NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
276096 | 2kpj | 16557 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 20.501 6.932 10.722 2 H2 MET 1 H2 MET 1 19.721 5.634 11.482 3 H3 MET 1 H3 MET 1 18.810 6.930 10.869 4 HA MET 1 HA MET 1 20.424 5.022 9.278 5 HB2 MET 1 2HB MET 1 17.426 5.355 9.512 6 HB3 MET 1 1HB MET 1 18.235 4.306 8.359 7 HG2 MET 1 2HG MET 1 17.509 2.908 10.089 8 HG3 MET 1 1HG MET 1 19.239 3.113 10.346 9 HE1 MET 1 2HE MET 1 18.920 2.135 12.804 10 HE2 MET 1 3HE MET 1 17.181 1.988 12.549 11 HE3 MET 1 1HE MET 1 17.799 2.812 13.982 12 H VAL 2 HN VAL 2 18.453 7.930 9.394 13 HA VAL 2 HA VAL 2 17.900 9.505 7.872 14 HB VAL 2 HB VAL 2 20.324 8.610 6.295 15 HG11 VAL 2 1HG1 VAL 2 18.853 10.086 5.047 16 HG12 VAL 2 2HG1 VAL 2 20.335 10.936 5.488 17 HG13 VAL 2 3HG1 VAL 2 18.844 11.240 6.381 18 HG21 VAL 2 3HG2 VAL 2 20.976 9.078 8.591 19 HG22 VAL 2 1HG2 VAL 2 20.141 10.631 8.530 20 HG23 VAL 2 2HG2 VAL 2 21.558 10.351 7.518 21 H LYS 3 HN LYS 3 16.151 7.852 7.594 22 HA LYS 3 HA LYS 3 16.013 7.043 4.762 23 HB2 LYS 3 2HB LYS 3 16.281 5.069 6.223 24 HB3 LYS 3 1HB LYS 3 14.871 5.565 7.147 25 HG2 LYS 3 2HG LYS 3 13.463 5.256 5.171 26 HG3 LYS 3 1HG LYS 3 14.880 4.760 4.242 27 HD2 LYS 3 2HD LYS 3 15.202 2.844 5.696 28 HD3 LYS 3 1HD LYS 3 13.866 3.370 6.722 29 HE2 LYS 3 2HE LYS 3 12.323 3.093 4.826 30 HE3 LYS 3 1HE LYS 3 13.665 2.524 3.833 31 HZ1 LYS 3 3HZ LYS 3 12.837 1.207 6.358 32 HZ2 LYS 3 1HZ LYS 3 13.905 0.609 5.184 33 HZ3 LYS 3 2HZ LYS 3 12.250 0.744 4.835 34 H ASP 4 HN ASP 4 14.105 7.468 3.713 35 HA ASP 4 HA ASP 4 12.431 9.480 4.879 36 HB2 ASP 4 2HB ASP 4 12.833 9.702 2.564 37 HB3 ASP 4 1HB ASP 4 12.416 8.022 2.246 38 H LYS 5 HN LYS 5 10.590 9.249 5.935 39 HA LYS 5 HA LYS 5 9.811 6.685 6.828 40 HB2 LYS 5 2HB LYS 5 9.608 8.884 8.085 41 HB3 LYS 5 1HB LYS 5 8.195 9.218 7.096 42 HG2 LYS 5 2HG LYS 5 7.516 8.337 9.235 43 HG3 LYS 5 1HG LYS 5 7.128 7.178 7.961 44 HD2 LYS 5 2HD LYS 5 9.064 5.851 8.518 45 HD3 LYS 5 1HD LYS 5 9.589 7.051 9.701 46 HE2 LYS 5 2HE LYS 5 7.548 6.628 11.007 47 HE3 LYS 5 1HE LYS 5 7.066 5.400 9.836 48 HZ1 LYS 5 3HZ LYS 5 9.607 5.293 11.366 49 HZ2 LYS 5 1HZ LYS 5 8.916 4.054 10.431 50 HZ3 LYS 5 2HZ LYS 5 8.179 4.536 11.882 51 H GLN 6 HN GLN 6 8.571 8.846 4.344 52 HA GLN 6 HA GLN 6 6.070 7.652 3.946 53 HB2 GLN 6 2HB GLN 6 6.768 9.823 2.960 54 HB3 GLN 6 1HB GLN 6 7.820 8.953 1.851 55 HG2 GLN 6 2HG GLN 6 5.774 9.565 0.742 56 HG3 GLN 6 1HG GLN 6 5.865 7.812 0.913 57 HE21 GLN 6 1HE2 GLN 6 4.248 10.711 1.919 58 HE22 GLN 6 2HE2 GLN 6 2.930 9.938 2.723 59 H LYS 7 HN LYS 7 9.173 7.006 2.286 60 HA LYS 7 HA LYS 7 8.199 4.874 0.729 61 HB2 LYS 7 2HB LYS 7 10.949 5.677 1.616 62 HB3 LYS 7 1HB LYS 7 10.701 4.171 0.740 63 HG2 LYS 7 2HG LYS 7 9.616 5.449 -1.071 64 HG3 LYS 7 1HG LYS 7 10.001 6.938 -0.209 65 HD2 LYS 7 2HD LYS 7 12.081 4.930 -1.032 66 HD3 LYS 7 1HD LYS 7 11.583 6.275 -2.061 67 HE2 LYS 7 2HE LYS 7 12.794 6.465 0.693 68 HE3 LYS 7 1HE LYS 7 13.580 6.866 -0.834 69 HZ1 LYS 7 3HZ LYS 7 11.716 8.533 -1.132 70 HZ2 LYS 7 1HZ LYS 7 12.872 8.890 0.059 71 HZ3 LYS 7 2HZ LYS 7 11.354 8.280 0.506 72 H ALA 8 HN ALA 8 9.300 5.005 4.035 73 HA ALA 8 HA ALA 8 9.528 2.177 4.383 74 HB1 ALA 8 1HB ALA 8 10.687 3.754 5.860 75 HB2 ALA 8 2HB ALA 8 9.634 2.668 6.767 76 HB3 ALA 8 3HB ALA 8 9.131 4.329 6.460 77 H ILE 9 HN ILE 9 6.925 4.496 4.663 78 HA ILE 9 HA ILE 9 5.072 2.659 5.861 79 HB ILE 9 HB ILE 9 4.558 5.251 4.381 80 HG12 ILE 9 2HG1 ILE 9 4.614 4.709 7.359 81 HG13 ILE 9 1HG1 ILE 9 5.950 5.413 6.457 82 HG21 ILE 9 1HG2 ILE 9 2.725 3.611 6.124 83 HG22 ILE 9 2HG2 ILE 9 2.578 3.846 4.382 84 HG23 ILE 9 3HG2 ILE 9 2.357 5.212 5.480 85 HD11 ILE 9 3HD1 ILE 9 4.646 7.113 7.609 86 HD12 ILE 9 1HD1 ILE 9 3.205 6.606 6.727 87 HD13 ILE 9 2HD1 ILE 9 4.568 7.315 5.857 88 H PHE 10 HN PHE 10 5.541 3.986 2.600 89 HA PHE 10 HA PHE 10 3.516 2.662 1.255 90 HB2 PHE 10 2HB PHE 10 4.882 4.424 0.234 91 HB3 PHE 10 1HB PHE 10 6.287 3.365 0.254 92 HD1 PHE 10 2HD PHE 10 2.933 3.842 -1.225 93 HD2 PHE 10 1HD PHE 10 6.673 1.823 -1.487 94 HE1 PHE 10 2HE PHE 10 2.330 3.014 -3.461 95 HE2 PHE 10 1HE PHE 10 6.073 0.998 -3.724 96 HZ PHE 10 HZ PHE 10 3.899 1.592 -4.712 97 H SER 11 HN SER 11 6.866 1.545 1.782 98 HA SER 11 HA SER 11 6.522 -0.936 0.479 99 HB2 SER 11 2HB SER 11 8.583 -1.592 1.823 100 HB3 SER 11 1HB SER 11 8.751 -0.188 0.773 101 HG SER 11 HG SER 11 8.700 1.142 2.509 102 H GLU 12 HN GLU 12 6.255 0.035 3.871 103 HA GLU 12 HA GLU 12 5.795 -2.447 5.035 104 HB2 GLU 12 2HB GLU 12 6.144 -0.455 6.365 105 HB3 GLU 12 1HB GLU 12 4.686 0.280 5.725 106 HG2 GLU 12 2HG GLU 12 4.355 -0.498 7.994 107 HG3 GLU 12 1HG GLU 12 3.325 -1.375 6.866 108 H ASN 13 HN ASN 13 3.444 -0.160 3.675 109 HA ASN 13 HA ASN 13 1.181 -1.802 4.145 110 HB2 ASN 13 2HB ASN 13 1.634 0.514 2.263 111 HB3 ASN 13 1HB ASN 13 0.078 -0.291 2.442 112 HD21 ASN 13 1HD2 ASN 13 -0.881 1.592 3.187 113 HD22 ASN 13 2HD2 ASN 13 -0.580 2.220 4.771 114 H LEU 14 HN LEU 14 3.148 -1.230 1.240 115 HA LEU 14 HA LEU 14 1.683 -2.859 -0.510 116 HB2 LEU 14 2HB LEU 14 3.390 -1.226 -1.215 117 HB3 LEU 14 1HB LEU 14 4.643 -2.246 -0.536 118 HG LEU 14 HG LEU 14 4.031 -4.016 -2.172 119 HD11 LEU 14 1HD1 LEU 14 2.236 -1.864 -3.286 120 HD12 LEU 14 2HD1 LEU 14 1.726 -3.408 -2.599 121 HD13 LEU 14 3HD1 LEU 14 2.643 -3.372 -4.106 122 HD21 LEU 14 3HD2 LEU 14 4.793 -1.332 -3.310 123 HD22 LEU 14 1HD2 LEU 14 5.017 -2.880 -4.123 124 HD23 LEU 14 2HD2 LEU 14 5.888 -2.533 -2.628 125 H ASN 15 HN ASN 15 4.538 -3.594 1.463 126 HA ASN 15 HA ASN 15 4.894 -6.252 0.696 127 HB2 ASN 15 2HB ASN 15 5.590 -4.719 3.182 128 HB3 ASN 15 1HB ASN 15 5.932 -6.440 3.067 129 HD21 ASN 15 1HD2 ASN 15 8.146 -5.763 3.317 130 HD22 ASN 15 2HD2 ASN 15 9.040 -5.216 1.939 131 H SER 16 HN SER 16 2.697 -4.842 3.034 132 HA SER 16 HA SER 16 1.898 -7.165 4.366 133 HB2 SER 16 2HB SER 16 0.200 -4.753 3.683 134 HB3 SER 16 1HB SER 16 -0.150 -5.942 4.936 135 HG SER 16 HG SER 16 2.214 -4.361 4.880 136 H TYR 17 HN TYR 17 0.587 -5.651 1.423 137 HA TYR 17 HA TYR 17 -1.419 -7.628 1.031 138 HB2 TYR 17 2HB TYR 17 -0.217 -5.626 -0.885 139 HB3 TYR 17 1HB TYR 17 -1.615 -6.632 -1.250 140 HD1 TYR 17 1HD TYR 17 -3.680 -6.378 0.245 141 HD2 TYR 17 2HD TYR 17 -0.481 -3.570 0.207 142 HE1 TYR 17 1HE TYR 17 -5.159 -4.687 1.244 143 HE2 TYR 17 2HE TYR 17 -1.954 -1.875 1.210 144 HH TYR 17 HH TYR 17 -4.353 -1.392 1.404 145 H ILE 18 HN ILE 18 1.840 -7.171 -0.232 146 HA ILE 18 HA ILE 18 1.800 -9.246 -2.131 147 HB ILE 18 HB ILE 18 4.140 -8.127 -0.585 148 HG12 ILE 18 2HG1 ILE 18 3.202 -7.487 -3.386 149 HG13 ILE 18 1HG1 ILE 18 2.805 -6.511 -1.978 150 HG21 ILE 18 1HG2 ILE 18 4.096 -9.785 -3.106 151 HG22 ILE 18 2HG2 ILE 18 4.693 -10.298 -1.528 152 HG23 ILE 18 3HG2 ILE 18 5.524 -9.017 -2.412 153 HD11 ILE 18 3HD1 ILE 18 5.574 -7.050 -3.023 154 HD12 ILE 18 1HD1 ILE 18 5.176 -6.063 -1.618 155 HD13 ILE 18 2HD1 ILE 18 4.658 -5.558 -3.226 156 H ALA 19 HN ALA 19 2.849 -9.210 1.265 157 HA ALA 19 HA ALA 19 3.648 -11.951 1.263 158 HB1 ALA 19 1HB ALA 19 3.088 -10.143 3.605 159 HB2 ALA 19 2HB ALA 19 4.638 -10.301 2.780 160 HB3 ALA 19 3HB ALA 19 3.958 -11.675 3.653 161 H LYS 20 HN LYS 20 0.613 -10.520 1.310 162 HA LYS 20 HA LYS 20 -0.625 -12.681 2.817 163 HB2 LYS 20 2HB LYS 20 -1.425 -10.029 1.960 164 HB3 LYS 20 1HB LYS 20 -2.642 -11.224 1.539 165 HG2 LYS 20 2HG LYS 20 -3.309 -10.503 3.633 166 HG3 LYS 20 1HG LYS 20 -2.437 -11.990 3.987 167 HD2 LYS 20 2HD LYS 20 -1.133 -9.279 4.117 168 HD3 LYS 20 1HD LYS 20 -1.979 -9.989 5.489 169 HE2 LYS 20 2HE LYS 20 0.353 -11.254 4.049 170 HE3 LYS 20 1HE LYS 20 0.470 -10.346 5.555 171 HZ1 LYS 20 3HZ LYS 20 -1.045 -11.988 6.568 172 HZ2 LYS 20 1HZ LYS 20 0.413 -12.676 6.039 173 HZ3 LYS 20 2HZ LYS 20 -1.011 -12.893 5.136 174 H SER 21 HN SER 21 0.426 -12.068 -0.305 175 HA SER 21 HA SER 21 -1.469 -13.947 -1.510 176 HB2 SER 21 2HB SER 21 -1.022 -11.797 -2.693 177 HB3 SER 21 1HB SER 21 0.671 -12.261 -2.840 178 HG SER 21 HG SER 21 -1.213 -12.810 -4.522 179 H GLU 22 HN GLU 22 -0.590 -15.693 -2.840 180 HA GLU 22 HA GLU 22 1.885 -16.736 -1.676 181 HB2 GLU 22 2HB GLU 22 -0.225 -18.209 -3.264 182 HB3 GLU 22 1HB GLU 22 1.170 -18.933 -2.472 183 HG2 GLU 22 2HG GLU 22 0.205 -17.896 -0.320 184 HG3 GLU 22 1HG GLU 22 -1.286 -17.747 -1.248 185 H LYS 23 HN LYS 23 1.053 -14.945 -4.224 186 HA LYS 23 HA LYS 23 2.795 -16.203 -6.172 187 HB2 LYS 23 2HB LYS 23 1.031 -13.785 -6.122 188 HB3 LYS 23 1HB LYS 23 2.311 -13.880 -7.312 189 HG2 LYS 23 2HG LYS 23 1.370 -15.979 -8.160 190 HG3 LYS 23 1HG LYS 23 0.080 -15.873 -6.961 191 HD2 LYS 23 2HD LYS 23 -0.732 -13.827 -7.949 192 HD3 LYS 23 1HD LYS 23 0.628 -13.788 -9.070 193 HE2 LYS 23 2HE LYS 23 -1.468 -15.958 -8.989 194 HE3 LYS 23 1HE LYS 23 -1.488 -14.587 -10.097 195 HZ1 LYS 23 3HZ LYS 23 0.432 -16.838 -10.003 196 HZ2 LYS 23 1HZ LYS 23 0.802 -15.391 -10.803 197 HZ3 LYS 23 2HZ LYS 23 -0.523 -16.323 -11.300 198 H THR 24 HN THR 24 4.867 -15.618 -6.548 199 HA THR 24 HA THR 24 6.241 -14.219 -4.489 200 HB THR 24 HB THR 24 8.255 -14.590 -5.939 201 HG1 THR 24 1HG THR 24 7.389 -16.358 -7.628 202 HG21 THR 24 3HG2 THR 24 7.641 -16.216 -4.249 203 HG22 THR 24 1HG2 THR 24 8.224 -17.050 -5.687 204 HG23 THR 24 2HG2 THR 24 6.492 -16.972 -5.355 205 H GLN 25 HN GLN 25 7.796 -12.491 -4.896 206 HA GLN 25 HA GLN 25 6.711 -10.172 -5.967 207 HB2 GLN 25 2HB GLN 25 9.606 -10.912 -5.496 208 HB3 GLN 25 1HB GLN 25 9.066 -9.293 -5.899 209 HG2 GLN 25 2HG GLN 25 9.345 -9.270 -3.585 210 HG3 GLN 25 1HG GLN 25 7.606 -9.434 -3.818 211 HE21 GLN 25 1HE2 GLN 25 10.526 -10.985 -2.782 212 HE22 GLN 25 2HE2 GLN 25 9.769 -12.338 -2.006 213 H LEU 26 HN LEU 26 8.756 -12.614 -7.394 214 HA LEU 26 HA LEU 26 9.334 -11.265 -9.823 215 HB2 LEU 26 2HB LEU 26 10.038 -13.679 -8.585 216 HB3 LEU 26 1HB LEU 26 9.260 -14.145 -10.084 217 HG LEU 26 HG LEU 26 11.615 -12.269 -9.855 218 HD11 LEU 26 1HD1 LEU 26 11.467 -15.129 -10.802 219 HD12 LEU 26 2HD1 LEU 26 12.201 -14.572 -9.300 220 HD13 LEU 26 3HD1 LEU 26 12.895 -14.095 -10.848 221 HD21 LEU 26 3HD2 LEU 26 11.720 -12.443 -12.284 222 HD22 LEU 26 1HD2 LEU 26 10.175 -11.766 -11.770 223 HD23 LEU 26 2HD2 LEU 26 10.273 -13.450 -12.285 224 H GLU 27 HN GLU 27 6.673 -13.221 -8.712 225 HA GLU 27 HA GLU 27 5.446 -13.673 -11.240 226 HB2 GLU 27 2HB GLU 27 4.805 -14.125 -8.419 227 HB3 GLU 27 1HB GLU 27 3.397 -13.712 -9.388 228 HG2 GLU 27 2HG GLU 27 5.331 -15.917 -10.055 229 HG3 GLU 27 1HG GLU 27 3.815 -16.145 -9.182 230 H ILE 28 HN ILE 28 4.790 -11.373 -8.619 231 HA ILE 28 HA ILE 28 2.664 -10.053 -9.911 232 HB ILE 28 HB ILE 28 4.497 -8.906 -7.798 233 HG12 ILE 28 2HG1 ILE 28 1.942 -10.502 -7.468 234 HG13 ILE 28 1HG1 ILE 28 3.563 -11.109 -7.152 235 HG21 ILE 28 1HG2 ILE 28 1.641 -8.237 -8.520 236 HG22 ILE 28 2HG2 ILE 28 3.057 -7.251 -8.885 237 HG23 ILE 28 3HG2 ILE 28 2.577 -7.515 -7.210 238 HD11 ILE 28 3HD1 ILE 28 2.181 -8.876 -5.684 239 HD12 ILE 28 1HD1 ILE 28 3.826 -9.435 -5.383 240 HD13 ILE 28 2HD1 ILE 28 2.459 -10.513 -5.092 241 H ALA 29 HN ALA 29 6.135 -9.493 -9.911 242 HA ALA 29 HA ALA 29 6.245 -6.944 -10.996 243 HB1 ALA 29 1HB ALA 29 8.501 -7.496 -11.704 244 HB2 ALA 29 2HB ALA 29 8.162 -9.214 -11.490 245 HB3 ALA 29 3HB ALA 29 8.175 -8.138 -10.095 246 H LYS 30 HN LYS 30 5.903 -10.058 -12.669 247 HA LYS 30 HA LYS 30 6.263 -8.957 -15.276 248 HB2 LYS 30 2HB LYS 30 4.852 -11.527 -14.554 249 HB3 LYS 30 1HB LYS 30 5.504 -11.093 -16.127 250 HG2 LYS 30 2HG LYS 30 7.773 -11.011 -15.026 251 HG3 LYS 30 1HG LYS 30 7.011 -11.753 -13.616 252 HD2 LYS 30 2HD LYS 30 6.116 -13.462 -15.398 253 HD3 LYS 30 1HD LYS 30 7.502 -12.885 -16.328 254 HE2 LYS 30 2HE LYS 30 8.174 -14.827 -15.097 255 HE3 LYS 30 1HE LYS 30 8.955 -13.416 -14.380 256 HZ1 LYS 30 3HZ LYS 30 7.376 -13.417 -12.608 257 HZ2 LYS 30 1HZ LYS 30 7.996 -14.991 -12.737 258 HZ3 LYS 30 2HZ LYS 30 6.453 -14.630 -13.344 259 H SER 31 HN SER 31 3.469 -9.661 -13.262 260 HA SER 31 HA SER 31 1.477 -9.179 -15.195 261 HB2 SER 31 2HB SER 31 1.296 -8.848 -12.189 262 HB3 SER 31 1HB SER 31 -0.056 -9.070 -13.299 263 HG SER 31 HG SER 31 0.468 -11.046 -12.355 264 H ILE 32 HN ILE 32 3.152 -7.092 -12.909 265 HA ILE 32 HA ILE 32 1.604 -4.759 -13.478 266 HB ILE 32 HB ILE 32 4.363 -4.989 -12.255 267 HG12 ILE 32 2HG1 ILE 32 2.685 -6.171 -10.940 268 HG13 ILE 32 1HG1 ILE 32 3.172 -4.696 -10.105 269 HG21 ILE 32 1HG2 ILE 32 2.434 -2.671 -12.274 270 HG22 ILE 32 2HG2 ILE 32 3.971 -2.757 -13.133 271 HG23 ILE 32 3HG2 ILE 32 3.947 -2.736 -11.369 272 HD11 ILE 32 3HD1 ILE 32 0.636 -5.131 -11.670 273 HD12 ILE 32 1HD1 ILE 32 1.127 -3.599 -10.950 274 HD13 ILE 32 2HD1 ILE 32 0.795 -4.988 -9.919 275 H GLY 33 HN GLY 33 4.743 -5.995 -14.558 276 HA2 GLY 33 2HA GLY 33 5.327 -5.704 -16.903 277 HA3 GLY 33 1HA GLY 33 4.584 -4.112 -16.827 278 H VAL 34 HN VAL 34 6.743 -5.556 -14.441 279 HA VAL 34 HA VAL 34 8.807 -3.603 -15.199 280 HB VAL 34 HB VAL 34 9.309 -3.232 -12.802 281 HG11 VAL 34 1HG1 VAL 34 7.958 -1.613 -14.001 282 HG12 VAL 34 2HG1 VAL 34 7.397 -1.755 -12.334 283 HG13 VAL 34 3HG1 VAL 34 6.498 -2.535 -13.638 284 HG21 VAL 34 3HG2 VAL 34 6.733 -4.730 -12.319 285 HG22 VAL 34 1HG2 VAL 34 7.665 -3.865 -11.097 286 HG23 VAL 34 2HG2 VAL 34 8.351 -5.284 -11.888 287 H SER 35 HN SER 35 10.887 -4.157 -13.857 288 HA SER 35 HA SER 35 11.396 -6.998 -14.275 289 HB2 SER 35 2HB SER 35 13.312 -4.733 -13.662 290 HB3 SER 35 1HB SER 35 13.758 -6.375 -14.124 291 HG SER 35 HG SER 35 12.257 -5.793 -16.036 292 HA PRO 36 HA PRO 36 11.263 -8.232 -10.076 293 HB2 PRO 36 2HB PRO 36 13.631 -9.666 -9.858 294 HB3 PRO 36 1HB PRO 36 12.105 -10.296 -10.478 295 HG2 PRO 36 2HG PRO 36 14.477 -9.268 -11.971 296 HG3 PRO 36 1HG PRO 36 13.419 -10.639 -12.352 297 HD2 PRO 36 2HD PRO 36 13.200 -8.308 -13.649 298 HD3 PRO 36 1HD PRO 36 11.765 -9.275 -13.240 299 H GLN 37 HN GLN 37 14.374 -6.910 -11.137 300 HA GLN 37 HA GLN 37 15.343 -6.251 -8.563 301 HB2 GLN 37 2HB GLN 37 15.995 -5.197 -11.309 302 HB3 GLN 37 1HB GLN 37 16.820 -4.644 -9.858 303 HG2 GLN 37 2HG GLN 37 16.703 -7.520 -10.723 304 HG3 GLN 37 1HG GLN 37 18.009 -6.413 -11.150 305 HE21 GLN 37 1HE2 GLN 37 19.391 -5.672 -9.546 306 HE22 GLN 37 2HE2 GLN 37 19.542 -6.475 -8.018 307 H THR 38 HN THR 38 13.213 -4.621 -10.801 308 HA THR 38 HA THR 38 13.289 -2.071 -9.508 309 HB THR 38 HB THR 38 11.106 -3.185 -11.292 310 HG1 THR 38 1HG THR 38 13.480 -2.996 -12.070 311 HG21 THR 38 3HG2 THR 38 10.472 -1.160 -10.062 312 HG22 THR 38 1HG2 THR 38 10.636 -0.835 -11.787 313 HG23 THR 38 2HG2 THR 38 11.908 -0.339 -10.672 314 H PHE 39 HN PHE 39 11.270 -4.936 -9.345 315 HA PHE 39 HA PHE 39 9.353 -3.865 -7.539 316 HB2 PHE 39 2HB PHE 39 9.203 -5.923 -9.115 317 HB3 PHE 39 1HB PHE 39 9.997 -6.789 -7.805 318 HD1 PHE 39 2HD PHE 39 8.847 -7.210 -5.713 319 HD2 PHE 39 1HD PHE 39 6.931 -5.147 -8.903 320 HE1 PHE 39 2HE PHE 39 6.668 -7.565 -4.630 321 HE2 PHE 39 1HE PHE 39 4.749 -5.499 -7.823 322 HZ PHE 39 HZ PHE 39 4.617 -6.713 -5.686 323 H ASN 40 HN ASN 40 12.376 -5.583 -7.221 324 HA ASN 40 HA ASN 40 12.267 -6.320 -4.536 325 HB2 ASN 40 2HB ASN 40 13.955 -7.241 -5.953 326 HB3 ASN 40 1HB ASN 40 14.592 -5.650 -6.338 327 HD21 ASN 40 1HD2 ASN 40 16.025 -4.691 -4.972 328 HD22 ASN 40 2HD2 ASN 40 16.710 -5.478 -3.595 329 H THR 41 HN THR 41 13.366 -3.284 -6.009 330 HA THR 41 HA THR 41 14.359 -2.202 -3.568 331 HB THR 41 HB THR 41 14.296 -0.006 -4.847 332 HG1 THR 41 1HG THR 41 14.146 -0.854 -7.284 333 HG21 THR 41 3HG2 THR 41 15.749 -2.344 -6.090 334 HG22 THR 41 1HG2 THR 41 16.304 -1.391 -4.714 335 HG23 THR 41 2HG2 THR 41 16.164 -0.643 -6.306 336 H TRP 42 HN TRP 42 11.239 -2.229 -5.137 337 HA TRP 42 HA TRP 42 10.048 -0.196 -3.544 338 HB2 TRP 42 2HB TRP 42 8.728 -2.561 -4.900 339 HB3 TRP 42 1HB TRP 42 7.896 -1.151 -4.258 340 HD1 TRP 42 1HD TRP 42 10.498 0.653 -5.679 341 HE1 TRP 42 1HE TRP 42 10.124 1.257 -8.152 342 HE3 TRP 42 3HE TRP 42 6.824 -2.725 -6.789 343 HZ2 TRP 42 2HZ TRP 42 8.476 0.420 -10.283 344 HZ3 TRP 42 3HZ TRP 42 5.901 -2.753 -9.069 345 HH2 TRP 42 2HH TRP 42 6.713 -1.213 -10.775 346 H CYS 43 HN CYS 43 10.263 -3.704 -3.297 347 HA CYS 43 HA CYS 43 8.640 -3.960 -0.998 348 HB2 CYS 43 2HB CYS 43 9.168 -5.788 -2.621 349 HB3 CYS 43 1HB CYS 43 10.799 -5.843 -1.963 350 HG CYS 43 HG CYS 43 8.186 -6.243 0.155 351 H LYS 44 HN LYS 44 12.017 -3.246 -1.467 352 HA LYS 44 HA LYS 44 12.630 -3.604 1.336 353 HB2 LYS 44 2HB LYS 44 14.212 -2.811 -1.087 354 HB3 LYS 44 1HB LYS 44 14.866 -2.607 0.527 355 HG2 LYS 44 2HG LYS 44 14.498 -5.026 0.930 356 HG3 LYS 44 1HG LYS 44 14.004 -5.181 -0.759 357 HD2 LYS 44 2HD LYS 44 16.172 -4.479 -1.518 358 HD3 LYS 44 1HD LYS 44 16.674 -4.099 0.131 359 HE2 LYS 44 2HE LYS 44 16.391 -6.495 0.714 360 HE3 LYS 44 1HE LYS 44 16.037 -6.830 -0.981 361 HZ1 LYS 44 3HZ LYS 44 18.225 -6.115 -1.592 362 HZ2 LYS 44 1HZ LYS 44 18.371 -7.259 -0.348 363 HZ3 LYS 44 2HZ LYS 44 18.568 -5.605 -0.014 364 H GLY 45 HN GLY 45 11.027 -1.316 -0.328 365 HA2 GLY 45 2HA GLY 45 10.413 0.841 0.145 366 HA3 GLY 45 1HA GLY 45 11.122 0.600 1.731 367 H ILE 46 HN ILE 46 12.847 0.390 -1.318 368 HA ILE 46 HA ILE 46 14.704 2.423 -0.364 369 HB ILE 46 HB ILE 46 14.831 0.723 -2.865 370 HG12 ILE 46 2HG1 ILE 46 16.219 0.359 -0.202 371 HG13 ILE 46 1HG1 ILE 46 14.876 -0.618 -0.791 372 HG21 ILE 46 1HG2 ILE 46 16.932 2.414 -1.513 373 HG22 ILE 46 2HG2 ILE 46 16.150 2.751 -3.058 374 HG23 ILE 46 3HG2 ILE 46 17.207 1.349 -2.892 375 HD11 ILE 46 3HD1 ILE 46 17.589 -0.416 -2.077 376 HD12 ILE 46 1HD1 ILE 46 16.251 -1.429 -2.620 377 HD13 ILE 46 2HD1 ILE 46 17.020 -1.744 -1.065 378 H ALA 47 HN ALA 47 12.286 1.934 -2.853 379 HA ALA 47 HA ALA 47 12.381 4.762 -3.505 380 HB1 ALA 47 1HB ALA 47 12.730 2.673 -5.656 381 HB2 ALA 47 2HB ALA 47 13.995 3.744 -5.056 382 HB3 ALA 47 3HB ALA 47 12.599 4.416 -5.898 383 H ILE 48 HN ILE 48 10.488 5.538 -4.460 384 HA ILE 48 HA ILE 48 8.243 3.630 -4.515 385 HB ILE 48 HB ILE 48 8.251 6.630 -4.144 386 HG12 ILE 48 2HG1 ILE 48 7.285 4.381 -2.367 387 HG13 ILE 48 1HG1 ILE 48 8.777 5.287 -2.145 388 HG21 ILE 48 1HG2 ILE 48 6.389 6.057 -5.585 389 HG22 ILE 48 2HG2 ILE 48 5.797 6.478 -3.978 390 HG23 ILE 48 3HG2 ILE 48 5.886 4.787 -4.468 391 HD11 ILE 48 3HD1 ILE 48 5.992 6.425 -2.013 392 HD12 ILE 48 1HD1 ILE 48 7.490 7.324 -1.770 393 HD13 ILE 48 2HD1 ILE 48 7.029 6.054 -0.635 394 HA PRO 49 HA PRO 49 8.375 3.958 -8.951 395 HB2 PRO 49 2HB PRO 49 5.873 2.920 -9.384 396 HB3 PRO 49 1HB PRO 49 7.306 1.939 -9.066 397 HG2 PRO 49 2HG PRO 49 5.152 2.810 -7.178 398 HG3 PRO 49 1HG PRO 49 5.939 1.228 -7.326 399 HD2 PRO 49 2HD PRO 49 6.631 2.956 -5.395 400 HD3 PRO 49 1HD PRO 49 7.839 1.926 -6.195 401 H ARG 50 HN ARG 50 7.091 4.958 -10.684 402 HA ARG 50 HA ARG 50 6.011 7.473 -9.835 403 HB2 ARG 50 2HB ARG 50 6.149 6.228 -12.585 404 HB3 ARG 50 1HB ARG 50 5.658 7.881 -12.257 405 HG2 ARG 50 2HG ARG 50 8.374 6.686 -11.743 406 HG3 ARG 50 1HG ARG 50 7.949 7.810 -13.032 407 HD2 ARG 50 2HD ARG 50 8.972 9.153 -11.408 408 HD3 ARG 50 1HD ARG 50 7.247 9.410 -11.157 409 HE ARG 50 HE ARG 50 8.619 7.396 -9.523 410 HH11 ARG 50 1HH1 ARG 50 7.120 10.547 -9.765 411 HH12 ARG 50 2HH1 ARG 50 6.898 10.730 -8.051 412 HH21 ARG 50 1HH2 ARG 50 8.319 7.613 -7.258 413 HH22 ARG 50 2HH2 ARG 50 7.606 9.066 -6.629 414 H MET 51 HN MET 51 3.896 8.225 -10.952 415 HA MET 51 HA MET 51 1.821 6.997 -9.584 416 HB2 MET 51 2HB MET 51 1.719 9.306 -10.349 417 HB3 MET 51 1HB MET 51 1.672 8.774 -12.025 418 HG2 MET 51 2HG MET 51 -0.479 7.659 -11.577 419 HG3 MET 51 1HG MET 51 -0.431 8.280 -9.928 420 HE1 MET 51 3HE MET 51 0.701 10.102 -13.252 421 HE2 MET 51 1HE MET 51 -0.800 10.916 -13.702 422 HE3 MET 51 2HE MET 51 -0.712 9.157 -13.718 423 H GLY 52 HN GLY 52 2.846 6.523 -12.923 424 HA2 GLY 52 2HA GLY 52 0.620 5.075 -13.832 425 HA3 GLY 52 1HA GLY 52 2.239 4.984 -14.510 426 H LYS 53 HN LYS 53 3.366 4.070 -11.924 427 HA LYS 53 HA LYS 53 2.666 1.263 -12.288 428 HB2 LYS 53 2HB LYS 53 5.013 2.638 -10.994 429 HB3 LYS 53 1HB LYS 53 4.747 0.904 -10.873 430 HG2 LYS 53 2HG LYS 53 4.942 0.629 -13.227 431 HG3 LYS 53 1HG LYS 53 4.944 2.372 -13.487 432 HD2 LYS 53 2HD LYS 53 7.080 2.560 -12.337 433 HD3 LYS 53 1HD LYS 53 7.072 0.825 -12.008 434 HE2 LYS 53 2HE LYS 53 8.488 1.469 -13.948 435 HE3 LYS 53 1HE LYS 53 7.215 0.318 -14.347 436 HZ1 LYS 53 3HZ LYS 53 7.031 3.250 -14.797 437 HZ2 LYS 53 1HZ LYS 53 5.907 2.076 -15.293 438 HZ3 LYS 53 2HZ LYS 53 7.455 2.120 -15.991 439 H VAL 54 HN VAL 54 2.679 3.761 -9.800 440 HA VAL 54 HA VAL 54 2.007 2.111 -7.613 441 HB VAL 54 HB VAL 54 1.213 4.995 -8.094 442 HG11 VAL 54 1HG1 VAL 54 0.959 5.129 -5.663 443 HG12 VAL 54 2HG1 VAL 54 1.293 3.402 -5.531 444 HG13 VAL 54 3HG1 VAL 54 -0.158 3.959 -6.365 445 HG21 VAL 54 3HG2 VAL 54 3.569 3.838 -6.605 446 HG22 VAL 54 1HG2 VAL 54 3.143 5.549 -6.698 447 HG23 VAL 54 2HG2 VAL 54 3.629 4.680 -8.157 448 H GLN 55 HN GLN 55 0.012 3.838 -9.977 449 HA GLN 55 HA GLN 55 -2.481 3.017 -8.958 450 HB2 GLN 55 2HB GLN 55 -2.284 4.868 -10.515 451 HB3 GLN 55 1HB GLN 55 -1.667 3.794 -11.759 452 HG2 GLN 55 2HG GLN 55 -4.015 4.429 -12.095 453 HG3 GLN 55 1HG GLN 55 -3.785 2.690 -11.942 454 HE21 GLN 55 1HE2 GLN 55 -5.956 2.401 -11.385 455 HE22 GLN 55 2HE2 GLN 55 -6.575 2.846 -9.831 456 H ALA 56 HN ALA 56 -0.246 1.544 -11.254 457 HA ALA 56 HA ALA 56 -1.925 -0.542 -12.140 458 HB1 ALA 56 1HB ALA 56 0.122 0.101 -13.318 459 HB2 ALA 56 2HB ALA 56 0.128 -1.615 -12.914 460 HB3 ALA 56 3HB ALA 56 1.088 -0.483 -11.962 461 H LEU 57 HN LEU 57 0.368 -0.317 -9.450 462 HA LEU 57 HA LEU 57 0.213 -2.968 -8.558 463 HB2 LEU 57 2HB LEU 57 0.703 -0.401 -7.041 464 HB3 LEU 57 1HB LEU 57 0.891 -1.994 -6.343 465 HG LEU 57 HG LEU 57 2.470 -0.964 -8.699 466 HD11 LEU 57 1HD1 LEU 57 3.254 -1.244 -5.800 467 HD12 LEU 57 2HD1 LEU 57 3.015 0.269 -6.675 468 HD13 LEU 57 3HD1 LEU 57 4.337 -0.809 -7.122 469 HD21 LEU 57 3HD2 LEU 57 2.231 -3.387 -8.697 470 HD22 LEU 57 1HD2 LEU 57 2.776 -3.454 -7.022 471 HD23 LEU 57 2HD2 LEU 57 3.882 -2.924 -8.289 472 H ALA 58 HN ALA 58 -1.598 -0.096 -7.512 473 HA ALA 58 HA ALA 58 -3.233 -1.445 -5.651 474 HB1 ALA 58 1HB ALA 58 -2.889 0.973 -5.607 475 HB2 ALA 58 2HB ALA 58 -4.605 0.571 -5.670 476 HB3 ALA 58 3HB ALA 58 -3.774 1.127 -7.123 477 H ASP 59 HN ASP 59 -3.600 -0.741 -9.066 478 HA ASP 59 HA ASP 59 -6.319 -1.454 -9.327 479 HB2 ASP 59 2HB ASP 59 -4.934 -0.112 -10.952 480 HB3 ASP 59 1HB ASP 59 -4.177 -1.617 -11.452 481 H TYR 60 HN TYR 60 -3.338 -3.291 -9.482 482 HA TYR 60 HA TYR 60 -4.543 -5.661 -10.541 483 HB2 TYR 60 2HB TYR 60 -2.104 -5.017 -10.736 484 HB3 TYR 60 1HB TYR 60 -1.928 -5.472 -9.046 485 HD1 TYR 60 2HD TYR 60 -2.878 -6.792 -12.384 486 HD2 TYR 60 1HD TYR 60 -1.591 -7.722 -8.436 487 HE1 TYR 60 2HE TYR 60 -2.520 -9.127 -13.058 488 HE2 TYR 60 1HE TYR 60 -1.232 -10.065 -9.101 489 HH TYR 60 HH TYR 60 -2.132 -11.633 -10.888 490 H PHE 61 HN PHE 61 -3.838 -4.450 -7.321 491 HA PHE 61 HA PHE 61 -4.544 -6.976 -6.065 492 HB2 PHE 61 2HB PHE 61 -3.652 -4.305 -5.000 493 HB3 PHE 61 1HB PHE 61 -4.284 -5.548 -3.933 494 HD1 PHE 61 1HD PHE 61 -3.103 -7.779 -3.849 495 HD2 PHE 61 2HD PHE 61 -1.431 -4.335 -5.703 496 HE1 PHE 61 1HE PHE 61 -0.861 -8.778 -3.669 497 HE2 PHE 61 2HE PHE 61 0.814 -5.326 -5.534 498 HZ PHE 61 HZ PHE 61 1.103 -7.550 -4.511 499 H ASN 62 HN ASN 62 -6.242 -4.519 -7.391 500 HA ASN 62 HA ASN 62 -8.311 -3.634 -7.221 501 HB2 ASN 62 2HB ASN 62 -8.934 -6.067 -7.280 502 HB3 ASN 62 1HB ASN 62 -8.965 -6.049 -5.522 503 HD21 ASN 62 1HD2 ASN 62 -10.595 -5.062 -8.430 504 HD22 ASN 62 2HD2 ASN 62 -12.061 -4.540 -7.667 505 H ILE 63 HN ILE 63 -6.705 -2.318 -5.729 506 HA ILE 63 HA ILE 63 -8.253 -1.706 -3.316 507 HB ILE 63 HB ILE 63 -6.179 -1.254 -2.041 508 HG12 ILE 63 2HG1 ILE 63 -4.773 -2.708 -4.295 509 HG13 ILE 63 1HG1 ILE 63 -4.681 -0.972 -4.008 510 HG21 ILE 63 1HG2 ILE 63 -6.460 -4.098 -2.999 511 HG22 ILE 63 2HG2 ILE 63 -7.366 -3.340 -1.689 512 HG23 ILE 63 3HG2 ILE 63 -5.626 -3.588 -1.528 513 HD11 ILE 63 3HD1 ILE 63 -2.708 -2.076 -3.164 514 HD12 ILE 63 1HD1 ILE 63 -3.696 -3.151 -2.174 515 HD13 ILE 63 2HD1 ILE 63 -3.647 -1.423 -1.821 516 H ASN 64 HN ASN 64 -7.297 0.483 -2.396 517 HA ASN 64 HA ASN 64 -7.261 2.333 -4.666 518 HB2 ASN 64 2HB ASN 64 -7.385 3.060 -1.731 519 HB3 ASN 64 1HB ASN 64 -7.846 4.050 -3.108 520 HD21 ASN 64 1HD2 ASN 64 -8.758 1.458 -1.001 521 HD22 ASN 64 2HD2 ASN 64 -10.423 1.380 -1.483 522 H LYS 65 HN LYS 65 -5.572 3.837 -4.972 523 HA LYS 65 HA LYS 65 -2.995 3.062 -4.166 524 HB2 LYS 65 2HB LYS 65 -2.238 5.259 -5.012 525 HB3 LYS 65 1HB LYS 65 -3.287 4.423 -6.146 526 HG2 LYS 65 2HG LYS 65 -5.098 5.864 -5.682 527 HG3 LYS 65 1HG LYS 65 -4.283 6.545 -4.271 528 HD2 LYS 65 2HD LYS 65 -2.612 7.572 -5.685 529 HD3 LYS 65 1HD LYS 65 -3.306 6.806 -7.115 530 HE2 LYS 65 2HE LYS 65 -4.826 8.717 -5.353 531 HE3 LYS 65 1HE LYS 65 -3.905 9.230 -6.766 532 HZ1 LYS 65 3HZ LYS 65 -6.146 7.278 -6.807 533 HZ2 LYS 65 1HZ LYS 65 -5.288 7.852 -8.154 534 HZ3 LYS 65 2HZ LYS 65 -6.261 8.910 -7.257 535 H SER 66 HN SER 66 -5.362 5.153 -2.715 536 HA SER 66 HA SER 66 -3.794 6.499 -0.845 537 HB2 SER 66 2HB SER 66 -6.635 5.537 -0.460 538 HB3 SER 66 1HB SER 66 -5.858 6.898 0.348 539 HG SER 66 HG SER 66 -7.161 7.587 -1.401 540 H ASP 67 HN ASP 67 -4.916 3.192 -0.911 541 HA ASP 67 HA ASP 67 -4.588 2.641 1.860 542 HB2 ASP 67 2HB ASP 67 -4.632 0.810 -0.544 543 HB3 ASP 67 1HB ASP 67 -4.541 0.233 1.116 544 H LEU 68 HN LEU 68 -2.408 2.881 -0.803 545 HA LEU 68 HA LEU 68 -0.285 1.468 0.612 546 HB2 LEU 68 2HB LEU 68 -0.341 2.757 -2.114 547 HB3 LEU 68 1HB LEU 68 1.019 1.872 -1.454 548 HG LEU 68 HG LEU 68 -1.701 0.705 -2.044 549 HD11 LEU 68 1HD1 LEU 68 0.932 0.444 -3.492 550 HD12 LEU 68 2HD1 LEU 68 -0.516 1.258 -4.083 551 HD13 LEU 68 3HD1 LEU 68 -0.523 -0.489 -3.845 552 HD21 LEU 68 3HD2 LEU 68 0.860 -0.595 -1.118 553 HD22 LEU 68 1HD2 LEU 68 -0.604 -1.449 -1.608 554 HD23 LEU 68 2HD2 LEU 68 -0.623 -0.416 -0.179 555 H ILE 69 HN ILE 69 -1.387 4.670 0.018 556 HA ILE 69 HA ILE 69 1.211 5.889 0.467 557 HB ILE 69 HB ILE 69 -1.483 7.176 -0.008 558 HG12 ILE 69 2HG1 ILE 69 -0.699 5.883 -1.935 559 HG13 ILE 69 1HG1 ILE 69 -0.619 7.608 -2.272 560 HG21 ILE 69 1HG2 ILE 69 1.272 8.396 -0.013 561 HG22 ILE 69 2HG2 ILE 69 0.038 8.641 1.222 562 HG23 ILE 69 3HG2 ILE 69 -0.228 9.230 -0.421 563 HD11 ILE 69 3HD1 ILE 69 1.703 5.848 -1.503 564 HD12 ILE 69 1HD1 ILE 69 1.785 7.575 -1.856 565 HD13 ILE 69 2HD1 ILE 69 1.332 6.436 -3.126 566 H GLU 70 HN GLU 70 -1.922 5.644 2.126 567 HA GLU 70 HA GLU 70 -0.979 7.301 4.297 568 HB2 GLU 70 2HB GLU 70 -3.598 5.861 3.888 569 HB3 GLU 70 1HB GLU 70 -3.250 7.015 5.157 570 HG2 GLU 70 2HG GLU 70 -2.910 8.768 3.522 571 HG3 GLU 70 1HG GLU 70 -3.199 7.621 2.216 572 H ASP 71 HN ASP 71 -0.906 6.616 6.463 573 HA ASP 71 HA ASP 71 0.512 4.184 6.778 574 HB2 ASP 71 2HB ASP 71 0.791 6.345 8.107 575 HB3 ASP 71 1HB ASP 71 -0.651 5.875 8.997 576 H LYS 72 HN LYS 72 -0.041 2.388 8.145 577 HA LYS 72 HA LYS 72 -2.779 1.558 7.826 578 HB2 LYS 72 2HB LYS 72 -0.322 0.212 8.933 579 HB3 LYS 72 1HB LYS 72 -1.908 -0.544 8.999 580 HG2 LYS 72 2HG LYS 72 -2.052 -0.373 6.539 581 HG3 LYS 72 1HG LYS 72 -0.414 0.281 6.519 582 HD2 LYS 72 2HD LYS 72 -1.146 -2.400 7.681 583 HD3 LYS 72 1HD LYS 72 -0.566 -2.166 6.032 584 HE2 LYS 72 2HE LYS 72 1.524 -1.289 6.836 585 HE3 LYS 72 1HE LYS 72 0.946 -1.325 8.501 586 HZ1 LYS 72 3HZ LYS 72 2.428 -3.202 7.891 587 HZ2 LYS 72 1HZ LYS 72 1.246 -3.745 6.801 588 HZ3 LYS 72 2HZ LYS 72 0.908 -3.695 8.461 589 H LYS 73 HN LYS 73 -2.589 3.769 9.500 590 HA LYS 73 HA LYS 73 -2.931 2.914 12.240 591 HB2 LYS 73 2HB LYS 73 -3.337 5.568 10.847 592 HB3 LYS 73 1HB LYS 73 -3.580 5.315 12.565 593 HG2 LYS 73 2HG LYS 73 -0.977 4.878 11.124 594 HG3 LYS 73 1HG LYS 73 -1.402 6.333 12.028 595 HD2 LYS 73 2HD LYS 73 -1.696 4.920 14.052 596 HD3 LYS 73 1HD LYS 73 -1.116 3.535 13.124 597 HE2 LYS 73 2HE LYS 73 0.430 6.083 13.572 598 HE3 LYS 73 1HE LYS 73 0.635 4.609 14.515 599 HZ1 LYS 73 3HZ LYS 73 2.136 5.154 12.449 600 HZ2 LYS 73 1HZ LYS 73 0.872 4.409 11.601 601 HZ3 LYS 73 2HZ LYS 73 1.695 3.560 12.820 602 H LEU 74 HN LEU 74 -4.620 1.458 10.780 603 HA LEU 74 HA LEU 74 -7.094 2.675 10.152 604 HB2 LEU 74 2HB LEU 74 -6.326 -0.223 10.442 605 HB3 LEU 74 1HB LEU 74 -7.849 0.348 9.803 606 HG LEU 74 HG LEU 74 -5.139 0.853 8.577 607 HD11 LEU 74 1HD1 LEU 74 -7.405 -0.922 7.683 608 HD12 LEU 74 2HD1 LEU 74 -5.870 -1.463 8.359 609 HD13 LEU 74 3HD1 LEU 74 -5.904 -0.632 6.805 610 HD21 LEU 74 3HD2 LEU 74 -7.899 1.581 7.604 611 HD22 LEU 74 1HD2 LEU 74 -6.399 1.790 6.700 612 HD23 LEU 74 2HD2 LEU 74 -6.670 2.704 8.183 613 H ASN 75 HN ASN 75 -7.275 3.680 12.329 614 HA ASN 75 HA ASN 75 -9.048 1.970 13.948 615 HB2 ASN 75 2HB ASN 75 -7.135 2.871 15.254 616 HB3 ASN 75 1HB ASN 75 -7.612 4.505 14.799 617 HD21 ASN 75 1HD2 ASN 75 -8.331 1.764 16.807 618 HD22 ASN 75 2HD2 ASN 75 -9.530 2.543 17.785 619 H ILE 76 HN ILE 76 -11.044 2.312 13.231 620 HA ILE 76 HA ILE 76 -11.794 4.415 11.569 621 HB ILE 76 HB ILE 76 -13.651 2.722 13.239 622 HG12 ILE 76 2HG1 ILE 76 -12.126 1.329 11.911 623 HG13 ILE 76 1HG1 ILE 76 -13.766 1.241 11.277 624 HG21 ILE 76 1HG2 ILE 76 -14.736 4.673 12.276 625 HG22 ILE 76 2HG2 ILE 76 -15.294 3.197 11.487 626 HG23 ILE 76 3HG2 ILE 76 -14.124 4.242 10.680 627 HD11 ILE 76 3HD1 ILE 76 -13.161 2.803 9.501 628 HD12 ILE 76 1HD1 ILE 76 -12.123 1.378 9.492 629 HD13 ILE 76 2HD1 ILE 76 -11.524 2.900 10.147 630 H ASP 77 HN ASP 77 -12.435 6.384 11.890 631 HA ASP 77 HA ASP 77 -13.581 7.253 14.405 632 HB2 ASP 77 2HB ASP 77 -11.189 7.823 14.596 633 HB3 ASP 77 1HB ASP 77 -11.248 8.631 13.033 634 H THR 78 HN THR 78 -15.280 8.387 13.996 635 HA THR 78 HA THR 78 -16.592 8.353 11.648 636 HB THR 78 HB THR 78 -17.740 8.856 13.704 637 HG1 THR 78 1HG THR 78 -19.135 10.449 12.894 638 HG21 THR 78 3HG2 THR 78 -16.110 10.283 14.801 639 HG22 THR 78 1HG2 THR 78 -17.672 11.105 14.717 640 HG23 THR 78 2HG2 THR 78 -16.378 11.549 13.601 641 H VAL 79 HN VAL 79 -16.576 9.322 9.794 642 HA VAL 79 HA VAL 79 -14.894 11.705 9.456 643 HB VAL 79 HB VAL 79 -13.689 9.882 8.511 644 HG11 VAL 79 1HG1 VAL 79 -15.468 8.246 8.345 645 HG12 VAL 79 2HG1 VAL 79 -14.614 8.379 6.808 646 HG13 VAL 79 3HG1 VAL 79 -16.192 9.138 7.008 647 HG21 VAL 79 3HG2 VAL 79 -13.588 10.475 6.121 648 HG22 VAL 79 1HG2 VAL 79 -13.623 11.891 7.172 649 HG23 VAL 79 2HG2 VAL 79 -15.079 11.399 6.308 650 HA PRO 80 HA PRO 80 -19.101 13.055 8.163 651 HB2 PRO 80 2HB PRO 80 -17.656 15.633 8.494 652 HB3 PRO 80 1HB PRO 80 -19.255 15.158 9.079 653 HG2 PRO 80 2HG PRO 80 -17.194 15.336 10.753 654 HG3 PRO 80 1HG PRO 80 -18.391 14.038 10.921 655 HD2 PRO 80 2HD PRO 80 -15.629 13.938 9.775 656 HD3 PRO 80 1HD PRO 80 -16.477 12.746 10.782 657 H ILE 81 HN ILE 81 -19.441 12.952 6.051 658 HA ILE 81 HA ILE 81 -17.668 14.443 4.250 659 HB ILE 81 HB ILE 81 -17.122 12.084 4.032 660 HG12 ILE 81 2HG1 ILE 81 -18.761 12.987 1.658 661 HG13 ILE 81 1HG1 ILE 81 -17.128 13.536 2.016 662 HG21 ILE 81 1HG2 ILE 81 -18.783 10.451 3.237 663 HG22 ILE 81 2HG2 ILE 81 -20.044 11.671 3.420 664 HG23 ILE 81 3HG2 ILE 81 -19.169 11.086 4.836 665 HD11 ILE 81 3HD1 ILE 81 -17.924 10.691 1.448 666 HD12 ILE 81 1HD1 ILE 81 -16.290 11.280 1.741 667 HD13 ILE 81 2HD1 ILE 81 -17.170 11.797 0.303 668 H GLU 82 HN GLU 82 -18.653 15.489 2.566 669 HA GLU 82 HA GLU 82 -21.450 16.067 3.022 670 HB2 GLU 82 2HB GLU 82 -19.442 17.252 1.096 671 HB3 GLU 82 1HB GLU 82 -21.097 17.822 1.277 672 HG2 GLU 82 2HG GLU 82 -20.695 18.473 3.541 673 HG3 GLU 82 1HG GLU 82 -19.098 17.727 3.521 674 H SER 83 HN SER 83 -21.904 13.765 2.404 675 HA SER 83 HA SER 83 -23.263 13.723 -0.063 676 HB2 SER 83 2HB SER 83 -21.981 11.754 -1.044 677 HB3 SER 83 1HB SER 83 -21.165 13.313 -1.139 678 HG SER 83 HG SER 83 -19.786 12.709 0.420 679 H GLY 84 HN GLY 84 -23.960 11.256 -0.478 680 HA2 GLY 84 2HA GLY 84 -24.946 10.344 2.122 681 HA3 GLY 84 1HA GLY 84 -25.555 9.856 0.547 682 H TYR 85 HN TYR 85 -22.463 9.736 2.299 683 HA TYR 85 HA TYR 85 -21.971 7.082 1.166 684 HB2 