3HG LYS 33 -8.821 9.252 5.492 274 HD2 LYS 33 2HD LYS 33 -7.453 7.219 7.123 275 HD3 LYS 33 3HD LYS 33 -6.726 7.533 5.545 276 HE2 LYS 33 2HE LYS 33 -6.301 9.761 6.046 277 HE3 LYS 33 3HE LYS 33 -7.503 9.803 7.335 278 HZ1 LYS 33 3HZ LYS 33 -5.090 9.763 8.031 279 HZ2 LYS 33 1HZ LYS 33 -5.055 8.151 7.520 280 HZ3 LYS 33 2HZ LYS 33 -6.097 8.620 8.766 281 H ARG 34 H ARG 34 -12.748 6.359 7.729 282 HA ARG 34 HA ARG 34 -11.505 4.796 9.797 283 HB2 ARG 34 2HB ARG 34 -14.427 5.441 9.362 284 HB3 ARG 34 3HB ARG 34 -13.720 4.786 10.833 285 HG2 ARG 34 2HG ARG 34 -12.763 7.393 9.730 286 HG3 ARG 34 3HG ARG 34 -14.241 7.310 10.690 287 HD2 ARG 34 2HD ARG 34 -11.617 6.172 11.623 288 HD3 ARG 34 3HD ARG 34 -12.108 7.834 11.949 289 HE ARG 34 HE ARG 34 -14.107 5.970 12.747 290 HH11 ARG 34 1HH1 ARG 34 -11.056 7.363 13.683 291 HH12 ARG 34 2HH1 ARG 34 -11.315 7.114 15.378 292 HH21 ARG 34 1HH2 ARG 34 -14.458 5.637 14.976 293 HH22 ARG 34 2HH2 ARG 34 -13.249 6.132 16.112 294 H ASN 35 H ASN 35 -12.546 4.024 6.779 295 HA ASN 35 HA ASN 35 -12.991 1.226 7.554 296 HB2 ASN 35 2HB ASN 35 -15.063 2.756 6.724 297 HB3 ASN 35 3HB ASN 35 -14.474 2.169 5.172 298 HD21 ASN 35 1HD2 ASN 35 -15.411 0.392 4.505 299 HD22 ASN 35 2HD2 ASN 35 -16.062 -0.860 5.503 300 H MET 36 H MET 36 -12.648 3.247 4.629 301 HA MET 36 HA MET 36 -10.603 1.345 3.687 302 HB2 MET 36 2HB MET 36 -12.703 1.298 2.360 303 HB3 MET 36 3HB MET 36 -12.477 3.001 1.988 304 HG2 MET 36 2HG MET 36 -10.113 1.493 1.343 305 HG3 MET 36 3HG MET 36 -11.533 0.811 0.553 306 HE1 MET 36 3HE MET 36 -9.112 2.939 -1.608 307 HE2 MET 36 1HE MET 36 -9.585 1.329 -1.067 308 HE3 MET 36 2HE MET 36 -10.479 2.120 -2.365 309 HA PRO 37 HA PRO 37 -8.546 5.445 4.243 310 HB2 PRO 37 2HB PRO 37 -6.235 4.399 5.209 311 HB3 PRO 37 3HB PRO 37 -7.631 4.754 6.234 312 HG2 PRO 37 2HG PRO 37 -6.750 2.139 5.072 313 HG3 PRO 37 3HG PRO 37 -7.347 2.494 6.704 314 HD2 PRO 37 2HD PRO 37 -8.913 1.399 4.785 315 HD3 PRO 37 3HD PRO 37 -9.553 2.486 6.034 316 H LEU 38 H LEU 38 -7.211 6.392 2.789 317 HA LEU 38 HA LEU 38 -6.013 4.650 0.745 318 HB2 LEU 38 2HB LEU 38 -7.607 6.989 0.587 319 HB3 LEU 38 3HB LEU 38 -6.008 7.388 -0.037 320 HG LEU 38 HG LEU 38 -7.852 5.223 -1.045 321 HD11 LEU 38 1HD1 LEU 38 -7.437 6.733 -3.162 322 HD12 LEU 38 2HD1 LEU 38 -7.147 7.970 -1.939 323 HD13 LEU 38 3HD1 LEU 38 -8.694 7.124 -1.988 324 HD21 LEU 38 3HD2 LEU 38 -5.122 6.006 -2.060 325 HD22 LEU 38 1HD2 LEU 38 -6.179 4.756 -2.716 326 HD23 LEU 38 2HD2 LEU 38 -5.470 4.558 -1.114 327 H GLN 39 H GLN 39 -4.333 6.604 -0.398 328 HA GLN 39 HA GLN 39 -2.042 6.327 1.262 329 HB2 GLN 39 2HB GLN 39 -2.102 6.404 -1.282 330 HB3 GLN 39 3HB GLN 39 -2.280 8.147 -1.129 331 HG2 GLN 39 2HG GLN 39 -0.044 6.913 0.350 332 HG3 GLN 39 3HG GLN 39 0.078 6.928 -1.408 333 HE21 GLN 39 1HE2 GLN 39 -0.936 9.238 -2.179 334 HE22 GLN 39 2HE2 GLN 39 -0.090 10.575 -1.485 335 H SER 40 H SER 40 -4.142 9.044 0.416 336 HA SER 40 HA SER 40 -3.788 10.386 2.841 337 HB2 SER 40 2HB SER 40 -1.742 10.938 0.805 338 HB3 SER 40 3HB SER 40 -2.527 12.382 1.444 339 HG SER 40 HG SER 40 -2.078 11.290 3.580 340 H ILE 41 H ILE 41 -3.774 11.655 -0.486 341 HA ILE 41 HA ILE 41 -6.364 12.926 0.083 342 HB ILE 41 HB ILE 41 -4.441 13.619 -2.137 343 HG12 ILE 41 2HG1 ILE 41 -4.472 15.708 -0.296 344 HG13 ILE 41 3HG1 ILE 41 -4.385 14.261 0.702 345 HG21 ILE 41 1HG2 ILE 41 -7.078 14.217 -1.934 346 HG22 ILE 41 2HG2 ILE 41 -6.351 15.604 -1.126 347 HG23 ILE 41 3HG2 ILE 41 -5.892 15.208 -2.782 348 HD11 ILE 41 3HD1 ILE 41 -2.498 13.626 -1.039 349 HD12 ILE 41 1HD1 ILE 41 -2.413 15.380 -1.200 350 HD13 ILE 41 2HD1 ILE 41 -2.173 14.626 0.376 351 HA PRO 42 HA PRO 42 -7.726 9.651 -2.758 352 HB2 PRO 42 2HB PRO 42 -10.318 9.756 -1.960 353 HB3 PRO 42 3HB PRO 42 -9.078 8.858 -1.078 354 HG2 PRO 42 2HG PRO 42 -10.203 11.576 -0.522 355 HG3 PRO 42 3HG PRO 42 -9.840 10.262 0.612 356 HD2 PRO 42 2HD PRO 42 -8.192 12.382 0.262 357 HD3 PRO 42 3HD PRO 42 -7.590 10.761 0.666 358 H GLU 43 H GLU 43 -7.782 10.416 -4.791 359 HA GLU 43 HA GLU 43 -10.004 12.168 -5.530 360 HB2 GLU 43 2HB GLU 43 -8.092 13.662 -5.229 361 HB3 GLU 43 3HB GLU 43 -7.128 12.671 -6.315 362 HG2 GLU 43 2HG GLU 43 -8.285 13.369 -8.192 363 HG3 GLU 43 3HG GLU 43 -9.687 13.888 -7.258 364 H ILE 44 H ILE 44 -10.827 11.807 -7.559 365 HA ILE 44 HA ILE 44 -9.430 10.129 -9.452 366 HB ILE 44 HB ILE 44 -10.375 8.399 -8.066 367 HG12 ILE 44 2HG1 ILE 44 -12.412 8.135 -10.110 368 HG13 ILE 44 3HG1 ILE 44 -10.902 8.721 -10.799 369 HG21 ILE 44 1HG2 ILE 44 -13.107 9.565 -8.540 370 HG22 ILE 44 2HG2 ILE 44 -12.658 8.248 -7.458 371 HG23 ILE 44 3HG2 ILE 44 -12.155 9.898 -7.093 372 HD11 ILE 44 3HD1 ILE 44 -10.967 6.339 -8.988 373 HD12 ILE 44 1HD1 ILE 44 -11.297 6.201 -10.715 374 HD13 ILE 44 2HD1 ILE 44 -9.737 6.810 -10.160 375 H GLY 45 H GLY 45 -9.785 11.047 -11.356 376 HA2 GLY 45 2HA GLY 45 -11.143 11.670 -13.179 377 HA3 GLY 45 3HA GLY 45 -12.499 11.856 -12.077 378 H ASN 46 H ASN 46 -12.532 13.747 -10.688 379 HA ASN 46 HA ASN 46 -10.745 15.883 -10.872 380 HB2 ASN 46 2HB ASN 46 -12.035 15.642 -13.261 381 HB3 ASN 46 3HB ASN 46 -13.102 16.758 -12.414 382 HD21 ASN 46 1HD2 ASN 46 -11.417 18.252 -10.944 383 HD22 ASN 46 2HD2 ASN 46 -10.337 19.133 -11.965 384 H ARG 47 H ARG 47 -12.189 14.667 -8.847 385 HA ARG 47 HA ARG 47 -13.396 15.172 -6.987 386 HB2 ARG 47 2HB ARG 47 -13.458 18.003 -8.040 387 HB3 ARG 47 3HB ARG 47 -13.682 17.484 -6.375 388 HG2 ARG 47 2HG ARG 47 -11.168 16.523 -7.341 389 HG3 ARG 47 3HG ARG 47 -11.301 18.256 -7.643 390 HD2 ARG 47 2HD ARG 47 -10.310 17.637 -5.424 391 HD3 ARG 47 3HD ARG 47 -11.707 18.709 -5.345 392 HE ARG 47 HE ARG 47 -12.817 17.089 -4.185 393 HH11 ARG 47 1HH1 ARG 47 -10.149 15.622 -5.873 394 HH12 ARG 47 2HH1 ARG 47 -10.378 14.064 -5.149 395 HH21 ARG 47 1HH2 ARG 47 -13.129 15.043 -3.226 396 HH22 ARG 47 2HH2 ARG 47 -12.074 13.736 -3.644 397 H LYS 48 H LYS 48 -15.324 14.205 -7.089 398 HA LYS 48 HA LYS 48 -17.557 15.712 -8.226 399 HB2 LYS 48 2HB LYS 48 -16.447 13.377 -9.427 400 HB3 LYS 48 3HB LYS 48 -18.026 12.955 -8.778 401 HG2 LYS 48 2HG LYS 48 -19.092 14.069 -10.381 402 HG3 LYS 48 3HG LYS 48 -18.055 15.486 -10.199 403 HD2 LYS 48 2HD LYS 48 -17.279 12.977 -11.684 404 HD3 LYS 48 3HD LYS 48 -17.924 14.433 -12.447 405 HE2 LYS 48 2HE LYS 48 -15.791 15.220 -10.758 406 HE3 LYS 48 3HE LYS 48 -15.237 13.839 -11.703 407 HZ1 LYS 48 3HZ LYS 48 -15.300 15.008 -13.608 408 HZ2 LYS 48 1HZ LYS 48 -15.173 16.348 -12.582 409 HZ3 LYS 48 2HZ LYS 48 -16.685 15.878 -13.177 410 H ILE 49 H ILE 49 -16.345 14.581 -5.565 411 HA ILE 49 HA ILE 49 -18.613 13.064 -4.562 412 HB ILE 49 HB ILE 49 -16.227 14.024 -2.988 413 HG12 ILE 49 2HG1 ILE 49 -15.718 11.402 -3.450 414 HG13 ILE 49 3HG1 ILE 49 -16.495 11.841 -4.967 415 HG21 ILE 49 1HG2 ILE 49 -18.526 12.248 -2.477 416 HG22 ILE 49 2HG2 ILE 49 -16.963 11.690 -1.881 417 HG23 ILE 49 3HG2 ILE 49 -17.596 13.253 -1.365 418 HD11 ILE 49 3HD1 ILE 49 -13.827 12.319 -4.117 419 HD12 ILE 49 1HD1 ILE 49 -14.579 12.675 -5.672 420 HD13 ILE 49 2HD1 ILE 49 -14.630 13.868 -4.373 421 H ASN 50 H ASN 50 -17.795 16.290 -4.910 422 HA ASN 50 HA ASN 50 -18.907 17.316 -2.481 423 HB2 ASN 50 2HB ASN 50 -17.245 18.595 -3.744 424 HB3 ASN 50 3HB ASN 50 -18.343 18.692 -5.117 425 HD21 ASN 50 1HD2 ASN 50 -18.969 19.081 -1.660 426 HD22 ASN 50 2HD2 ASN 50 -19.558 20.702 -1.771 427 H LEU 51 H LEU 51 -20.866 18.501 -2.257 428 HA LEU 51 HA LEU 51 -23.082 17.282 -3.579 429 HB2 LEU 51 2HB LEU 51 -22.631 18.956 -1.288 430 HB3 LEU 51 3HB LEU 51 -23.974 19.583 -2.243 431 HG LEU 51 HG LEU 51 -24.696 18.085 -0.422 432 HD11 LEU 51 1HD1 LEU 51 -25.651 18.228 -2.948 433 HD12 LEU 51 2HD1 LEU 51 -26.419 17.322 -1.645 434 HD13 LEU 51 3HD1 LEU 51 -25.372 16.493 -2.798 435 HD21 LEU 51 3HD2 LEU 51 -23.174 15.990 -1.970 436 HD22 LEU 51 1HD2 LEU 51 -24.269 15.674 -0.624 437 HD23 LEU 51 2HD2 LEU 51 -22.786 16.590 -0.357 438 H PHE 52 H PHE 52 -21.229 20.161 -4.067 439 HA PHE 52 HA PHE 52 -23.230 21.352 -5.813 440 HB2 PHE 52 2HB PHE 52 -21.704 22.654 -4.200 441 HB3 PHE 52 3HB PHE 52 -20.432 22.379 -5.385 442 HD1 PHE 52 HD2 PHE 52 -23.706 23.977 -4.826 443 HD2 PHE 52 HD1 PHE 52 -20.322 23.633 -7.385 444 HE1 PHE 52 HE2 PHE 52 -24.471 25.941 -6.096 445 HE2 PHE 52 HE1 PHE 52 -21.081 25.597 -8.658 446 HZ PHE 52 HZ PHE 52 -23.158 26.753 -8.015 447 H TYR 53 H TYR 53 -20.141 19.700 -6.000 448 HA TYR 53 HA TYR 53 -19.729 20.183 -8.783 449 HB2 TYR 53 2HB TYR 53 -18.027 19.480 -6.918 450 HB3 TYR 53 3HB TYR 53 -18.520 17.846 -7.349 451 HD1 TYR 53 HD2 TYR 53 -18.669 17.639 -10.115 452 HD2 TYR 53 HD1 TYR 53 -16.035 20.115 -7.871 453 HE1 TYR 53 HE2 TYR 53 -17.088 17.655 -11.999 454 HE2 TYR 53 HE1 TYR 53 -14.447 20.139 -9.750 455 HH TYR 53 HH TYR 53 -14.188 19.654 -11.947 456 H LEU 54 H LEU 54 -20.883 17.386 -6.918 457 HA LEU 54 HA LEU 54 -21.310 15.668 -9.090 458 HB2 LEU 54 2HB LEU 54 -21.282 15.031 -6.679 459 HB3 LEU 54 3HB LEU 54 -22.882 15.753 -6.521 460 HG LEU 54 HG LEU 54 -22.591 13.678 -8.604 461 HD11 LEU 54 1HD1 LEU 54 -23.131 12.181 -6.351 462 HD12 LEU 54 2HD1 LEU 54 -21.788 13.211 -5.855 463 HD13 LEU 54 3HD1 LEU 54 -21.628 12.176 -7.274 464 HD21 LEU 54 3HD2 LEU 54 -24.656 13.900 -6.440 465 HD22 LEU 54 1HD2 LEU 54 -24.805 13.193 -8.048 466 HD23 LEU 54 2HD2 LEU 54 -24.696 14.944 -7.862 467 H TYR 55 H TYR 55 -23.257 18.241 -7.747 468 HA TYR 55 HA TYR 55 -25.637 17.545 -9.190 469 HB2 TYR 55 2HB TYR 55 -25.425 18.922 -7.005 470 HB3 TYR 55 3HB TYR 55 -25.067 20.277 -8.070 471 HD1 TYR 55 HD1 TYR 55 -26.808 20.563 -10.066 472 HD2 TYR 55 HD2 TYR 55 -27.622 18.592 -6.385 473 HE1 TYR 55 HE1 TYR 55 -29.215 20.940 -10.404 474 HE2 TYR 55 HE2 TYR 55 -30.031 18.962 -6.713 475 HH TYR 55 HH TYR 55 -31.560 20.183 -7.912 476 H MET 56 H MET 56 -23.115 20.023 -9.547 477 HA MET 56 HA MET 56 -24.155 21.291 -11.810 478 HB2 MET 56 2HB MET 56 -22.323 22.215 -10.456 479 HB3 MET 56 3HB MET 56 -21.257 20.937 -11.023 480 HG2 MET 56 2HG MET 56 -21.069 21.836 -13.128 481 HG3 MET 56 3HG MET 56 -22.594 22.710 -13.006 482 HE1 MET 56 3HE MET 56 -19.428 22.118 -11.241 483 HE2 MET 56 1HE MET 56 -18.473 23.521 -11.723 484 HE3 MET 56 2HE MET 56 -19.317 23.519 -10.174 485 H LEU 57 H LEU 57 -22.125 18.431 -11.492 486 HA LEU 57 HA LEU 57 -21.480 18.133 -14.221 487 HB2 LEU 57 2HB LEU 57 -20.376 16.986 -12.285 488 HB3 LEU 57 3HB LEU 57 -21.785 15.932 -12.187 489 HG LEU 57 HG LEU 57 -21.099 15.558 -14.766 490 HD11 LEU 57 1HD1 LEU 57 -19.141 16.652 -15.073 491 HD12 LEU 57 2HD1 LEU 57 -18.489 15.160 -14.396 492 HD13 LEU 57 3HD1 LEU 57 -18.700 16.577 -13.366 493 HD21 LEU 57 3HD2 LEU 57 -20.744 14.163 -12.251 494 HD22 LEU 57 1HD2 LEU 57 -19.514 13.720 -13.434 495 HD23 LEU 57 2HD2 LEU 57 -21.223 13.541 -13.831 496 H VAL 58 H VAL 58 -24.057 16.680 -12.245 497 HA VAL 58 HA VAL 58 -25.229 15.125 -14.251 498 HB VAL 58 HB VAL 58 -26.612 16.443 -11.911 499 HG11 VAL 58 1HG1 VAL 58 -28.029 14.262 -12.223 500 HG12 VAL 58 2HG1 VAL 58 -28.364 15.695 -13.198 501 HG13 VAL 58 3HG1 VAL 58 -27.434 14.360 -13.880 502 HG21 VAL 58 3HG2 VAL 58 -26.040 13.631 -11.622 503 HG22 VAL 58 1HG2 VAL 58 -24.562 14.553 -11.897 504 HG23 VAL 58 2HG2 VAL 58 -25.629 14.975 -10.557 505 H GLN 59 H GLN 59 -26.044 18.416 -13.167 506 HA GLN 59 HA GLN 59 -28.149 18.855 -14.962 507 HB2 GLN 59 2HB GLN 59 -27.827 20.311 -13.066 508 HB3 GLN 59 3HB GLN 59 -26.245 20.803 -13.656 509 HG2 GLN 59 2HG GLN 59 -28.435 21.280 -15.537 510 HG3 GLN 59 3HG GLN 59 -28.554 22.182 -14.027 511 HE21 GLN 59 1HE2 GLN 59 -27.595 24.075 -14.020 512 HE22 GLN 59 2HE2 GLN 59 -26.261 24.550 -15.010 513 H LYS 60 H LYS 60 -24.677 19.220 -15.315 514 HA LYS 60 HA LYS 60 -24.745 20.634 -17.778 515 HB2 LYS 60 2HB LYS 60 -22.757 20.701 -16.412 516 HB3 LYS 60 3HB LYS 60 -22.590 18.952 -16.491 517 HG2 LYS 60 2HG LYS 60 -20.993 20.028 -17.955 518 HG3 LYS 60 3HG LYS 60 -22.166 19.104 -18.896 519 HD2 LYS 60 2HD LYS 60 -23.438 21.251 -19.220 520 HD3 LYS 60 3HD LYS 60 -22.065 22.089 -18.494 521 HE2 LYS 60 2HE LYS 60 -20.608 21.337 -20.247 522 HE3 LYS 60 3HE LYS 60 -21.868 20.300 -20.912 523 HZ1 LYS 60 3HZ LYS 60 -22.806 22.004 -21.983 524 HZ2 LYS 60 1HZ LYS 60 -21.333 22.802 -21.746 525 HZ3 LYS 60 2HZ LYS 60 -22.622 23.073 -20.685 526 H PHE 61 H PHE 61 -24.679 17.225 -16.918 527 HA PHE 61 HA PHE 61 -24.284 16.309 -19.605 528 HB2 PHE 61 2HB PHE 61 -24.798 15.053 -16.960 529 HB3 PHE 61 3HB PHE 61 -25.237 14.120 -18.388 530 HD1 PHE 61 HD1 PHE 61 -23.376 14.012 -20.245 531 HD2 PHE 61 HD2 PHE 61 -22.664 14.865 -16.136 532 HE1 PHE 61 HE1 PHE 61 -21.033 13.309 -20.509 533 HE2 PHE 61 HE2 PHE 61 -20.319 14.164 -16.393 534 HZ PHE 61 HZ PHE 61 -19.501 13.386 -18.582 535 H GLY 62 H GLY 62 -26.900 17.640 -18.010 536 HA2 GLY 62 2HA GLY 62 -28.943 18.097 -19.141 537 HA3 GLY 62 3HA GLY 62 -28.714 16.633 -20.086 538 H GLY 63 H GLY 63 -28.163 16.457 -16.684 539 HA2 GLY 63 2HA GLY 63 -29.646 15.829 -14.957 540 HA3 GLY 63 3HA GLY 63 -30.880 15.506 -16.166 541 H ALA 64 H ALA 64 -30.117 13.801 -13.985 542 HA ALA 64 HA ALA 64 -28.385 11.742 -14.583 543 HB1 ALA 64 1HB ALA 64 -29.946 10.316 -13.181 544 HB2 ALA 64 2HB ALA 64 -29.334 11.789 -12.428 545 HB3 ALA 64 3HB ALA 64 -30.978 11.742 -13.063 546 H ASP 65 H ASP 65 -31.599 12.343 -15.829 547 HA ASP 65 HA ASP 65 -32.075 9.801 -16.955 548 HB2 ASP 65 2HB ASP 65 -33.409 12.295 -16.840 549 HB3 ASP 65 3HB ASP 65 -33.282 11.864 -18.543 550 H GLN 66 H GLN 66 -30.421 12.667 -18.152 551 HA GLN 66 HA GLN 66 -30.131 11.780 -20.829 552 HB2 GLN 66 2HB GLN 66 -29.810 14.154 -19.751 553 HB3 GLN 66 3HB GLN 66 -28.148 13.618 -19.547 554 HG2 GLN 66 2HG GLN 66 -27.680 13.983 -21.681 555 HG3 GLN 66 3HG GLN 66 -29.099 13.087 -22.218 556 HE21 GLN 66 1HE2 GLN 66 -27.692 15.856 -22.699 557 HE22 GLN 66 2HE2 GLN 66 -29.041 16.926 -22.836 558 H VAL 67 H VAL 67 -28.166 11.432 -17.928 559 HA VAL 67 HA VAL 67 -25.871 10.360 -19.181 560 HB VAL 67 HB VAL 67 -26.797 9.789 -16.365 561 HG11 VAL 67 1HG1 VAL 67 -24.655 8.785 -17.763 562 HG12 VAL 67 2HG1 VAL 67 -23.951 10.141 -16.880 563 HG13 VAL 67 3HG1 VAL 67 -24.796 8.862 -16.007 564 HG21 VAL 67 3HG2 VAL 67 -26.828 12.099 -16.377 565 HG22 VAL 67 1HG2 VAL 67 -25.161 11.765 -15.908 566 HG23 VAL 67 2HG2 VAL 67 -25.536 12.216 -17.572 567 H THR 68 H THR 68 -28.831 8.913 -17.956 568 HA THR 68 HA THR 68 -27.875 6.214 -18.401 569 HB THR 68 HB THR 68 -29.373 6.629 -16.514 570 HG1 THR 68 HG1 THR 68 -30.865 4.940 -17.014 571 HG21 THR 68 3HG2 THR 68 -30.668 8.475 -17.475 572 HG22 THR 68 1HG2 THR 68 -31.725 7.197 -16.877 573 HG23 THR 68 2HG2 THR 68 -31.427 7.356 -18.607 574 H ARG 69 H ARG 69 -29.805 8.605 -20.042 575 HA ARG 69 HA ARG 69 -31.232 7.028 -21.826 576 HB2 ARG 69 2HB ARG 69 -31.570 9.445 -21.594 577 HB3 ARG 69 3HB ARG 69 -29.994 9.742 -22.316 578 HG2 ARG 69 2HG ARG 69 -31.912 8.125 -23.885 579 HG3 ARG 69 3HG ARG 69 -32.255 9.847 -23.705 580 HD2 ARG 69 2HD ARG 69 -29.480 9.470 -24.311 581 HD3 ARG 69 3HD ARG 69 -30.466 8.611 -25.494 582 HE ARG 69 HE ARG 69 -31.417 11.259 -25.039 583 HH11 ARG 69 1HH1 ARG 69 -28.993 9.406 -26.715 584 HH12 ARG 69 2HH1 ARG 69 -28.783 10.576 -27.975 585 HH21 ARG 69 1HH2 ARG 69 -31.150 12.807 -26.692 586 HH22 ARG 69 2HH2 ARG 69 -30.010 12.511 -27.961 587 H THR 70 H THR 70 -27.916 8.243 -22.053 588 HA THR 70 HA THR 70 -27.529 6.722 -24.529 589 HB THR 70 HB THR 70 -25.158 7.952 -24.205 590 HG1 THR 70 HG1 THR 70 -25.992 10.190 -23.502 591 HG21 THR 70 3HG2 THR 70 -27.139 8.115 -25.984 592 HG22 THR 70 1HG2 THR 70 -25.786 9.245 -25.977 593 HG23 THR 70 2HG2 THR 70 -27.321 9.703 -25.239 594 H GLN 71 H GLN 71 -27.431 6.009 -21.413 595 HA GLN 71 HA GLN 71 -26.343 4.501 -20.101 596 HB2 GLN 71 2HB GLN 71 -26.874 3.204 -22.316 597 HB3 GLN 71 3HB GLN 71 -25.131 3.266 -22.545 598 HG2 GLN 71 2HG GLN 71 -24.748 2.057 -20.527 599 HG3 GLN 71 3HG GLN 71 -26.449 2.167 -20.077 600 HE21 GLN 71 1HE2 GLN 71 -27.975 1.186 -21.696 601 HE22 GLN 71 2HE2 GLN 71 -27.503 -0.318 -22.402 602 H GLN 72 H GLN 72 -25.012 6.828 -20.172 603 HA GLN 72 HA GLN 72 -22.188 6.129 -20.596 604 HB2 GLN 72 2HB GLN 72 -23.729 8.648 -20.784 605 HB3 GLN 72 3HB GLN 72 -22.115 8.783 -20.100 606 HG2 GLN 72 2HG GLN 72 -21.864 7.172 -22.382 607 HG3 GLN 72 3HG GLN 72 -22.912 8.515 -22.833 608 HE21 GLN 72 1HE2 