TYR 85 2HB TYR 85 -20.278 9.112 1.262 685 HB3 TYR 85 1HB TYR 85 -20.000 8.527 2.900 686 HD1 TYR 85 2HD TYR 85 -19.863 7.575 -0.671 687 HD2 TYR 85 1HD TYR 85 -18.643 6.615 3.290 688 HE1 TYR 85 2HE TYR 85 -18.301 5.904 -1.565 689 HE2 TYR 85 1HE TYR 85 -17.078 4.935 2.406 690 HH TYR 85 HH TYR 85 -16.287 4.727 -0.930 691 H THR 86 HN THR 86 -21.480 5.293 2.511 692 HA THR 86 HA THR 86 -22.973 5.294 4.965 693 HB THR 86 HB THR 86 -23.041 3.352 3.465 694 HG1 THR 86 1HG THR 86 -23.441 2.934 5.648 695 HG21 THR 86 3HG2 THR 86 -21.131 1.822 3.306 696 HG22 THR 86 1HG2 THR 86 -20.144 2.958 4.224 697 HG23 THR 86 2HG2 THR 86 -20.744 3.403 2.626 698 H LEU 87 HN LEU 87 -22.256 5.284 7.020 699 HA LEU 87 HA LEU 87 -19.409 4.883 7.539 700 HB2 LEU 87 2HB LEU 87 -19.247 6.776 9.025 701 HB3 LEU 87 1HB LEU 87 -19.736 7.325 7.436 702 HG LEU 87 HG LEU 87 -21.760 6.887 9.619 703 HD11 LEU 87 1HD1 LEU 87 -20.044 8.404 10.486 704 HD12 LEU 87 2HD1 LEU 87 -21.559 9.253 10.174 705 HD13 LEU 87 3HD1 LEU 87 -20.210 9.412 9.048 706 HD21 LEU 87 3HD2 LEU 87 -21.715 8.684 7.193 707 HD22 LEU 87 1HD2 LEU 87 -23.046 8.508 8.339 708 HD23 LEU 87 2HD2 LEU 87 -22.577 7.148 7.315 709 H GLU 88 HN GLU 88 -18.955 4.088 9.623 710 HA GLU 88 HA GLU 88 -21.327 2.931 10.940 711 HB2 GLU 88 2HB GLU 88 -18.697 1.824 10.167 712 HB3 GLU 88 1HB GLU 88 -19.317 1.312 11.731 713 HG2 GLU 88 2HG GLU 88 -20.946 1.134 9.217 714 HG3 GLU 88 1HG GLU 88 -19.862 -0.153 9.748 715 H HIS 89 HN HIS 89 -21.098 2.441 13.237 716 HA HIS 89 HA HIS 89 -19.139 4.100 14.662 717 HB2 HIS 89 2HB HIS 89 -22.118 4.008 15.161 718 HB3 HIS 89 1HB HIS 89 -20.967 4.608 16.350 719 HD1 HIS 89 1HD HIS 89 -22.890 5.601 13.399 720 HD2 HIS 89 2HD HIS 89 -19.573 6.997 15.488 721 HE1 HIS 89 1HE HIS 89 -22.574 7.986 12.660 722 HE2 HIS 89 2HE HIS 89 -20.686 8.865 14.083 723 H HIS 90 HN HIS 90 -18.517 3.291 16.686 724 HA HIS 90 HA HIS 90 -19.125 0.429 17.015 725 HB2 HIS 90 2HB HIS 90 -16.719 2.072 17.807 726 HB3 HIS 90 1HB HIS 90 -16.998 0.447 18.425 727 HD1 HIS 90 1HD HIS 90 -15.187 2.103 15.872 728 HD2 HIS 90 2HD HIS 90 -17.384 -1.427 16.052 729 HE1 HIS 90 1HE HIS 90 -14.374 0.695 13.951 730 HE2 HIS 90 2HE HIS 90 -15.885 -1.324 13.943 731 H HIS 91 HN HIS 91 -18.000 2.990 19.195 732 HA HIS 91 HA HIS 91 -18.625 3.655 21.253 733 HB2 HIS 91 2HB HIS 91 -21.194 2.623 20.199 734 HB3 HIS 91 1HB HIS 91 -21.076 2.837 21.943 735 HD1 HIS 91 1HD HIS 91 -21.284 5.154 22.839 736 HD2 HIS 91 2HD HIS 91 -20.790 5.079 18.704 737 HE1 HIS 91 1HE HIS 91 -21.664 7.519 22.063 738 HE2 HIS 91 2HE HIS 91 -21.466 7.433 19.554 739 H HIS 92 HN HIS 92 -17.258 2.611 22.525 740 HA HIS 92 HA HIS 92 -18.415 0.426 24.073 741 HB2 HIS 92 2HB HIS 92 -15.887 0.287 22.519 742 HB3 HIS 92 1HB HIS 92 -15.831 -0.353 24.159 743 HD1 HIS 92 1HD HIS 92 -16.387 -1.475 20.857 744 HD2 HIS 92 2HD HIS 92 -18.202 -2.240 24.517 745 HE1 HIS 92 1HE HIS 92 -17.593 -3.660 20.573 746 HE2 HIS 92 2HE HIS 92 -18.469 -4.215 22.869 747 H HIS 93 HN HIS 93 -18.148 0.748 26.218 748 HA HIS 93 HA HIS 93 -16.909 3.225 26.995 749 HB2 HIS 93 2HB HIS 93 -17.761 2.731 29.258 750 HB3 HIS 93 1HB HIS 93 -19.017 2.648 28.034 751 HD1 HIS 93 1HD HIS 93 -20.021 0.278 27.523 752 HD2 HIS 93 2HD HIS 93 -17.290 0.393 30.663 753 HE1 HIS 93 1HE HIS 93 -20.335 -1.879 28.785 754 HE2 HIS 93 2HE HIS 93 -18.638 -1.815 30.652 755 H HIS 94 HN HIS 94 -14.836 3.390 27.280 756 HA HIS 94 HA HIS 94 -13.359 1.655 28.998 757 HB2 HIS 94 2HB HIS 94 -13.365 0.251 26.979 758 HB3 HIS 94 1HB HIS 94 -12.751 1.595 26.026 759 HD1 HIS 94 1HD HIS 94 -10.326 1.517 25.640 760 HD2 HIS 94 2HD HIS 94 -11.386 -0.440 29.154 761 HE1 HIS 94 1HE HIS 94 -8.191 0.555 26.549 762 HE2 HIS 94 2HE HIS 94 -8.820 -0.431 28.780 Start of MODEL 2 1 H1 MET 1 H1 MET 1 21.575 3.079 4.356 2 H2 MET 1 H2 MET 1 20.274 2.779 5.394 3 H3 MET 1 H3 MET 1 21.757 3.297 6.029 4 HA MET 1 HA MET 1 20.120 5.073 5.979 5 HB2 MET 1 2HB MET 1 21.547 6.752 5.004 6 HB3 MET 1 1HB MET 1 22.561 5.534 5.759 7 HG2 MET 1 2HG MET 1 21.984 5.740 2.812 8 HG3 MET 1 1HG MET 1 23.444 6.315 3.612 9 HE1 MET 1 2HE MET 1 23.574 4.385 1.108 10 HE2 MET 1 3HE MET 1 24.809 3.248 1.646 11 HE3 MET 1 1HE MET 1 24.988 4.969 1.987 12 H VAL 2 HN VAL 2 19.781 6.946 4.048 13 HA VAL 2 HA VAL 2 18.626 7.571 2.197 14 HB VAL 2 HB VAL 2 18.888 4.732 1.166 15 HG11 VAL 2 1HG1 VAL 2 18.631 5.723 -1.038 16 HG12 VAL 2 2HG1 VAL 2 18.497 7.328 -0.321 17 HG13 VAL 2 3HG1 VAL 2 17.242 6.124 -0.025 18 HG21 VAL 2 3HG2 VAL 2 21.092 5.611 1.708 19 HG22 VAL 2 1HG2 VAL 2 20.753 7.069 0.776 20 HG23 VAL 2 2HG2 VAL 2 20.874 5.509 -0.040 21 H LYS 3 HN LYS 3 17.515 5.825 4.575 22 HA LYS 3 HA LYS 3 14.935 5.109 3.434 23 HB2 LYS 3 2HB LYS 3 16.174 4.676 6.141 24 HB3 LYS 3 1HB LYS 3 14.462 4.397 5.857 25 HG2 LYS 3 2HG LYS 3 15.092 2.783 4.069 26 HG3 LYS 3 1HG LYS 3 16.779 2.997 4.543 27 HD2 LYS 3 2HD LYS 3 16.300 2.165 6.766 28 HD3 LYS 3 1HD LYS 3 14.579 2.065 6.389 29 HE2 LYS 3 2HE LYS 3 15.069 0.393 4.663 30 HE3 LYS 3 1HE LYS 3 16.782 0.482 5.071 31 HZ1 LYS 3 3HZ LYS 3 15.709 -1.415 6.124 32 HZ2 LYS 3 1HZ LYS 3 14.611 -0.389 6.911 33 HZ3 LYS 3 2HZ LYS 3 16.258 -0.318 7.294 34 H ASP 4 HN ASP 4 13.019 6.073 3.968 35 HA ASP 4 HA ASP 4 13.070 8.426 5.715 36 HB2 ASP 4 2HB ASP 4 12.073 8.330 2.869 37 HB3 ASP 4 1HB ASP 4 11.484 9.529 4.013 38 H LYS 5 HN LYS 5 10.790 9.133 6.271 39 HA LYS 5 HA LYS 5 9.430 6.925 7.358 40 HB2 LYS 5 2HB LYS 5 9.359 9.226 8.289 41 HB3 LYS 5 1HB LYS 5 8.345 9.716 6.938 42 HG2 LYS 5 2HG LYS 5 6.963 9.326 8.858 43 HG3 LYS 5 1HG LYS 5 6.651 8.065 7.665 44 HD2 LYS 5 2HD LYS 5 8.235 6.594 8.913 45 HD3 LYS 5 1HD LYS 5 8.335 7.842 10.156 46 HE2 LYS 5 2HE LYS 5 5.854 6.351 9.299 47 HE3 LYS 5 1HE LYS 5 6.741 6.123 10.802 48 HZ1 LYS 5 3HZ LYS 5 4.838 7.473 11.234 49 HZ2 LYS 5 1HZ LYS 5 5.223 8.541 9.975 50 HZ3 LYS 5 2HZ LYS 5 6.207 8.474 11.348 51 H GLN 6 HN GLN 6 8.600 8.998 4.594 52 HA GLN 6 HA GLN 6 6.182 7.822 3.901 53 HB2 GLN 6 2HB GLN 6 8.252 8.979 2.022 54 HB3 GLN 6 1HB GLN 6 6.563 8.709 1.643 55 HG2 GLN 6 2HG GLN 6 6.691 10.984 2.064 56 HG3 GLN 6 1HG GLN 6 6.056 10.313 3.565 57 HE21 GLN 6 1HE2 GLN 6 8.811 11.736 1.997 58 HE22 GLN 6 2HE2 GLN 6 9.689 12.114 3.444 59 H LYS 7 HN LYS 7 9.458 6.992 2.922 60 HA LYS 7 HA LYS 7 8.842 4.912 1.143 61 HB2 LYS 7 2HB LYS 7 11.288 5.313 2.875 62 HB3 LYS 7 1HB LYS 7 11.178 4.181 1.534 63 HG2 LYS 7 2HG LYS 7 10.996 5.928 -0.049 64 HG3 LYS 7 1HG LYS 7 10.753 7.137 1.215 65 HD2 LYS 7 2HD LYS 7 13.022 6.745 2.029 66 HD3 LYS 7 1HD LYS 7 13.267 5.526 0.777 67 HE2 LYS 7 2HE LYS 7 13.098 7.160 -0.952 68 HE3 LYS 7 1HE LYS 7 12.569 8.395 0.189 69 HZ1 LYS 7 3HZ LYS 7 14.706 8.422 1.198 70 HZ2 LYS 7 1HZ LYS 7 14.930 8.575 -0.474 71 HZ3 LYS 7 2HZ LYS 7 15.233 7.094 0.291 72 H ALA 8 HN ALA 8 9.414 4.943 4.629 73 HA ALA 8 HA ALA 8 9.352 2.145 5.006 74 HB1 ALA 8 1HB ALA 8 8.693 4.339 6.967 75 HB2 ALA 8 2HB ALA 8 10.298 3.675 6.662 76 HB3 ALA 8 3HB ALA 8 9.043 2.660 7.373 77 H ILE 9 HN ILE 9 6.833 4.638 5.327 78 HA ILE 9 HA ILE 9 4.781 2.938 6.202 79 HB ILE 9 HB ILE 9 4.511 5.472 4.569 80 HG12 ILE 9 2HG1 ILE 9 4.438 5.052 7.566 81 HG13 ILE 9 1HG1 ILE 9 5.773 5.771 6.673 82 HG21 ILE 9 1HG2 ILE 9 2.496 4.066 6.313 83 HG22 ILE 9 2HG2 ILE 9 2.478 4.117 4.551 84 HG23 ILE 9 3HG2 ILE 9 2.255 5.602 5.477 85 HD11 ILE 9 3HD1 ILE 9 4.320 7.605 5.987 86 HD12 ILE 9 1HD1 ILE 9 4.415 7.466 7.740 87 HD13 ILE 9 2HD1 ILE 9 2.988 6.882 6.887 88 H PHE 10 HN PHE 10 5.603 4.036 2.921 89 HA PHE 10 HA PHE 10 3.547 2.710 1.563 90 HB2 PHE 10 2HB PHE 10 4.881 4.435 0.489 91 HB3 PHE 10 1HB PHE 10 6.326 3.438 0.617 92 HD1 PHE 10 1HD PHE 10 2.935 3.495 -0.906 93 HD2 PHE 10 2HD PHE 10 6.927 2.034 -1.124 94 HE1 PHE 10 1HE PHE 10 2.456 2.527 -3.117 95 HE2 PHE 10 2HE PHE 10 6.457 1.063 -3.336 96 HZ PHE 10 HZ PHE 10 4.218 1.309 -4.336 97 H SER 11 HN SER 11 6.872 1.631 2.250 98 HA SER 11 HA SER 11 6.607 -0.841 0.912 99 HB2 SER 11 2HB SER 11 8.640 -1.490 2.276 100 HB3 SER 11 1HB SER 11 8.812 -0.037 1.295 101 HG SER 11 HG SER 11 8.692 1.210 3.083 102 H GLU 12 HN GLU 12 6.134 0.078 4.318 103 HA GLU 12 HA GLU 12 5.801 -2.447 5.387 104 HB2 GLU 12 2HB GLU 12 4.945 0.309 6.078 105 HB3 GLU 12 1HB GLU 12 4.203 -1.018 6.931 106 HG2 GLU 12 2HG GLU 12 7.147 -0.466 6.770 107 HG3 GLU 12 1HG GLU 12 6.107 -0.134 8.156 108 H ASN 13 HN ASN 13 3.383 -0.252 3.978 109 HA ASN 13 HA ASN 13 1.185 -1.990 4.373 110 HB2 ASN 13 2HB ASN 13 1.625 0.264 2.407 111 HB3 ASN 13 1HB ASN 13 0.102 -0.605 2.551 112 HD21 ASN 13 1HD2 ASN 13 0.678 2.198 2.990 113 HD22 ASN 13 2HD2 ASN 13 0.172 2.538 4.616 114 H LEU 14 HN LEU 14 3.074 -1.270 1.444 115 HA LEU 14 HA LEU 14 1.776 -3.022 -0.280 116 HB2 LEU 14 2HB LEU 14 3.353 -1.251 -0.969 117 HB3 LEU 14 1HB LEU 14 4.682 -2.189 -0.315 118 HG LEU 14 HG LEU 14 4.167 -3.977 -1.981 119 HD11 LEU 14 1HD1 LEU 14 1.827 -3.472 -2.384 120 HD12 LEU 14 2HD1 LEU 14 2.739 -3.395 -3.894 121 HD13 LEU 14 3HD1 LEU 14 2.262 -1.907 -3.073 122 HD21 LEU 14 3HD2 LEU 14 5.936 -2.386 -2.409 123 HD22 LEU 14 1HD2 LEU 14 4.777 -1.225 -3.053 124 HD23 LEU 14 2HD2 LEU 14 5.079 -2.735 -3.909 125 H ASN 15 HN ASN 15 4.613 -3.577 1.763 126 HA ASN 15 HA ASN 15 5.233 -6.150 0.785 127 HB2 ASN 15 2HB ASN 15 6.649 -4.508 2.209 128 HB3 ASN 15 1HB ASN 15 5.827 -5.222 3.588 129 HD21 ASN 15 1HD2 ASN 15 8.645 -5.208 2.725 130 HD22 ASN 15 2HD2 ASN 15 9.120 -6.872 2.675 131 H SER 16 HN SER 16 3.213 -5.056 3.502 132 HA SER 16 HA SER 16 2.849 -7.629 4.601 133 HB2 SER 16 2HB SER 16 1.007 -6.623 5.902 134 HB3 SER 16 1HB SER 16 2.475 -5.649 5.951 135 HG SER 16 HG SER 16 1.391 -4.490 4.088 136 H TYR 17 HN TYR 17 1.034 -5.852 2.143 137 HA TYR 17 HA TYR 17 -1.143 -7.698 2.061 138 HB2 TYR 17 2HB TYR 17 -0.198 -5.859 -0.150 139 HB3 TYR 17 1HB TYR 17 -1.776 -6.618 -0.027 140 HD1 TYR 17 1HD TYR 17 -2.635 -6.080 2.689 141 HD2 TYR 17 2HD TYR 17 -0.458 -3.587 0.014 142 HE1 TYR 17 1HE TYR 17 -3.492 -4.087 3.852 143 HE2 TYR 17 2HE TYR 17 -1.303 -1.593 1.174 144 HH TYR 17 HH TYR 17 -2.995 -0.863 2.602 145 H ILE 18 HN ILE 18 1.758 -7.224 0.095 146 HA ILE 18 HA ILE 18 1.280 -9.338 -1.701 147 HB ILE 18 HB ILE 18 3.810 -7.919 -0.891 148 HG12 ILE 18 2HG1 ILE 18 2.202 -7.806 -3.447 149 HG13 ILE 18 1HG1 ILE 18 2.039 -6.661 -2.120 150 HG21 ILE 18 1HG2 ILE 18 4.923 -8.934 -2.806 151 HG22 ILE 18 2HG2 ILE 18 3.499 -9.927 -3.116 152 HG23 ILE 18 3HG2 ILE 18 4.426 -10.153 -1.633 153 HD11 ILE 18 3HD1 ILE 18 4.541 -7.132 -3.722 154 HD12 ILE 18 1HD1 ILE 18 4.337 -5.954 -2.424 155 HD13 ILE 18 2HD1 ILE 18 3.423 -5.782 -3.923 156 H ALA 19 HN ALA 19 3.217 -9.196 1.281 157 HA ALA 19 HA ALA 19 4.137 -11.889 1.041 158 HB1 ALA 19 1HB ALA 19 5.078 -11.562 3.262 159 HB2 ALA 19 2HB ALA 19 4.162 -10.065 3.440 160 HB3 ALA 19 3HB ALA 19 5.427 -10.184 2.219 161 H LYS 20 HN LYS 20 1.165 -10.583 2.042 162 HA LYS 20 HA LYS 20 0.469 -12.626 3.927 163 HB2 LYS 20 2HB LYS 20 -0.688 -10.373 3.641 164 HB3 LYS 20 1HB LYS 20 -1.448 -11.047 2.208 165 HG2 LYS 20 2HG LYS 20 -2.345 -12.885 3.675 166 HG3 LYS 20 1HG LYS 20 -1.770 -11.951 5.058 167 HD2 LYS 20 2HD LYS 20 -4.076 -11.435 4.752 168 HD3 LYS 20 1HD LYS 20 -3.145 -10.032 4.220 169 HE2 LYS 20 2HE LYS 20 -4.890 -10.438 2.626 170 HE3 LYS 20 1HE LYS 20 -3.345 -10.854 1.887 171 HZ1 LYS 20 3HZ LYS 20 -3.817 -13.204 2.433 172 HZ2 LYS 20 1HZ LYS 20 -4.954 -12.534 1.366 173 HZ3 LYS 20 2HZ LYS 20 -5.347 -12.749 3.003 174 H SER 21 HN SER 21 0.292 -12.190 0.484 175 HA SER 21 HA SER 21 -1.209 -14.613 0.028 176 HB2 SER 21 2HB SER 21 -1.365 -12.548 -1.428 177 HB3 SER 21 1HB SER 21 0.267 -12.907 -1.995 178 HG SER 21 HG SER 21 -1.703 -13.726 -3.210 179 H GLU 22 HN GLU 22 -0.226 -16.206 -1.622 180 HA GLU 22 HA GLU 22 2.436 -16.926 -0.620 181 HB2 GLU 22 2HB GLU 22 1.894 -19.199 -1.504 182 HB3 GLU 22 1HB GLU 22 0.811 -18.637 -0.239 183 HG2 GLU 22 2HG GLU 22 -0.865 -18.062 -1.919 184 HG3 GLU 22 1HG GLU 22 0.226 -18.608 -3.193 185 H LYS 23 HN LYS 23 1.668 -15.020 -2.844 186 HA LYS 23 HA LYS 23 2.823 -16.300 -5.186 187 HB2 LYS 23 2HB LYS 23 0.972 -14.198 -4.754 188 HB3 LYS 23 1HB LYS 23 2.373 -13.490 -5.545 189 HG2 LYS 23 2HG LYS 23 0.664 -14.221 -7.138 190 HG3 LYS 23 1HG LYS 23 2.195 -15.070 -7.362 191 HD2 LYS 23 2HD LYS 23 1.330 -16.999 -6.175 192 HD3 LYS 23 1HD LYS 23 -0.178 -16.146 -5.842 193 HE2 LYS 23 2HE LYS 23 -0.374 -17.733 -7.720 194 HE3 LYS 23 1HE LYS 23 -0.710 -16.069 -8.188 195 HZ1 LYS 23 3HZ LYS 23 1.984 -17.232 -8.545 196 HZ2 LYS 23 1HZ LYS 23 1.288 -15.900 -9.332 197 HZ3 LYS 23 2HZ LYS 23 0.771 -17.476 -9.699 198 H THR 24 HN THR 24 4.578 -15.255 -6.356 199 HA THR 24 HA THR 24 6.627 -14.320 -4.497 200 HB THR 24 HB THR 24 8.197 -14.754 -6.386 201 HG1 THR 24 1HG THR 24 7.133 -16.136 -8.106 202 HG21 THR 24 3HG2 THR 24 7.818 -16.482 -4.719 203 HG22 THR 24 1HG2 THR 24 8.012 -17.218 -6.311 204 HG23 THR 24 2HG2 THR 24 6.405 -17.058 -5.601 205 H GLN 25 HN GLN 25 7.922 -12.478 -4.960 206 HA GLN 25 HA GLN 25 6.638 -10.203 -5.962 207 HB2 GLN 25 2HB GLN 25 9.625 -10.670 -5.888 208 HB3 GLN 25 1HB GLN 25 8.816 -9.118 -5.943 209 HG2 GLN 25 2HG GLN 25 9.330 -9.209 -3.732 210 HG3 GLN 25 1HG GLN 25 7.752 -9.995 -3.692 211 HE21 GLN 25 1HE2 GLN 25 11.203 -10.481 -3.538 212 HE22 GLN 25 2HE2 GLN 25 11.147 -12.084 -2.888 213 H LEU 26 HN LEU 26 8.843 -12.482 -7.428 214 HA LEU 26 HA LEU 26 9.340 -11.252 -9.867 215 HB2 LEU 26 2HB LEU 26 9.958 -13.658 -8.646 216 HB3 LEU 26 1HB LEU 26 9.040 -14.150 -10.054 217 HG LEU 26 HG LEU 26 11.461 -12.350 -10.183 218 HD11 LEU 26 1HD1 LEU 26 11.271 -15.313 -10.711 219 HD12 LEU 26 2HD1 LEU 26 12.058 -14.562 -9.321 220 HD13 LEU 26 3HD1 LEU 26 12.693 -14.293 -10.945 221 HD21 LEU 26 3HD2 LEU 26 9.931 -12.108 -12.059 222 HD22 LEU 26 1HD2 LEU 26 9.940 -13.855 -12.309 223 HD23 LEU 26 2HD2 LEU 26 11.415 -12.920 -12.562 224 H GLU 27 HN GLU 27 6.699 -13.490 -9.004 225 HA GLU 27 HA GLU 27 5.538 -13.636 -11.554 226 HB2 GLU 27 2HB GLU 27 5.195 -14.955 -9.275 227 HB3 GLU 27 1HB GLU 27 3.868 -13.821 -9.098 228 HG2 GLU 27 2HG GLU 27 4.171 -15.425 -11.593 229 HG3 GLU 27 1HG GLU 27 3.454 -16.120 -10.147 230 H ILE 28 HN ILE 28 4.867 -11.522 -8.777 231 HA ILE 28 HA ILE 28 2.697 -10.165 -9.985 232 HB ILE 28 HB ILE 28 4.508 -9.222 -7.757 233 HG12 ILE 28 2HG1 ILE 28 1.822 -10.615 -7.650 234 HG13 ILE 28 1HG1 ILE 28 3.372 -11.385 -7.326 235 HG21 ILE 28 1HG2 ILE 28 2.651 -7.740 -7.145 236 HG22 ILE 28 2HG2 ILE 28 1.757 -8.275 -8.570 237 HG23 ILE 28 3HG2 ILE 28 3.265 -7.380 -8.760 238 HD11 ILE 28 3HD1 ILE 28 2.108 -9.165 -5.731 239 HD12 ILE 28 1HD1 ILE 28 3.699 -9.866 -5.420 240 HD13 ILE 28 2HD1 ILE 28 2.249 -10.858 -5.258 241 H ALA 29 HN ALA 29 6.166 -9.530 -9.846 242 HA ALA 29 HA ALA 29 6.187 -6.978 -10.988 243 HB1 ALA 29 1HB ALA 29 8.141 -8.017 -9.922 244 HB2 ALA 29 2HB ALA 29 8.518 -7.414 -11.536 245 HB3 ALA 29 3HB ALA 29 8.272 -9.142 -11.274 246 H LYS 30 HN LYS 30 6.320 -10.182 -12.516 247 HA LYS 30 HA LYS 30 6.574 -9.338 -15.182 248 HB2 LYS 30 2HB LYS 30 5.211 -11.787 -14.059 249 HB3 LYS 30 1HB LYS 30 5.561 -11.539 -15.762 250 HG2 LYS 30 2HG LYS 30 7.931 -11.543 -15.316 251 HG3 LYS 30 1HG LYS 30 7.625 -11.674 -13.580 252 HD2 LYS 30 2HD LYS 30 6.557 -13.829 -13.905 253 HD3 LYS 30 1HD LYS 30 6.769 -13.691 -15.651 254 HE2 LYS 30 2HE LYS 30 9.174 -13.736 -15.391 255 HE3 LYS 30 1HE LYS 30 9.007 -13.782 -13.635 256 HZ1 LYS 30 3HZ LYS 30 7.821 -15.903 -13.882 257 HZ2 LYS 30 1HZ LYS 30 9.417 -15.978 -14.452 258 HZ3 LYS 30 2HZ LYS 30 8.124 -15.874 -15.550 259 H SER 31 HN SER 31 3.782 -9.676 -13.106 260 HA SER 31 HA SER 31 1.810 -9.423 -15.125 261 HB2 SER 31 2HB SER 31 1.593 -8.806 -12.169 262 HB3 SER 31 1HB SER 31 0.254 -9.118 -13.274 263 HG SER 31 HG SER 31 2.294 -10.940 -12.477 264 H ILE 32 HN ILE 32 3.626 -7.150 -13.214 265 HA ILE 32 HA ILE 32 2.001 -4.884 -13.995 266 HB ILE 32 HB ILE 32 4.653 -4.950 -12.541 267 HG12 ILE 32 2HG1 ILE 32 2.922 -6.093 -11.269 268 HG13 ILE 32 1HG1 ILE 32 3.294 -4.548 -10.515 269 HG21 ILE 32 1HG2 ILE 32 4.232 -2.806 -13.631 270 HG22 ILE 32 2HG2 ILE 32 4.131 -2.661 -11.877 271 HG23 ILE 32 3HG2 ILE 32 2.658 -2.709 -12.844 272 HD11 ILE 32 3HD1 ILE 32 0.918 -4.951 -10.493 273 HD12 ILE 32 1HD1 ILE 32 0.910 -5.155 -12.244 274 HD13 ILE 32 2HD1 ILE 32 1.290 -3.582 -11.541 275 H GLY 33 HN GLY 33 5.224 -6.173 -14.698 276 HA2 GLY 33 2HA GLY 33 5.865 -5.969 -17.105 277 HA3 GLY 33 1HA GLY 33 5.401 -4.280 -16.966 278 H VAL 34 HN VAL 34 6.621 -4.708 -14.093 279 HA VAL 34 HA VAL 34 9.204 -3.636 -14.888 280 HB VAL 34 HB VAL 34 9.519 -3.151 -12.477 281 HG11 VAL 34 1HG1 VAL 34 8.529 -1.475 -13.933 282 HG12 VAL 34 2HG1 VAL 34 7.811 -1.397 -12.323 283 HG13 VAL 34 3HG1 VAL 34 6.926 -2.152 -13.650 284 HG21 VAL 34 3HG2 VAL 34 7.630 -3.421 -10.937 285 HG22 VAL 34 1HG2 VAL 34 8.201 -4.975 -11.541 286 HG23 VAL 34 2HG2 VAL 34 6.727 -4.262 -12.195 287 H SER 35 HN SER 35 11.136 -4.318 -13.608 288 HA SER 35 HA SER 35 11.278 -7.225 -13.557 289 HB2 SER 35 2HB SER 35 13.475 -5.162 -13.249 290 HB3 SER 35 1HB SER 35 13.698 -6.897 -13.476 291 HG SER 35 HG SER 35 12.110 -5.943 -15.419 292 HA PRO 36 HA PRO 36 11.090 -7.742 -9.154 293 HB2 PRO 36 2HB PRO 36 13.524 -9.431 -9.516 294 HB3 PRO 36 1HB PRO 36 12.004 -9.800 -8.692 295 HG2 PRO 36 2HG PRO 36 12.517 -10.816 -11.092 296 HG3 PRO 36 1HG PRO 36 10.888 -10.260 -10.672 297 HD2 PRO 36 2HD PRO 36 12.955 -8.962 -12.389 298 HD3 PRO 36 1HD PRO 36 11.187 -8.984 -12.568 299 H GLN 37 HN GLN 37 14.189 -6.947 -10.671 300 HA GLN 37 HA GLN 37 15.603 -6.016 -8.458 301 HB2 GLN 37 2HB GLN 37 15.536 -5.087 -11.325 302 HB3 GLN 37 1HB GLN 37 16.622 -4.378 -10.141 303 HG2 GLN 37 2HG GLN 37 17.817 -6.375 -9.877 304 HG3 GLN 37 1HG GLN 37 16.565 -7.324 -10.681 305 HE21 GLN 37 1HE2 GLN 37 16.463 -7.363 -12.895 306 HE22 GLN 37 2HE2 GLN 37 17.732 -6.744 -13.901 307 H THR 38 HN THR 38 13.323 -4.275 -10.540 308 HA THR 38 HA THR 38 13.440 -1.830 -9.091 309 HB THR 38 HB THR 38 11.184 -2.782 -10.865 310 HG1 THR 38 1HG THR 38 13.795 -1.881 -11.488 311 HG21 THR 38 3HG2 THR 38 10.750 -0.712 -9.638 312 HG22 THR 38 1HG2 THR 38 10.930 -0.394 -11.363 313 HG23 THR 38 2HG2 THR 38 12.251 -0.021 -10.257 314 H PHE 39 HN PHE 39 11.311 -4.630 -9.103 315 HA PHE 39 HA PHE 39 9.329 -3.670 -7.365 316 HB2 PHE 39 2HB PHE 39 9.436 -5.806 -8.867 317 HB3 PHE 39 1HB PHE 39 10.148 -6.560 -7.444 318 HD1 PHE 39 2HD PHE 39 8.832 -6.886 -5.421 319 HD2 PHE 39 1HD PHE 39 7.128 -5.193 -8.931 320 HE1 PHE 39 2HE PHE 39 6.580 -7.293 -4.520 321 HE2 PHE 39 1HE PHE 39 4.873 -5.597 -8.037 322 HZ PHE 39 HZ PHE 39 4.597 -6.647 -5.828 323 H ASN 40 HN ASN 40 12.430 -5.199 -6.798 324 HA ASN 40 HA ASN 40 12.175 -5.755 -4.068 325 HB2 ASN 40 2HB ASN 40 13.975 -6.727 -5.324 326 HB3 ASN 40 1HB ASN 40 14.613 -5.142 -5.745 327 HD21 ASN 40 1HD2 ASN 40 15.936 -4.094 -4.329 328 HD22 ASN 40 2HD2 ASN 40 16.486 -4.781 -2.838 329 H THR 41 HN THR 41 13.288 -2.806 -5.719 330 HA THR 41 HA THR 41 14.065 -1.492 -3.325 331 HB THR 41 HB THR 41 13.984 0.614 -4.670 332 HG1 THR 41 1HG THR 41 12.514 -0.956 -6.339 333 HG21 THR 41 3HG2 THR 41 16.009 -0.737 -4.576 334 HG22 THR 41 1HG2 THR 41 15.824 -0.004 -6.170 335 HG23 THR 41 2HG2 THR 41 15.438 -1.709 -5.933 336 H TRP 42 HN TRP 42 11.001 -1.991 -4.835 337 HA TRP 42 HA TRP 42 9.650 0.066 -3.341 338 HB2 TRP 42 2HB TRP 42 8.535 -2.337 -4.808 339 HB3 TRP 42 1HB TRP 42 7.584 -1.008 -4.157 340 HD1 TRP 42 1HD TRP 42 10.100 1.029 -5.383 341 HE1 TRP 42 1HE TRP 42 9.792 1.718 -7.846 342 HE3 TRP 42 3HE TRP 42 6.753 -2.567 -6.812 343 HZ2 TRP 42 2HZ TRP 42 8.313 0.851 -10.087 344 HZ3 TRP 42 3HZ TRP 42 5.941 -2.563 -9.135 345 HH2 TRP 42 2HH TRP 42 6.709 -0.889 -10.738 346 H CYS 43 HN CYS 43 10.045 -3.433 -3.147 347 HA CYS 43 HA CYS 43 8.391 -3.833 -0.890 348 HB2 CYS 43 2HB CYS 43 9.008 -5.616 -2.493 349 HB3 CYS 43 1HB CYS 43 10.670 -5.533 -1.923 350 HG CYS 43 HG CYS 43 8.817 -6.007 0.701 351 H LYS 44 HN LYS 44 11.833 -3.167 -1.250 352 HA LYS 44 HA LYS 44 12.305 -3.447 1.588 353 HB2 LYS 44 2HB LYS 44 13.971 -2.894 -0.818 354 HB3 LYS 44 1HB LYS 44 14.587 -2.397 0.744 355 HG2 LYS 44 2HG LYS 44 14.103 -4.806 1.481 356 HG3 LYS 44 1HG LYS 44 13.976 -5.154 -0.245 357 HD2 LYS 44 2HD LYS 44 16.230 -4.300 -0.592 358 HD3 LYS 44 1HD LYS 44 16.355 -3.906 1.124 359 HE2 LYS 44 2HE LYS 44 15.960 -6.344 1.603 360 HE3 LYS 44 1HE LYS 44 16.130 -6.637 -0.128 361 HZ1 LYS 44 3HZ LYS 44 18.182 -5.489 1.688 362 HZ2 LYS 44 1HZ LYS 44 18.355 -5.620 0.004 363 HZ3 LYS 44 2HZ LYS 44 18.221 -7.016 0.948 364 H GLY 45 HN GLY 45 10.801 -1.151 -0.160 365 HA2 GLY 45 2HA GLY 45 10.261 1.048 0.240 366 HA3 GLY 45 1HA GLY 45 10.843 0.779 1.875 367 H ILE 46 HN ILE 46 12.509 0.793 -1.251 368 HA ILE 46 HA ILE 46 14.398 2.769 -0.165 369 HB ILE 46 HB ILE 46 14.692 1.003 -2.607 370 HG12 ILE 46 2HG1 ILE 46 15.971 0.725 0.126 371 HG13 ILE 46 1HG1 ILE 46 14.659 -0.282 -0.478 372 HG21 ILE 46 1HG2 ILE 46 16.700 2.754 -1.189 373 HG22 ILE 46 2HG2 ILE 46 15.973 3.072 -2.763 374 HG23 ILE 46 3HG2 ILE 46 17.046 1.689 -2.551 375 HD11 ILE 46 3HD1 ILE 46 16.122 -1.115 -2.250 376 HD12 ILE 46 1HD1 ILE 46 16.800 -1.414 -0.650 377 HD13 ILE 46 2HD1 ILE 46 17.432 -0.100 -1.643 378 H ALA 47 HN ALA 47 12.257 2.057 -2.861 379 HA ALA 47 HA ALA 47 12.326 4.884 -3.629 380 HB1 ALA 47 1HB ALA 47 12.604 2.586 -5.571 381 HB2 ALA 47 2HB ALA 47 13.859 3.753 -5.150 382 HB3 ALA 47 3HB ALA 47 12.412 4.283 -6.011 383 H ILE 48 HN ILE 48 10.443 5.542 -4.835 384 HA ILE 48 HA ILE 48 8.144 3.733 -4.519 385 HB ILE 48 HB ILE 48 8.225 6.713 -3.997 386 HG12 ILE 48 2HG1 ILE 48 7.482 4.408 -2.186 387 HG13 ILE 48 1HG1 ILE 48 9.054 5.196 -2.195 388 HG21 ILE 48 1HG2 ILE 48 5.824 6.510 -3.459 389 HG22 ILE 48 2HG2 ILE 48 5.859 4.846 -4.048 390 HG23 ILE 48 3HG2 ILE 48 6.167 6.180 -5.160 391 HD11 ILE 48 3HD1 ILE 48 6.425 6.493 -1.513 392 HD12 ILE 48 1HD1 ILE 48 7.991 7.300 -1.528 393 HD13 ILE 48 2HD1 ILE 48 7.677 6.011 -0.370 394 HA PRO 49 HA PRO 49 7.730 4.485 -8.892 395 HB2 PRO 49 2HB PRO 49 5.432 3.119 -9.248 396 HB3 PRO 49 1HB PRO 49 6.970 2.306 -8.945 397 HG2 PRO 49 2HG PRO 49 4.769 2.953 -7.011 398 HG3 PRO 49 1HG PRO 49 5.654 1.429 -7.222 399 HD2 PRO 49 2HD PRO 49 6.286 3.201 -5.269 400 HD3 PRO 49 1HD PRO 49 7.510 2.202 -6.082 401 H ARG 50 HN ARG 50 6.305 5.587 -10.346 402 HA ARG 50 HA ARG 50 4.657 7.570 -8.975 403 HB2 ARG 50 2HB ARG 50 5.847 7.490 -11.743 404 HB3 ARG 50 1HB ARG 50 4.720 8.735 -11.219 405 HG2 ARG 50 2HG ARG 50 6.290 9.299 -9.378 406 HG3 ARG 50 1HG ARG 50 7.437 8.149 -10.065 407 HD2 ARG 50 2HD ARG 50 7.653 9.425 -12.054 408 HD3 ARG 50 1HD ARG 50 6.284 10.450 -11.621 409 HE ARG 50 HE ARG 50 8.318 10.608 -9.651 410 HH11 ARG 50 1HH1 ARG 50 7.557 11.655 -12.890 411 HH12 ARG 50 2HH1 ARG 50 8.468 13.129 -12.777 412 HH21 ARG 50 1HH2 ARG 50 9.523 12.542 -9.467 413 HH22 ARG 50 2HH2 ARG 50 9.590 13.640 -10.823 414 H MET 51 HN MET 51 2.855 8.389 -10.710 415 HA MET 51 HA MET 51 0.746 6.699 -10.180 416 HB2 MET 51 2HB MET 51 0.955 8.816 -12.322 417 HB3 MET 51 1HB MET 51 -0.549 8.047 -11.835 418 HG2 MET 51 2HG MET 51 1.245 9.717 -10.090 419 HG3 MET 51 1HG MET 51 -0.305 10.203 -10.775 420 HE1 MET 51 3HE MET 51 -2.625 9.221 -10.044 421 HE2 MET 51 1HE MET 51 -2.831 7.935 -8.853 422 HE3 MET 51 2HE MET 51 -2.086 7.580 -10.412 423 H GLY 52 HN GLY 52 2.607 6.924 -13.181 424 HA2 GLY 52 2HA GLY 52 1.056 5.347 -14.840 425 HA3 GLY 52 1HA GLY 52 2.803 5.456 -14.932 426 H LYS 53 HN LYS 53 3.265 4.262 -12.303 427 HA LYS 53 HA LYS 53 2.715 1.485 -13.078 428 HB2 LYS 53 2HB LYS 53 5.028 2.806 -12.074 429 HB3 LYS 53 1HB LYS 53 4.525 1.611 -10.885 430 HG2 LYS 53 2HG LYS 53 6.129 0.680 -12.471 431 HG3 LYS 53 1HG LYS 53 4.562 -0.125 -12.584 432 HD2 LYS 53 2HD LYS 53 4.010 1.309 -14.528 433 HD3 LYS 53 1HD LYS 53 5.631 2.003 -14.440 434 HE2 LYS 53 2HE LYS 53 6.596 -0.217 -14.819 435 HE3 LYS 53 1HE LYS 53 4.976 -0.908 -14.904 436 HZ1 LYS 53 3HZ LYS 53 6.108 1.116 -16.766 437 HZ2 LYS 53 1HZ LYS 53 4.532 0.484 -16.841 438 HZ3 LYS 53 2HZ LYS 53 5.870 -0.529 -17.107 439 H VAL 54 HN VAL 54 2.145 3.826 -10.567 440 HA VAL 54 HA VAL 54 1.273 2.094 -8.522 441 HB VAL 54 HB VAL 54 0.406 4.929 -9.124 442 HG11 VAL 54 1HG1 VAL 54 -1.282 3.822 -7.766 443 HG12 VAL 54 2HG1 VAL 54 -0.389 4.998 -6.801 444 HG13 VAL 54 3HG1 VAL 54 -0.040 3.276 -6.638 445 HG21 VAL 54 3HG2 VAL 54 2.408 3.820 -7.158 446 HG22 VAL 54 1HG2 VAL 54 1.951 5.519 -7.313 447 HG23 VAL 54 2HG2 VAL 54 2.782 4.703 -8.639 448 H GLN 55 HN GLN 55 -0.405 3.521 -11.280 449 HA GLN 55 HA GLN 55 -3.004 2.694 -10.588 450 HB2 GLN 55 2HB GLN 55 -1.757 3.276 -13.270 451 HB3 GLN 55 1HB GLN 55 -3.470 2.940 -13.052 452 HG2 GLN 55 2HG GLN 55 -1.954 5.208 -11.781 453 HG3 GLN 55 1HG GLN 55 -3.012 5.332 -13.184 454 HE21 GLN 55 1HE2 GLN 55 -2.867 4.855 -9.733 455 HE22 GLN 55 2HE2 GLN 55 -4.549 5.125 -9.424 456 H ALA 56 HN ALA 56 -0.366 1.022 -12.170 457 HA ALA 56 HA ALA 56 -1.898 -1.214 -13.046 458 HB1 ALA 56 1HB ALA 56 0.259 -0.676 -14.045 459 HB2 ALA 56 2HB ALA 56 0.269 -2.307 -13.377 460 HB3 ALA 56 3HB ALA 56 1.062 -0.994 -12.509 461 H LEU 57 HN LEU 57 0.107 -0.551 -10.195 462 HA LEU 57 HA LEU 57 -0.198 -3.063 -8.957 463 HB2 LEU 57 2HB LEU 57 0.327 -0.337 -7.773 464 HB3 LEU 57 1HB LEU 57 0.441 -1.837 -6.879 465 HG LEU 57 HG LEU 57 2.133 -1.152 -9.280 466 HD11 LEU 57 1HD1 LEU 57 2.784 -1.050 -6.336 467 HD12 LEU 57 2HD1 LEU 57 2.675 0.321 -7.440 468 HD13 LEU 57 3HD1 LEU 57 3.954 -0.875 -7.645 469 HD21 LEU 57 3HD2 LEU 57 2.298 -3.413 -7.286 470 HD22 LEU 57 1HD2 LEU 57 3.473 -3.077 -8.557 471 HD23 LEU 57 2HD2 LEU 57 1.827 -3.545 -8.981 472 H ALA 58 HN ALA 58 -1.993 -0.027 -8.623 473 HA ALA 58 HA ALA 58 -3.748 -0.909 -6.596 474 HB1 ALA 58 1HB ALA 58 -5.094 1.046 -7.173 475 HB2 ALA 58 2HB ALA 58 -4.150 1.263 -8.648 476 HB3 ALA 58 3HB ALA 58 -3.380 1.452 -7.071 477 H ASP 59 HN ASP 59 -3.791 -1.275 -10.059 478 HA ASP 59 HA ASP 59 -6.556 -2.070 -10.198 479 HB2 ASP 59 2HB ASP 59 -5.446 -1.048 -12.138 480 HB3 ASP 59 1HB ASP 59 -4.320 -2.393 -12.211 481 H TYR 60 HN TYR 60 -3.434 -3.629 -10.023 482 HA TYR 60 HA TYR 60 -4.212 -6.248 -10.667 483 HB2 TYR 60 2HB TYR 60 -1.872 -5.265 -10.547 484 HB3 TYR 60 1HB TYR 60 -1.957 -5.506 -8.807 485 HD1 TYR 60 1HD TYR 60 -2.531 -7.431 -11.949 486 HD2 TYR 60 2HD TYR 60 -1.032 -7.447 -7.968 487 HE1 TYR 60 1HE TYR 60 -1.730 -9.728 -12.270 488 HE2 TYR 60 2HE TYR 60 -0.227 -9.750 -8.277 489 HH TYR 60 HH TYR 60 -0.009 -11.223 -11.311 490 H PHE 61 HN PHE 61 -4.149 -4.538 -7.582 491 HA PHE 61 HA PHE 61 -5.244 -6.913 -6.252 492 HB2 PHE 61 2HB PHE 61 -4.123 -4.331 -5.155 493 HB3 PHE 61 1HB PHE 61 -4.874 -5.565 -4.159 494 HD1 PHE 61 2HD PHE 61 -3.804 -7.782 -3.930 495 HD2 PHE 61 1HD PHE 61 -1.899 -4.548 -5.935 496 HE1 PHE 61 2HE PHE 61 -1.639 -8.933 -3.720 497 HE2 PHE 61 1HE PHE 61 0.269 -5.693 -5.727 498 HZ PHE 61 HZ PHE 61 0.402 -7.887 -4.615 499 H ASN 62 HN ASN 62 -6.266 -4.226 -7.839 500 HA ASN 62 HA ASN 62 -8.039 -2.828 -7.846 501 HB2 ASN 62 2HB ASN 62 -9.153 -5.009 -8.316 502 HB3 ASN 62 1HB ASN 62 -9.518 -5.147 -6.599 503 HD21 ASN 62 1HD2 ASN 62 -10.084 -3.250 -9.492 504 HD22 ASN 62 2HD2 ASN 62 -11.572 -2.530 -8.962 505 H ILE 63 HN ILE 63 -6.850 -1.615 -6.241 506 HA ILE 63 HA ILE 63 -8.457 -1.251 -3.810 507 HB ILE 63 HB ILE 63 -6.367 -0.782 -2.521 508 HG12 ILE 63 2HG1 ILE 63 -5.005 -2.090 -4.889 509 HG13 ILE 63 1HG1 ILE 63 -4.879 -0.389 -4.453 510 HG21 ILE 63 1HG2 ILE 63 -6.623 -3.581 -3.605 511 HG22 ILE 63 2HG2 ILE 63 -7.533 -2.893 -2.259 512 HG23 ILE 63 3HG2 ILE 63 -5.789 -3.123 -2.117 513 HD11 ILE 63 3HD1 ILE 63 -3.832 -1.042 -2.327 514 HD12 ILE 63 1HD1 ILE 63 -2.916 -1.587 -3.732 515 HD13 ILE 63 2HD1 ILE 63 -3.910 -2.730 -2.831 516 H ASN 64 HN ASN 64 -7.484 0.875 -2.690 517 HA ASN 64 HA ASN 64 -7.526 2.920 -4.787 518 HB2 ASN 64 2HB ASN 64 -7.679 3.291 -1.784 519 HB3 ASN 64 1HB ASN 64 -8.045 4.492 -3.017 520 HD21 ASN 64 1HD2 ASN 64 -9.131 1.670 -1.344 521 HD22 ASN 64 2HD2 ASN 64 -10.775 1.716 -1.904 522 H LYS 65 HN LYS 65 -5.928 4.655 -4.739 523 HA LYS 65 HA LYS 65 -3.302 3.739 -4.387 524 HB2 LYS 65 2HB LYS 65 -2.574 6.018 -4.803 525 HB3 LYS 65 1HB LYS 65 -3.887 5.601 -5.893 526 HG2 LYS 65 2HG LYS 65 -5.439 6.921 -4.669 527 HG3 LYS 65 1HG LYS 65 -4.287 7.159 -3.351 528 HD2 LYS 65 2HD LYS 65 -2.808 8.376 -4.921 529 HD3 LYS 65 1HD LYS 65 -4.040 8.205 -6.173 530 HE2 LYS 65 2HE LYS 65 -5.600 9.515 -4.880 531 HE3 LYS 65 1HE LYS 65 -4.478 9.578 -3.522 532 HZ1 LYS 65 3HZ LYS 65 -3.993 10.772 -6.202 533 HZ2 LYS 65 1HZ LYS 65 -2.949 10.859 -4.868 534 HZ3 LYS 65 2HZ LYS 65 -4.460 11.632 -4.816 535 H SER 66 HN SER 66 -5.474 5.404 -2.234 536 HA SER 66 HA SER 66 -3.586 6.218 -0.307 537 HB2 SER 66 2HB SER 66 -6.526 5.598 0.073 538 HB3 SER 66 1HB SER 66 -5.517 6.585 1.134 539 HG SER 66 HG SER 66 -6.570 7.998 -0.188 540 H ASP 67 HN ASP 67 -5.108 3.148 -0.942 541 HA ASP 67 HA ASP 67 -4.937 2.019 1.635 542 HB2 ASP 67 2HB ASP 67 -5.067 0.818 -1.119 543 HB3 ASP 67 1HB ASP 67 -4.826 -0.204 0.293 544 H LEU 68 HN LEU 68 -2.553 2.551 -0.806 545 HA LEU 68 HA LEU 68 -0.592 0.872 0.552 546 HB2 LEU 68 2HB LEU 68 -0.399 2.515 -1.973 547 HB3 LEU 68 1HB LEU 68 0.888 1.512 -1.335 548 HG LEU 68 HG LEU 68 -1.799 0.501 -2.275 549 HD11 LEU 68 1HD1 LEU 68 -0.426 1.329 -4.117 550 HD12 LEU 68 2HD1 LEU 68 -0.564 -0.430 -4.161 551 HD13 LEU 68 3HD1 LEU 68 0.918 0.326 -3.571 552 HD21 LEU 68 3HD2 LEU 68 -0.803 -1.712 -2.043 553 HD22 LEU 68 1HD2 LEU 68 -0.827 -0.868 -0.496 554 HD23 LEU 68 2HD2 LEU 68 0.677 -0.990 -1.410 555 H ILE 69 HN ILE 69 -1.636 4.114 0.502 556 HA ILE 69 HA ILE 69 1.023 5.171 1.121 557 HB ILE 69 HB ILE 69 -1.547 6.644 0.501 558 HG12 ILE 69 2HG1 ILE 69 0.909 6.154 -1.198 559 HG13 ILE 69 1HG1 ILE 69 -0.658 5.380 -1.412 560 HG21 ILE 69 1HG2 ILE 69 1.266 7.685 0.823 561 HG22 ILE 69 2HG2 ILE 69 -0.093 7.987 1.907 562 HG23 ILE 69 3HG2 ILE 69 -0.115 8.629 0.263 563 HD11 ILE 69 3HD1 ILE 69 -0.367 7.160 -3.018 564 HD12 ILE 69 1HD1 ILE 69 -0.061 8.314 -1.720 565 HD13 ILE 69 2HD1 ILE 69 -1.651 7.572 -1.882 566 H GLU 70 HN GLU 70 -2.098 4.639 2.634 567 HA GLU 70 HA GLU 70 -1.910 6.632 4.592 568 HB2 GLU 70 2HB GLU 70 -3.681 5.311 5.745 569 HB3 GLU 70 1HB GLU 70 -4.038 5.744 4.092 570 HG2 GLU 70 2HG GLU 70 -4.760 3.578 4.155 571 HG3 GLU 70 1HG GLU 70 -3.115 3.367 3.566 572 H ASP 71 HN ASP 71 -1.415 6.590 6.740 573 HA ASP 71 HA ASP 71 0.618 4.698 7.547 574 HB2 ASP 71 2HB ASP 71 0.944 7.026 8.151 575 HB3 ASP 71 1HB ASP 71 -0.616 7.074 8.965 576 H LYS 72 HN LYS 72 0.011 2.775 8.277 577 HA LYS 72 HA LYS 72 -2.698 2.401 9.234 578 HB2 LYS 72 2HB LYS 72 -1.275 0.878 7.629 579 HB3 LYS 72 1HB LYS 72 -0.669 0.204 9.136 580 HG2 LYS 72 2HG LYS 72 -2.977 -0.310 9.808 581 HG3 LYS 72 1HG LYS 72 -3.545 0.300 8.253 582 HD2 LYS 72 2HD LYS 72 -1.695 -2.043 8.699 583 HD3 LYS 72 1HD LYS 72 -3.383 -2.124 8.199 584 HE2 LYS 72 2HE LYS 72 -1.105 -0.914 6.635 585 HE3 LYS 72 1HE LYS 72 -1.904 -2.448 6.297 586 HZ1 LYS 72 3HZ LYS 72 -2.907 -0.988 4.837 587 HZ2 LYS 72 1HZ LYS 72 -2.935 0.298 5.948 588 HZ3 LYS 72 2HZ LYS 72 -4.007 -1.011 6.124 589 H LYS 73 HN LYS 73 -0.324 3.674 10.807 590 HA LYS 73 HA LYS 73 -0.463 1.966 13.175 591 HB2 LYS 73 2HB LYS 73 1.404 4.192 12.373 592 HB3 LYS 73 1HB LYS 73 1.373 3.517 13.991 593 HG2 LYS 73 2HG LYS 73 1.887 1.301 13.061 594 HG3 LYS 73 1HG LYS 73 1.968 2.021 11.452 595 HD2 LYS 73 2HD LYS 73 3.817 3.434 12.156 596 HD3 LYS 73 1HD LYS 73 3.714 2.778 13.791 597 HE2 LYS 73 2HE LYS 73 4.311 1.166 11.313 598 HE3 LYS 73 1HE LYS 73 5.525 1.765 12.442 599 HZ1 LYS 73 3HZ LYS 73 4.461 0.453 14.194 600 HZ2 LYS 73 1HZ LYS 73 4.994 -0.521 12.915 601 HZ3 LYS 73 2HZ LYS 73 3.346 -0.160 13.075 602 H LEU 74 HN LEU 74 -2.481 3.953 12.042 603 HA LEU 74 HA LEU 74 -2.776 5.911 14.092 604 HB2 LEU 74 2HB LEU 74 -4.670 4.908 11.965 605 HB3 LEU 74 1HB LEU 74 -5.032 6.218 13.060 606 HG LEU 74 HG LEU 74 -2.840 6.195 10.994 607 HD11 LEU 74 1HD1 LEU 74 -5.423 7.738 11.158 608 HD12 LEU 74 2HD1 LEU 74 -5.053 6.438 10.024 609 HD13 LEU 74 3HD1 LEU 74 -4.170 7.963 9.935 610 HD21 LEU 74 3HD2 LEU 74 -2.492 8.533 11.630 611 HD22 LEU 74 1HD2 LEU 74 -2.164 7.442 12.975 612 HD23 LEU 74 2HD2 LEU 74 -3.672 8.354 12.927 613 H ASN 75 HN ASN 75 -2.581 4.532 15.892 614 HA ASN 75 HA ASN 75 -4.217 2.360 16.486 615 HB2 ASN 75 2HB ASN 75 -2.704 4.262 18.266 616 HB3 ASN 75 1HB ASN 75 -3.619 2.904 18.910 617 HD21 ASN 75 1HD2 ASN 75 -0.811 3.876 17.114 618 HD22 ASN 75 2HD2 ASN 75 -0.037 2.328 17.101 619 H ILE 76 HN ILE 76 -6.287 2.337 16.565 620 HA ILE 76 HA ILE 76 -8.001 4.506 17.115 621 HB ILE 76 HB ILE 76 -8.652 1.558 17.379 622 HG12 ILE 76 2HG1 ILE 76 -9.623 2.023 14.982 623 HG13 ILE 76 1HG1 ILE 76 -8.441 3.321 14.961 624 HG21 ILE 76 1HG2 ILE 76 -10.350 3.025 18.337 625 HG22 ILE 76 2HG2 ILE 76 -10.952 2.223 16.885 626 HG23 ILE 76 3HG2 ILE 76 -10.452 3.914 16.816 627 HD11 ILE 76 3HD1 ILE 76 -7.850 0.399 15.340 628 HD12 ILE 76 1HD1 ILE 76 -6.654 1.695 15.329 629 HD13 ILE 76 2HD1 ILE 76 -7.585 1.337 13.872 630 H ASP 77 HN ASP 77 -9.439 4.704 18.996 631 HA ASP 77 HA ASP 77 -8.017 4.576 21.442 632 HB2 ASP 77 2HB ASP 77 -10.695 5.539 20.599 633 HB3 ASP 77 1HB ASP 77 -10.464 5.183 22.308 634 H THR 78 HN THR 78 -7.601 2.323 21.423 635 HA THR 78 HA THR 78 -9.789 0.705 22.547 636 HB THR 78 HB THR 78 -7.084 -0.337 21.693 637 HG1 THR 78 1HG THR 78 -8.645 0.883 20.066 638 HG21 THR 78 3HG2 THR 78 -8.486 -1.852 23.001 639 HG22 THR 78 1HG2 THR 78 -8.342 -2.422 21.338 640 HG23 THR 78 2HG2 THR 78 -9.819 -1.615 21.872 641 H VAL 79 HN VAL 79 -9.236 -0.606 24.464 642 HA VAL 79 HA VAL 79 -7.261 0.766 26.161 643 HB VAL 79 HB VAL 79 -9.523 -1.007 27.089 644 HG11 VAL 79 1HG1 VAL 79 -7.633 -0.800 28.631 645 HG12 VAL 79 2HG1 VAL 79 -9.084 -0.028 29.270 646 HG13 VAL 79 3HG1 VAL 79 -7.792 0.956 28.582 647 HG21 VAL 79 3HG2 VAL 79 -9.425 2.006 26.959 648 HG22 VAL 79 1HG2 VAL 79 -10.703 1.048 27.706 649 HG23 VAL 79 2HG2 VAL 79 -10.436 0.959 25.965 650 HA PRO 80 HA PRO 80 -5.244 -3.286 25.378 651 HB2 PRO 80 2HB PRO 80 -2.768 -1.805 25.831 652 HB3 PRO 80 1HB PRO 80 -3.302 -2.669 24.387 653 HG2 PRO 80 2HG PRO 80 -3.112 0.032 24.488 654 HG3 PRO 80 1HG PRO 80 -4.308 -0.813 23.486 655 HD2 PRO 80 2HD PRO 80 -4.662 0.494 26.159 656 HD3 PRO 80 1HD PRO 80 -5.728 0.536 24.737 657 H ILE 81 HN ILE 81 -4.771 -4.714 26.927 658 HA ILE 81 HA ILE 81 -4.386 -3.740 29.643 659 HB ILE 81 HB ILE 81 -6.084 -5.400 29.444 660 HG12 ILE 81 2HG1 ILE 81 -3.617 -6.689 30.626 661 HG13 ILE 81 1HG1 ILE 81 -4.660 -5.532 31.447 662 HG21 ILE 81 1HG2 ILE 81 -5.690 -7.649 28.569 663 HG22 ILE 81 2HG2 ILE 81 -4.037 -7.196 28.151 664 HG23 ILE 81 3HG2 ILE 81 -5.396 -6.415 27.343 665 HD11 ILE 81 3HD1 ILE 81 -5.479 -8.263 30.488 666 HD12 ILE 81 1HD1 ILE 81 -6.513 -7.105 31.327 667 HD13 ILE 81 2HD1 ILE 81 -5.122 -7.809 32.152 668 H GLU 82 HN GLU 82 -2.584 -3.919 30.761 669 HA GLU 82 HA GLU 82 -0.410 -4.247 31.317 670 HB2 GLU 82 2HB GLU 82 -1.150 -6.697 30.772 671 HB3 GLU 82 1HB GLU 82 -0.175 -6.485 29.325 672 HG2 GLU 82 2HG GLU 82 1.765 -5.956 30.733 673 HG3 GLU 82 1HG GLU 82 0.779 -6.233 32.166 674 H SER 83 HN SER 83 1.887 -4.619 30.053 675 HA SER 83 HA SER 83 3.411 -3.829 28.580 676 HB2 SER 83 2HB SER 83 1.057 -3.342 26.740 677 HB3 SER 83 1HB SER 83 2.757 -3.333 26.270 678 HG SER 83 HG SER 83 1.069 -5.435 26.597 679 H GLY 84 HN GLY 84 3.657 -1.690 26.996 680 HA2 GLY 84 2HA GLY 84 2.966 0.529 28.819 681 HA3 GLY 84 1HA GLY 84 4.389 0.480 27.789 682 H TYR 85 HN TYR 85 2.550 2.625 27.888 683 HA TYR 85 HA TYR 85 1.183 2.389 25.281 684 HB2 TYR 85 2HB TYR 85 -0.343 2.765 27.181 685 HB3 TYR 85 1HB TYR 85 0.545 4.222 27.611 686 HD1 TYR 85 2HD TYR 85 -1.510 2.694 24.919 687 HD2 TYR 85 1HD TYR 85 -0.034 6.286 26.652 688 HE1 TYR 85 2HE TYR 85 -2.993 4.003 23.457 689 HE2 TYR 85 1HE TYR 85 -1.510 7.605 25.198 690 HH TYR 85 HH TYR 85 -2.677 7.360 23.041 691 H THR 86 HN THR 86 1.850 3.664 23.673 692 HA THR 86 HA THR 86 3.942 5.616 24.218 693 HB THR 86 HB THR 86 4.072 5.684 21.673 694 HG1 THR 86 1HG THR 86 1.945 4.760 21.358 695 HG21 THR 86 3HG2 THR 86 5.658 4.403 23.018 696 HG22 THR 86 1HG2 THR 86 5.261 3.541 21.531 697 HG23 THR 86 2HG2 THR 86 4.537 3.041 23.060 698 H LEU 87 HN LEU 87 3.452 7.694 24.455 699 HA LEU 87 HA LEU 87 0.901 8.707 23.485 700 HB2 LEU 87 2HB LEU 87 1.588 9.240 25.770 701 HB3 LEU 87 1HB LEU 87 3.049 9.998 25.169 702 HG LEU 87 HG LEU 87 1.647 11.705 24.027 703 HD11 LEU 87 1HD1 LEU 87 -0.609 10.395 25.540 704 HD12 LEU 87 2HD1 LEU 87 -0.397 10.383 23.788 705 HD13 LEU 87 3HD1 LEU 87 -0.709 11.903 24.631 706 HD21 LEU 87 3HD2 LEU 87 1.203 11.433 26.993 707 HD22 LEU 87 1HD2 LEU 87 1.038 12.919 26.058 708 HD23 LEU 87 2HD2 LEU 87 2.616 12.146 26.217 709 H GLU 88 HN GLU 88 0.897 9.278 21.401 710 HA GLU 88 HA GLU 88 3.252 10.487 20.210 711 HB2 GLU 88 2HB GLU 88 1.964 10.393 18.098 712 HB3 GLU 88 1HB GLU 88 2.111 8.827 18.876 713 HG2 GLU 88 2HG GLU 88 -0.077 8.776 18.250 714 HG3 GLU 88 1HG GLU 88 -0.234 9.446 19.873 715 H HIS 89 HN HIS 89 2.420 12.361 18.509 716 HA HIS 89 HA HIS 89 0.827 14.275 20.040 717 HB2 HIS 89 2HB HIS 89 3.243 14.522 20.698 718 HB3 HIS 89 1HB HIS 89 3.603 14.936 19.026 719 HD1 HIS 89 1HD HIS 89 2.270 16.338 22.189 720 HD2 HIS 89 2HD HIS 89 2.615 17.469 18.201 721 HE1 HIS 89 1HE HIS 89 1.797 18.810 22.138 722 HE2 HIS 89 2HE HIS 89 1.817 19.424 19.690 723 H HIS 90 HN HIS 90 -0.382 15.590 18.785 724 HA HIS 90 HA HIS 90 -0.127 15.308 15.880 725 HB2 HIS 90 2HB HIS 90 -2.256 16.798 17.441 726 HB3 HIS 90 1HB HIS 90 -2.308 16.362 15.739 727 HD1 HIS 90 1HD HIS 90 -3.930 15.473 18.628 728 HD2 HIS 90 2HD HIS 90 -1.943 13.219 15.750 729 HE1 HIS 90 1HE HIS 90 -4.859 13.143 18.826 730 HE2 HIS 90 2HE HIS 90 -3.513 11.763 17.200 731 H HIS 91 HN HIS 91 0.921 16.833 14.716 732 HA HIS 91 HA HIS 91 1.804 19.228 16.093 733 HB2 HIS 91 2HB HIS 91 3.293 17.859 14.579 734 HB3 HIS 91 1HB HIS 91 2.349 18.465 13.223 735 HD1 HIS 91 1HD HIS 91 3.361 20.442 12.133 736 HD2 HIS 91 2HD HIS 91 4.369 20.200 16.163 737 HE1 HIS 91 1HE HIS 91 4.889 22.390 12.572 738 HE2 HIS 91 2HE HIS 91 5.318 22.341 15.055 739 H HIS 92 HN HIS 92 1.327 21.325 15.547 740 HA HIS 92 HA HIS 92 -1.223 21.928 14.526 741 HB2 HIS 92 2HB HIS 92 0.199 23.328 16.103 742 HB3 HIS 92 1HB HIS 92 1.135 23.819 14.696 743 HD1 HIS 92 1HD HIS 92 0.415 25.978 13.734 744 HD2 HIS 92 2HD HIS 92 -2.704 24.013 15.676 745 HE1 HIS 92 1HE HIS 92 -1.565 27.526 13.600 746 HE2 HIS 92 2HE HIS 92 -3.403 26.377 14.887 747 H HIS 93 HN HIS 93 -1.905 22.655 12.517 748 HA HIS 93 HA HIS 93 -0.727 21.656 10.225 749 HB2 HIS 93 2HB HIS 93 -2.470 24.129 10.352 750 HB3 HIS 93 1HB HIS 93 -2.202 23.120 8.937 751 HD1 HIS 93 1HD HIS 93 -2.588 20.384 10.619 752 HD2 HIS 93 2HD HIS 93 -5.194 23.626 10.438 753 HE1 HIS 93 1HE HIS 93 -4.856 19.471 11.210 754 HE2 HIS 93 2HE HIS 93 -6.439 21.416 10.965 755 H HIS 94 HN HIS 94 -0.837 25.115 11.022 756 HA HIS 94 HA HIS 94 2.000 25.345 10.379 757 HB2 HIS 94 2HB HIS 94 0.836 25.977 8.300 758 HB3 HIS 94 1HB HIS 94 -0.150 27.128 9.190 759 HD1 HIS 94 1HD HIS 94 1.211 28.387 6.965 760 HD2 HIS 94 2HD HIS 94 3.183 27.820 10.586 761 HE1 HIS 94 1HE HIS 94 3.050 30.098 7.016 762 HE2 HIS 94 2HE HIS 94 4.106 29.859 9.289 Start of MODEL 3 1 H1 MET 1 H1 MET 1 17.342 5.082 11.321 2 H2 MET 1 H2 MET 1 18.914 5.657 11.601 3 H3 MET 1 H3 MET 1 18.471 5.103 10.059 4 HA MET 1 HA MET 1 17.213 7.415 11.400 5 HB2 MET 1 2HB MET 1 18.549 8.817 9.838 6 HB3 MET 1 1HB MET 1 19.526 7.979 11.034 7 HG2 MET 1 2HG MET 1 20.143 6.307 9.370 8 HG3 MET 1 1HG MET 1 19.158 7.138 8.168 9 HE1 MET 1 2HE MET 1 19.663 9.579 7.286 10 HE2 MET 1 3HE MET 1 21.048 10.547 7.796 11 HE3 MET 1 1HE MET 1 19.745 10.209 8.930 12 H VAL 2 HN VAL 2 15.267 7.741 10.544 13 HA VAL 2 HA VAL 2 14.672 6.577 7.948 14 HB VAL 2 HB VAL 2 13.043 6.120 9.654 15 HG11 VAL 2 1HG1 VAL 2 12.732 9.100 9.946 16 HG12 VAL 2 2HG1 VAL 2 13.419 7.997 11.137 17 HG13 VAL 2 3HG1 VAL 2 11.710 7.885 10.714 18 HG21 VAL 2 3HG2 VAL 2 11.001 6.978 8.573 19 HG22 VAL 2 1HG2 VAL 2 12.181 6.381 7.404 20 HG23 VAL 2 2HG2 VAL 2 11.989 8.115 7.655 21 H LYS 3 HN LYS 3 15.274 7.762 6.275 22 HA LYS 3 HA LYS 3 15.144 10.661 6.386 23 HB2 LYS 3 2HB LYS 3 16.252 10.612 4.204 24 HB3 LYS 3 1HB LYS 3 17.109 9.606 5.363 25 HG2 LYS 3 2HG LYS 3 16.216 7.611 4.379 26 HG3 LYS 3 1HG LYS 3 15.167 8.552 3.319 27 HD2 LYS 3 2HD LYS 3 17.238 9.561 2.327 28 HD3 LYS 3 1HD LYS 3 18.176 8.397 3.264 29 HE2 LYS 3 2HE LYS 3 17.043 6.561 2.155 30 HE3 LYS 3 1HE LYS 3 16.030 7.697 1.267 31 HZ1 LYS 3 3HZ LYS 3 18.152 8.599 0.306 32 HZ2 LYS 3 1HZ LYS 3 17.744 7.027 -0.180 33 HZ3 LYS 3 2HZ LYS 3 18.952 7.268 0.984 34 H ASP 4 HN ASP 4 13.419 7.993 4.988 35 HA ASP 4 HA ASP 4 11.534 9.896 3.769 36 HB2 ASP 4 2HB ASP 4 12.363 7.162 2.788 37 HB3 ASP 4 1HB ASP 4 10.949 8.016 2.185 38 H LYS 5 HN LYS 5 10.027 10.005 5.321 39 HA LYS 5 HA LYS 5 9.206 7.821 6.933 40 HB2 LYS 5 2HB LYS 5 8.972 10.159 7.646 41 HB3 LYS 5 1HB LYS 5 7.820 10.445 6.350 42 HG2 LYS 5 2HG LYS 5 6.354 8.705 7.395 43 HG3 LYS 5 1HG LYS 5 7.468 8.690 8.763 44 HD2 LYS 5 2HD LYS 5 5.993 11.121 7.751 45 HD3 LYS 5 1HD LYS 5 5.509 10.146 9.140 46 HE2 LYS 5 2HE LYS 5 7.651 10.679 10.231 47 HE3 LYS 5 1HE LYS 5 8.088 11.690 8.852 48 HZ1 LYS 5 3HZ LYS 5 7.167 12.930 10.763 49 HZ2 LYS 5 1HZ LYS 5 5.693 12.126 10.543 50 HZ3 LYS 5 2HZ LYS 5 6.288 13.157 9.330 51 H GLN 6 HN GLN 6 7.745 9.477 4.163 52 HA GLN 6 HA GLN 6 5.378 7.920 4.155 53 HB2 GLN 6 2HB GLN 6 5.534 10.171 3.166 54 HB3 GLN 6 1HB GLN 6 6.615 9.548 1.930 55 HG2 GLN 6 2HG GLN 6 4.352 9.825 1.086 56 HG3 GLN 6 1HG GLN 6 4.848 8.134 1.062 57 HE21 GLN 6 1HE2 GLN 6 3.838 6.673 2.400 58 HE22 GLN 6 2HE2 GLN 6 2.364 7.035 3.238 59 H LYS 7 HN LYS 7 8.513 7.535 2.652 60 HA LYS 7 HA LYS 7 7.700 5.554 0.774 61 HB2 LYS 7 2HB LYS 7 9.748 6.933 0.521 62 HB3 LYS 7 1HB LYS 7 10.463 6.081 1.880 63 HG2 LYS 7 2HG LYS 7 10.606 4.064 0.683 64 HG3 LYS 7 1HG LYS 7 9.516 4.642 -0.578 65 HD2 LYS 7 2HD LYS 7 11.790 4.663 -1.402 66 HD3 LYS 7 1HD LYS 7 11.206 6.319 -1.230 67 HE2 LYS 7 2HE LYS 7 12.349 6.405 0.989 68 HE3 LYS 7 1HE LYS 7 13.056 4.832 0.627 69 HZ1 LYS 7 3HZ LYS 7 14.175 5.772 -1.270 70 HZ2 LYS 7 1HZ LYS 7 14.538 6.699 0.101 71 HZ3 LYS 7 2HZ LYS 7 13.419 7.274 -1.031 72 H ALA 8 HN ALA 8 9.088 5.453 4.017 73 HA ALA 8 HA ALA 8 9.383 2.647 4.182 74 HB1 ALA 8 1HB ALA 8 10.474 4.207 5.736 75 HB2 ALA 8 2HB ALA 8 9.541 2.977 6.587 76 HB3 ALA 8 3HB ALA 8 8.902 4.613 6.424 77 H ILE 9 HN ILE 9 6.694 4.803 4.953 78 HA ILE 9 HA ILE 9 4.986 2.780 5.975 79 HB ILE 9 HB ILE 9 4.252 5.422 4.695 80 HG12 ILE 9 2HG1 ILE 9 4.560 4.674 7.610 81 HG13 ILE 9 1HG1 ILE 9 5.717 5.620 6.676 82 HG21 ILE 9 1HG2 ILE 9 2.601 3.590 6.434 83 HG22 ILE 9 2HG2 ILE 9 2.362 3.888 4.712 84 HG23 ILE 9 3HG2 ILE 9 2.121 5.191 5.875 85 HD11 ILE 9 3HD1 ILE 9 2.886 6.412 7.336 86 HD12 ILE 9 1HD1 ILE 9 4.006 7.350 6.350 87 HD13 ILE 9 2HD1 ILE 9 4.358 7.066 8.053 88 H PHE 10 HN PHE 10 5.238 4.323 2.787 89 HA PHE 10 HA PHE 10 3.234 2.920 1.461 90 HB2 PHE 10 2HB PHE 10 4.333 4.890 0.512 91 HB3 PHE 10 1HB PHE 10 5.843 4.003 0.361 92 HD1 PHE 10 2HD PHE 10 2.420 4.344 -0.942 93 HD2 PHE 10 1HD PHE 10 6.236 2.533 -1.460 94 HE1 PHE 10 2HE PHE 10 1.776 3.642 -3.212 95 HE2 PHE 10 1HE PHE 10 5.600 1.831 -3.727 96 HZ PHE 10 HZ PHE 10 3.367 2.383 -4.608 97 H SER 11 HN SER 11 6.675 2.146 1.800 98 HA SER 11 HA SER 11 6.667 -0.146 0.185 99 HB2 SER 11 2HB SER 11 8.720 1.046 0.880 100 HB3 SER 11 1HB SER 11 8.469 0.490 2.534 101 HG SER 11 HG SER 11 9.058 -1.053 0.233 102 H GLU 12 HN GLU 12 6.347 0.198 3.734 103 HA GLU 12 HA GLU 12 6.150 -2.584 4.190 104 HB2 GLU 12 2HB GLU 12 6.670 -0.812 5.932 105 HB3 GLU 12 1HB GLU 12 4.944 -0.474 5.976 106 HG2 GLU 12 2HG GLU 12 4.486 -2.757 6.655 107 HG3 GLU 12 1HG GLU 12 6.199 -3.152 6.548 108 H ASN 13 HN ASN 13 3.702 -0.098 3.612 109 HA ASN 13 HA ASN 13 1.413 -1.633 4.090 110 HB2 ASN 13 2HB ASN 13 1.988 0.711 2.313 111 HB3 ASN 13 1HB ASN 13 0.438 -0.106 2.180 112 HD21 ASN 13 1HD2 ASN 13 1.072 2.601 3.032 113 HD22 ASN 13 2HD2 ASN 13 0.405 2.770 4.622 114 H LEU 14 HN LEU 14 3.146 -1.114 1.031 115 HA LEU 14 HA LEU 14 1.549 -2.851 -0.510 116 HB2 LEU 14 2HB LEU 14 2.943 -1.144 -1.526 117 HB3 LEU 14 1HB LEU 14 4.390 -1.906 -0.900 118 HG LEU 14 HG LEU 14 3.916 -3.885 -2.340 119 HD11 LEU 14 1HD1 LEU 14 1.497 -3.562 -2.562 120 HD12 LEU 14 2HD1 LEU 14 2.289 -3.688 -4.133 121 HD13 LEU 14 3HD1 LEU 14 1.785 -2.111 -3.525 122 HD21 LEU 14 3HD2 LEU 14 4.594 -2.813 -4.433 123 HD22 LEU 14 1HD2 LEU 14 5.484 -2.162 -3.055 124 HD23 LEU 14 2HD2 LEU 14 4.160 -1.240 -3.767 125 H ASN 15 HN ASN 15 4.655 -3.320 1.128 126 HA ASN 15 HA ASN 15 5.149 -5.901 0.116 127 HB2 ASN 15 2HB ASN 15 6.783 -4.269 1.232 128 HB3 ASN 15 1HB ASN 15 6.180 -4.895 2.761 129 HD21 ASN 15 1HD2 ASN 15 8.270 -5.619 3.222 130 HD22 ASN 15 2HD2 ASN 15 8.911 -7.050 2.498 131 H SER 16 HN SER 16 3.387 -4.805 2.967 132 HA SER 16 HA SER 16 3.136 -7.322 4.223 133 HB2 SER 16 2HB SER 16 1.307 -4.911 4.332 134 HB3 SER 16 1HB SER 16 1.216 -6.294 5.421 135 HG SER 16 HG SER 16 3.219 -4.323 5.199 136 H TYR 17 HN TYR 17 1.184 -5.696 1.753 137 HA TYR 17 HA TYR 17 -0.895 -7.635 1.748 138 HB2 TYR 17 2HB TYR 17 -0.060 -5.660 -0.385 139 HB3 TYR 17 1HB TYR 17 -1.524 -6.635 -0.446 140 HD1 TYR 17 2HD TYR 17 -2.288 -6.418 2.475 141 HD2 TYR 17 1HD TYR 17 -0.988 -3.498 -0.329 142 HE1 TYR 17 2HE TYR 17 -3.482 -4.683 3.741 143 HE2 TYR 17 1HE TYR 17 -2.180 -1.754 0.928 144 HH TYR 17 HH TYR 17 -4.088 -1.602 2.506 145 H ILE 18 HN ILE 18 2.131 -7.280 0.003 146 HA ILE 18 HA ILE 18 1.749 -9.398 -1.829 147 HB ILE 18 HB ILE 18 4.357 -8.378 -0.685 148 HG12 ILE 18 2HG1 ILE 18 2.917 -7.537 -3.212 149 HG13 ILE 18 1HG1 ILE 18 2.944 -6.609 -1.717 150 HG21 ILE 18 1HG2 ILE 18 5.349 -9.243 -2.753 151 HG22 ILE 18 2HG2 ILE 18 3.781 -9.896 -3.228 152 HG23 ILE 18 3HG2 ILE 18 4.604 -10.525 -1.800 153 HD11 ILE 18 3HD1 ILE 18 4.544 -5.755 -3.343 154 HD12 ILE 18 1HD1 ILE 18 5.353 -7.320 -3.370 155 HD13 ILE 18 2HD1 ILE 18 5.351 -6.355 -1.895 156 H ALA 19 HN ALA 19 3.264 -9.252 1.375 157 HA ALA 19 HA ALA 19 4.022 -11.983 1.461 158 HB1 ALA 19 1HB ALA 19 5.066 -10.257 2.858 159 HB2 ALA 19 2HB ALA 19 4.450 -11.604 3.820 160 HB3 ALA 19 3HB ALA 19 3.557 -10.084 3.758 161 H LYS 20 HN LYS 20 1.104 -10.265 2.338 162 HA LYS 20 HA LYS 20 -0.082 -12.452 3.765 163 HB2 LYS 20 2HB LYS 20 -0.631 -10.003 4.074 164 HB3 LYS 20 1HB LYS 20 -1.481 -10.068 2.541 165 HG2 LYS 20 2HG LYS 20 -3.118 -11.528 3.384 166 HG3 LYS 20 1HG LYS 20 -2.162 -11.899 4.820 167 HD2 LYS 20 2HD LYS 20 -3.967 -10.400 5.409 168 HD3 LYS 20 1HD LYS 20 -2.423 -9.565 5.568 169 HE2 LYS 20 2HE LYS 20 -3.993 -8.074 4.534 170 HE3 LYS 20 1HE LYS 20 -2.802 -8.556 3.326 171 HZ1 LYS 20 3HZ LYS 20 -4.341 -10.001 2.313 172 HZ2 LYS 20 1HZ LYS 20 -5.177 -8.551 2.580 173 HZ3 LYS 20 2HZ LYS 20 -5.442 -9.879 3.599 174 H SER 21 HN SER 21 -0.140 -11.220 0.502 175 HA SER 21 HA SER 21 -2.153 -12.977 -0.491 176 HB2 SER 21 2HB SER 21 -1.491 -10.831 -1.591 177 HB3 SER 21 1HB SER 21 0.054 -11.557 -2.015 178 HG SER 21 HG SER 21 -1.995 -11.594 -3.504 179 H GLU 22 HN GLU 22 -1.675 -14.640 -2.202 180 HA GLU 22 HA GLU 22 0.345 -16.465 -1.223 181 HB2 GLU 22 2HB GLU 22 -1.848 -17.330 -1.894 182 HB3 GLU 22 1HB GLU 22 -1.608 -16.710 -3.522 183 HG2 GLU 22 2HG GLU 22 0.418 -18.209 -3.657 184 HG3 GLU 22 1HG GLU 22 -0.152 -18.957 -2.165 185 H LYS 23 HN LYS 23 -0.111 -14.274 -3.875 186 HA LYS 23 HA LYS 23 1.750 -15.488 -5.651 187 HB2 LYS 23 2HB LYS 23 -0.175 -13.464 -5.805 188 HB3 LYS 23 1HB LYS 23 1.354 -12.669 -6.155 189 HG2 LYS 23 2HG LYS 23 0.555 -13.345 -8.241 190 HG3 LYS 23 1HG LYS 23 1.770 -14.546 -7.821 191 HD2 LYS 23 2HD LYS 23 -1.201 -14.916 -7.421 192 HD3 LYS 23 1HD LYS 23 -0.306 -15.507 -8.818 193 HE2 LYS 23 2HE LYS 23 1.116 -16.836 -7.255 194 HE3 LYS 23 1HE LYS 23 0.052 -16.330 -5.941 195 HZ1 LYS 23 3HZ LYS 23 -1.807 -17.333 -7.273 196 HZ2 LYS 23 1HZ LYS 23 -0.689 -18.440 -6.641 197 HZ3 LYS 23 2HZ LYS 23 -0.630 -18.014 -8.279 198 H THR 24 HN THR 24 3.812 -14.766 -6.269 199 HA THR 24 HA THR 24 5.324 -13.722 -4.022 200 HB THR 24 HB THR 24 7.303 -14.448 -5.218 201 HG1 THR 24 1HG THR 24 6.648 -15.687 -7.317 202 HG21 THR 24 3HG2 THR 24 5.097 -16.514 -5.352 203 HG22 THR 24 1HG2 THR 24 6.118 -16.164 -3.956 204 HG23 THR 24 2HG2 THR 24 6.825 -16.863 -5.413 205 H GLN 25 HN GLN 25 7.083 -12.202 -4.422 206 HA GLN 25 HA GLN 25 6.393 -9.771 -5.524 207 HB2 GLN 25 2HB GLN 25 9.168 -10.948 -5.275 208 HB3 GLN 25 1HB GLN 25 8.784 -9.241 -5.416 209 HG2 GLN 25 2HG GLN 25 7.827 -9.173 -3.269 210 HG3 GLN 25 1HG GLN 25 7.768 -10.934 -3.161 211 HE21 GLN 25 1HE2 GLN 25 9.796 -8.120 -2.961 212 HE22 GLN 25 2HE2 GLN 25 11.146 -8.906 -2.231 213 H LEU 26 HN LEU 26 8.049 -12.495 -6.950 214 HA LEU 26 HA LEU 26 8.831 -11.220 -9.363 215 HB2 LEU 26 2HB LEU 26 9.320 -13.658 -8.112 216 HB3 LEU 26 1HB LEU 26 8.467 -14.093 -9.581 217 HG LEU 26 HG LEU 26 10.992 -12.443 -9.448 218 HD11 LEU 26 1HD1 LEU 26 11.410 -14.764 -8.883 219 HD12 LEU 26 2HD1 LEU 26 12.040 -14.399 -10.490 220 HD13 LEU 26 3HD1 LEU 26 10.527 -15.290 -10.319 221 HD21 LEU 26 3HD2 LEU 26 9.561 -11.822 -11.333 222 HD22 LEU 26 1HD2 LEU 26 9.482 -13.513 -11.825 223 HD23 LEU 26 2HD2 LEU 26 11.022 -12.654 -11.870 224 H GLU 27 HN GLU 27 6.088 -13.298 -8.478 225 HA GLU 27 HA GLU 27 4.926 -13.577 -10.982 226 HB2 GLU 27 2HB GLU 27 3.719 -13.468 -8.224 227 HB3 GLU 27 1HB GLU 27 2.787 -13.836 -9.659 228 HG2 GLU 27 2HG GLU 27 5.114 -15.412 -8.604 229 HG3 GLU 27 1HG GLU 27 3.411 -15.862 -8.501 230 H ILE 28 HN ILE 28 4.494 -11.053 -8.544 231 HA ILE 28 HA ILE 28 2.478 -9.626 -9.917 232 HB ILE 28 HB ILE 28 4.470 -8.550 -7.905 233 HG12 ILE 28 2HG1 ILE 28 1.689 -9.669 -7.453 234 HG13 ILE 28 1HG1 ILE 28 3.183 -10.528 -7.099 235 HG21 ILE 28 1HG2 ILE 28 1.762 -7.528 -8.759 236 HG22 ILE 28 2HG2 ILE 28 3.320 -6.794 -9.142 237 HG23 ILE 28 3HG2 ILE 28 2.755 -6.846 -7.471 238 HD11 ILE 28 3HD1 ILE 28 2.300 -7.952 -5.825 239 HD12 ILE 28 1HD1 ILE 28 3.776 -8.844 -5.454 240 HD13 ILE 28 2HD1 ILE 28 2.200 -9.557 -5.097 241 H ALA 29 HN ALA 29 6.007 -9.256 -9.790 242 HA ALA 29 HA ALA 29 6.233 -6.934 -11.323 243 HB1 ALA 29 1HB ALA 29 8.092 -7.863 -10.051 244 HB2 ALA 29 2HB ALA 29 8.546 -7.631 -11.741 245 HB3 ALA 29 3HB ALA 29 8.163 -9.246 -11.142 246 H LYS 30 HN LYS 30 6.103 -10.323 -12.306 247 HA LYS 30 HA LYS 30 6.555 -10.031 -15.044 248 HB2 LYS 30 2HB LYS 30 4.933 -12.009 -13.458 249 HB3 LYS 30 1HB LYS 30 5.103 -12.135 -15.200 250 HG2 LYS 30 2HG LYS 30 7.474 -12.039 -13.360 251 HG3 LYS 30 1HG LYS 30 6.661 -13.542 -13.803 252 HD2 LYS 30 2HD LYS 30 7.070 -13.059 -16.171 253 HD3 LYS 30 1HD LYS 30 7.894 -11.565 -15.721 254 HE2 LYS 30 2HE LYS 30 9.625 -12.791 -14.596 255 HE3 LYS 30 1HE LYS 30 8.752 -14.307 -14.810 256 HZ1 LYS 30 3HZ LYS 30 10.627 -13.908 -16.399 257 HZ2 LYS 30 1HZ LYS 30 9.704 -12.661 -17.084 258 HZ3 LYS 30 2HZ LYS 30 9.135 -14.257 -17.124 259 H SER 31 HN SER 31 3.522 -9.856 -13.219 260 HA SER 31 HA SER 31 1.916 -9.549 -15.562 261 HB2 SER 31 2HB SER 31 1.189 -9.027 -12.676 262 HB3 SER 31 1HB SER 31 0.067 -9.270 -14.011 263 HG SER 31 HG SER 31 1.522 -11.369 -14.145 264 H ILE 32 HN ILE 32 3.438 -7.348 -13.292 265 HA ILE 32 HA ILE 32 2.002 -5.020 -14.125 266 HB ILE 32 HB ILE 32 4.687 -5.226 -12.743 267 HG12 ILE 32 2HG1 ILE 32 2.840 -6.202 -11.433 268 HG13 ILE 32 1HG1 ILE 32 3.432 -4.719 -10.695 269 HG21 ILE 32 1HG2 ILE 32 4.356 -2.881 -12.129 270 HG22 ILE 32 2HG2 ILE 32 2.863 -2.843 -13.070 271 HG23 ILE 32 3HG2 ILE 32 4.412 -3.082 -13.881 272 HD11 ILE 32 3HD1 ILE 32 0.949 -4.986 -12.362 273 HD12 ILE 32 1HD1 ILE 32 1.540 -3.501 -11.619 274 HD13 ILE 32 2HD1 ILE 32 1.017 -4.846 -10.607 275 H GLY 33 HN GLY 33 5.137 -6.450 -14.963 276 HA2 GLY 33 2HA GLY 33 5.871 -6.326 -17.270 277 HA3 GLY 33 1HA GLY 33 5.142 -4.728 -17.364 278 H VAL 34 HN VAL 34 6.854 -5.515 -14.503 279 HA VAL 34 HA VAL 34 9.097 -3.828 -15.398 280 HB VAL 34 HB VAL 34 9.396 -3.157 -13.029 281 HG11 VAL 34 1HG1 VAL 34 8.153 -1.715 -14.547 282 HG12 VAL 34 2HG1 VAL 34 7.478 -1.633 -12.918 283 HG13 VAL 34 3HG1 VAL 34 6.665 -2.581 -14.164 284 HG21 VAL 34 3HG2 VAL 34 6.792 -4.622 -12.598 285 HG22 VAL 34 1HG2 VAL 34 7.572 -3.566 -11.422 286 HG23 VAL 34 2HG2 VAL 34 8.360 -5.062 -11.924 287 H SER 35 HN SER 35 11.170 -4.290 -14.380 288 HA SER 35 HA SER 35 11.688 -7.102 -14.301 289 HB2 SER 35 2HB SER 35 13.541 -4.796 -13.636 290 HB3 SER 35 1HB SER 35 14.014 -6.444 -14.061 291 HG SER 35 HG SER 35 12.845 -6.018 -16.103 292 HA PRO 36 HA PRO 36 11.089 -7.897 -10.007 293 HB2 PRO 36 2HB PRO 36 13.144 -9.724 -9.635 294 HB3 PRO 36 1HB PRO 36 11.528 -10.105 -10.240 295 HG2 PRO 36 2HG PRO 36 14.066 -9.683 -11.742 296 HG3 PRO 36 1HG PRO 36 12.746 -10.821 -12.059 297 HD2 PRO 36 2HD PRO 36 13.060 -8.566 -13.493 298 HD3 PRO 36 1HD PRO 36 11.457 -9.227 -13.119 299 H GLN 37 HN GLN 37 14.341 -7.090 -11.139 300 HA GLN 37 HA GLN 37 15.455 -6.513 -8.607 301 HB2 GLN 37 2HB GLN 37 16.128 -5.473 -11.358 302 HB3 GLN 37 1HB GLN 37 17.071 -5.094 -9.922 303 HG2 GLN 37 2HG GLN 37 17.644 -7.389 -9.609 304 HG3 GLN 37 1HG GLN 37 16.533 -7.890 -10.881 305 HE21 GLN 37 1HE2 GLN 37 18.097 -8.904 -12.074 306 HE22 GLN 37 2HE2 GLN 37 19.322 -8.037 -12.955 307 H THR 38 HN THR 38 13.503 -4.622 -10.824 308 HA THR 38 HA THR 38 13.848 -2.147 -9.406 309 HB THR 38 HB THR 38 11.648 -2.869 -11.355 310 HG1 THR 38 1HG THR 38 14.360 -2.362 -11.731 311 HG21 THR 38 3HG2 THR 38 12.878 -0.214 -10.600 312 HG22 THR 38 1HG2 THR 38 11.284 -0.788 -10.117 313 HG23 THR 38 2HG2 THR 38 11.623 -0.458 -11.815 314 H PHE 39 HN PHE 39 11.495 -4.754 -9.531 315 HA PHE 39 HA PHE 39 9.583 -3.643 -7.784 316 HB2 PHE 39 2HB PHE 39 9.350 -5.676 -9.308 317 HB3 PHE 39 1HB PHE 39 10.213 -6.582 -8.071 318 HD1 PHE 39 1HD PHE 39 9.184 -7.015 -5.896 319 HD2 PHE 39 2HD PHE 39 7.072 -4.996 -8.991 320 HE1 PHE 39 1HE PHE 39 7.069 -7.408 -4.704 321 HE2 PHE 39 2HE PHE 39 4.954 -5.388 -7.803 322 HZ PHE 39 HZ PHE 39 4.951 -6.594 -5.655 323 H ASN 40 HN ASN 40 12.527 -5.477 -7.292 324 HA ASN 40 HA ASN 40 12.278 -6.055 -4.573 325 HB2 ASN 40 2HB ASN 40 13.984 -7.143 -5.849 326 HB3 ASN 40 1HB ASN 40 14.715 -5.606 -6.295 327 HD21 ASN 40 1HD2 ASN 40 16.147 -4.653 -4.941 328 HD22 ASN 40 2HD2 ASN 40 16.692 -5.363 -3.466 329 H THR 41 HN THR 41 13.671 -3.186 -6.171 330 HA THR 41 HA THR 41 14.565 -1.988 -3.777 331 HB THR 41 HB THR 41 14.482 0.179 -5.147 332 HG1 THR 41 1HG THR 41 13.001 -1.235 -6.749 333 HG21 THR 41 3HG2 THR 41 16.464 -0.467 -6.424 334 HG22 THR 41 1HG2 THR 41 16.080 -2.168 -6.168 335 HG23 THR 41 2HG2 THR 41 16.506 -1.144 -4.797 336 H TRP 42 HN TRP 42 11.419 -2.179 -5.200 337 HA TRP 42 HA TRP 42 10.284 -0.035 -3.659 338 HB2 TRP 42 2HB TRP 42 8.899 -2.387 -4.968 339 HB3 TRP 42 1HB TRP 42 8.117 -0.932 -4.364 340 HD1 TRP 42 1HD TRP 42 10.692 0.825 -5.806 341 HE1 TRP 42 1HE TRP 42 10.372 1.352 -8.305 342 HE3 TRP 42 3HE TRP 42 7.099 -2.642 -6.920 343 HZ2 TRP 42 2HZ TRP 42 8.793 0.438 -10.456 344 HZ3 TRP 42 3HZ TRP 42 6.232 -2.745 -9.225 345 HH2 TRP 42 2HH TRP 42 7.067 -1.237 -10.954 346 H CYS 43 HN CYS 43 10.464 -3.543 -3.408 347 HA CYS 43 HA CYS 43 8.977 -3.817 -1.017 348 HB2 CYS 43 2HB CYS 43 9.310 -5.685 -2.527 349 HB3 CYS 43 1HB CYS 43 11.052 -5.601 -2.300 350 HG CYS 43 HG CYS 43 8.691 -6.754 -0.127 351 H LYS 44 HN LYS 44 12.369 -3.198 -1.664 352 HA LYS 44 HA LYS 44 13.156 -3.580 1.076 353 HB2 LYS 44 2HB LYS 44 14.624 -2.490 -1.326 354 HB3 LYS 44 1HB LYS 44 15.351 -2.771 0.239 355 HG2 LYS 44 2HG LYS 44 14.192 -4.837 -1.606 356 HG3 LYS 44 1HG LYS 44 15.894 -4.597 -1.210 357 HD2 LYS 44 2HD LYS 44 15.436 -5.197 1.119 358 HD3 LYS 44 1HD LYS 44 13.732 -5.432 0.726 359 HE2 LYS 44 2HE LYS 44 14.397 -7.197 -0.888 360 HE3 LYS 44 1HE LYS 44 16.070 -7.000 -0.365 361 HZ1 LYS 44 3HZ LYS 44 13.799 -7.840 1.362 362 HZ2 LYS 44 1HZ LYS 44 15.408 -7.647 1.874 363 HZ3 LYS 44 2HZ LYS 44 15.011 -8.859 0.751 364 H GLY 45 HN GLY 45 11.448 -1.222 -0.399 365 HA2 GLY 45 2HA GLY 45 10.851 0.901 0.241 366 HA3 GLY 45 1HA GLY 45 11.729 0.612 1.735 367 H ILE 46 HN ILE 46 13.206 0.462 -1.436 368 HA ILE 46 HA ILE 46 15.085 2.519 -0.598 369 HB ILE 46 HB ILE 46 15.089 0.769 -3.066 370 HG12 ILE 46 2HG1 ILE 46 16.722 0.592 -0.522 371 HG13 ILE 46 1HG1 ILE 46 15.381 -0.469 -0.946 372 HG21 ILE 46 1HG2 ILE 46 16.281 2.841 -3.466 373 HG22 ILE 46 2HG2 ILE 46 17.425 1.506 -3.322 374 HG23 ILE 46 3HG2 ILE 46 17.203 2.627 -1.976 375 HD11 ILE 46 3HD1 ILE 46 17.502 -1.549 -1.377 376 HD12 ILE 46 1HD1 ILE 46 17.985 -0.221 -2.433 377 HD13 ILE 46 2HD1 ILE 46 16.639 -1.263 -2.888 378 H ALA 47 HN ALA 47 12.719 1.925 -3.170 379 HA ALA 47 HA ALA 47 12.692 4.796 -3.725 380 HB1 ALA 47 1HB ALA 47 14.286 3.796 -5.317 381 HB2 ALA 47 2HB ALA 47 12.873 4.487 -6.115 382 HB3 ALA 47 3HB ALA 47 13.004 2.741 -5.910 383 H ILE 48 HN ILE 48 10.787 5.536 -4.745 384 HA ILE 48 HA ILE 48 8.532 3.644 -4.641 385 HB ILE 48 HB ILE 48 8.530 6.667 -4.438 386 HG12 ILE 48 2HG1 ILE 48 7.707 4.559 -2.436 387 HG13 ILE 48 1HG1 ILE 48 9.240 5.420 -2.410 388 HG21 ILE 48 1HG2 ILE 48 6.195 4.754 -4.451 389 HG22 ILE 48 2HG2 ILE 48 6.578 5.957 -5.682 390 HG23 ILE 48 3HG2 ILE 48 6.102 6.472 -4.065 391 HD11 ILE 48 3HD1 ILE 48 7.691 6.385 -0.820 392 HD12 ILE 48 1HD1 ILE 48 6.502 6.639 -2.097 393 HD13 ILE 48 2HD1 ILE 48 8.020 7.536 -2.114 394 HA PRO 49 HA PRO 49 8.514 3.897 -9.089 395 HB2 PRO 49 2HB PRO 49 6.043 2.811 -9.473 396 HB3 PRO 49 1HB PRO 49 7.471 1.852 -9.077 397 HG2 PRO 49 2HG PRO 49 5.309 2.850 -7.254 398 HG3 PRO 49 1HG PRO 49 6.044 1.236 -7.335 399 HD2 PRO 49 2HD PRO 49 6.798 3.020 -5.472 400 HD3 PRO 49 1HD PRO 49 7.972 1.922 -6.232 401 H ARG 50 HN ARG 50 7.405 5.029 -10.769 402 HA ARG 50 HA ARG 50 6.267 7.501 -10.039 403 HB2 ARG 50 2HB ARG 50 7.435 6.898 -12.228 404 HB3 ARG 50 1HB ARG 50 5.920 6.158 -12.724 405 HG2 ARG 50 2HG ARG 50 4.791 8.327 -12.447 406 HG3 ARG 50 1HG ARG 50 6.334 9.054 -12.001 407 HD2 ARG 50 2HD ARG 50 5.661 7.775 -14.650 408 HD3 ARG 50 1HD ARG 50 5.795 9.503 -14.331 409 HE ARG 50 HE ARG 50 8.128 7.788 -13.873 410 HH11 ARG 50 1HH1 ARG 50 6.574 10.368 -15.688 411 HH12 ARG 50 2HH1 ARG 50 8.030 10.812 -16.528 412 HH21 ARG 50 1HH2 ARG 50 10.020 8.373 -14.991 413 HH22 ARG 50 2HH2 ARG 50 9.973 9.670 -16.152 414 H MET 51 HN MET 51 4.095 8.264 -10.507 415 HA MET 51 HA MET 51 2.165 6.901 -9.120 416 HB2 MET 51 2HB MET 51 2.101 9.307 -9.695 417 HB3 MET 51 1HB MET 51 1.662 8.885 -11.344 418 HG2 MET 51 2HG MET 51 -0.391 7.826 -10.500 419 HG3 MET 51 1HG MET 51 0.050 8.321 -8.866 420 HE1 MET 51 3HE MET 51 -0.081 12.237 -9.170 421 HE2 MET 51 1HE MET 51 1.330 11.220 -9.453 422 HE3 MET 51 2HE MET 51 0.250 10.872 -8.106 423 H GLY 52 HN GLY 52 2.698 6.842 -12.621 424 HA2 GLY 52 2HA GLY 52 0.414 5.406 -13.365 425 HA3 GLY 52 1HA GLY 52 1.928 5.425 -14.253 426 H LYS 53 HN LYS 53 3.410 4.284 -11.947 427 HA LYS 53 HA LYS 53 2.811 1.507 -12.540 428 HB2 LYS 53 2HB LYS 53 5.134 3.008 -11.729 429 HB3 LYS 53 1HB LYS 53 4.897 1.637 -10.660 430 HG2 LYS 53 2HG LYS 53 6.370 1.029 -12.465 431 HG3 LYS 53 1HG LYS 53 4.855 0.141 -12.606 432 HD2 LYS 53 2HD LYS 53 5.199 2.710 -14.095 433 HD3 LYS 53 1HD LYS 53 5.955 1.241 -14.713 434 HE2 LYS 53 2HE LYS 53 3.751 0.132 -14.692 435 HE3 LYS 53 1HE LYS 53 3.020 1.639 -14.140 436 HZ1 LYS 53 3HZ LYS 53 2.798 1.321 -16.538 437 HZ2 LYS 53 1HZ LYS 53 4.488 1.295 -16.697 438 HZ3 LYS 53 2HZ LYS 53 3.707 2.708 -16.174 439 H VAL 54 HN VAL 54 2.721 3.721 -9.815 440 HA VAL 54 HA VAL 54 2.085 1.885 -7.788 441 HB VAL 54 HB VAL 54 1.124 4.744 -8.054 442 HG11 VAL 54 1HG1 VAL 54 1.341 2.975 -5.623 443 HG12 VAL 54 2HG1 VAL 54 -0.151 3.512 -6.395 444 HG13 VAL 54 3HG1 VAL 54 0.909 4.685 -5.612 445 HG21 VAL 54 3HG2 VAL 54 3.037 5.301 -6.607 446 HG22 VAL 54 1HG2 VAL 54 3.540 4.642 -8.165 447 HG23 VAL 54 2HG2 VAL 54 3.588 3.630 -6.722 448 H GLN 55 HN GLN 55 0.082 3.643 -10.096 449 HA GLN 55 HA GLN 55 -2.425 2.760 -9.211 450 HB2 GLN 55 2HB GLN 55 -2.100 4.598 -10.825 451 HB3 GLN 55 1HB GLN 55 -1.548 3.438 -12.023 452 HG2 GLN 55 2HG GLN 55 -3.841 4.104 -12.428 453 HG3 GLN 55 1HG GLN 55 -3.734 2.387 -12.048 454 HE21 GLN 55 1HE2 GLN 55 -4.595 1.627 -10.133 455 HE22 GLN 55 2HE2 GLN 55 -5.664 2.576 -9.157 456 H ALA 56 HN ALA 56 -0.086 1.319 -11.418 457 HA ALA 56 HA ALA 56 -1.699 -0.815 -12.327 458 HB1 ALA 56 1HB ALA 56 0.319 -0.126 -13.511 459 HB2 ALA 56 2HB ALA 56 0.408 -1.831 -13.071 460 HB3 ALA 56 3HB ALA 56 1.310 -0.634 -12.144 461 H LEU 57 HN LEU 57 0.557 -0.496 -9.627 462 HA LEU 57 HA LEU 57 0.486 -3.167 -8.759 463 HB2 LEU 57 2HB LEU 57 0.928 -0.635 -7.173 464 HB3 LEU 57 1HB LEU 57 1.265 -2.254 -6.596 465 HG LEU 57 HG LEU 57 2.625 -0.954 -8.952 466 HD11 LEU 57 1HD1 LEU 57 3.608 -1.398 -6.137 467 HD12 LEU 57 2HD1 LEU 57 3.223 0.159 -6.873 468 HD13 LEU 57 3HD1 LEU 57 4.577 -0.794 -7.483 469 HD21 LEU 57 3HD2 LEU 57 2.544 -3.373 -9.143 470 HD22 LEU 57 1HD2 LEU 57 3.176 -3.540 -7.502 471 HD23 LEU 57 2HD2 LEU 57 4.184 -2.839 -8.769 472 H ALA 58 HN ALA 58 -1.346 -0.320 -7.659 473 HA ALA 58 HA ALA 58 -2.969 -1.685 -5.810 474 HB1 ALA 58 1HB ALA 58 -4.400 0.282 -5.866 475 HB2 ALA 58 2HB ALA 58 -3.617 0.826 -7.349 476 HB3 ALA 58 3HB ALA 58 -2.701 0.761 -5.846 477 H ASP 59 HN ASP 59 -3.262 -1.139 -9.256 478 HA ASP 59 HA ASP 59 -5.931 -2.000 -9.604 479 HB2 ASP 59 2HB ASP 59 -4.829 -0.720 -11.319 480 HB3 ASP 59 1HB ASP 59 -3.568 -1.930 -11.486 481 H TYR 60 HN TYR 60 -2.840 -3.690 -9.728 482 HA TYR 60 HA TYR 60 -3.831 -6.170 -10.627 483 HB2 TYR 60 2HB TYR 60 -1.425 -5.461 -10.622 484 HB3 TYR 60 1HB TYR 60 -1.406 -5.734 -8.884 485 HD1 TYR 60 1HD TYR 60 -2.278 -7.509 -12.045 486 HD2 TYR 60 2HD TYR 60 -0.722 -7.804 -8.098 487 HE1 TYR 60 1HE TYR 60 -1.762 -9.879 -12.435 488 HE2 TYR 60 2HE TYR 60 -0.202 -10.179 -8.476 489 HH TYR 60 HH TYR 60 -0.167 -11.588 -11.518 490 H PHE 61 HN PHE 61 -3.444 -4.806 -7.409 491 HA PHE 61 HA PHE 61 -4.353 -7.240 -6.127 492 HB2 PHE 61 2HB PHE 61 -3.647 -4.499 -5.084 493 HB3 PHE 61 1HB PHE 61 -4.330 -5.751 -4.056 494 HD1 PHE 61 1HD PHE 61 -3.063 -7.861 -3.686 495 HD2 PHE 61 2HD PHE 61 -1.366 -4.504 -5.675 496 HE1 PHE 61 1HE PHE 61 -0.810 -8.768 -3.286 497 HE2 PHE 61 2HE PHE 61 0.889 -5.408 -5.282 498 HZ PHE 61 HZ PHE 61 1.167 -7.541 -4.087 499 H ASN 62 HN ASN 62 -5.757 -4.624 -7.657 500 HA ASN 62 HA ASN 62 -7.851 -3.805 -7.867 501 HB2 ASN 62 2HB ASN 62 -8.343 -6.293 -8.052 502 HB3 ASN 62 1HB ASN 62 -8.801 -6.245 -6.352 503 HD21 ASN 62 1HD2 ASN 62 -10.903 -6.866 -6.854 504 HD22 ASN 62 2HD2 ASN 62 -12.037 -5.774 -7.568 505 H ILE 63 HN ILE 63 -6.251 -3.018 -5.679 506 HA ILE 63 HA ILE 63 -8.246 -2.489 -3.573 507 HB ILE 63 HB ILE 63 -6.348 -2.016 -2.067 508 HG12 ILE 63 2HG1 ILE 63 -4.618 -3.049 -4.330 509 HG13 ILE 63 1HG1 ILE 63 -4.729 -1.360 -3.845 510 HG21 ILE 63 1HG2 ILE 63 -7.343 -4.242 -2.101 511 HG22 ILE 63 2HG2 ILE 63 -5.613 -4.327 -1.762 512 HG23 ILE 63 3HG2 ILE 63 -6.218 -4.736 -3.369 513 HD11 ILE 63 3HD1 ILE 63 -3.835 -1.951 -1.641 514 HD12 ILE 63 1HD1 ILE 63 -2.733 -2.388 -2.948 515 HD13 ILE 63 2HD1 ILE 63 -3.704 -3.632 -2.161 516 H ASN 64 HN ASN 64 -7.276 -0.317 -2.341 517 HA ASN 64 HA ASN 64 -7.341 1.732 -4.423 518 HB2 ASN 64 2HB ASN 64 -7.318 2.159 -1.427 519 HB3 ASN 64 1HB ASN 64 -7.744 3.329 -2.669 520 HD21 ASN 64 1HD2 ASN 64 -8.817 0.807 -0.663 521 HD22 ASN 64 2HD2 ASN 64 -10.469 0.777 -1.196 522 H LYS 65 HN LYS 65 -5.713 3.269 -4.702 523 HA LYS 65 HA LYS 65 -3.070 2.419 -4.068 524 HB2 LYS 65 2HB LYS 65 -2.337 4.541 -5.067 525 HB3 LYS 65 1HB LYS 65 -3.502 3.717 -6.091 526 HG2 LYS 65 2HG LYS 65 -5.259 5.222 -5.276 527 HG3 LYS 65 1HG LYS 65 -4.059 6.065 -4.293 528 HD2 LYS 65 2HD LYS 65 -2.818 6.664 -6.312 529 HD3 LYS 65 1HD LYS 65 -3.992 5.795 -7.299 530 HE2 LYS 65 2HE LYS 65 -4.537 8.225 -5.598 531 HE3 