GLN 72 -21.414 9.492 -24.147 609 HE22 GLN 72 2HE2 GLN 72 -19.989 10.259 -23.543 610 H TRP 73 H TRP 73 -24.477 6.312 -18.205 611 HA TRP 73 HA TRP 73 -23.188 7.569 -16.075 612 HB2 TRP 73 2HB TRP 73 -25.499 6.951 -15.871 613 HB3 TRP 73 3HB TRP 73 -25.122 5.248 -16.113 614 HD1 TRP 73 HD1 TRP 73 -23.958 3.947 -14.042 615 HE1 TRP 73 HE1 TRP 73 -24.003 4.424 -11.513 616 HE3 TRP 73 HE3 TRP 73 -25.566 8.799 -14.160 617 HZ2 TRP 73 HZ2 TRP 73 -24.637 6.572 -9.796 618 HZ3 TRP 73 HZ3 TRP 73 -25.867 9.993 -12.030 619 HH2 TRP 73 HH2 TRP 73 -25.412 8.901 -9.894 620 H SER 74 H SER 74 -22.815 4.336 -17.392 621 HA SER 74 HA SER 74 -21.322 3.215 -15.287 622 HB2 SER 74 2HB SER 74 -20.520 1.602 -17.041 623 HB3 SER 74 3HB SER 74 -22.274 1.774 -16.965 624 HG SER 74 HG SER 74 -22.171 2.293 -18.987 625 H MET 75 H MET 75 -20.308 4.897 -18.244 626 HA MET 75 HA MET 75 -17.521 4.670 -17.683 627 HB2 MET 75 2HB MET 75 -19.209 5.977 -19.721 628 HB3 MET 75 3HB MET 75 -17.664 6.758 -19.414 629 HG2 MET 75 2HG MET 75 -16.562 4.553 -19.795 630 HG3 MET 75 3HG MET 75 -18.130 3.923 -20.293 631 HE1 MET 75 3HE MET 75 -15.862 4.313 -23.509 632 HE2 MET 75 1HE MET 75 -15.828 3.499 -21.945 633 HE3 MET 75 2HE MET 75 -17.225 3.311 -23.005 634 H VAL 76 H VAL 76 -19.883 7.306 -17.373 635 HA VAL 76 HA VAL 76 -18.128 9.262 -16.408 636 HB VAL 76 HB VAL 76 -21.069 8.928 -15.802 637 HG11 VAL 76 1HG1 VAL 76 -19.088 10.992 -15.087 638 HG12 VAL 76 2HG1 VAL 76 -20.634 11.581 -15.700 639 HG13 VAL 76 3HG1 VAL 76 -20.589 10.530 -14.284 640 HG21 VAL 76 3HG2 VAL 76 -19.875 10.785 -17.831 641 HG22 VAL 76 1HG2 VAL 76 -20.266 9.114 -18.238 642 HG23 VAL 76 2HG2 VAL 76 -21.536 10.210 -17.695 643 H ALA 77 H ALA 77 -20.128 6.904 -14.663 644 HA ALA 77 HA ALA 77 -19.592 7.712 -12.063 645 HB1 ALA 77 1HB ALA 77 -20.230 5.030 -13.244 646 HB2 ALA 77 2HB ALA 77 -19.973 5.241 -11.512 647 HB3 ALA 77 3HB ALA 77 -21.275 6.111 -12.322 648 H GLN 78 H GLN 78 -17.697 5.674 -14.227 649 HA GLN 78 HA GLN 78 -15.811 4.776 -12.341 650 HB2 GLN 78 2HB GLN 78 -15.980 3.669 -14.463 651 HB3 GLN 78 3HB GLN 78 -15.623 5.157 -15.329 652 HG2 GLN 78 2HG GLN 78 -13.522 4.492 -13.463 653 HG3 GLN 78 3HG GLN 78 -13.829 3.177 -14.596 654 HE21 GLN 78 1HE2 GLN 78 -13.488 3.509 -16.793 655 HE22 GLN 78 2HE2 GLN 78 -12.558 4.839 -17.388 656 H ARG 79 H ARG 79 -16.067 7.729 -14.200 657 HA ARG 79 HA ARG 79 -13.463 8.695 -13.932 658 HB2 ARG 79 2HB ARG 79 -15.576 9.618 -15.220 659 HB3 ARG 79 3HB ARG 79 -15.774 10.580 -13.761 660 HG2 ARG 79 2HG ARG 79 -14.434 12.047 -14.768 661 HG3 ARG 79 3HG ARG 79 -13.128 10.944 -14.328 662 HD2 ARG 79 2HD ARG 79 -12.727 11.134 -16.566 663 HD3 ARG 79 3HD ARG 79 -13.841 9.767 -16.583 664 HE ARG 79 HE ARG 79 -15.302 11.062 -17.754 665 HH11 ARG 79 1HH1 ARG 79 -13.106 13.152 -16.044 666 HH12 ARG 79 2HH1 ARG 79 -13.740 14.606 -16.741 667 HH21 ARG 79 1HH2 ARG 79 -16.145 12.968 -18.680 668 HH22 ARG 79 2HH2 ARG 79 -15.469 14.500 -18.240 669 H LEU 80 H LEU 80 -16.252 9.001 -11.770 670 HA LEU 80 HA LEU 80 -14.578 10.349 -9.785 671 HB2 LEU 80 2HB LEU 80 -16.806 10.498 -8.547 672 HB3 LEU 80 3HB LEU 80 -16.602 11.470 -10.003 673 HG LEU 80 HG LEU 80 -17.889 8.811 -10.302 674 HD11 LEU 80 1HD1 LEU 80 -18.882 9.842 -8.242 675 HD12 LEU 80 2HD1 LEU 80 -20.019 9.551 -9.558 676 HD13 LEU 80 3HD1 LEU 80 -19.419 11.182 -9.256 677 HD21 LEU 80 3HD2 LEU 80 -18.956 9.809 -12.104 678 HD22 LEU 80 1HD2 LEU 80 -17.370 10.580 -12.111 679 HD23 LEU 80 2HD2 LEU 80 -18.763 11.436 -11.448 680 H GLN 81 H GLN 81 -15.366 7.260 -10.627 681 HA GLN 81 HA GLN 81 -15.135 5.241 -9.605 682 HB2 GLN 81 2HB GLN 81 -13.083 6.459 -8.676 683 HB3 GLN 81 3HB GLN 81 -14.024 6.686 -7.207 684 HG2 GLN 81 2HG GLN 81 -13.283 4.717 -6.529 685 HG3 GLN 81 3HG GLN 81 -14.274 3.982 -7.789 686 HE21 GLN 81 1HE2 GLN 81 -11.422 3.673 -6.527 687 HE22 GLN 81 2HE2 GLN 81 -10.444 3.346 -7.913 688 H ILE 82 H ILE 82 -17.626 6.247 -9.492 689 HA ILE 82 HA ILE 82 -18.542 5.868 -6.726 690 HB ILE 82 HB ILE 82 -19.280 7.936 -7.867 691 HG12 ILE 82 2HG1 ILE 82 -21.760 6.304 -7.585 692 HG13 ILE 82 3HG1 ILE 82 -20.687 6.418 -6.194 693 HG21 ILE 82 1HG2 ILE 82 -21.003 7.727 -9.653 694 HG22 ILE 82 2HG2 ILE 82 -19.394 7.197 -10.141 695 HG23 ILE 82 3HG2 ILE 82 -20.631 6.005 -9.743 696 HD11 ILE 82 3HD1 ILE 82 -20.815 8.920 -6.458 697 HD12 ILE 82 1HD1 ILE 82 -22.116 8.640 -7.615 698 HD13 ILE 82 2HD1 ILE 82 -22.297 8.114 -5.941 699 H SER 83 H SER 83 -18.673 4.528 -9.929 700 HA SER 83 HA SER 83 -20.048 2.182 -8.865 701 HB2 SER 83 2HB SER 83 -20.928 3.309 -11.513 702 HB3 SER 83 3HB SER 83 -21.745 2.126 -10.491 703 HG SER 83 HG SER 83 -22.039 4.772 -10.519 704 H ASP 84 H ASP 84 -17.698 1.603 -9.069 705 HA ASP 84 HA ASP 84 -16.915 0.954 -11.819 706 HB2 ASP 84 2HB ASP 84 -15.450 1.441 -9.289 707 HB3 ASP 84 3HB ASP 84 -14.768 0.221 -10.360 708 H TYR 85 H TYR 85 -18.857 -0.648 -11.393 709 HA TYR 85 HA TYR 85 -19.433 -2.855 -11.461 710 HB2 TYR 85 2HB TYR 85 -16.833 -2.957 -12.149 711 HB3 TYR 85 3HB TYR 85 -16.764 -3.851 -10.635 712 HD1 TYR 85 HD2 TYR 85 -19.302 -3.747 -13.377 713 HD2 TYR 85 HD1 TYR 85 -16.586 -6.105 -11.104 714 HE1 TYR 85 HE2 TYR 85 -20.092 -5.765 -14.539 715 HE2 TYR 85 HE1 TYR 85 -17.368 -8.130 -12.260 716 HH TYR 85 HH TYR 85 -18.939 -8.979 -13.629 717 H GLN 86 H GLN 86 -18.015 -4.866 -9.724 718 HA GLN 86 HA GLN 86 -19.695 -4.886 -7.549 719 HB2 GLN 86 2HB GLN 86 -18.218 -6.509 -6.548 720 HB3 GLN 86 3HB GLN 86 -18.267 -6.782 -8.284 721 HG2 GLN 86 2HG GLN 86 -16.139 -5.387 -8.394 722 HG3 GLN 86 3HG GLN 86 -16.063 -5.587 -6.644 723 HE21 GLN 86 1HE2 GLN 86 -15.147 -7.362 -5.862 724 HE22 GLN 86 2HE2 GLN 86 -14.715 -8.758 -6.784 725 H GLN 87 H GLN 87 -16.665 -3.183 -7.945 726 HA GLN 87 HA GLN 87 -16.082 -2.554 -5.302 727 HB2 GLN 87 2HB GLN 87 -14.861 -2.021 -7.602 728 HB3 GLN 87 3HB GLN 87 -15.660 -0.470 -7.389 729 HG2 GLN 87 2HG GLN 87 -13.989 0.147 -6.084 730 HG3 GLN 87 3HG GLN 87 -14.514 -1.062 -4.913 731 HE21 GLN 87 1HE2 GLN 87 -12.853 -1.122 -8.053 732 HE22 GLN 87 2HE2 GLN 87 -11.542 -2.120 -7.531 733 H LEU 88 H LEU 88 -18.523 -1.285 -7.425 734 HA LEU 88 HA LEU 88 -19.099 1.154 -6.250 735 HB2 LEU 88 2HB LEU 88 -21.129 1.092 -7.359 736 HB3 LEU 88 3HB LEU 88 -20.111 0.026 -8.325 737 HG LEU 88 HG LEU 88 -21.230 -1.810 -6.750 738 HD11 LEU 88 1HD1 LEU 88 -23.107 -1.228 -5.704 739 HD12 LEU 88 2HD1 LEU 88 -23.700 -0.325 -7.097 740 HD13 LEU 88 3HD1 LEU 88 -22.604 0.444 -5.949 741 HD21 LEU 88 3HD2 LEU 88 -23.060 -0.962 -8.881 742 HD22 LEU 88 1HD2 LEU 88 -22.218 -2.493 -8.647 743 HD23 LEU 88 2HD2 LEU 88 -21.374 -1.126 -9.373 744 H GLU 89 H GLU 89 -19.692 -2.055 -5.081 745 HA GLU 89 HA GLU 89 -21.707 -1.424 -3.188 746 HB2 GLU 89 2HB GLU 89 -20.710 -3.740 -4.127 747 HB3 GLU 89 3HB GLU 89 -19.838 -3.650 -2.603 748 HG2 GLU 89 2HG GLU 89 -21.845 -3.630 -1.350 749 HG3 GLU 89 3HG GLU 89 -22.822 -3.381 -2.795 750 H SER 90 H SER 90 -18.179 -1.682 -2.972 751 HA SER 90 HA SER 90 -18.037 -1.156 -0.187 752 HB2 SER 90 2HB SER 90 -15.651 -0.327 -1.588 753 HB3 SER 90 3HB SER 90 -15.882 -1.692 -0.496 754 HG SER 90 HG SER 90 -15.327 -2.527 -2.468 755 H ILE 91 H ILE 91 -17.702 0.884 -3.062 756 HA ILE 91 HA ILE 91 -17.046 3.263 -1.687 757 HB ILE 91 HB ILE 91 -18.428 3.027 -4.361 758 HG12 ILE 91 2HG1 ILE 91 -16.386 1.697 -4.357 759 HG13 ILE 91 3HG1 ILE 91 -16.149 3.153 -5.317 760 HG21 ILE 91 1HG2 ILE 91 -17.361 5.255 -2.798 761 HG22 ILE 91 2HG2 ILE 91 -16.778 5.200 -4.461 762 HG23 ILE 91 3HG2 ILE 91 -18.511 5.253 -4.135 763 HD11 ILE 91 3HD1 ILE 91 -14.191 2.969 -4.098 764 HD12 ILE 91 1HD1 ILE 91 -15.133 4.142 -3.178 765 HD13 ILE 91 2HD1 ILE 91 -15.033 2.468 -2.632 766 H TYR 92 H TYR 92 -20.125 1.901 -2.776 767 HA TYR 92 HA TYR 92 -21.724 4.117 -2.056 768 HB2 TYR 92 2HB TYR 92 -22.400 2.252 -3.601 769 HB3 TYR 92 3HB TYR 92 -22.593 1.225 -2.185 770 HD1 TYR 92 HD2 TYR 92 -23.782 4.442 -3.642 771 HD2 TYR 92 HD1 TYR 92 -24.635 1.162 -1.070 772 HE1 TYR 92 HE2 TYR 92 -26.083 5.265 -3.366 773 HE2 TYR 92 HE1 TYR 92 -26.939 1.975 -0.788 774 HH TYR 92 HH TYR 92 -27.921 5.017 -1.545 775 H PHE 93 H PHE 93 -20.759 1.190 -0.330 776 HA PHE 93 HA PHE 93 -22.387 1.575 1.940 777 HB2 PHE 93 2HB PHE 93 -21.292 -0.574 1.374 778 HB3 PHE 93 3HB PHE 93 -19.730 0.140 1.763 779 HD1 PHE 93 HD2 PHE 93 -23.093 -0.262 3.335 780 HD2 PHE 93 HD1 PHE 93 -18.866 -0.327 3.829 781 HE1 PHE 93 HE2 PHE 93 -23.381 -0.926 5.686 782 HE2 PHE 93 HE1 PHE 93 -19.148 -0.992 6.181 783 HZ PHE 93 HZ PHE 93 -21.408 -1.291 7.113 784 H ARG 94 H ARG 94 -18.968 2.368 1.354 785 HA ARG 94 HA ARG 94 -18.509 3.574 3.858 786 HB2 ARG 94 2HB ARG 94 -17.121 4.053 1.215 787 HB3 ARG 94 3HB ARG 94 -16.518 4.567 2.785 788 HG2 ARG 94 2HG ARG 94 -15.894 2.463 3.393 789 HG3 ARG 94 3HG ARG 94 -17.141 1.690 2.412 790 HD2 ARG 94 2HD ARG 94 -15.846 2.437 0.384 791 HD3 ARG 94 3HD ARG 94 -14.548 2.905 1.482 792 HE ARG 94 HE ARG 94 -15.155 0.283 2.087 793 HH11 ARG 94 1HH1 ARG 94 -14.032 2.063 -0.686 794 HH12 ARG 94 2HH1 ARG 94 -13.137 0.732 -1.341 795 HH21 ARG 94 1HH2 ARG 94 -13.980 -1.477 1.235 796 HH22 ARG 94 2HH2 ARG 94 -13.108 -1.281 -0.248 797 H ILE 95 H ILE 95 -19.811 4.790 0.846 798 HA ILE 95 HA ILE 95 -19.679 7.554 1.618 799 HB ILE 95 HB ILE 95 -21.047 6.118 -0.645 800 HG12 ILE 95 2HG1 ILE 95 -18.903 8.244 -0.699 801 HG13 ILE 95 3HG1 ILE 95 -18.543 6.523 -0.630 802 HG21 ILE 95 1HG2 ILE 95 -21.537 8.451 -1.509 803 HG22 ILE 95 2HG2 ILE 95 -22.547 7.876 -0.184 804 HG23 ILE 95 3HG2 ILE 95 -21.238 9.014 0.135 805 HD11 ILE 95 3HD1 ILE 95 -20.107 7.881 -2.812 806 HD12 ILE 95 1HD1 ILE 95 -18.405 7.428 -2.900 807 HD13 ILE 95 2HD1 ILE 95 -19.644 6.181 -2.753 808 H LEU 96 H LEU 96 -21.944 4.953 1.984 809 HA LEU 96 HA LEU 96 -24.111 6.739 2.749 810 HB2 LEU 96 2HB LEU 96 -23.832 3.870 2.114 811 HB3 LEU 96 3HB LEU 96 -25.053 4.281 3.316 812 HG LEU 96 HG LEU 96 -26.039 4.096 1.105 813 HD11 LEU 96 1HD1 LEU 96 -27.461 5.743 1.569 814 HD12 LEU 96 2HD1 LEU 96 -26.234 6.982 1.305 815 HD13 LEU 96 3HD1 LEU 96 -26.365 6.192 2.877 816 HD21 LEU 96 3HD2 LEU 96 -24.379 4.571 -0.437 817 HD22 LEU 96 1HD2 LEU 96 -23.889 6.049 0.390 818 HD23 LEU 96 2HD2 LEU 96 -25.398 6.008 -0.523 819 H LEU 97 H LEU 97 -21.470 5.288 4.212 820 HA LEU 97 HA LEU 97 -22.248 4.344 6.643 821 HB2 LEU 97 2HB LEU 97 -19.907 5.981 5.784 822 HB3 LEU 97 3HB LEU 97 -20.125 5.617 7.494 823 HG LEU 97 HG LEU 97 -19.878 3.550 5.310 824 HD11 LEU 97 1HD1 LEU 97 -17.817 4.213 7.388 825 HD12 LEU 97 2HD1 LEU 97 -17.831 4.985 5.803 826 HD13 LEU 97 3HD1 LEU 97 -17.642 3.237 5.930 827 HD21 LEU 97 3HD2 LEU 97 -19.601 1.988 7.172 828 HD22 LEU 97 1HD2 LEU 97 -21.171 2.789 7.231 829 HD23 LEU 97 2HD2 LEU 97 -19.879 3.301 8.317 830 HA PRO 98 HA PRO 98 -24.153 7.516 8.999 831 HB2 PRO 98 2HB PRO 98 -23.139 7.088 11.481 832 HB3 PRO 98 3HB PRO 98 -24.315 6.007 10.724 833 HG2 PRO 98 2HG PRO 98 -21.342 5.726 10.931 834 HG3 PRO 98 3HG PRO 98 -22.601 4.498 11.163 835 HD2 PRO 98 2HD PRO 98 -21.173 4.706 8.871 836 HD3 PRO 98 3HD PRO 98 -22.861 4.156 8.898 837 H TYR 99 H TYR 99 -20.648 7.249 9.403 838 HA TYR 99 HA TYR 99 -20.312 9.842 10.532 839 HB2 TYR 99 2HB TYR 99 -18.516 7.708 9.493 840 HB3 TYR 99 3HB TYR 99 -17.859 9.337 9.604 841 HD1 TYR 99 HD2 TYR 99 -19.331 6.564 11.549 842 HD2 TYR 99 HD1 TYR 99 -17.294 10.296 11.708 843 HE1 TYR 99 HE2 TYR 99 -18.899 6.219 13.946 844 HE2 TYR 99 HE1 TYR 99 -16.855 9.961 14.105 845 HH TYR 99 HH TYR 99 -18.113 8.515 16.022 846 H GLU 100 H GLU 100 -19.948 8.513 7.266 847 HA GLU 100 HA GLU 100 -19.027 10.898 6.063 848 HB2 GLU 100 2HB GLU 100 -18.914 8.522 5.134 849 HB3 GLU 100 3HB GLU 100 -20.591 8.741 4.656 850 HG2 GLU 100 2HG GLU 100 -18.347 10.543 3.787 851 HG3 GLU 100 3HG GLU 100 -18.934 9.168 2.854 852 H ARG 101 H ARG 101 -22.264 9.428 6.211 853 HA ARG 101 HA ARG 101 -23.589 11.471 4.797 854 HB2 ARG 101 2HB ARG 101 -25.641 10.503 5.642 855 HB3 ARG 101 3HB ARG 101 -24.530 9.216 5.194 856 HG2 ARG 101 2HG ARG 101 -25.245 8.409 7.189 857 HG3 ARG 101 3HG ARG 101 -23.881 9.378 7.752 858 HD2 ARG 101 2HD ARG 101 -25.289 10.476 9.073 859 HD3 ARG 101 3HD ARG 101 -26.053 11.135 7.627 860 HE ARG 101 HE ARG 101 -27.198 8.673 7.969 861 HH11 ARG 101 1HH1 ARG 101 -26.860 11.547 9.905 862 HH12 ARG 101 2HH1 ARG 101 -28.343 11.299 10.766 863 HH21 ARG 101 1HH2 ARG 101 -29.152 8.335 9.096 864 HH22 ARG 101 2HH2 ARG 101 -29.645 9.471 10.306 865 H HIS 102 H HIS 102 -22.805 11.066 8.198 866 HA HIS 102 HA HIS 102 -24.423 13.169 9.184 867 HB2 HIS 102 2HB HIS 102 -23.599 11.491 10.704 868 HB3 HIS 102 3HB HIS 102 -21.928 11.876 10.299 869 HD1 HIS 102 HD1 HIS 102 -20.797 13.434 11.854 870 HD2 HIS 102 HD2 HIS 102 -24.932 13.794 12.036 871 HE1 HIS 102 HE1 HIS 102 -21.248 15.076 13.704 872 H MET 103 H MET 103 -21.006 13.021 8.229 873 HA MET 103 HA MET 103 -20.315 15.647 8.893 874 HB2 MET 103 2HB MET 103 -19.181 13.482 7.292 875 HB3 MET 103 3HB MET 103 -18.777 15.077 6.670 876 HG2 MET 103 2HG MET 103 -17.079 14.256 8.205 877 HG3 MET 103 3HG MET 103 -17.860 15.711 8.821 878 HE1 MET 103 3HE MET 103 -18.913 14.812 12.220 879 HE2 MET 103 1HE MET 103 -17.584 15.634 11.402 880 HE3 MET 103 2HE MET 103 -19.244 15.896 10.868 881 H ILE 104 H ILE 104 -21.591 14.302 5.869 882 HA ILE 104 HA ILE 104 -21.581 16.827 4.515 883 HB ILE 104 HB ILE 104 -22.746 15.705 2.724 884 HG12 ILE 104 2HG1 ILE 104 -23.051 13.389 4.647 885 HG13 ILE 104 3HG1 ILE 104 -24.350 14.434 4.083 886 HG21 ILE 104 1HG2 ILE 104 -20.356 15.305 2.905 887 HG22 ILE 104 2HG2 ILE 104 -20.651 13.919 3.952 888 HG23 ILE 104 3HG2 ILE 104 -21.174 13.879 2.269 889 HD11 ILE 104 3HD1 ILE 104 -23.218 12.091 2.864 890 HD12 ILE 104 1HD1 ILE 104 -24.690 12.973 2.459 891 HD13 ILE 104 2HD1 ILE 104 -23.145 13.471 1.769 892 H SER 105 H SER 105 -23.822 15.084 6.517 893 HA SER 105 HA SER 105 -26.239 16.234 5.762 894 HB2 SER 105 2HB SER 105 -25.192 14.867 8.149 895 HB3 SER 105 3HB SER 105 -26.540 15.959 8.469 896 HG SER 105 HG SER 105 -27.838 14.636 7.470 897 H GLN 106 H GLN 106 -23.650 17.497 7.756 898 HA GLN 106 HA GLN 106 -24.945 19.621 8.990 899 HB2 GLN 106 2HB GLN 106 -22.126 19.101 8.156 900 HB3 GLN 106 3HB GLN 106 -22.557 20.719 8.694 901 HG2 GLN 106 2HG GLN 106 -23.115 19.982 10.841 902 HG3 GLN 106 3HG GLN 106 -23.203 18.296 10.333 903 HE21 GLN 106 1HE2 GLN 106 -20.780 20.869 10.000 904 HE22 GLN 106 2HE2 GLN 106 -19.470 19.955 10.658 905 H GLU 107 H GLU 107 -23.633 19.353 5.734 906 HA GLU 107 HA GLU 107 -24.687 22.040 5.143 907 HB2 GLU 107 2HB GLU 107 -22.149 21.301 4.795 908 HB3 GLU 107 3HB GLU 107 -22.796 20.695 3.277 909 HG2 GLU 107 2HG GLU 107 -23.844 23.105 3.150 910 HG3 GLU 107 3HG GLU 107 -22.512 23.488 4.240 911 H GLY 108 H GLY 108 -26.058 19.354 5.165 912 HA2 GLY 108 2HA GLY 108 -27.675 19.752 2.882 913 HA3 GLY 108 3HA GLY 108 -26.556 18.432 2.578 914 H ILE 109 H ILE 109 -28.449 19.454 5.421 915 HA ILE 109 HA ILE 109 -28.945 16.892 6.384 916 HB ILE 109 HB ILE 109 -30.936 17.944 7.544 917 HG12 ILE 109 2HG1 ILE 109 -29.852 20.488 6.325 918 HG13 ILE 109 3HG1 ILE 109 -31.292 19.665 5.737 919 HG21 ILE 109 1HG2 ILE 109 -28.395 19.513 7.887 920 HG22 ILE 109 2HG2 ILE 109 -29.585 19.078 9.112 921 HG23 ILE 109 3HG2 ILE 109 -28.557 17.834 8.402 922 HD11 ILE 109 3HD1 ILE 109 -32.130 19.890 8.163 923 HD12 ILE 109 1HD1 ILE 109 -30.866 21.110 8.314 924 HD13 ILE 109 2HD1 ILE 109 -32.145 21.308 7.116 925 H LYS 110 H LYS 110 -30.429 18.620 3.786 926 HA LYS 110 HA LYS 110 -32.918 17.374 3.636 927 HB2 LYS 110 2HB LYS 110 -31.102 18.514 1.520 928 HB3 LYS 110 3HB LYS 110 -32.678 17.841 1.126 929 HG2 LYS 110 2HG LYS 110 -32.236 20.081 3.087 930 HG3 LYS 110 3HG LYS 110 -32.662 20.307 1.389 931 HD2 LYS 110 2HD LYS 110 -34.701 18.924 1.795 932 HD3 LYS 110 3HD LYS 110 -34.294 18.920 3.513 933 HE2 LYS 110 2HE LYS 110 -34.351 21.412 3.458 934 HE3 LYS 110 3HE LYS 110 -34.931 21.316 1.796 935 HZ1 LYS 110 3HZ LYS 110 -36.566 19.654 3.275 936 HZ2 LYS 110 1HZ LYS 110 -36.966 21.163 2.623 937 HZ3 LYS 110 2HZ LYS 110 -36.389 21.053 4.209 938 H GLU 111 H GLU 111 -29.756 16.172 2.913 939 HA GLU 111 HA GLU 111 -30.605 14.002 1.250 940 HB2 GLU 111 2HB GLU 111 -28.221 15.169 1.627 941 HB3 GLU 111 3HB GLU 111 -28.044 13.823 2.743 942 HG2 GLU 111 2HG GLU 111 -27.174 12.937 0.822 943 HG3 GLU 111 3HG GLU 111 -28.848 12.395 0.724 944 H THR 112 H THR 112 -30.317 14.543 4.655 945 HA THR 112 HA THR 112 -30.105 11.886 5.552 946 HB THR 112 HB THR 112 -31.596 14.040 7.041 947 HG1 THR 112 HG1 THR 112 -29.803 15.153 6.995 948 HG21 THR 112 3HG2 THR 112 -30.037 12.761 8.839 949 HG22 THR 112 1HG2 THR 112 -30.333 11.455 7.692 950 HG23 THR 112 2HG2 THR 112 -31.691 12.279 8.459 951 H GLN 113 H GLN 113 -32.970 13.948 5.084 952 HA GLN 113 HA GLN 113 -34.865 12.014 5.849 953 HB2 GLN 113 2HB GLN 113 -35.065 14.610 5.396 954 HB3 GLN 113 3HB GLN 113 -35.542 14.069 3.792 955 HG2 GLN 113 2HG GLN 113 -37.485 13.110 4.538 956 HG3 GLN 113 3HG GLN 113 -36.864 12.865 6.169 957 HE21 GLN 113 1HE2 GLN 113 -36.317 15.001 7.304 958 HE22 GLN 113 2HE2 GLN 113 -37.513 16.241 7.178 959 H ALA 114 H ALA 114 -33.042 12.429 2.961 960 HA ALA 114 HA ALA 114 -34.740 11.143 1.117 961 HB1 ALA 114 1HB ALA 114 -32.605 12.514 0.693 962 HB2 ALA 114 2HB ALA 114 -31.752 10.993 0.956 963 HB3 ALA 114 3HB ALA 114 -32.932 11.128 -0.348 964 H LYS 115 H LYS 115 -32.571 9.932 3.560 965 HA LYS 115 HA LYS 115 -33.387 7.196 2.858 966 HB2 LYS 115 2HB LYS 115 -30.668 8.300 3.111 967 HB3 LYS 115 3HB LYS 115 -30.934 6.799 3.988 968 HG2 LYS 115 2HG LYS 115 -31.978 6.758 1.263 969 HG3 LYS 115 3HG LYS 115 -30.232 7.001 1.358 970 HD2 LYS 115 2HD LYS 115 -29.911 4.858 1.862 971 HD3 LYS 115 3HD LYS 115 -31.047 4.960 3.209 972 HE2 LYS 115 2HE LYS 115 -32.770 4.117 1.994 973 HE3 LYS 115 3HE LYS 115 -32.211 4.849 0.491 974 HZ1 LYS 115 3HZ LYS 115 -32.014 2.232 1.105 975 HZ2 LYS 115 1HZ LYS 115 -30.470 2.793 1.510 976 HZ3 LYS 115 2HZ LYS 115 -31.070 3.024 -0.054 977 H ARG 116 H ARG 116 -34.468 6.306 4.478 978 HA ARG 116 HA ARG 116 -34.448 7.463 7.106 979 HB2 ARG 116 2HB ARG 116 -36.084 5.693 7.644 980 HB3 ARG 116 3HB ARG 116 -36.523 6.592 6.198 981 HG2 ARG 116 2HG ARG 116 -34.967 4.388 5.367 982 HG3 ARG 116 3HG ARG 116 -36.160 3.791 6.523 983 HD2 ARG 116 2HD ARG 116 -36.676 5.365 4.006 984 HD3 ARG 116 3HD ARG 116 -37.110 3.686 4.324 985 HE ARG 116 HE ARG 116 -38.518 6.044 5.197 986 HH11 ARG 116 1HH1 ARG 116 -37.958 2.652 5.744 987 HH12 ARG 116 2HH1 ARG 116 -39.463 2.401 6.564 988 HH21 ARG 116 1HH2 ARG 116 -40.504 5.727 6.275 989 HH22 ARG 116 2HH2 ARG 116 -40.911 4.151 6.864 Start of MODEL 19 1 H1 GLN 1 H GLN 1 -0.505 -2.150 -1.152 2 HA GLN 1 HA GLN 1 -0.556 -0.463 -2.702 3 HB2 GLN 1 2HB GLN 1 -3.289 -1.396 -2.186 4 HB3 GLN 1 3HB GLN 1 -3.211 0.187 -2.947 5 HG2 GLN 1 2HG GLN 1 -2.010 -0.668 -4.803 6 HG3 GLN 1 3HG GLN 1 -1.748 -2.216 -4.000 7 HE21 GLN 1 1HE2 GLN 1 -3.845 -3.326 -3.339 8 HE22 GLN 1 2HE2 GLN 1 -5.104 -3.336 -4.522 9 H SER 2 H SER 2 0.382 1.380 -2.041 10 HA SER 2 HA SER 2 -1.352 3.415 -0.844 11 HB2 SER 2 2HB SER 2 1.263 2.428 0.254 12 HB3 SER 2 3HB SER 2 0.759 4.095 0.530 13 HG SER 2 HG SER 2 -1.052 3.355 1.591 14 H LEU 3 H LEU 3 -1.362 4.201 -3.040 15 HA LEU 3 HA LEU 3 0.492 6.270 -3.481 16 HB2 LEU 3 2HB LEU 3 1.448 5.375 -5.629 17 HB3 LEU 3 3HB LEU 3 2.077 4.663 -4.145 18 HG LEU 3 HG LEU 3 -0.079 3.045 -5.012 19 HD11 LEU 3 1HD1 LEU 3 1.927 3.133 -7.202 20 HD12 LEU 3 2HD1 LEU 3 0.617 4.313 -7.215 21 HD13 LEU 3 3HD1 LEU 3 0.249 2.589 -7.223 22 HD21 LEU 3 3HD2 LEU 3 1.740 2.194 -3.729 23 HD22 LEU 3 1HD2 LEU 3 2.911 2.689 -4.952 24 HD23 LEU 3 2HD2 LEU 3 1.775 1.385 -5.296 25 H ASN 4 H ASN 4 -0.895 7.729 -4.223 26 HA ASN 4 HA ASN 4 -3.308 7.156 -5.533 27 HB2 ASN 4 2HB ASN 4 -3.178 9.655 -6.164 28 HB3 ASN 4 3HB ASN 4 -3.220 9.237 -4.454 29 HD21 ASN 4 1HD2 ASN 4 -2.020 10.659 -3.419 30 HD22 ASN 4 2HD2 ASN 4 -0.428 11.158 -3.866 31 HA PRO 5 HA PRO 5 -2.279 6.630 -9.767 32 HB2 PRO 5 2HB PRO 5 -4.356 7.868 -11.002 33 HB3 PRO 5 3HB PRO 5 -4.521 6.322 -10.162 34 HG2 PRO 5 2HG PRO 5 -5.202 9.077 -9.209 35 HG3 PRO 5 3HG PRO 5 -6.122 7.572 -9.030 36 HD2 PRO 5 2HD PRO 5 -4.611 8.603 -7.033 37 HD3 PRO 5 3HD PRO 5 -4.845 6.856 -7.249 38 H ALA 6 H ALA 6 -2.968 9.894 -8.663 39 HA ALA 6 HA ALA 6 -2.256 11.948 -9.353 40 HB1 ALA 6 1HB ALA 6 0.120 12.047 -10.080 41 HB2 ALA 6 2HB ALA 6 -0.134 11.129 -8.595 42 HB3 ALA 6 3HB ALA 6 0.137 10.283 -10.118 43 H LEU 7 H LEU 7 -3.811 10.357 -11.264 44 HA LEU 7 HA LEU 7 -2.744 11.343 -13.818 45 HB2 LEU 7 2HB LEU 7 -3.839 8.890 -13.102 46 HB3 LEU 7 3HB LEU 7 -5.115 9.694 -14.013 47 HG LEU 7 HG LEU 7 -3.829 8.296 -15.490 48 HD11 LEU 7 1HD1 LEU 7 -4.418 10.916 -15.940 49 HD12 LEU 7 2HD1 LEU 7 -3.841 9.783 -17.162 50 HD13 LEU 7 3HD1 LEU 7 -2.703 10.856 -16.348 51 HD21 LEU 7 3HD2 LEU 7 -1.738 8.548 -13.957 52 HD22 LEU 7 1HD2 LEU 7 -1.363 9.913 -15.010 53 HD23 LEU 7 2HD2 LEU 7 -1.531 8.294 -15.691 54 H GLN 8 H GLN 8 -5.713 11.212 -11.881 55 HA GLN 8 HA GLN 8 -6.592 13.677 -13.213 56 HB2 GLN 8 2HB GLN 8 -8.398 11.342 -12.565 57 HB3 GLN 8 3HB GLN 8 -8.889 12.865 -13.293 58 HG2 GLN 8 2HG GLN 8 -7.036 12.138 -15.066 59 HG3 GLN 8 3HG GLN 8 -7.515 10.542 -14.491 60 HE21 GLN 8 1HE2 GLN 8 -8.417 13.314 -16.311 61 HE22 GLN 8 2HE2 GLN 8 -9.919 12.706 -16.908 62 H GLU 9 H GLU 9 -5.349 14.042 -10.968 63 HA GLU 9 HA GLU 9 -7.481 14.477 -8.990 64 HB2 GLU 9 2HB GLU 9 -5.811 14.035 -7.191 65 HB3 GLU 9 3HB GLU 9 -6.213 12.618 -8.150 66 HG2 GLU 9 2HG GLU 9 -4.152 12.554 -9.172 67 HG3 GLU 9 3HG GLU 9 -3.835 14.263 -8.877 68 H LYS 10 H LYS 10 -7.203 16.518 -10.464 69 HA LYS 10 HA LYS 10 -5.067 18.252 -9.461 70 HB2 LYS 10 2HB LYS 10 -6.729 18.164 -11.896 71 HB3 LYS 10 3HB LYS 10 -6.427 19.777 -11.263 72 HG2 LYS 10 2HG LYS 10 -4.117 19.584 -11.547 73 HG3 LYS 10 3HG LYS 10 -4.193 17.828 -11.701 74 HD2 LYS 10 2HD LYS 10 -5.831 18.914 -13.731 75 HD3 LYS 10 3HD LYS 10 -4.315 19.820 -13.746 76 HE2 LYS 10 2HE LYS 10 -3.048 17.781 -13.955 77 HE3 LYS 10 3HE LYS 10 -4.508 16.810 -13.775 78 HZ1 LYS 10 3HZ LYS 10 -4.542 18.759 -15.927 79 HZ2 LYS 10 1HZ LYS 10 -5.111 17.165 -15.898 80 HZ3 LYS 10 2HZ LYS 10 -3.464 17.471 -16.127 81 H ILE 11 H ILE 11 -5.825 18.709 -7.392 82 HA ILE 11 HA ILE 11 -8.444 19.527 -6.772 83 HB ILE 11 HB ILE 11 -6.718 18.760 -5.116 84 HG12 ILE 11 2HG1 ILE 11 -7.951 21.434 -4.433 85 HG13 ILE 11 3HG1 ILE 11 -8.866 19.934 -4.520 86 HG21 ILE 11 1HG2 ILE 11 -5.722 21.528 -4.827 87 HG22 ILE 11 2HG2 ILE 11 -4.908 19.992 -4.538 88 HG23 ILE 11 3HG2 ILE 11 -5.093 20.595 -6.185 89 HD11 ILE 11 3HD1 ILE 11 -8.400 19.646 -2.378 90 HD12 ILE 11 1HD1 ILE 11 -6.726 19.355 -2.851 91 HD13 ILE 11 2HD1 ILE 11 -7.242 20.976 -2.387 92 H SER 12 H SER 12 -9.204 21.638 -6.160 93 HA SER 12 HA SER 12 -9.560 23.862 -6.481 94 HB2 SER 12 2HB SER 12 -6.778 24.400 -7.383 95 HB3 SER 12 3HB SER 12 -7.775 25.273 -6.219 96 HG SER 12 HG SER 12 -5.964 24.069 -5.317 97 H THR 13 H THR 13 -10.778 24.355 -8.170 98 HA THR 13 HA THR 13 -9.696 23.952 -10.876 99 HB THR 13 HB THR 13 -12.358 24.491 -11.247 100 HG1 THR 13 HG1 THR 13 -13.484 23.355 -9.664 101 HG21 THR 13 3HG2 THR 13 -11.077 21.795 -10.779 102 HG22 THR 13 1HG2 THR 13 -11.090 22.687 -12.300 103 HG23 THR 13 2HG2 THR 13 -12.600 22.076 -11.622 104 H GLU 14 H GLU 14 -12.235 26.094 -9.606 105 HA GLU 14 HA GLU 14 -11.232 28.248 -11.276 106 HB2 GLU 14 2HB GLU 14 -13.761 27.596 -9.939 107 HB3 GLU 14 3HB GLU 14 -13.338 29.301 -9.866 108 HG2 GLU 14 2HG GLU 14 -12.916 28.276 -12.516 109 HG3 GLU 14 3HG GLU 14 -14.557 27.934 -11.971 110 H LEU 15 H LEU 15 -10.662 27.138 -8.194 111 HA LEU 15 HA LEU 15 -9.284 28.010 -6.575 112 HB2 LEU 15 2HB LEU 15 -8.739 29.674 -8.618 113 HB3 LEU 15 3HB LEU 15 -9.502 30.805 -7.501 114 HG LEU 15 HG LEU 15 -7.820 30.017 -5.774 115 HD11 LEU 15 1HD1 LEU 15 -6.023 28.719 -6.340 116 HD12 LEU 15 2HD1 LEU 15 -6.125 29.126 -8.053 117 HD13 LEU 15 3HD1 LEU 15 -7.272 27.988 -7.347 118 HD21 LEU 15 3HD2 LEU 15 -6.158 31.202 -7.856 119 HD22 LEU 15 1HD2 LEU 15 -6.634 31.840 -6.282 120 HD23 LEU 15 2HD2 LEU 15 -7.717 32.006 -7.664 121 H ASN 16 H ASN 16 -12.274 29.451 -7.531 122 HA ASN 16 HA ASN 16 -12.690 30.628 -4.887 123 HB2 ASN 16 2HB ASN 16 -13.626 31.218 -7.541 124 HB3 ASN 16 3HB ASN 16 -15.005 30.944 -6.480 125 HD21 ASN 16 1HD2 ASN 16 -11.935 32.695 -6.643 126 HD22 ASN 16 2HD2 ASN 16 -12.484 34.087 -5.780 127 H ASN 17 H ASN 17 -14.154 28.252 -7.078 128 HA ASN 17 HA ASN 17 -16.134 27.441 -5.169 129 HB2 ASN 17 2HB ASN 17 -15.247 26.393 -7.848 130 HB3 ASN 17 3HB ASN 17 -16.397 25.500 -6.857 131 HD21 ASN 17 1HD2 ASN 17 -17.541 26.005 -9.006 132 HD22 ASN 17 2HD2 ASN 17 -18.535 27.418 -9.001 133 H LYS 18 H LYS 18 -12.855 26.678 -5.735 134 HA LYS 18 HA LYS 18 -12.624 24.032 -4.986 135 HB2 LYS 18 2HB LYS 18 -10.718 25.315 -5.763 136 HB3 LYS 18 3HB LYS 18 -10.790 26.348 -4.341 137 HG2 LYS 18 2HG LYS 18 -10.492 23.449 -3.857 138 HG3 LYS 18 3HG LYS 18 -9.111 24.288 -4.568 139 HD2 LYS 18 2HD LYS 18 -10.485 25.468 -2.193 140 HD3 LYS 18 3HD LYS 18 -9.366 24.121 -1.968 141 HE2 LYS 18 2HE LYS 18 -8.344 26.227 -3.718 142 HE3 LYS 18 3HE LYS 18 -8.676 26.772 -2.075 143 HZ1 LYS 18 3HZ LYS 18 -6.378 25.769 -2.655 144 HZ2 LYS 18 1HZ LYS 18 -7.171 24.282 -2.504 145 HZ3 LYS 18 2HZ LYS 18 -7.121 25.350 -1.194 146 H GLN 19 H GLN 19 -13.309 26.823 -3.012 147 HA GLN 19 HA GLN 19 -12.706 25.737 -0.490 148 HB2 GLN 19 2HB GLN 19 -14.598 27.901 -1.382 149 HB3 GLN 19 3HB GLN 19 -14.434 27.454 0.310 150 HG2 GLN 19 2HG GLN 19 -12.216 28.184 0.409 151 HG3 GLN 19 3HG GLN 19 -12.061 28.223 -1.347 152 HE21 GLN 19 1HE2 GLN 19 -11.362 30.357 0.294 153 HE22 GLN 19 2HE2 GLN 19 -12.435 31.674 -0.019 154 H TYR 20 H TYR 20 -15.719 25.780 -2.362 155 HA TYR 20 HA TYR 20 -17.244 24.399 -0.396 156 HB2 TYR 20 2HB TYR 20 -17.735 25.655 -2.888 157 HB3 TYR 20 3HB TYR 20 -18.319 24.000 -3.022 158 HD1 TYR 20 HD1 TYR 20 -18.513 26.994 -0.812 159 HD2 TYR 20 HD2 TYR 20 -20.413 23.440 -2.175 160 HE1 TYR 20 HE1 TYR 20 -20.552 27.622 0.413 161 HE2 TYR 20 HE2 TYR 20 -22.458 24.058 -0.955 162 HH TYR 20 HH TYR 20 -23.349 26.728 -0.091 163 H GLU 21 H GLU 21 -15.640 23.387 -3.398 164 HA GLU 21 HA GLU 21 -16.426 20.691 -3.310 165 HB2 GLU 21 2HB GLU 21 -13.876 21.796 -4.495 166 HB3 GLU 21 3HB GLU 21 -14.669 20.287 -4.924 167 HG2 GLU 21 2HG GLU 21 -16.452 21.398 -5.976 168 HG3 GLU 21 3HG GLU 21 -16.011 22.948 -5.261 169 H LEU 22 H LEU 22 -13.495 22.303 -2.117 170 HA LEU 22 HA LEU 22 -12.212 19.995 -1.153 171 HB2 LEU 22 2HB LEU 22 -10.943 21.978 -1.444 172 HB3 LEU 22 3HB LEU 22 -12.010 22.894 -0.382 173 HG LEU 22 HG LEU 22 -10.600 20.604 0.843 174 HD11 LEU 22 1HD1 LEU 22 -9.112 23.149 0.241 175 HD12 LEU 22 2HD1 LEU 22 -8.911 21.660 -0.682 176 HD13 LEU 22 3HD1 LEU 22 -8.501 21.696 1.033 177 HD21 LEU 22 3HD2 LEU 22 -12.020 21.980 2.198 178 HD22 LEU 22 1HD2 LEU 22 -11.208 23.445 1.646 179 HD23 LEU 22 2HD2 LEU 22 -10.345 22.287 2.659 180 H PHE 23 H PHE 23 -14.653 22.082 0.237 181 HA PHE 23 HA PHE 23 -14.460 21.285 2.915 182 HB2 PHE 23 2HB PHE 23 -15.838 23.197 1.912 183 HB3 PHE 23 3HB PHE 23 -17.057 21.978 1.552 184 HD1 PHE 23 HD1 PHE 23 -14.974 23.154 4.415 185 HD2 PHE 23 HD2 PHE 23 -18.724 21.636 3.090 186 HE1 PHE 23 HE1 PHE 23 -15.869 23.385 6.695 187 HE2 PHE 23 HE2 PHE 23 -19.625 21.865 5.368 188 HZ PHE 23 HZ PHE 23 -18.198 22.741 7.174 189 H MET 24 H MET 24 -16.483 20.007 0.284 190 HA MET 24 HA MET 24 -17.520 17.884 1.923 191 HB2 MET 24 2HB MET 24 -17.789 18.666 -0.957 192 HB3 MET 24 3HB MET 24 -18.318 17.073 -0.432 193 HG2 MET 24 2HG MET 24 -19.277 19.656 0.774 194 HG3 MET 24 3HG MET 24 -20.114 18.784 -0.509 195 HE1 MET 24 3HE MET 24 -21.721 18.775 3.120 196 HE2 MET 24 1HE MET 24 -20.051 18.745 3.686 197 HE3 MET 24 2HE MET 24 -20.531 19.873 2.419 198 H LYS 25 H LYS 25 -14.978 18.262 -0.464 199 HA LYS 25 HA LYS 25 -14.441 15.519 -0.877 200 HB2 LYS 25 2HB LYS 25 -13.623 17.197 -2.425 201 HB3 LYS 25 3HB LYS 25 -12.657 17.943 -1.159 202 HG2 LYS 25 2HG LYS 25 -12.129 15.090 -1.674 203 HG3 LYS 25 3HG LYS 25 -11.678 16.214 -2.958 204 HD2 LYS 25 2HD LYS 25 -10.857 16.529 -0.074 205 HD3 LYS 25 3HD LYS 25 -9.862 15.744 -1.303 206 HE2 LYS 25 2HE LYS 25 -9.297 17.698 -2.277 207 HE3 LYS 25 3HE LYS 25 -10.891 18.407 -2.020 208 HZ1 LYS 25 3HZ LYS 25 -8.597 18.304 -0.169 209 HZ2 LYS 25 1HZ LYS 25 -10.170 18.503 0.423 210 HZ3 LYS 25 2HZ LYS 25 -9.518 19.640 -0.647 211 H SER 26 H SER 26 -13.254 17.869 1.466 212 HA SER 26 HA SER 26 -11.247 16.184 2.573 213 HB2 SER 26 2HB SER 26 -11.406 18.728 2.760 214 HB3 SER 26 3HB SER 26 -12.613 18.456 4.016 215 HG SER 26 HG SER 26 -10.123 18.600 4.448 216 H LEU 27 H LEU 27 -14.637 16.769 3.292 217 HA LEU 27 HA LEU 27 -14.677 15.337 5.750 218 HB2 LEU 27 2HB LEU 27 -16.812 16.229 3.837 219 HB3 LEU 27 3HB LEU 27 -17.187 15.287 5.279 220 HG LEU 27 HG LEU 27 -15.930 18.030 5.217 221 HD11 LEU 27 1HD1 LEU 27 -18.561 17.368 4.871 222 HD12 LEU 27 2HD1 LEU 27 -17.966 18.905 5.496 223 HD13 LEU 27 3HD1 LEU 27 -18.462 17.633 6.612 224 HD21 LEU 27 3HD2 LEU 27 -16.820 17.451 7.783 225 HD22 LEU 27 1HD2 LEU 27 -15.145 17.524 7.235 226 HD23 LEU 27 2HD2 LEU 27 -15.999 15.981 7.256 227 H ILE 28 H ILE 28 -15.731 14.502 2.453 228 HA ILE 28 HA ILE 28 -16.539 11.878 3.011 229 HB ILE 28 HB ILE 28 -17.190 12.898 0.938 230 HG12 ILE 28 2HG1 ILE 28 -16.589 11.127 -0.656 231 HG13 ILE 28 3HG1 ILE 28 -15.266 10.625 0.391 232 HG21 ILE 28 1HG2 ILE 28 -14.812 14.078 0.849 233 HG22 ILE 28 2HG2 ILE 28 -14.482 12.746 -0.258 234 HG23 ILE 28 3HG2 ILE 28 -15.807 13.860 -0.591 235 HD11 ILE 28 3HD1 ILE 28 -16.756 9.840 2.046 236 HD12 ILE 28 1HD1 ILE 28 -18.138 10.608 1.264 237 HD13 ILE 28 2HD1 ILE 28 -17.346 9.229 0.500 238 H GLU 29 H GLU 29 -13.416 13.140 1.883 239 HA GLU 29 HA GLU 29 -12.142 10.623 1.688 240 HB2 GLU 29 2HB GLU 29 -10.129 11.820 1.363 241 HB3 GLU 29 3HB GLU 29 -11.390 12.815 0.648 242 HG2 GLU 29 2HG GLU 29 -11.420 14.216 2.649 243 HG3 GLU 29 3HG GLU 29 -10.149 13.223 3.359 244 H ASN 30 H ASN 30 -12.571 12.901 4.317 245 HA ASN 30 HA ASN 30 -10.688 11.694 6.081 246 HB2 ASN 30 2HB ASN 30 -11.333 13.997 6.428 247 HB3 ASN 30 3HB ASN 30 -13.025 13.540 6.605 248 HD21 ASN 30 1HD2 ASN 30 -10.033 13.959 8.158 249 HD22 ASN 30 2HD2 ASN 30 -10.511 13.439 9.735 250 H CYS 31 H CYS 31 -14.245 11.597 5.916 251 HA CYS 31 HA CYS 31 -14.564 9.720 7.998 252 HB2 CYS 31 2HB CYS 31 -16.334 10.600 5.726 253 HB3 CYS 31 3HB CYS 31 -16.841 9.349 6.854 254 HG CYS 31 HG CYS 31 -15.764 11.911 8.583 255 H LYS 32 H LYS 32 -14.429 9.348 4.473 256 HA LYS 32 HA LYS 32 -14.890 6.582 4.387 257 HB2 LYS 32 2HB LYS 32 -15.064 7.839 2.366 258 HB3 LYS 32 3HB LYS 32 -13.417 8.436 2.518 259 HG2 LYS 32 2HG LYS 32 -12.582 6.144 2.175 260 HG3 LYS 32 3HG LYS 32 -14.245 5.597 1.946 261 HD2 LYS 32 2HD LYS 32 -14.276 6.308 -0.170 262 HD3 LYS 32 3HD LYS 32 -13.615 7.883 0.275 263 HE2 LYS 32 2HE LYS 32 -11.429 7.195 -0.021 264 HE3 LYS 32 3HE LYS 32 -11.826 5.492 0.205 265 HZ1 LYS 32 3HZ LYS 32 -11.933 7.115 -2.198 266 HZ2 LYS 32 1HZ LYS 32 -13.221 6.038 -1.991 267 HZ3 LYS 32 2HZ LYS 32 -11.632 5.460 -2.020 268 H LYS 33 H LYS 33 -11.957 8.449 4.888 269 HA LYS 33 HA LYS 33 -10.137 6.290 4.626 270 HB2 LYS 33 2HB LYS 33 -10.026 9.074 5.660 271 HB3 LYS 33 3HB LYS 33 -8.768 7.970 6.201 272 HG2 LYS 33 2HG LYS 33 -9.127 7.732 3.365 273 HG3 LYS 33 3HG LYS 33 -8.867 9.421 3.810 274 HD2 LYS 33 2HD LYS 33 -7.117 7.211 4.853 275 HD3 LYS 33 3HD LYS 33 -6.800 8.005 3.309 276 HE2 LYS 33 2HE LYS 33 -5.590 9.432 4.554 277 HE3 LYS 33 3HE LYS 33 -7.155 10.147 4.935 278 HZ1 LYS 33 3HZ LYS 33 -5.579 9.538 6.847 279 HZ2 LYS 33 1HZ LYS 33 -6.078 7.945 6.572 280 HZ3 LYS 33 2HZ LYS 33 -7.213 9.126 6.993 281 H ARG 34 H ARG 34 -12.242 7.319 7.151 282 HA ARG 34 HA ARG 34 -10.816 5.883 9.228 283 HB2 ARG 34 2HB ARG 34 -12.825 7.919 9.131 284 HB3 ARG 34 3HB ARG 34 -13.433 6.570 10.080 285 HG2 ARG 34 2HG ARG 34 -12.267 7.295 11.811 286 HG3 ARG 34 3HG ARG 34 -10.778 7.012 10.906 287 HD2 ARG 34 2HD ARG 34 -10.988 9.262 9.917 288 HD3 ARG 34 3HD ARG 34 -12.429 9.536 10.896 289 HE ARG 34 HE ARG 34 -10.227 8.799 12.523 290 HH11 ARG 34 1HH1 ARG 34 -11.542 11.458 10.701 291 HH12 ARG 34 2HH1 ARG 34 -10.784 12.672 11.678 292 HH21 ARG 34 1HH2 ARG 34 -9.224 10.388 13.817 293 HH22 ARG 34 2HH2 ARG 34 -9.466 12.062 13.449 294 H ASN 35 H ASN 35 -12.520 4.846 6.713 295 HA ASN 35 HA ASN 35 -13.774 2.646 8.221 296 HB2 ASN 35 2HB ASN 35 -15.243 4.315 6.828 297 HB3 ASN 35 3HB ASN 35 -14.665 3.377 5.454 298 HD21 ASN 35 1HD2 ASN 35 -15.740 1.606 4.939 299 HD22 ASN 35 2HD2 ASN 35 -16.890 0.796 5.941 300 H MET 36 H MET 36 -12.446 3.434 5.004 301 HA MET 36 HA MET 36 -10.871 0.989 5.076 302 HB2 MET 36 2HB MET 36 -13.233 0.676 3.954 303 HB3 MET 36 3HB MET 36 -12.462 1.476 2.591 304 HG2 MET 36 2HG MET 36 -11.750 -0.527 1.972 305 HG3 MET 36 3HG MET 36 -10.633 -0.449 3.332 306 HE1 MET 36 3HE MET 36 -11.093 -2.881 2.162 307 HE2 MET 36 1HE MET 36 -11.830 -4.078 3.228 308 HE3 MET 36 2HE MET 36 -12.785 -3.332 1.947 309 HA PRO 37 HA PRO 37 -8.707 4.653 3.229 310 HB2 PRO 37 2HB PRO 37 -6.424 4.314 4.659 311 HB3 PRO 37 3HB PRO 37 -7.810 5.229 5.265 312 HG2 PRO 37 2HG PRO 37 -6.999 2.408 5.854 313 HG3 PRO 37 3HG PRO 37 -7.587 3.658 6.965 314 HD2 PRO 37 2HD PRO 37 -9.182 1.686 6.017 315 HD3 PRO 37 3HD PRO 37 -9.792 3.310 6.391 316 H LEU 38 H LEU 38 -6.797 4.678 1.900 317 HA LEU 38 HA LEU 38 -5.784 2.012 1.173 318 HB2 LEU 38 2HB LEU 38 -6.724 4.210 -0.654 319 HB3 LEU 38 3HB LEU 38 -5.713 2.874 -1.202 320 HG LEU 38 HG LEU 38 -7.788 1.558 -0.004 321 HD11 LEU 38 1HD1 LEU 38 -9.705 2.851 -1.360 322 HD12 LEU 38 2HD1 LEU 38 -8.718 4.225 -0.863 323 HD13 LEU 38 3HD1 LEU 38 -9.374 3.126 0.351 324 HD21 LEU 38 3HD2 LEU 38 -8.078 2.321 -2.861 325 HD22 LEU 38 1HD2 LEU 38 -8.179 0.735 -2.095 326 HD23 LEU 38 2HD2 LEU 38 -6.605 1.484 -2.367 327 H GLN 39 H GLN 39 -5.131 5.273 -0.075 328 HA GLN 39 HA GLN 39 -2.294 4.856 0.569 329 HB2 GLN 39 2HB GLN 39 -2.608 5.201 -1.772 330 HB3 GLN 39 3HB GLN 39 -3.656 6.585 -1.493 331 HG2 GLN 39 2HG GLN 39 -0.889 6.729 -0.446 332 HG3 GLN 39 3HG GLN 39 -1.114 6.839 -2.191 333 HE21 GLN 39 1HE2 GLN 39 -0.123 8.888 -0.491 334 HE22 GLN 39 2HE2 GLN 39 -1.226 10.214 -0.575 335 H SER 40 H SER 40 -4.535 7.619 0.266 336 HA SER 40 HA SER 40 -4.203 8.541 2.894 337 HB2 SER 40 2HB SER 40 -1.877 8.954 1.645 338 HB3 SER 40 3HB SER 40 -2.722 10.404 1.103 339 HG SER 40 HG SER 40 -1.674 9.831 3.534 340 H ILE 41 H ILE 41 -4.211 10.155 -0.289 341 HA ILE 41 HA ILE 41 -6.749 11.438 0.480 342 HB ILE 41 HB ILE 41 -4.712 12.399 -1.533 343 HG12 ILE 41 2HG1 ILE 41 -3.897 12.580 0.777 344 HG13 ILE 41 3HG1 ILE 41 -4.230 14.169 0.098 345 HG21 ILE 41 1HG2 ILE 41 -6.261 14.536 -1.004 346 HG22 ILE 41 2HG2 ILE 41 -6.549 13.426 -2.343 347 HG23 ILE 41 3HG2 ILE 41 -7.448 13.243 -0.837 348 HD11 ILE 41 3HD1 ILE 41 -6.602 13.407 1.332 349 HD12 ILE 41 1HD1 ILE 41 -5.322 12.906 2.438 350 HD13 ILE 41 2HD1 ILE 41 -5.425 14.586 1.911 351 HA PRO 42 HA PRO 42 -8.121 8.631 -2.824 352 HB2 PRO 42 2HB PRO 42 -10.714 8.625 -2.019 353 HB3 PRO 42 3HB PRO 42 -9.478 7.595 -1.286 354 HG2 PRO 42 2HG PRO 42 -10.591 10.200 -0.318 355 HG3 PRO 42 3HG PRO 42 -10.234 8.725 0.600 356 HD2 PRO 42 2HD PRO 42 -8.576 10.866 0.581 357 HD3 PRO 42 3HD PRO 42 -7.982 9.200 0.730 358 H GLU 43 H GLU 43 -8.198 9.678 -4.724 359 HA GLU 43 HA GLU 43 -10.442 11.455 -5.235 360 HB2 GLU 43 2HB GLU 43 -8.505 12.887 -4.494 361 HB3 GLU 43 3HB GLU 43 -7.631 12.326 -5.912 362 HG2 GLU 43 2HG GLU 43 -8.913 13.535 -7.360 363 HG3 GLU 43 3HG GLU 43 -10.324 13.514 -6.303 364 H ILE 44 H ILE 44 -11.139 11.418 -7.338 365 HA ILE 44 HA ILE 44 -9.506 10.166 -9.389 366 HB ILE 44 HB ILE 44 -12.130 8.981 -8.488 367 HG12 ILE 44 2HG1 ILE 44 -10.102 8.257 -7.258 368 HG13 ILE 44 3HG1 ILE 44 -10.838 6.945 -8.172 369 HG21 ILE 44 1HG2 ILE 44 -11.136 7.392 -10.520 370 HG22 ILE 44 2HG2 ILE 44 -12.503 8.499 -10.630 371 HG23 ILE 44 3HG2 ILE 44 -10.894 9.036 -11.110 372 HD11 ILE 44 3HD1 ILE 44 -8.178 7.785 -8.226 373 HD12 ILE 44 1HD1 ILE 44 -8.952 6.588 -9.265 374 HD13 ILE 44 2HD1 ILE 44 -8.869 8.276 -9.772 375 H GLY 45 H GLY 45 -9.684 11.437 -11.106 376 HA2 GLY 45 2HA GLY 45 -10.953 12.310 -12.925 377 HA3 GLY 45 3HA GLY 45 -12.341 12.439 -11.855 378 H ASN 46 H ASN 46 -12.387 14.155 -10.297 379 HA ASN 46 HA ASN 46 -10.458 16.155 -10.050 380 HB2 ASN 46 2HB ASN 46 -11.509 16.304 -12.555 381 HB3 ASN 46 3HB ASN 46 -12.594 17.379 -11.678 382 HD21 ASN 46 1HD2 ASN 46 -12.003 19.410 -11.700 383 HD22 ASN 46 2HD2 ASN 46 -10.383 20.005 -11.785 384 H ARG 47 H ARG 47 -12.111 14.853 -8.294 385 HA ARG 47 HA ARG 47 -13.439 15.236 -6.487 386 HB2 ARG 47 2HB ARG 47 -12.469 17.884 -7.258 387 HB3 ARG 47 3HB ARG 47 -14.011 17.935 -6.415 388 HG2 ARG 47 2HG ARG 47 -12.979 17.669 -4.479 389 HG3 ARG 47 3HG ARG 47 -12.295 16.140 -5.033 390 HD2 ARG 47 2HD ARG 47 -10.599 17.810 -4.295 391 HD3 ARG 47 3HD ARG 47 -10.388 17.249 -5.954 392 HE ARG 47 HE ARG 47 -10.702 19.394 -6.656 393 HH11 ARG 47 1HH1 ARG 47 -12.047 19.064 -3.462 394 HH12 ARG 47 2HH1 ARG 47 -12.424 20.748 -3.305 395 HH21 ARG 47 1HH2 ARG 47 -11.194 21.613 -6.462 396 HH22 ARG 47 2HH2 ARG 47 -11.939 22.197 -5.012 397 H LYS 48 H LYS 48 -15.388 14.367 -6.804 398 HA LYS 48 HA LYS 48 -17.449 16.032 -8.060 399 HB2 LYS 48 2HB LYS 48 -16.547 13.343 -8.914 400 HB3 LYS 48 3HB LYS 48 -18.287 13.594 -8.857 401 HG2 LYS 48 2HG LYS 48 -17.774 14.166 -11.028 402 HG3 LYS 48 3HG LYS 48 -17.773 15.735 -10.221 403 HD2 LYS 48 2HD LYS 48 -15.534 16.004 -10.458 404 HD3 LYS 48 3HD LYS 48 -15.200 14.281 -10.265 405 HE2 LYS 48 2HE LYS 48 -16.563 14.346 -12.635 406 HE3 LYS 48 3HE LYS 48 -15.655 15.856 -12.691 407 HZ1 LYS 48 3HZ LYS 48 -13.849 14.716 -13.210 408 HZ2 LYS 48 1HZ LYS 48 -14.725 13.269 -13.176 409 HZ3 LYS 48 2HZ LYS 48 -13.956 13.824 -11.776 410 H ILE 49 H ILE 49 -16.504 14.753 -5.328 411 HA ILE 49 HA ILE 49 -18.930 13.384 -4.522 412 HB ILE 49 HB ILE 49 -16.669 14.230 -2.720 413 HG12 ILE 49 2HG1 ILE 49 -16.190 11.599 -3.215 414 HG13 ILE 49 3HG1 ILE 49 -16.776 12.124 -4.789 415 HG21 ILE 49 1HG2 ILE 49 -17.828 13.199 -1.135 416 HG22 ILE 49 2HG2 ILE 49 -19.130 12.920 -2.291 417 HG23 ILE 49 3HG2 ILE 49 -17.859 11.715 -2.089 418 HD11 ILE 49 3HD1 ILE 49 -14.200 12.389 -3.738 419 HD12 ILE 49 1HD1 ILE 49 -14.823 13.045 -5.251 420 HD13 ILE 49 2HD1 ILE 49 -14.881 14.015 -3.779 421 H ASN 50 H ASN 50 -18.032 16.554 -4.867 422 HA ASN 50 HA ASN 50 -19.206 17.664 -2.504 423 HB2 ASN 50 2HB ASN 50 -17.441 18.779 -3.934 424 HB3 ASN 50 3HB ASN 50 -18.704 19.084 -5.123 425 HD21 ASN 50 1HD2 ASN 50 -18.640 21.283 -4.972 426 HD22 ASN 50 2HD2 ASN 50 -19.146 22.154 -3.568 427 H LEU 51 H LEU 51 -21.163 18.824 -2.341 428 HA LEU 51 HA LEU 51 -23.343 17.639 -3.742 429 HB2 LEU 51 2HB LEU 51 -22.954 19.302 -1.439 430 HB3 LEU 51 3HB LEU 51 -24.236 19.972 -2.446 431 HG LEU 51 HG LEU 51 -25.102 18.504 -0.681 432 HD11 LEU 51 1HD1 LEU 51 -26.125 18.740 -3.022 433 HD12 LEU 51 2HD1 LEU 51 -26.671 17.406 -2.006 434 HD13 LEU 51 3HD1 LEU 51 -25.512 17.110 -3.302 435 HD21 LEU 51 3HD2 LEU 51 -24.624 16.196 -0.573 436 HD22 LEU 51 1HD2 LEU 51 -23.062 17.004 -0.702 437 HD23 LEU 51 2HD2 LEU 51 -23.768 16.222 -2.116 438 H PHE 52 H PHE 52 -21.365 20.385 -4.287 439 HA PHE 52 HA PHE 52 -23.310 21.611 -6.094 440 HB2 PHE 52 2HB PHE 52 -21.334 22.660 -4.406 441 HB3 PHE 52 3HB PHE 52 -20.725 22.912 -6.039 442 HD1 PHE 52 HD1 PHE 52 -23.740 23.428 -3.928 443 HD2 PHE 52 HD2 PHE 52 -21.470 24.712 -7.292 444 HE1 PHE 52 HE1 PHE 52 -25.209 25.388 -4.167 445 HE2 PHE 52 HE2 PHE 52 -22.934 26.675 -7.535 446 HZ PHE 52 HZ PHE 52 -24.806 27.015 -5.971 447 H TYR 53 H TYR 53 -20.225 19.946 -6.097 448 HA TYR 53 HA TYR 53 -19.649 20.406 -8.854 449 HB2 TYR 53 2HB TYR 53 -18.059 19.705 -6.898 450 HB3 TYR 53 3HB TYR 53 -18.551 18.070 -7.327 451 HD1 TYR 53 HD1 TYR 53 -18.517 17.744 -10.055 452 HD2 TYR 53 HD2 TYR 53 -16.048 20.366 -7.790 453 HE1 TYR 53 HE1 TYR 53 -16.839 17.705 -11.852 454 HE2 TYR 53 HE2 TYR 53 -14.363 20.336 -9.582 455 HH TYR 53 HH TYR 53 -14.911 18.532 -12.590 456 H LEU 54 H LEU 54 -20.886 17.598 -7.051 457 HA LEU 54 HA LEU 54 -21.257 15.944 -9.303 458 HB2 LEU 54 2HB LEU 54 -22.223 14.436 -7.870 459 HB3 LEU 54 3HB LEU 54 -21.249 15.398 -6.760 460 HG LEU 54 HG LEU 54 -23.534 16.733 -6.517 461 HD11 LEU 54 1HD1 LEU 54 -24.255 14.248 -7.872 462 HD12 LEU 54 2HD1 LEU 54 -25.168 15.744 -7.678 463 HD13 LEU 54 3HD1 LEU 54 -25.159 14.543 -6.386 464 HD21 LEU 54 3HD2 LEU 54 -22.072 15.213 -4.901 465 HD22 LEU 54 1HD2 LEU 54 -23.479 14.159 -5.046 466 HD23 LEU 54 2HD2 LEU 54 -23.670 15.806 -4.445 467 H TYR 55 H TYR 55 -23.166 18.488 -7.916 468 HA TYR 55 HA TYR 55 -25.608 17.778 -9.244 469 HB2 TYR 55 2HB TYR 55 -25.458 19.125 -7.117 470 HB3 TYR 55 3HB TYR 55 -24.861 20.467 -8.086 471 HD1 TYR 55 HD1 TYR 55 -26.351 21.485 -9.818 472 HD2 TYR 55 HD2 TYR 55 -27.772 18.610 -7.022 473 HE1 TYR 55 HE1 TYR 55 -28.663 22.173 -10.296 474 HE2 TYR 55 HE2 TYR 55 -30.089 19.289 -7.493 475 HH TYR 55 HH TYR 55 -30.893 22.104 -9.073 476 H MET 56 H MET 56 -23.218 20.384 -9.699 477 HA MET 56 HA MET 56 -24.341 21.471 -12.017 478 HB2 MET 56 2HB MET 56 -22.509 22.456 -10.555 479 HB3 MET 56 3HB MET 56 -21.387 21.407 -11.411 480 HG2 MET 56 2HG MET 56 -22.054 22.475 -13.529 481 HG3 MET 56 3HG MET 56 -23.096 23.568 -12.621 482 HE1 MET 56 3HE MET 56 -21.003 23.955 -14.691 483 HE2 MET 56 1HE MET 56 -20.552 25.579 -14.169 484 HE3 MET 56 2HE MET 56 -19.343 24.295 -14.200 485 H LEU 57 H LEU 57 -22.044 18.833 -11.577 486 HA LEU 57 HA LEU 57 -21.304 18.479 -14.255 487 HB2 LEU 57 2HB LEU 57 -20.287 17.428 -12.185 488 HB3 LEU 57 3HB LEU 57 -21.608 16.263 -12.244 489 HG LEU 57 HG LEU 57 -20.533 16.152 -14.788 490 HD11 LEU 57 1HD1 LEU 57 -18.402 16.714 -12.767 491 HD12 LEU 57 2HD1 LEU 57 -18.567 17.314 -14.416 492 HD13 LEU 57 3HD1 LEU 57 -18.084 15.642 -14.131 493 HD21 LEU 57 3HD2 LEU 57 -19.929 14.423 -12.391 494 HD22 LEU 57 1HD2 LEU 57 -19.710 13.962 -14.079 495 HD23 LEU 57 2HD2 LEU 57 -21.330 14.273 -13.453 496 H VAL 58 H VAL 58 -23.898 16.938 -12.371 497 HA VAL 58 HA VAL 58 -24.888 15.311 -14.436 498 HB VAL 58 HB VAL 58 -26.370 16.477 -12.075 499 HG11 VAL 58 1HG1 VAL 58 -28.023 15.762 -13.585 500 HG12 VAL 58 2HG1 VAL 58 -27.097 14.335 -14.053 501 HG13 VAL 58 3HG1 VAL 58 -27.831 14.425 -12.452 502 HG21 VAL 58 3HG2 VAL 58 -25.667 13.653 -12.005 503 HG22 VAL 58 1HG2 VAL 58 -24.257 14.710 -12.076 504 HG23 VAL 58 2HG2 VAL 58 -25.442 14.905 -10.784 505 H GLN 59 H GLN 59 -25.951 18.517 -13.313 506 HA GLN 59 HA GLN 59 -28.047 18.864 -15.123 507 HB2 GLN 59 2HB GLN 59 -26.495 20.548 -13.313 508 HB3 GLN 59 3HB GLN 59 -27.043 21.412 -14.743 509 HG2 GLN 59 2HG GLN 59 -28.830 19.827 -12.913 510 HG3 GLN 59 3HG GLN 59 -28.593 21.572 -12.828 511 HE21 GLN 59 1HE2 GLN 59 -29.209 22.832 -14.701 512 HE22 GLN 59 2HE2 GLN 59 -30.514 22.290 -15.695 513 H LYS 60 H LYS 60 -24.597 19.400 -15.469 514 HA LYS 60 HA LYS 60 -24.775 20.776 -17.966 515 HB2 LYS 60 2HB LYS 60 -22.834 21.060 -16.521 516 HB3 LYS 60 3HB LYS 60 -22.457 19.347 -16.652 517 HG2 LYS 60 2HG LYS 60 -21.127 19.865 -18.346 518 HG3 LYS 60 3HG LYS 60 -22.576 20.240 -19.281 519 HD2 LYS 60 2HD LYS 60 -21.428 22.216 -19.482 520 HD3 LYS 60 3HD LYS 60 -22.384 22.550 -18.036 521 HE2 LYS 60 2HE LYS 60 -20.518 22.038 -16.616 522 HE3 LYS 60 3HE LYS 60 -19.567 21.477 -17.990 523 HZ1 LYS 60 3HZ LYS 60 -20.018 23.894 -18.830 524 HZ2 LYS 60 1HZ LYS 60 -18.763 23.583 -17.738 525 HZ3 LYS 60 2HZ LYS 60 -20.230 24.216 -17.183 526 H PHE 61 H PHE 61 -24.439 17.425 -16.987 527 HA PHE 61 HA PHE 61 -23.851 16.451 -19.616 528 HB2 PHE 61 2HB PHE 61 -23.902 15.390 -16.977 529 HB3 PHE 61 3HB PHE 61 -24.959 14.395 -17.973 530 HD1 PHE 61 HD1 PHE 61 -21.522 15.681 -17.617 531 HD2 PHE 61 HD2 PHE 61 -24.084 12.918 -19.597 532 HE1 PHE 61 HE1 PHE 61 -19.556 14.515 -18.528 533 HE2 PHE 61 HE2 PHE 61 -22.122 11.748 -20.511 534 HZ PHE 61 HZ PHE 61 -19.854 12.545 -19.976 535 H GLY 62 H GLY 62 -26.636 17.616 -18.183 536 HA2 GLY 62 2HA GLY 62 -28.648 17.866 -19.439 537 HA3 GLY 62 3HA GLY 62 -28.268 16.373 -20.285 538 H GLY 63 H GLY 63 -27.918 16.518 -16.837 539 HA2 GLY 63 2HA GLY 63 -29.307 15.765 -15.127 540 HA3 GLY 63 3HA GLY 63 -30.570 15.477 -16.314 541 H ALA 64 H ALA 64 -29.787 13.737 -14.164 542 HA ALA 64 HA ALA 64 -28.108 11.652 -14.830 543 HB1 ALA 64 1HB ALA 64 -30.544 11.865 -13.130 544 HB2 ALA 64 2HB ALA 64 -29.870 10.268 -13.457 545 HB3 ALA 64 3HB ALA 64 -28.878 11.501 -12.678 546 H ASP 65 H ASP 65 -31.349 12.322 -15.967 547 HA ASP 65 HA ASP 65 -31.933 9.808 -17.086 548 HB2 ASP 65 2HB ASP 65 -32.924 12.596 -17.564 549 HB3 ASP 65 3HB ASP 65 -33.412 11.301 -18.653 550 H GLN 66 H GLN 66 -30.195 12.603 -18.335 551 HA GLN 66 HA GLN 66 -29.981 11.664 -21.007 552 HB2 GLN 66 2HB GLN 66 -29.702 14.029 -20.427 553 HB3 GLN 66 3HB GLN 66 -28.257 13.641 -19.503 554 HG2 GLN 66 2HG GLN 66 -26.965 13.464 -21.335 555 HG3 GLN 66 3HG GLN 66 -28.254 12.758 -22.309 556 HE21 GLN 66 1HE2 GLN 66 -30.192 14.554 -22.334 557 HE22 GLN 66 2HE2 GLN 66 -29.664 16.056 -23.003 558 H VAL 67 H VAL 67 -27.973 11.336 -18.133 559 HA VAL 67 HA VAL 67 -25.731 10.178 -19.417 560 HB VAL 67 HB VAL 67 -26.598 9.781 -16.551 561 HG11 VAL 67 1HG1 VAL 67 -24.844 8.247 -17.368 562 HG12 VAL 67 2HG1 VAL 67 -23.857 9.644 -17.804 563 HG13 VAL 67 3HG1 VAL 67 -24.262 9.341 -16.114 564 HG21 VAL 67 3HG2 VAL 67 -25.051 12.005 -17.861 565 HG22 VAL 67 1HG2 VAL 67 -26.509 12.120 -16.874 566 HG23 VAL 67 2HG2 VAL 67 -24.972 11.678 -16.130 567 H THR 68 H THR 68 -28.686 8.852 -18.056 568 HA THR 68 HA THR 68 -27.805 6.115 -18.410 569 HB THR 68 HB THR 68 -29.255 6.664 -16.511 570 HG1 THR 68 HG1 THR 68 -29.375 4.565 -17.603 571 HG21 THR 68 3HG2 THR 68 -31.371 7.259 -18.582 572 HG22 THR 68 1HG2 THR 68 -30.543 8.469 -17.603 573 HG23 THR 68 2HG2 THR 68 -31.584 7.272 -16.832 574 H ARG 69 H ARG 69 -29.687 8.487 -20.122 575 HA ARG 69 HA ARG 69 -31.193 6.859 -21.806 576 HB2 ARG 69 2HB ARG 69 -31.477 9.300 -21.638 577 HB3 ARG 69 3HB ARG 69 -29.934 9.532 -22.449 578 HG2 ARG 69 2HG ARG 69 -31.804 7.842 -23.926 579 HG3 ARG 69 3HG ARG 69 -32.369 9.494 -23.668 580 HD2 ARG 69 2HD ARG 69 -29.852 10.011 -24.410 581 HD3 ARG 69 3HD ARG 69 -30.088 8.486 -25.263 582 HE ARG 69 HE ARG 69 -31.299 11.019 -25.873 583 HH11 ARG 69 1HH1 ARG 69 -31.598 7.562 -26.157 584 HH12 ARG 69 2HH1 ARG 69 -32.613 7.634 -27.559 585 HH21 ARG 69 1HH2 ARG 69 -32.634 11.127 -27.720 586 HH22 ARG 69 2HH2 ARG 69 -33.200 9.662 -28.448 587 H THR 70 H THR 70 -27.871 8.031 -22.149 588 HA THR 70 HA THR 70 -27.553 6.457 -24.596 589 HB THR 70 HB THR 70 -25.162 7.582 -24.399 590 HG1 THR 70 HG1 THR 70 -25.121 9.372 -23.178 591 HG21 THR 70 3HG2 THR 70 -26.309 9.695 -25.469 592 HG22 THR 70 1HG2 THR 70 -27.749 8.682 -25.399 593 HG23 THR 70 2HG2 THR 70 -26.333 8.140 -26.300 594 H GLN 71 H GLN 71 -27.325 5.908 -21.391 595 HA GLN 71 HA GLN 71 -26.319 4.325 -20.105 596 HB2 GLN 71 2HB GLN 71 -26.961 2.966 -22.200 597 HB3 GLN 71 3HB GLN 71 -25.255 3.058 -22.616 598 HG2 GLN 71 2HG GLN 71 -24.676 1.526 -21.099 599 HG3 GLN 71 3HG GLN 71 -25.760 2.185 -19.876 600 HE21 GLN 71 1HE2 GLN 71 -27.553 1.101 -19.416 601 HE22 GLN 71 2HE2 GLN 71 -28.188 -0.221 -20.329 602 H GLN 72 H GLN 72 -24.914 6.606 -20.229 603 HA GLN 72 HA GLN 72 -22.119 5.788 -20.648 604 HB2 GLN 72 2HB GLN 72 -23.174 7.870 -21.811 605 HB3 GLN 72 3HB GLN 72 -22.975 8.633 -20.239 606 HG2 GLN 72 2HG GLN 72 -21.036 9.238 -21.298 607 HG3 GLN 72 3HG GLN 72 -20.528 7.788 -20.433 608 HE21 GLN 72 1HE2 GLN 72 -19.036 6.891 -21.685 609 HE22 GLN 72 2HE2 GLN 72 -19.229 6.504 -23.357 610 H TRP 73 H TRP 73 -24.335 5.977 -18.266 611 HA TRP 73 HA TRP 73 -23.115 7.380 -16.186 612 HB2 TRP 73 2HB TRP 73 -25.384 6.625 -15.949 613 HB3 TRP 73 3HB TRP 73 -24.900 4.942 -16.135 614 HD1 TRP 73 HD1 TRP 73 -23.866 7.784 -13.679 615 HE1 TRP 73 HE1 TRP 73 -23.843 6.793 -11.304 616 HE3 TRP 73 HE3 TRP 73 -25.253 2.989 -14.786 617 HZ2 TRP 73 HZ2 TRP 73 -24.346 4.307 -10.064 618 HZ3 TRP 73 HZ3 TRP 73 -25.458 1.367 -12.948 619 HH2 TRP 73 HH2 TRP 73 -25.013 2.014 -10.636 620 H SER 74 H SER 74 -22.541 4.144 -17.415 621 HA SER 74 HA SER 74 -20.978 3.173 -15.288 622 HB2 SER 74 2HB SER 74 -20.185 1.488 -16.870 623 HB3 SER 74 3HB SER 74 -21.919 1.735 -17.071 624 HG SER 74 HG SER 74 -19.802 2.515 -18.744 625 H MET 75 H MET 75 -20.075 4.843 -18.287 626 HA MET 75 HA MET 75 -17.278 4.809 -17.726 627 HB2 MET 75 2HB MET 75 -18.679 5.213 -19.975 628 HB3 MET 75 3HB MET 75 -18.400 6.890 -19.524 629 HG2 MET 75 2HG MET 75 -16.102 5.002 -19.541 630 HG3 MET 75 3HG MET 75 -16.729 5.607 -21.073 631 HE1 MET 75 3HE MET 75 -13.585 7.166 -18.738 632 HE2 MET 75 1HE MET 75 -14.093 5.627 -19.435 633 HE3 