LYS 65 1HE LYS 65 -4.421 8.186 -7.356 532 HZ1 LYS 65 3HZ LYS 65 -6.528 7.050 -5.624 533 HZ2 LYS 65 1HZ LYS 65 -6.304 6.498 -7.215 534 HZ3 LYS 65 2HZ LYS 65 -6.689 8.124 -6.928 535 H SER 66 HN SER 66 -5.387 4.542 -2.614 536 HA SER 66 HA SER 66 -3.766 5.973 -0.854 537 HB2 SER 66 2HB SER 66 -6.605 5.008 -0.470 538 HB3 SER 66 1HB SER 66 -5.822 6.290 0.459 539 HG SER 66 HG SER 66 -5.667 7.523 -1.400 540 H ASP 67 HN ASP 67 -4.979 2.678 -0.683 541 HA ASP 67 HA ASP 67 -4.578 2.200 2.058 542 HB2 ASP 67 2HB ASP 67 -4.654 0.409 -0.352 543 HB3 ASP 67 1HB ASP 67 -4.251 -0.249 1.229 544 H LEU 68 HN LEU 68 -2.357 2.437 -0.566 545 HA LEU 68 HA LEU 68 -0.182 1.210 0.930 546 HB2 LEU 68 2HB LEU 68 -0.138 2.581 -1.759 547 HB3 LEU 68 1HB LEU 68 1.142 1.605 -1.069 548 HG LEU 68 HG LEU 68 -1.574 0.593 -1.916 549 HD11 LEU 68 1HD1 LEU 68 -0.362 -0.538 -3.694 550 HD12 LEU 68 2HD1 LEU 68 1.145 0.196 -3.147 551 HD13 LEU 68 3HD1 LEU 68 -0.144 1.210 -3.796 552 HD21 LEU 68 3HD2 LEU 68 -0.655 -0.636 -0.005 553 HD22 LEU 68 1HD2 LEU 68 0.834 -0.911 -0.906 554 HD23 LEU 68 2HD2 LEU 68 -0.680 -1.621 -1.469 555 H ILE 69 HN ILE 69 -1.579 4.281 0.413 556 HA ILE 69 HA ILE 69 0.902 5.743 0.822 557 HB ILE 69 HB ILE 69 -1.895 6.755 0.293 558 HG12 ILE 69 2HG1 ILE 69 0.524 6.567 -1.517 559 HG13 ILE 69 1HG1 ILE 69 -0.882 5.511 -1.588 560 HG21 ILE 69 1HG2 ILE 69 -0.833 8.922 -0.119 561 HG22 ILE 69 2HG2 ILE 69 0.728 8.247 0.345 562 HG23 ILE 69 3HG2 ILE 69 -0.563 8.383 1.537 563 HD11 ILE 69 3HD1 ILE 69 -0.957 7.214 -3.320 564 HD12 ILE 69 1HD1 ILE 69 -0.879 8.479 -2.094 565 HD13 ILE 69 2HD1 ILE 69 -2.286 7.418 -2.177 566 H GLU 70 HN GLU 70 -2.282 5.402 2.434 567 HA GLU 70 HA GLU 70 -1.534 7.294 4.435 568 HB2 GLU 70 2HB GLU 70 -3.711 6.613 5.481 569 HB3 GLU 70 1HB GLU 70 -3.812 7.294 3.876 570 HG2 GLU 70 2HG GLU 70 -5.301 5.558 3.765 571 HG3 GLU 70 1HG GLU 70 -3.843 4.823 3.110 572 H ASP 71 HN ASP 71 -1.363 6.947 6.654 573 HA ASP 71 HA ASP 71 0.320 4.758 7.329 574 HB2 ASP 71 2HB ASP 71 0.640 6.939 8.361 575 HB3 ASP 71 1HB ASP 71 -0.975 6.878 9.057 576 H LYS 72 HN LYS 72 -0.114 2.900 8.403 577 HA LYS 72 HA LYS 72 -2.968 2.246 8.584 578 HB2 LYS 72 2HB LYS 72 -1.255 0.963 7.124 579 HB3 LYS 72 1HB LYS 72 -0.705 0.264 8.640 580 HG2 LYS 72 2HG LYS 72 -2.216 -1.274 7.685 581 HG3 LYS 72 1HG LYS 72 -3.066 -0.504 9.023 582 HD2 LYS 72 2HD LYS 72 -4.633 -0.554 7.282 583 HD3 LYS 72 1HD LYS 72 -4.015 1.096 7.267 584 HE2 LYS 72 2HE LYS 72 -2.881 -1.056 5.495 585 HE3 LYS 72 1HE LYS 72 -4.272 -0.087 5.018 586 HZ1 LYS 72 3HZ LYS 72 -1.586 0.986 5.707 587 HZ2 LYS 72 1HZ LYS 72 -2.928 1.904 5.216 588 HZ3 LYS 72 2HZ LYS 72 -2.206 0.811 4.143 589 H LYS 73 HN LYS 73 -0.806 3.400 10.651 590 HA LYS 73 HA LYS 73 -1.101 1.459 12.793 591 HB2 LYS 73 2HB LYS 73 1.016 2.744 12.294 592 HB3 LYS 73 1HB LYS 73 0.204 4.179 12.895 593 HG2 LYS 73 2HG LYS 73 -0.157 2.948 15.050 594 HG3 LYS 73 1HG LYS 73 0.906 1.689 14.423 595 HD2 LYS 73 2HD LYS 73 2.730 3.262 14.250 596 HD3 LYS 73 1HD LYS 73 1.672 4.590 14.730 597 HE2 LYS 73 2HE LYS 73 1.304 3.422 16.899 598 HE3 LYS 73 1HE LYS 73 2.507 2.230 16.409 599 HZ1 LYS 73 3HZ LYS 73 4.160 3.976 16.286 600 HZ2 LYS 73 1HZ LYS 73 3.455 3.953 17.830 601 HZ3 LYS 73 2HZ LYS 73 3.009 5.145 16.701 602 H LEU 74 HN LEU 74 -3.437 2.827 11.732 603 HA LEU 74 HA LEU 74 -4.271 4.748 13.681 604 HB2 LEU 74 2HB LEU 74 -5.719 3.290 11.486 605 HB3 LEU 74 1HB LEU 74 -6.503 4.431 12.550 606 HG LEU 74 HG LEU 74 -4.246 5.047 10.649 607 HD11 LEU 74 1HD1 LEU 74 -6.361 4.680 9.515 608 HD12 LEU 74 2HD1 LEU 74 -5.938 6.392 9.487 609 HD13 LEU 74 3HD1 LEU 74 -7.165 5.805 10.611 610 HD21 LEU 74 3HD2 LEU 74 -4.579 7.372 11.297 611 HD22 LEU 74 1HD2 LEU 74 -4.116 6.392 12.690 612 HD23 LEU 74 2HD2 LEU 74 -5.798 6.880 12.475 613 H ASN 75 HN ASN 75 -3.693 3.272 15.463 614 HA ASN 75 HA ASN 75 -6.126 2.143 16.532 615 HB2 ASN 75 2HB ASN 75 -4.846 0.257 15.319 616 HB3 ASN 75 1HB ASN 75 -3.637 0.425 16.585 617 HD21 ASN 75 1HD2 ASN 75 -5.395 -1.817 15.883 618 HD22 ASN 75 2HD2 ASN 75 -6.257 -2.201 17.331 619 H ILE 76 HN ILE 76 -6.068 2.120 18.829 620 HA ILE 76 HA ILE 76 -4.611 4.323 19.825 621 HB ILE 76 HB ILE 76 -6.187 2.287 21.391 622 HG12 ILE 76 2HG1 ILE 76 -7.551 3.321 19.641 623 HG13 ILE 76 1HG1 ILE 76 -8.042 3.908 21.228 624 HG21 ILE 76 1HG2 ILE 76 -4.710 3.613 22.803 625 HG22 ILE 76 2HG2 ILE 76 -6.398 4.042 23.077 626 HG23 ILE 76 3HG2 ILE 76 -5.368 5.096 22.109 627 HD11 ILE 76 3HD1 ILE 76 -8.000 5.702 19.589 628 HD12 ILE 76 1HD1 ILE 76 -6.299 5.379 19.257 629 HD13 ILE 76 2HD1 ILE 76 -6.790 5.971 20.844 630 H ASP 77 HN ASP 77 -2.782 4.492 20.824 631 HA ASP 77 HA ASP 77 -1.676 2.568 22.577 632 HB2 ASP 77 2HB ASP 77 -0.949 1.501 20.479 633 HB3 ASP 77 1HB ASP 77 -0.212 3.014 19.956 634 H THR 78 HN THR 78 -1.032 3.898 24.125 635 HA THR 78 HA THR 78 -0.454 6.646 23.540 636 HB THR 78 HB THR 78 -1.660 5.974 25.609 637 HG1 THR 78 1HG THR 78 -0.137 7.928 25.319 638 HG21 THR 78 3HG2 THR 78 -0.392 5.105 27.517 639 HG22 THR 78 1HG2 THR 78 1.042 4.957 26.503 640 HG23 THR 78 2HG2 THR 78 -0.379 3.965 26.172 641 H VAL 79 HN VAL 79 1.505 7.702 23.666 642 HA VAL 79 HA VAL 79 3.881 5.964 23.828 643 HB VAL 79 HB VAL 79 3.482 8.191 21.822 644 HG11 VAL 79 1HG1 VAL 79 5.592 7.413 20.861 645 HG12 VAL 79 2HG1 VAL 79 5.747 6.226 22.159 646 HG13 VAL 79 3HG1 VAL 79 5.801 7.950 22.529 647 HG21 VAL 79 3HG2 VAL 79 3.498 5.198 21.435 648 HG22 VAL 79 1HG2 VAL 79 3.478 6.394 20.139 649 HG23 VAL 79 2HG2 VAL 79 2.114 6.274 21.248 650 HA PRO 80 HA PRO 80 4.663 9.446 26.760 651 HB2 PRO 80 2HB PRO 80 6.346 7.325 27.948 652 HB3 PRO 80 1HB PRO 80 5.161 8.382 28.724 653 HG2 PRO 80 2HG PRO 80 4.650 5.784 28.328 654 HG3 PRO 80 1HG PRO 80 3.381 7.013 28.175 655 HD2 PRO 80 2HD PRO 80 4.915 5.597 26.024 656 HD3 PRO 80 1HD PRO 80 3.187 6.010 26.094 657 H ILE 81 HN ILE 81 6.027 10.752 25.669 658 HA ILE 81 HA ILE 81 8.284 9.717 24.237 659 HB ILE 81 HB ILE 81 7.660 12.624 24.740 660 HG12 ILE 81 2HG1 ILE 81 6.765 12.354 22.267 661 HG13 ILE 81 1HG1 ILE 81 6.487 10.695 22.779 662 HG21 ILE 81 1HG2 ILE 81 9.252 11.268 22.569 663 HG22 ILE 81 2HG2 ILE 81 9.907 12.190 23.922 664 HG23 ILE 81 3HG2 ILE 81 8.937 12.998 22.691 665 HD11 ILE 81 3HD1 ILE 81 5.367 13.146 24.122 666 HD12 ILE 81 1HD1 ILE 81 5.063 11.474 24.586 667 HD13 ILE 81 2HD1 ILE 81 4.493 12.074 23.029 668 H GLU 82 HN GLU 82 10.325 9.607 24.877 669 HA GLU 82 HA GLU 82 11.061 10.632 27.494 670 HB2 GLU 82 2HB GLU 82 12.675 9.074 25.470 671 HB3 GLU 82 1HB GLU 82 13.230 9.517 27.078 672 HG2 GLU 82 2HG GLU 82 11.256 8.231 27.980 673 HG3 GLU 82 1HG GLU 82 11.025 7.621 26.341 674 H SER 83 HN SER 83 10.988 12.830 27.189 675 HA SER 83 HA SER 83 12.293 14.075 24.967 676 HB2 SER 83 2HB SER 83 10.241 15.000 26.003 677 HB3 SER 83 1HB SER 83 11.156 15.333 27.473 678 HG SER 83 HG SER 83 11.738 17.121 26.574 679 H GLY 84 HN GLY 84 14.355 14.520 24.813 680 HA2 GLY 84 2HA GLY 84 15.958 14.727 27.279 681 HA3 GLY 84 1HA GLY 84 16.591 14.327 25.687 682 H TYR 85 HN TYR 85 16.523 16.047 24.038 683 HA TYR 85 HA TYR 85 16.242 18.759 24.993 684 HB2 TYR 85 2HB TYR 85 18.569 19.389 24.316 685 HB3 TYR 85 1HB TYR 85 18.491 18.367 25.745 686 HD1 TYR 85 2HD TYR 85 19.497 18.537 22.221 687 HD2 TYR 85 1HD TYR 85 19.343 16.089 25.696 688 HE1 TYR 85 2HE TYR 85 21.082 16.972 21.179 689 HE2 TYR 85 1HE TYR 85 20.930 14.518 24.665 690 HH TYR 85 HH TYR 85 22.762 15.264 21.951 691 H THR 86 HN THR 86 16.364 20.336 23.306 692 HA THR 86 HA THR 86 15.844 19.174 20.652 693 HB THR 86 HB THR 86 14.582 21.379 20.272 694 HG1 THR 86 1HG THR 86 14.045 21.513 22.982 695 HG21 THR 86 3HG2 THR 86 13.498 19.423 22.300 696 HG22 THR 86 1HG2 THR 86 13.477 19.204 20.550 697 HG23 THR 86 2HG2 THR 86 12.545 20.508 21.288 698 H LEU 87 HN LEU 87 17.404 19.544 19.220 699 HA LEU 87 HA LEU 87 19.372 21.619 19.762 700 HB2 LEU 87 2HB LEU 87 19.262 19.413 17.712 701 HB3 LEU 87 1HB LEU 87 20.560 20.589 17.796 702 HG LEU 87 HG LEU 87 19.835 18.622 19.970 703 HD11 LEU 87 1HD1 LEU 87 21.942 17.538 19.407 704 HD12 LEU 87 2HD1 LEU 87 22.189 18.678 18.086 705 HD13 LEU 87 3HD1 LEU 87 20.844 17.538 18.027 706 HD21 LEU 87 3HD2 LEU 87 22.111 20.591 19.781 707 HD22 LEU 87 1HD2 LEU 87 21.899 19.377 21.042 708 HD23 LEU 87 2HD2 LEU 87 20.735 20.691 20.879 709 H GLU 88 HN GLU 88 19.603 23.450 18.683 710 HA GLU 88 HA GLU 88 17.659 24.327 16.807 711 HB2 GLU 88 2HB GLU 88 19.256 26.297 16.582 712 HB3 GLU 88 1HB GLU 88 18.599 25.993 18.184 713 HG2 GLU 88 2HG GLU 88 20.707 24.807 18.756 714 HG3 GLU 88 1HG GLU 88 21.356 25.306 17.194 715 H HIS 89 HN HIS 89 17.840 24.608 14.580 716 HA HIS 89 HA HIS 89 19.706 22.663 13.438 717 HB2 HIS 89 2HB HIS 89 17.313 23.870 12.052 718 HB3 HIS 89 1HB HIS 89 18.185 22.406 11.620 719 HD1 HIS 89 1HD HIS 89 17.830 20.318 13.296 720 HD2 HIS 89 2HD HIS 89 15.199 23.517 13.728 721 HE1 HIS 89 1HE HIS 89 15.889 19.437 14.636 722 HE2 HIS 89 2HE HIS 89 14.368 21.419 14.987 723 H HIS 90 HN HIS 90 21.506 24.184 13.431 724 HA HIS 90 HA HIS 90 23.020 25.378 12.222 725 HB2 HIS 90 2HB HIS 90 22.029 23.588 10.569 726 HB3 HIS 90 1HB HIS 90 21.353 24.996 9.764 727 HD1 HIS 90 1HD HIS 90 24.694 23.516 10.750 728 HD2 HIS 90 2HD HIS 90 23.096 26.312 8.115 729 HE1 HIS 90 1HE HIS 90 26.569 24.137 9.197 730 HE2 HIS 90 2HE HIS 90 25.516 25.646 7.480 731 H HIS 91 HN HIS 91 22.700 27.434 13.104 732 HA HIS 91 HA HIS 91 20.535 29.083 12.042 733 HB2 HIS 91 2HB HIS 91 22.343 29.275 14.417 734 HB3 HIS 91 1HB HIS 91 21.510 30.710 13.838 735 HD1 HIS 91 1HD HIS 91 20.626 30.196 16.482 736 HD2 HIS 91 2HD HIS 91 19.042 27.987 13.331 737 HE1 HIS 91 1HE HIS 91 18.441 29.281 17.326 738 HE2 HIS 91 2HE HIS 91 17.592 27.802 15.474 739 H HIS 92 HN HIS 92 24.054 28.970 11.988 740 HA HIS 92 HA HIS 92 25.656 30.349 11.144 741 HB2 HIS 92 2HB HIS 92 23.373 30.806 9.300 742 HB3 HIS 92 1HB HIS 92 24.661 32.001 9.267 743 HD1 HIS 92 1HD HIS 92 25.600 31.433 7.022 744 HD2 HIS 92 2HD HIS 92 25.355 28.133 9.546 745 HE1 HIS 92 1HE HIS 92 26.851 29.592 5.853 746 HE2 HIS 92 2HE HIS 92 26.775 27.633 7.436 747 H HIS 93 HN HIS 93 23.182 32.782 10.495 748 HA HIS 93 HA HIS 93 23.661 34.000 13.092 749 HB2 HIS 93 2HB HIS 93 24.079 36.237 12.145 750 HB3 HIS 93 1HB HIS 93 25.347 35.088 11.749 751 HD1 HIS 93 1HD HIS 93 25.835 34.692 9.312 752 HD2 HIS 93 2HD HIS 93 22.434 37.007 9.935 753 HE1 HIS 93 1HE HIS 93 25.247 35.661 7.063 754 HE2 HIS 93 2HE HIS 93 23.329 37.234 7.517 755 H HIS 94 HN HIS 94 21.443 32.705 11.458 756 HA HIS 94 HA HIS 94 19.503 34.438 12.702 757 HB2 HIS 94 2HB HIS 94 17.914 34.351 10.766 758 HB3 HIS 94 1HB HIS 94 19.307 35.386 10.533 759 HD1 HIS 94 1HD HIS 94 18.577 31.723 9.717 760 HD2 HIS 94 2HD HIS 94 20.116 35.172 7.988 761 HE1 HIS 94 1HE HIS 94 19.114 31.104 7.338 762 HE2 HIS 94 2HE HIS 94 19.886 33.248 6.269 Start of MODEL 4 1 H1 MET 1 H1 MET 1 17.105 -0.320 3.445 2 H2 MET 1 H2 MET 1 16.599 -0.361 5.059 3 H3 MET 1 H3 MET 1 18.195 -0.768 4.656 4 HA MET 1 HA MET 1 18.057 1.430 5.621 5 HB2 MET 1 2HB MET 1 19.226 2.652 3.758 6 HB3 MET 1 1HB MET 1 19.890 1.079 4.151 7 HG2 MET 1 2HG MET 1 18.009 1.551 1.856 8 HG3 MET 1 1HG MET 1 19.768 1.613 1.717 9 HE1 MET 1 2HE MET 1 19.837 -0.244 -0.154 10 HE2 MET 1 3HE MET 1 18.072 -0.244 -0.132 11 HE3 MET 1 1HE MET 1 18.957 -1.769 -0.043 12 H VAL 2 HN VAL 2 16.349 2.603 6.163 13 HA VAL 2 HA VAL 2 14.722 3.744 3.991 14 HB VAL 2 HB VAL 2 12.949 4.092 5.728 15 HG11 VAL 2 1HG1 VAL 2 13.805 1.234 5.273 16 HG12 VAL 2 2HG1 VAL 2 12.868 2.226 4.152 17 HG13 VAL 2 3HG1 VAL 2 12.186 1.777 5.716 18 HG21 VAL 2 3HG2 VAL 2 13.070 2.767 7.794 19 HG22 VAL 2 1HG2 VAL 2 14.331 4.000 7.730 20 HG23 VAL 2 2HG2 VAL 2 14.728 2.315 7.399 21 H LYS 3 HN LYS 3 14.671 5.889 3.753 22 HA LYS 3 HA LYS 3 16.311 7.447 5.630 23 HB2 LYS 3 2HB LYS 3 16.727 7.238 3.046 24 HB3 LYS 3 1HB LYS 3 15.461 8.451 2.940 25 HG2 LYS 3 2HG LYS 3 17.550 9.578 2.911 26 HG3 LYS 3 1HG LYS 3 16.801 9.879 4.482 27 HD2 LYS 3 2HD LYS 3 18.199 8.151 5.492 28 HD3 LYS 3 1HD LYS 3 18.923 7.806 3.921 29 HE2 LYS 3 2HE LYS 3 19.782 10.113 3.840 30 HE3 LYS 3 1HE LYS 3 19.106 10.401 5.445 31 HZ1 LYS 3 3HZ LYS 3 21.204 8.415 4.747 32 HZ2 LYS 3 1HZ LYS 3 20.516 8.601 6.289 33 HZ3 LYS 3 2HZ LYS 3 21.431 9.857 5.607 34 H ASP 4 HN ASP 4 13.088 6.992 4.650 35 HA ASP 4 HA ASP 4 12.209 9.341 6.118 36 HB2 ASP 4 2HB ASP 4 12.473 10.258 3.882 37 HB3 ASP 4 1HB ASP 4 11.555 8.923 3.191 38 H LYS 5 HN LYS 5 10.050 9.199 6.833 39 HA LYS 5 HA LYS 5 9.168 6.602 7.399 40 HB2 LYS 5 2HB LYS 5 7.867 9.293 7.672 41 HB3 LYS 5 1HB LYS 5 6.981 7.823 8.047 42 HG2 LYS 5 2HG LYS 5 8.816 7.236 9.646 43 HG3 LYS 5 1HG LYS 5 9.473 8.851 9.372 44 HD2 LYS 5 2HD LYS 5 8.053 8.723 11.390 45 HD3 LYS 5 1HD LYS 5 7.439 9.867 10.195 46 HE2 LYS 5 2HE LYS 5 5.784 8.272 9.455 47 HE3 LYS 5 1HE LYS 5 6.461 7.027 10.501 48 HZ1 LYS 5 3HZ LYS 5 5.719 8.146 12.411 49 HZ2 LYS 5 1HZ LYS 5 4.408 8.173 11.338 50 HZ3 LYS 5 2HZ LYS 5 5.351 9.567 11.560 51 H GLN 6 HN GLN 6 8.043 8.913 4.937 52 HA GLN 6 HA GLN 6 5.747 7.440 4.215 53 HB2 GLN 6 2HB GLN 6 6.023 9.799 3.619 54 HB3 GLN 6 1HB GLN 6 7.373 9.389 2.570 55 HG2 GLN 6 2HG GLN 6 5.337 9.797 1.305 56 HG3 GLN 6 1HG GLN 6 5.895 8.139 1.109 57 HE21 GLN 6 1HE2 GLN 6 4.729 6.461 2.079 58 HE22 GLN 6 2HE2 GLN 6 3.077 6.668 2.569 59 H LYS 7 HN LYS 7 9.083 7.291 3.146 60 HA LYS 7 HA LYS 7 8.609 5.482 0.996 61 HB2 LYS 7 2HB LYS 7 11.169 5.994 2.532 62 HB3 LYS 7 1HB LYS 7 11.040 5.198 0.969 63 HG2 LYS 7 2HG LYS 7 10.130 7.291 0.013 64 HG3 LYS 7 1HG LYS 7 10.368 8.074 1.575 65 HD2 LYS 7 2HD LYS 7 12.221 8.642 0.169 66 HD3 LYS 7 1HD LYS 7 12.796 7.518 1.403 67 HE2 LYS 7 2HE LYS 7 12.756 5.698 -0.155 68 HE3 LYS 7 1HE LYS 7 11.983 6.700 -1.383 69 HZ1 LYS 7 3HZ LYS 7 14.356 6.436 -1.786 70 HZ2 LYS 7 1HZ LYS 7 14.714 7.132 -0.280 71 HZ3 LYS 7 2HZ LYS 7 13.972 8.059 -1.487 72 H ALA 8 HN ALA 8 9.347 5.137 4.403 73 HA ALA 8 HA ALA 8 9.739 2.303 4.322 74 HB1 ALA 8 1HB ALA 8 10.732 3.707 6.072 75 HB2 ALA 8 2HB ALA 8 9.716 2.434 6.752 76 HB3 ALA 8 3HB ALA 8 9.117 4.090 6.672 77 H ILE 9 HN ILE 9 7.033 4.424 5.212 78 HA ILE 9 HA ILE 9 5.266 2.397 6.023 79 HB ILE 9 HB ILE 9 4.651 5.102 4.815 80 HG12 ILE 9 2HG1 ILE 9 4.719 4.161 7.695 81 HG13 ILE 9 1HG1 ILE 9 5.935 5.170 6.919 82 HG21 ILE 9 1HG2 ILE 9 2.419 4.845 5.824 83 HG22 ILE 9 2HG2 ILE 9 2.832 3.185 6.261 84 HG23 ILE 9 3HG2 ILE 9 2.732 3.652 4.563 85 HD11 ILE 9 3HD1 ILE 9 4.406 6.464 8.332 86 HD12 ILE 9 1HD1 ILE 9 3.053 5.936 7.332 87 HD13 ILE 9 2HD1 ILE 9 4.319 6.949 6.638 88 H PHE 10 HN PHE 10 5.868 3.849 2.845 89 HA PHE 10 HA PHE 10 3.846 2.526 1.429 90 HB2 PHE 10 2HB PHE 10 4.988 4.350 0.380 91 HB3 PHE 10 1HB PHE 10 6.546 3.550 0.548 92 HD1 PHE 10 1HD PHE 10 3.237 3.184 -1.103 93 HD2 PHE 10 2HD PHE 10 7.395 2.292 -1.201 94 HE1 PHE 10 1HE PHE 10 2.967 2.201 -3.343 95 HE2 PHE 10 2HE PHE 10 7.138 1.307 -3.441 96 HZ PHE 10 HZ PHE 10 4.920 1.259 -4.514 97 H SER 11 HN SER 11 7.225 1.586 1.994 98 HA SER 11 HA SER 11 7.054 -0.802 0.483 99 HB2 SER 11 2HB SER 11 9.192 -1.355 1.872 100 HB3 SER 11 1HB SER 11 9.236 -0.020 0.720 101 HG SER 11 HG SER 11 9.302 1.395 2.321 102 H GLU 12 HN GLU 12 6.663 -0.084 3.931 103 HA GLU 12 HA GLU 12 6.343 -2.772 4.752 104 HB2 GLU 12 2HB GLU 12 6.784 -0.859 6.293 105 HB3 GLU 12 1HB GLU 12 5.132 -0.315 6.032 106 HG2 GLU 12 2HG GLU 12 4.254 -2.296 7.053 107 HG3 GLU 12 1HG GLU 12 5.860 -3.014 7.146 108 H ASN 13 HN ASN 13 4.017 -0.293 3.727 109 HA ASN 13 HA ASN 13 1.669 -1.791 4.029 110 HB2 ASN 13 2HB ASN 13 2.437 0.446 2.178 111 HB3 ASN 13 1HB ASN 13 0.880 -0.354 2.003 112 HD21 ASN 13 1HD2 ASN 13 1.378 2.373 2.652 113 HD22 ASN 13 2HD2 ASN 13 0.668 2.661 4.207 114 H LEU 14 HN LEU 14 3.787 -1.441 1.210 115 HA LEU 14 HA LEU 14 2.420 -3.106 -0.543 116 HB2 LEU 14 2HB LEU 14 4.349 -1.615 -1.098 117 HB3 LEU 14 1HB LEU 14 5.416 -2.782 -0.342 118 HG LEU 14 HG LEU 14 4.718 -4.471 -2.016 119 HD11 LEU 14 1HD1 LEU 14 2.516 -3.579 -2.539 120 HD12 LEU 14 2HD1 LEU 14 3.492 -3.740 -3.999 121 HD13 LEU 14 3HD1 LEU 14 3.253 -2.152 -3.268 122 HD21 LEU 14 3HD2 LEU 14 5.966 -3.524 -3.870 123 HD22 LEU 14 1HD2 LEU 14 6.734 -3.107 -2.337 124 HD23 LEU 14 2HD2 LEU 14 5.773 -1.904 -3.199 125 H ASN 15 HN ASN 15 4.981 -3.905 1.782 126 HA ASN 15 HA ASN 15 5.157 -6.643 1.245 127 HB2 ASN 15 2HB ASN 15 5.855 -4.919 3.565 128 HB3 ASN 15 1HB ASN 15 5.764 -6.652 3.848 129 HD21 ASN 15 1HD2 ASN 15 7.434 -4.095 2.202 130 HD22 ASN 15 2HD2 ASN 15 8.805 -5.034 1.717 131 H SER 16 HN SER 16 2.897 -4.858 3.285 132 HA SER 16 HA SER 16 1.845 -6.955 4.781 133 HB2 SER 16 2HB SER 16 0.222 -4.652 3.673 134 HB3 SER 16 1HB SER 16 -0.106 -5.584 5.131 135 HG SER 16 HG SER 16 2.376 -4.510 5.214 136 H TYR 17 HN TYR 17 0.766 -5.734 1.622 137 HA TYR 17 HA TYR 17 -1.390 -7.622 1.501 138 HB2 TYR 17 2HB TYR 17 -0.342 -5.892 -0.747 139 HB3 TYR 17 1HB TYR 17 -1.948 -6.602 -0.598 140 HD1 TYR 17 1HD TYR 17 -3.227 -5.898 1.644 141 HD2 TYR 17 2HD TYR 17 -0.105 -3.669 -0.199 142 HE1 TYR 17 1HE TYR 17 -3.975 -3.877 2.825 143 HE2 TYR 17 2HE TYR 17 -0.855 -1.642 0.973 144 HH TYR 17 HH TYR 17 -2.770 -0.734 2.082 145 H ILE 18 HN ILE 18 1.862 -7.424 0.235 146 HA ILE 18 HA ILE 18 1.562 -9.557 -1.644 147 HB ILE 18 HB ILE 18 4.062 -8.387 -0.416 148 HG12 ILE 18 2HG1 ILE 18 2.780 -7.887 -3.109 149 HG13 ILE 18 1HG1 ILE 18 2.668 -6.801 -1.729 150 HG21 ILE 18 1HG2 ILE 18 5.223 -9.391 -2.349 151 HG22 ILE 18 2HG2 ILE 18 3.724 -10.207 -2.796 152 HG23 ILE 18 3HG2 ILE 18 4.521 -10.601 -1.271 153 HD11 ILE 18 3HD1 ILE 18 4.338 -6.042 -3.310 154 HD12 ILE 18 1HD1 ILE 18 5.191 -7.581 -3.170 155 HD13 ILE 18 2HD1 ILE 18 5.090 -6.499 -1.779 156 H ALA 19 HN ALA 19 2.891 -9.314 1.647 157 HA ALA 19 HA ALA 19 3.605 -12.073 1.797 158 HB1 ALA 19 1HB ALA 19 3.990 -11.667 4.161 159 HB2 ALA 19 2HB ALA 19 3.164 -10.114 4.050 160 HB3 ALA 19 3HB ALA 19 4.686 -10.366 3.196 161 H LYS 20 HN LYS 20 0.672 -10.316 2.286 162 HA LYS 20 HA LYS 20 -0.632 -12.403 3.786 163 HB2 LYS 20 2HB LYS 20 -1.247 -9.941 3.853 164 HB3 LYS 20 1HB LYS 20 -1.940 -10.154 2.256 165 HG2 LYS 20 2HG LYS 20 -3.655 -10.258 3.964 166 HG3 LYS 20 1HG LYS 20 -3.501 -11.810 3.138 167 HD2 LYS 20 2HD LYS 20 -2.119 -12.641 5.001 168 HD3 LYS 20 1HD LYS 20 -2.332 -11.098 5.831 169 HE2 LYS 20 2HE LYS 20 -4.546 -12.993 5.056 170 HE3 LYS 20 1HE LYS 20 -3.857 -12.838 6.670 171 HZ1 LYS 20 3HZ LYS 20 -4.626 -10.572 6.773 172 HZ2 LYS 20 1HZ LYS 20 -5.931 -11.596 6.418 173 HZ3 LYS 20 2HZ LYS 20 -5.227 -10.660 5.196 174 H SER 21 HN SER 21 -0.508 -11.305 0.438 175 HA SER 21 HA SER 21 -2.363 -13.228 -0.535 176 HB2 SER 21 2HB SER 21 -0.283 -11.580 -1.989 177 HB3 SER 21 1HB SER 21 -1.599 -12.472 -2.745 178 HG SER 21 HG SER 21 -1.670 -10.129 -1.217 179 H GLU 22 HN GLU 22 -1.544 -14.670 -2.456 180 HA GLU 22 HA GLU 22 0.507 -16.394 -1.248 181 HB2 GLU 22 2HB GLU 22 -1.824 -17.234 -1.608 182 HB3 GLU 22 1HB GLU 22 -1.561 -17.078 -3.337 183 HG2 GLU 22 2HG GLU 22 0.332 -18.669 -3.133 184 HG3 GLU 22 1HG GLU 22 -0.106 -18.897 -1.439 185 H LYS 23 HN LYS 23 -0.076 -14.416 -3.988 186 HA LYS 23 HA LYS 23 1.560 -15.929 -5.810 187 HB2 LYS 23 2HB LYS 23 -0.441 -14.162 -6.202 188 HB3 LYS 23 1HB LYS 23 0.941 -13.094 -6.412 189 HG2 LYS 23 2HG LYS 23 0.188 -14.018 -8.543 190 HG3 LYS 23 1HG LYS 23 1.826 -14.552 -8.149 191 HD2 LYS 23 2HD LYS 23 0.904 -16.672 -7.296 192 HD3 LYS 23 1HD LYS 23 -0.711 -16.141 -7.762 193 HE2 LYS 23 2HE LYS 23 1.602 -16.490 -9.659 194 HE3 LYS 23 1HE LYS 23 0.337 -17.687 -9.392 195 HZ1 LYS 23 3HZ LYS 23 -0.160 -16.422 -11.342 196 HZ2 LYS 23 1HZ LYS 23 -0.011 -14.958 -10.506 197 HZ3 LYS 23 2HZ LYS 23 -1.288 -16.010 -10.139 198 H THR 24 HN THR 24 3.589 -15.364 -6.602 199 HA THR 24 HA THR 24 5.329 -14.268 -4.619 200 HB THR 24 HB THR 24 7.111 -14.711 -6.347 201 HG1 THR 24 1HG THR 24 6.410 -15.931 -8.185 202 HG21 THR 24 3HG2 THR 24 6.513 -16.372 -4.639 203 HG22 THR 24 1HG2 THR 24 6.962 -17.141 -6.163 204 HG23 THR 24 2HG2 THR 24 5.263 -17.014 -5.707 205 H GLN 25 HN GLN 25 6.868 -12.593 -4.968 206 HA GLN 25 HA GLN 25 5.803 -10.191 -5.978 207 HB2 GLN 25 2HB GLN 25 8.663 -10.916 -5.308 208 HB3 GLN 25 1HB GLN 25 8.068 -9.284 -5.563 209 HG2 GLN 25 2HG GLN 25 6.624 -9.477 -3.632 210 HG3 GLN 25 1HG GLN 25 7.123 -11.150 -3.399 211 HE21 GLN 25 1HE2 GLN 25 8.016 -7.817 -3.083 212 HE22 GLN 25 2HE2 GLN 25 9.420 -8.072 -2.111 213 H LEU 26 HN LEU 26 8.067 -12.546 -7.234 214 HA LEU 26 HA LEU 26 8.850 -11.310 -9.600 215 HB2 LEU 26 2HB LEU 26 9.345 -13.680 -8.383 216 HB3 LEU 26 1HB LEU 26 8.310 -14.217 -9.692 217 HG LEU 26 HG LEU 26 10.793 -12.573 -10.107 218 HD11 LEU 26 1HD1 LEU 26 10.429 -15.562 -10.260 219 HD12 LEU 26 2HD1 LEU 26 11.428 -14.682 -9.104 220 HD13 LEU 26 3HD1 LEU 26 11.854 -14.685 -10.815 221 HD21 LEU 26 3HD2 LEU 26 9.114 -14.205 -12.010 222 HD22 LEU 26 1HD2 LEU 26 10.598 -13.346 -12.423 223 HD23 LEU 26 2HD2 LEU 26 9.166 -12.445 -11.923 224 H GLU 27 HN GLU 27 6.068 -13.419 -8.954 225 HA GLU 27 HA GLU 27 4.959 -13.438 -11.520 226 HB2 GLU 27 2HB GLU 27 4.120 -14.112 -8.806 227 HB3 GLU 27 1HB GLU 27 2.795 -13.584 -9.830 228 HG2 GLU 27 2HG GLU 27 4.742 -15.733 -10.605 229 HG3 GLU 27 1HG GLU 27 3.212 -16.049 -9.786 230 H ILE 28 HN ILE 28 4.370 -11.277 -8.774 231 HA ILE 28 HA ILE 28 2.399 -9.680 -9.962 232 HB ILE 28 HB ILE 28 4.477 -8.826 -7.931 233 HG12 ILE 28 2HG1 ILE 28 1.671 -9.871 -7.494 234 HG13 ILE 28 1HG1 ILE 28 3.132 -10.830 -7.289 235 HG21 ILE 28 1HG2 ILE 28 2.859 -7.115 -7.298 236 HG22 ILE 28 2HG2 ILE 28 1.774 -7.651 -8.580 237 HG23 ILE 28 3HG2 ILE 28 3.336 -6.938 -8.988 238 HD11 ILE 28 3HD1 ILE 28 3.867 -9.305 -5.517 239 HD12 ILE 28 1HD1 ILE 28 2.315 -10.059 -5.157 240 HD13 ILE 28 2HD1 ILE 28 2.372 -8.385 -5.707 241 H ALA 29 HN ALA 29 5.919 -9.197 -9.781 242 HA ALA 29 HA ALA 29 6.042 -6.771 -11.164 243 HB1 ALA 29 1HB ALA 29 8.153 -8.922 -11.050 244 HB2 ALA 29 2HB ALA 29 7.891 -7.678 -9.826 245 HB3 ALA 29 3HB ALA 29 8.411 -7.224 -11.451 246 H LYS 30 HN LYS 30 6.112 -10.095 -12.361 247 HA LYS 30 HA LYS 30 6.783 -9.501 -15.023 248 HB2 LYS 30 2HB LYS 30 6.916 -11.771 -14.195 249 HB3 LYS 30 1HB LYS 30 5.181 -11.803 -13.904 250 HG2 LYS 30 2HG LYS 30 4.738 -11.676 -16.267 251 HG3 LYS 30 1HG LYS 30 6.456 -11.487 -16.613 252 HD2 LYS 30 2HD LYS 30 6.876 -13.720 -15.691 253 HD3 LYS 30 1HD LYS 30 5.150 -13.905 -15.368 254 HE2 LYS 30 2HE LYS 30 5.943 -15.004 -17.473 255 HE3 LYS 30 1HE LYS 30 4.631 -13.846 -17.691 256 HZ1 LYS 30 3HZ LYS 30 6.511 -13.703 -19.331 257 HZ2 LYS 30 1HZ LYS 30 7.480 -13.124 -18.070 258 HZ3 LYS 30 2HZ LYS 30 6.109 -12.251 -18.555 259 H SER 31 HN SER 31 3.630 -9.805 -13.431 260 HA SER 31 HA SER 31 2.177 -9.294 -15.838 261 HB2 SER 31 2HB SER 31 1.282 -9.301 -12.947 262 HB3 SER 31 1HB SER 31 0.204 -9.217 -14.342 263 HG SER 31 HG SER 31 0.944 -11.391 -13.239 264 H ILE 32 HN ILE 32 3.590 -7.304 -13.377 265 HA ILE 32 HA ILE 32 2.153 -4.922 -14.035 266 HB ILE 32 HB ILE 32 4.872 -5.258 -12.752 267 HG12 ILE 32 2HG1 ILE 32 3.131 -6.212 -11.373 268 HG13 ILE 32 1HG1 ILE 32 3.641 -4.685 -10.658 269 HG21 ILE 32 1HG2 ILE 32 4.664 -2.932 -12.034 270 HG22 ILE 32 2HG2 ILE 32 3.146 -2.788 -12.920 271 HG23 ILE 32 3HG2 ILE 32 4.655 -3.055 -13.794 272 HD11 ILE 32 3HD1 ILE 32 1.170 -5.117 -12.318 273 HD12 ILE 32 1HD1 ILE 32 1.676 -3.592 -11.593 274 HD13 ILE 32 2HD1 ILE 32 1.229 -4.949 -10.562 275 H GLY 33 HN GLY 33 5.234 -6.341 -15.033 276 HA2 GLY 33 2HA GLY 33 5.802 -6.175 -17.413 277 HA3 GLY 33 1HA GLY 33 5.198 -4.524 -17.368 278 H VAL 34 HN VAL 34 7.152 -5.925 -14.835 279 HA VAL 34 HA VAL 34 9.496 -4.432 -15.770 280 HB VAL 34 HB VAL 34 9.941 -3.667 -13.447 281 HG11 VAL 34 1HG1 VAL 34 8.350 -1.815 -13.438 282 HG12 VAL 34 2HG1 VAL 34 7.344 -2.675 -14.601 283 HG13 VAL 34 3HG1 VAL 34 8.955 -2.132 -15.065 284 HG21 VAL 34 3HG2 VAL 34 7.128 -4.611 -12.921 285 HG22 VAL 34 1HG2 VAL 34 8.105 -3.642 -11.817 286 HG23 VAL 34 2HG2 VAL 34 8.603 -5.285 -12.230 287 H SER 35 HN SER 35 11.409 -4.980 -14.254 288 HA SER 35 HA SER 35 11.524 -7.870 -13.953 289 HB2 SER 35 2HB SER 35 13.674 -5.781 -13.500 290 HB3 SER 35 1HB SER 35 13.915 -7.526 -13.616 291 HG SER 35 HG SER 35 12.943 -7.293 -15.792 292 HA PRO 36 HA PRO 36 10.850 -7.982 -9.556 293 HB2 PRO 36 2HB PRO 36 13.169 -9.833 -9.420 294 HB3 PRO 36 1HB PRO 36 11.504 -10.069 -8.875 295 HG2 PRO 36 2HG PRO 36 12.415 -11.275 -11.073 296 HG3 PRO 36 1HG PRO 36 10.757 -10.654 -10.984 297 HD2 PRO 36 2HD PRO 36 13.149 -9.499 -12.360 298 HD3 PRO 36 1HD PRO 36 11.454 -9.539 -12.888 299 H GLN 37 HN GLN 37 14.051 -7.421 -10.857 300 HA GLN 37 HA GLN 37 15.422 -6.511 -8.616 301 HB2 GLN 37 2HB GLN 37 16.333 -6.874 -10.939 302 HB3 GLN 37 1HB GLN 37 15.583 -5.363 -11.410 303 HG2 GLN 37 2HG GLN 37 17.533 -5.412 -9.150 304 HG3 GLN 37 1HG GLN 37 18.107 -5.443 -10.813 305 HE21 GLN 37 1HE2 GLN 37 16.744 -3.540 -8.296 306 HE22 GLN 37 2HE2 GLN 37 16.764 -2.023 -9.133 307 H THR 38 HN THR 38 13.302 -4.737 -10.848 308 HA THR 38 HA THR 38 13.600 -2.222 -9.546 309 HB THR 38 HB THR 38 11.243 -2.996 -11.259 310 HG1 THR 38 1HG THR 38 13.609 -2.024 -12.438 311 HG21 THR 38 3HG2 THR 38 11.431 -0.679 -12.032 312 HG22 THR 38 1HG2 THR 38 12.836 -0.443 -10.994 313 HG23 THR 38 2HG2 THR 38 11.254 -0.748 -10.280 314 H PHE 39 HN PHE 39 11.457 -4.934 -9.251 315 HA PHE 39 HA PHE 39 9.472 -3.701 -7.642 316 HB2 PHE 39 2HB PHE 39 9.281 -5.855 -8.988 317 HB3 PHE 39 1HB PHE 39 10.200 -6.632 -7.703 318 HD1 PHE 39 2HD PHE 39 9.227 -6.886 -5.460 319 HD2 PHE 39 1HD PHE 39 6.978 -5.299 -8.706 320 HE1 PHE 39 2HE PHE 39 7.149 -7.294 -4.215 321 HE2 PHE 39 1HE PHE 39 4.894 -5.705 -7.460 322 HZ PHE 39 HZ PHE 39 4.980 -6.708 -5.212 323 H ASN 40 HN ASN 40 12.484 -5.384 -7.011 324 HA ASN 40 HA ASN 40 12.138 -5.670 -4.212 325 HB2 ASN 40 2HB ASN 40 13.733 -7.003 -5.624 326 HB3 ASN 40 1HB ASN 40 14.752 -5.573 -5.730 327 HD21 ASN 40 1HD2 ASN 40 16.454 -6.642 -4.708 328 HD22 ASN 40 2HD2 ASN 40 16.444 -6.971 -3.010 329 H THR 41 HN THR 41 13.663 -3.181 -6.230 330 HA THR 41 HA THR 41 14.705 -1.660 -4.090 331 HB THR 41 HB THR 41 14.521 0.268 -5.826 332 HG1 THR 41 1HG THR 41 12.955 -1.072 -7.115 333 HG21 THR 41 3HG2 THR 41 16.489 -0.564 -7.012 334 HG22 THR 41 1HG2 THR 41 16.161 -2.194 -6.424 335 HG23 THR 41 2HG2 THR 41 16.591 -0.916 -5.286 336 H TRP 42 HN TRP 42 11.515 -1.941 -5.438 337 HA TRP 42 HA TRP 42 10.443 0.349 -4.077 338 HB2 TRP 42 2HB TRP 42 9.094 -2.080 -5.281 339 HB3 TRP 42 1HB TRP 42 8.232 -0.701 -4.615 340 HD1 TRP 42 1HD TRP 42 10.666 1.227 -6.106 341 HE1 TRP 42 1HE TRP 42 10.182 1.820 -8.560 342 HE3 TRP 42 3HE TRP 42 7.205 -2.384 -7.146 343 HZ2 TRP 42 2HZ TRP 42 8.534 0.889 -10.663 344 HZ3 TRP 42 3HZ TRP 42 6.227 -2.469 -9.402 345 HH2 TRP 42 2HH TRP 42 6.882 -0.869 -11.125 346 H CYS 43 HN CYS 43 10.654 -3.113 -3.504 347 HA CYS 43 HA CYS 43 9.047 -3.225 -1.196 348 HB2 CYS 43 2HB CYS 43 9.770 -5.147 -2.681 349 HB3 CYS 43 1HB CYS 43 11.334 -5.078 -1.881 350 HG CYS 43 HG CYS 43 10.622 -6.163 0.426 351 H LYS 44 HN LYS 44 12.413 -2.458 -1.696 352 HA LYS 44 HA LYS 44 12.982 -2.458 1.141 353 HB2 LYS 44 2HB LYS 44 14.533 -2.217 -1.362 354 HB3 LYS 44 1HB LYS 44 15.178 -1.369 0.034 355 HG2 LYS 44 2HG LYS 44 14.434 -4.279 0.050 356 HG3 LYS 44 1HG LYS 44 16.054 -3.676 -0.290 357 HD2 LYS 44 2HD LYS 44 16.171 -2.643 1.902 358 HD3 LYS 44 1HD LYS 44 14.507 -3.122 2.239 359 HE2 LYS 44 2HE LYS 44 16.801 -5.016 1.739 360 HE3 LYS 44 1HE LYS 44 16.179 -4.576 3.330 361 HZ1 LYS 44 3HZ LYS 44 15.190 -6.615 2.769 362 HZ2 LYS 44 1HZ LYS 44 14.804 -6.108 1.197 363 HZ3 LYS 44 2HZ LYS 44 13.975 -5.457 2.525 364 H GLY 45 HN GLY 45 11.303 -0.412 -0.707 365 HA2 GLY 45 2HA GLY 45 10.661 1.776 -0.449 366 HA3 GLY 45 1HA GLY 45 11.406 1.707 1.139 367 H ILE 46 HN ILE 46 13.217 1.134 -1.788 368 HA ILE 46 HA ILE 46 15.041 3.256 -1.151 369 HB ILE 46 HB ILE 46 14.899 1.508 -3.617 370 HG12 ILE 46 2HG1 ILE 46 16.633 1.274 -1.147 371 HG13 ILE 46 1HG1 ILE 46 15.235 0.265 -1.498 372 HG21 ILE 46 1HG2 ILE 46 16.143 3.571 -4.020 373 HG22 ILE 46 2HG2 ILE 46 17.231 2.181 -3.981 374 HG23 ILE 46 3HG2 ILE 46 17.133 3.266 -2.592 375 HD11 ILE 46 3HD1 ILE 46 17.775 0.409 -3.099 376 HD12 ILE 46 1HD1 ILE 46 16.371 -0.584 -3.492 377 HD13 ILE 46 2HD1 ILE 46 17.286 -0.896 -2.017 378 H ALA 47 HN ALA 47 12.595 2.626 -3.597 379 HA ALA 47 HA ALA 47 12.345 5.494 -4.056 380 HB1 ALA 47 1HB ALA 47 12.736 3.521 -6.312 381 HB2 ALA 47 2HB ALA 47 13.899 4.739 -5.790 382 HB3 ALA 47 3HB ALA 47 12.360 5.235 -6.488 383 H ILE 48 HN ILE 48 10.267 6.107 -4.345 384 HA ILE 48 HA ILE 48 8.235 4.007 -4.415 385 HB ILE 48 HB ILE 48 7.967 6.993 -4.028 386 HG12 ILE 48 2HG1 ILE 48 7.546 4.722 -2.081 387 HG13 ILE 48 1HG1 ILE 48 9.014 5.686 -2.171 388 HG21 ILE 48 1HG2 ILE 48 5.859 4.841 -3.906 389 HG22 ILE 48 2HG2 ILE 48 5.984 6.110 -5.124 390 HG23 ILE 48 3HG2 ILE 48 5.625 6.530 -3.448 391 HD11 ILE 48 3HD1 ILE 48 6.270 6.742 -1.534 392 HD12 ILE 48 1HD1 ILE 48 7.768 7.672 -1.556 393 HD13 ILE 48 2HD1 ILE 48 7.539 6.399 -0.357 394 HA PRO 49 HA PRO 49 8.090 4.368 -8.827 395 HB2 PRO 49 2HB PRO 49 5.744 2.981 -9.157 396 HB3 PRO 49 1HB PRO 49 7.314 2.215 -8.904 397 HG2 PRO 49 2HG PRO 49 5.162 2.805 -6.901 398 HG3 PRO 49 1HG PRO 49 6.122 1.326 -7.111 399 HD2 PRO 49 2HD PRO 49 6.736 3.099 -5.196 400 HD3 PRO 49 1HD PRO 49 8.012 2.267 -6.114 401 H ARG 50 HN ARG 50 6.961 5.521 -10.379 402 HA ARG 50 HA ARG 50 5.559 7.781 -9.425 403 HB2 ARG 50 2HB ARG 50 5.727 6.814 -12.283 404 HB3 ARG 50 1HB ARG 50 5.433 8.460 -11.735 405 HG2 ARG 50 2HG ARG 50 7.681 8.548 -10.781 406 HG3 ARG 50 1HG ARG 50 7.977 6.895 -11.324 407 HD2 ARG 50 2HD ARG 50 8.989 8.279 -12.929 408 HD3 ARG 50 1HD ARG 50 7.484 7.731 -13.663 409 HE ARG 50 HE ARG 50 6.656 10.026 -12.716 410 HH11 ARG 50 1HH1 ARG 50 9.767 9.327 -14.169 411 HH12 ARG 50 2HH1 ARG 50 9.972 10.940 -14.803 412 HH21 ARG 50 1HH2 ARG 50 6.915 12.133 -13.548 413 HH22 ARG 50 2HH2 ARG 50 8.339 12.523 -14.471 414 H MET 51 HN MET 51 3.386 8.460 -10.318 415 HA MET 51 HA MET 51 1.527 6.728 -9.163 416 HB2 MET 51 2HB MET 51 -0.189 8.277 -9.856 417 HB3 MET 51 1HB MET 51 1.223 9.171 -9.317 418 HG2 MET 51 2HG MET 51 0.616 10.347 -11.181 419 HG3 MET 51 1HG MET 51 1.803 9.234 -11.856 420 HE1 MET 51 3HE MET 51 -2.765 8.562 -12.187 421 HE2 MET 51 1HE MET 51 -2.053 9.968 -11.390 422 HE3 MET 51 2HE MET 51 -1.844 8.360 -10.697 423 H GLY 52 HN GLY 52 2.553 6.974 -12.490 424 HA2 GLY 52 2HA GLY 52 0.384 5.547 -13.644 425 HA3 GLY 52 1HA GLY 52 1.979 5.753 -14.355 426 H LYS 53 HN LYS 53 3.265 4.540 -11.969 427 HA LYS 53 HA LYS 53 2.970 1.778 -12.820 428 HB2 LYS 53 2HB LYS 53 5.103 3.358 -11.818 429 HB3 LYS 53 1HB LYS 53 4.824 2.073 -10.651 430 HG2 LYS 53 2HG LYS 53 6.497 1.434 -12.301 431 HG3 LYS 53 1HG LYS 53 5.066 0.405 -12.413 432 HD2 LYS 53 2HD LYS 53 4.262 1.748 -14.301 433 HD3 LYS 53 1HD LYS 53 5.708 2.753 -14.193 434 HE2 LYS 53 2HE LYS 53 7.105 0.817 -14.675 435 HE3 LYS 53 1HE LYS 53 5.673 -0.210 -14.748 436 HZ1 LYS 53 3HZ LYS 53 6.356 2.021 -16.583 437 HZ2 LYS 53 1HZ LYS 53 4.879 1.184 -16.603 438 HZ3 LYS 53 2HZ LYS 53 6.323 0.364 -16.955 439 H VAL 54 HN VAL 54 2.352 3.803 -10.037 440 HA VAL 54 HA VAL 54 1.704 1.797 -8.173 441 HB VAL 54 HB VAL 54 0.521 4.577 -8.373 442 HG11 VAL 54 1HG1 VAL 54 0.120 4.335 -5.959 443 HG12 VAL 54 2HG1 VAL 54 0.701 2.672 -6.039 444 HG13 VAL 54 3HG1 VAL 54 -0.767 3.135 -6.901 445 HG21 VAL 54 3HG2 VAL 54 2.262 5.243 -6.796 446 HG22 VAL 54 1HG2 VAL 54 2.965 4.628 -8.294 447 HG23 VAL 54 2HG2 VAL 54 2.942 3.614 -6.849 448 H GLN 55 HN GLN 55 -0.164 3.391 -10.699 449 HA GLN 55 HA GLN 55 -2.701 2.410 -10.102 450 HB2 GLN 55 2HB GLN 55 -1.408 3.083 -12.738 451 HB3 GLN 55 1HB GLN 55 -3.094 2.603 -12.608 452 HG2 GLN 55 2HG GLN 55 -1.848 4.979 -11.243 453 HG3 GLN 55 1HG GLN 55 -2.828 5.032 -12.704 454 HE21 GLN 55 1HE2 GLN 55 -2.844 4.570 -9.262 455 HE22 GLN 55 2HE2 GLN 55 -4.559 4.655 -9.048 456 H ALA 56 HN ALA 56 -0.098 0.918 -11.979 457 HA ALA 56 HA ALA 56 -1.535 -1.362 -12.794 458 HB1 ALA 56 1HB ALA 56 0.578 -0.674 -13.822 459 HB2 ALA 56 2HB ALA 56 0.640 -2.347 -13.269 460 HB3 ALA 56 3HB ALA 56 1.433 -1.079 -12.332 461 H LEU 57 HN LEU 57 0.564 -0.764 -9.989 462 HA LEU 57 HA LEU 57 0.428 -3.339 -8.875 463 HB2 LEU 57 2HB LEU 57 0.854 -0.654 -7.573 464 HB3 LEU 57 1HB LEU 57 1.053 -2.182 -6.744 465 HG LEU 57 HG LEU 57 2.653 -1.312 -9.147 466 HD11 LEU 57 1HD1 LEU 57 3.398 -1.363 -6.223 467 HD12 LEU 57 2HD1 LEU 57 3.153 0.077 -7.215 468 HD13 LEU 57 3HD1 LEU 57 4.497 -1.016 -7.559 469 HD21 LEU 57 3HD2 LEU 57 2.958 -3.673 -7.290 470 HD22 LEU 57 1HD2 LEU 57 4.087 -3.222 -8.571 471 HD23 LEU 57 2HD2 LEU 57 2.447 -3.729 -8.978 472 H ALA 58 HN ALA 58 -1.479 -0.421 -8.203 473 HA ALA 58 HA ALA 58 -3.101 -1.533 -6.199 474 HB1 ALA 58 1HB ALA 58 -3.719 0.747 -8.072 475 HB2 ALA 58 2HB ALA 58 -2.874 0.875 -6.527 476 HB3 ALA 58 3HB ALA 58 -4.567 0.381 -6.570 477 H ASP 59 HN ASP 59 -3.442 -1.415 -9.692 478 HA ASP 59 HA ASP 59 -6.130 -2.318 -9.791 479 HB2 ASP 59 2HB ASP 59 -5.016 -1.111 -11.653 480 HB3 ASP 59 1HB ASP 59 -3.987 -2.513 -11.919 481 H TYR 60 HN TYR 60 -3.005 -3.915 -9.952 482 HA TYR 60 HA TYR 60 -3.832 -6.488 -10.648 483 HB2 TYR 60 2HB TYR 60 -1.475 -5.723 -10.593 484 HB3 TYR 60 1HB TYR 60 -1.542 -5.693 -8.838 485 HD1 TYR 60 1HD TYR 60 -1.703 -7.936 -11.786 486 HD2 TYR 60 2HD TYR 60 -1.165 -7.662 -7.573 487 HE1 TYR 60 1HE TYR 60 -0.997 -10.291 -11.726 488 HE2 TYR 60 2HE TYR 60 -0.459 -10.016 -7.504 489 HH TYR 60 HH TYR 60 -0.743 -12.058 -8.849 490 H PHE 61 HN PHE 61 -3.554 -4.947 -7.473 491 HA PHE 61 HA PHE 61 -4.477 -7.358 -6.133 492 HB2 PHE 61 2HB PHE 61 -3.641 -4.637 -5.139 493 HB3 PHE 61 1HB PHE 61 -4.304 -5.873 -4.078 494 HD1 PHE 61 2HD PHE 61 -3.042 -7.892 -3.581 495 HD2 PHE 61 1HD PHE 61 -1.418 -4.811 -6.024 496 HE1 PHE 61 2HE PHE 61 -0.798 -8.854 -3.291 497 HE2 PHE 61 1HE PHE 61 0.832 -5.765 -5.737 498 HZ PHE 61 HZ PHE 61 1.144 -7.789 -4.369 499 H ASN 62 HN ASN 62 -5.872 -4.723 -7.634 500 HA ASN 62 HA ASN 62 -7.906 -3.750 -7.682 501 HB2 ASN 62 2HB ASN 62 -8.652 -6.166 -7.754 502 HB3 ASN 62 1HB ASN 62 -8.905 -6.067 -6.015 503 HD21 ASN 62 1HD2 ASN 62 -10.690 -5.059 -5.232 504 HD22 ASN 62 2HD2 ASN 62 -11.954 -4.420 -6.230 505 H ILE 63 HN ILE 63 -6.232 -2.673 -5.992 506 HA ILE 63 HA ILE 63 -7.916 -1.919 -3.698 507 HB ILE 63 HB ILE 63 -5.855 -1.435 -2.411 508 HG12 ILE 63 2HG1 ILE 63 -4.436 -2.920 -4.635 509 HG13 ILE 63 1HG1 ILE 63 -4.332 -1.186 -4.360 510 HG21 ILE 63 1HG2 ILE 63 -6.137 -4.290 -3.338 511 HG22 ILE 63 2HG2 ILE 63 -7.033 -3.517 -2.030 512 HG23 ILE 63 3HG2 ILE 63 -5.295 -3.770 -1.879 513 HD11 ILE 63 3HD1 ILE 63 -2.383 -2.365 -3.502 514 HD12 ILE 63 1HD1 ILE 63 -3.422 -3.325 -2.451 515 HD13 ILE 63 2HD1 ILE 63 -3.284 -1.583 -2.201 516 H ASN 64 HN ASN 64 -6.712 0.281 -2.792 517 HA ASN 64 HA ASN 64 -6.836 2.062 -5.131 518 HB2 ASN 64 2HB ASN 64 -8.314 2.295 -2.971 519 HB3 ASN 64 1HB ASN 64 -6.875 3.039 -2.296 520 HD21 ASN 64 1HD2 ASN 64 -8.116 4.961 -2.092 521 HD22 ASN 64 2HD2 ASN 64 -8.395 5.983 -3.466 522 H LYS 65 HN LYS 65 -5.327 3.844 -5.275 523 HA LYS 65 HA LYS 65 -2.655 3.090 -4.830 524 HB2 LYS 65 2HB LYS 65 -2.049 5.316 -5.589 525 HB3 LYS 65 1HB LYS 65 -3.329 4.668 -6.598 526 HG2 LYS 65 2HG LYS 65 -4.964 6.024 -5.370 527 HG3 LYS 65 1HG LYS 65 -3.652 6.699 -4.400 528 HD2 LYS 65 2HD LYS 65 -2.602 7.527 -6.490 529 HD3 LYS 65 1HD LYS 65 -4.008 6.951 -7.384 530 HE2 LYS 65 2HE LYS 65 -3.992 9.048 -5.219 531 HE3 LYS 65 1HE LYS 65 -4.197 9.332 -6.945 532 HZ1 LYS 65 3HZ LYS 65 -6.332 9.376 -5.961 533 HZ2 LYS 65 1HZ LYS 65 -6.057 7.930 -5.114 534 HZ3 LYS 65 2HZ LYS 65 -6.221 7.904 -6.800 535 H SER 66 HN SER 66 -4.938 4.848 -2.885 536 HA SER 66 HA SER 66 -3.073 6.083 -1.132 537 HB2 SER 66 2HB SER 66 -5.112 6.288 0.377 538 HB3 SER 66 1HB SER 66 -5.274 7.008 -1.226 539 HG SER 66 HG SER 66 -6.313 4.523 -0.311 540 H ASP 67 HN ASP 67 -4.533 2.942 -1.316 541 HA ASP 67 HA ASP 67 -4.251 2.137 1.368 542 HB2 ASP 67 2HB ASP 67 -4.240 0.373 -1.094 543 HB3 ASP 67 1HB ASP 67 -4.611 -0.130 0.549 544 H LEU 68 HN LEU 68 -1.995 2.367 -1.224 545 HA LEU 68 HA LEU 68 -0.019 0.707 0.135 546 HB2 LEU 68 2HB LEU 68 0.062 2.175 -2.500 547 HB3 LEU 68 1HB LEU 68 1.380 1.209 -1.868 548 HG LEU 68 HG LEU 68 -1.361 0.131 -2.526 549 HD11 LEU 68 1HD1 LEU 68 -0.198 0.885 -4.535 550 HD12 LEU 68 2HD1 LEU 68 -0.285 -0.873 -4.472 551 HD13 LEU 68 3HD1 LEU 68 1.222 -0.052 -4.074 552 HD21 LEU 68 3HD2 LEU 68 -0.202 -1.137 -0.800 553 HD22 LEU 68 1HD2 LEU 68 1.228 -1.250 -1.826 554 HD23 LEU 68 2HD2 LEU 68 -0.269 -2.047 -2.308 555 H ILE 69 HN ILE 69 -0.791 4.049 -0.410 556 HA ILE 69 HA ILE 69 1.914 4.938 0.185 557 HB ILE 69 HB ILE 69 -0.546 6.542 -0.526 558 HG12 ILE 69 2HG1 ILE 69 0.244 5.048 -2.343 559 HG13 ILE 69 1HG1 ILE 69 0.448 6.749 -2.741 560 HG21 ILE 69 1HG2 ILE 69 1.021 8.389 -0.928 561 HG22 ILE 69 2HG2 ILE 69 2.341 7.385 -0.326 562 HG23 ILE 69 3HG2 ILE 69 1.034 7.863 0.756 563 HD11 ILE 69 3HD1 ILE 69 2.367 5.463 -3.453 564 HD12 ILE 69 1HD1 ILE 69 2.606 4.869 -1.809 565 HD13 ILE 69 2HD1 ILE 69 2.826 6.581 -2.168 566 H GLU 70 HN GLU 70 -1.360 5.321 1.582 567 HA GLU 70 HA GLU 70 -0.429 7.175 3.533 568 HB2 GLU 70 2HB GLU 70 -3.037 5.809 3.007 569 HB3 GLU 70 1HB GLU 70 -2.795 6.757 4.461 570 HG2 GLU 70 2HG GLU 70 -2.523 7.740 1.631 571 HG3 GLU 70 1HG GLU 70 -3.852 8.087 2.740 572 H ASP 71 HN ASP 71 -0.744 6.928 5.830 573 HA ASP 71 HA ASP 71 0.699 4.668 6.771 574 HB2 ASP 71 2HB ASP 71 0.954 6.937 7.722 575 HB3 ASP 71 1HB ASP 71 -0.691 6.850 8.340 576 H LYS 72 HN LYS 72 0.041 3.053 8.188 577 HA LYS 72 HA LYS 72 -2.777 2.349 7.801 578 HB2 LYS 72 2HB LYS 72 -0.919 0.861 6.966 579 HB3 LYS 72 1HB LYS 72 -0.492 0.556 8.642 580 HG2 LYS 72 2HG LYS 72 -2.499 -0.606 9.050 581 HG3 LYS 72 1HG LYS 72 -3.234 -0.011 7.559 582 HD2 LYS 72 2HD LYS 72 -0.830 -1.832 7.669 583 HD3 LYS 72 1HD LYS 72 -2.489 -2.382 7.424 584 HE2 LYS 72 2HE LYS 72 -2.661 -1.142 5.377 585 HE3 LYS 72 1HE LYS 72 -1.100 -0.377 5.657 586 HZ1 LYS 72 3HZ LYS 72 -0.025 -2.503 5.401 587 HZ2 LYS 72 1HZ LYS 72 -0.975 -2.173 4.039 588 HZ3 LYS 72 2HZ LYS 72 -1.516 -3.278 5.199 589 H LYS 73 HN LYS 73 -1.273 4.003 10.005 590 HA LYS 73 HA LYS 73 -2.079 2.605 12.389 591 HB2 LYS 73 2HB LYS 73 -0.047 4.096 12.157 592 HB3 LYS 73 1HB LYS 73 -1.146 5.459 12.080 593 HG2 LYS 73 2HG LYS 73 -1.436 3.677 14.410 594 HG3 LYS 73 1HG LYS 73 0.040 4.634 14.314 595 HD2 LYS 73 2HD LYS 73 -1.319 6.668 14.046 596 HD3 LYS 73 1HD LYS 73 -2.783 5.696 14.190 597 HE2 LYS 73 2HE LYS 73 -2.062 5.007 16.448 598 HE3 LYS 73 1HE LYS 73 -0.653 6.056 16.294 599 HZ1 LYS 73 3HZ LYS 73 -2.225 7.934 15.972 600 HZ2 LYS 73 1HZ LYS 73 -2.315 7.220 17.508 601 HZ3 LYS 73 2HZ LYS 73 -3.503 6.881 16.351 602 H LEU 74 HN LEU 74 -3.788 3.947 10.097 603 HA LEU 74 HA LEU 74 -5.504 5.758 11.499 604 HB2 LEU 74 2HB LEU 74 -5.710 4.439 8.797 605 HB3 LEU 74 1HB LEU 74 -6.829 5.637 9.395 606 HG LEU 74 HG LEU 74 -3.891 6.096 8.896 607 HD11 LEU 74 1HD1 LEU 74 -5.135 5.805 6.829 608 HD12 LEU 74 2HD1 LEU 74 -4.660 7.489 7.033 609 HD13 LEU 74 3HD1 LEU 74 -6.321 6.998 7.356 610 HD21 LEU 74 3HD2 LEU 74 -6.078 8.016 9.694 611 HD22 LEU 74 1HD2 LEU 74 -4.422 8.455 9.274 612 HD23 LEU 74 2HD2 LEU 74 -4.740 7.482 10.713 613 H ASN 75 HN ASN 75 -5.177 2.747 12.082 614 HA ASN 75 HA ASN 75 -6.378 1.140 13.101 615 HB2 ASN 75 2HB ASN 75 -7.562 2.914 14.288 616 HB3 ASN 75 1HB ASN 75 -8.688 3.083 12.944 617 HD21 ASN 75 1HD2 ASN 75 -7.635 1.031 15.563 618 HD22 ASN 75 2HD2 ASN 75 -9.057 0.050 15.621 619 H ILE 76 HN ILE 76 -6.128 -0.282 11.458 620 HA ILE 76 HA ILE 76 -8.482 -0.634 9.714 621 HB ILE 76 HB ILE 76 -5.605 -1.438 9.233 622 HG12 ILE 76 2HG1 ILE 76 -6.070 -0.208 7.038 623 HG13 ILE 76 1HG1 ILE 76 -7.528 0.401 7.813 624 HG21 ILE 76 1HG2 ILE 76 -8.008 -2.207 7.589 625 HG22 ILE 76 2HG2 ILE 76 -7.056 -3.293 8.601 626 HG23 ILE 76 3HG2 ILE 76 -6.323 -2.539 7.186 627 HD11 ILE 76 3HD1 ILE 76 -4.688 0.883 8.704 628 HD12 ILE 76 1HD1 ILE 76 -6.125 1.436 9.561 629 HD13 ILE 76 2HD1 ILE 76 -5.772 2.051 7.945 630 H ASP 77 HN ASP 77 -9.484 -2.610 9.736 631 HA ASP 77 HA ASP 77 -8.998 -4.180 12.096 632 HB2 ASP 77 2HB ASP 77 -11.305 -3.542 11.529 633 HB3 ASP 77 1HB ASP 77 -11.192 -4.452 10.026 634 H THR 78 HN THR 78 -7.091 -5.164 11.592 635 HA THR 78 HA THR 78 -7.351 -7.400 9.691 636 HB THR 78 HB THR 78 -5.665 -5.637 9.025 637 HG1 THR 78 1HG THR 78 -5.428 -7.674 8.159 638 HG21 THR 78 3HG2 THR 78 -4.799 -5.086 11.238 639 HG22 THR 78 1HG2 THR 78 -3.497 -5.645 10.185 640 HG23 THR 78 2HG2 THR 78 -4.164 -6.720 11.413 641 H VAL 79 HN VAL 79 -5.777 -9.237 10.305 642 HA VAL 79 HA VAL 79 -5.892 -9.602 13.230 643 HB VAL 79 HB VAL 79 -5.982 -11.795 11.148 644 HG11 VAL 79 1HG1 VAL 79 -5.025 -12.523 13.265 645 HG12 VAL 79 2HG1 VAL 79 -6.623 -13.231 13.032 646 HG13 VAL 79 3HG1 VAL 79 -6.414 -11.871 14.135 647 HG21 VAL 79 3HG2 VAL 79 -8.232 -10.666 12.810 648 HG22 VAL 79 1HG2 VAL 79 -8.337 -12.043 11.711 649 HG23 VAL 79 2HG2 VAL 79 -8.011 -10.429 11.073 650 HA PRO 80 HA PRO 80 -1.453 -10.045 12.291 651 HB2 PRO 80 2HB PRO 80 -0.528 -8.098 13.852 652 HB3 PRO 80 1HB PRO 80 -1.316 -7.730 12.313 653 HG2 PRO 80 2HG PRO 80 -2.321 -7.380 15.078 654 HG3 PRO 80 1HG PRO 80 -2.746 -6.496 13.604 655 HD2 PRO 80 2HD PRO 80 -4.161 -8.672 14.837 656 HD3 PRO 80 1HD PRO 80 -4.585 -7.793 13.355 657 H ILE 81 HN ILE 81 0.465 -10.266 13.877 658 HA ILE 81 HA ILE 81 -0.381 -11.295 16.488 659 HB ILE 81 HB ILE 81 -0.001 -13.247 15.155 660 HG12 ILE 81 2HG1 ILE 81 2.417 -12.769 16.902 661 HG13 ILE 81 1HG1 ILE 81 0.830 -13.263 17.482 662 HG21 ILE 81 1HG2 ILE 81 2.174 -13.695 14.060 663 HG22 ILE 81 2HG2 ILE 81 2.671 -12.046 14.443 664 HG23 ILE 81 3HG2 ILE 81 1.312 -12.327 13.354 665 HD11 ILE 81 3HD1 ILE 81 2.338 -15.149 17.357 666 HD12 ILE 81 1HD1 ILE 81 2.615 -14.839 15.647 667 HD13 ILE 81 2HD1 ILE 81 1.018 -15.336 16.204 668 H GLU 82 HN GLU 82 0.919 -10.732 18.166 669 HA GLU 82 HA GLU 82 3.132 -8.920 17.481 670 HB2 GLU 82 2HB GLU 82 1.400 -9.012 19.954 671 HB3 GLU 82 1HB GLU 82 2.770 -7.935 19.734 672 HG2 GLU 82 2HG GLU 82 1.616 -6.989 17.739 673 HG3 GLU 82 1HG GLU 82 0.208 -7.963 18.164 674 H SER 83 HN SER 83 5.087 -9.645 17.830 675 HA SER 83 HA SER 83 5.605 -11.986 19.397 676 HB2 SER 83 2HB SER 83 7.595 -10.051 18.189 677 HB3 SER 83 1HB SER 83 7.898 -11.720 18.679 678 HG SER 83 HG SER 83 6.258 -12.302 17.072 679 H GLY 84 HN GLY 84 7.004 -12.086 21.234 680 HA2 GLY 84 2HA GLY 84 6.838 -9.626 22.863 681 HA3 GLY 84 1HA GLY 84 6.732 -11.255 23.518 682 H TYR 85 HN TYR 85 8.809 -12.567 22.491 683 HA TYR 85 HA TYR 85 11.236 -11.046 22.600 684 HB2 TYR 85 2HB TYR 85 12.169 -12.106 24.606 685 HB3 TYR 85 1HB TYR 85 10.741 -11.165 25.004 686 HD1 TYR 85 1HD TYR 85 8.560 -12.389 25.411 687 HD2 TYR 85 2HD TYR 85 12.298 -14.404 25.119 688 HE1 TYR 85 1HE TYR 85 7.590 -14.346 26.543 689 HE2 TYR 85 2HE TYR 85 11.337 -16.364 26.245 690 HH TYR 85 HH TYR 85 8.049 -16.840 26.660 691 H THR 86 HN THR 86 13.170 -12.653 22.661 692 HA THR 86 HA THR 86 12.426 -15.135 21.258 693 HB THR 86 HB THR 86 14.947 -13.556 20.712 694 HG1 THR 86 1HG THR 86 12.357 -13.331 19.633 695 HG21 THR 86 3HG2 THR 86 13.554 -15.747 19.171 696 HG22 THR 86 1HG2 THR 86 15.008 -15.943 20.147 697 HG23 THR 86 2HG2 THR 86 15.048 -14.936 18.699 698 H LEU 87 HN LEU 87 13.411 -16.982 21.993 699 HA LEU 87 HA LEU 87 15.200 -16.583 24.290 700 HB2 LEU 87 2HB LEU 87 14.283 -18.776 25.126 701 HB3 LEU 87 1HB LEU 87 13.184 -17.414 25.151 702 HG LEU 87 HG LEU 87 12.503 -18.482 22.776 703 HD11 LEU 87 1HD1 LEU 87 13.357 -20.816 24.479 704 HD12 LEU 87 2HD1 LEU 87 14.060 -20.335 22.934 705 HD13 LEU 87 3HD1 LEU 87 12.396 -20.915 23.003 706 HD21 LEU 87 3HD2 LEU 87 11.492 -19.349 25.480 707 HD22 LEU 87 1HD2 LEU 87 10.628 -19.528 23.954 708 HD23 LEU 87 2HD2 LEU 87 10.981 -17.919 24.584 709 H GLU 88 HN GLU 88 17.183 -17.148 23.963 710 HA GLU 88 HA GLU 88 17.761 -19.754 22.773 711 HB2 GLU 88 2HB GLU 88 19.152 -17.184 21.994 712 HB3 GLU 88 1HB GLU 88 19.759 -18.786 21.618 713 HG2 GLU 88 2HG GLU 88 17.663 -19.198 20.333 714 HG3 GLU 88 1HG GLU 88 17.242 -17.504 20.600 715 H HIS 89 HN HIS 89 20.387 -19.894 22.996 716 HA HIS 89 HA HIS 89 21.928 -20.521 24.511 717 HB2 HIS 89 2HB HIS 89 22.966 -18.607 25.771 718 HB3 HIS 89 1HB HIS 89 22.840 -18.398 24.036 719 HD1 HIS 89 1HD HIS 89 21.299 -16.511 23.167 720 HD2 HIS 89 2HD HIS 89 21.466 -16.810 27.319 721 HE1 HIS 89 1HE HIS 89 20.279 -14.390 24.045 722 HE2 HIS 89 2HE HIS 89 20.486 -14.538 26.552 723 H HIS 90 HN HIS 90 20.628 -21.970 25.586 724 HA HIS 90 HA HIS 90 19.415 -21.115 28.089 725 HB2 HIS 90 2HB HIS 90 18.777 -23.620 28.207 726 HB3 HIS 90 1HB HIS 90 17.977 -22.604 27.011 727 HD1 HIS 90 1HD HIS 90 19.837 -25.714 27.349 728 HD2 HIS 90 2HD HIS 90 19.049 -22.981 24.316 729 HE1 HIS 90 1HE HIS 90 20.386 -26.905 25.201 730 HE2 HIS 90 2HE HIS 90 19.785 -25.273 23.373 731 H HIS 91 HN HIS 91 20.885 -20.732 29.570 732 HA HIS 91 HA HIS 91 23.270 -22.372 29.788 733 HB2 HIS 91 2HB HIS 91 23.129 -19.794 29.971 734 HB3 HIS 91 1HB HIS 91 22.515 -20.082 31.593 735 HD1 HIS 91 1HD HIS 91 25.603 -20.016 29.589 736 HD2 HIS 91 2HD HIS 91 24.433 -21.202 33.398 737 HE1 HIS 91 1HE HIS 91 27.736 -20.297 30.895 738 HE2 HIS 91 2HE HIS 91 26.990 -20.808 33.248 739 H HIS 92 HN HIS 92 23.617 -23.883 31.326 740 HA HIS 92 HA HIS 92 21.551 -24.141 33.415 741 HB2 HIS 92 2HB HIS 92 21.592 -26.010 31.747 742 HB3 HIS 92 1HB HIS 92 23.235 -26.378 32.258 743 HD1 HIS 92 1HD HIS 92 19.700 -26.939 33.133 744 HD2 HIS 92 2HD HIS 92 23.413 -27.385 34.960 745 HE1 HIS 92 1HE HIS 92 19.301 -28.397 35.144 746 HE2 HIS 92 2HE HIS 92 21.517 -28.480 36.341 747 H HIS 93 HN HIS 93 22.494 -23.038 35.060 748 HA HIS 93 HA HIS 93 24.773 -24.387 36.280 749 HB2 HIS 93 2HB HIS 93 25.560 -22.303 34.984 750 HB3 HIS 93 1HB HIS 93 24.713 -21.373 36.216 751 HD1 HIS 93 1HD HIS 93 26.114 -20.726 38.163 752 HD2 HIS 93 2HD HIS 93 27.574 -24.112 36.239 753 HE1 HIS 93 1HE HIS 93 28.259 -21.304 39.339 754 HE2 HIS 93 2HE HIS 93 29.244 -23.192 37.982 755 H HIS 94 HN HIS 94 23.181 -25.233 37.625 756 HA HIS 94 HA HIS 94 22.563 -23.599 39.907 757 HB2 HIS 94 2HB HIS 94 20.701 -23.139 38.205 758 HB3 HIS 94 1HB HIS 94 20.222 -24.815 38.433 759 HD1 HIS 94 1HD HIS 94 19.750 -21.478 39.786 760 HD2 HIS 94 2HD HIS 94 19.411 -25.378 41.204 761 HE1 HIS 94 1HE HIS 94 18.367 -21.325 41.881 762 HE2 HIS 94 2HE HIS 94 18.003 -23.711 42.602 Start of MODEL 5 1 H1 MET 1 H1 MET 1 18.301 1.056 5.897 2 H2 MET 1 H2 MET 1 17.312 0.259 7.021 3 H3 MET 1 H3 MET 1 19.000 0.151 7.151 4 HA MET 1 HA MET 1 18.111 1.664 8.789 5 HB2 MET 1 2HB MET 1 19.676 2.980 6.549 6 HB3 MET 1 1HB MET 1 19.428 3.708 8.129 7 HG2 MET 1 2HG MET 1 21.597 2.716 8.059 8 HG3 MET 1 1HG MET 1 20.585 1.792 9.160 9 HE1 MET 1 2HE MET 1 23.340 0.732 8.097 10 HE2 MET 1 3HE MET 1 22.955 -0.934 7.656 11 HE3 MET 1 1HE MET 1 22.298 -0.239 9.137 12 H VAL 2 HN VAL 2 17.036 3.706 9.211 13 HA VAL 2 HA VAL 2 14.868 4.073 7.267 14 HB VAL 2 HB VAL 2 14.143 3.396 9.498 15 HG11 VAL 2 1HG1 VAL 2 15.369 5.968 10.480 16 HG12 VAL 2 2HG1 VAL 2 15.992 4.350 10.788 17 HG13 VAL 2 3HG1 VAL 2 14.426 4.831 11.442 18 HG21 VAL 2 3HG2 VAL 2 12.637 4.782 8.216 19 HG22 VAL 2 1HG2 VAL 2 13.413 6.240 8.835 20 HG23 VAL 2 2HG2 VAL 2 12.515 5.188 9.931 21 H LYS 3 HN LYS 3 14.475 5.942 6.289 22 HA LYS 3 HA LYS 3 15.723 8.402 7.286 23 HB2 LYS 3 2HB LYS 3 16.042 7.202 4.559 24 HB3 LYS 3 1HB LYS 3 15.990 8.950 4.720 25 HG2 LYS 3 2HG LYS 3 17.899 8.860 6.252 26 HG3 LYS 3 1HG LYS 3 17.956 7.105 6.060 27 HD2 LYS 3 2HD LYS 3 18.519 7.288 3.759 28 HD3 LYS 3 1HD LYS 3 18.155 9.014 3.741 29 HE2 LYS 3 2HE LYS 3 20.368 7.742 5.344 30 HE3 LYS 3 1HE LYS 3 20.585 8.507 3.771 31 HZ1 LYS 3 3HZ LYS 3 19.850 10.593 4.694 32 HZ2 LYS 3 1HZ LYS 3 21.138 9.992 5.619 33 HZ3 LYS 3 2HZ LYS 3 19.547 9.873 6.199 34 H ASP 4 HN ASP 4 13.901 7.587 4.365 35 HA ASP 4 HA ASP 4 12.110 9.803 4.851 36 HB2 ASP 4 2HB ASP 4 12.990 9.332 2.582 37 HB3 ASP 4 1HB ASP 4 12.148 7.787 2.590 38 H LYS 5 HN LYS 5 10.317 9.622 5.978 39 HA LYS 5 HA LYS 5 9.409 7.118 6.957 40 HB2 LYS 5 2HB LYS 5 8.340 9.920 7.156 41 HB3 LYS 5 1HB LYS 5 7.460 8.551 7.825 42 HG2 LYS 5 2HG LYS 5 10.262 9.378 8.565 43 HG3 LYS 5 1HG LYS 5 8.804 9.654 9.523 44 HD2 LYS 5 2HD LYS 5 8.460 7.231 9.682 45 HD3 LYS 5 1HD LYS 5 9.925 6.964 8.739 46 HE2 LYS 5 2HE LYS 5 11.249 8.043 10.488 47 HE3 LYS 5 1HE LYS 5 9.782 8.334 11.424 48 HZ1 LYS 5 3HZ LYS 5 9.446 5.898 11.480 49 HZ2 LYS 5 1HZ LYS 5 10.865 6.388 12.269 50 HZ3 LYS 5 2HZ LYS 5 10.943 5.693 10.728 51 H GLN 6 HN GLN 6 8.436 9.084 4.227 52 HA GLN 6 HA GLN 6 5.866 7.872 3.925 53 HB2 GLN 6 2HB GLN 6 6.433 10.101 2.974 54 HB3 GLN 6 1HB GLN 6 7.507 9.308 1.828 55 HG2 GLN 6 2HG GLN 6 5.372 9.858 0.807 56 HG3 GLN 6 1HG GLN 6 5.621 8.114 0.862 57 HE21 GLN 6 1HE2 GLN 6 3.433 7.657 0.736 58 HE22 GLN 6 2HE2 GLN 6 2.340 7.946 2.047 59 H LYS 7 HN LYS 7 9.079 7.291 2.588 60 HA LYS 7 HA LYS 7 8.448 5.194 0.849 61 HB2 LYS 7 2HB LYS 7 10.918 5.676 2.523 62 HB3 LYS 7 1HB LYS 7 10.795 4.380 1.341 63 HG2 LYS 7 2HG LYS 7 10.405 6.058 -0.422 64 HG3 LYS 7 1HG LYS 7 10.619 7.333 0.780 65 HD2 LYS 7 2HD LYS 7 12.892 6.644 1.182 66 HD3 LYS 7 1HD LYS 7 12.692 5.239 0.132 67 HE2 LYS 7 2HE LYS 7 13.885 6.915 -1.086 68 HE3 LYS 7 1HE LYS 7 12.262 6.792 -1.760 69 HZ1 LYS 7 3HZ LYS 7 13.364 8.935 -0.029 70 HZ2 LYS 7 1HZ LYS 7 11.697 8.744 -0.283 71 HZ3 LYS 7 2HZ LYS 7 12.717 9.070 -1.592 72 H ALA 8 HN ALA 8 8.984 5.221 4.328 73 HA ALA 8 HA ALA 8 8.877 2.425 4.725 74 HB1 ALA 8 1HB ALA 8 8.193 4.646 6.647 75 HB2 ALA 8 2HB ALA 8 9.791 3.945 6.397 76 HB3 ALA 8 3HB ALA 8 8.495 2.963 7.076 77 H ILE 9 HN ILE 9 6.398 4.956 4.824 78 HA ILE 9 HA ILE 9 4.221 3.344 5.563 79 HB ILE 9 HB ILE 9 4.272 5.833 3.841 80 HG12 ILE 9 2HG1 ILE 9 3.637 5.449 6.774 81 HG13 ILE 9 1HG1 ILE 9 5.123 6.137 6.128 82 HG21 ILE 9 1HG2 ILE 9 1.898 4.522 5.169 83 HG22 ILE 9 2HG2 ILE 9 2.219 4.567 3.437 84 HG23 ILE 9 3HG2 ILE 9 1.886 6.065 4.308 85 HD11 ILE 9 3HD1 ILE 9 3.613 7.861 6.942 86 HD12 ILE 9 1HD1 ILE 9 2.366 7.305 5.826 87 HD13 ILE 9 2HD1 ILE 9 3.863 8.000 5.201 88 H PHE 10 HN PHE 10 5.392 4.281 2.342 89 HA PHE 10 HA PHE 10 3.478 2.903 0.836 90 HB2 PHE 10 2HB PHE 10 5.062 4.645 -0.022 91 HB3 PHE 10 1HB PHE 10 6.350 3.448 0.055 92 HD1 PHE 10 1HD PHE 10 6.281 1.466 -1.448 93 HD2 PHE 10 2HD PHE 10 3.513 4.680 -1.802 94 HE1 PHE 10 1HE PHE 10 5.696 0.712 -3.715 95 HE2 PHE 10 2HE PHE 10 2.923 3.925 -4.065 96 HZ PHE 10 HZ PHE 10 4.012 1.940 -5.026 97 H SER 11 HN SER 11 6.779 1.901 1.749 98 HA SER 11 HA SER 11 6.667 -0.582 0.437 99 HB2 SER 11 2HB SER 11 8.656 -1.145 1.876 100 HB3 SER 11 1HB SER 11 8.804 0.347 0.951 101 HG SER 11 HG SER 11 8.605 1.517 2.757 102 H GLU 12 HN GLU 12 6.035 0.289 3.831 103 HA GLU 12 HA GLU 12 5.784 -2.334 4.793 104 HB2 GLU 12 2HB GLU 12 6.001 -0.292 6.206 105 HB3 GLU 12 1HB GLU 12 4.340 0.116 5.811 106 HG2 GLU 12 2HG GLU 12 3.526 -1.856 6.905 107 HG3 GLU 12 1HG GLU 12 5.172 -2.425 7.182 108 H ASN 13 HN ASN 13 3.315 -0.079 3.583 109 HA ASN 13 HA ASN 13 1.131 -1.815 3.969 110 HB2 ASN 13 2HB ASN 13 1.525 0.530 2.110 111 HB3 ASN 13 1HB ASN 13 0.006 -0.349 2.208 112 HD21 ASN 13 1HD2 ASN 13 0.315 2.386 2.788 113 HD22 ASN 13 2HD2 ASN 13 -0.040 2.617 4.461 114 H LEU 14 HN LEU 14 3.165 -1.204 1.123 115 HA LEU 14 HA LEU 14 1.813 -2.968 -0.610 116 HB2 LEU 14 2HB LEU 14 3.385 -1.229 -1.359 117 HB3 LEU 14 1HB LEU 14 4.711 -2.126 -0.646 118 HG LEU 14 HG LEU 14 4.276 -3.986 -2.220 119 HD11 LEU 14 1HD1 LEU 14 2.791 -3.624 -4.125 120 HD12 LEU 14 2HD1 LEU 14 2.274 -2.085 -3.433 121 HD13 LEU 14 3HD1 LEU 14 1.900 -3.596 -2.599 122 HD21 LEU 14 3HD2 LEU 14 4.703 -1.306 -3.535 123 HD22 LEU 14 1HD2 LEU 14 5.153 -2.875 -4.204 124 HD23 LEU 14 2HD2 LEU 14 5.944 -2.278 -2.744 125 H ASN 15 HN ASN 15 4.679 -3.429 1.433 126 HA ASN 15 HA ASN 15 5.321 -6.046 0.721 127 HB2 ASN 15 2HB ASN 15 6.698 -4.501 2.139 128 HB3 ASN 15 1HB ASN 15 5.595 -4.811 3.471 129 HD21 ASN 15 1HD2 ASN 15 8.134 -6.077 1.499 130 HD22 ASN 15 2HD2 ASN 15 8.476 -7.465 2.467 131 H SER 16 HN SER 16 3.062 -4.822 3.135 132 HA SER 16 HA SER 16 2.351 -7.246 4.340 133 HB2 SER 16 2HB SER 16 1.754 -4.979 5.200 134 HB3 SER 16 1HB SER 16 0.581 -4.823 3.895 135 HG SER 16 HG SER 16 0.449 -6.271 6.238 136 H TYR 17 HN TYR 17 0.899 -5.549 1.560 137 HA TYR 17 HA TYR 17 -1.130 -7.454 1.091 138 HB2 TYR 17 2HB TYR 17 0.191 -5.550 -0.858 139 HB3 TYR 17 1HB TYR 17 -1.278 -6.461 -1.180 140 HD1 TYR 17 1HD TYR 17 -2.964 -6.144 1.079 141 HD2 TYR 17 2HD TYR 17 -0.259 -3.317 -0.592 142 HE1 TYR 17 1HE TYR 17 -4.312 -4.307 2.013 143 HE2 TYR 17 2HE TYR 17 -1.594 -1.477 0.340 144 HH TYR 17 HH TYR 17 -3.842 -1.030 1.109 145 H ILE 18 HN ILE 18 2.121 -7.076 -0.295 146 HA ILE 18 HA ILE 18 2.028 -9.083 -2.214 147 HB ILE 18 HB ILE 18 4.404 -8.262 -0.527 148 HG12 ILE 18 2HG1 ILE 18 3.597 -7.330 -3.290 149 HG13 ILE 18 1HG1 ILE 18 3.254 -6.432 -1.815 150 HG21 ILE 18 1HG2 ILE 18 5.770 -9.132 -2.374 151 HG22 ILE 18 2HG2 ILE 18 4.306 -9.695 -3.185 152 HG23 ILE 18 3HG2 ILE 18 4.787 -10.402 -1.641 153 HD11 ILE 18 3HD1 ILE 18 5.200 -5.529 -2.912 154 HD12 ILE 18 1HD1 ILE 18 5.969 -7.116 -2.912 155 HD13 ILE 18 2HD1 ILE 18 5.672 -6.283 -1.387 156 H ALA 19 HN ALA 19 3.114 -9.338 1.168 157 HA ALA 19 HA ALA 19 3.687 -12.106 1.046 158 HB1 ALA 19 1HB ALA 19 4.656 -10.586 2.723 159 HB2 ALA 19 2HB ALA 19 3.894 -11.999 3.457 160 HB3 ALA 19 3HB ALA 19 3.069 -10.438 3.484 161 H LYS 20 HN LYS 20 0.817 -10.294 2.039 162 HA LYS 20 HA LYS 20 -0.518 -12.608 3.059 163 HB2 LYS 20 2HB LYS 20 -1.153 -9.736 2.740 164 HB3 LYS 20 1HB LYS 20 -2.510 -10.840 2.845 165 HG2 LYS 20 2HG LYS 20 -0.291 -10.625 4.871 166 HG3 LYS 20 1HG LYS 20 -1.880 -9.880 5.022 167 HD2 LYS 20 2HD LYS 20 -2.138 -11.810 6.265 168 HD3 LYS 20 1HD LYS 20 -2.767 -12.305 4.696 169 HE2 LYS 20 2HE LYS 20 -0.537 -13.285 4.177 170 HE3 LYS 20 1HE LYS 20 -0.022 -12.880 5.813 171 HZ1 LYS 20 3HZ LYS 20 -0.701 -15.157 5.756 172 HZ2 LYS 20 1HZ LYS 20 -2.191 -14.762 5.047 173 HZ3 LYS 20 2HZ LYS 20 -1.855 -14.290 6.641 174 H SER 21 HN SER 21 -0.253 -11.187 -0.077 175 HA SER 21 HA SER 21 -2.627 -12.456 -1.091 176 HB2 SER 21 2HB SER 21 -0.315 -11.144 -2.536 177 HB3 SER 21 1HB SER 21 -1.842 -11.626 -3.264 178 HG SER 21 HG SER 21 -1.353 -9.595 -1.363 179 H GLU 22 HN GLU 22 0.514 -13.408 -0.350 180 HA GLU 22 HA GLU 22 1.797 -15.229 -0.758 181 HB2 GLU 22 2HB GLU 22 -0.323 -16.313 0.044 182 HB3 GLU 22 1HB GLU 22 -0.791 -16.519 -1.637 183 HG2 GLU 22 2HG GLU 22 1.034 -18.002 -2.037 184 HG3 GLU 22 1HG GLU 22 1.718 -17.667 -0.446 185 H LYS 23 HN LYS 23 1.952 -13.388 -2.669 186 HA LYS 23 HA LYS 23 2.174 -14.976 -5.138 187 HB2 LYS 23 2HB LYS 23 0.578 -12.701 -4.755 188 HB3 LYS 23 1HB LYS 23 1.987 -12.125 -5.628 189 HG2 LYS 23 2HG LYS 23 0.187 -12.742 -7.150 190 HG3 LYS 23 1HG LYS 23 1.596 -13.781 -7.378 191 HD2 LYS 23 2HD LYS 23 0.565 -15.583 -6.236 192 HD3 LYS 23 1HD LYS 23 -0.728 -14.549 -5.629 193 HE2 LYS 23 2HE LYS 23 -1.514 -15.970 -7.447 194 HE3 LYS 23 1HE LYS 23 -1.582 -14.266 -7.891 195 HZ1 LYS 23 3HZ LYS 23 -0.712 -15.775 -9.644 196 HZ2 LYS 23 1HZ LYS 23 0.638 -16.076 -8.665 197 HZ3 LYS 23 2HZ LYS 23 0.337 -14.504 -9.245 198 H THR 24 HN THR 24 4.096 -14.796 -6.210 199 HA THR 24 HA THR 24 6.319 -13.882 -4.677 200 HB THR 24 HB THR 24 7.654 -14.521 -6.711 201 HG1 THR 24 1HG THR 24 5.212 -15.572 -7.720 202 HG21 THR 24 3HG2 THR 24 7.260 -16.919 -6.474 203 HG22 THR 24 1HG2 THR 24 5.705 -16.601 -5.710 204 HG23 THR 24 2HG2 THR 24 7.196 -16.121 -4.904 205 H GLN 25 HN GLN 25 7.806 -12.252 -5.167 206 HA GLN 25 HA GLN 25 6.838 -9.791 -5.999 207 HB2 GLN 25 2HB GLN 25 9.683 -10.816 -6.004 208 HB3 GLN 25 1HB GLN 25 9.252 -9.140 -6.287 209 HG2 GLN 25 2HG GLN 25 9.887 -9.238 -4.039 210 HG3 GLN 25 1HG GLN 25 8.128 -9.186 -4.015 211 HE21 GLN 25 1HE2 GLN 25 10.045 -12.022 -4.802 212 HE22 GLN 25 2HE2 GLN 25 9.570 -12.947 -3.418 213 H LEU 26 HN LEU 26 8.429 -12.319 -7.832 214 HA LEU 26 HA LEU 26 8.829 -10.905 -10.227 215 HB2 LEU 26 2HB LEU 26 9.414 -13.425 -9.269 216 HB3 LEU 26 1HB LEU 26 8.250 -13.758 -10.538 217 HG LEU 26 HG LEU 26 10.814 -12.201 -10.899 218 HD11 LEU 26 1HD1 LEU 26 11.612 -14.156 -12.096 219 HD12 LEU 26 2HD1 LEU 26 10.107 -15.003 -11.747 220 HD13 LEU 26 3HD1 LEU 26 11.201 -14.573 -10.431 221 HD21 LEU 26 3HD2 LEU 26 10.336 -12.369 -13.278 222 HD22 LEU 26 1HD2 LEU 26 9.036 -11.519 -12.442 223 HD23 LEU 26 2HD2 LEU 26 8.821 -13.200 -12.928 224 H GLU 27 HN GLU 27 6.161 -13.007 -9.153 225 HA GLU 27 HA GLU 27 4.672 -13.001 -11.501 226 HB2 GLU 27 2HB GLU 27 4.478 -14.178 -9.075 227 HB3 GLU 27 1HB GLU 27 3.191 -12.987 -8.946 228 HG2 GLU 27 2HG GLU 27 3.461 -14.988 -11.166 229 HG3 GLU 27 1HG GLU 27 2.458 -15.192 -9.738 230 H ILE 28 HN ILE 28 4.494 -10.835 -8.685 231 HA ILE 28 HA ILE 28 2.375 -9.249 -9.688 232 HB ILE 28 HB ILE 28 4.509 -8.366 -7.735 233 HG12 ILE 28 2HG1 ILE 28 1.869 -9.741 -7.180 234 HG13 ILE 28 1HG1 ILE 28 3.448 -10.512 -7.067 235 HG21 ILE 28 1HG2 ILE 28 2.726 -6.884 -6.896 236 HG22 ILE 28 2HG2 ILE 28 1.668 -7.446 -8.191 237 HG23 ILE 28 3HG2 ILE 28 3.136 -6.546 -8.578 238 HD11 ILE 28 3HD1 ILE 28 4.061 -8.974 -5.272 239 HD12 ILE 28 1HD1 ILE 28 2.608 -9.889 -4.879 240 HD13 ILE 28 2HD1 ILE 28 2.479 -8.207 -5.391 241 H ALA 29 HN ALA 29 5.891 -9.003 -9.899 242 HA ALA 29 HA ALA 29 6.079 -6.500 -11.136 243 HB1 ALA 29 1HB ALA 29 8.005 -7.702 -10.214 244 HB2 ALA 29 2HB ALA 29 8.286 -7.203 -11.881 245 HB3 ALA 29 3HB ALA 29 7.889 -8.884 -11.518 246 H LYS 30 HN LYS 30 5.561 -9.719 -12.504 247 HA LYS 30 HA LYS 30 5.721 -9.068 -15.227 248 HB2 LYS 30 2HB LYS 30 3.966 -11.111 -13.861 249 HB3 LYS 30 1HB LYS 30 4.300 -11.062 -15.586 250 HG2 LYS 30 2HG LYS 30 6.602 -11.584 -15.224 251 HG3 LYS 30 1HG LYS 30 6.414 -11.414 -13.475 252 HD2 LYS 30 2HD LYS 30 6.426 -13.759 -14.062 253 HD3 LYS 30 1HD LYS 30 4.819 -13.302 -13.494 254 HE2 LYS 30 2HE LYS 30 4.560 -14.698 -15.419 255 HE3 LYS 30 1HE LYS 30 4.131 -13.050 -15.880 256 HZ1 LYS 30 3HZ LYS 30 6.797 -14.263 -16.361 257 HZ2 LYS 30 1HZ LYS 30 6.231 -12.778 -16.952 258 HZ3 LYS 30 2HZ LYS 30 5.557 -14.232 -17.515 259 H SER 31 HN SER 31 3.050 -8.896 -12.946 260 HA SER 31 HA SER 31 1.041 -8.270 -14.855 261 HB2 SER 31 2HB SER 31 1.059 -7.762 -11.868 262 HB3 SER 31 1HB SER 31 -0.363 -7.846 -12.912 263 HG SER 31 HG SER 31 1.328 -9.911 -12.020 264 H ILE 32 HN ILE 32 3.409 -6.412 -13.161 265 HA ILE 32 HA ILE 32 2.132 -3.865 -13.738 266 HB ILE 32 HB ILE 32 4.899 -4.428 -12.650 267 HG12 ILE 32 2HG1 ILE 32 2.396 -3.636 -11.144 268 HG13 ILE 32 1HG1 ILE 32 3.040 -5.275 -11.211 269 HG21 ILE 32 1HG2 ILE 32 4.855 -2.102 -11.916 270 HG22 ILE 32 2HG2 ILE 32 3.274 -1.889 -12.671 271 HG23 ILE 32 3HG2 ILE 32 4.691 -2.224 -13.668 272 HD11 ILE 32 3HD1 ILE 32 4.447 -2.874 -10.065 273 HD12 ILE 32 1HD1 ILE 32 5.091 -4.517 -10.134 274 HD13 ILE 32 2HD1 ILE 32 3.671 -4.166 -9.150 275 H GLY 33 HN GLY 33 4.928 -5.751 -14.783 276 HA2 GLY 33 2HA GLY 33 5.613 -5.732 -17.103 277 HA3 GLY 33 1HA GLY 33 5.116 -4.045 -17.182 278 H VAL 34 HN VAL 34 6.766 -5.125 -14.371 279 HA VAL 34 HA VAL 34 9.129 -3.594 -15.213 280 HB VAL 34 HB VAL 34 9.533 -3.123 -12.837 281 HG11 VAL 34 1HG1 VAL 34 7.669 -1.575 -12.478 282 HG12 VAL 34 2HG1 VAL 34 6.760 -2.374 -13.758 283 HG13 VAL 34 3HG1 VAL 34 8.256 -1.520 -14.137 284 HG21 VAL 34 3HG2 VAL 34 8.508 -5.096 -11.854 285 HG22 VAL 34 1HG2 VAL 34 6.914 -4.545 -12.367 286 HG23 VAL 34 2HG2 VAL 34 7.817 -3.632 -11.159 287 H SER 35 HN SER 35 11.112 -4.235 -13.850 288 HA SER 35 HA SER 35 11.412 -7.124 -14.083 289 HB2 SER 35 2HB SER 35 13.493 -4.993 -13.532 290 HB3 SER 35 1HB SER 35 13.803 -6.679 -13.960 291 HG SER 35 HG SER 35 12.807 -6.294 -15.972 292 HA PRO 36 HA PRO 36 11.012 -8.064 -9.801 293 HB2 PRO 36 2HB PRO 36 13.160 -9.847 -9.599 294 HB3 PRO 36 1HB PRO 36 11.500 -10.255 -10.041 295 HG2 PRO 36 2HG PRO 36 13.868 -9.794 -11.787 296 HG3 PRO 36 1HG PRO 36 12.524 -10.936 -11.985 297 HD2 PRO 36 2HD PRO 36 12.669 -8.689 -13.435 298 HD3 PRO 36 1HD PRO 36 11.112 -9.313 -12.859 299 H GLN 37 HN GLN 37 14.240 -7.245 -11.016 300 HA GLN 37 HA GLN 37 15.493 -6.749 -8.554 301 HB2 GLN 37 2HB GLN 37 16.573 -6.854 -10.843 302 HB3 GLN 37 1HB GLN 37 15.988 -5.220 -11.109 303 HG2 GLN 37 2HG GLN 37 17.248 -4.505 -9.089 304 HG3 GLN 37 1HG GLN 37 17.936 -6.126 -9.006 305 HE21 GLN 37 1HE2 GLN 37 19.317 -3.639 -9.326 306 HE22 GLN 37 2HE2 GLN 37 20.159 -3.716 -10.836 307 H THR 38 HN THR 38 13.492 -4.717 -10.613 308 HA THR 38 HA THR 38 13.885 -2.314 -9.104 309 HB THR 38 HB THR 38 11.578 -2.895 -10.971 310 HG1 THR 38 1HG THR 38 14.264 -2.143 -11.574 311 HG21 THR 38 3HG2 THR 38 11.481 -0.804 -9.668 312 HG22 THR 38 1HG2 THR 38 11.670 -0.497 -11.396 313 HG23 THR 38 2HG2 THR 38 13.055 -0.342 -10.315 314 H PHE 39 HN PHE 39 11.471 -4.857 -9.267 315 HA PHE 39 HA PHE 39 9.592 -3.726 -7.496 316 HB2 PHE 39 2HB PHE 39 9.298 -5.697 -9.097 317 HB3 PHE 39 1HB PHE 39 10.101 -6.680 -7.877 318 HD1 PHE 39 2HD PHE 39 9.021 -7.148 -5.743 319 HD2 PHE 39 1HD PHE 39 7.046 -4.914 -8.776 320 HE1 PHE 39 2HE PHE 39 6.875 -7.489 -4.591 321 HE2 PHE 39 1HE PHE 39 4.897 -5.247 -7.629 322 HZ PHE 39 HZ PHE 39 4.811 -6.539 -5.534 323 H ASN 40 HN ASN 40 12.479 -5.658 -7.039 324 HA ASN 40 HA ASN 40 12.113 -6.344 -4.336 325 HB2 ASN 40 2HB ASN 40 13.798 -7.358 -5.897 326 HB3 ASN 40 1HB ASN 40 14.751 -5.885 -5.740 327 HD21 ASN 40 1HD2 ASN 40 16.495 -6.832 -4.805 328 HD22 ASN 40 2HD2 ASN 40 16.470 -7.519 -3.216 329 H THR 41 HN THR 41 13.661 -3.523 -5.857 330 HA THR 41 HA THR 41 14.571 -2.414 -3.417 331 HB THR 41 HB THR 41 14.658 -0.230 -4.767 332 HG1 THR 41 1HG THR 41 13.151 -1.530 -6.423 333 HG21 THR 41 3HG2 THR 41 16.639 -0.985 -5.996 334 HG22 THR 41 1HG2 THR 41 16.156 -2.664 -5.744 335 HG23 THR 41 2HG2 THR 41 16.600 -1.656 -4.365 336 H TRP 42 HN TRP 42 11.478 -2.406 -4.954 337 HA TRP 42 HA TRP 42 10.382 -0.250 -3.415 338 HB2 TRP 42 2HB TRP 42 9.009 -2.522 -4.869 339 HB3 TRP 42 1HB TRP 42 8.192 -1.130 -4.174 340 HD1 TRP 42 1HD TRP 42 10.714 0.819 -5.379 341 HE1 TRP 42 1HE TRP 42 10.456 1.534 -7.839 342 HE3 TRP 42 3HE TRP 42 7.347 -2.717 -6.905 343 HZ2 TRP 42 2HZ TRP 42 9.001 0.710 -10.125 344 HZ3 TRP 42 3HZ TRP 42 6.573 -2.681 -9.240 345 HH2 TRP 42 2HH TRP 42 7.384 -1.005 -10.813 346 H CYS 43 HN CYS 43 10.495 -3.750 -3.171 347 HA CYS 43 HA CYS 43 8.866 -4.028 -0.876 348 HB2 CYS 43 2HB CYS 43 9.469 -5.843 -2.498 349 HB3 CYS 43 1HB CYS 43 11.091 -5.848 -1.815 350 HG CYS 43 HG CYS 43 9.950 -8.047 -0.717 351 H LYS 44 HN LYS 44 12.250 -3.289 -1.330 352 HA LYS 44 HA LYS 44 12.929 -3.639 1.442 353 HB2 LYS 44 2HB LYS 44 14.400 -2.504 -0.933 354 HB3 LYS 44 1HB LYS 44 15.082 -2.556 0.677 355 HG2 LYS 44 2HG LYS 44 14.206 -4.934 -0.938 356 HG3 LYS 44 1HG LYS 44 15.871 -4.409 -0.680 357 HD2 LYS 44 2HD LYS 44 15.476 -4.696 1.781 358 HD3 LYS 44 1HD LYS 44 13.927 -5.437 1.378 359 HE2 LYS 44 2HE LYS 44 15.563 -7.169 1.735 360 HE3 LYS 44 1HE LYS 44 15.135 -7.123 0.025 361 HZ1 LYS 44 3HZ LYS 44 17.545 -7.350 0.451 362 HZ2 LYS 44 1HZ LYS 44 17.543 -5.820 1.178 363 HZ3 LYS 44 2HZ LYS 44 17.162 -5.981 -0.470 364 H GLY 45 HN GLY 45 11.243 -1.324 -0.229 365 HA2 GLY 45 2HA GLY 45 10.522 0.782 0.357 366 HA3 GLY 45 1HA GLY 45 11.302 0.538 1.912 367 H ILE 46 HN ILE 46 13.158 0.265 -1.006 368 HA ILE 46 HA ILE 46 14.880 2.413 -0.118 369 HB ILE 46 HB ILE 46 15.053 0.680 -2.595 370 HG12 ILE 46 2HG1 ILE 46 16.536 0.503 0.033 371 HG13 ILE 46 1HG1 ILE 46 15.234 -0.569 -0.464 372 HG21 ILE 46 1HG2 ILE 46 16.240 2.827 -2.815 373 HG22 ILE 46 2HG2 ILE 46 17.345 1.453 -2.777 374 HG23 ILE 46 3HG2 ILE 46 17.140 2.460 -1.343 375 HD11 ILE 46 3HD1 ILE 46 17.392 -1.620 -0.778 376 HD12 ILE 46 1HD1 ILE 46 17.906 -0.290 -1.817 377 HD13 ILE 46 2HD1 ILE 46 16.600 -1.355 -2.333 378 H ALA 47 HN ALA 47 12.741 1.735 -2.852 379 HA ALA 47 HA ALA 47 12.769 4.599 -3.497 380 HB1 ALA 47 1HB ALA 47 14.281 3.459 -5.052 381 HB2 ALA 47 2HB ALA 47 12.863 4.107 -5.879 382 HB3 ALA 47 3HB ALA 47 12.970 2.380 -5.532 383 H ILE 48 HN ILE 48 10.889 5.379 -4.524 384 HA ILE 48 HA ILE 48 8.556 3.598 -4.285 385 HB ILE 48 HB ILE 48 8.704 6.608 -4.077 386 HG12 ILE 48 2HG1 ILE 48 7.827 4.540 -2.057 387 HG13 ILE 48 1HG1 ILE 48 9.410 5.306 -2.078 388 HG21 ILE 48 1HG2 ILE 48 6.267 4.833 -3.979 389 HG22 ILE 48 2HG2 ILE 48 6.687 5.937 -5.289 390 HG23 ILE 48 3HG2 ILE 48 6.293 6.574 -3.692 391 HD11 ILE 48 3HD1 ILE 48 6.772 6.707 -1.699 392 HD12 ILE 48 1HD1 ILE 48 8.350 7.490 -1.748 393 HD13 ILE 48 2HD1 ILE 48 7.962 6.367 -0.441 394 HA PRO 49 HA PRO 49 8.354 3.963 -8.728 395 HB2 PRO 49 2HB PRO 49 5.978 2.694 -9.026 396 HB3 PRO 49 1HB PRO 49 7.484 1.834 -8.705 397 HG2 PRO 49 2HG PRO 49 5.322 2.631 -6.787 398 HG3 PRO 49 1HG PRO 49 6.176 1.081 -6.927 399 HD2 PRO 49 2HD PRO 49 6.848 2.922 -5.059 400 HD3 PRO 49 1HD PRO 49 8.058 1.874 -5.837 401 H ARG 50 HN ARG 50 7.182 5.195 -10.218 402 HA ARG 50 HA ARG 50 5.748 7.397 -9.079 403 HB2 ARG 50 2HB ARG 50 7.292 7.134 -11.272 404 HB3 ARG 50 1HB ARG 50 5.708 6.969 -12.014 405 HG2 ARG 50 2HG ARG 50 5.070 9.123 -11.435 406 HG3 ARG 50 1HG ARG 50 6.303 9.259 -10.181 407 HD2 ARG 50 2HD ARG 50 6.747 9.216 -13.164 408 HD3 ARG 50 1HD ARG 50 6.937 10.599 -12.086 409 HE ARG 50 HE ARG 50 8.578 8.259 -11.530 410 HH11 ARG 50 1HH1 ARG 50 8.369 11.499 -12.853 411 HH12 ARG 50 2HH1 ARG 50 10.098 11.703 -12.928 412 HH21 ARG 50 1HH2 ARG 50 10.840 8.543 -11.607 413 HH22 ARG 50 2HH2 ARG 50 11.498 10.048 -12.182 414 H MET 51 HN MET 51 3.602 8.083 -10.163 415 HA MET 51 HA MET 51 1.674 6.346 -9.204 416 HB2 MET 51 2HB MET 51 0.012 7.816 -10.171 417 HB3 MET 51 1HB MET 51 1.328 8.756 -9.481 418 HG2 MET 51 2HG MET 51 2.262 9.062 -11.734 419 HG3 MET 51 1HG MET 51 0.906 8.158 -12.405 420 HE1 MET 51 3HE MET 51 0.778 10.734 -9.408 421 HE2 MET 51 1HE MET 51 0.459 12.231 -10.279 422 HE3 MET 51 2HE MET 51 2.003 11.395 -10.488 423 H GLY 52 HN GLY 52 3.068 6.414 -12.387 424 HA2 GLY 52 2HA GLY 52 1.038 5.081 -13.816 425 HA3 GLY 52 1HA GLY 52 2.745 5.085 -14.228 426 H LYS 53 HN LYS 53 3.771 3.849 -11.933 427 HA LYS 53 HA LYS 53 2.981 1.108 -12.492 428 HB2 LYS 53 2HB LYS 53 5.353 2.423 -11.296 429 HB3 LYS 53 1HB LYS 53 4.976 0.802 -10.722 430 HG2 LYS 53 2HG LYS 53 6.583 0.811 -12.591 431 HG3 LYS 53 1HG LYS 53 5.108 -0.081 -12.956 432 HD2 LYS 53 2HD LYS 53 4.276 2.050 -14.065 433 HD3 LYS 53 1HD LYS 53 5.929 2.645 -13.932 434 HE2 LYS 53 2HE LYS 53 5.160 0.076 -15.303 435 HE3 LYS 53 1HE LYS 53 5.363 1.614 -16.136 436 HZ1 LYS 53 3HZ LYS 53 7.328 0.138 -16.226 437 HZ2 LYS 53 1HZ LYS 53 7.502 0.302 -14.549 438 HZ3 LYS 53 2HZ LYS 53 7.658 1.659 -15.552 439 H VAL 54 HN VAL 54 2.531 3.476 -10.025 440 HA VAL 54 HA VAL 54 1.883 1.762 -7.873 441 HB VAL 54 HB VAL 54 0.835 4.535 -8.483 442 HG11 VAL 54 1HG1 VAL 54 0.291 4.619 -6.068 443 HG12 VAL 54 2HG1 VAL 54 0.689 2.903 -5.949 444 HG13 VAL 54 3HG1 VAL 54 -0.665 3.430 -6.952 445 HG21 VAL 54 3HG2 VAL 54 2.500 5.278 -6.851 446 HG22 VAL 54 1HG2 VAL 54 3.253 4.462 -8.218 447 HG23 VAL 54 2HG2 VAL 54 3.072 3.621 -6.681 448 H GLN 55 HN GLN 55 -0.070 3.178 -10.469 449 HA GLN 55 HA GLN 55 -2.557 2.163 -9.663 450 HB2 GLN 55 2HB GLN 55 -2.373 3.890 -11.352 451 HB3 GLN 55 1HB GLN 55 -1.499 2.803 -12.419 452 HG2 GLN 55 2HG GLN 55 -3.811 3.100 -13.115 453 HG3 GLN 55 1HG GLN 55 -3.467 1.426 -12.688 454 HE21 GLN 55 1HE2 GLN 55 -5.669 1.019 -12.381 455 HE22 GLN 55 2HE2 GLN 55 -6.507 1.579 -10.976 456 H ALA 56 HN ALA 56 0.047 0.717 -11.542 457 HA ALA 56 HA ALA 56 -1.353 -1.572 -12.406 458 HB1 ALA 56 1HB ALA 56 1.603 -1.259 -11.902 459 HB2 ALA 56 2HB ALA 56 0.765 -0.860 -13.402 460 HB3 ALA 56 3HB ALA 56 0.840 -2.535 -12.851 461 H LEU 57 HN LEU 57 0.451 -0.847 -9.471 462 HA LEU 57 HA LEU 57 0.282 -3.418 -8.297 463 HB2 LEU 57 2HB LEU 57 0.588 -0.655 -7.133 464 HB3 LEU 57 1HB LEU 57 0.593 -2.103 -6.148 465 HG LEU 57 HG LEU 57 2.558 -1.666 -8.389 466 HD11 LEU 57 1HD1 LEU 57 4.160 -0.964 -6.685 467 HD12 LEU 57 2HD1 LEU 57 2.897 -1.037 -5.458 468 HD13 LEU 57 3HD1 LEU 57 2.794 0.147 -6.759 469 HD21 LEU 57 3HD2 LEU 57 2.220 -3.975 -7.631 470 HD22 LEU 57 1HD2 LEU 57 2.580 -3.479 -5.978 471 HD23 LEU 57 2HD2 LEU 57 3.829 -3.380 -7.220 472 H ALA 58 HN ALA 58 -1.669 -0.470 -7.900 473 HA ALA 58 HA ALA 58 -3.469 -1.501 -6.021 474 HB1 ALA 58 1HB ALA 58 -4.867 0.395 -6.545 475 HB2 ALA 58 2HB ALA 58 -3.998 0.654 -8.059 476 HB3 ALA 58 3HB ALA 58 -3.175 0.894 -6.516 477 H ASP 59 HN ASP 59 -3.577 -1.482 -9.550 478 HA ASP 59 HA ASP 59 -6.238 -2.424 -9.777 479 HB2 ASP 59 2HB ASP 59 -4.878 -1.253 -11.570 480 HB3 ASP 59 1HB ASP 59 -4.040 -2.779 -11.820 481 H TYR 60 HN TYR 60 -3.126 -4.014 -9.527 482 HA TYR 60 HA TYR 60 -4.061 -6.620 -10.184 483 HB2 TYR 60 2HB TYR 60 -1.679 -5.978 -10.316 484 HB3 TYR 60 1HB TYR 60 -1.633 -5.818 -8.567 485 HD1 TYR 60 1HD TYR 60 -2.401 -8.320 -11.226 486 HD2 TYR 60 2HD TYR 60 -0.989 -7.636 -7.271 487 HE1 TYR 60 1HE TYR 60 -1.836 -10.704 -11.022 488 HE2 TYR 60 2HE TYR 60 -0.417 -10.018 -7.058 489 HH TYR 60 HH TYR 60 -0.267 -12.130 -9.677 490 H PHE 61 HN PHE 61 -3.645 -4.841 -7.174 491 HA PHE 61 HA PHE 61 -4.362 -7.172 -5.595 492 HB2 PHE 61 2HB PHE 61 -3.574 -4.355 -4.849 493 HB3 PHE 61 1HB PHE 61 -4.087 -5.549 -3.666 494 HD1 PHE 61 1HD PHE 61 -2.787 -7.856 -3.835 495 HD2 PHE 61 2HD PHE 61 -1.330 -4.111 -5.231 496 HE1 PHE 61 1HE PHE 61 -0.482 -8.695 -3.671 497 HE2 PHE 61 2HE PHE 61 0.978 -4.945 -5.070 498 HZ PHE 61 HZ PHE 61 1.405 -7.240 -4.289 499 H ASN 62 HN ASN 62 -5.993 -4.853 -7.256 500 HA ASN 62 HA ASN 62 -8.155 -4.220 -7.400 501 HB2 ASN 62 2HB ASN 62 -8.518 -6.681 -6.851 502 HB3 ASN 62 1HB ASN 62 -8.786 -6.177 -5.188 503 HD21 ASN 62 1HD2 ASN 62 -10.021 -6.122 -8.438 504 HD22 ASN 62 2HD2 ASN 62 -11.635 -5.623 -8.028 505 H ILE 63 HN ILE 63 -6.182 -3.312 -5.237 506 HA ILE 63 HA ILE 63 -7.981 -2.156 -3.260 507 HB ILE 63 HB ILE 63 -5.925 -1.291 -2.190 508 HG12 ILE 63 2HG1 ILE 63 -4.466 -2.807 -4.368 509 HG13 ILE 63 1HG1 ILE 63 -4.590 -1.057 -4.278 510 HG21 ILE 63 1HG2 ILE 63 -5.833 -4.238 -2.820 511 HG22 ILE 63 2HG2 ILE 63 -6.803 -3.478 -1.558 512 HG23 ILE 63 3HG2 ILE 63 -5.043 -3.447 -1.457 513 HD11 ILE 63 3HD1 ILE 63 -2.437 -1.883 -3.466 514 HD12 ILE 63 1HD1 ILE 63 -3.270 -2.813 -2.223 515 HD13 ILE 63 2HD1 ILE 63 -3.341 -1.052 -2.200 516 H ASN 64 HN ASN 64 -6.941 0.244 -2.704 517 HA ASN 64 HA ASN 64 -7.419 1.726 -5.182 518 HB2 ASN 64 2HB ASN 64 -7.619 2.580 -2.287 519 HB3 ASN 64 1HB ASN 64 -7.839 3.665 -3.657 520 HD21 ASN 64 1HD2 ASN 64 -9.684 2.847 -1.533 521 HD22 ASN 64 2HD2 ASN 64 -11.074 2.209 -2.344 522 H LYS 65 HN LYS 65 -6.148 3.548 -5.682 523 HA LYS 65 HA LYS 65 -3.379 3.122 -5.518 524 HB2 LYS 65 2HB LYS 65 -3.201 5.321 -6.620 525 HB3 LYS 65 1HB LYS 65 -4.433 4.315 -7.373 526 HG2 LYS 65 2HG LYS 65 -6.099 5.539 -5.885 527 HG3 LYS 65 1HG LYS 65 -4.799 6.692 -5.589 528 HD2 LYS 65 2HD LYS 65 -4.623 7.102 -7.998 529 HD3 LYS 65 1HD LYS 65 -5.940 5.959 -8.284 530 HE2 LYS 65 2HE LYS 65 -7.328 7.413 -6.726 531 HE3 LYS 65 1HE LYS 65 -6.042 8.609 -6.869 532 HZ1 LYS 65 3HZ LYS 65 -7.665 7.511 -9.106 533 HZ2 LYS 65 1HZ LYS 65 -6.396 8.628 -9.277 534 HZ3 LYS 65 2HZ LYS 65 -7.802 9.058 -8.429 535 H SER 66 HN SER 66 -5.580 4.959 -3.558 536 HA SER 66 HA SER 66 -3.753 6.748 -2.388 537 HB2 SER 66 2HB SER 66 -5.718 6.629 -0.560 538 HB3 SER 66 1HB SER 66 -5.887 7.491 -2.090 539 HG SER 66 HG SER 66 -7.119 5.187 -1.216 540 H ASP 67 HN ASP 67 -4.657 3.454 -1.605 541 HA ASP 67 HA ASP 67 -4.000 3.319 1.087 542 HB2 ASP 67 2HB ASP 67 -3.883 1.259 -1.109 543 HB3 ASP 67 1HB ASP 67 -3.465 0.855 0.552 544 H LEU 68 HN LEU 68 -1.878 3.237 -1.702 545 HA LEU 68 HA LEU 68 0.408 2.561 -0.019 546 HB2 LEU 68 2HB LEU 68 0.217 2.978 -3.000 547 HB3 LEU 68 1HB LEU 68 1.644 2.437 -2.141 548 HG LEU 68 HG LEU 68 -0.966 0.923 -2.312 549 HD11 LEU 68 1HD1 LEU 68 1.685 0.423 -3.657 550 HD12 LEU 68 2HD1 LEU 68 0.203 0.959 -4.448 551 HD13 LEU 68 3HD1 LEU 68 0.282 -0.643 -3.716 552 HD21 LEU 68 3HD2 LEU 68 1.685 0.163 -1.089 553 HD22 LEU 68 1HD2 LEU 68 0.301 -0.911 -1.283 554 HD23 LEU 68 2HD2 LEU 68 0.188 0.491 -0.218 555 H ILE 69 HN ILE 69 -1.004 5.292 -1.647 556 HA ILE 69 HA ILE 69 1.484 6.811 -1.592 557 HB ILE 69 HB ILE 69 -1.208 7.539 -2.752 558 HG12 ILE 69 2HG1 ILE 69 -0.169 5.614 -3.890 559 HG13 ILE 69 1HG1 ILE 69 -0.210 7.036 -4.924 560 HG21 ILE 69 1HG2 ILE 69 1.478 8.880 -3.106 561 HG22 ILE 69 2HG2 ILE 69 0.104 9.515 -2.199 562 HG23 ILE 69 3HG2 ILE 69 -0.016 9.308 -3.943 563 HD11 ILE 69 3HD1 ILE 69 1.898 5.910 -5.171 564 HD12 ILE 69 1HD1 ILE 69 2.164 5.968 -3.426 565 HD13 ILE 69 2HD1 ILE 69 2.154 7.460 -4.363 566 H GLU 70 HN GLU 70 -1.357 6.481 0.291 567 HA GLU 70 HA GLU 70 -1.779 9.138 1.051 568 HB2 GLU 70 2HB GLU 70 -3.170 8.236 2.804 569 HB3 GLU 70 1HB GLU 70 -3.463 7.381 1.305 570 HG2 GLU 70 2HG GLU 70 -2.253 5.482 2.063 571 HG3 GLU 70 1HG GLU 70 -1.659 6.353 3.478 572 H ASP 71 HN ASP 71 -1.763 9.755 3.401 573 HA ASP 71 HA ASP 71 0.803 9.152 4.685 574 HB2 ASP 71 2HB ASP 71 0.936 11.239 3.252 575 HB3 ASP 71 1HB ASP 71 -0.302 11.950 4.278 576 H LYS 72 HN LYS 72 0.769 10.005 7.001 577 HA LYS 72 HA LYS 72 -1.815 9.301 8.122 578 HB2 LYS 72 2HB LYS 72 0.631 8.606 8.923 579 HB3 LYS 72 1HB LYS 72 0.465 10.080 9.871 580 HG2 LYS 72 2HG LYS 72 -1.626 9.207 10.828 581 HG3 LYS 72 1HG LYS 72 -1.401 7.714 9.919 582 HD2 LYS 72 2HD LYS 72 0.797 7.441 11.104 583 HD3 LYS 72 1HD LYS 72 0.339 8.811 12.118 584 HE2 LYS 72 2HE LYS 72 -1.091 6.163 11.881 585 HE3 LYS 72 1HE LYS 72 -0.206 6.771 13.277 586 HZ1 LYS 72 3HZ LYS 72 -2.549 7.054 13.627 587 HZ2 LYS 72 1HZ LYS 72 -2.728 7.881 12.158 588 HZ3 LYS 72 2HZ LYS 72 -1.850 8.590 13.420 589 H LYS 73 HN LYS 73 -0.389 12.081 7.073 590 HA LYS 73 HA LYS 73 -1.502 13.858 9.054 591 HB2 LYS 73 2HB LYS 73 -0.224 14.319 6.361 592 HB3 LYS 73 1HB LYS 73 -0.839 15.619 7.362 593 HG2 LYS 73 2HG LYS 73 0.751 15.079 9.105 594 HG3 LYS 73 1HG LYS 73 1.327 13.693 8.178 595 HD2 LYS 73 2HD LYS 73 1.482 16.570 7.271 596 HD3 LYS 73 1HD LYS 73 2.814 15.665 7.988 597 HE2 LYS 73 2HE LYS 73 2.731 14.070 6.142 598 HE3 LYS 73 1HE LYS 73 1.373 14.945 5.440 599 HZ1 LYS 73 3HZ LYS 73 3.481 15.508 4.373 600 HZ2 LYS 73 1HZ LYS 73 4.096 16.069 5.853 601 HZ3 LYS 73 2HZ LYS 73 2.789 16.863 5.127 602 H LEU 74 HN LEU 74 -3.034 11.948 7.103 603 HA LEU 74 HA LEU 74 -4.835 13.819 5.835 604 HB2 LEU 74 2HB LEU 74 -4.744 10.806 5.866 605 HB3 LEU 74 1HB LEU 74 -5.936 11.744 5.004 606 HG LEU 74 HG LEU 74 -2.973 11.692 4.464 607 HD11 LEU 74 1HD1 LEU 74 -3.673 10.741 2.302 608 HD12 LEU 74 2HD1 LEU 74 -5.336 10.686 2.893 609 HD13 LEU 74 3HD1 LEU 74 -4.089 9.713 3.674 610 HD21 LEU 74 3HD2 LEU 74 -3.472 13.139 2.552 611 HD22 LEU 74 1HD2 LEU 74 -3.841 13.928 4.086 612 HD23 LEU 74 2HD2 LEU 74 -5.143 13.274 3.094 613 H ASN 75 HN ASN 75 -5.653 14.778 7.646 614 HA ASN 75 HA ASN 75 -7.202 15.213 9.232 615 HB2 ASN 75 2HB ASN 75 -8.698 13.769 7.729 616 HB3 ASN 75 1HB ASN 75 -8.372 12.456 8.857 617 HD21 ASN 75 1HD2 ASN 75 -10.880 13.769 8.207 618 HD22 ASN 75 2HD2 ASN 75 -11.506 14.381 9.706 619 H ILE 76 HN ILE 76 -6.649 15.324 11.263 620 HA ILE 76 HA ILE 76 -4.775 13.494 12.383 621 HB ILE 76 HB ILE 76 -6.237 15.790 13.696 622 HG12 ILE 76 2HG1 ILE 76 -3.888 16.863 13.435 623 HG13 ILE 76 1HG1 ILE 76 -3.623 15.627 12.214 624 HG21 ILE 76 1HG2 ILE 76 -4.437 15.733 15.371 625 HG22 ILE 76 2HG2 ILE 76 -3.800 14.272 14.612 626 HG23 ILE 76 3HG2 ILE 76 -5.398 14.254 15.360 627 HD11 ILE 76 3HD1 ILE 76 -4.322 17.745 11.239 628 HD12 ILE 76 1HD1 ILE 76 -5.815 17.685 12.173 629 HD13 ILE 76 2HD1 ILE 76 -5.504 16.471 10.928 630 H ASP 77 HN ASP 77 -5.061 11.916 13.862 631 HA ASP 77 HA ASP 77 -7.727 10.984 14.408 632 HB2 ASP 77 2HB ASP 77 -5.030 9.958 15.309 633 HB3 ASP 77 1HB ASP 77 -6.559 9.191 15.718 634 H THR 78 HN THR 78 -8.382 12.900 15.503 635 HA THR 78 HA THR 78 -7.638 12.856 18.351 636 HB THR 78 HB THR 78 -6.741 14.870 17.198 637 HG1 THR 78 1HG THR 78 -7.097 15.921 18.989 638 HG21 THR 78 3HG2 THR 78 -9.647 15.527 16.715 639 HG22 THR 78 1HG2 THR 78 -8.448 15.138 15.481 640 HG23 THR 78 2HG2 THR 78 -8.288 16.615 16.432 641 H VAL 79 HN VAL 79 -9.519 14.470 19.399 642 HA VAL 79 HA VAL 79 -12.040 13.113 18.724 643 HB VAL 79 HB VAL 79 -11.394 12.557 20.956 644 HG11 VAL 79 1HG1 VAL 79 -11.159 15.506 21.525 645 HG12 VAL 79 2HG1 VAL 79 -9.827 14.356 21.404 646 HG13 VAL 79 3HG1 VAL 79 -11.004 14.209 22.709 647 HG21 VAL 79 3HG2 VAL 79 -13.276 13.442 22.269 648 HG22 VAL 79 1HG2 VAL 79 -13.762 12.931 20.650 649 HG23 VAL 79 2HG2 VAL 79 -13.564 14.647 21.012 650 HA PRO 80 HA PRO 80 -12.627 17.382 17.212 651 HB2 PRO 80 2HB PRO 80 -14.719 16.108 15.585 652 HB3 PRO 80 1HB PRO 80 -13.317 17.050 15.070 653 HG2 PRO 80 2HG PRO 80 -13.453 14.399 14.678 654 HG3 PRO 80 1HG PRO 80 -11.920 15.209 15.058 655 HD2 PRO 80 2HD PRO 80 -13.743 13.656 16.865 656 HD3 PRO 80 1HD PRO 80 -11.970 13.614 16.751 657 H ILE 81 HN ILE 81 -13.612 18.415 18.877 658 HA ILE 81 HA ILE 81 -16.364 17.804 19.541 659 HB ILE 81 HB ILE 81 -15.071 18.375 21.426 660 HG12 ILE 81 2HG1 ILE 81 -16.693 20.818 20.687 661 HG13 ILE 81 1HG1 ILE 81 -17.337 19.340 21.393 662 HG21 ILE 81 1HG2 ILE 81 -13.203 19.461 20.370 663 HG22 ILE 81 2HG2 ILE 81 -13.841 20.513 21.637 664 HG23 ILE 81 3HG2 ILE 81 -14.205 20.847 19.942 665 HD11 ILE 81 3HD1 ILE 81 -16.042 19.730 23.411 666 HD12 ILE 81 1HD1 ILE 81 -17.088 21.102 23.047 667 HD13 ILE 81 2HD1 ILE 81 -15.360 21.194 22.698 668 H GLU 82 HN GLU 82 -18.025 18.699 18.643 669 HA GLU 82 HA GLU 82 -17.842 21.308 17.352 670 HB2 GLU 82 2HB GLU 82 -18.681 18.771 15.933 671 HB3 GLU 82 1HB GLU 82 -19.007 20.386 15.321 672 HG2 GLU 82 2HG GLU 82 -16.672 20.829 15.065 673 HG3 GLU 82 1HG GLU 82 -16.249 19.323 15.877 674 H SER 83 HN SER 83 -19.519 22.449 18.074 675 HA SER 83 HA SER 83 -21.934 21.178 18.991 676 HB2 SER 83 2HB SER 83 -22.699 23.628 19.176 677 HB3 SER 83 1HB SER 83 -21.343 23.135 20.192 678 HG SER 83 HG SER 83 -20.948 25.127 19.124 679 H GLY 84 HN GLY 84 -23.430 20.464 17.619 680 HA2 GLY 84 2HA GLY 84 -23.258 21.137 14.831 681 HA3 GLY 84 1HA GLY 84 -24.378 20.003 15.563 682 H TYR 85 HN TYR 85 -24.834 22.649 17.368 683 HA TYR 85 HA TYR 85 -26.472 24.227 17.501 684 HB2 TYR 85 2HB TYR 85 -26.200 24.420 14.489 685 HB3 TYR 85 1HB TYR 85 -26.894 25.629 15.561 686 HD1 TYR 85 1HD TYR 85 -25.248 26.533 17.426 687 HD2 TYR 85 2HD TYR 85 -24.012 24.646 13.818 688 HE1 TYR 85 1HE TYR 85 -23.044 27.611 17.622 689 HE2 TYR 85 2HE TYR 85 -21.806 25.709 14.009 690 HH TYR 85 HH TYR 85 -20.779 27.644 15.048 691 H THR 86 HN THR 86 -28.598 24.867 15.812 692 HA THR 86 HA THR 86 -30.241 22.481 15.941 693 HB THR 86 HB THR 86 -31.129 25.104 14.760 694 HG1 THR 86 1HG THR 86 -31.490 25.880 16.848 695 HG21 THR 86 3HG2 THR 86 -33.264 24.482 15.812 696 HG22 THR 86 1HG2 THR 86 -32.518 23.019 16.457 697 HG23 THR 86 2HG2 THR 86 -32.698 23.224 14.715 698 H LEU 87 HN LEU 87 -27.934 23.149 13.976 699 HA LEU 87 HA LEU 87 -27.331 22.722 11.842 700 HB2 LEU 87 2HB LEU 87 -30.015 21.339 11.709 701 HB3 LEU 87 1HB LEU 87 -28.765 21.221 10.485 702 HG LEU 87 HG LEU 87 -28.520 20.257 13.338 703 HD11 LEU 87 1HD1 LEU 87 -28.547 18.020 12.351 704 HD12 LEU 87 2HD1 LEU 87 -28.854 18.730 10.765 705 HD13 LEU 87 3HD1 LEU 87 -30.052 18.888 12.051 706 HD21 LEU 87 3HD2 LEU 87 -26.372 20.978 12.458 707 HD22 LEU 87 1HD2 LEU 87 -26.622 20.005 11.006 708 HD23 LEU 87 2HD2 LEU 87 -26.432 19.216 12.572 709 H GLU 88 HN GLU 88 -28.875 22.685 9.467 710 HA GLU 88 HA GLU 88 -29.376 25.490 9.171 711 HB2 GLU 88 2HB GLU 88 -29.573 23.144 7.293 712 HB3 GLU 88 1HB GLU 88 -30.133 24.741 6.823 713 HG2 GLU 88 2HG GLU 88 -27.942 24.459 5.972 714 HG3 GLU 88 1HG GLU 88 -27.851 25.607 7.305 715 H HIS 89 HN HIS 89 -31.296 22.579 9.490 716 HA HIS 89 HA HIS 89 -33.516 22.193 9.789 717 HB2 HIS 89 2HB HIS 89 -33.065 23.879 11.649 718 HB3 HIS 89 1HB HIS 89 -33.734 25.109 10.581 719 HD1 HIS 89 1HD HIS 89 -36.186 25.486 10.795 720 HD2 HIS 89 2HD HIS 89 -35.053 21.741 12.219 721 HE1 HIS 89 1HE HIS 89 -38.259 24.486 11.802 722 HE2 HIS 89 2HE HIS 89 -37.564 22.221 12.655 723 H HIS 90 HN HIS 90 -32.483 23.116 7.244 724 HA HIS 90 HA HIS 90 -34.597 24.814 6.152 725 HB2 HIS 90 2HB HIS 90 -32.261 25.446 5.702 726 HB3 HIS 90 1HB HIS 90 -31.975 23.881 4.949 727 HD1 HIS 90 1HD HIS 90 -32.283 23.804 2.488 728 HD2 HIS 90 2HD HIS 90 -34.282 27.016 4.216 729 HE1 HIS 90 1HE HIS 90 -33.204 25.143 0.570 730 HE2 HIS 90 2HE HIS 90 -34.562 26.977 1.643 731 H HIS 91 HN HIS 91 -36.326 23.726 5.516 732 HA HIS 91 HA HIS 91 -35.918 21.472 3.683 733 HB2 HIS 91 2HB HIS 91 -37.973 20.383 4.659 734 HB3 HIS 91 1HB HIS 91 -36.572 20.388 5.720 735 HD1 HIS 91 1HD HIS 91 -36.839 21.422 7.978 736 HD2 HIS 91 2HD HIS 91 -40.027 22.280 5.441 737 HE1 HIS 91 1HE HIS 91 -38.576 22.537 9.417 738 HE2 HIS 91 2HE HIS 91 -40.565 22.866 7.908 739 H HIS 92 HN HIS 92 -37.478 21.289 2.040 740 HA HIS 92 HA HIS 92 -38.991 23.780 1.657 741 HB2 HIS 92 2HB HIS 92 -39.008 23.029 -0.804 742 HB3 HIS 92 1HB HIS 92 -37.508 23.654 -0.139 743 HD1 HIS 92 1HD HIS 92 -35.496 22.127 -0.158 744 HD2 HIS 92 2HD HIS 92 -39.020 20.200 -1.249 745 HE1 HIS 92 1HE HIS 92 -34.795 19.901 -1.084 746 HE2 HIS 92 2HE HIS 92 -36.946 18.679 -1.545 747 H HIS 93 HN HIS 93 -41.098 23.804 1.266 748 HA HIS 93 HA HIS 93 -42.619 21.447 1.921 749 HB2 HIS 93 2HB HIS 93 -43.206 23.775 2.653 750 HB3 HIS 93 1HB HIS 93 -43.609 24.153 0.983 751 HD1 HIS 93 1HD HIS 93 -46.083 24.434 1.083 752 HD2 HIS 93 2HD HIS 93 -44.811 20.969 3.001 753 HE1 HIS 93 1HE HIS 93 -48.183 23.195 1.704 754 HE2 HIS 93 2HE HIS 93 -47.390 21.041 2.747 755 H HIS 94 HN HIS 94 -41.493 22.946 -0.935 756 HA HIS 94 HA HIS 94 -42.806 20.864 -2.501 757 HB2 HIS 94 2HB HIS 94 -43.026 23.811 -3.004 758 HB3 HIS 94 1HB HIS 94 -42.988 22.705 -4.372 759 HD1 HIS 94 1HD HIS 94 -45.369 24.474 -2.602 760 HD2 HIS 94 2HD HIS 94 -45.051 20.463 -3.651 761 HE1 HIS 94 1HE HIS 94 -47.706 23.554 -2.486 762 HE2 HIS 94 2HE HIS 94 -47.513 21.206 -3.373 Start of MODEL 6 1 H1 MET 1 H1 MET 1 14.263 10.153 11.723 2 H2 MET 1 H2 MET 1 15.555 9.289 11.052 3 H3 MET 1 H3 MET 1 14.245 9.748 10.080 4 HA MET 1 HA MET 1 14.773 12.064 10.375 5 HB2 MET 1 2HB MET 1 16.787 12.770 11.492 6 HB3 MET 1 1HB MET 1 15.839 11.798 12.605 7 HG2 MET 1 2HG MET 1 17.292 9.898 12.238 8 HG3 MET 1 1HG MET 1 18.219 10.808 11.045 9 HE1 MET 1 2HE MET 1 20.491 10.284 12.281 10 HE2 MET 1 3HE MET 1 19.606 9.314 13.459 11 HE3 MET 1 1HE MET 1 20.750 10.538 14.008 12 H VAL 2 HN VAL 2 16.735 9.234 9.617 13 HA VAL 2 HA VAL 2 17.911 10.753 7.387 14 HB VAL 2 HB VAL 2 19.569 9.826 8.971 15 HG11 VAL 2 1HG1 VAL 2 19.981 7.393 9.008 16 HG12 VAL 2 2HG1 VAL 2 18.494 7.150 8.091 17 HG13 VAL 2 3HG1 VAL 2 18.426 7.834 9.716 18 HG21 VAL 2 3HG2 VAL 2 19.640 8.565 6.236 19 HG22 VAL 2 1HG2 VAL 2 21.025 8.791 7.301 20 HG23 VAL 2 2HG2 VAL 2 20.181 10.193 6.642 21 H LYS 3 HN LYS 3 15.956 8.017 8.241 22 HA LYS 3 HA LYS 3 15.916 7.186 5.422 23 HB2 LYS 3 2HB LYS 3 16.381 5.582 7.510 24 HB3 LYS 3 1HB LYS 3 14.625 5.513 7.522 25 HG2 LYS 3 2HG LYS 3 15.600 3.671 6.246 26 HG3 LYS 3 1HG LYS 3 14.616 4.721 5.222 27 HD2 LYS 3 2HD LYS 3 16.685 4.133 4.084 28 HD3 LYS 3 1HD LYS 3 16.660 5.858 4.449 29 HE2 LYS 3 2HE LYS 3 18.821 5.189 5.027 30 HE3 LYS 3 1HE LYS 3 17.962 5.237 6.565 31 HZ1 LYS 3 3HZ LYS 3 19.107 3.239 6.635 32 HZ2 LYS 3 1HZ LYS 3 18.818 2.887 5.002 33 HZ3 LYS 3 2HZ LYS 3 17.564 2.754 6.131 34 H ASP 4 HN ASP 4 14.160 7.527 4.242 35 HA ASP 4 HA ASP 4 12.151 9.271 5.130 36 HB2 ASP 4 2HB ASP 4 12.183 7.465 2.706 37 HB3 ASP 4 1HB ASP 4 11.007 8.743 2.983 38 H LYS 5 HN LYS 5 10.576 8.845 6.518 39 HA LYS 5 HA LYS 5 9.692 6.205 7.080 40 HB2 LYS 5 2HB LYS 5 9.123 8.889 8.095 41 HB3 LYS 5 1HB LYS 5 7.735 7.810 8.132 42 HG2 LYS 5 2HG LYS 5 9.189 6.136 9.306 43 HG3 LYS 5 1HG LYS 5 10.409 7.404 9.444 44 HD2 LYS 5 2HD LYS 5 8.986 8.744 10.790 45 HD3 LYS 5 1HD LYS 5 7.588 7.725 10.444 46 HE2 LYS 5 2HE LYS 5 10.039 6.922 12.009 47 HE3 LYS 5 1HE LYS 5 8.451 7.292 12.680 48 HZ1 LYS 5 3HZ LYS 5 9.137 5.020 10.888 49 HZ2 LYS 5 1HZ LYS 5 7.557 5.416 11.366 50 HZ3 LYS 5 2HZ LYS 5 8.691 4.930 12.525 51 H GLN 6 HN GLN 6 8.404 8.826 5.084 52 HA GLN 6 HA GLN 6 5.852 7.696 4.651 53 HB2 GLN 6 2HB GLN 6 6.494 10.055 4.124 54 HB3 GLN 6 1HB GLN 6 7.411 9.457 2.749 55 HG2 GLN 6 2HG GLN 6 5.275 10.287 2.019 56 HG3 GLN 6 1HG GLN 6 5.352 8.543 1.785 57 HE21 GLN 6 1HE2 GLN 6 3.908 11.135 3.576 58 HE22 GLN 6 2HE2 GLN 6 2.637 10.206 4.295 59 H LYS 7 HN LYS 7 8.881 7.432 2.842 60 HA LYS 7 HA LYS 7 7.951 5.693 0.845 61 HB2 LYS 7 2HB LYS 7 10.661 6.301 1.978 62 HB3 LYS 7 1HB LYS 7 10.465 5.009 0.802 63 HG2 LYS 7 2HG LYS 7 9.880 6.458 -0.896 64 HG3 LYS 7 1HG LYS 7 9.375 7.726 0.218 65 HD2 LYS 7 2HD LYS 7 11.478 8.275 -0.939 66 HD3 LYS 7 1HD LYS 7 11.682 8.174 0.809 67 HE2 LYS 7 2HE LYS 7 12.528 5.851 0.504 68 HE3 LYS 7 1HE LYS 7 12.461 6.104 -1.240 69 HZ1 LYS 7 3HZ LYS 7 14.096 7.791 -1.102 70 HZ2 LYS 7 1HZ LYS 7 14.676 6.491 -0.183 71 HZ3 LYS 7 2HZ LYS 7 14.013 7.850 0.590 72 H ALA 8 HN ALA 8 9.187 5.105 4.083 73 HA ALA 8 HA ALA 8 9.346 2.287 3.874 74 HB1 ALA 8 1HB ALA 8 9.435 2.299 6.317 75 HB2 ALA 8 2HB ALA 8 8.953 3.995 6.327 76 HB3 ALA 8 3HB ALA 8 10.505 3.524 5.632 77 H ILE 9 HN ILE 9 6.761 4.494 4.841 78 HA ILE 9 HA ILE 9 4.921 2.565 5.751 79 HB ILE 9 HB ILE 9 4.395 5.272 4.510 80 HG12 ILE 9 2HG1 ILE 9 4.452 4.400 7.410 81 HG13 ILE 9 1HG1 ILE 9 5.728 5.302 6.602 82 HG21 ILE 9 1HG2 ILE 9 2.511 3.528 6.093 83 HG22 ILE 9 2HG2 ILE 9 2.431 3.807 4.355 84 HG23 ILE 9 3HG2 ILE 9 2.165 5.146 5.472 85 HD11 ILE 9 3HD1 ILE 9 4.322 6.749 7.963 86 HD12 ILE 9 1HD1 ILE 9 2.910 6.257 7.028 87 HD13 ILE 9 2HD1 ILE 9 4.209 7.166 6.252 88 H PHE 10 HN PHE 10 5.230 4.136 2.578 89 HA PHE 10 HA PHE 10 3.188 2.819 1.242 90 HB2 PHE 10 2HB PHE 10 4.345 4.712 0.269 91 HB3 PHE 10 1HB PHE 10 5.849 3.802 0.194 92 HD1 PHE 10 2HD PHE 10 2.459 4.103 -1.224 93 HD2 PHE 10 1HD PHE 10 6.308 2.331 -1.611 94 HE1 PHE 10 2HE PHE 10 1.880 3.347 -3.493 95 HE2 PHE 10 1HE PHE 10 5.735 1.572 -3.878 96 HZ PHE 10 HZ PHE 10 3.518 2.078 -4.820 97 H SER 11 HN SER 11 6.611 1.901 1.481 98 HA SER 11 HA SER 11 6.409 -0.454 -0.026 99 HB2 SER 11 2HB SER 11 8.383 0.281 2.148 100 HB3 SER 11 1HB SER 11 8.580 -1.043 0.999 101 HG SER 11 HG SER 11 8.984 0.337 -0.571 102 H GLU 12 HN GLU 12 6.152 0.097 3.478 103 HA GLU 12 HA GLU 12 6.022 -2.587 4.273 104 HB2 GLU 12 2HB GLU 12 6.319 -0.651 5.805 105 HB3 GLU 12 1HB GLU 12 4.630 -0.230 5.557 106 HG2 GLU 12 2HG GLU 12 4.823 -1.390 7.627 107 HG3 GLU 12 1HG GLU 12 4.003 -2.447 6.479 108 H ASN 13 HN ASN 13 3.427 -0.309 3.436 109 HA ASN 13 HA ASN 13 1.266 -2.051 3.870 110 HB2 ASN 13 2HB ASN 13 1.536 0.299 1.984 111 HB3 ASN 13 1HB ASN 13 0.025 -0.556 2.265 112 HD21 ASN 13 1HD2 ASN 13 0.656 2.225 2.759 113 HD22 ASN 13 2HD2 ASN 13 0.380 2.487 4.444 114 H LEU 14 HN LEU 14 2.931 -1.218 0.837 115 HA LEU 14 HA LEU 14 1.475 -2.928 -0.831 116 HB2 LEU 14 2HB LEU 14 2.899 -1.122 -1.654 117 HB3 LEU 14 1HB LEU 14 4.326 -1.968 -1.088 118 HG LEU 14 HG LEU 14 3.823 -3.797 -2.702 119 HD11 LEU 14 1HD1 LEU 14 1.450 -3.499 -2.969 120 HD12 LEU 14 2HD1 LEU 14 2.245 -3.313 -4.533 121 HD13 LEU 14 3HD1 LEU 14 1.693 -1.891 -3.648 122 HD21 LEU 14 3HD2 LEU 14 4.562 -2.573 -4.677 123 HD22 LEU 14 1HD2 LEU 14 5.427 -2.039 -3.237 124 HD23 LEU 14 2HD2 LEU 14 4.129 -1.047 -3.904 125 H ASN 15 HN ASN 15 4.526 -3.468 0.889 126 HA ASN 15 HA ASN 15 5.132 -5.971 -0.235 127 HB2 ASN 15 2HB ASN 15 6.631 -4.376 1.110 128 HB3 ASN 15 1HB ASN 15 5.931 -5.120 2.542 129 HD21 ASN 15 1HD2 ASN 15 7.914 -5.912 3.186 130 HD22 ASN 15 2HD2 ASN 15 8.679 -7.247 2.390 131 H SER 16 HN SER 16 3.131 -5.067 2.502 132 HA SER 16 HA SER 16 2.878 -7.643 3.630 133 HB2 SER 16 2HB SER 16 0.988 -5.282 3.740 134 HB3 SER 16 1HB SER 16 0.893 -6.704 4.779 135 HG SER 16 HG SER 16 2.831 -4.653 4.712 136 H TYR 17 HN TYR 17 0.962 -5.899 1.201 137 HA TYR 17 HA TYR 17 -0.999 -7.931 0.905 138 HB2 TYR 17 2HB TYR 17 -0.127 -5.715 -0.956 139 HB3 TYR 17 1HB TYR 17 -1.479 -6.792 -1.293 140 HD1 TYR 17 2HD TYR 17 -3.297 -6.907 0.619 141 HD2 TYR 17 1HD TYR 17 -0.548 -3.704 0.102 142 HE1 TYR 17 2HE TYR 17 -4.788 -5.427 1.894 143 HE2 TYR 17 1HE TYR 17 -2.032 -2.213 1.371 144 HH TYR 17 HH TYR 17 -4.358 -2.034 2.008 145 H ILE 18 HN ILE 18 2.106 -7.300 -0.570 146 HA ILE 18 HA ILE 18 1.993 -9.165 -2.680 147 HB ILE 18 HB ILE 18 4.391 -8.169 -1.121 148 HG12 ILE 18 2HG1 ILE 18 3.320 -7.274 -3.805 149 HG13 ILE 18 1HG1 ILE 18 2.989 -6.447 -2.290 150 HG21 ILE 18 1HG2 ILE 18 5.714 -8.859 -3.068 151 HG22 ILE 18 2HG2 ILE 18 4.273 -9.580 -3.778 152 HG23 ILE 18 3HG2 ILE 18 4.932 -10.228 -2.278 153 HD11 ILE 18 3HD1 ILE 18 4.766 -5.335 -3.476 154 HD12 ILE 18 1HD1 ILE 18 5.685 -6.838 -3.551 155 HD13 ILE 18 2HD1 ILE 18 5.394 -6.063 -1.995 156 H ALA 19 HN ALA 19 3.253 -9.467 0.637 157 HA ALA 19 HA ALA 19 4.089 -12.158 0.372 158 HB1 ALA 19 1HB ALA 19 4.934 -10.635 2.101 159 HB2 ALA 19 2HB ALA 19 4.322 -12.141 2.784 160 HB3 ALA 19 3HB ALA 19 3.358 -10.666 2.887 161 H LYS 20 HN LYS 20 1.087 -10.699 1.547 162 HA LYS 20 HA LYS 20 0.004 -13.223 2.394 163 HB2 LYS 20 2HB LYS 20 -0.770 -10.408 2.533 164 HB3 LYS 20 1HB LYS 20 -2.126 -11.502 2.300 165 HG2 LYS 20 2HG LYS 20 -1.710 -11.067 4.670 166 HG3 LYS 20 1HG LYS 20 -1.472 -12.768 4.271 167 HD2 LYS 20 2HD LYS 20 0.978 -12.309 4.100 168 HD3 LYS 20 1HD LYS 20 0.661 -10.677 4.687 169 HE2 LYS 20 2HE LYS 20 -0.004 -13.220 6.170 170 HE3 LYS 20 1HE LYS 20 1.406 -12.208 6.477 171 HZ1 LYS 20 3HZ LYS 20 -0.352 -11.746 8.043 172 HZ2 LYS 20 1HZ LYS 20 -1.433 -11.385 6.787 173 HZ3 LYS 20 2HZ LYS 20 -0.084 -10.392 7.062 174 H SER 21 HN SER 21 0.334 -11.808 -0.593 175 HA SER 21 HA SER 21 -2.076 -12.772 -1.800 176 HB2 SER 21 2HB SER 21 -0.758 -10.887 -2.740 177 HB3 SER 21 1HB SER 21 0.553 -12.006 -3.106 178 HG SER 21 HG SER 21 -2.022 -12.590 -4.062 179 H GLU 22 HN GLU 22 0.795 -14.199 -0.760 180 HA GLU 22 HA GLU 22 1.573 -16.322 -0.754 181 HB2 GLU 22 2HB GLU 22 -0.707 -17.139 -0.628 182 HB3 GLU 22 1HB GLU 22 -0.893 -16.971 -2.369 183 HG2 GLU 22 2HG GLU 22 0.873 -18.665 -2.686 184 HG3 GLU 22 1HG GLU 22 0.951 -18.866 -0.937 185 H LYS 23 HN LYS 23 0.469 -15.128 -3.875 186 HA LYS 23 HA LYS 23 2.315 -16.585 -5.446 187 HB2 LYS 23 2HB LYS 23 0.483 -14.302 -5.848 188 HB3 LYS 23 1HB LYS 23 1.889 -14.321 -6.894 189 HG2 LYS 23 2HG LYS 23 0.258 -15.431 -8.123 190 HG3 LYS 23 1HG LYS 23 1.241 -16.724 -7.450 191 HD2 LYS 23 2HD LYS 23 -1.291 -15.789 -6.120 192 HD3 LYS 23 1HD LYS 23 -1.299 -17.005 -7.393 193 HE2 LYS 23 2HE LYS 23 0.291 -18.349 -6.007 194 HE3 LYS 23 1HE LYS 23 0.065 -17.175 -4.710 195 HZ1 LYS 23 3HZ LYS 23 -1.424 -18.929 -4.266 196 HZ2 LYS 23 1HZ LYS 23 -1.949 -19.012 -5.880 197 HZ3 LYS 23 2HZ LYS 23 -2.388 -17.691 -4.912 198 H THR 24 HN THR 24 4.198 -15.557 -6.591 199 HA THR 24 HA THR 24 5.815 -14.432 -4.470 200 HB THR 24 HB THR 24 7.666 -14.811 -6.235 201 HG1 THR 24 1HG THR 24 6.965 -16.603 -7.659 202 HG21 THR 24 3HG2 THR 24 6.159 -17.136 -5.039 203 HG22 THR 24 1HG2 THR 24 7.345 -16.140 -4.196 204 HG23 THR 24 2HG2 THR 24 7.845 -17.148 -5.554 205 H GLN 25 HN GLN 25 7.351 -12.769 -4.846 206 HA GLN 25 HA GLN 25 6.215 -10.378 -5.705 207 HB2 GLN 25 2HB GLN 25 9.127 -11.105 -5.338 208 HB3 GLN 25 1HB GLN 25 8.508 -9.464 -5.463 209 HG2 GLN 25 2HG GLN 25 7.246 -9.740 -3.429 210 HG3 GLN 25 1HG GLN 25 7.705 -11.436 -3.333 211 HE21 GLN 25 1HE2 GLN 25 8.714 -8.159 -2.891 212 HE22 GLN 25 2HE2 GLN 25 10.166 -8.510 -2.022 213 H LEU 26 HN LEU 26 8.343 -12.634 -7.330 214 HA LEU 26 HA LEU 26 8.893 -11.085 -9.626 215 HB2 LEU 26 2HB LEU 26 9.634 -13.564 -8.663 216 HB3 LEU 26 1HB LEU 26 8.703 -13.960 -10.094 217 HG LEU 26 HG LEU 26 11.100 -12.130 -10.025 218 HD11 LEU 26 1HD1 LEU 26 12.235 -13.922 -11.234 219 HD12 LEU 26 2HD1 LEU 26 10.801 -14.938 -11.079 220 HD13 LEU 26 3HD1 LEU 26 11.703 -14.459 -9.640 221 HD21 LEU 26 3HD2 LEU 26 10.972 -12.218 -12.465 222 HD22 LEU 26 1HD2 LEU 26 9.519 -11.501 -11.771 223 HD23 LEU 26 2HD2 LEU 26 9.489 -13.166 -12.355 224 H GLU 27 HN GLU 27 6.309 -13.366 -8.857 225 HA GLU 27 HA GLU 27 5.109 -13.510 -11.376 226 HB2 GLU 27 2HB GLU 27 4.175 -13.974 -8.567 227 HB3 GLU 27 1HB GLU 27 3.038 -14.058 -9.895 228 HG2 GLU 27 2HG GLU 27 5.548 -15.693 -9.665 229 HG3 GLU 27 1HG GLU 27 3.924 -16.253 -9.266 230 H ILE 28 HN ILE 28 4.603 -11.286 -8.679 231 HA ILE 28 HA ILE 28 2.508 -9.840 -9.971 232 HB ILE 28 HB ILE 28 4.321 -8.952 -7.718 233 HG12 ILE 28 2HG1 ILE 28 1.582 -10.240 -7.640 234 HG13 ILE 28 1HG1 ILE 28 3.090 -11.043 -7.225 235 HG21 ILE 28 1HG2 ILE 28 2.518 -7.375 -7.198 236 HG22 ILE 28 2HG2 ILE 28 1.634 -7.918 -8.626 237 HG23 ILE 28 3HG2 ILE 28 3.185 -7.092 -8.806 238 HD11 ILE 28 3HD1 ILE 28 1.890 -10.383 -5.235 239 HD12 ILE 28 1HD1 ILE 28 1.882 -8.703 -5.773 240 HD13 ILE 28 2HD1 ILE 28 3.408 -9.491 -5.369 241 H ALA 29 HN ALA 29 6.005 -9.431 -9.634 242 HA ALA 29 HA ALA 29 6.270 -6.915 -10.805 243 HB1 ALA 29 1HB ALA 29 8.252 -9.186 -10.938 244 HB2 ALA 29 2HB ALA 29 8.071 -8.064 -9.588 245 HB3 ALA 29 3HB ALA 29 8.599 -7.472 -11.164 246 H LYS 30 HN LYS 30 6.383 -10.132 -12.352 247 HA LYS 30 HA LYS 30 6.926 -9.115 -14.930 248 HB2 LYS 30 2HB LYS 30 6.430 -11.334 -15.772 249 HB3 LYS 30 1HB LYS 30 7.424 -11.424 -14.329 250 HG2 LYS 30 2HG LYS 30 5.940 -13.099 -13.942 251 HG3 LYS 30 1HG LYS 30 5.128 -11.768 -13.126 252 HD2 LYS 30 2HD LYS 30 3.695 -11.427 -15.060 253 HD3 LYS 30 1HD LYS 30 4.549 -12.689 -15.943 254 HE2 LYS 30 2HE LYS 30 3.021 -13.134 -13.382 255 HE3 LYS 30 1HE LYS 30 2.366 -13.409 -14.996 256 HZ1 LYS 30 3HZ LYS 30 3.099 -15.484 -14.343 257 HZ2 LYS 30 1HZ LYS 30 4.506 -14.892 -13.597 258 HZ3 LYS 30 2HZ LYS 30 4.385 -14.923 -15.291 259 H SER 31 HN SER 31 3.999 -9.452 -13.137 260 HA SER 31 HA SER 31 2.242 -9.206 -15.398 261 HB2 SER 31 2HB SER 31 1.695 -8.805 -12.449 262 HB3 SER 31 1HB SER 31 0.475 -8.967 -13.714 263 HG SER 31 HG SER 31 2.200 -10.903 -12.622 264 H ILE 32 HN ILE 32 3.647 -7.060 -12.983 265 HA ILE 32 HA ILE 32 2.281 -4.706 -13.804 266 HB ILE 32 HB ILE 32 4.975 -4.959 -12.449 267 HG12 ILE 32 2HG1 ILE 32 3.256 -6.014 -11.115 268 HG13 ILE 32 1HG1 ILE 32 3.693 -4.480 -10.372 269 HG21 ILE 32 1HG2 ILE 32 4.616 -2.658 -11.702 270 HG22 ILE 32 2HG2 ILE 32 3.126 -2.584 -12.644 271 HG23 ILE 32 3HG2 ILE 32 4.680 -2.763 -13.461 272 HD11 ILE 32 3HD1 ILE 32 1.302 -4.824 -10.298 273 HD12 ILE 32 1HD1 ILE 32 1.253 -5.006 -12.052 274 HD13 ILE 32 2HD1 ILE 32 1.694 -3.453 -11.338 275 H GLY 33 HN GLY 33 5.405 -6.142 -14.650 276 HA2 GLY 33 2HA GLY 33 6.109 -6.055 -16.970 277 HA3 GLY 33 1HA GLY 33 5.403 -4.448 -17.068 278 H VAL 34 HN VAL 34 7.299 -5.492 -14.334 279 HA VAL 34 HA VAL 34 9.531 -3.803 -15.242 280 HB VAL 34 HB VAL 34 9.866 -3.058 -12.905 281 HG11 VAL 34 1HG1 VAL 34 7.998 -1.471 -12.813 282 HG12 VAL 34 2HG1 VAL 34 7.149 -2.417 -14.036 283 HG13 VAL 34 3HG1 VAL 34 8.668 -1.615 -14.438 284 HG21 VAL 34 3HG2 VAL 34 8.790 -4.873 -11.719 285 HG22 VAL 34 1HG2 VAL 34 7.226 -4.424 -12.403 286 HG23 VAL 34 2HG2 VAL 34 8.039 -3.340 -11.273 287 H SER 35 HN SER 35 11.580 -4.300 -14.121 288 HA SER 35 HA SER 35 12.020 -7.113 -14.052 289 HB2 SER 35 2HB SER 35 14.358 -6.342 -13.315 290 HB3 SER 35 1HB SER 35 13.799 -5.829 -14.906 291 HG SER 35 HG SER 35 14.499 -3.985 -14.053 292 HA PRO 36 HA PRO 36 11.104 -8.199 -9.949 293 HB2 PRO 36 2HB PRO 36 13.286 -9.834 -9.388 294 HB3 PRO 36 1HB PRO 36 11.789 -10.338 -10.175 295 HG2 PRO 36 2HG PRO 36 14.417 -9.617 -11.384 296 HG3 PRO 36 1HG PRO 36 13.250 -10.853 -11.884 297 HD2 