MET 75 2HE MET 75 -13.475 6.907 -20.479 634 H VAL 76 H VAL 76 -19.807 7.294 -17.476 635 HA VAL 76 HA VAL 76 -18.182 9.384 -16.565 636 HB VAL 76 HB VAL 76 -21.080 8.907 -15.856 637 HG11 VAL 76 1HG1 VAL 76 -19.917 10.626 -14.508 638 HG12 VAL 76 2HG1 VAL 76 -19.519 11.483 -15.999 639 HG13 VAL 76 3HG1 VAL 76 -21.204 11.290 -15.514 640 HG21 VAL 76 3HG2 VAL 76 -19.881 9.359 -18.386 641 HG22 VAL 76 1HG2 VAL 76 -21.596 9.286 -17.982 642 HG23 VAL 76 2HG2 VAL 76 -20.741 10.828 -17.926 643 H ALA 77 H ALA 77 -20.023 6.947 -14.753 644 HA ALA 77 HA ALA 77 -19.528 7.855 -12.176 645 HB1 ALA 77 1HB ALA 77 -21.105 6.158 -12.338 646 HB2 ALA 77 2HB ALA 77 -20.045 5.130 -13.305 647 HB3 ALA 77 3HB ALA 77 -19.728 5.353 -11.585 648 H GLN 78 H GLN 78 -17.522 5.882 -14.300 649 HA GLN 78 HA GLN 78 -15.577 5.148 -12.400 650 HB2 GLN 78 2HB GLN 78 -15.673 3.965 -14.476 651 HB3 GLN 78 3HB GLN 78 -15.446 5.444 -15.400 652 HG2 GLN 78 2HG GLN 78 -13.195 5.543 -14.952 653 HG3 GLN 78 3HG GLN 78 -13.338 4.584 -13.479 654 HE21 GLN 78 1HE2 GLN 78 -13.821 4.309 -16.981 655 HE22 GLN 78 2HE2 GLN 78 -13.212 2.698 -17.112 656 H ARG 79 H ARG 79 -16.019 8.026 -14.340 657 HA ARG 79 HA ARG 79 -13.476 9.154 -14.118 658 HB2 ARG 79 2HB ARG 79 -15.896 9.918 -15.208 659 HB3 ARG 79 3HB ARG 79 -15.647 11.102 -13.932 660 HG2 ARG 79 2HG ARG 79 -13.676 11.899 -14.892 661 HG3 ARG 79 3HG ARG 79 -13.493 10.473 -15.915 662 HD2 ARG 79 2HD ARG 79 -16.003 11.715 -16.475 663 HD3 ARG 79 3HD ARG 79 -14.731 12.934 -16.543 664 HE ARG 79 HE ARG 79 -13.727 10.853 -17.979 665 HH11 ARG 79 1HH1 ARG 79 -16.667 12.712 -18.112 666 HH12 ARG 79 2HH1 ARG 79 -16.859 12.530 -19.824 667 HH21 ARG 79 1HH2 ARG 79 -13.968 10.606 -20.233 668 HH22 ARG 79 2HH2 ARG 79 -15.323 11.331 -21.030 669 H LEU 80 H LEU 80 -16.262 9.345 -11.941 670 HA LEU 80 HA LEU 80 -14.658 10.846 -10.007 671 HB2 LEU 80 2HB LEU 80 -16.895 10.885 -8.759 672 HB3 LEU 80 3HB LEU 80 -16.736 11.852 -10.224 673 HG LEU 80 HG LEU 80 -17.881 9.127 -10.502 674 HD11 LEU 80 1HD1 LEU 80 -20.036 9.733 -9.748 675 HD12 LEU 80 2HD1 LEU 80 -19.560 11.414 -9.506 676 HD13 LEU 80 3HD1 LEU 80 -18.922 10.156 -8.447 677 HD21 LEU 80 3HD2 LEU 80 -17.453 10.890 -12.331 678 HD22 LEU 80 1HD2 LEU 80 -18.874 11.700 -11.672 679 HD23 LEU 80 2HD2 LEU 80 -19.010 10.061 -12.309 680 H GLN 81 H GLN 81 -15.273 7.696 -10.759 681 HA GLN 81 HA GLN 81 -14.930 5.721 -9.684 682 HB2 GLN 81 2HB GLN 81 -12.913 6.974 -8.841 683 HB3 GLN 81 3HB GLN 81 -13.841 7.368 -7.400 684 HG2 GLN 81 2HG GLN 81 -14.146 4.666 -7.532 685 HG3 GLN 81 3HG GLN 81 -12.515 4.880 -8.166 686 HE21 GLN 81 1HE2 GLN 81 -11.352 4.135 -6.484 687 HE22 GLN 81 2HE2 GLN 81 -11.360 4.834 -4.905 688 H ILE 82 H ILE 82 -17.470 6.603 -9.568 689 HA ILE 82 HA ILE 82 -18.340 6.273 -6.783 690 HB ILE 82 HB ILE 82 -19.217 8.236 -8.005 691 HG12 ILE 82 2HG1 ILE 82 -20.522 6.684 -6.266 692 HG13 ILE 82 3HG1 ILE 82 -21.264 8.106 -6.991 693 HG21 ILE 82 1HG2 ILE 82 -20.410 6.132 -9.797 694 HG22 ILE 82 2HG2 ILE 82 -20.962 7.806 -9.754 695 HG23 ILE 82 3HG2 ILE 82 -19.310 7.435 -10.244 696 HD11 ILE 82 3HD1 ILE 82 -21.546 5.436 -8.294 697 HD12 ILE 82 1HD1 ILE 82 -22.566 5.880 -6.925 698 HD13 ILE 82 2HD1 ILE 82 -22.593 6.851 -8.398 699 H SER 83 H SER 83 -18.367 4.762 -9.903 700 HA SER 83 HA SER 83 -19.583 2.388 -8.728 701 HB2 SER 83 2HB SER 83 -21.363 3.849 -9.888 702 HB3 SER 83 3HB SER 83 -20.586 3.365 -11.395 703 HG SER 83 HG SER 83 -21.844 1.688 -11.219 704 H ASP 84 H ASP 84 -17.078 2.233 -9.042 705 HA ASP 84 HA ASP 84 -16.332 1.458 -11.746 706 HB2 ASP 84 2HB ASP 84 -14.862 1.998 -9.207 707 HB3 ASP 84 3HB ASP 84 -14.106 0.936 -10.392 708 H TYR 85 H TYR 85 -18.167 -0.263 -11.238 709 HA TYR 85 HA TYR 85 -18.618 -2.496 -11.214 710 HB2 TYR 85 2HB TYR 85 -15.709 -3.055 -10.676 711 HB3 TYR 85 3HB TYR 85 -16.883 -4.067 -11.510 712 HD1 TYR 85 HD1 TYR 85 -17.971 -2.786 -13.646 713 HD2 TYR 85 HD2 TYR 85 -14.113 -2.065 -12.003 714 HE1 TYR 85 HE1 TYR 85 -17.228 -1.874 -15.806 715 HE2 TYR 85 HE2 TYR 85 -13.360 -1.150 -14.158 716 HH TYR 85 HH TYR 85 -15.158 -1.500 -17.032 717 H GLN 86 H GLN 86 -16.731 -4.277 -9.525 718 HA GLN 86 HA GLN 86 -18.291 -4.537 -7.276 719 HB2 GLN 86 2HB GLN 86 -16.487 -5.828 -6.303 720 HB3 GLN 86 3HB GLN 86 -16.604 -6.185 -8.020 721 HG2 GLN 86 2HG GLN 86 -14.782 -4.308 -8.210 722 HG3 GLN 86 3HG GLN 86 -14.488 -4.731 -6.524 723 HE21 GLN 86 1HE2 GLN 86 -12.471 -5.103 -8.210 724 HE22 GLN 86 2HE2 GLN 86 -12.234 -6.780 -8.551 725 H GLN 87 H GLN 87 -15.594 -2.368 -7.829 726 HA GLN 87 HA GLN 87 -15.049 -1.567 -5.225 727 HB2 GLN 87 2HB GLN 87 -14.853 -0.155 -7.870 728 HB3 GLN 87 3HB GLN 87 -14.430 0.667 -6.374 729 HG2 GLN 87 2HG GLN 87 -13.204 -1.979 -6.780 730 HG3 GLN 87 3HG GLN 87 -12.682 -0.703 -7.879 731 HE21 GLN 87 1HE2 GLN 87 -11.802 -2.209 -5.206 732 HE22 GLN 87 2HE2 GLN 87 -11.007 -0.936 -4.350 733 H LEU 88 H LEU 88 -17.711 -0.756 -7.315 734 HA LEU 88 HA LEU 88 -18.643 1.586 -6.174 735 HB2 LEU 88 2HB LEU 88 -20.631 1.199 -7.265 736 HB3 LEU 88 3HB LEU 88 -19.504 0.211 -8.192 737 HG LEU 88 HG LEU 88 -20.359 -1.656 -6.497 738 HD11 LEU 88 1HD1 LEU 88 -23.023 -0.766 -6.766 739 HD12 LEU 88 2HD1 LEU 88 -22.112 0.538 -6.006 740 HD13 LEU 88 3HD1 LEU 88 -22.117 -1.071 -5.284 741 HD21 LEU 88 3HD2 LEU 88 -22.313 -1.129 -8.633 742 HD22 LEU 88 1HD2 LEU 88 -21.326 -2.557 -8.318 743 HD23 LEU 88 2HD2 LEU 88 -20.624 -1.164 -9.142 744 H GLU 89 H GLU 89 -18.732 -1.662 -4.945 745 HA GLU 89 HA GLU 89 -20.762 -1.286 -3.001 746 HB2 GLU 89 2HB GLU 89 -19.208 -3.420 -3.908 747 HB3 GLU 89 3HB GLU 89 -18.749 -3.226 -2.222 748 HG2 GLU 89 2HG GLU 89 -20.495 -4.631 -1.942 749 HG3 GLU 89 3HG GLU 89 -21.378 -3.106 -1.913 750 H SER 90 H SER 90 -17.233 -1.016 -2.904 751 HA SER 90 HA SER 90 -17.067 -0.463 -0.127 752 HB2 SER 90 2HB SER 90 -15.253 -0.833 -2.271 753 HB3 SER 90 3HB SER 90 -14.885 0.737 -1.557 754 HG SER 90 HG SER 90 -14.176 -1.601 -0.644 755 H ILE 91 H ILE 91 -17.163 1.599 -3.006 756 HA ILE 91 HA ILE 91 -16.842 4.054 -1.644 757 HB ILE 91 HB ILE 91 -18.220 3.551 -4.284 758 HG12 ILE 91 2HG1 ILE 91 -15.549 4.686 -4.389 759 HG13 ILE 91 3HG1 ILE 91 -15.551 3.118 -3.588 760 HG21 ILE 91 1HG2 ILE 91 -17.734 5.950 -2.730 761 HG22 ILE 91 2HG2 ILE 91 -17.019 6.043 -4.339 762 HG23 ILE 91 3HG2 ILE 91 -18.742 5.714 -4.158 763 HD11 ILE 91 3HD1 ILE 91 -15.658 3.703 -6.358 764 HD12 ILE 91 1HD1 ILE 91 -15.609 2.131 -5.560 765 HD13 ILE 91 2HD1 ILE 91 -17.160 2.900 -5.901 766 H TYR 92 H TYR 92 -19.708 2.236 -2.652 767 HA TYR 92 HA TYR 92 -21.611 4.167 -1.868 768 HB2 TYR 92 2HB TYR 92 -21.995 2.165 -3.378 769 HB3 TYR 92 3HB TYR 92 -22.053 1.180 -1.921 770 HD1 TYR 92 HD2 TYR 92 -23.777 3.760 -3.878 771 HD2 TYR 92 HD1 TYR 92 -23.948 1.284 -0.423 772 HE1 TYR 92 HE2 TYR 92 -26.168 4.282 -3.630 773 HE2 TYR 92 HE1 TYR 92 -26.340 1.798 -0.166 774 HH TYR 92 HH TYR 92 -28.255 2.579 -1.944 775 H PHE 93 H PHE 93 -20.159 1.422 -0.176 776 HA PHE 93 HA PHE 93 -21.742 1.576 2.151 777 HB2 PHE 93 2HB PHE 93 -20.263 -0.353 1.452 778 HB3 PHE 93 3HB PHE 93 -18.889 0.594 2.012 779 HD1 PHE 93 HD2 PHE 93 -22.121 -0.844 3.142 780 HD2 PHE 93 HD1 PHE 93 -18.240 0.516 4.238 781 HE1 PHE 93 HE2 PHE 93 -22.471 -1.695 5.423 782 HE2 PHE 93 HE1 PHE 93 -18.583 -0.334 6.521 783 HZ PHE 93 HZ PHE 93 -20.701 -1.440 7.117 784 H ARG 94 H ARG 94 -18.505 2.871 1.440 785 HA ARG 94 HA ARG 94 -18.152 4.149 3.929 786 HB2 ARG 94 2HB ARG 94 -16.848 4.268 1.262 787 HB3 ARG 94 3HB ARG 94 -16.573 5.627 2.345 788 HG2 ARG 94 2HG ARG 94 -15.009 4.465 3.387 789 HG3 ARG 94 3HG ARG 94 -16.217 3.266 3.855 790 HD2 ARG 94 2HD ARG 94 -14.278 2.314 2.625 791 HD3 ARG 94 3HD ARG 94 -15.832 2.009 1.851 792 HE ARG 94 HE ARG 94 -14.908 4.293 0.670 793 HH11 ARG 94 1HH1 ARG 94 -13.684 1.062 1.098 794 HH12 ARG 94 2HH1 ARG 94 -12.764 1.076 -0.370 795 HH21 ARG 94 1HH2 ARG 94 -13.701 4.324 -1.265 796 HH22 ARG 94 2HH2 ARG 94 -12.774 2.933 -1.713 797 H ILE 95 H ILE 95 -19.800 5.081 1.008 798 HA ILE 95 HA ILE 95 -20.014 7.863 1.720 799 HB ILE 95 HB ILE 95 -21.231 6.187 -0.457 800 HG12 ILE 95 2HG1 ILE 95 -19.512 8.666 -0.616 801 HG13 ILE 95 3HG1 ILE 95 -18.849 7.036 -0.574 802 HG21 ILE 95 1HG2 ILE 95 -22.152 8.414 -1.302 803 HG22 ILE 95 2HG2 ILE 95 -23.012 7.630 0.022 804 HG23 ILE 95 3HG2 ILE 95 -21.938 8.989 0.352 805 HD11 ILE 95 3HD1 ILE 95 -20.586 8.259 -2.696 806 HD12 ILE 95 1HD1 ILE 95 -18.912 7.723 -2.837 807 HD13 ILE 95 2HD1 ILE 95 -20.202 6.539 -2.620 808 H LEU 96 H LEU 96 -21.850 4.966 2.238 809 HA LEU 96 HA LEU 96 -24.241 6.397 3.045 810 HB2 LEU 96 2HB LEU 96 -25.308 4.433 2.865 811 HB3 LEU 96 3HB LEU 96 -23.871 3.957 1.962 812 HG LEU 96 HG LEU 96 -23.037 3.197 4.345 813 HD11 LEU 96 1HD1 LEU 96 -24.537 3.105 5.977 814 HD12 LEU 96 2HD1 LEU 96 -25.704 2.288 4.938 815 HD13 LEU 96 3HD1 LEU 96 -25.621 4.049 4.955 816 HD21 LEU 96 3HD2 LEU 96 -23.415 1.064 3.649 817 HD22 LEU 96 1HD2 LEU 96 -23.770 1.911 2.143 818 HD23 LEU 96 2HD2 LEU 96 -25.088 1.389 3.193 819 H LEU 97 H LEU 97 -21.353 5.266 4.470 820 HA LEU 97 HA LEU 97 -21.945 4.516 7.009 821 HB2 LEU 97 2HB LEU 97 -19.707 5.657 5.675 822 HB3 LEU 97 3HB LEU 97 -19.880 6.450 7.239 823 HG LEU 97 HG LEU 97 -20.121 3.788 7.881 824 HD11 LEU 97 1HD1 LEU 97 -19.435 3.285 5.511 825 HD12 LEU 97 2HD1 LEU 97 -18.429 2.564 6.767 826 HD13 LEU 97 3HD1 LEU 97 -17.866 3.993 5.900 827 HD21 LEU 97 3HD2 LEU 97 -17.958 4.050 8.897 828 HD22 LEU 97 1HD2 LEU 97 -18.840 5.571 9.036 829 HD23 LEU 97 2HD2 LEU 97 -17.570 5.396 7.824 830 HA PRO 98 HA PRO 98 -24.018 7.759 9.119 831 HB2 PRO 98 2HB PRO 98 -23.026 7.484 11.632 832 HB3 PRO 98 3HB PRO 98 -24.167 6.338 10.918 833 HG2 PRO 98 2HG PRO 98 -21.191 6.138 11.174 834 HG3 PRO 98 3HG PRO 98 -22.424 4.895 11.455 835 HD2 PRO 98 2HD PRO 98 -20.972 5.018 9.172 836 HD3 PRO 98 3HD PRO 98 -22.646 4.430 9.208 837 H TYR 99 H TYR 99 -20.516 7.592 9.643 838 HA TYR 99 HA TYR 99 -20.254 10.246 10.620 839 HB2 TYR 99 2HB TYR 99 -18.559 8.007 10.221 840 HB3 TYR 99 3HB TYR 99 -17.835 9.365 9.365 841 HD1 TYR 99 HD2 TYR 99 -17.306 11.464 10.629 842 HD2 TYR 99 HD1 TYR 99 -18.513 7.884 12.587 843 HE1 TYR 99 HE2 TYR 99 -16.411 12.330 12.750 844 HE2 TYR 99 HE1 TYR 99 -17.622 8.741 14.714 845 HH TYR 99 HH TYR 99 -16.294 10.337 15.645 846 H GLU 100 H GLU 100 -19.793 8.772 7.428 847 HA GLU 100 HA GLU 100 -18.928 11.127 6.128 848 HB2 GLU 100 2HB GLU 100 -18.685 8.743 5.299 849 HB3 GLU 100 3HB GLU 100 -20.377 8.821 4.830 850 HG2 GLU 100 2HG GLU 100 -18.313 10.768 3.846 851 HG3 GLU 100 3HG GLU 100 -18.704 9.267 3.010 852 H ARG 101 H ARG 101 -22.117 9.566 6.322 853 HA ARG 101 HA ARG 101 -23.491 11.468 4.766 854 HB2 ARG 101 2HB ARG 101 -25.503 10.464 5.571 855 HB3 ARG 101 3HB ARG 101 -24.318 9.178 5.385 856 HG2 ARG 101 2HG ARG 101 -23.881 9.249 7.799 857 HG3 ARG 101 3HG ARG 101 -25.106 10.508 7.969 858 HD2 ARG 101 2HD ARG 101 -26.512 8.628 6.635 859 HD3 ARG 101 3HD ARG 101 -25.406 7.606 7.553 860 HE ARG 101 HE ARG 101 -26.438 9.445 9.340 861 HH11 ARG 101 1HH1 ARG 101 -27.653 6.917 7.278 862 HH12 ARG 101 2HH1 ARG 101 -28.995 6.543 8.308 863 HH21 ARG 101 1HH2 ARG 101 -28.201 8.961 10.705 864 HH22 ARG 101 2HH2 ARG 101 -29.306 7.707 10.257 865 H HIS 102 H HIS 102 -22.721 11.321 8.191 866 HA HIS 102 HA HIS 102 -24.410 13.441 9.015 867 HB2 HIS 102 2HB HIS 102 -22.088 11.986 10.196 868 HB3 HIS 102 3HB HIS 102 -22.565 13.518 10.922 869 HD1 HIS 102 HD1 HIS 102 -22.831 10.710 12.328 870 HD2 HIS 102 HD2 HIS 102 -25.889 12.764 10.408 871 HE1 HIS 102 HE1 HIS 102 -24.963 9.835 13.333 872 H MET 103 H MET 103 -20.967 13.318 8.146 873 HA MET 103 HA MET 103 -20.362 16.003 8.626 874 HB2 MET 103 2HB MET 103 -19.152 13.782 7.117 875 HB3 MET 103 3HB MET 103 -18.713 15.385 6.544 876 HG2 MET 103 2HG MET 103 -17.110 14.525 8.166 877 HG3 MET 103 3HG MET 103 -17.909 15.986 8.744 878 HE1 MET 103 3HE MET 103 -16.501 14.389 11.181 879 HE2 MET 103 1HE MET 103 -17.394 15.900 11.005 880 HE3 MET 103 2HE MET 103 -17.900 14.713 12.206 881 H ILE 104 H ILE 104 -21.534 14.405 5.685 882 HA ILE 104 HA ILE 104 -21.559 16.827 4.150 883 HB ILE 104 HB ILE 104 -22.643 15.544 2.417 884 HG12 ILE 104 2HG1 ILE 104 -22.922 13.360 4.494 885 HG13 ILE 104 3HG1 ILE 104 -24.239 14.317 3.825 886 HG21 ILE 104 1HG2 ILE 104 -20.798 13.479 3.440 887 HG22 ILE 104 2HG2 ILE 104 -20.825 14.310 1.885 888 HG23 ILE 104 3HG2 ILE 104 -20.149 15.113 3.302 889 HD11 ILE 104 3HD1 ILE 104 -22.673 12.115 2.593 890 HD12 ILE 104 1HD1 ILE 104 -24.411 12.415 2.580 891 HD13 ILE 104 2HD1 ILE 104 -23.343 13.371 1.552 892 H SER 105 H SER 105 -23.756 15.227 6.286 893 HA SER 105 HA SER 105 -26.190 16.286 5.351 894 HB2 SER 105 2HB SER 105 -26.313 14.483 6.893 895 HB3 SER 105 3HB SER 105 -25.299 15.320 8.068 896 HG SER 105 HG SER 105 -27.655 15.311 8.450 897 H GLN 106 H GLN 106 -23.685 17.595 7.415 898 HA GLN 106 HA GLN 106 -25.048 19.719 8.583 899 HB2 GLN 106 2HB GLN 106 -22.176 19.345 7.780 900 HB3 GLN 106 3HB GLN 106 -22.725 20.846 8.514 901 HG2 GLN 106 2HG GLN 106 -23.486 19.618 10.476 902 HG3 GLN 106 3HG GLN 106 -22.956 18.106 9.739 903 HE21 GLN 106 1HE2 GLN 106 -21.680 21.332 10.489 904 HE22 GLN 106 2HE2 GLN 106 -20.142 20.780 11.050 905 H GLU 107 H GLU 107 -23.589 19.437 5.389 906 HA GLU 107 HA GLU 107 -24.640 22.108 4.727 907 HB2 GLU 107 2HB GLU 107 -22.102 21.472 4.500 908 HB3 GLU 107 3HB GLU 107 -22.633 20.691 3.017 909 HG2 GLU 107 2HG GLU 107 -23.217 22.683 2.015 910 HG3 GLU 107 3HG GLU 107 -23.386 23.527 3.553 911 H GLY 108 H GLY 108 -26.006 19.421 4.729 912 HA2 GLY 108 2HA GLY 108 -27.546 19.788 2.391 913 HA3 GLY 108 3HA GLY 108 -26.406 18.476 2.130 914 H ILE 109 H ILE 109 -28.418 19.501 4.890 915 HA ILE 109 HA ILE 109 -28.915 16.944 5.866 916 HB ILE 109 HB ILE 109 -30.970 17.980 6.927 917 HG12 ILE 109 2HG1 ILE 109 -29.890 20.588 5.888 918 HG13 ILE 109 3HG1 ILE 109 -31.119 19.699 4.996 919 HG21 ILE 109 1HG2 ILE 109 -28.673 17.903 7.929 920 HG22 ILE 109 2HG2 ILE 109 -28.430 19.544 7.333 921 HG23 ILE 109 3HG2 ILE 109 -29.695 19.215 8.516 922 HD11 ILE 109 3HD1 ILE 109 -32.711 20.497 6.302 923 HD12 ILE 109 1HD1 ILE 109 -31.878 19.929 7.749 924 HD13 ILE 109 2HD1 ILE 109 -31.499 21.516 7.079 925 H LYS 110 H LYS 110 -30.316 18.614 3.185 926 HA LYS 110 HA LYS 110 -32.777 17.325 2.950 927 HB2 LYS 110 2HB LYS 110 -30.931 18.276 0.751 928 HB3 LYS 110 3HB LYS 110 -32.631 17.876 0.544 929 HG2 LYS 110 2HG LYS 110 -31.594 20.053 2.346 930 HG3 LYS 110 3HG LYS 110 -32.202 20.300 0.707 931 HD2 LYS 110 2HD LYS 110 -34.381 19.444 1.366 932 HD3 LYS 110 3HD LYS 110 -33.780 19.116 2.993 933 HE2 LYS 110 2HE LYS 110 -34.504 21.156 3.529 934 HE3 LYS 110 3HE LYS 110 -33.147 21.774 2.589 935 HZ1 LYS 110 3HZ LYS 110 -35.438 21.095 0.990 936 HZ2 LYS 110 1HZ LYS 110 -34.500 22.503 0.993 937 HZ3 LYS 110 2HZ LYS 110 -35.752 22.318 2.116 938 H GLU 111 H GLU 111 -29.567 16.172 2.359 939 HA GLU 111 HA GLU 111 -30.323 13.958 0.706 940 HB2 GLU 111 2HB GLU 111 -27.889 15.140 1.645 941 HB3 GLU 111 3HB GLU 111 -27.855 13.417 1.990 942 HG2 GLU 111 2HG GLU 111 -26.856 13.852 -0.156 943 HG3 GLU 111 3HG GLU 111 -28.353 12.945 -0.362 944 H THR 112 H THR 112 -30.150 14.564 4.107 945 HA THR 112 HA THR 112 -29.929 11.906 5.031 946 HB THR 112 HB THR 112 -31.326 14.190 6.434 947 HG1 THR 112 HG1 THR 112 -29.348 15.005 6.201 948 HG21 THR 112 3HG2 THR 112 -30.608 11.460 7.172 949 HG22 THR 112 1HG2 THR 112 -31.718 12.586 7.952 950 HG23 THR 112 2HG2 THR 112 -29.990 12.667 8.299 951 H GLN 113 H GLN 113 -32.774 13.988 4.536 952 HA GLN 113 HA GLN 113 -34.699 12.105 5.321 953 HB2 GLN 113 2HB GLN 113 -34.682 14.673 3.881 954 HB3 GLN 113 3HB GLN 113 -36.032 13.619 3.484 955 HG2 GLN 113 2HG GLN 113 -36.234 13.414 6.087 956 HG3 GLN 113 3HG GLN 113 -35.349 14.938 6.059 957 HE21 GLN 113 1HE2 GLN 113 -37.832 14.884 7.118 958 HE22 GLN 113 2HE2 GLN 113 -38.948 15.704 6.084 959 H ALA 114 H ALA 114 -32.834 12.387 2.444 960 HA ALA 114 HA ALA 114 -34.542 11.020 0.652 961 HB1 ALA 114 1HB ALA 114 -32.414 12.419 0.183 962 HB2 ALA 114 2HB ALA 114 -31.560 10.896 0.438 963 HB3 ALA 114 3HB ALA 114 -32.770 11.026 -0.839 964 H LYS 115 H LYS 115 -32.415 9.954 3.173 965 HA LYS 115 HA LYS 115 -32.345 7.210 2.246 966 HB2 LYS 115 2HB LYS 115 -30.633 8.668 3.761 967 HB3 LYS 115 3HB LYS 115 -31.529 7.828 5.019 968 HG2 LYS 115 2HG LYS 115 -30.495 6.235 2.736 969 HG3 LYS 115 3HG LYS 115 -29.349 6.808 3.951 970 HD2 LYS 115 2HD LYS 115 -30.003 5.238 5.387 971 HD3 LYS 115 3HD LYS 115 -31.693 5.718 5.217 972 HE2 LYS 115 2HE LYS 115 -32.094 4.185 3.537 973 HE3 LYS 115 3HE LYS 115 -30.396 4.093 3.072 974 HZ1 LYS 115 3HZ LYS 115 -30.383 3.173 5.615 975 HZ2 LYS 115 1HZ LYS 115 -30.397 2.203 4.229 976 HZ3 LYS 115 2HZ LYS 115 -31.845 2.561 5.025 977 H ARG 116 H ARG 116 -33.679 5.615 2.846 978 HA ARG 116 HA ARG 116 -35.504 4.575 3.724 979 HB2 ARG 116 2HB ARG 116 -34.021 5.723 5.974 980 HB3 ARG 116 3HB ARG 116 -35.717 5.425 6.334 981 HG2 ARG 116 2HG ARG 116 -35.396 3.087 5.515 982 HG3 ARG 116 3HG ARG 116 -33.669 3.430 5.404 983 HD2 ARG 116 2HD ARG 116 -34.646 4.250 7.966 984 HD3 ARG 116 3HD ARG 116 -35.135 2.584 7.658 985 HE ARG 116 HE ARG 116 -32.481 3.540 8.158 986 HH11 ARG 116 1HH1 ARG 116 -34.358 1.054 6.604 987 HH12 ARG 116 2HH1 ARG 116 -33.083 -0.118 6.647 988 HH21 ARG 116 1HH2 ARG 116 -30.794 2.007 8.220 989 HH22 ARG 116 2HH2 ARG 116 -31.056 0.425 7.567 Start of MODEL 20 1 H1 GLN 1 H GLN 1 0.548 -3.349 -3.725 2 HA GLN 1 HA GLN 1 -1.325 -1.398 -2.786 3 HB2 GLN 1 2HB GLN 1 0.445 -2.615 -0.884 4 HB3 GLN 1 3HB GLN 1 0.880 -0.923 -1.081 5 HG2 GLN 1 2HG GLN 1 -1.447 -0.290 -0.613 6 HG3 GLN 1 3HG GLN 1 -1.841 -1.990 -0.361 7 HE21 GLN 1 1HE2 GLN 1 0.810 0.138 0.666 8 HE22 GLN 1 2HE2 GLN 1 0.679 -0.229 2.349 9 H SER 2 H SER 2 -0.854 0.583 -3.575 10 HA SER 2 HA SER 2 1.864 1.182 -4.451 11 HB2 SER 2 2HB SER 2 0.325 0.111 -6.318 12 HB3 SER 2 3HB SER 2 -0.325 1.748 -6.408 13 HG SER 2 HG SER 2 2.451 1.220 -6.510 14 H LEU 3 H LEU 3 1.310 3.497 -5.874 15 HA LEU 3 HA LEU 3 0.151 5.204 -3.773 16 HB2 LEU 3 2HB LEU 3 1.572 6.990 -5.003 17 HB3 LEU 3 3HB LEU 3 2.349 5.864 -3.892 18 HG LEU 3 HG LEU 3 3.004 4.494 -5.892 19 HD11 LEU 3 1HD1 LEU 3 1.348 5.335 -7.462 20 HD12 LEU 3 2HD1 LEU 3 2.980 5.602 -8.073 21 HD13 LEU 3 3HD1 LEU 3 2.068 6.943 -7.381 22 HD21 LEU 3 3HD2 LEU 3 4.124 6.866 -4.841 23 HD22 LEU 3 1HD2 LEU 3 4.379 6.892 -6.586 24 HD23 LEU 3 2HD2 LEU 3 4.951 5.523 -5.632 25 H ASN 4 H ASN 4 -0.475 7.453 -4.800 26 HA ASN 4 HA ASN 4 -2.731 7.012 -6.408 27 HB2 ASN 4 2HB ASN 4 -3.135 9.291 -6.231 28 HB3 ASN 4 3HB ASN 4 -2.116 9.003 -4.824 29 HD21 ASN 4 1HD2 ASN 4 -2.645 11.318 -6.764 30 HD22 ASN 4 2HD2 ASN 4 -1.059 11.889 -7.141 31 HA PRO 5 HA PRO 5 -1.250 7.043 -10.540 32 HB2 PRO 5 2HB PRO 5 -3.283 8.301 -11.826 33 HB3 PRO 5 3HB PRO 5 -3.418 6.656 -11.196 34 HG2 PRO 5 2HG PRO 5 -4.377 9.227 -10.000 35 HG3 PRO 5 3HG PRO 5 -5.202 7.660 -10.094 36 HD2 PRO 5 2HD PRO 5 -3.962 8.522 -7.846 37 HD3 PRO 5 3HD PRO 5 -4.051 6.805 -8.289 38 H ALA 6 H ALA 6 -2.279 10.102 -9.146 39 HA ALA 6 HA ALA 6 -1.656 12.264 -9.520 40 HB1 ALA 6 1HB ALA 6 0.745 12.622 -9.880 41 HB2 ALA 6 2HB ALA 6 0.437 11.409 -8.637 42 HB3 ALA 6 3HB ALA 6 0.937 10.909 -10.252 43 H LEU 7 H LEU 7 -2.865 10.800 -11.766 44 HA LEU 7 HA LEU 7 -1.621 12.167 -14.051 45 HB2 LEU 7 2HB LEU 7 -3.421 9.782 -13.824 46 HB3 LEU 7 3HB LEU 7 -3.247 10.649 -15.349 47 HG LEU 7 HG LEU 7 -0.946 9.402 -13.851 48 HD11 LEU 7 1HD1 LEU 7 -2.990 8.046 -15.133 49 HD12 LEU 7 2HD1 LEU 7 -1.385 7.421 -14.759 50 HD13 LEU 7 3HD1 LEU 7 -1.707 8.134 -16.340 51 HD21 LEU 7 3HD2 LEU 7 -0.066 9.560 -16.318 52 HD22 LEU 7 1HD2 LEU 7 0.024 10.950 -15.236 53 HD23 LEU 7 2HD2 LEU 7 -1.265 10.849 -16.436 54 H GLN 8 H GLN 8 -4.757 11.576 -12.501 55 HA GLN 8 HA GLN 8 -5.753 14.027 -13.795 56 HB2 GLN 8 2HB GLN 8 -7.391 11.587 -13.092 57 HB3 GLN 8 3HB GLN 8 -7.975 13.044 -13.884 58 HG2 GLN 8 2HG GLN 8 -6.708 12.576 -15.846 59 HG3 GLN 8 3HG GLN 8 -5.868 11.246 -15.050 60 HE21 GLN 8 1HE2 GLN 8 -6.653 10.118 -17.004 61 HE22 GLN 8 2HE2 GLN 8 -8.225 9.404 -16.952 62 H GLU 9 H GLU 9 -4.519 14.435 -11.503 63 HA GLU 9 HA GLU 9 -6.530 14.380 -9.369 64 HB2 GLU 9 2HB GLU 9 -4.601 15.080 -7.910 65 HB3 GLU 9 3HB GLU 9 -4.442 13.492 -8.646 66 HG2 GLU 9 2HG GLU 9 -2.620 14.072 -9.792 67 HG3 GLU 9 3HG GLU 9 -3.287 15.639 -10.246 68 H LYS 10 H LYS 10 -7.556 16.090 -10.881 69 HA LYS 10 HA LYS 10 -6.399 18.738 -10.650 70 HB2 LYS 10 2HB LYS 10 -8.193 17.483 -12.420 71 HB3 LYS 10 3HB LYS 10 -9.121 18.733 -11.602 72 HG2 LYS 10 2HG LYS 10 -6.874 20.104 -12.208 73 HG3 LYS 10 3HG LYS 10 -6.942 18.966 -13.556 74 HD2 LYS 10 2HD LYS 10 -9.558 19.868 -13.260 75 HD3 LYS 10 3HD LYS 10 -8.561 21.306 -13.030 76 HE2 LYS 10 2HE LYS 10 -7.629 21.150 -15.154 77 HE3 LYS 10 3HE LYS 10 -8.042 19.444 -15.316 78 HZ1 LYS 10 3HZ LYS 10 -9.458 20.841 -16.690 79 HZ2 LYS 10 1HZ LYS 10 -9.981 21.694 -15.326 80 HZ3 LYS 10 2HZ LYS 10 -10.368 20.057 -15.499 81 H ILE 11 H ILE 11 -6.829 20.150 -9.087 82 HA ILE 11 HA ILE 11 -9.297 19.830 -7.522 83 HB ILE 11 HB ILE 11 -7.507 18.873 -6.186 84 HG12 ILE 11 2HG1 ILE 11 -7.696 20.343 -4.191 85 HG13 ILE 11 3HG1 ILE 11 -8.369 21.607 -5.214 86 HG21 ILE 11 1HG2 ILE 11 -6.003 21.294 -5.681 87 HG22 ILE 11 2HG2 ILE 11 -5.435 19.681 -6.109 88 HG23 ILE 11 3HG2 ILE 11 -5.920 20.810 -7.374 89 HD11 ILE 11 3HD1 ILE 11 -10.158 20.522 -4.082 90 HD12 ILE 11 1HD1 ILE 11 -10.228 20.056 -5.782 91 HD13 ILE 11 2HD1 ILE 11 -9.584 18.932 -4.584 92 H SER 12 H SER 12 -10.252 21.709 -6.810 93 HA SER 12 HA SER 12 -10.779 23.922 -6.737 94 HB2 SER 12 2HB SER 12 -9.076 24.891 -5.634 95 HB3 SER 12 3HB SER 12 -7.887 23.855 -6.422 96 HG SER 12 HG SER 12 -8.672 26.421 -7.029 97 H THR 13 H THR 13 -11.911 24.729 -8.361 98 HA THR 13 HA THR 13 -10.772 24.725 -11.058 99 HB THR 13 HB THR 13 -13.619 25.206 -10.156 100 HG1 THR 13 HG1 THR 13 -12.671 23.004 -10.009 101 HG21 THR 13 3HG2 THR 13 -12.438 24.940 -12.922 102 HG22 THR 13 1HG2 THR 13 -13.173 26.384 -12.227 103 HG23 THR 13 2HG2 THR 13 -14.163 24.963 -12.558 104 H GLU 14 H GLU 14 -13.048 26.934 -9.440 105 HA GLU 14 HA GLU 14 -11.607 29.182 -10.656 106 HB2 GLU 14 2HB GLU 14 -14.376 29.085 -9.446 107 HB3 GLU 14 3HB GLU 14 -13.647 30.485 -10.220 108 HG2 GLU 14 2HG GLU 14 -13.450 29.057 -12.301 109 HG3 GLU 14 3HG GLU 14 -14.498 27.900 -11.484 110 H LEU 15 H LEU 15 -11.378 27.561 -7.920 111 HA LEU 15 HA LEU 15 -10.322 28.080 -5.954 112 HB2 LEU 15 2HB LEU 15 -9.715 30.245 -7.482 113 HB3 LEU 15 3HB LEU 15 -10.612 30.995 -6.164 114 HG LEU 15 HG LEU 15 -9.027 29.938 -4.563 115 HD11 LEU 15 1HD1 LEU 15 -7.811 28.974 -7.120 116 HD12 LEU 15 2HD1 LEU 15 -8.127 28.090 -5.627 117 HD13 LEU 15 3HD1 LEU 15 -6.807 29.257 -5.697 118 HD21 LEU 15 3HD2 LEU 15 -7.416 31.530 -6.508 119 HD22 LEU 15 1HD2 LEU 15 -7.483 31.634 -4.748 120 HD23 LEU 15 2HD2 LEU 15 -8.811 32.270 -5.720 121 H ASN 16 H ASN 16 -13.363 29.091 -6.932 122 HA ASN 16 HA ASN 16 -14.175 29.970 -4.263 123 HB2 ASN 16 2HB ASN 16 -14.871 31.168 -6.428 124 HB3 ASN 16 3HB ASN 16 -15.958 29.807 -6.686 125 HD21 ASN 16 1HD2 ASN 16 -17.944 30.260 -6.111 126 HD22 ASN 16 2HD2 ASN 16 -18.425 31.229 -4.764 127 H ASN 17 H ASN 17 -14.976 27.511 -6.694 128 HA ASN 17 HA ASN 17 -16.838 26.166 -4.973 129 HB2 ASN 17 2HB ASN 17 -15.593 25.449 -7.628 130 HB3 ASN 17 3HB ASN 17 -16.706 24.378 -6.781 131 HD21 ASN 17 1HD2 ASN 17 -18.193 24.507 -8.466 132 HD22 ASN 17 2HD2 ASN 17 -19.165 25.913 -8.719 133 H LYS 18 H LYS 18 -13.445 26.111 -5.428 134 HA LYS 18 HA LYS 18 -12.727 23.516 -4.814 135 HB2 LYS 18 2HB LYS 18 -10.609 24.381 -4.107 136 HB3 LYS 18 3HB LYS 18 -11.176 25.384 -5.436 137 HG2 LYS 18 2HG LYS 18 -10.549 27.048 -4.057 138 HG3 LYS 18 3HG LYS 18 -12.156 26.788 -3.375 139 HD2 LYS 18 2HD LYS 18 -11.331 26.000 -1.444 140 HD3 LYS 18 3HD LYS 18 -10.104 25.028 -2.260 141 HE2 LYS 18 2HE LYS 18 -9.926 28.011 -1.865 142 HE3 LYS 18 3HE LYS 18 -9.183 26.823 -0.795 143 HZ1 LYS 18 3HZ LYS 18 -7.633 27.706 -2.457 144 HZ2 LYS 18 1HZ LYS 18 -8.604 27.083 -3.695 145 HZ3 LYS 18 2HZ LYS 18 -7.841 26.034 -2.610 146 H GLN 19 H GLN 19 -13.862 26.062 -2.685 147 HA GLN 19 HA GLN 19 -13.197 24.815 -0.237 148 HB2 GLN 19 2HB GLN 19 -14.558 27.188 -1.095 149 HB3 GLN 19 3HB GLN 19 -15.523 26.384 0.136 150 HG2 GLN 19 2HG GLN 19 -14.222 27.244 1.695 151 HG3 GLN 19 3HG GLN 19 -12.856 26.343 1.037 152 HE21 GLN 19 1HE2 GLN 19 -14.562 29.390 1.007 153 HE22 GLN 19 2HE2 GLN 19 -13.273 30.329 0.343 154 H TYR 20 H TYR 20 -16.170 24.836 -2.173 155 HA TYR 20 HA TYR 20 -17.644 23.196 -0.378 156 HB2 TYR 20 2HB TYR 20 -18.044 24.350 -3.060 157 HB3 TYR 20 3HB TYR 20 -18.900 22.839 -2.770 158 HD1 TYR 20 HD2 TYR 20 -18.581 26.356 -1.775 159 HD2 TYR 20 HD1 TYR 20 -20.709 22.722 -1.170 160 HE1 TYR 20 HE2 TYR 20 -20.334 27.590 -0.568 161 HE2 TYR 20 HE1 TYR 20 -22.468 23.945 0.038 162 HH TYR 20 HH TYR 20 -23.209 25.931 0.698 163 H GLU 21 H GLU 21 -15.889 22.546 -3.393 164 HA GLU 21 HA GLU 21 -16.503 19.808 -3.560 165 HB2 GLU 21 2HB GLU 21 -15.617 20.981 -5.473 166 HB3 GLU 21 3HB GLU 21 -14.137 21.367 -4.606 167 HG2 GLU 21 2HG GLU 21 -13.684 19.591 -6.131 168 HG3 GLU 21 3HG GLU 21 -13.628 18.947 -4.492 169 H LEU 22 H LEU 22 -13.739 21.497 -2.111 170 HA LEU 22 HA LEU 22 -12.351 19.182 -1.294 171 HB2 LEU 22 2HB LEU 22 -11.407 21.488 -1.471 172 HB3 LEU 22 3HB LEU 22 -12.280 21.900 0.003 173 HG LEU 22 HG LEU 22 -10.338 19.626 0.007 174 HD11 LEU 22 1HD1 LEU 22 -8.992 21.319 -0.938 175 HD12 LEU 22 2HD1 LEU 22 -8.629 21.314 0.787 176 HD13 LEU 22 3HD1 LEU 22 -9.681 22.558 0.111 177 HD21 LEU 22 3HD2 LEU 22 -11.005 19.603 2.127 178 HD22 LEU 22 1HD2 LEU 22 -11.912 21.101 1.919 179 HD23 LEU 22 2HD2 LEU 22 -10.199 21.159 2.333 180 H PHE 23 H PHE 23 -14.928 21.047 0.161 181 HA PHE 23 HA PHE 23 -14.779 20.138 2.789 182 HB2 PHE 23 2HB PHE 23 -16.286 21.955 1.891 183 HB3 PHE 23 3HB PHE 23 -17.343 20.683 1.287 184 HD1 PHE 23 HD2 PHE 23 -15.613 21.589 4.470 185 HD2 PHE 23 HD1 PHE 23 -19.150 20.157 2.586 186 HE1 PHE 23 HE2 PHE 23 -16.734 21.490 6.658 187 HE2 PHE 23 HE1 PHE 23 -20.278 20.057 4.770 188 HZ PHE 23 HZ PHE 23 -19.069 20.723 6.810 189 H MET 24 H MET 24 -16.529 18.756 0.022 190 HA MET 24 HA MET 24 -17.433 16.489 1.546 191 HB2 MET 24 2HB MET 24 -17.505 17.048 -1.424 192 HB3 MET 24 3HB MET 24 -18.281 15.676 -0.644 193 HG2 MET 24 2HG MET 24 -18.912 18.567 -0.099 194 HG3 MET 24 3HG MET 24 -19.845 17.496 -1.140 195 HE1 MET 24 3HE MET 24 -22.111 18.340 1.056 196 HE2 MET 24 1HE MET 24 -21.254 18.546 2.584 197 HE3 MET 24 2HE MET 24 -20.640 19.312 1.119 198 H LYS 25 H LYS 25 -14.807 17.214 -0.652 199 HA LYS 25 HA LYS 25 -13.978 14.575 -1.187 200 HB2 LYS 25 2HB LYS 25 -13.210 16.494 -2.501 201 HB3 LYS 25 3HB LYS 25 -12.349 17.122 -1.102 202 HG2 LYS 25 2HG LYS 25 -11.165 14.778 -1.186 203 HG3 LYS 25 3HG LYS 25 -11.679 14.831 -2.874 204 HD2 LYS 25 2HD LYS 25 -9.754 15.948 -3.192 205 HD3 LYS 25 3HD LYS 25 -10.649 17.327 -2.549 206 HE2 LYS 25 2HE LYS 25 -9.096 17.467 -0.960 207 HE3 LYS 25 3HE LYS 25 -9.745 15.967 -0.300 208 HZ1 LYS 25 3HZ LYS 25 -7.952 15.519 -2.485 209 HZ2 LYS 25 1HZ LYS 25 -7.946 14.850 -0.931 210 HZ3 LYS 25 2HZ LYS 25 -7.209 16.346 -1.210 211 H SER 26 H SER 26 -12.927 16.907 1.281 212 HA SER 26 HA SER 26 -11.029 15.174 2.480 213 HB2 SER 26 2HB SER 26 -10.556 17.307 3.136 214 HB3 SER 26 3HB SER 26 -12.250 17.798 3.122 215 HG SER 26 HG SER 26 -10.732 16.693 5.165 216 H LEU 27 H LEU 27 -14.434 15.845 3.089 217 HA LEU 27 HA LEU 27 -14.624 14.377 5.506 218 HB2 LEU 27 2HB LEU 27 -16.484 15.619 3.589 219 HB3 LEU 27 3HB LEU 27 -17.140 14.279 4.527 220 HG LEU 27 HG LEU 27 -16.725 15.438 6.586 221 HD11 LEU 27 1HD1 LEU 27 -14.893 16.717 6.633 222 HD12 LEU 27 2HD1 LEU 27 -15.944 17.992 6.018 223 HD13 LEU 27 3HD1 LEU 27 -14.960 17.046 4.902 224 HD21 LEU 27 3HD2 LEU 27 -17.811 17.749 5.185 225 HD22 LEU 27 1HD2 LEU 27 -18.555 16.701 6.393 226 HD23 LEU 27 2HD2 LEU 27 -18.557 16.227 4.694 227 H ILE 28 H ILE 28 -15.483 13.561 2.150 228 HA ILE 28 HA ILE 28 -16.344 10.940 2.656 229 HB ILE 28 HB ILE 28 -15.185 12.167 0.157 230 HG12 ILE 28 2HG1 ILE 28 -17.394 13.001 1.086 231 HG13 ILE 28 3HG1 ILE 28 -17.440 12.399 -0.568 232 HG21 ILE 28 1HG2 ILE 28 -16.287 9.423 0.656 233 HG22 ILE 28 2HG2 ILE 28 -16.340 10.163 -0.943 234 HG23 ILE 28 3HG2 ILE 28 -14.789 9.885 -0.152 235 HD11 ILE 28 3HD1 ILE 28 -19.260 11.734 1.219 236 HD12 ILE 28 1HD1 ILE 28 -18.718 10.605 -0.022 237 HD13 ILE 28 2HD1 ILE 28 -18.068 10.496 1.614 238 H GLU 29 H GLU 29 -13.166 12.176 1.651 239 HA GLU 29 HA GLU 29 -11.897 9.656 1.528 240 HB2 GLU 29 2HB GLU 29 -10.809 12.447 1.886 241 HB3 GLU 29 3HB GLU 29 -9.778 11.032 1.728 242 HG2 GLU 29 2HG GLU 29 -11.775 11.983 -0.313 243 HG3 GLU 29 3HG GLU 29 -10.030 12.221 -0.386 244 H ASN 30 H ASN 30 -12.415 11.947 4.132 245 HA ASN 30 HA ASN 30 -10.616 10.785 5.986 246 HB2 ASN 30 2HB ASN 30 -12.899 12.705 6.153 247 HB3 ASN 30 3HB ASN 30 -12.308 11.975 7.643 248 HD21 ASN 30 1HD2 ASN 30 -11.624 14.009 8.368 249 HD22 ASN 30 2HD2 ASN 30 -10.188 14.748 7.755 250 H CYS 31 H CYS 31 -14.163 10.545 5.699 251 HA CYS 31 HA CYS 31 -14.453 8.588 7.713 252 HB2 CYS 31 2HB CYS 31 -16.185 9.640 5.515 253 HB3 CYS 31 3HB CYS 31 -16.671 8.163 6.339 254 HG CYS 31 HG CYS 31 -16.136 11.183 7.861 255 H LYS 32 H LYS 32 -14.207 8.351 4.185 256 HA LYS 32 HA LYS 32 -14.559 5.560 4.018 257 HB2 LYS 32 2HB LYS 32 -14.797 6.972 2.061 258 HB3 LYS 32 3HB LYS 32 -13.114 7.472 2.175 259 HG2 LYS 32 2HG LYS 32 -12.433 5.132 1.757 260 HG3 LYS 32 3HG LYS 32 -14.133 4.712 1.532 261 HD2 LYS 32 2HD LYS 32 -13.482 5.071 -0.643 262 HD3 LYS 32 3HD LYS 32 -14.066 6.678 -0.204 263 HE2 LYS 32 2HE LYS 32 -12.076 7.507 -0.735 264 HE3 LYS 32 3HE LYS 32 -11.361 6.562 0.570 265 HZ1 LYS 32 3HZ LYS 32 -11.839 4.949 -1.721 266 HZ2 LYS 32 1HZ LYS 32 -10.390 5.230 -0.893 267 HZ3 LYS 32 2HZ LYS 32 -10.880 6.284 -2.122 268 H LYS 33 H LYS 33 -11.786 7.552 4.727 269 HA LYS 33 HA LYS 33 -9.746 5.685 4.249 270 HB2 LYS 33 2HB LYS 33 -10.028 8.227 5.697 271 HB3 LYS 33 3HB LYS 33 -8.786 7.164 6.346 272 HG2 LYS 33 2HG LYS 33 -7.513 7.256 4.428 273 HG3 LYS 33 3HG LYS 33 -8.886 7.702 3.412 274 HD2 LYS 33 2HD LYS 33 -8.912 9.868 4.845 275 HD3 LYS 33 3HD LYS 33 -7.258 9.409 5.257 276 HE2 LYS 33 2HE LYS 33 -7.997 9.347 2.391 277 HE3 LYS 33 3HE LYS 33 -7.868 10.935 3.146 278 HZ1 LYS 33 3HZ LYS 33 -5.804 9.449 2.157 279 HZ2 LYS 33 1HZ LYS 33 -5.679 9.231 3.830 280 HZ3 LYS 33 2HZ LYS 33 -5.664 10.791 3.178 281 H ARG 34 H ARG 34 -12.158 5.787 6.656 282 HA ARG 34 HA ARG 34 -10.715 4.311 8.657 283 HB2 ARG 34 2HB ARG 34 -13.051 5.813 8.617 284 HB3 ARG 34 3HB ARG 34 -13.617 4.163 8.842 285 HG2 ARG 34 2HG ARG 34 -12.430 3.912 10.848 286 HG3 ARG 34 3HG ARG 34 -11.433 5.333 10.532 287 HD2 ARG 34 2HD ARG 34 -13.426 6.756 10.750 288 HD3 ARG 34 3HD ARG 34 -14.394 5.326 11.106 289 HE ARG 34 HE ARG 34 -13.548 5.318 13.239 290 HH11 ARG 34 1HH1 ARG 34 -11.664 7.466 11.251 291 HH12 ARG 34 2HH1 ARG 34 -10.772 8.126 12.582 292 HH21 ARG 34 1HH2 ARG 34 -12.381 6.179 15.000 293 HH22 ARG 34 2HH2 ARG 34 -11.180 7.393 14.714 294 H ASN 35 H ASN 35 -11.875 3.460 5.705 295 HA ASN 35 HA ASN 35 -12.155 0.651 6.525 296 HB2 ASN 35 2HB ASN 35 -14.099 2.324 5.112 297 HB3 ASN 35 3HB ASN 35 -13.733 0.821 4.269 298 HD21 ASN 35 1HD2 ASN 35 -13.648 -1.123 5.827 299 HD22 ASN 35 2HD2 ASN 35 -14.974 -1.240 6.929 300 H MET 36 H MET 36 -11.591 2.876 3.814 301 HA MET 36 HA MET 36 -9.494 1.085 2.850 302 HB2 MET 36 2HB MET 36 -11.786 0.730 1.663 303 HB3 MET 36 3HB MET 36 -11.415 2.250 0.861 304 HG2 MET 36 2HG MET 36 -9.244 0.281 0.829 305 HG3 MET 36 3HG MET 36 -10.698 -0.197 -0.045 306 HE1 MET 36 3HE MET 36 -10.920 2.112 -3.013 307 HE2 MET 36 1HE MET 36 -11.141 0.459 -2.438 308 HE3 MET 36 2HE MET 36 -11.950 1.794 -1.616 309 HA PRO 37 HA PRO 37 -8.269 5.555 2.879 310 HB2 PRO 37 2HB PRO 37 -5.839 5.115 4.008 311 HB3 PRO 37 3HB PRO 37 -7.313 5.338 4.958 312 HG2 PRO 37 2HG PRO 37 -5.917 2.802 4.195 313 HG3 PRO 37 3HG PRO 37 -6.629 3.262 5.753 314 HD2 PRO 37 2HD PRO 37 -7.891 1.630 3.999 315 HD3 PRO 37 3HD PRO 37 -8.768 2.741 5.071 316 H LEU 38 H LEU 38 -6.532 6.585 1.721 317 HA LEU 38 HA LEU 38 -5.569 4.939 -0.493 318 HB2 LEU 38 2HB LEU 38 -6.444 7.650 -0.189 319 HB3 LEU 38 3HB LEU 38 -4.812 7.628 -0.853 320 HG LEU 38 HG LEU 38 -6.413 7.738 -2.647 321 HD11 LEU 38 1HD1 LEU 38 -4.380 6.411 -2.997 322 HD12 LEU 38 2HD1 LEU 38 -5.740 5.798 -3.936 323 HD13 LEU 38 3HD1 LEU 38 -5.240 4.966 -2.464 324 HD21 LEU 38 3HD2 LEU 38 -8.372 6.686 -2.631 325 HD22 LEU 38 1HD2 LEU 38 -7.989 6.142 -0.998 326 HD23 LEU 38 2HD2 LEU 38 -7.600 5.119 -2.381 327 H GLN 39 H GLN 39 -3.357 6.115 -1.366 328 HA GLN 39 HA GLN 39 -1.380 5.269 0.517 329 HB2 GLN 39 2HB GLN 39 -0.999 4.873 -1.828 330 HB3 GLN 39 3HB GLN 39 -1.158 6.586 -2.191 331 HG2 GLN 39 2HG GLN 39 1.153 6.020 -2.252 332 HG3 GLN 39 3HG GLN 39 0.867 7.008 -0.820 333 HE21 GLN 39 1HE2 GLN 39 1.945 4.006 -2.030 334 HE22 GLN 39 2HE2 GLN 39 2.329 3.270 -0.515 335 H SER 40 H SER 40 -2.520 8.378 -0.687 336 HA SER 40 HA SER 40 -1.583 9.737 1.637 337 HB2 SER 40 2HB SER 40 0.155 9.645 -0.697 338 HB3 SER 40 3HB SER 40 -0.271 11.298 -0.257 339 HG SER 40 HG SER 40 0.397 10.733 1.912 340 H ILE 41 H ILE 41 -1.863 10.872 -1.718 341 HA ILE 41 HA ILE 41 -4.100 12.579 -0.860 342 HB ILE 41 HB ILE 41 -2.303 12.916 -3.265 343 HG12 ILE 41 2HG1 ILE 41 -2.361 14.549 -0.722 344 HG13 ILE 41 3HG1 ILE 41 -1.208 13.252 -1.018 345 HG21 ILE 41 1HG2 ILE 41 -3.561 15.323 -2.626 346 HG22 ILE 41 2HG2 ILE 41 -3.893 14.279 -4.006 347 HG23 ILE 41 3HG2 ILE 41 -4.822 14.096 -2.518 348 HD11 ILE 41 3HD1 ILE 41 -1.444 15.904 -2.379 349 HD12 ILE 41 1HD1 ILE 41 -0.050 15.184 -1.573 350 HD13 ILE 41 2HD1 ILE 41 -0.589 14.558 -3.132 351 HA PRO 42 HA PRO 42 -6.324 9.567 -3.440 352 HB2 PRO 42 2HB PRO 42 -8.740 10.083 -2.314 353 HB3 PRO 42 3HB PRO 42 -7.554 8.993 -1.586 354 HG2 PRO 42 2HG PRO 42 -8.149 11.853 -0.933 355 HG3 PRO 42 3HG PRO 42 -7.855 10.492 0.166 356 HD2 PRO 42 2HD PRO 42 -5.950 12.323 -0.429 357 HD3 PRO 42 3HD PRO 42 -5.567 10.624 -0.081 358 H GLU 43 H GLU 43 -6.527 10.340 -5.461 359 HA GLU 43 HA GLU 43 -8.564 12.362 -5.960 360 HB2 GLU 43 2HB GLU 43 -5.679 12.630 -6.790 361 HB3 GLU 43 3HB GLU 43 -6.975 13.491 -7.608 362 HG2 GLU 43 2HG GLU 43 -7.512 14.150 -5.057 363 HG3 GLU 43 3HG GLU 43 -5.763 13.952 -4.968 364 H ILE 44 H ILE 44 -9.622 12.098 -7.879 365 HA ILE 44 HA ILE 44 -8.549 10.293 -9.892 366 HB ILE 44 HB ILE 44 -10.876 9.132 -9.922 367 HG12 ILE 44 2HG1 ILE 44 -11.525 10.792 -7.956 368 HG13 ILE 44 3HG1 ILE 44 -12.171 9.156 -8.023 369 HG21 ILE 44 1HG2 ILE 44 -10.033 7.423 -8.299 370 HG22 ILE 44 2HG2 ILE 44 -8.872 7.900 -9.537 371 HG23 ILE 44 3HG2 ILE 44 -8.726 8.537 -7.899 372 HD11 ILE 44 3HD1 ILE 44 -10.874 8.429 -6.278 373 HD12 ILE 44 1HD1 ILE 44 -9.644 9.666 -6.534 374 HD13 ILE 44 2HD1 ILE 44 -11.192 10.099 -5.807 375 H GLY 45 H GLY 45 -8.762 11.397 -11.720 376 HA2 GLY 45 2HA GLY 45 -9.914 12.365 -13.496 377 HA3 GLY 45 3HA GLY 45 -11.358 12.420 -12.495 378 H ASN 46 H ASN 46 -11.531 14.128 -10.905 379 HA ASN 46 HA ASN 46 -9.744 16.254 -10.648 380 HB2 ASN 46 2HB ASN 46 -11.065 17.970 -12.001 381 HB3 ASN 46 3HB ASN 46 -10.055 16.855 -12.916 382 HD21 ASN 46 1HD2 ASN 46 -10.983 15.425 -14.300 383 HD22 ASN 46 2HD2 ASN 46 -12.672 15.405 -14.665 384 H ARG 47 H ARG 47 -11.409 14.795 -8.963 385 HA ARG 47 HA ARG 47 -12.791 15.084 -7.179 386 HB2 ARG 47 2HB ARG 47 -12.798 18.025 -7.857 387 HB3 ARG 47 3HB ARG 47 -13.113 17.284 -6.294 388 HG2 ARG 47 2HG ARG 47 -10.472 16.801 -7.562 389 HG3 ARG 47 3HG ARG 47 -10.792 18.391 -6.866 390 HD2 ARG 47 2HD ARG 47 -9.717 16.876 -5.259 391 HD3 ARG 47 3HD ARG 47 -11.321 17.380 -4.727 392 HE ARG 47 HE ARG 47 -11.948 15.191 -4.764 393 HH11 ARG 47 1HH1 ARG 47 -9.170 15.578 -6.827 394 HH12 ARG 47 2HH1 ARG 47 -9.017 13.884 -7.158 395 HH21 ARG 47 1HH2 ARG 47 -11.757 12.959 -5.192 396 HH22 ARG 47 2HH2 ARG 47 -10.490 12.395 -6.228 397 H LYS 48 H LYS 48 -14.705 14.170 -7.569 398 HA LYS 48 HA LYS 48 -16.827 15.825 -8.689 399 HB2 LYS 48 2HB LYS 48 -15.621 13.554 -10.059 400 HB3 LYS 48 3HB LYS 48 -17.351 13.344 -9.825 401 HG2 LYS 48 2HG LYS 48 -17.892 15.092 -11.191 402 HG3 LYS 48 3HG LYS 48 -16.375 15.942 -10.889 403 HD2 LYS 48 2HD LYS 48 -16.039 15.210 -13.042 404 HD3 LYS 48 3HD LYS 48 -15.334 13.876 -12.127 405 HE2 LYS 48 2HE LYS 48 -18.107 13.363 -12.410 406 HE3 LYS 48 3HE LYS 48 -17.485 13.826 -13.993 407 HZ1 LYS 48 3HZ LYS 48 -15.739 12.011 -12.651 408 HZ2 LYS 48 1HZ LYS 48 -16.434 11.895 -14.189 409 HZ3 LYS 48 2HZ LYS 48 -17.289 11.358 -12.833 410 H ILE 49 H ILE 49 -15.924 14.402 -6.113 411 HA ILE 49 HA ILE 49 -18.213 12.660 -5.629 412 HB ILE 49 HB ILE 49 -16.080 13.392 -3.634 413 HG12 ILE 49 2HG1 ILE 49 -15.287 10.967 -4.479 414 HG13 ILE 49 3HG1 ILE 49 -15.965 11.578 -5.984 415 HG21 ILE 49 1HG2 ILE 49 -17.828 12.323 -2.530 416 HG22 ILE 49 2HG2 ILE 49 -18.131 11.223 -3.873 417 HG23 ILE 49 3HG2 ILE 49 -16.697 11.014 -2.869 418 HD11 ILE 49 3HD1 ILE 49 -13.975 12.497 -6.324 419 HD12 ILE 49 1HD1 ILE 49 -14.431 13.676 -5.094 420 HD13 ILE 49 2HD1 ILE 49 -13.485 12.256 -4.647 421 H ASN 50 H ASN 50 -17.723 15.881 -5.597 422 HA ASN 50 HA ASN 50 -18.893 16.602 -3.088 423 HB2 ASN 50 2HB ASN 50 -17.396 18.130 -4.307 424 HB3 ASN 50 3HB ASN 50 -18.568 18.232 -5.618 425 HD21 ASN 50 1HD2 ASN 50 -19.217 20.281 -5.538 426 HD22 ASN 50 2HD2 ASN 50 -19.899 21.055 -4.152 427 H LEU 51 H LEU 51 -20.965 17.541 -2.753 428 HA LEU 51 HA LEU 51 -23.062 16.184 -4.129 429 HB2 LEU 51 2HB LEU 51 -23.238 16.671 -1.767 430 HB3 LEU 51 3HB LEU 51 -23.127 18.400 -2.087 431 HG LEU 51 HG LEU 51 -25.356 17.084 -3.454 432 HD11 LEU 51 1HD1 LEU 51 -26.725 16.815 -1.464 433 HD12 LEU 51 2HD1 LEU 51 -25.348 17.227 -0.442 434 HD13 LEU 51 3HD1 LEU 51 -25.321 15.748 -1.402 435 HD21 LEU 51 3HD2 LEU 51 -25.013 19.510 -1.703 436 HD22 LEU 51 1HD2 LEU 51 -26.549 19.030 -2.423 437 HD23 LEU 51 2HD2 LEU 51 -25.187 19.460 -3.457 438 H PHE 52 H PHE 52 -21.465 19.188 -4.559 439 HA PHE 52 HA PHE 52 -23.640 20.280 -6.179 440 HB2 PHE 52 2HB PHE 52 -21.962 21.523 -4.454 441 HB3 PHE 52 3HB PHE 52 -21.092 21.765 -5.965 442 HD1 PHE 52 HD1 PHE 52 -24.638 21.927 -4.802 443 HD2 PHE 52 HD2 PHE 52 -21.488 23.764 -6.997 444 HE1 PHE 52 HE1 PHE 52 -26.123 23.811 -5.348 445 HE2 PHE 52 HE2 PHE 52 -22.967 25.652 -7.545 446 HZ PHE 52 HZ PHE 52 -25.288 25.678 -6.720 447 H TYR 53 H TYR 53 -20.370 19.037 -6.447 448 HA TYR 53 HA TYR 53 -20.029 19.739 -9.194 449 HB2 TYR 53 2HB TYR 53 -18.250 19.142 -7.356 450 HB3 TYR 53 3HB TYR 53 -18.520 17.494 -7.910 451 HD1 TYR 53 HD2 TYR 53 -18.680 17.533 -10.708 452 HD2 TYR 53 HD1 TYR 53 -16.320 20.048 -8.216 453 HE1 TYR 53 HE2 TYR 53 -17.115 17.898 -12.569 454 HE2 TYR 53 HE1 TYR 53 -14.749 20.422 -10.072 455 HH TYR 53 HH TYR 53 -15.312 18.989 -13.272 456 H LEU 54 H LEU 54 -20.742 16.682 -7.517 457 HA LEU 54 HA LEU 54 -20.969 15.068 -9.785 458 HB2 LEU 54 2HB LEU 54 -20.813 14.124 -7.576 459 HB3 LEU 54 3HB LEU 54 -22.338 14.872 -7.108 460 HG LEU 54 HG LEU 54 -22.451 13.008 -9.398 461 HD11 LEU 54 1HD1 LEU 54 -20.930 11.770 -8.022 462 HD12 LEU 54 2HD1 LEU 54 -22.534 11.055 -7.865 463 HD13 LEU 54 3HD1 LEU 54 -21.900 12.086 -6.583 464 HD21 LEU 54 3HD2 LEU 54 -24.130 13.738 -7.027 465 HD22 LEU 54 1HD2 LEU 54 -24.460 12.276 -7.957 466 HD23 LEU 54 2HD2 LEU 54 -24.515 13.853 -8.745 467 H TYR 55 H TYR 55 -23.244 17.262 -8.289 468 HA TYR 55 HA TYR 55 -25.509 16.346 -9.794 469 HB2 TYR 55 2HB TYR 55 -25.791 17.416 -7.604 470 HB3 TYR 55 3HB TYR 55 -25.101 18.907 -8.234 471 HD1 TYR 55 HD1 TYR 55 -27.843 16.510 -9.098 472 HD2 TYR 55 HD2 TYR 55 -26.585 20.565 -8.823 473 HE1 TYR 55 HE1 TYR 55 -30.085 17.246 -9.793 474 HE2 TYR 55 HE2 TYR 55 -28.824 21.312 -9.515 475 HH TYR 55 HH TYR 55 -30.874 19.808 -11.041 476 H MET 56 H MET 56 -23.325 19.139 -9.977 477 HA MET 56 HA MET 56 -24.534 20.431 -12.139 478 HB2 MET 56 2HB MET 56 -22.875 21.579 -10.844 479 HB3 MET 56 3HB MET 56 -21.657 20.370 -11.227 480 HG2 MET 56 2HG MET 56 -21.148 21.321 -13.183 481 HG3 MET 56 3HG MET 56 -22.833 21.663 -13.569 482 HE1 MET 56 3HE MET 56 -23.536 25.084 -12.667 483 HE2 MET 56 1HE MET 56 -24.119 23.449 -12.983 484 HE3 MET 56 2HE MET 56 -23.872 23.991 -11.323 485 H LEU 57 H LEU 57 -22.184 17.810 -12.036 486 HA LEU 57 HA LEU 57 -21.546 17.786 -14.784 487 HB2 LEU 57 2HB LEU 57 -20.428 16.595 -12.764 488 HB3 LEU 57 3HB LEU 57 -21.580 15.306 -13.110 489 HG LEU 57 HG LEU 57 -20.411 15.823 -15.566 490 HD11 LEU 57 1HD1 LEU 57 -18.725 17.210 -14.388 491 HD12 LEU 57 2HD1 LEU 57 -18.038 15.814 -15.217 492 HD13 LEU 57 3HD1 LEU 57 -18.250 15.783 -13.467 493 HD21 LEU 57 3HD2 LEU 57 -19.218 13.657 -15.100 494 HD22 LEU 57 1HD2 LEU 57 -20.963 13.631 -14.846 495 HD23 LEU 57 2HD2 LEU 57 -19.873 13.737 -13.463 496 H VAL 58 H VAL 58 -23.904 15.906 -12.899 497 HA VAL 58 HA VAL 58 -24.912 14.359 -14.998 498 HB VAL 58 HB VAL 58 -26.431 15.354 -12.583 499 HG11 VAL 58 1HG1 VAL 58 -27.658 13.152 -12.950 500 HG12 VAL 58 2HG1 VAL 58 -28.004 14.459 -14.084 501 HG13 VAL 58 3HG1 VAL 58 -26.928 13.142 -14.555 502 HG21 VAL 58 3HG2 VAL 58 -25.219 13.989 -11.312 503 HG22 VAL 58 1HG2 VAL 58 -25.515 12.639 -12.407 504 HG23 VAL 58 2HG2 VAL 58 -24.152 13.721 -12.690 505 H GLN 59 H GLN 59 -26.087 17.458 -13.700 506 HA GLN 59 HA GLN 59 -28.254 17.763 -15.447 507 HB2 GLN 59 2HB GLN 59 -27.250 19.178 -13.332 508 HB3 GLN 59 3HB GLN 59 -26.892 20.252 -14.678 509 HG2 GLN 59 2HG GLN 59 -29.393 19.780 -15.307 510 HG3 GLN 59 3HG GLN 59 -29.518 19.374 -13.596 511 HE21 GLN 59 1HE2 GLN 59 -31.029 21.231 -13.709 512 HE22 GLN 59 2HE2 GLN 59 -30.379 22.814 -13.469 513 H LYS 60 H LYS 60 -24.851 18.541 -15.805 514 HA LYS 60 HA LYS 60 -25.125 20.082 -18.180 515 HB2 LYS 60 2HB LYS 60 -22.937 18.996 -16.558 516 HB3 LYS 60 3HB LYS 60 -22.573 19.058 -18.277 517 HG2 LYS 60 2HG LYS 60 -23.776 21.520 -17.575 518 HG3 LYS 60 3HG LYS 60 -22.537 21.161 -16.370 519 HD2 LYS 60 2HD LYS 60 -20.844 21.019 -18.008 520 HD3 LYS 60 3HD LYS 60 -22.017 20.944 -19.325 521 HE2 LYS 60 2HE LYS 60 -22.096 23.164 -19.478 522 HE3 LYS 60 3HE LYS 60 -22.370 23.335 -17.745 523 HZ1 LYS 60 3HZ LYS 60 -19.682 22.817 -18.869 524 HZ2 LYS 60 1HZ LYS 60 -20.080 23.384 -17.326 525 HZ3 LYS 60 2HZ LYS 60 -20.287 24.385 -18.674 526 H PHE 61 H PHE 61 -24.659 16.664 -17.514 527 HA PHE 61 HA PHE 61 -24.165 15.948 -20.243 528 HB2 PHE 61 2HB PHE 61 -24.625 14.454 -17.695 529 HB3 PHE 61 3HB PHE 61 -24.789 13.595 -19.223 530 HD1 PHE 61 HD1 PHE 61 -22.404 16.199 -18.021 531 HD2 PHE 61 HD2 PHE 61 -22.948 12.270 -19.565 532 HE1 PHE 61 HE1 PHE 61 -19.963 15.899 -18.107 533 HE2 PHE 61 HE2 PHE 61 -20.509 11.963 -19.653 534 HZ PHE 61 HZ PHE 61 -19.013 13.778 -18.923 535 H GLY 62 H GLY 62 -26.913 16.888 -18.595 536 HA2 GLY 62 2HA GLY 62 -28.987 17.178 -19.740 537 HA3 GLY 62 3HA GLY 62 -28.604 15.771 -20.722 538 H GLY 63 H GLY 63 -28.058 15.582 -17.316 539 HA2 GLY 63 2HA GLY 63 -29.491 14.766 -15.621 540 HA3 GLY 63 3HA GLY 63 -30.653 14.309 -16.857 541 H ALA 64 H ALA 64 -29.780 12.664 -14.700 542 HA ALA 64 HA ALA 64 -27.778 10.847 -15.264 543 HB1 ALA 64 1HB ALA 64 -29.989 9.439 -14.129 544 HB2 ALA 64 2HB ALA 64 -28.498 9.976 -13.355 545 HB3 ALA 64 3HB ALA 64 -29.896 11.049 -13.415 546 H ASP 65 H ASP 65 -31.004 11.071 -16.602 547 HA ASP 65 HA ASP 65 -31.122 8.509 -17.781 548 HB2 ASP 65 2HB ASP 65 -32.598 11.065 -18.063 549 HB3 ASP 65 3HB ASP 65 -32.695 9.952 -19.425 550 H GLN 66 H GLN 66 -29.830 11.591 -18.888 551 HA GLN 66 HA GLN 66 -29.345 10.775 -21.565 552 HB2 GLN 66 2HB GLN 66 -29.402 13.166 -20.436 553 HB3 GLN 66 3HB GLN 66 -27.676 12.880 -20.263 554 HG2 GLN 66 2HG GLN 66 -27.295 13.309 -22.405 555 HG3 GLN 66 3HG GLN 66 -28.607 12.255 -22.929 556 HE21 GLN 66 1HE2 GLN 66 -27.677 14.992 -23.749 557 HE22 GLN 66 2HE2 GLN 66 -29.103 15.966 -23.696 558 H VAL 67 H VAL 67 -27.421 10.746 -18.611 559 HA VAL 67 HA VAL 67 -24.970 10.000 -19.822 560 HB VAL 67 HB VAL 67 -25.821 9.389 -16.992 561 HG11 VAL 67 1HG1 VAL 67 -23.681 8.863 -16.566 562 HG12 VAL 67 2HG1 VAL 67 -23.564 8.634 -18.312 563 HG13 VAL 67 3HG1 VAL 67 -23.056 10.159 -17.585 564 HG21 VAL 67 3HG2 VAL 67 -25.967 11.579 -16.635 565 HG22 VAL 67 1HG2 VAL 67 -24.251 11.704 -17.022 566 HG23 VAL 67 2HG2 VAL 67 -25.459 11.933 -18.286 567 H THR 68 H THR 68 -27.685 8.172 -18.528 568 HA THR 68 HA THR 68 -26.345 5.632 -18.873 569 HB THR 68 HB THR 68 -27.949 5.947 -17.026 570 HG1 THR 68 HG1 THR 68 -29.038 3.969 -17.385 571 HG21 THR 68 3HG2 THR 68 -29.508 7.440 -18.260 572 HG22 THR 68 1HG2 THR 68 -30.322 6.111 -17.437 573 HG23 THR 68 2HG2 THR 68 -30.063 6.042 -19.180 574 H ARG 69 H ARG 69 -28.482 7.682 -20.674 575 HA ARG 69 HA ARG 69 -29.704 5.880 -22.392 576 HB2 ARG 69 2HB ARG 69 -30.292 8.244 -22.341 577 HB3 ARG 69 3HB ARG 69 -28.712 8.673 -22.980 578 HG2 ARG 69 2HG ARG 69 -30.297 6.786 -24.598 579 HG3 ARG 69 3HG ARG 69 -30.909 8.437 -24.491 580 HD2 ARG 69 2HD ARG 69 -28.036 8.312 -24.953 581 HD3 ARG 69 3HD ARG 69 -28.972 7.533 -26.228 582 HE ARG 69 HE ARG 69 -29.988 10.115 -25.524 583 HH11 ARG 69 1HH1 ARG 69 -27.605 8.429 -27.420 584 HH12 ARG 69 2HH1 ARG 69 -27.447 9.697 -28.590 585 HH21 ARG 69 1HH2 ARG 69 -29.789 11.793 -27.056 586 HH22 ARG 69 2HH2 ARG 69 -28.690 11.611 -28.381 587 H THR 70 H THR 70 -26.499 7.363 -22.602 588 HA THR 70 HA THR 70 -25.905 5.708 -24.954 589 HB THR 70 HB THR 70 -23.688 7.250 -24.656 590 HG1 THR 70 HG1 THR 70 -24.226 9.217 -23.870 591 HG21 THR 70 3HG2 THR 70 -24.514 7.331 -26.769 592 HG22 THR 70 1HG2 THR 70 -25.144 8.881 -26.215 593 HG23 THR 70 2HG2 THR 70 -26.187 7.459 -26.227 594 H GLN 71 H GLN 71 -25.787 5.299 -21.783 595 HA GLN 71 HA GLN 71 -24.582 4.019 -20.341 596 HB2 GLN 71 2HB GLN 71 -24.826 2.528 -22.500 597 HB3 GLN 71 3HB GLN 71 -23.090 2.784 -22.619 598 HG2 GLN 71 2HG GLN 71 -22.768 1.825 -20.419 599 HG3 GLN 71 3HG GLN 71 -24.510 1.632 -20.228 600 HE21 GLN 71 1HE2 GLN 71 -21.640 0.252 -21.365 601 HE22 GLN 71 2HE2 GLN 71 -22.323 -1.140 -22.127 602 H GLN 72 H GLN 72 -23.569 6.492 -20.532 603 HA GLN 72 HA GLN 72 -20.661 6.154 -20.811 604 HB2 GLN 72 2HB GLN 72 -22.378 8.168 -21.727 605 HB3 GLN 72 3HB GLN 72 -21.514 8.884 -20.373 606 HG2 GLN 72 2HG GLN 72 -19.428 8.567 -21.392 607 HG3 GLN 72 3HG GLN 72 -20.085 7.439 -22.576 608 HE21 GLN 72 1HE2 GLN 72 -18.548 9.513 -23.406 609 HE22 GLN 72 2HE2 GLN 72 -19.515 10.676 -24.242 610 H TRP 73 H TRP 73 -23.066 6.213 -18.520 611 HA TRP 73 HA TRP 73 -22.023 7.763 -16.447 612 HB2 TRP 73 2HB TRP 73 -24.243 6.935 -16.226 613 HB3 TRP 73 3HB TRP 73 -23.716 5.266 -16.425 614 HD1 TRP 73 HD1 TRP 73 -23.421 3.941 -14.253 615 HE1 TRP 73 HE1 TRP 73 -23.204 4.525 -11.756 616 HE3 TRP 73 HE3 TRP 73 -23.223 9.036 -14.626 617 HZ2 TRP 73 HZ2 TRP 73 -22.979 6.840 -10.156 618 HZ3 TRP 73 HZ3 TRP 73 -23.007 10.362 -12.565 619 HH2 TRP 73 HH2 TRP 73 -22.889 9.285 -10.377 620 H SER 74 H SER 74 -21.242 4.502 -17.492 621 HA SER 74 HA SER 74 -19.697 3.757 -15.248 622 HB2 SER 74 2HB SER 74 -19.036 1.880 -16.500 623 HB3 SER 74 3HB SER 74 -20.625 2.277 -17.154 624 HG SER 74 HG SER 74 -19.723 2.993 -18.972 625 H MET 75 H MET 75 -18.935 5.476 -18.217 626 HA MET 75 HA MET 75 -16.112 5.436 -17.884 627 HB2 MET 75 2HB MET 75 -17.508 5.932 -20.008 628 HB3 MET 75 3HB MET 75 -17.591 7.576 -19.389 629 HG2 MET 75 2HG MET 75 -14.939 7.108 -19.199 630 HG3 MET 75 3HG MET 75 -15.349 6.118 -20.597 631 HE1 MET 75 3HE MET 75 -13.567 8.983 -20.051 632 HE2 MET 75 1HE MET 75 -14.383 10.412 -20.685 633 HE3 MET 75 2HE MET 75 -14.913 9.698 -19.162 634 H VAL 76 H VAL 76 -18.599 7.884 -17.195 635 HA VAL 76 HA VAL 76 -16.778 9.772 -16.097 636 HB VAL 76 HB VAL 76 -18.787 10.919 -15.235 637 HG11 VAL 76 1HG1 VAL 76 -17.949 10.929 -17.703 638 HG12 VAL 76 2HG1 VAL 76 -19.455 10.065 -18.019 639 HG13 VAL 76 3HG1 VAL 76 -19.495 11.674 -17.297 640 HG21 VAL 76 3HG2 VAL 76 -20.156 8.416 -16.186 641 HG22 VAL 76 1HG2 VAL 76 -20.214 9.158 -14.587 642 HG23 VAL 76 2HG2 VAL 76 -21.017 9.937 -15.951 643 H ALA 77 H ALA 77 -18.866 7.284 -14.707 644 HA ALA 77 HA ALA 77 -18.604 7.913 -12.011 645 HB1 ALA 77 1HB ALA 77 -20.192 6.295 -12.439 646 HB2 ALA 77 2HB ALA 77 -19.118 5.367 -13.487 647 HB3 ALA 77 3HB ALA 77 -18.884 5.341 -11.740 648 H GLN 78 H GLN 78 -16.576 5.782 -14.012 649 HA GLN 78 HA GLN 78 -14.788 5.039 -11.973 650 HB2 GLN 78 2HB GLN 78 -14.865 3.754 -13.994 651 HB3 GLN 78 3HB GLN 78 -14.464 5.160 -14.971 652 HG2 GLN 78 2HG GLN 78 -12.456 4.628 -12.954 653 HG3 GLN 78 3HG GLN 78 -12.711 3.251 -14.024 654 HE21 GLN 78 1HE2 GLN 78 -10.698 5.635 -13.616 655 HE22 GLN 78 2HE2 GLN 78 -10.340 6.083 -15.245 656 H ARG 79 H ARG 79 -14.915 7.821 -14.095 657 HA ARG 79 HA ARG 79 -12.314 8.784 -13.771 658 HB2 ARG 79 2HB ARG 79 -14.224 9.606 -15.318 659 HB3 ARG 79 3HB ARG 79 -14.691 10.612 -13.953 660 HG2 ARG 79 2HG ARG 79 -13.280 12.127 -14.751 661 HG3 ARG 79 3HG ARG 79 -11.981 11.070 -14.197 662 HD2 ARG 79 2HD ARG 79 -11.690 10.125 -16.318 663 HD3 ARG 79 3HD ARG 79 -13.259 10.696 -16.884 664 HE ARG 79 HE ARG 79 -10.785 12.136 -16.919 665 HH11 ARG 79 1HH1 ARG 79 -14.248 12.457 -16.751 666 HH12 ARG 79 2HH1 ARG 79 -14.262 14.058 -17.414 667 HH21 ARG 79 1HH2 ARG 79 -10.791 14.244 -17.792 668 HH22 ARG 79 2HH2 ARG 79 -12.296 15.073 -18.006 669 H LEU 80 H LEU 80 -15.217 9.311 -11.812 670 HA LEU 80 HA LEU 80 -13.643 10.826 -9.867 671 HB2 LEU 80 2HB LEU 80 -15.636 11.643 -9.005 672 HB3 LEU 80 3HB LEU 80 -15.940 11.548 -10.739 673 HG LEU 80 HG LEU 80 -16.814 9.103 -9.680 674 HD11 LEU 80 1HD1 LEU 80 -18.612 10.358 -8.132 675 HD12 LEU 80 2HD1 LEU 80 -17.187 11.342 -7.798 676 HD13 LEU 80 3HD1 LEU 80 -17.146 9.603 -7.506 677 HD21 LEU 80 3HD2 LEU 80 -17.988 9.932 -11.477 678 HD22 LEU 80 1HD2 LEU 80 -18.075 11.562 -10.807 679 HD23 LEU 80 2HD2 LEU 80 -19.098 10.283 -10.151 680 H GLN 81 H GLN 81 -14.329 7.683 -10.464 681 HA GLN 81 HA GLN 81 -14.142 5.771 -9.245 682 HB2 GLN 81 2HB GLN 81 -12.242 7.137 -8.209 683 HB3 GLN 81 3HB GLN 81 -13.348 7.459 -6.880 684 HG2 GLN 81 2HG GLN 81 -13.565 5.028 -6.518 685 HG3 GLN 81 3HG GLN 81 -12.371 4.761 -7.787 686 HE21 GLN 81 1HE2 GLN 81 -10.379 4.481 -7.113 687 HE22 GLN 81 2HE2 GLN 81 -9.704 5.076 -5.638 688 H ILE 82 H ILE 82 -16.654 6.641 -9.505 689 HA ILE 82 HA ILE 82 -17.874 6.525 -6.837 690 HB ILE 82 HB ILE 82 -18.464 8.130 -9.026 691 HG12 ILE 82 2HG1 ILE 82 -18.902 8.630 -6.658 692 HG13 ILE 82 3HG1 ILE 82 -20.334 8.906 -7.643 693 HG21 ILE 82 1HG2 ILE 82 -20.655 7.514 -9.779 694 HG22 ILE 82 2HG2 ILE 82 -19.568 6.153 -10.051 695 HG23 ILE 82 3HG2 ILE 82 -20.689 6.127 -8.690 696 HD11 ILE 82 3HD1 ILE 82 -19.843 6.420 -6.024 697 HD12 ILE 82 1HD1 ILE 82 -20.792 7.803 -5.478 698 HD13 ILE 82 2HD1 ILE 82 -21.322 6.866 -6.875 699 H SER 83 H SER 83 -17.530 4.795 -9.822 700 HA SER 83 HA SER 83 -18.811 2.477 -8.638 701 HB2 SER 83 2HB SER 83 -20.578 3.861 -9.908 702 HB3 SER 83 3HB SER 83 -19.743 3.338 -11.371 703 HG SER 83 HG SER 83 -20.023 1.136 -10.335 704 H ASP 84 H ASP 84 -16.480 1.972 -8.747 705 HA ASP 84 HA ASP 84 -15.454 1.370 -11.410 706 HB2 ASP 84 2HB ASP 84 -14.267 1.569 -8.678 707 HB3 ASP 84 3HB ASP 84 -13.457 0.555 -9.868 708 H TYR 85 H TYR 85 -17.477 -0.210 -11.254 709 HA TYR 85 HA TYR 85 -18.112 -2.388 -11.466 710 HB2 TYR 85 2HB TYR 85 -15.332 -3.243 -10.687 711 HB3 TYR 85 3HB TYR 85 -16.488 -4.084 -11.714 712 HD1 TYR 85 HD1 TYR 85 -17.280 -2.379 -13.765 713 HD2 TYR 85 HD2 TYR 85 -13.491 -2.481 -11.832 714 HE1 TYR 85 HE1 TYR 85 -16.243 -1.378 -15.758 715 HE2 TYR 85 HE2 TYR 85 -12.444 -1.479 -13.819 716 HH TYR 85 HH TYR 85 -13.997 -1.272 -16.808 717 H GLN 86 H GLN 86 -16.592 -4.469 -9.764 718 HA GLN 86 HA GLN 86 -18.403 -4.729 -7.703 719 HB2 GLN 86 2HB GLN 86 -16.872 -6.308 -6.702 720 HB3 GLN 86 3HB GLN 86 -16.830 -6.494 -8.450 721 HG2 GLN 86 2HG GLN 86 -14.753 -5.261 -8.565 722 HG3 GLN 86 3HG GLN 86 -14.808 -4.966 -6.827 723 HE21 GLN 86 1HE2 GLN 86 -13.000 -6.501 -8.775 724 HE22 GLN 86 2HE2 GLN 86 -12.757 -8.016 -7.981 725 H GLN 87 H GLN 87 -15.450 -2.847 -7.815 726 HA GLN 87 HA GLN 87 -15.108 -2.331 -5.096 727 HB2 GLN 87 2HB GLN 87 -13.799 -1.603 -7.367 728 HB3 GLN 87 3HB GLN 87 -14.547 -0.077 -6.914 729 HG2 GLN 87 2HG GLN 87 -13.477 -0.119 -4.771 730 HG3 GLN 87 3HG GLN 87 -12.852 -1.740 -5.068 731 HE21 GLN 87 1HE2 GLN 87 -12.587 1.634 -5.903 732 HE22 GLN 87 2HE2 GLN 87 -11.025 1.535 -6.634 733 H LEU 88 H LEU 88 -17.445 -1.125 -7.340 734 HA LEU 88 HA LEU 88 -18.192 1.284 -6.203 735 HB2 LEU 88 2HB LEU 88 -20.128 1.146 -7.440 736 HB3 LEU 88 3HB LEU 88 -19.049 0.063 -8.316 737 HG LEU 88 HG LEU 88 -20.223 -1.740 -6.749 738 HD11 LEU 88 1HD1 LEU 88 -21.668 0.533 -6.101 739 HD12 LEU 88 2HD1 LEU 88 -22.130 -1.138 -5.780 740 HD13 LEU 88 3HD1 LEU 88 -22.701 -0.331 -7.241 741 HD21 LEU 88 3HD2 LEU 88 -20.556 -2.367 -8.865 742 HD22 LEU 88 1HD2 LEU 88 -20.684 -0.701 -9.429 743 HD23 LEU 88 2HD2 LEU 88 -22.096 -1.513 -8.752 744 H GLU 89 H GLU 89 -18.722 -1.953 -5.066 745 HA GLU 89 HA GLU 89 -20.847 -1.407 -3.275 746 HB2 GLU 89 2HB GLU 89 -19.410 -3.666 -4.090 747 HB3 GLU 89 3HB GLU 89 -19.112 -3.537 -2.362 748 HG2 GLU 89 2HG GLU 89 -21.536 -3.457 -1.969 749 HG3 GLU 89 3HG GLU 89 -21.806 -3.652 -3.700 750 H SER 90 H SER 90 -17.328 -1.576 -2.844 751 HA SER 90 HA SER 90 -17.356 -1.020 -0.069 752 HB2 SER 90 2HB SER 90 -15.274 -1.786 -0.480 753 HB3 SER 90 3HB SER 90 -15.347 -1.315 -2.178 754 HG SER 90 HG SER 90 -14.455 0.565 -1.715 755 H ILE 91 H ILE 91 -17.029 1.026 -2.932 756 HA ILE 91 HA ILE 91 -16.492 3.435 -1.555 757 HB ILE 91 HB ILE 91 -17.766 3.053 -4.267 758 HG12 ILE 91 2HG1 ILE 91 -14.975 3.940 -4.102 759 HG13 ILE 91 3HG1 ILE 91 -15.237 2.319 -3.468 760 HG21 ILE 91 1HG2 ILE 91 -16.525 5.408 -4.460 761 HG22 ILE 91 2HG2 ILE 91 -18.202 5.252 -3.937 762 HG23 ILE 91 3HG2 ILE 91 -16.919 5.441 -2.741 763 HD11 ILE 91 3HD1 ILE 91 -16.637 2.533 -5.920 764 HD12 ILE 91 1HD1 ILE 91 -15.003 3.150 -6.160 765 HD13 ILE 91 2HD1 ILE 91 -15.247 1.522 -5.525 766 H TYR 92 H TYR 92 -19.494 1.935 -2.675 767 HA TYR 92 HA TYR 92 -21.191 4.091 -1.977 768 HB2 TYR 92 2HB TYR 92 -21.535 1.263 -2.782 769 HB3 TYR 92 3HB TYR 92 -22.862 1.971 -1.868 770 HD1 TYR 92 HD2 TYR 92 -20.632 3.604 -4.359 771 HD2 TYR 92 HD1 TYR 92 -24.556 2.227 -3.458 772 HE1 TYR 92 HE2 TYR 92 -21.471 4.670 -6.411 773 HE2 TYR 92 HE1 TYR 92 -25.405 3.288 -5.508 774 HH TYR 92 HH TYR 92 -24.071 3.971 -7.914 775 H PHE 93 H PHE 93 -20.091 1.221 -0.250 776 HA PHE 93 HA PHE 93 -21.791 1.495 1.989 777 HB2 PHE 93 2HB PHE 93 -20.252 -0.493 1.208 778 HB3 PHE 93 3HB PHE 93 -19.063 0.290 2.244 779 HD1 PHE 93 HD2 PHE 93 -20.260 1.086 4.594 780 HD2 PHE 93 HD1 PHE 93 -21.320 -2.258 2.183 781 HE1 PHE 93 HE2 PHE 93 -21.249 -0.013 6.560 782 HE2 PHE 93 HE1 PHE 93 -22.311 -3.362 4.145 783 HZ PHE 93 HZ PHE 93 -22.276 -2.241 6.338 784 H ARG 94 H ARG 94 -18.403 2.460 1.479 785 HA ARG 94 HA ARG 94 -18.058 3.674 3.997 786 HB2 ARG 94 2HB ARG 94 -16.616 3.707 1.397 787 HB3 ARG 94 3HB ARG 94 -16.263 5.008 2.526 788 HG2 ARG 94 2HG ARG 94 -14.802 3.645 3.482 789 HG3 ARG 94 3HG ARG 94 -16.176 2.711 4.078 790 HD2 ARG 94 2HD ARG 94 -15.366 2.161 1.300 791 HD3 ARG 94 3HD ARG 94 -14.200 1.696 2.538 792 HE ARG 94 HE ARG 94 -16.899 0.820 3.049 793 HH11 ARG 94 1HH1 ARG 94 -13.851 0.062 1.547 794 HH12 ARG 94 2HH1 ARG 94 -14.126 -1.649 1.553 795 HH21 ARG 94 1HH2 ARG 94 -17.272 -1.430 3.063 796 HH22 ARG 94 2HH2 ARG 94 -16.072 -2.497 2.415 797 H ILE 95 H ILE 95 -19.251 4.887 0.921 798 HA ILE 95 HA ILE 95 -19.323 7.629 1.758 799 HB ILE 95 HB ILE 95 -20.521 6.189 -0.601 800 HG12 ILE 95 2HG1 ILE 95 -18.377 8.315 -0.454 801 HG13 ILE 95 3HG1 ILE 95 -18.047 6.587 -0.510 802 HG21 ILE 95 1HG2 ILE 95 -22.064 7.930 -0.150 803 HG22 ILE 95 2HG2 ILE 95 -20.772 9.081 0.185 804 HG23 ILE 95 3HG2 ILE 95 -21.032 8.501 -1.460 805 HD11 ILE 95 3HD1 ILE 95 -17.774 7.451 -2.700 806 HD12 ILE 95 1HD1 ILE 95 -19.269 6.515 -2.686 807 HD13 ILE 95 2HD1 ILE 95 -19.331 8.277 -2.634 808 H LEU 96 H LEU 96 -21.456 4.907 1.968 809 HA LEU 96 HA LEU 96 -23.761 6.557 2.623 810 HB2 LEU 96 2HB LEU 96 -23.316 3.620 2.246 811 HB3 LEU 96 3HB LEU 96 -24.784 4.217 3.017 812 HG LEU 96 HG LEU 96 -23.972 5.212 0.309 813 HD11 LEU 96 1HD1 LEU 96 -24.797 2.509 1.006 814 HD12 LEU 96 2HD1 LEU 96 -24.139 3.142 -0.503 815 HD13 LEU 96 3HD1 LEU 96 -25.865 3.279 -0.168 816 HD21 LEU 96 3HD2 LEU 96 -25.859 6.145 1.850 817 HD22 LEU 96 1HD2 LEU 96 -26.750 4.729 1.290 818 HD23 LEU 96 2HD2 LEU 96 -26.158 5.915 0.127 819 H LEU 97 H LEU 97 -21.124 5.263 4.222 820 HA LEU 97 HA LEU 97 -21.964 4.238 6.597 821 HB2 LEU 97 2HB LEU 97 -19.707 6.058 5.888 822 HB3 LEU 97 3HB LEU 97 -19.994 5.654 7.580 823 HG LEU 97 HG LEU 97 -19.477 3.637 5.397 824 HD11 LEU 97 1HD1 LEU 97 -17.266 3.394 6.419 825 HD12 LEU 97 2HD1 LEU 97 -17.625 4.735 7.507 826 HD13 LEU 97 3HD1 LEU 97 -17.511 5.016 5.770 827 HD21 LEU 97 3HD2 LEU 97 -20.796 2.757 7.244 828 HD22 LEU 97 1HD2 LEU 97 -19.610 3.365 8.399 829 HD23 LEU 97 2HD2 LEU 97 -19.164 2.087 7.268 830 HA PRO 98 HA PRO 98 -24.242 7.230 8.856 831 HB2 PRO 98 2HB PRO 98 -23.369 6.822 11.394 832 HB3 PRO 98 3HB PRO 98 -24.416 5.680 10.543 833 HG2 PRO 98 2HG PRO 98 -21.451 5.593 10.946 834 HG3 PRO 98 3HG PRO 98 -22.636 4.280 11.074 835 HD2 PRO 98 2HD PRO 98 -21.076 4.628 8.888 836 HD3 PRO 98 3HD PRO 98 -22.721 3.966 8.792 837 H TYR 99 H TYR 99 -20.776 7.171 9.617 838 HA TYR 99 HA TYR 99 -20.701 9.772 10.752 839 HB2 TYR 99 2HB TYR 99 -18.420 8.231 9.502 840 HB3 TYR 99 3HB TYR 99 -18.290 9.556 10.652 841 HD1 TYR 99 HD2 TYR 99 -19.807 9.072 12.876 842 HD2 TYR 99 HD1 TYR 99 -18.018 6.140 10.366 843 HE1 TYR 99 HE2 TYR 99 -19.843 7.466 14.738 844 HE2 TYR 99 HE1 TYR 99 -18.050 4.524 12.220 845 HH TYR 99 HH TYR 99 -19.850 4.965 15.010 846 H GLU 100 H GLU 100 -19.977 8.508 7.521 847 HA GLU 100 HA GLU 100 -19.102 10.954 6.414 848 HB2 GLU 100 2HB GLU 100 -18.636 8.764 5.389 849 HB3 GLU 100 3HB GLU 100 -20.345 8.573 5.026 850 HG2 GLU 100 2HG GLU 100 -18.799 9.348 3.152 851 HG3 GLU 100 3HG GLU 100 -20.312 10.220 3.389 852 H ARG 101 H ARG 101 -22.259 9.319 6.319 853 HA ARG 101 HA ARG 101 -23.583 11.284 4.801 854 HB2 ARG 101 2HB ARG 101 -25.616 10.194 5.426 855 HB3 ARG 101 3HB ARG 101 -24.393 8.946 5.227 856 HG2 ARG 101 2HG ARG 101 -24.110 8.807 7.634 857 HG3 ARG 101 3HG ARG 101 -25.288 10.102 7.859 858 HD2 ARG 101 2HD ARG 101 -26.730 8.401 6.347 859 HD3 ARG 101 3HD ARG 101 -25.690 7.256 7.193 860 HE ARG 101 HE ARG 101 -26.668 8.940 9.133 861 HH11 ARG 101 1HH1 ARG 101 -28.015 6.777 6.761 862 HH12 ARG 101 2HH1 ARG 101 -29.415 6.399 7.709 863 HH21 ARG 101 1HH2 ARG 101 -28.508 8.451 10.391 864 HH22 ARG 101 2HH2 ARG 101 -29.695 7.353 9.773 865 H HIS 102 H HIS 102 -23.008 10.948 8.249 866 HA HIS 102 HA HIS 102 -24.793 12.989 9.086 867 HB2 HIS 102 2HB HIS 102 -22.534 11.490 10.336 868 HB3 HIS 102 3HB HIS 102 -23.094 12.964 11.121 869 HD1 HIS 102 HD1 HIS 102 -23.570 10.791 12.896 870 HD2 HIS 102 HD2 HIS 102 -26.188 11.464 9.742 871 HE1 HIS 102 HE1 HIS 102 -25.708 9.634 13.538 872 H MET 103 H MET 103 -21.345 12.951 8.291 873 HA MET 103 HA MET 103 -20.770 15.597 9.038 874 HB2 MET 103 2HB MET 103 -19.393 13.438 7.834 875 HB3 MET 103 3HB MET 103 -19.195 14.823 6.767 876 HG2 MET 103 2HG MET 103 -17.374 14.722 8.336 877 HG3 MET 103 3HG MET 103 -18.363 16.145 8.653 878 HE1 MET 103 3HE MET 103 -16.899 15.476 11.857 879 HE2 MET 103 1HE MET 103 -17.320 16.582 10.549 880 HE3 MET 103 2HE MET 103 -18.415 16.375 11.916 881 H ILE 104 H ILE 104 -21.797 14.214 5.938 882 HA ILE 104 HA ILE 104 -21.799 16.761 4.608 883 HB ILE 104 HB ILE 104 -22.696 15.612 2.701 884 HG12 ILE 104 2HG1 ILE 104 -23.140 13.270 4.565 885 HG13 ILE 104 3HG1 ILE 104 -24.396 14.267 3.839 886 HG21 ILE 104 1HG2 ILE 104 -20.291 15.266 3.367 887 HG22 ILE 104 2HG2 ILE 104 -20.778 13.697 4.005 888 HG23 ILE 104 3HG2 ILE 104 -20.965 14.047 2.287 889 HD11 ILE 104 3HD1 ILE 104 -22.569 12.304 2.503 890 HD12 ILE 104 1HD1 ILE 104 -24.331 12.305 2.567 891 HD13 ILE 104 2HD1 ILE 104 -23.484 13.510 1.598 892 H SER 105 H SER 105 -24.035 14.943 6.498 893 HA SER 105 HA SER 105 -26.466 15.947 5.510 894 HB2 SER 105 2HB SER 105 -26.986 14.269 6.941 895 HB3 SER 105 3HB SER 105 -25.557 14.546 7.936 896 HG SER 105 HG SER 105 -28.038 15.224 8.476 897 H GLN 106 H GLN 106 -24.102 17.280 7.710 898 HA GLN 106 HA GLN 106 -25.593 19.269 8.947 899 HB2 GLN 106 2HB GLN 106 -22.736 18.821 8.360 900 HB3 GLN 106 3HB GLN 106 -23.188 20.494 8.655 901 HG2 GLN 106 2HG GLN 106 -24.245 19.762 10.786 902 HG3 GLN 106 3HG GLN 106 -23.586 18.152 10.498 903 HE21 GLN 106 1HE2 GLN 106 -22.266 21.422 10.116 904 HE22 GLN 106 2HE2 GLN 106 -20.874 21.161 11.105 905 H GLU 107 H GLU 107 -23.975 19.291 5.801 906 HA GLU 107 HA GLU 107 -24.530 22.013 5.217 907 HB2 GLU 107 2HB GLU 107 -22.753 20.658 4.110 908 HB3 GLU 107 3HB GLU 107 -24.010 19.760 3.272 909 HG2 GLU 107 2HG GLU 107 -24.436 22.552 2.875 910 HG3 GLU 107 3HG GLU 107 -22.762 22.157 2.491 911 H GLY 108 H GLY 108 -26.383 19.107 5.023 912 HA2 GLY 108 2HA GLY 108 -28.639 20.660 3.973 913 HA3 GLY 108 3HA GLY 108 -28.194 19.177 3.141 914 H ILE 109 H ILE 109 -29.327 20.500 6.207 915 HA ILE 109 HA ILE 109 -30.052 17.851 7.169 916 HB ILE 109 HB ILE 109 -30.806 20.371 8.592 917 HG12 ILE 109 2HG1 ILE 109 -28.042 19.141 8.531 918 HG13 ILE 109 3HG1 ILE 109 -28.485 20.739 7.941 919 HG21 ILE 109 1HG2 ILE 109 -30.387 18.983 10.568 920 HG22 ILE 109 2HG2 ILE 109 -31.560 18.238 9.484 921 HG23 ILE 109 3HG2 ILE 109 -29.898 17.650 9.523 922 HD11 ILE 109 3HD1 ILE 109 -28.467 19.783 10.790 923 HD12 ILE 109 1HD1 ILE 109 -27.419 20.993 10.050 924 HD13 ILE 109 2HD1 ILE 109 -29.136 21.330 10.272 925 H LYS 110 H LYS 110 -31.378 19.762 4.976 926 HA LYS 110 HA LYS 110 -34.010 20.247 5.746 927 HB2 LYS 110 2HB LYS 110 -32.520 20.088 3.238 928 HB3 LYS 110 3HB LYS 110 -34.203 19.607 3.064 929 HG2 LYS 110 2HG LYS 110 -33.998 21.949 2.596 930 HG3 LYS 110 3HG LYS 110 -34.881 21.741 4.110 931 HD2 LYS 110 2HD LYS 110 -33.387 22.990 5.182 932 HD3 LYS 110 3HD LYS 110 -32.086 21.909 4.676 933 HE2 LYS 110 2HE LYS 110 -31.657 24.200 3.955 934 HE3 LYS 110 3HE LYS 110 -31.882 23.130 2.572 935 HZ1 LYS 110 3HZ LYS 110 -33.049 25.306 2.409 936 HZ2 LYS 110 1HZ LYS 110 -34.040 24.828 3.694 937 HZ3 LYS 110 2HZ LYS 110 -34.064 23.963 2.241 938 H GLU 111 H GLU 111 -32.421 17.284 4.996 939 HA GLU 111 HA GLU 111 -34.744 15.773 4.321 940 HB2 GLU 111 2HB GLU 111 -33.259 13.802 4.717 941 HB3 GLU 111 3HB GLU 111 -32.610 14.973 3.578 942 HG2 GLU 111 2HG GLU 111 -31.077 15.812 5.184 943 HG3 GLU 111 3HG GLU 111 -31.847 14.903 6.483 944 H THR 112 H THR 112 -33.203 16.705 7.285 945 HA THR 112 HA THR 112 -34.334 14.726 8.971 946 HB THR 112 HB THR 112 -33.426 17.517 9.706 947 HG1 THR 112 HG1 THR 112 -31.527 16.144 10.401 948 HG21 THR 112 3HG2 THR 112 -34.754 16.602 11.478 949 HG22 THR 112 1HG2 THR 112 -33.061 16.460 11.949 950 HG23 THR 112 2HG2 THR 112 -33.934 15.045 11.361 951 H GLN 113 H GLN 113 -35.278 18.091 8.285 952 HA GLN 113 HA GLN 113 -37.575 18.098 9.910 953 HB2 GLN 113 2HB GLN 113 -36.293 19.876 8.059 954 HB3 GLN 113 3HB GLN 113 -38.021 19.847 7.734 955 HG2 GLN 113 2HG GLN 113 -38.551 20.593 9.893 956 HG3 GLN 113 3HG GLN 113 -36.931 20.251 10.497 957 HE21 GLN 113 1HE2 GLN 113 -36.900 22.417 11.281 958 HE22 GLN 113 2HE2 GLN 113 -36.546 23.728 10.214 959 H ALA 114 H ALA 114 -36.959 16.750 6.806 960 HA ALA 114 HA ALA 114 -39.685 16.658 5.924 961 HB1 ALA 114 1HB ALA 114 -37.325 16.409 4.645 962 HB2 ALA 114 2HB ALA 114 -37.784 14.713 4.796 963 HB3 ALA 114 3HB ALA 114 -38.863 15.850 3.988 964 H LYS 115 H LYS 115 -37.642 14.671 7.897 965 HA LYS 115 HA LYS 115 -38.028 12.781 9.103 966 HB2 LYS 115 2HB LYS 115 -40.392 14.201 9.191 967 HB3 LYS 115 3HB LYS 115 -40.913 12.615 8.641 968 HG2 LYS 115 2HG LYS 115 -39.510 11.719 10.611 969 HG3 LYS 115 3HG LYS 115 -39.593 13.377 11.212 970 HD2 LYS 115 2HD LYS 115 -41.992 11.707 10.467 971 HD3 LYS 115 3HD LYS 115 -41.376 11.895 12.111 972 HE2 LYS 115 2HE LYS 115 -41.844 14.232 12.098 973 HE3 LYS 115 3HE LYS 115 -42.202 14.211 10.372 974 HZ1 LYS 115 3HZ LYS 115 -43.784 12.808 12.457 975 HZ2 LYS 115 1HZ LYS 115 -44.140 12.864 10.804 976 HZ3 LYS 115 2HZ LYS 115 -44.213 14.276 11.733 977 H ARG 116 H ARG 116 -39.254 10.549 8.942 978 HA ARG 116 HA ARG 116 -38.882 9.642 6.176 979 HB2 ARG 116 2HB ARG 116 -38.737 7.360 7.240 980 HB3 ARG 116 3HB ARG 116 -37.449 8.475 7.674 981 HG2 ARG 116 2HG ARG 116 -37.987 8.426 9.835 982 HG3 ARG 116 3HG ARG 116 -39.713 8.583 9.500 983 HD2 ARG 116 2HD ARG 116 -39.989 6.276 9.235 984 HD3 ARG 116 3HD ARG 116 -38.260 6.004 9.020 985 HE ARG 116 HE ARG 116 -38.894 7.057 11.602 986 HH11 ARG 116 1HH1 ARG 116 -38.765 4.150 9.690 987 HH12 ARG 116 2HH1 ARG 116 -38.564 3.104 11.057 988 HH21 ARG 116 1HH2 ARG 116 -38.630 5.690 13.409 989 HH22 ARG 116 2HH2 ARG 116 -38.488 3.981 13.172
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