PRO 36 2HD PRO 36 13.493 -8.530 -13.201 298 HD3 PRO 36 1HD PRO 36 11.913 -9.317 -12.995 299 H GLN 37 HN GLN 37 14.469 -7.146 -10.496 300 HA GLN 37 HA GLN 37 14.884 -6.606 -7.710 301 HB2 GLN 37 2HB GLN 37 16.467 -6.120 -10.189 302 HB3 GLN 37 1HB GLN 37 16.902 -5.274 -8.708 303 HG2 GLN 37 2HG GLN 37 17.091 -7.430 -7.548 304 HG3 GLN 37 1HG GLN 37 16.701 -8.259 -9.054 305 HE21 GLN 37 1HE2 GLN 37 18.652 -9.369 -8.986 306 HE22 GLN 37 2HE2 GLN 37 20.163 -8.599 -9.362 307 H THR 38 HN THR 38 13.605 -4.775 -10.371 308 HA THR 38 HA THR 38 13.830 -2.233 -9.053 309 HB THR 38 HB THR 38 11.978 -3.064 -11.304 310 HG1 THR 38 1HG THR 38 13.799 -3.070 -12.395 311 HG21 THR 38 3HG2 THR 38 11.872 -0.656 -11.798 312 HG22 THR 38 1HG2 THR 38 12.851 -0.322 -10.370 313 HG23 THR 38 2HG2 THR 38 11.236 -1.009 -10.190 314 H PHE 39 HN PHE 39 11.504 -4.815 -9.266 315 HA PHE 39 HA PHE 39 9.477 -3.600 -7.678 316 HB2 PHE 39 2HB PHE 39 9.298 -5.620 -9.244 317 HB3 PHE 39 1HB PHE 39 10.038 -6.555 -7.953 318 HD1 PHE 39 2HD PHE 39 7.101 -4.448 -8.779 319 HD2 PHE 39 1HD PHE 39 8.743 -7.413 -6.200 320 HE1 PHE 39 2HE PHE 39 4.881 -4.805 -7.778 321 HE2 PHE 39 1HE PHE 39 6.525 -7.778 -5.205 322 HZ PHE 39 HZ PHE 39 4.592 -6.471 -5.992 323 H ASN 40 HN ASN 40 12.349 -5.487 -7.088 324 HA ASN 40 HA ASN 40 11.934 -6.022 -4.342 325 HB2 ASN 40 2HB ASN 40 13.499 -7.294 -5.758 326 HB3 ASN 40 1HB ASN 40 14.527 -5.875 -5.893 327 HD21 ASN 40 1HD2 ASN 40 12.874 -6.838 -2.949 328 HD22 ASN 40 2HD2 ASN 40 14.298 -7.258 -2.070 329 H THR 41 HN THR 41 13.576 -3.376 -6.055 330 HA THR 41 HA THR 41 14.649 -2.145 -3.758 331 HB THR 41 HB THR 41 14.453 -0.024 -5.318 332 HG1 THR 41 1HG THR 41 13.094 -0.868 -6.886 333 HG21 THR 41 3HG2 THR 41 16.542 -1.164 -4.732 334 HG22 THR 41 1HG2 THR 41 16.526 -0.712 -6.435 335 HG23 THR 41 2HG2 THR 41 16.227 -2.385 -5.966 336 H TRP 42 HN TRP 42 11.449 -2.126 -5.130 337 HA TRP 42 HA TRP 42 10.468 0.045 -3.545 338 HB2 TRP 42 2HB TRP 42 9.020 -2.221 -4.928 339 HB3 TRP 42 1HB TRP 42 8.221 -0.859 -4.152 340 HD1 TRP 42 1HD TRP 42 10.670 1.130 -5.435 341 HE1 TRP 42 1HE TRP 42 10.284 1.919 -7.852 342 HE3 TRP 42 3HE TRP 42 7.230 -2.363 -6.888 343 HZ2 TRP 42 2HZ TRP 42 8.717 1.166 -10.079 344 HZ3 TRP 42 3HZ TRP 42 6.342 -2.259 -9.178 345 HH2 TRP 42 2HH TRP 42 7.070 -0.528 -10.740 346 H CYS 43 HN CYS 43 10.607 -3.449 -3.227 347 HA CYS 43 HA CYS 43 9.192 -3.699 -0.791 348 HB2 CYS 43 2HB CYS 43 9.612 -5.593 -2.285 349 HB3 CYS 43 1HB CYS 43 11.342 -5.447 -2.012 350 HG CYS 43 HG CYS 43 8.956 -6.762 0.002 351 H LYS 44 HN LYS 44 12.475 -2.835 -1.562 352 HA LYS 44 HA LYS 44 13.410 -3.047 1.155 353 HB2 LYS 44 2HB LYS 44 14.592 -2.154 -1.453 354 HB3 LYS 44 1HB LYS 44 15.410 -1.802 0.057 355 HG2 LYS 44 2HG LYS 44 14.630 -4.560 -0.855 356 HG3 LYS 44 1HG LYS 44 16.231 -3.845 -1.055 357 HD2 LYS 44 2HD LYS 44 16.429 -3.606 1.375 358 HD3 LYS 44 1HD LYS 44 14.830 -4.326 1.575 359 HE2 LYS 44 2HE LYS 44 15.626 -6.399 0.576 360 HE3 LYS 44 1HE LYS 44 17.212 -5.678 0.316 361 HZ1 LYS 44 3HZ LYS 44 17.295 -7.015 2.269 362 HZ2 LYS 44 1HZ LYS 44 15.932 -6.259 2.929 363 HZ3 LYS 44 2HZ LYS 44 17.372 -5.395 2.755 364 H GLY 45 HN GLY 45 11.481 -0.872 -0.430 365 HA2 GLY 45 2HA GLY 45 10.745 1.235 0.116 366 HA3 GLY 45 1HA GLY 45 11.597 1.048 1.640 367 H ILE 46 HN ILE 46 13.157 0.891 -1.498 368 HA ILE 46 HA ILE 46 14.919 3.043 -0.677 369 HB ILE 46 HB ILE 46 14.961 1.322 -3.165 370 HG12 ILE 46 2HG1 ILE 46 16.610 1.211 -0.625 371 HG13 ILE 46 1HG1 ILE 46 15.356 0.066 -1.082 372 HG21 ILE 46 1HG2 ILE 46 17.246 2.165 -3.477 373 HG22 ILE 46 2HG2 ILE 46 17.026 3.251 -2.105 374 HG23 ILE 46 3HG2 ILE 46 16.054 3.463 -3.561 375 HD11 ILE 46 3HD1 ILE 46 17.944 0.530 -2.541 376 HD12 ILE 46 1HD1 ILE 46 16.689 -0.620 -3.006 377 HD13 ILE 46 2HD1 ILE 46 17.564 -0.833 -1.488 378 H ALA 47 HN ALA 47 12.328 2.490 -2.958 379 HA ALA 47 HA ALA 47 12.164 5.329 -3.475 380 HB1 ALA 47 1HB ALA 47 12.274 5.136 -5.910 381 HB2 ALA 47 2HB ALA 47 12.654 3.419 -5.760 382 HB3 ALA 47 3HB ALA 47 13.786 4.629 -5.156 383 H ILE 48 HN ILE 48 10.177 6.000 -4.171 384 HA ILE 48 HA ILE 48 8.070 3.959 -4.350 385 HB ILE 48 HB ILE 48 7.923 6.955 -3.938 386 HG12 ILE 48 2HG1 ILE 48 7.087 4.661 -2.149 387 HG13 ILE 48 1HG1 ILE 48 8.566 5.596 -1.966 388 HG21 ILE 48 1HG2 ILE 48 6.063 6.214 -5.355 389 HG22 ILE 48 2HG2 ILE 48 5.504 6.712 -3.758 390 HG23 ILE 48 3HG2 ILE 48 5.638 4.999 -4.152 391 HD11 ILE 48 3HD1 ILE 48 5.767 6.680 -1.765 392 HD12 ILE 48 1HD1 ILE 48 7.256 7.597 -1.533 393 HD13 ILE 48 2HD1 ILE 48 6.829 6.308 -0.408 394 HA PRO 49 HA PRO 49 8.067 4.571 -8.781 395 HB2 PRO 49 2HB PRO 49 5.712 3.305 -9.289 396 HB3 PRO 49 1HB PRO 49 7.214 2.442 -8.953 397 HG2 PRO 49 2HG PRO 49 4.951 3.079 -7.098 398 HG3 PRO 49 1HG PRO 49 5.843 1.558 -7.291 399 HD2 PRO 49 2HD PRO 49 6.381 3.272 -5.277 400 HD3 PRO 49 1HD PRO 49 7.655 2.318 -6.071 401 H ARG 50 HN ARG 50 6.708 5.633 -10.393 402 HA ARG 50 HA ARG 50 5.400 7.930 -9.218 403 HB2 ARG 50 2HB ARG 50 7.050 7.885 -11.226 404 HB3 ARG 50 1HB ARG 50 5.647 7.403 -12.169 405 HG2 ARG 50 2HG ARG 50 4.565 9.440 -11.820 406 HG3 ARG 50 1HG ARG 50 5.600 9.857 -10.453 407 HD2 ARG 50 2HD ARG 50 7.514 10.063 -11.984 408 HD3 ARG 50 1HD ARG 50 6.457 9.681 -13.342 409 HE ARG 50 HE ARG 50 5.338 11.767 -12.999 410 HH11 ARG 50 1HH1 ARG 50 8.287 11.359 -11.147 411 HH12 ARG 50 2HH1 ARG 50 8.483 13.063 -10.851 412 HH21 ARG 50 1HH2 ARG 50 5.608 14.001 -12.637 413 HH22 ARG 50 2HH2 ARG 50 6.977 14.563 -11.720 414 H MET 51 HN MET 51 3.309 8.700 -10.384 415 HA MET 51 HA MET 51 1.305 7.106 -9.399 416 HB2 MET 51 2HB MET 51 -0.289 8.545 -10.533 417 HB3 MET 51 1HB MET 51 1.024 9.492 -9.851 418 HG2 MET 51 2HG MET 51 2.023 9.750 -12.026 419 HG3 MET 51 1HG MET 51 0.820 8.677 -12.741 420 HE1 MET 51 3HE MET 51 -0.152 12.852 -11.012 421 HE2 MET 51 1HE MET 51 1.483 12.192 -11.111 422 HE3 MET 51 2HE MET 51 0.301 11.476 -10.011 423 H GLY 52 HN GLY 52 2.559 7.105 -12.704 424 HA2 GLY 52 2HA GLY 52 0.441 5.625 -13.860 425 HA3 GLY 52 1HA GLY 52 2.065 5.779 -14.514 426 H LYS 53 HN LYS 53 3.380 4.649 -12.193 427 HA LYS 53 HA LYS 53 2.975 1.859 -12.890 428 HB2 LYS 53 2HB LYS 53 5.252 3.082 -12.575 429 HB3 LYS 53 1HB LYS 53 4.967 2.837 -10.858 430 HG2 LYS 53 2HG LYS 53 6.148 0.955 -11.261 431 HG3 LYS 53 1HG LYS 53 4.553 0.339 -11.697 432 HD2 LYS 53 2HD LYS 53 6.559 1.495 -13.638 433 HD3 LYS 53 1HD LYS 53 6.303 -0.227 -13.363 434 HE2 LYS 53 2HE LYS 53 4.024 -0.043 -14.183 435 HE3 LYS 53 1HE LYS 53 4.203 1.703 -14.350 436 HZ1 LYS 53 3HZ LYS 53 5.724 -0.351 -15.875 437 HZ2 LYS 53 1HZ LYS 53 5.936 1.323 -16.007 438 HZ3 LYS 53 2HZ LYS 53 4.469 0.611 -16.481 439 H VAL 54 HN VAL 54 2.518 4.014 -10.165 440 HA VAL 54 HA VAL 54 1.934 2.092 -8.193 441 HB VAL 54 HB VAL 54 0.872 4.917 -8.464 442 HG11 VAL 54 1HG1 VAL 54 0.411 4.787 -6.066 443 HG12 VAL 54 2HG1 VAL 54 0.929 3.101 -6.053 444 HG13 VAL 54 3HG1 VAL 54 -0.509 3.573 -6.957 445 HG21 VAL 54 3HG2 VAL 54 3.303 4.834 -8.354 446 HG22 VAL 54 1HG2 VAL 54 3.214 3.830 -6.903 447 HG23 VAL 54 2HG2 VAL 54 2.633 5.494 -6.862 448 H GLN 55 HN GLN 55 -0.080 3.695 -10.618 449 HA GLN 55 HA GLN 55 -2.567 2.740 -9.776 450 HB2 GLN 55 2HB GLN 55 -2.306 4.494 -11.466 451 HB3 GLN 55 1HB GLN 55 -1.631 3.323 -12.589 452 HG2 GLN 55 2HG GLN 55 -3.960 3.811 -13.099 453 HG3 GLN 55 1HG GLN 55 -3.742 2.122 -12.639 454 HE21 GLN 55 1HE2 GLN 55 -4.599 1.384 -10.706 455 HE22 GLN 55 2HE2 GLN 55 -5.769 2.286 -9.801 456 H ALA 56 HN ALA 56 -0.092 1.247 -11.800 457 HA ALA 56 HA ALA 56 -1.608 -1.008 -12.582 458 HB1 ALA 56 1HB ALA 56 0.460 -0.319 -13.716 459 HB2 ALA 56 2HB ALA 56 0.512 -2.006 -13.203 460 HB3 ALA 56 3HB ALA 56 1.384 -0.779 -12.284 461 H LEU 57 HN LEU 57 0.570 -0.411 -9.862 462 HA LEU 57 HA LEU 57 0.480 -2.985 -8.734 463 HB2 LEU 57 2HB LEU 57 0.839 -0.305 -7.395 464 HB3 LEU 57 1HB LEU 57 1.183 -1.854 -6.657 465 HG LEU 57 HG LEU 57 2.606 -0.780 -9.094 466 HD11 LEU 57 1HD1 LEU 57 3.516 -0.872 -6.222 467 HD12 LEU 57 2HD1 LEU 57 3.083 0.580 -7.122 468 HD13 LEU 57 3HD1 LEU 57 4.489 -0.369 -7.604 469 HD21 LEU 57 3HD2 LEU 57 4.202 -2.580 -8.633 470 HD22 LEU 57 1HD2 LEU 57 2.590 -3.208 -8.976 471 HD23 LEU 57 2HD2 LEU 57 3.176 -3.146 -7.315 472 H ALA 58 HN ALA 58 -1.400 -0.055 -8.029 473 HA ALA 58 HA ALA 58 -3.017 -1.241 -6.035 474 HB1 ALA 58 1HB ALA 58 -4.380 0.764 -6.213 475 HB2 ALA 58 2HB ALA 58 -3.581 1.188 -7.727 476 HB3 ALA 58 3HB ALA 58 -2.667 1.181 -6.217 477 H ASP 59 HN ASP 59 -3.205 -1.206 -9.501 478 HA ASP 59 HA ASP 59 -5.993 -1.846 -9.648 479 HB2 ASP 59 2HB ASP 59 -4.669 -0.726 -11.486 480 HB3 ASP 59 1HB ASP 59 -3.904 -2.281 -11.787 481 H TYR 60 HN TYR 60 -2.975 -3.660 -9.827 482 HA TYR 60 HA TYR 60 -3.983 -6.166 -10.492 483 HB2 TYR 60 2HB TYR 60 -1.581 -5.635 -10.433 484 HB3 TYR 60 1HB TYR 60 -1.643 -5.533 -8.678 485 HD1 TYR 60 1HD TYR 60 -2.117 -7.875 -11.522 486 HD2 TYR 60 2HD TYR 60 -1.381 -7.457 -7.352 487 HE1 TYR 60 1HE TYR 60 -1.659 -10.286 -11.366 488 HE2 TYR 60 2HE TYR 60 -0.910 -9.865 -7.188 489 HH TYR 60 HH TYR 60 -0.437 -11.849 -9.918 490 H PHE 61 HN PHE 61 -3.578 -4.663 -7.316 491 HA PHE 61 HA PHE 61 -4.779 -6.954 -5.993 492 HB2 PHE 61 2HB PHE 61 -3.760 -4.315 -4.923 493 HB3 PHE 61 1HB PHE 61 -4.414 -5.603 -3.923 494 HD1 PHE 61 2HD PHE 61 -3.219 -7.810 -3.848 495 HD2 PHE 61 1HD PHE 61 -1.525 -4.335 -5.631 496 HE1 PHE 61 2HE PHE 61 -0.980 -8.823 -3.695 497 HE2 PHE 61 1HE PHE 61 0.714 -5.345 -5.488 498 HZ PHE 61 HZ PHE 61 0.992 -7.592 -4.514 499 H ASN 62 HN ASN 62 -5.861 -4.347 -7.650 500 HA ASN 62 HA ASN 62 -7.712 -3.057 -7.751 501 HB2 ASN 62 2HB ASN 62 -8.699 -5.274 -8.203 502 HB3 ASN 62 1HB ASN 62 -9.022 -5.470 -6.483 503 HD21 ASN 62 1HD2 ASN 62 -11.229 -5.622 -6.760 504 HD22 ASN 62 2HD2 ASN 62 -12.213 -4.258 -7.186 505 H ILE 63 HN ILE 63 -6.499 -1.851 -6.013 506 HA ILE 63 HA ILE 63 -8.358 -1.405 -3.781 507 HB ILE 63 HB ILE 63 -6.394 -0.887 -2.304 508 HG12 ILE 63 2HG1 ILE 63 -4.838 -2.320 -4.471 509 HG13 ILE 63 1HG1 ILE 63 -4.713 -0.605 -4.093 510 HG21 ILE 63 1HG2 ILE 63 -7.634 -2.977 -2.087 511 HG22 ILE 63 2HG2 ILE 63 -5.923 -3.209 -1.730 512 HG23 ILE 63 3HG2 ILE 63 -6.579 -3.734 -3.281 513 HD11 ILE 63 3HD1 ILE 63 -3.993 -2.874 -2.255 514 HD12 ILE 63 1HD1 ILE 63 -3.853 -1.156 -1.881 515 HD13 ILE 63 2HD1 ILE 63 -2.860 -1.865 -3.157 516 H ASN 64 HN ASN 64 -7.614 0.756 -2.648 517 HA ASN 64 HA ASN 64 -7.379 2.737 -4.781 518 HB2 ASN 64 2HB ASN 64 -8.239 2.932 -1.894 519 HB3 ASN 64 1HB ASN 64 -7.936 4.357 -2.882 520 HD21 ASN 64 1HD2 ASN 64 -10.040 5.063 -2.767 521 HD22 ASN 64 2HD2 ASN 64 -11.344 4.279 -3.588 522 H LYS 65 HN LYS 65 -5.929 4.544 -4.553 523 HA LYS 65 HA LYS 65 -3.309 3.792 -3.969 524 HB2 LYS 65 2HB LYS 65 -2.744 6.190 -4.238 525 HB3 LYS 65 1HB LYS 65 -3.749 5.562 -5.531 526 HG2 LYS 65 2HG LYS 65 -4.759 7.571 -5.164 527 HG3 LYS 65 1HG LYS 65 -5.699 6.550 -4.077 528 HD2 LYS 65 2HD LYS 65 -4.342 7.276 -2.188 529 HD3 LYS 65 1HD LYS 65 -3.336 8.250 -3.264 530 HE2 LYS 65 2HE LYS 65 -5.342 9.561 -3.875 531 HE3 LYS 65 1HE LYS 65 -6.272 8.632 -2.700 532 HZ1 LYS 65 3HZ LYS 65 -3.855 9.864 -1.671 533 HZ2 LYS 65 1HZ LYS 65 -5.402 9.774 -0.985 534 HZ3 LYS 65 2HZ LYS 65 -5.059 10.948 -2.163 535 H SER 66 HN SER 66 -5.741 5.217 -1.951 536 HA SER 66 HA SER 66 -4.063 6.222 0.078 537 HB2 SER 66 2HB SER 66 -6.932 5.286 0.312 538 HB3 SER 66 1HB SER 66 -6.091 6.391 1.403 539 HG SER 66 HG SER 66 -7.296 7.602 -0.047 540 H ASP 67 HN ASP 67 -4.990 2.992 -0.703 541 HA ASP 67 HA ASP 67 -4.610 1.871 1.910 542 HB2 ASP 67 2HB ASP 67 -4.806 0.728 -0.860 543 HB3 ASP 67 1HB ASP 67 -4.224 -0.285 0.456 544 H LEU 68 HN LEU 68 -2.564 2.591 -0.823 545 HA LEU 68 HA LEU 68 -0.301 1.204 0.383 546 HB2 LEU 68 2HB LEU 68 -0.545 2.643 -2.258 547 HB3 LEU 68 1HB LEU 68 0.864 1.753 -1.719 548 HG LEU 68 HG LEU 68 -1.857 0.571 -2.283 549 HD11 LEU 68 1HD1 LEU 68 -0.759 -0.485 -4.188 550 HD12 LEU 68 2HD1 LEU 68 0.737 0.364 -3.802 551 HD13 LEU 68 3HD1 LEU 68 -0.687 1.273 -4.305 552 HD21 LEU 68 3HD2 LEU 68 -0.722 -1.588 -1.985 553 HD22 LEU 68 1HD2 LEU 68 -0.726 -0.630 -0.504 554 HD23 LEU 68 2HD2 LEU 68 0.737 -0.738 -1.480 555 H ILE 69 HN ILE 69 -1.297 4.466 -0.559 556 HA ILE 69 HA ILE 69 1.241 5.634 0.127 557 HB ILE 69 HB ILE 69 -1.391 7.004 -0.455 558 HG12 ILE 69 2HG1 ILE 69 -0.585 5.572 -2.320 559 HG13 ILE 69 1HG1 ILE 69 -0.594 7.285 -2.727 560 HG21 ILE 69 1HG2 ILE 69 0.138 8.457 0.724 561 HG22 ILE 69 2HG2 ILE 69 0.001 8.967 -0.960 562 HG23 ILE 69 3HG2 ILE 69 1.424 8.074 -0.421 563 HD11 ILE 69 3HD1 ILE 69 1.820 5.666 -1.937 564 HD12 ILE 69 1HD1 ILE 69 1.816 7.379 -2.355 565 HD13 ILE 69 2HD1 ILE 69 1.396 6.174 -3.572 566 H GLU 70 HN GLU 70 -2.028 5.723 1.540 567 HA GLU 70 HA GLU 70 -1.051 7.317 3.752 568 HB2 GLU 70 2HB GLU 70 -3.827 6.355 3.038 569 HB3 GLU 70 1HB GLU 70 -3.433 7.457 4.338 570 HG2 GLU 70 2HG GLU 70 -3.018 7.968 1.410 571 HG3 GLU 70 1HG GLU 70 -4.302 8.645 2.409 572 H ASP 71 HN ASP 71 -1.546 6.710 5.954 573 HA ASP 71 HA ASP 71 -1.181 3.890 6.471 574 HB2 ASP 71 2HB ASP 71 -0.052 5.555 7.886 575 HB3 ASP 71 1HB ASP 71 -1.610 6.212 8.372 576 H LYS 72 HN LYS 72 -2.736 2.463 7.183 577 HA LYS 72 HA LYS 72 -5.428 3.292 6.563 578 HB2 LYS 72 2HB LYS 72 -3.959 0.809 6.542 579 HB3 LYS 72 1HB LYS 72 -5.529 0.613 7.314 580 HG2 LYS 72 2HG LYS 72 -5.010 1.719 4.557 581 HG3 LYS 72 1HG LYS 72 -5.716 0.149 4.950 582 HD2 LYS 72 2HD LYS 72 -7.622 1.258 6.002 583 HD3 LYS 72 1HD LYS 72 -6.914 2.833 5.656 584 HE2 LYS 72 2HE LYS 72 -8.630 2.349 4.039 585 HE3 LYS 72 1HE LYS 72 -7.056 2.327 3.244 586 HZ1 LYS 72 3HZ LYS 72 -8.347 -0.142 4.228 587 HZ2 LYS 72 1HZ LYS 72 -7.086 0.010 3.107 588 HZ3 LYS 72 2HZ LYS 72 -8.653 0.476 2.676 589 H LYS 73 HN LYS 73 -4.283 4.244 9.101 590 HA LYS 73 HA LYS 73 -6.070 3.099 11.062 591 HB2 LYS 73 2HB LYS 73 -3.868 4.099 11.678 592 HB3 LYS 73 1HB LYS 73 -4.461 5.664 11.143 593 HG2 LYS 73 2HG LYS 73 -6.237 5.514 12.871 594 HG3 LYS 73 1HG LYS 73 -5.477 4.031 13.449 595 HD2 LYS 73 2HD LYS 73 -3.451 5.220 13.988 596 HD3 LYS 73 1HD LYS 73 -4.079 6.696 13.254 597 HE2 LYS 73 2HE LYS 73 -4.281 6.883 15.631 598 HE3 LYS 73 1HE LYS 73 -5.892 6.698 14.946 599 HZ1 LYS 73 3HZ LYS 73 -5.819 4.343 15.547 600 HZ2 LYS 73 1HZ LYS 73 -5.642 5.346 16.905 601 HZ3 LYS 73 2HZ LYS 73 -4.288 4.565 16.248 602 H LEU 74 HN LEU 74 -6.625 4.632 8.402 603 HA LEU 74 HA LEU 74 -8.113 6.928 9.143 604 HB2 LEU 74 2HB LEU 74 -7.829 5.438 6.542 605 HB3 LEU 74 1HB LEU 74 -8.722 6.929 6.721 606 HG LEU 74 HG LEU 74 -5.765 6.605 7.209 607 HD11 LEU 74 1HD1 LEU 74 -7.239 7.919 4.932 608 HD12 LEU 74 2HD1 LEU 74 -6.355 6.396 4.848 609 HD13 LEU 74 3HD1 LEU 74 -5.491 7.901 5.166 610 HD21 LEU 74 3HD2 LEU 74 -7.512 9.063 7.189 611 HD22 LEU 74 1HD2 LEU 74 -5.754 9.049 7.336 612 HD23 LEU 74 2HD2 LEU 74 -6.750 8.338 8.605 613 H ASN 75 HN ASN 75 -9.628 5.925 10.608 614 HA ASN 75 HA ASN 75 -11.831 4.475 9.484 615 HB2 ASN 75 2HB ASN 75 -11.403 4.537 11.938 616 HB3 ASN 75 1HB ASN 75 -11.800 6.253 11.945 617 HD21 ASN 75 1HD2 ASN 75 -13.507 5.883 13.402 618 HD22 ASN 75 2HD2 ASN 75 -14.996 5.163 12.887 619 H ILE 76 HN ILE 76 -12.805 5.343 7.779 620 HA ILE 76 HA ILE 76 -12.461 7.990 6.980 621 HB ILE 76 HB ILE 76 -14.666 6.161 6.071 622 HG12 ILE 76 2HG1 ILE 76 -12.504 5.036 5.884 623 HG13 ILE 76 1HG1 ILE 76 -13.114 5.460 4.289 624 HG21 ILE 76 1HG2 ILE 76 -13.338 8.496 4.705 625 HG22 ILE 76 2HG2 ILE 76 -14.975 8.460 5.359 626 HG23 ILE 76 3HG2 ILE 76 -14.554 7.439 3.985 627 HD11 ILE 76 3HD1 ILE 76 -11.616 7.410 4.261 628 HD12 ILE 76 1HD1 ILE 76 -10.745 5.885 4.422 629 HD13 ILE 76 2HD1 ILE 76 -10.980 6.918 5.831 630 H ASP 77 HN ASP 77 -13.285 9.750 7.720 631 HA ASP 77 HA ASP 77 -15.857 9.740 9.095 632 HB2 ASP 77 2HB ASP 77 -15.169 11.978 9.941 633 HB3 ASP 77 1HB ASP 77 -14.058 10.698 10.402 634 H THR 78 HN THR 78 -17.054 9.568 7.193 635 HA THR 78 HA THR 78 -16.874 11.369 5.037 636 HB THR 78 HB THR 78 -18.007 9.216 4.805 637 HG1 THR 78 1HG THR 78 -19.479 9.974 3.419 638 HG21 THR 78 3HG2 THR 78 -19.031 9.034 6.997 639 HG22 THR 78 1HG2 THR 78 -20.261 8.875 5.740 640 HG23 THR 78 2HG2 THR 78 -20.104 10.387 6.635 641 H VAL 79 HN VAL 79 -18.221 13.118 4.481 642 HA VAL 79 HA VAL 79 -19.218 14.581 6.827 643 HB VAL 79 HB VAL 79 -18.277 15.755 4.204 644 HG11 VAL 79 1HG1 VAL 79 -19.913 17.143 5.346 645 HG12 VAL 79 2HG1 VAL 79 -18.311 17.877 5.430 646 HG13 VAL 79 3HG1 VAL 79 -18.976 17.049 6.837 647 HG21 VAL 79 3HG2 VAL 79 -16.285 16.474 5.437 648 HG22 VAL 79 1HG2 VAL 79 -16.417 14.716 5.387 649 HG23 VAL 79 2HG2 VAL 79 -16.849 15.592 6.856 650 HA PRO 80 HA PRO 80 -23.095 13.751 4.501 651 HB2 PRO 80 2HB PRO 80 -24.679 13.977 6.700 652 HB3 PRO 80 1HB PRO 80 -23.860 12.476 6.256 653 HG2 PRO 80 2HG PRO 80 -23.066 14.548 8.264 654 HG3 PRO 80 1HG PRO 80 -23.030 12.780 8.407 655 HD2 PRO 80 2HD PRO 80 -20.813 14.224 7.874 656 HD3 PRO 80 1HD PRO 80 -21.064 12.599 7.205 657 H ILE 81 HN ILE 81 -25.351 15.077 5.212 658 HA ILE 81 HA ILE 81 -25.050 17.660 4.263 659 HB ILE 81 HB ILE 81 -27.192 16.822 6.203 660 HG12 ILE 81 2HG1 ILE 81 -27.157 16.541 3.191 661 HG13 ILE 81 1HG1 ILE 81 -26.974 15.209 4.328 662 HG21 ILE 81 1HG2 ILE 81 -28.554 18.495 5.018 663 HG22 ILE 81 2HG2 ILE 81 -27.145 18.925 4.050 664 HG23 ILE 81 3HG2 ILE 81 -27.137 19.209 5.790 665 HD11 ILE 81 3HD1 ILE 81 -29.227 15.631 5.170 666 HD12 ILE 81 1HD1 ILE 81 -29.224 15.305 3.436 667 HD13 ILE 81 2HD1 ILE 81 -29.400 16.959 4.022 668 H GLU 82 HN GLU 82 -24.177 19.381 5.051 669 HA GLU 82 HA GLU 82 -23.106 19.447 7.709 670 HB2 GLU 82 2HB GLU 82 -23.142 21.726 5.727 671 HB3 GLU 82 1HB GLU 82 -22.004 21.455 7.037 672 HG2 GLU 82 2HG GLU 82 -20.708 20.750 5.325 673 HG3 GLU 82 1HG GLU 82 -21.539 19.231 5.654 674 H SER 83 HN SER 83 -23.260 21.868 8.690 675 HA SER 83 HA SER 83 -25.878 22.188 9.695 676 HB2 SER 83 2HB SER 83 -23.583 24.174 9.700 677 HB3 SER 83 1HB SER 83 -24.994 24.211 10.760 678 HG SER 83 HG SER 83 -22.739 23.020 11.249 679 H GLY 84 HN GLY 84 -27.350 23.939 9.335 680 HA2 GLY 84 2HA GLY 84 -27.987 24.410 6.682 681 HA3 GLY 84 1HA GLY 84 -28.595 25.350 8.033 682 H TYR 85 HN TYR 85 -26.990 27.024 8.886 683 HA TYR 85 HA TYR 85 -25.793 28.934 8.555 684 HB2 TYR 85 2HB TYR 85 -24.262 26.923 7.537 685 HB3 TYR 85 1HB TYR 85 -24.417 27.959 6.126 686 HD1 TYR 85 2HD TYR 85 -23.424 28.004 9.705 687 HD2 TYR 85 1HD TYR 85 -23.024 29.829 5.884 688 HE1 TYR 85 2HE TYR 85 -21.613 29.416 10.576 689 HE2 TYR 85 1HE TYR 85 -21.206 31.245 6.747 690 HH TYR 85 HH TYR 85 -20.382 32.109 8.882 691 H THR 86 HN THR 86 -24.938 30.280 6.298 692 HA THR 86 HA THR 86 -27.421 30.728 4.809 693 HB THR 86 HB THR 86 -24.923 32.398 4.558 694 HG1 THR 86 1HG THR 86 -27.027 33.009 6.372 695 HG21 THR 86 3HG2 THR 86 -26.546 34.157 3.982 696 HG22 THR 86 1HG2 THR 86 -27.864 33.007 4.203 697 HG23 THR 86 2HG2 THR 86 -26.689 32.764 2.909 698 H LEU 87 HN LEU 87 -27.550 29.355 3.103 699 HA LEU 87 HA LEU 87 -25.187 29.091 1.390 700 HB2 LEU 87 2HB LEU 87 -25.261 26.755 1.303 701 HB3 LEU 87 1HB LEU 87 -25.419 27.143 3.002 702 HG LEU 87 HG LEU 87 -27.696 26.338 1.182 703 HD11 LEU 87 1HD1 LEU 87 -26.260 24.787 3.336 704 HD12 LEU 87 2HD1 LEU 87 -26.132 24.508 1.598 705 HD13 LEU 87 3HD1 LEU 87 -27.667 24.238 2.426 706 HD21 LEU 87 3HD2 LEU 87 -29.000 26.139 3.240 707 HD22 LEU 87 1HD2 LEU 87 -28.443 27.794 2.998 708 HD23 LEU 87 2HD2 LEU 87 -27.636 26.756 4.172 709 H GLU 88 HN GLU 88 -25.934 27.655 -0.617 710 HA GLU 88 HA GLU 88 -28.538 28.603 -1.551 711 HB2 GLU 88 2HB GLU 88 -26.790 30.256 -2.201 712 HB3 GLU 88 1HB GLU 88 -25.937 28.976 -3.051 713 HG2 GLU 88 2HG GLU 88 -27.860 28.703 -4.542 714 HG3 GLU 88 1HG GLU 88 -28.680 30.020 -3.700 715 H HIS 89 HN HIS 89 -29.426 27.320 -3.217 716 HA HIS 89 HA HIS 89 -27.899 24.912 -3.943 717 HB2 HIS 89 2HB HIS 89 -30.771 25.069 -3.034 718 HB3 HIS 89 1HB HIS 89 -30.125 23.688 -3.914 719 HD1 HIS 89 1HD HIS 89 -30.342 25.181 -0.564 720 HD2 HIS 89 2HD HIS 89 -28.133 22.212 -2.460 721 HE1 HIS 89 1HE HIS 89 -29.318 23.811 1.285 722 HE2 HIS 89 2HE HIS 89 -28.075 21.952 0.116 723 H HIS 90 HN HIS 90 -29.138 23.731 -5.769 724 HA HIS 90 HA HIS 90 -29.879 23.654 -7.897 725 HB2 HIS 90 2HB HIS 90 -31.105 26.300 -7.161 726 HB3 HIS 90 1HB HIS 90 -31.225 25.647 -8.791 727 HD1 HIS 90 1HD HIS 90 -33.362 26.004 -6.182 728 HD2 HIS 90 2HD HIS 90 -32.077 22.615 -8.228 729 HE1 HIS 90 1HE HIS 90 -35.144 24.265 -5.808 730 HE2 HIS 90 2HE HIS 90 -34.456 22.319 -7.260 731 H HIS 91 HN HIS 91 -28.985 27.079 -7.496 732 HA HIS 91 HA HIS 91 -27.742 28.466 -8.802 733 HB2 HIS 91 2HB HIS 91 -25.972 26.907 -7.784 734 HB3 HIS 91 1HB HIS 91 -25.947 26.102 -9.348 735 HD1 HIS 91 1HD HIS 91 -24.918 27.427 -11.355 736 HD2 HIS 91 2HD HIS 91 -24.723 29.383 -7.683 737 HE1 HIS 91 1HE HIS 91 -23.300 29.324 -11.676 738 HE2 HIS 91 2HE HIS 91 -23.157 30.470 -9.432 739 H HIS 92 HN HIS 92 -29.791 28.008 -10.153 740 HA HIS 92 HA HIS 92 -30.783 27.843 -12.170 741 HB2 HIS 92 2HB HIS 92 -28.880 29.164 -13.014 742 HB3 HIS 92 1HB HIS 92 -27.968 27.681 -13.273 743 HD1 HIS 92 1HD HIS 92 -28.256 26.549 -15.481 744 HD2 HIS 92 2HD HIS 92 -31.224 29.366 -14.734 745 HE1 HIS 92 1HE HIS 92 -29.591 26.709 -17.607 746 HE2 HIS 92 2HE HIS 92 -31.215 28.596 -17.201 747 H HIS 93 HN HIS 93 -31.569 25.817 -11.359 748 HA HIS 93 HA HIS 93 -30.886 23.658 -13.173 749 HB2 HIS 93 2HB HIS 93 -29.440 23.396 -11.090 750 HB3 HIS 93 1HB HIS 93 -30.930 23.107 -10.201 751 HD1 HIS 93 1HD HIS 93 -32.248 20.877 -10.813 752 HD2 HIS 93 2HD HIS 93 -28.461 21.257 -12.494 753 HE1 HIS 93 1HE HIS 93 -31.633 18.580 -11.628 754 HE2 HIS 93 2HE HIS 93 -29.288 18.804 -12.519 755 H HIS 94 HN HIS 94 -32.838 23.459 -14.062 756 HA HIS 94 HA HIS 94 -35.216 23.538 -12.363 757 HB2 HIS 94 2HB HIS 94 -34.787 23.650 -15.340 758 HB3 HIS 94 1HB HIS 94 -36.375 23.279 -14.674 759 HD1 HIS 94 1HD HIS 94 -37.017 25.577 -15.950 760 HD2 HIS 94 2HD HIS 94 -34.614 25.921 -12.568 761 HE1 HIS 94 1HE HIS 94 -37.166 27.987 -15.250 762 HE2 HIS 94 2HE HIS 94 -35.904 28.106 -13.075 Start of MODEL 7 1 H1 MET 1 H1 MET 1 16.699 12.279 11.199 2 H2 MET 1 H2 MET 1 15.539 13.275 10.468 3 H3 MET 1 H3 MET 1 16.856 13.964 11.280 4 HA MET 1 HA MET 1 17.176 14.090 8.905 5 HB2 MET 1 2HB MET 1 19.092 13.701 10.521 6 HB3 MET 1 1HB MET 1 19.005 11.998 10.099 7 HG2 MET 1 2HG MET 1 20.659 12.672 8.700 8 HG3 MET 1 1HG MET 1 19.263 12.915 7.655 9 HE1 MET 1 2HE MET 1 17.941 15.572 8.750 10 HE2 MET 1 3HE MET 1 18.263 15.323 7.034 11 HE3 MET 1 1HE MET 1 18.782 16.814 7.819 12 H VAL 2 HN VAL 2 17.391 13.037 6.890 13 HA VAL 2 HA VAL 2 17.082 11.470 5.278 14 HB VAL 2 HB VAL 2 16.748 9.471 7.523 15 HG11 VAL 2 1HG1 VAL 2 15.624 8.712 5.503 16 HG12 VAL 2 2HG1 VAL 2 17.086 7.767 5.789 17 HG13 VAL 2 3HG1 VAL 2 17.080 9.030 4.560 18 HG21 VAL 2 3HG2 VAL 2 19.017 8.759 6.903 19 HG22 VAL 2 1HG2 VAL 2 18.980 10.428 7.474 20 HG23 VAL 2 2HG2 VAL 2 19.105 10.088 5.746 21 H LYS 3 HN LYS 3 15.334 11.630 4.123 22 HA LYS 3 HA LYS 3 12.734 11.784 5.451 23 HB2 LYS 3 2HB LYS 3 13.804 13.449 3.675 24 HB3 LYS 3 1HB LYS 3 13.130 12.306 2.531 25 HG2 LYS 3 2HG LYS 3 11.423 13.514 4.673 26 HG3 LYS 3 1HG LYS 3 11.770 14.390 3.186 27 HD2 LYS 3 2HD LYS 3 10.922 12.327 1.958 28 HD3 LYS 3 1HD LYS 3 10.299 11.790 3.522 29 HE2 LYS 3 2HE LYS 3 8.991 13.842 3.711 30 HE3 LYS 3 1HE LYS 3 9.640 14.410 2.175 31 HZ1 LYS 3 3HZ LYS 3 7.536 13.532 1.692 32 HZ2 LYS 3 1HZ LYS 3 7.785 12.150 2.645 33 HZ3 LYS 3 2HZ LYS 3 8.626 12.335 1.188 34 H ASP 4 HN ASP 4 12.783 9.426 5.806 35 HA ASP 4 HA ASP 4 12.084 7.909 3.372 36 HB2 ASP 4 2HB ASP 4 13.261 6.002 4.192 37 HB3 ASP 4 1HB ASP 4 14.355 7.371 4.360 38 H LYS 5 HN LYS 5 10.740 9.200 5.982 39 HA LYS 5 HA LYS 5 9.494 7.142 7.390 40 HB2 LYS 5 2HB LYS 5 9.481 9.519 8.073 41 HB3 LYS 5 1HB LYS 5 8.357 9.874 6.769 42 HG2 LYS 5 2HG LYS 5 6.670 8.472 7.789 43 HG3 LYS 5 1HG LYS 5 7.802 7.999 9.061 44 HD2 LYS 5 2HD LYS 5 7.958 10.366 9.749 45 HD3 LYS 5 1HD LYS 5 6.753 10.775 8.525 46 HE2 LYS 5 2HE LYS 5 5.098 9.431 9.628 47 HE3 LYS 5 1HE LYS 5 6.296 8.815 10.767 48 HZ1 LYS 5 3HZ LYS 5 5.317 11.615 10.563 49 HZ2 LYS 5 1HZ LYS 5 6.588 11.111 11.572 50 HZ3 LYS 5 2HZ LYS 5 5.019 10.517 11.828 51 H GLN 6 HN GLN 6 8.289 8.947 4.570 52 HA GLN 6 HA GLN 6 5.902 7.470 4.281 53 HB2 GLN 6 2HB GLN 6 6.304 9.687 3.252 54 HB3 GLN 6 1HB GLN 6 7.458 8.950 2.154 55 HG2 GLN 6 2HG GLN 6 5.345 9.306 1.045 56 HG3 GLN 6 1HG GLN 6 5.666 7.578 1.201 57 HE21 GLN 6 1HE2 GLN 6 4.378 6.332 2.542 58 HE22 GLN 6 2HE2 GLN 6 2.872 6.906 3.178 59 H LYS 7 HN LYS 7 9.168 6.960 3.142 60 HA LYS 7 HA LYS 7 8.649 4.950 1.237 61 HB2 LYS 7 2HB LYS 7 11.085 5.405 2.958 62 HB3 LYS 7 1HB LYS 7 11.017 4.286 1.606 63 HG2 LYS 7 2HG LYS 7 10.616 6.144 0.076 64 HG3 LYS 7 1HG LYS 7 10.660 7.274 1.435 65 HD2 LYS 7 2HD LYS 7 12.961 6.693 1.895 66 HD3 LYS 7 1HD LYS 7 12.929 5.446 0.646 67 HE2 LYS 7 2HE LYS 7 12.542 7.196 -1.048 68 HE3 LYS 7 1HE LYS 7 12.654 8.417 0.221 69 HZ1 LYS 7 3HZ LYS 7 14.740 8.060 -1.058 70 HZ2 LYS 7 1HZ LYS 7 14.826 6.496 -0.403 71 HZ3 LYS 7 2HZ LYS 7 14.913 7.848 0.618 72 H ALA 8 HN ALA 8 9.486 4.800 4.678 73 HA ALA 8 HA ALA 8 9.485 2.016 4.959 74 HB1 ALA 8 1HB ALA 8 8.742 4.077 7.029 75 HB2 ALA 8 2HB ALA 8 10.382 3.563 6.635 76 HB3 ALA 8 3HB ALA 8 9.244 2.416 7.343 77 H ILE 9 HN ILE 9 6.878 4.361 5.530 78 HA ILE 9 HA ILE 9 4.877 2.575 6.275 79 HB ILE 9 HB ILE 9 4.604 5.155 4.732 80 HG12 ILE 9 2HG1 ILE 9 4.364 4.596 7.696 81 HG13 ILE 9 1HG1 ILE 9 5.747 5.365 6.924 82 HG21 ILE 9 1HG2 ILE 9 2.523 3.609 6.284 83 HG22 ILE 9 2HG2 ILE 9 2.585 3.804 4.530 84 HG23 ILE 9 3HG2 ILE 9 2.301 5.204 5.562 85 HD11 ILE 9 3HD1 ILE 9 2.938 6.452 6.987 86 HD12 ILE 9 1HD1 ILE 9 4.339 7.243 6.267 87 HD13 ILE 9 2HD1 ILE 9 4.273 6.980 8.009 88 H PHE 10 HN PHE 10 5.638 3.836 3.044 89 HA PHE 10 HA PHE 10 3.651 2.488 1.628 90 HB2 PHE 10 2HB PHE 10 4.892 4.326 0.649 91 HB3 PHE 10 1HB PHE 10 6.390 3.408 0.733 92 HD1 PHE 10 1HD PHE 10 3.052 3.506 -0.875 93 HD2 PHE 10 2HD PHE 10 7.033 2.002 -1.027 94 HE1 PHE 10 1HE PHE 10 2.643 2.656 -3.147 95 HE2 PHE 10 2HE PHE 10 6.628 1.148 -3.299 96 HZ PHE 10 HZ PHE 10 4.429 1.473 -4.362 97 H SER 11 HN SER 11 7.075 1.558 2.076 98 HA SER 11 HA SER 11 6.849 -0.813 0.562 99 HB2 SER 11 2HB SER 11 9.037 -1.420 1.663 100 HB3 SER 11 1HB SER 11 9.020 0.145 0.849 101 HG SER 11 HG SER 11 8.852 1.162 2.825 102 H GLU 12 HN GLU 12 6.607 -0.210 4.053 103 HA GLU 12 HA GLU 12 6.534 -2.910 4.844 104 HB2 GLU 12 2HB GLU 12 6.901 -0.945 6.357 105 HB3 GLU 12 1HB GLU 12 5.183 -0.590 6.229 106 HG2 GLU 12 2HG GLU 12 4.705 -2.837 7.153 107 HG3 GLU 12 1HG GLU 12 6.437 -3.063 7.393 108 H ASN 13 HN ASN 13 3.915 -0.619 4.117 109 HA ASN 13 HA ASN 13 1.849 -2.498 4.675 110 HB2 ASN 13 2HB ASN 13 1.846 0.136 3.209 111 HB3 ASN 13 1HB ASN 13 0.389 -0.829 3.437 112 HD21 ASN 13 1HD2 ASN 13 1.030 1.826 4.432 113 HD22 ASN 13 2HD2 ASN 13 0.918 1.739 6.153 114 H LEU 14 HN LEU 14 3.413 -1.406 1.675 115 HA LEU 14 HA LEU 14 1.872 -2.919 -0.116 116 HB2 LEU 14 2HB LEU 14 3.451 -1.212 -0.868 117 HB3 LEU 14 1HB LEU 14 4.795 -2.163 -0.267 118 HG LEU 14 HG LEU 14 4.256 -3.918 -1.936 119 HD11 LEU 14 1HD1 LEU 14 2.736 -3.384 -3.772 120 HD12 LEU 14 2HD1 LEU 14 2.276 -1.891 -2.956 121 HD13 LEU 14 3HD1 LEU 14 1.887 -3.449 -2.229 122 HD21 LEU 14 3HD2 LEU 14 4.734 -1.159 -3.052 123 HD22 LEU 14 1HD2 LEU 14 5.089 -2.679 -3.875 124 HD23 LEU 14 2HD2 LEU 14 5.961 -2.247 -2.404 125 H ASN 15 HN ASN 15 4.805 -3.734 1.681 126 HA ASN 15 HA ASN 15 5.215 -6.314 0.670 127 HB2 ASN 15 2HB ASN 15 6.750 -4.893 2.160 128 HB3 ASN 15 1HB ASN 15 5.815 -5.510 3.516 129 HD21 ASN 15 1HD2 ASN 15 8.124 -6.233 1.059 130 HD22 ASN 15 2HD2 ASN 15 8.581 -7.790 1.647 131 H SER 16 HN SER 16 3.070 -5.113 3.158 132 HA SER 16 HA SER 16 2.360 -7.588 4.317 133 HB2 SER 16 2HB SER 16 0.747 -5.027 4.149 134 HB3 SER 16 1HB SER 16 0.433 -6.373 5.245 135 HG SER 16 HG SER 16 2.822 -4.825 5.185 136 H TYR 17 HN TYR 17 1.116 -5.795 1.544 137 HA TYR 17 HA TYR 17 -1.104 -7.573 1.148 138 HB2 TYR 17 2HB TYR 17 0.105 -5.500 -0.695 139 HB3 TYR 17 1HB TYR 17 -1.401 -6.360 -0.996 140 HD1 TYR 17 2HD TYR 17 -3.116 -6.215 1.075 141 HD2 TYR 17 1HD TYR 17 -0.067 -3.383 0.196 142 HE1 TYR 17 2HE TYR 17 -4.344 -4.508 2.348 143 HE2 TYR 17 1HE TYR 17 -1.284 -1.666 1.469 144 HH TYR 17 HH TYR 17 -3.469 -1.166 2.278 145 H ILE 18 HN ILE 18 2.166 -7.282 -0.071 146 HA ILE 18 HA ILE 18 1.990 -9.198 -2.137 147 HB ILE 18 HB ILE 18 4.390 -8.418 -0.468 148 HG12 ILE 18 2HG1 ILE 18 3.560 -7.461 -3.217 149 HG13 ILE 18 1HG1 ILE 18 3.254 -6.567 -1.730 150 HG21 ILE 18 1HG2 ILE 18 5.738 -9.303 -2.305 151 HG22 ILE 18 2HG2 ILE 18 4.272 -9.828 -3.132 152 HG23 ILE 18 3HG2 ILE 18 4.725 -10.560 -1.594 153 HD11 ILE 18 3HD1 ILE 18 5.952 -7.302 -2.838 154 HD12 ILE 18 1HD1 ILE 18 5.666 -6.432 -1.333 155 HD13 ILE 18 2HD1 ILE 18 5.206 -5.703 -2.872 156 H ALA 19 HN ALA 19 2.938 -9.464 1.273 157 HA ALA 19 HA ALA 19 3.424 -12.285 1.141 158 HB1 ALA 19 1HB ALA 19 3.072 -10.481 3.539 159 HB2 ALA 19 2HB ALA 19 4.601 -10.885 2.751 160 HB3 ALA 19 3HB ALA 19 3.673 -12.140 3.575 161 H LYS 20 HN LYS 20 0.623 -10.527 1.100 162 HA LYS 20 HA LYS 20 -0.986 -12.349 2.685 163 HB2 LYS 20 2HB LYS 20 -1.298 -9.764 2.251 164 HB3 LYS 20 1HB LYS 20 -2.141 -10.317 0.815 165 HG2 LYS 20 2HG LYS 20 -3.713 -11.556 2.160 166 HG3 LYS 20 1HG LYS 20 -2.830 -11.132 3.629 167 HD2 LYS 20 2HD LYS 20 -3.271 -8.728 3.101 168 HD3 LYS 20 1HD LYS 20 -4.311 -9.266 1.780 169 HE2 LYS 20 2HE LYS 20 -5.657 -8.767 3.719 170 HE3 LYS 20 1HE LYS 20 -5.692 -10.501 3.409 171 HZ1 LYS 20 3HZ LYS 20 -3.988 -9.151 5.443 172 HZ2 LYS 20 1HZ LYS 20 -4.062 -10.821 5.161 173 HZ3 LYS 20 2HZ LYS 20 -5.420 -10.005 5.765 174 H SER 21 HN SER 21 0.069 -11.915 -0.545 175 HA SER 21 HA SER 21 -1.873 -13.874 -1.554 176 HB2 SER 21 2HB SER 21 -1.606 -11.662 -2.746 177 HB3 SER 21 1HB SER 21 0.038 -12.151 -3.154 178 HG SER 21 HG SER 21 -2.405 -13.344 -3.960 179 H GLU 22 HN GLU 22 -0.756 -15.238 -3.432 180 HA GLU 22 HA GLU 22 1.546 -16.547 -2.165 181 HB2 GLU 22 2HB GLU 22 0.427 -17.846 -4.536 182 HB3 GLU 22 1HB GLU 22 0.784 -18.517 -2.956 183 HG2 GLU 22 2HG GLU 22 -1.504 -18.803 -3.200 184 HG3 GLU 22 1HG GLU 22 -1.365 -17.370 -2.184 185 H LYS 23 HN LYS 23 1.035 -14.225 -4.365 186 HA LYS 23 HA LYS 23 2.714 -15.113 -6.506 187 HB2 LYS 23 2HB LYS 23 1.182 -12.653 -5.839 188 HB3 LYS 23 1HB LYS 23 2.504 -12.499 -6.975 189 HG2 LYS 23 2HG LYS 23 0.302 -12.840 -8.044 190 HG3 LYS 23 1HG LYS 23 1.488 -14.072 -8.470 191 HD2 LYS 23 2HD LYS 23 0.497 -15.576 -6.799 192 HD3 LYS 23 1HD LYS 23 -0.706 -14.345 -6.420 193 HE2 LYS 23 2HE LYS 23 -1.682 -14.507 -8.569 194 HE3 LYS 23 1HE LYS 23 -0.329 -15.449 -9.191 195 HZ1 LYS 23 3HZ LYS 23 -2.244 -16.365 -7.108 196 HZ2 LYS 23 1HZ LYS 23 -0.963 -17.269 -7.756 197 HZ3 LYS 23 2HZ LYS 23 -2.274 -16.827 -8.742 198 H THR 24 HN THR 24 4.815 -14.876 -6.717 199 HA THR 24 HA THR 24 6.386 -13.776 -4.578 200 HB THR 24 HB THR 24 8.323 -14.463 -5.966 201 HG1 THR 24 1HG THR 24 7.693 -15.759 -7.901 202 HG21 THR 24 3HG2 THR 24 6.173 -16.563 -5.668 203 HG22 THR 24 1HG2 THR 24 7.333 -16.076 -4.431 204 HG23 THR 24 2HG2 THR 24 7.892 -16.888 -5.895 205 H GLN 25 HN GLN 25 8.221 -12.285 -5.091 206 HA GLN 25 HA GLN 25 7.384 -9.864 -6.194 207 HB2 GLN 25 2HB GLN 25 10.138 -10.983 -5.680 208 HB3 GLN 25 1HB GLN 25 9.886 -9.359 -6.299 209 HG2 GLN 25 2HG GLN 25 8.578 -8.798 -4.318 210 HG3 GLN 25 1HG GLN 25 8.809 -10.431 -3.699 211 HE21 GLN 25 1HE2 GLN 25 11.316 -8.701 -5.384 212 HE22 GLN 25 2HE2 GLN 25 12.344 -8.458 -4.016 213 H LEU 26 HN LEU 26 8.942 -12.620 -7.665 214 HA LEU 26 HA LEU 26 9.497 -11.408 -10.166 215 HB2 LEU 26 2HB LEU 26 9.493 -14.128 -8.996 216 HB3 LEU 26 1HB LEU 26 9.417 -14.006 -10.733 217 HG LEU 26 HG LEU 26 11.557 -12.676 -9.090 218 HD11 LEU 26 1HD1 LEU 26 13.020 -14.510 -9.775 219 HD12 LEU 26 2HD1 LEU 26 11.646 -15.331 -10.517 220 HD13 LEU 26 3HD1 LEU 26 11.691 -15.088 -8.769 221 HD21 LEU 26 3HD2 LEU 26 11.327 -13.299 -12.030 222 HD22 LEU 26 1HD2 LEU 26 12.731 -12.578 -11.242 223 HD23 LEU 26 2HD2 LEU 26 11.199 -11.704 -11.289 224 H GLU 27 HN GLU 27 6.845 -13.434 -8.937 225 HA GLU 27 HA GLU 27 5.450 -13.641 -11.365 226 HB2 GLU 27 2HB GLU 27 4.694 -13.994 -8.484 227 HB3 GLU 27 1HB GLU 27 3.495 -14.127 -9.755 228 HG2 GLU 27 2HG GLU 27 6.014 -15.756 -9.621 229 HG3 GLU 27 1HG GLU 27 4.439 -16.295 -9.040 230 H ILE 28 HN ILE 28 5.195 -11.308 -8.700 231 HA ILE 28 HA ILE 28 2.986 -9.922 -9.859 232 HB ILE 28 HB ILE 28 5.011 -8.861 -7.874 233 HG12 ILE 28 2HG1 ILE 28 2.305 -10.137 -7.400 234 HG13 ILE 28 1HG1 ILE 28 3.853 -10.922 -7.107 235 HG21 ILE 28 1HG2 ILE 28 3.744 -7.090 -8.957 236 HG22 ILE 28 2HG2 ILE 28 3.223 -7.273 -7.282 237 HG23 ILE 28 3HG2 ILE 28 2.234 -7.923 -8.589 238 HD11 ILE 28 3HD1 ILE 28 2.811 -8.472 -5.707 239 HD12 ILE 28 1HD1 ILE 28 4.375 -9.233 -5.415 240 HD13 ILE 28 2HD1 ILE 28 2.886 -10.106 -5.042 241 H ALA 29 HN ALA 29 6.501 -9.521 -9.974 242 HA ALA 29 HA ALA 29 6.623 -7.089 -11.334 243 HB1 ALA 29 1HB ALA 29 8.576 -8.176 -10.329 244 HB2 ALA 29 2HB ALA 29 8.863 -7.725 -12.010 245 HB3 ALA 29 3HB ALA 29 8.535 -9.408 -11.591 246 H LYS 30 HN LYS 30 6.423 -10.401 -12.638 247 HA LYS 30 HA LYS 30 6.578 -9.569 -15.344 248 HB2 LYS 30 2HB LYS 30 6.018 -11.822 -15.952 249 HB3 LYS 30 1HB LYS 30 7.141 -11.861 -14.604 250 HG2 LYS 30 2HG LYS 30 5.670 -13.455 -13.955 251 HG3 LYS 30 1HG LYS 30 4.930 -12.053 -13.190 252 HD2 LYS 30 2HD LYS 30 3.442 -11.832 -15.172 253 HD3 LYS 30 1HD LYS 30 4.129 -13.324 -15.812 254 HE2 LYS 30 2HE LYS 30 2.746 -13.114 -13.142 255 HE3 LYS 30 1HE LYS 30 1.937 -13.592 -14.633 256 HZ1 LYS 30 3HZ LYS 30 4.203 -15.018 -13.342 257 HZ2 LYS 30 1HZ LYS 30 3.469 -15.463 -14.805 258 HZ3 LYS 30 2HZ LYS 30 2.582 -15.516 -13.365 259 H SER 31 HN SER 31 3.976 -9.785 -13.075 260 HA SER 31 HA SER 31 1.861 -9.719 -15.002 261 HB2 SER 31 2HB SER 31 1.832 -9.010 -12.058 262 HB3 SER 31 1HB SER 31 0.407 -9.271 -13.066 263 HG SER 31 HG SER 31 2.340 -11.142 -12.182 264 H ILE 32 HN ILE 32 3.497 -7.314 -12.973 265 HA ILE 32 HA ILE 32 1.947 -5.105 -13.894 266 HB ILE 32 HB ILE 32 4.688 -5.121 -12.613 267 HG12 ILE 32 2HG1 ILE 32 3.018 -6.165 -11.174 268 HG13 ILE 32 1HG1 ILE 32 3.467 -4.590 -10.530 269 HG21 ILE 32 1HG2 ILE 32 2.712 -2.871 -12.969 270 HG22 ILE 32 2HG2 ILE 32 4.280 -3.030 -13.768 271 HG23 ILE 32 3HG2 ILE 32 4.199 -2.783 -12.020 272 HD11 ILE 32 3HD1 ILE 32 0.972 -5.206 -12.094 273 HD12 ILE 32 1HD1 ILE 32 1.417 -3.632 -11.440 274 HD13 ILE 32 2HD1 ILE 32 1.072 -4.971 -10.348 275 H GLY 33 HN GLY 33 5.119 -6.429 -14.750 276 HA2 GLY 33 2HA GLY 33 5.809 -6.414 -17.073 277 HA3 GLY 33 1HA GLY 33 4.991 -4.863 -17.248 278 H VAL 34 HN VAL 34 6.979 -5.708 -14.501 279 HA VAL 34 HA VAL 34 8.996 -3.767 -15.426 280 HB VAL 34 HB VAL 34 9.357 -3.119 -13.063 281 HG11 VAL 34 1HG1 VAL 34 6.534 -2.718 -14.037 282 HG12 VAL 34 2HG1 VAL 34 7.939 -1.750 -14.480 283 HG13 VAL 34 3HG1 VAL 34 7.351 -1.741 -12.818 284 HG21 VAL 34 3HG2 VAL 34 7.693 -3.704 -11.364 285 HG22 VAL 34 1HG2 VAL 34 8.520 -5.133 -11.980 286 HG23 VAL 34 2HG2 VAL 34 6.885 -4.761 -12.521 287 H SER 35 HN SER 35 11.129 -4.072 -14.392 288 HA SER 35 HA SER 35 11.948 -6.791 -14.513 289 HB2 SER 35 2HB SER 35 13.496 -4.393 -13.483 290 HB3 SER 35 1HB SER 35 14.172 -5.919 -14.061 291 HG SER 35 HG SER 35 14.262 -4.877 -15.894 292 HA PRO 36 HA PRO 36 11.284 -8.144 -10.357 293 HB2 PRO 36 2HB PRO 36 13.624 -9.590 -9.969 294 HB3 PRO 36 1HB PRO 36 12.168 -10.195 -10.763 295 HG2 PRO 36 2HG PRO 36 14.671 -9.099 -11.975 296 HG3 PRO 36 1HG PRO 36 13.674 -10.468 -12.504 297 HD2 PRO 36 2HD PRO 36 13.552 -8.092 -13.737 298 HD3 PRO 36 1HD PRO 36 12.102 -9.090 -13.509 299 H GLN 37 HN GLN 37 14.432 -6.745 -11.156 300 HA GLN 37 HA GLN 37 15.228 -6.120 -8.515 301 HB2 GLN 37 2HB GLN 37 16.704 -6.135 -10.541 302 HB3 GLN 37 1HB GLN 37 15.947 -4.635 -11.040 303 HG2 GLN 37 2HG GLN 37 18.092 -4.237 -9.950 304 HG3 GLN 37 1HG GLN 37 16.756 -3.517 -9.055 305 HE21 GLN 37 1HE2 GLN 37 19.156 -6.009 -9.108 306 HE22 GLN 37 2HE2 GLN 37 19.011 -6.475 -7.441 307 H THR 38 HN THR 38 13.224 -4.501 -10.873 308 HA THR 38 HA THR 38 13.220 -1.942 -9.626 309 HB THR 38 HB THR 38 11.113 -3.099 -11.468 310 HG1 THR 38 1HG THR 38 13.385 -1.529 -12.205 311 HG21 THR 38 3HG2 THR 38 11.898 -0.246 -10.855 312 HG22 THR 38 1HG2 THR 38 10.407 -1.050 -10.363 313 HG23 THR 38 2HG2 THR 38 10.719 -0.741 -12.070 314 H PHE 39 HN PHE 39 11.169 -4.787 -9.505 315 HA PHE 39 HA PHE 39 9.244 -3.692 -7.721 316 HB2 PHE 39 2HB PHE 39 9.015 -5.722 -9.261 317 HB3 PHE 39 1HB PHE 39 9.916 -6.615 -8.039 318 HD1 PHE 39 1HD PHE 39 6.826 -4.645 -8.579 319 HD2 PHE 39 2HD PHE 39 8.872 -7.451 -6.122 320 HE1 PHE 39 1HE PHE 39 4.758 -5.033 -7.305 321 HE2 PHE 39 2HE PHE 39 6.809 -7.845 -4.845 322 HZ PHE 39 HZ PHE 39 4.749 -6.637 -5.434 323 H ASN 40 HN ASN 40 12.267 -5.421 -7.382 324 HA ASN 40 HA ASN 40 12.080 -5.989 -4.625 325 HB2 ASN 40 2HB ASN 40 13.664 -7.166 -6.046 326 HB3 ASN 40 1HB ASN 40 14.514 -5.665 -6.395 327 HD21 ASN 40 1HD2 ASN 40 15.985 -4.895 -4.975 328 HD22 ASN 40 2HD2 ASN 40 16.451 -5.715 -3.523 329 H THR 41 HN THR 41 13.427 -3.219 -6.402 330 HA THR 41 HA THR 41 14.468 -1.905 -4.133 331 HB THR 41 HB THR 41 14.197 0.197 -5.620 332 HG1 THR 41 1HG THR 41 12.643 -1.216 -7.018 333 HG21 THR 41 3HG2 THR 41 16.299 -1.024 -5.289 334 HG22 THR 41 1HG2 THR 41 16.145 -0.438 -6.946 335 HG23 THR 41 2HG2 THR 41 15.851 -2.139 -6.581 336 H TRP 42 HN TRP 42 11.226 -2.173 -5.358 337 HA TRP 42 HA TRP 42 10.165 -0.050 -3.735 338 HB2 TRP 42 2HB TRP 42 8.799 -2.395 -5.083 339 HB3 TRP 42 1HB TRP 42 7.958 -1.073 -4.282 340 HD1 TRP 42 1HD TRP 42 10.263 1.031 -5.670 341 HE1 TRP 42 1HE TRP 42 9.740 1.782 -8.075 342 HE3 TRP 42 3HE TRP 42 6.924 -2.621 -6.950 343 HZ2 TRP 42 2HZ TRP 42 8.107 0.942 -10.230 344 HZ3 TRP 42 3HZ TRP 42 5.926 -2.575 -9.198 345 HH2 TRP 42 2HH TRP 42 6.507 -0.831 -10.803 346 H CYS 43 HN CYS 43 10.487 -3.541 -3.500 347 HA CYS 43 HA CYS 43 9.127 -3.921 -1.068 348 HB2 CYS 43 2HB CYS 43 9.694 -5.736 -2.643 349 HB3 CYS 43 1HB CYS 43 11.398 -5.518 -2.272 350 HG CYS 43 HG CYS 43 10.378 -7.867 -1.077 351 H LYS 44 HN LYS 44 12.420 -3.004 -1.808 352 HA LYS 44 HA LYS 44 13.286 -3.136 0.935 353 HB2 LYS 44 2HB LYS 44 14.547 -2.219 -1.640 354 HB3 LYS 44 1HB LYS 44 15.338 -2.015 -0.091 355 HG2 LYS 44 2HG LYS 44 14.454 -4.646 -1.243 356 HG3 LYS 44 1HG LYS 44 16.101 -4.015 -1.284 357 HD2 LYS 44 2HD LYS 44 16.166 -3.998 1.153 358 HD3 LYS 44 1HD LYS 44 14.508 -4.598 1.212 359 HE2 LYS 44 2HE LYS 44 15.202 -6.640 0.080 360 HE3 LYS 44 1HE LYS 44 16.856 -6.037 -0.013 361 HZ1 LYS 44 3HZ LYS 44 16.484 -7.600 1.831 362 HZ2 LYS 44 1HZ LYS 44 15.383 -6.509 2.523 363 HZ3 LYS 44 2HZ LYS 44 17.017 -6.079 2.359 364 H GLY 45 HN GLY 45 11.382 -1.012 -0.733 365 HA2 GLY 45 2HA GLY 45 10.721 1.162 -0.372 366 HA3 GLY 45 1HA GLY 45 11.473 1.020 1.210 367 H ILE 46 HN ILE 46 13.123 0.717 -1.885 368 HA ILE 46 HA ILE 46 15.024 2.740 -1.085 369 HB ILE 46 HB ILE 46 14.840 1.138 -3.640 370 HG12 ILE 46 2HG1 ILE 46 15.237 -0.274 -1.702 371 HG13 ILE 46 1HG1 ILE 46 16.700 -0.155 -2.664 372 HG21 ILE 46 1HG2 ILE 46 17.178 1.829 -4.001 373 HG22 ILE 46 2HG2 ILE 46 17.059 2.900 -2.605 374 HG23 ILE 46 3HG2 ILE 46 16.055 3.188 -4.025 375 HD11 ILE 46 3HD1 ILE 46 16.134 1.356 -0.131 376 HD12 ILE 46 1HD1 ILE 46 17.608 1.468 -1.092 377 HD13 ILE 46 2HD1 ILE 46 17.188 -0.049 -0.293 378 H ALA 47 HN ALA 47 12.522 2.312 -3.522 379 HA ALA 47 HA ALA 47 12.351 5.199 -3.850 380 HB1 ALA 47 1HB ALA 47 12.717 3.326 -6.189 381 HB2 ALA 47 2HB ALA 47 13.889 4.514 -5.615 382 HB3 ALA 47 3HB ALA 47 12.353 5.050 -6.299 383 H ILE 48 HN ILE 48 10.349 5.882 -4.736 384 HA ILE 48 HA ILE 48 8.224 3.862 -4.543 385 HB ILE 48 HB ILE 48 8.105 6.862 -4.148 386 HG12 ILE 48 2HG1 ILE 48 7.562 4.613 -2.201 387 HG13 ILE 48 1HG1 ILE 48 9.086 5.486 -2.299 388 HG21 ILE 48 1HG2 ILE 48 5.741 6.538 -3.561 389 HG22 ILE 48 2HG2 ILE 48 5.870 4.840 -4.019 390 HG23 ILE 48 3HG2 ILE 48 6.067 6.098 -5.240 391 HD11 ILE 48 3HD1 ILE 48 6.404 6.634 -1.575 392 HD12 ILE 48 1HD1 ILE 48 7.891 7.568 -1.747 393 HD13 ILE 48 2HD1 ILE 48 7.759 6.344 -0.486 394 HA PRO 49 HA PRO 49 7.713 4.377 -8.946 395 HB2 PRO 49 2HB PRO 49 5.283 3.169 -9.152 396 HB3 PRO 49 1HB PRO 49 6.788 2.271 -8.945 397 HG2 PRO 49 2HG PRO 49 4.761 3.053 -6.887 398 HG3 PRO 49 1HG PRO 49 5.571 1.492 -7.117 399 HD2 PRO 49 2HD PRO 49 6.392 3.235 -5.238 400 HD3 PRO 49 1HD PRO 49 7.538 2.219 -6.137 401 H ARG 50 HN ARG 50 6.327 5.523 -10.420 402 HA ARG 50 HA ARG 50 4.947 7.716 -9.088 403 HB2 ARG 50 2HB ARG 50 5.798 7.395 -11.971 404 HB3 ARG 50 1HB ARG 50 5.063 8.837 -11.283 405 HG2 ARG 50 2HG ARG 50 6.990 8.971 -9.700 406 HG3 ARG 50 1HG ARG 50 7.742 7.654 -10.599 407 HD2 ARG 50 2HD ARG 50 8.628 9.768 -11.357 408 HD3 ARG 50 1HD ARG 50 7.658 9.038 -12.637 409 HE ARG 50 HE ARG 50 6.110 10.742 -12.428 410 HH11 ARG 50 1HH1 ARG 50 8.502 10.985 -9.863 411 HH12 ARG 50 2HH1 ARG 50 7.983 12.577 -9.373 412 HH21 ARG 50 1HH2 ARG 50 5.457 12.829 -11.787 413 HH22 ARG 50 2HH2 ARG 50 6.267 13.625 -10.467 414 H MET 51 HN MET 51 3.163 8.575 -10.931 415 HA MET 51 HA MET 51 0.933 7.104 -10.141 416 HB2 MET 51 2HB MET 51 1.262 9.177 -12.302 417 HB3 MET 51 1HB MET 51 -0.299 8.507 -11.844 418 HG2 MET 51 2HG MET 51 -0.007 9.337 -9.578 419 HG3 MET 51 1HG MET 51 1.577 9.980 -10.004 420 HE1 MET 51 3HE MET 51 -1.664 10.043 -12.286 421 HE2 MET 51 1HE MET 51 -2.391 11.568 -11.775 422 HE3 MET 51 2HE MET 51 -2.290 10.216 -10.646 423 H GLY 52 HN GLY 52 2.872 6.836 -13.032 424 HA2 GLY 52 2HA GLY 52 1.036 5.409 -14.632 425 HA3 GLY 52 1HA GLY 52 2.783 5.391 -14.812 426 H LYS 53 HN LYS 53 3.384 4.324 -12.226 427 HA LYS 53 HA LYS 53 2.677 1.552 -12.817 428 HB2 LYS 53 2HB LYS 53 5.050 2.881 -11.838 429 HB3 LYS 53 1HB LYS 53 4.594 1.537 -10.797 430 HG2 LYS 53 2HG LYS 53 6.176 0.965 -12.656 431 HG3 LYS 53 1HG LYS 53 4.706 -0.010 -12.588 432 HD2 LYS 53 2HD LYS 53 3.712 1.470 -14.323 433 HD3 LYS 53 1HD LYS 53 5.265 2.300 -14.449 434 HE2 LYS 53 2HE LYS 53 6.342 0.284 -15.189 435 HE3 LYS 53 1HE LYS 53 4.880 -0.656 -14.892 436 HZ1 LYS 53 3HZ LYS 53 3.759 0.574 -16.632 437 HZ2 LYS 53 1HZ LYS 53 5.168 -0.147 -17.241 438 HZ3 LYS 53 2HZ LYS 53 5.142 1.517 -16.907 439 H VAL 54 HN VAL 54 2.345 3.951 -10.284 440 HA VAL 54 HA VAL 54 1.446 2.281 -8.215 441 HB VAL 54 HB VAL 54 0.641 5.124 -8.875 442 HG11 VAL 54 1HG1 VAL 54 -0.215 5.285 -6.596 443 HG12 VAL 54 2HG1 VAL 54 0.134 3.578 -6.329 444 HG13 VAL 54 3HG1 VAL 54 -1.093 4.054 -7.504 445 HG21 VAL 54 3HG2 VAL 54 2.576 3.995 -6.855 446 HG22 VAL 54 1HG2 VAL 54 2.169 5.700 -7.045 447 HG23 VAL 54 2HG2 VAL 54 2.999 4.841 -8.343 448 H GLN 55 HN GLN 55 -0.198 3.637 -11.001 449 HA GLN 55 HA GLN 55 -2.825 2.906 -10.400 450 HB2 GLN 55 2HB GLN 55 -2.269 4.400 -12.243 451 HB3 GLN 55 1HB GLN 55 -1.424 3.102 -13.076 452 HG2 GLN 55 2HG GLN 55 -3.594 3.499 -14.068 453 HG3 GLN 55 1HG GLN 55 -3.525 1.896 -13.337 454 HE21 GLN 55 1HE2 GLN 55 -4.738 1.473 -11.488 455 HE22 GLN 55 2HE2 GLN 55 -6.031 2.508 -10.990 456 H ALA 56 HN ALA 56 -0.226 1.086 -11.960 457 HA ALA 56 HA ALA 56 -1.814 -1.183 -12.593 458 HB1 ALA 56 1HB ALA 56 0.278 -0.697 -13.772 459 HB2 ALA 56 2HB ALA 56 0.309 -2.305 -13.047 460 HB3 ALA 56 3HB ALA 56 1.181 -0.978 -12.283 461 H LEU 57 HN LEU 57 0.289 -0.336 -9.882 462 HA LEU 57 HA LEU 57 0.212 -2.818 -8.564 463 HB2 LEU 57 2HB LEU 57 0.593 -0.036 -7.460 464 HB3 LEU 57 1HB LEU 57 0.867 -1.509 -6.552 465 HG LEU 57 HG LEU 57 2.385 -0.672 -9.022 466 HD11 LEU 57 1HD1 LEU 57 4.256 -0.342 -7.485 467 HD12 LEU 57 2HD1 LEU 57 3.206 -0.721 -6.120 468 HD13 LEU 57 3HD1 LEU 57 2.904 0.720 -7.091 469 HD21 LEU 57 3HD2 LEU 57 3.844 -2.558 -8.514 470 HD22 LEU 57 1HD2 LEU 57 2.193 -3.103 -8.809 471 HD23 LEU 57 2HD2 LEU 57 2.809 -3.009 -7.158 472 H ALA 58 HN ALA 58 -1.745 0.127 -8.069 473 HA ALA 58 HA ALA 58 -3.307 -0.915 -5.969 474 HB1 ALA 58 1HB ALA 58 -3.138 1.480 -6.464 475 HB2 ALA 58 2HB ALA 58 -4.818 0.943 -6.398 476 HB3 ALA 58 3HB ALA 58 -4.043 1.229 -7.958 477 H ASP 59 HN ASP 59 -3.647 -1.038 -9.447 478 HA ASP 59 HA ASP 59 -6.290 -2.077 -9.497 479 HB2 ASP 59 2HB ASP 59 -5.304 -0.947 -11.431 480 HB3 ASP 59 1HB ASP 59 -4.088 -2.211 -11.563 481 H TYR 60 HN TYR 60 -3.085 -3.545 -9.646 482 HA TYR 60 HA TYR 60 -3.955 -6.169 -10.203 483 HB2 TYR 60 2HB TYR 60 -1.631 -5.280 -10.519 484 HB3 TYR 60 1HB TYR 60 -1.413 -5.373 -8.777 485 HD1 TYR 60 1HD TYR 60 -2.418 -7.520 -11.660 486 HD2 TYR 60 2HD TYR 60 -0.494 -7.305 -7.869 487 HE1 TYR 60 1HE TYR 60 -1.736 -9.870 -11.879 488 HE2 TYR 60 2HE TYR 60 0.194 -9.658 -8.082 489 HH TYR 60 HH TYR 60 -0.007 -11.375 -11.006 490 H PHE 61 HN PHE 61 -3.406 -4.441 -7.195 491 HA PHE 61 HA PHE 61 -3.918 -6.846 -5.632 492 HB2 PHE 61 2HB PHE 61 -3.117 -4.037 -4.896 493 HB3 PHE 61 1HB PHE 61 -3.576 -5.224 -3.688 494 HD1 PHE 61 1HD PHE 61 -2.232 -7.327 -3.474 495 HD2 PHE 61 2HD PHE 61 -0.962 -4.025 -5.838 496 HE1 PHE 61 1HE PHE 61 0.073 -8.186 -3.431 497 HE2 PHE 61 2HE PHE 61 1.344 -4.879 -5.801 498 HZ PHE 61 HZ PHE 61 1.867 -6.963 -4.593 499 H ASN 62 HN ASN 62 -5.751 -4.588 -7.151 500 HA ASN 62 HA ASN 62 -7.870 -3.801 -6.990 501 HB2 ASN 62 2HB ASN 62 -8.254 -6.315 -6.896 502 HB3 ASN 62 1HB ASN 62 -8.407 -6.142 -5.152 503 HD21 ASN 62 1HD2 ASN 62 -9.541 -3.871 -7.603 504 HD22 ASN 62 2HD2 ASN 62 -11.228 -4.062 -7.253 505 H ILE 63 HN ILE 63 -6.238 -2.420 -5.418 506 HA ILE 63 HA ILE 63 -7.817 -1.954 -2.973 507 HB ILE 63 HB ILE 63 -5.731 -1.204 -1.846 508 HG12 ILE 63 2HG1 ILE 63 -4.354 -2.496 -4.214 509 HG13 ILE 63 1HG1 ILE 63 -4.404 -0.767 -3.881 510 HG21 ILE 63 1HG2 ILE 63 -6.655 -3.419 -1.418 511 HG22 ILE 63 2HG2 ILE 63 -4.892 -3.441 -1.336 512 HG23 ILE 63 3HG2 ILE 63 -5.716 -4.078 -2.760 513 HD11 ILE 63 3HD1 ILE 63 -3.128 -2.846 -2.124 514 HD12 ILE 63 1HD1 ILE 63 -3.149 -1.109 -1.836 515 HD13 ILE 63 2HD1 ILE 63 -2.281 -1.760 -3.226 516 H ASN 64 HN ASN 64 -6.916 0.318 -2.049 517 HA ASN 64 HA ASN 64 -7.371 2.227 -4.234 518 HB2 ASN 64 2HB ASN 64 -7.413 2.687 -1.237 519 HB3 ASN 64 1HB ASN 64 -7.907 3.835 -2.474 520 HD21 ASN 64 1HD2 ASN 64 -8.752 1.014 -0.675 521 HD22 ASN 64 2HD2 ASN 64 -10.412 0.947 -1.166 522 H LYS 65 HN LYS 65 -6.074 4.236 -4.203 523 HA LYS 65 HA LYS 65 -3.302 3.732 -4.039 524 HB2 LYS 65 2HB LYS 65 -3.000 6.086 -4.536 525 HB3 LYS 65 1HB LYS 65 -4.329 5.460 -5.503 526 HG2 LYS 65 2HG LYS 65 -5.921 6.422 -3.884 527 HG3 LYS 65 1HG LYS 65 -4.563 7.119 -3.001 528 HD2 LYS 65 2HD LYS 65 -3.930 8.367 -5.040 529 HD3 LYS 65 1HD LYS 65 -5.365 7.725 -5.846 530 HE2 LYS 65 2HE LYS 65 -6.748 8.755 -4.045 531 HE3 LYS 65 1HE LYS 65 -5.285 9.508 -3.414 532 HZ1 LYS 65 3HZ LYS 65 -5.024 10.567 -5.643 533 HZ2 LYS 65 1HZ LYS 65 -6.385 11.087 -4.772 534 HZ3 LYS 65 2HZ LYS 65 -6.564 9.988 -6.044 535 H SER 66 HN SER 66 -5.620 4.997 -1.790 536 HA SER 66 HA SER 66 -3.841 6.253 0.001 537 HB2 SER 66 2HB SER 66 -6.258 6.726 -0.077 538 HB3 SER 66 1HB SER 66 -6.595 5.096 0.501 539 HG SER 66 HG SER 66 -5.450 7.274 1.867 540 H ASP 67 HN ASP 67 -4.789 2.937 -0.445 541 HA ASP 67 HA ASP 67 -4.219 1.996 2.165 542 HB2 ASP 67 2HB ASP 67 -4.305 0.524 -0.475 543 HB3 ASP 67 1HB ASP 67 -4.144 -0.262 1.089 544 H LEU 68 HN LEU 68 -2.241 2.699 -0.583 545 HA LEU 68 HA LEU 68 0.064 1.343 0.580 546 HB2 LEU 68 2HB LEU 68 -0.253 2.843 -2.021 547 HB3 LEU 68 1HB LEU 68 1.217 2.043 -1.503 548 HG LEU 68 HG LEU 68 -1.417 0.686 -2.085 549 HD11 LEU 68 1HD1 LEU 68 -0.225 -0.278 -3.994 550 HD12 LEU 68 2HD1 LEU 68 1.181 0.716 -3.611 551 HD13 LEU 68 3HD1 LEU 68 -0.332 1.478 -4.100 552 HD21 LEU 68 3HD2 LEU 68 -0.181 -0.453 -0.322 553 HD22 LEU 68 1HD2 LEU 68 1.263 -0.478 -1.334 554 HD23 LEU 68 2HD2 LEU 68 -0.166 -1.398 -1.812 555 H ILE 69 HN ILE 69 -1.348 4.467 0.365 556 HA ILE 69 HA ILE 69 1.143 5.895 0.742 557 HB ILE 69 HB ILE 69 -1.703 6.918 0.729 558 HG12 ILE 69 2HG1 ILE 69 0.456 7.059 -1.387 559 HG13 ILE 69 1HG1 ILE 69 -0.944 5.993 -1.435 560 HG21 ILE 69 1HG2 ILE 69 -0.269 8.385 2.022 561 HG22 ILE 69 2HG2 ILE 69 -0.683 9.148 0.486 562 HG23 ILE 69 3HG2 ILE 69 0.910 8.427 0.712 563 HD11 ILE 69 3HD1 ILE 69 -1.257 7.936 -2.859 564 HD12 ILE 69 1HD1 ILE 69 -1.014 9.001 -1.477 565 HD13 ILE 69 2HD1 ILE 69 -2.416 7.935 -1.531 566 H GLU 70 HN GLU 70 -1.847 5.392 2.636 567 HA GLU 70 HA GLU 70 -0.527 6.592 4.930 568 HB2 GLU 70 2HB GLU 70 -3.392 5.851 4.389 569 HB3 GLU 70 1HB GLU 70 -2.822 6.466 5.922 570 HG2 GLU 70 2HG GLU 70 -1.995 8.492 4.734 571 HG3 GLU 70 1HG GLU 70 -2.781 7.883 3.278 572 H ASP 71 HN ASP 71 -0.604 5.581 6.983 573 HA ASP 71 HA ASP 71 0.062 2.777 6.770 574 HB2 ASP 71 2HB ASP 71 1.433 4.419 8.068 575 HB3 ASP 71 1HB ASP 71 0.099 4.576 9.206 576 H LYS 72 HN LYS 72 -0.658 1.367 8.699 577 HA LYS 72 HA LYS 72 -3.517 1.131 8.499 578 HB2 LYS 72 2HB LYS 72 -3.163 -0.954 9.784 579 HB3 LYS 72 1HB LYS 72 -2.110 -0.851 8.379 580 HG2 LYS 72 2HG LYS 72 -0.316 -0.002 9.915 581 HG3 LYS 72 1HG LYS 72 -1.380 -0.415 11.260 582 HD2 LYS 72 2HD LYS 72 -1.416 -2.746 10.507 583 HD3 LYS 72 1HD LYS 72 -0.342 -2.329 9.167 584 HE2 LYS 72 2HE LYS 72 1.281 -1.482 10.918 585 HE3 LYS 72 1HE LYS 72 0.252 -2.262 12.117 586 HZ1 LYS 72 3HZ LYS 72 2.099 -3.667 11.467 587 HZ2 LYS 72 1HZ LYS 72 1.596 -3.630 9.848 588 HZ3 LYS 72 2HZ LYS 72 0.628 -4.380 11.023 589 H LYS 73 HN LYS 73 -2.594 3.468 9.906 590 HA LYS 73 HA LYS 73 -3.038 3.016 12.722 591 HB2 LYS 73 2HB LYS 73 -2.572 5.516 11.090 592 HB3 LYS 73 1HB LYS 73 -2.766 5.507 12.832 593 HG2 LYS 73 2HG LYS 73 -0.615 3.975 11.400 594 HG3 LYS 73 1HG LYS 73 -0.407 5.616 12.016 595 HD2 LYS 73 2HD LYS 73 -0.914 4.831 14.277 596 HD3 LYS 73 1HD LYS 73 -1.130 3.190 13.664 597 HE2 LYS 73 2HE LYS 73 1.428 4.748 13.346 598 HE3 LYS 73 1HE LYS 73 1.111 3.689 14.720 599 HZ1 LYS 73 3HZ LYS 73 1.000 1.815 13.307 600 HZ2 LYS 73 1HZ LYS 73 2.393 2.668 12.850 601 HZ3 LYS 73 2HZ LYS 73 0.991 2.763 11.896 602 H LEU 74 HN LEU 74 -5.115 2.683 10.499 603 HA LEU 74 HA LEU 74 -7.109 4.666 11.061 604 HB2 LEU 74 2HB LEU 74 -7.180 2.113 9.463 605 HB3 LEU 74 1HB LEU 74 -8.490 3.265 9.551 606 HG LEU 74 HG LEU 74 -5.749 3.868 8.445 607 HD11 LEU 74 1HD1 LEU 74 -6.895 3.916 6.265 608 HD12 LEU 74 2HD1 LEU 74 -8.363 3.325 7.046 609 HD13 LEU 74 3HD1 LEU 74 -6.918 2.316 7.007 610 HD21 LEU 74 3HD2 LEU 74 -8.293 5.487 8.467 611 HD22 LEU 74 1HD2 LEU 74 -6.805 5.927 7.629 612 HD23 LEU 74 2HD2 LEU 74 -6.829 5.829 9.391 613 H ASN 75 HN ASN 75 -7.033 4.180 13.397 614 HA ASN 75 HA ASN 75 -8.971 2.066 14.045 615 HB2 ASN 75 2HB ASN 75 -6.478 2.872 15.542 616 HB3 ASN 75 1HB ASN 75 -7.815 2.069 16.354 617 HD21 ASN 75 1HD2 ASN 75 -5.277 1.734 13.999 618 HD22 ASN 75 2HD2 ASN 75 -5.331 0.010 13.892 619 H ILE 76 HN ILE 76 -9.496 2.724 16.637 620 HA ILE 76 HA ILE 76 -11.108 5.071 16.256 621 HB ILE 76 HB ILE 76 -10.776 3.421 18.764 622 HG12 ILE 76 2HG1 ILE 76 -12.842 3.190 16.559 623 HG13 ILE 76 1HG1 ILE 76 -11.519 2.061 16.833 624 HG21 ILE 76 1HG2 ILE 76 -11.748 5.621 19.165 625 HG22 ILE 76 2HG2 ILE 76 -12.959 4.357 19.381 626 HG23 ILE 76 3HG2 ILE 76 -12.952 5.331 17.910 627 HD11 ILE 76 3HD1 ILE 76 -12.463 1.494 19.017 628 HD12 ILE 76 1HD1 ILE 76 -13.604 1.189 17.707 629 HD13 ILE 76 2HD1 ILE 76 -13.792 2.616 18.726 630 H ASP 77 HN ASP 77 -10.781 7.054 17.005 631 HA ASP 77 HA ASP 77 -9.134 7.718 19.207 632 HB2 ASP 77 2HB ASP 77 -7.343 7.383 17.532 633 HB3 ASP 77 1HB ASP 77 -8.136 8.538 16.463 634 H THR 78 HN THR 78 -10.034 9.423 20.049 635 HA THR 78 HA THR 78 -12.359 10.558 19.213 636 HB THR 78 HB THR 78 -11.860 12.433 20.807 637 HG1 THR 78 1HG THR 78 -9.353 11.686 20.364 638 HG21 THR 78 3HG2 THR 78 -11.286 9.640 21.801 639 HG22 THR 78 1HG2 THR 78 -12.889 10.319 21.525 640 HG23 THR 78 2HG2 THR 78 -11.849 10.996 22.778 641 H VAL 79 HN VAL 79 -13.024 12.325 18.111 642 HA VAL 79 HA VAL 79 -11.035 13.479 16.276 643 HB VAL 79 HB VAL 79 -14.014 13.209 15.835 644 HG11 VAL 79 1HG1 VAL 79 -11.778 13.977 13.966 645 HG12 VAL 79 2HG1 VAL 79 -13.045 15.039 14.579 646 HG13 VAL 79 3HG1 VAL 79 -13.455 13.712 13.492 647 HG21 VAL 79 3HG2 VAL 79 -12.961 11.014 15.943 648 HG22 VAL 79 1HG2 VAL 79 -11.762 11.524 14.753 649 HG23 VAL 79 2HG2 VAL 79 -13.460 11.395 14.293 650 HA PRO 80 HA PRO 80 -12.322 17.182 18.657 651 HB2 PRO 80 2HB PRO 80 -9.957 18.454 18.471 652 HB3 PRO 80 1HB PRO 80 -10.235 17.174 19.659 653 HG2 PRO 80 2HG PRO 80 -8.851 17.030 17.009 654 HG3 PRO 80 1HG PRO 80 -8.369 16.319 18.560 655 HD2 PRO 80 2HD PRO 80 -9.613 14.909 16.590 656 HD3 PRO 80 1HD PRO 80 -9.779 14.523 18.315 657 H ILE 81 HN ILE 81 -11.358 19.612 17.882 658 HA ILE 81 HA ILE 81 -12.616 19.902 15.283 659 HB ILE 81 HB ILE 81 -11.521 22.037 17.112 660 HG12 ILE 81 2HG1 ILE 81 -14.056 22.540 17.325 661 HG13 ILE 81 1HG1 ILE 81 -14.278 20.892 16.751 662 HG21 ILE 81 1HG2 ILE 81 -11.528 22.761 14.802 663 HG22 ILE 81 2HG2 ILE 81 -12.768 23.614 15.722 664 HG23 ILE 81 3HG2 ILE 81 -13.223 22.294 14.641 665 HD11 ILE 81 3HD1 ILE 81 -14.395 20.997 19.173 666 HD12 ILE 81 1HD1 ILE 81 -12.780 21.706 19.234 667 HD13 ILE 81 2HD1 ILE 81 -12.996 20.054 18.654 668 H GLU 82 HN GLU 82 -11.608 20.219 13.452 669 HA GLU 82 HA GLU 82 -8.916 21.251 13.288 670 HB2 GLU 82 2HB GLU 82 -8.698 18.743 13.737 671 HB3 GLU 82 1HB GLU 82 -9.458 18.490 12.174 672 HG2 GLU 82 2HG GLU 82 -7.617 19.779 11.129 673 HG3 GLU 82 1HG GLU 82 -6.842 19.871 12.708 674 H SER 83 HN SER 83 -8.268 21.418 10.922 675 HA SER 83 HA SER 83 -10.167 22.687 9.377 676 HB2 SER 83 2HB SER 83 -7.684 22.728 9.014 677 HB3 SER 83 1HB SER 83 -7.808 21.118 8.303 678 HG SER 83 HG SER 83 -7.836 22.956 6.809 679 H GLY 84 HN GLY 84 -11.802 22.051 8.116 680 HA2 GLY 84 2HA GLY 84 -12.607 19.303 8.296 681 HA3 GLY 84 1HA GLY 84 -13.518 20.614 7.566 682 H TYR 85 HN TYR 85 -13.459 20.925 5.417 683 HA TYR 85 HA TYR 85 -13.456 20.226 3.260 684 HB2 TYR 85 2HB TYR 85 -11.023 20.871 3.479 685 HB3 TYR 85 1HB TYR 85 -10.667 19.177 3.799 686 HD1 TYR 85 1HD TYR 85 -12.793 20.974 1.305 687 HD2 TYR 85 2HD TYR 85 -9.672 18.158 1.962 688 HE1 TYR 85 1HE TYR 85 -12.641 20.589 -1.114 689 HE2 TYR 85 2HE TYR 85 -9.513 17.765 -0.461 690 HH TYR 85 HH TYR 85 -10.821 17.992 -2.458 691 H THR 86 HN THR 86 -15.077 18.728 3.664 692 HA THR 86 HA THR 86 -16.107 16.737 4.001 693 HB THR 86 HB THR 86 -13.442 15.515 3.225 694 HG1 THR 86 1HG THR 86 -14.000 16.089 1.262 695 HG21 THR 86 3HG2 THR 86 -14.861 13.907 4.392 696 HG22 THR 86 1HG2 THR 86 -14.777 13.517 2.674 697 HG23 THR 86 2HG2 THR 86 -16.212 14.305 3.329 698 H LEU 87 HN LEU 87 -16.328 17.258 6.203 699 HA LEU 87 HA LEU 87 -14.228 16.546 8.047 700 HB2 LEU 87 2HB LEU 87 -15.808 17.425 9.773 701 HB3 LEU 87 1HB LEU 87 -15.342 18.572 8.535 702 HG LEU 87 HG LEU 87 -17.596 17.859 7.409 703 HD11 LEU 87 1HD1 LEU 87 -18.128 16.029 8.911 704 HD12 LEU 87 2HD1 LEU 87 -19.339 17.305 9.037 705 HD13 LEU 87 3HD1 LEU 87 -18.109 17.130 10.287 706 HD21 LEU 87 3HD2 LEU 87 -17.074 20.092 8.239 707 HD22 LEU 87 1HD2 LEU 87 -17.513 19.591 9.874 708 HD23 LEU 87 2HD2 LEU 87 -18.740 19.644 8.608 709 H GLU 88 HN GLU 88 -14.338 15.030 9.685 710 HA GLU 88 HA GLU 88 -15.986 12.728 9.082 711 HB2 GLU 88 2HB GLU 88 -13.548 12.568 9.677 712 HB3 GLU 88 1HB GLU 88 -13.967 13.078 11.304 713 HG2 GLU 88 2HG GLU 88 -13.666 10.637 11.065 714 HG3 GLU 88 1HG GLU 88 -15.260 11.101 11.663 715 H HIS 89 HN HIS 89 -17.162 11.598 10.819 716 HA HIS 89 HA HIS 89 -19.058 13.338 12.014 717 HB2 HIS 89 2HB HIS 89 -18.554 10.382 12.405 718 HB3 HIS 89 1HB HIS 89 -19.917 11.242 13.111 719 HD1 HIS 89 1HD HIS 89 -21.981 11.344 11.725 720 HD2 HIS 89 2HD HIS 89 -18.611 10.438 9.464 721 HE1 HIS 89 1HE HIS 89 -22.831 10.838 9.413 722 HE2 HIS 89 2HE HIS 89 -20.790 10.166 8.096 723 H HIS 90 HN HIS 90 -18.653 14.580 13.710 724 HA HIS 90 HA HIS 90 -16.748 13.839 15.751 725 HB2 HIS 90 2HB HIS 90 -18.692 16.165 15.624 726 HB3 HIS 90 1HB HIS 90 -17.428 15.966 16.832 727 HD1 HIS 90 1HD HIS 90 -18.042 17.120 13.365 728 HD2 HIS 90 2HD HIS 90 -14.776 16.389 15.844 729 HE1 HIS 90 1HE HIS 90 -16.076 18.224 12.249 730 HE2 HIS 90 2HE HIS 90 -14.167 17.947 13.868 731 H HIS 91 HN HIS 91 -17.338 12.229 17.081 732 HA HIS 91 HA HIS 91 -20.148 12.067 17.917 733 HB2 HIS 91 2HB HIS 91 -18.904 10.097 16.810 734 HB3 HIS 91 1HB HIS 91 -18.070 9.927 18.352 735 HD1 HIS 91 1HD HIS 91 -19.120 8.228 19.810 736 HD2 HIS 91 2HD HIS 91 -21.906 10.080 17.333 737 HE1 HIS 91 1HE HIS 91 -21.322 7.104 20.296 738 HE2 HIS 91 2HE HIS 91 -23.015 8.361 18.915 739 H HIS 92 HN HIS 92 -17.085 11.110 19.490 740 HA HIS 92 HA HIS 92 -17.785 12.785 21.789 741 HB2 HIS 92 2HB HIS 92 -17.345 9.814 21.830 742 HB3 HIS 92 1HB HIS 92 -16.920 10.788 23.234 743 HD1 HIS 92 1HD HIS 92 -19.516 8.693 22.309 744 HD2 HIS 92 2HD HIS 92 -19.433 12.617 23.701 745 HE1 HIS 92 1HE HIS 92 -21.795 9.123 23.282 746 HE2 HIS 92 2HE HIS 92 -21.649 11.426 24.300 747 H HIS 93 HN HIS 93 -15.988 13.218 23.216 748 HA HIS 93 HA HIS 93 -13.356 12.534 22.105 749 HB2 HIS 93 2HB HIS 93 -12.506 14.722 22.297 750 HB3 HIS 93 1HB HIS 93 -14.092 14.946 21.577 751 HD1 HIS 93 1HD HIS 93 -12.032 16.503 23.919 752 HD2 HIS 93 2HD HIS 93 -16.057 15.448 23.941 753 HE1 HIS 93 1HE HIS 93 -13.096 17.921 25.698 754 HE2 HIS 93 2HE HIS 93 -15.543 17.336 25.640 755 H HIS 94 HN HIS 94 -11.669 12.374 23.660 756 HA HIS 94 HA HIS 94 -12.698 11.834 26.359 757 HB2 HIS 94 2HB HIS 94 -11.579 9.973 25.034 758 HB3 HIS 94 1HB HIS 94 -10.081 10.885 25.170 759 HD1 HIS 94 1HD HIS 94 -11.755 8.184 26.719 760 HD2 HIS 94 2HD HIS 94 -9.575 11.429 28.139 761 HE1 HIS 94 1HE HIS 94 -11.024 7.551 29.036 762 HE2 HIS 94 2HE HIS 94 -9.934 9.626 29.959 Start of MODEL 8 1 H1 MET 1 H1 MET 1 20.402 13.293 7.764 2 H2 MET 1 H2 MET 1 18.807 12.838 8.144 3 H3 MET 1 H3 MET 1 19.095 14.233 7.226 4 HA MET 1 HA MET 1 19.951 12.946 5.414 5 HB2 MET 1 2HB MET 1 20.922 11.140 6.796 6 HB3 MET 1 1HB MET 1 19.304 10.558 7.162 7 HG2 MET 1 2HG MET 1 18.946 10.097 4.783 8 HG3 MET 1 1HG MET 1 20.583 10.652 4.437 9 HE1 MET 1 2HE MET 1 19.528 7.843 3.465 10 HE2 MET 1 3HE MET 1 20.875 6.787 3.883 11 HE3 MET 1 1HE MET 1 21.185 8.380 3.193 12 H VAL 2 HN VAL 2 18.514 12.471 3.770 13 HA VAL 2 HA VAL 2 15.707 12.756 4.458 14 HB VAL 2 HB VAL 2 16.975 12.455 1.726 15 HG11 VAL 2 1HG1 VAL 2 14.870 13.396 0.894 16 HG12 VAL 2 2HG1 VAL 2 14.228 13.409 2.537 17 HG13 VAL 2 3HG1 VAL 2 14.605 11.875 1.749 18 HG21 VAL 2 3HG2 VAL 2 16.712 14.891 1.553 19 HG22 VAL 2 1HG2 VAL 2 17.810 14.436 2.855 20 HG23 VAL 2 2HG2 VAL 2 16.162 14.938 3.228 21 H LYS 3 HN LYS 3 15.081 10.851 5.405 22 HA LYS 3 HA LYS 3 15.469 8.346 3.968 23 HB2 LYS 3 2HB LYS 3 15.701 8.434 6.438 24 HB3 LYS 3 1HB LYS 3 14.019 8.915 6.567 25 HG2 LYS 3 2HG LYS 3 14.119 6.615 7.091 26 HG3 LYS 3 1HG LYS 3 13.416 6.729 5.478 27 HD2 LYS 3 2HD LYS 3 16.364 6.355 5.761 28 HD3 LYS 3 1HD LYS 3 15.296 4.975 6.011 29 HE2 LYS 3 2HE LYS 3 14.326 5.335 3.785 30 HE3 LYS 3 1HE LYS 3 15.412 6.704 3.543 31 HZ1 LYS 3 3HZ LYS 3 16.383 3.961 4.106 32 HZ2 LYS 3 1HZ LYS 3 17.279 5.281 3.534 33 HZ3 LYS 3 2HZ LYS 3 16.134 4.538 2.531 34 H ASP 4 HN ASP 4 12.934 10.591 4.900 35 HA ASP 4 HA ASP 4 10.875 11.033 4.059 36 HB2 ASP 4 2HB ASP 4 11.848 10.767 1.831 37 HB3 ASP 4 1HB ASP 4 11.608 9.027 1.914 38 H LYS 5 HN LYS 5 9.268 10.423 5.301 39 HA LYS 5 HA LYS 5 9.180 7.835 6.470 40 HB2 LYS 5 2HB LYS 5 7.110 10.033 6.553 41 HB3 LYS 5 1HB LYS 5 7.159 8.627 7.605 42 HG2 LYS 5 2HG LYS 5 9.301 9.397 8.518 43 HG3 LYS 5 1HG LYS 5 9.213 10.824 7.480 44 HD2 LYS 5 2HD LYS 5 7.061 11.412 8.563 45 HD3 LYS 5 1HD LYS 5 7.282 10.053 9.662 46 HE2 LYS 5 2HE LYS 5 9.350 11.058 10.489 47 HE3 LYS 5 1HE LYS 5 9.138 12.413 9.380 48 HZ1 LYS 5 3HZ LYS 5 7.442 11.689 11.707 49 HZ2 LYS 5 1HZ LYS 5 6.959 12.813 10.528 50 HZ3 LYS 5 2HZ LYS 5 8.336 13.112 11.472 51 H GLN 6 HN GLN 6 7.427 9.384 3.859 52 HA GLN 6 HA GLN 6 5.241 7.604 3.765 53 HB2 GLN 6 2HB GLN 6 6.460 9.386 1.652 54 HB3 GLN 6 1HB GLN 6 4.967 8.493 1.425 55 HG2 GLN 6 2HG GLN 6 4.373 10.710 1.984 56 HG3 GLN 6 1HG GLN 6 4.036 9.717 3.399 57 HE21 GLN 6 1HE2 GLN 6 4.108 11.486 4.779 58 HE22 GLN 6 2HE2 GLN 6 5.599 12.275 5.186 59 H LYS 7 HN LYS 7 8.422 7.586 2.303 60 HA LYS 7 HA LYS 7 8.092 5.399 0.572 61 HB2 LYS 7 2HB LYS 7 10.012 7.025 0.642 62 HB3 LYS 7 1HB LYS 7 10.607 6.171 2.055 63 HG2 LYS 7 2HG LYS 7 10.849 4.135 0.728 64 HG3 LYS 7 1HG LYS 7 10.240 4.992 -0.689 65 HD2 LYS 7 2HD LYS 7 12.706 5.799 0.851 66 HD3 LYS 7 1HD LYS 7 12.729 4.786 -0.592 67 HE2 LYS 7 2HE LYS 7 13.210 6.972 -1.333 68 HE3 LYS 7 1HE LYS 7 11.534 6.670 -1.781 69 HZ1 LYS 7 3HZ LYS 7 12.389 8.185 0.627 70 HZ2 LYS 7 1HZ LYS 7 10.801 7.976 0.082 71 HZ3 LYS 7 2HZ LYS 7 11.891 8.892 -0.832 72 H ALA 8 HN ALA 8 8.854 5.591 3.993 73 HA ALA 8 HA ALA 8 9.451 2.807 4.289 74 HB1 ALA 8 1HB ALA 8 9.472 3.264 6.679 75 HB2 ALA 8 2HB ALA 8 8.747 4.848 6.396 76 HB3 ALA 8 3HB ALA 8 10.372 4.502 5.801 77 H ILE 9 HN ILE 9 6.590 4.810 4.631 78 HA ILE 9 HA ILE 9 4.937 2.771 5.758 79 HB ILE 9 HB ILE 9 4.137 5.255 4.226 80 HG12 ILE 9 2HG1 ILE 9 4.315 4.765 7.211 81 HG13 ILE 9 1HG1 ILE 9 5.465 5.710 6.272 82 HG21 ILE 9 1HG2 ILE 9 2.510 3.433 6.007 83 HG22 ILE 9 2HG2 ILE 9 2.331 3.628 4.262 84 HG23 ILE 9 3HG2 ILE 9 1.953 4.970 5.345 85 HD11 ILE 9 3HD1 ILE 9 3.905 7.131 7.479 86 HD12 ILE 9 1HD1 ILE 9 2.553 6.361 6.645 87 HD13 ILE 9 2HD1 ILE 9 3.725 7.319 5.733 88 H PHE 10 HN PHE 10 5.496 4.013 2.503 89 HA PHE 10 HA PHE 10 3.702 2.524 1.030 90 HB2 PHE 10 2HB PHE 10 5.085 4.306 0.074 91 HB3 PHE 10 1HB PHE 10 6.530 3.327 0.292 92 HD1 PHE 10 1HD PHE 10 3.494 3.824 -1.691 93 HD2 PHE 10 2HD PHE 10 7.021 1.493 -1.208 94 HE1 PHE 10 1HE PHE 10 3.184 2.890 -3.946 95 HE2 PHE 10 2HE PHE 10 6.718 0.555 -3.462 96 HZ PHE 10 HZ PHE 10 4.798 1.256 -4.834 97 H SER 11 HN SER 11 7.085 1.666 1.733 98 HA SER 11 HA SER 11 6.990 -0.851 0.487 99 HB2 SER 11 2HB SER 11 9.074 -1.252 1.965 100 HB3 SER 11 1HB SER 11 9.130 0.054 0.780 101 HG SER 11 HG SER 11 9.010 1.525 2.354 102 H GLU 12 HN GLU 12 6.673 0.067 3.903 103 HA GLU 12 HA GLU 12 6.484 -2.502 4.982 104 HB2 GLU 12 2HB GLU 12 6.844 -0.458 6.305 105 HB3 GLU 12 1HB GLU 12 5.198 0.052 5.966 106 HG2 GLU 12 2HG GLU 12 5.416 -0.876 8.202 107 HG3 GLU 12 1HG GLU 12 4.331 -1.842 7.202 108 H ASN 13 HN ASN 13 3.892 -0.309 3.889 109 HA ASN 13 HA ASN 13 1.820 -2.138 4.622 110 HB2 ASN 13 2HB ASN 13 1.874 0.537 4.018 111 HB3 ASN 13 1HB ASN 13 1.144 -0.145 2.568 112 HD21 ASN 13 1HD2 ASN 13 -0.849 0.823 3.041 113 HD22 ASN 13 2HD2 ASN 13 -1.872 0.222 4.301 114 H LEU 14 HN LEU 14 3.465 -1.336 1.597 115 HA LEU 14 HA LEU 14 1.899 -2.880 -0.139 116 HB2 LEU 14 2HB LEU 14 3.485 -1.270 -0.983 117 HB3 LEU 14 1HB LEU 14 4.824 -2.156 -0.281 118 HG LEU 14 HG LEU 14 4.321 -4.045 -1.829 119 HD11 LEU 14 1HD1 LEU 14 2.410 -2.073 -3.075 120 HD12 LEU 14 2HD1 LEU 14 1.973 -3.569 -2.249 121 HD13 LEU 14 3HD1 LEU 14 2.880 -3.628 -3.761 122 HD21 LEU 14 3HD2 LEU 14 4.893 -1.373 -3.105 123 HD22 LEU 14 1HD2 LEU 14 5.236 -2.946 -3.827 124 HD23 LEU 14 2HD2 LEU 14 6.071 -2.450 -2.355 125 H ASN 15 HN ASN 15 4.864 -3.726 1.634 126 HA ASN 15 HA ASN 15 5.146 -6.326 0.622 127 HB2 ASN 15 2HB ASN 15 6.817 -4.944 1.996 128 HB3 ASN 15 1HB ASN 15 5.944 -5.517 3.414 129 HD21 ASN 15 1HD2 ASN 15 8.094 -6.335 0.850 130 HD22 ASN 15 2HD2 ASN 15 8.510 -7.916 1.411 131 H SER 16 HN SER 16 3.284 -5.045 3.297 132 HA SER 16 HA SER 16 2.515 -7.462 4.490 133 HB2 SER 16 2HB SER 16 0.980 -4.854 4.366 134 HB3 SER 16 1HB SER 16 0.704 -6.161 5.518 135 HG SER 16 HG SER 16 2.916 -4.401 5.307 136 H TYR 17 HN TYR 17 0.999 -5.553 1.893 137 HA TYR 17 HA TYR 17 -1.241 -7.269 1.580 138 HB2 TYR 17 2HB TYR 17 0.016 -5.178 -0.183 139 HB3 TYR 17 1HB TYR 17 -1.316 -6.171 -0.766 140 HD1 TYR 17 2HD TYR 17 -3.445 -6.216 0.717 141 HD2 TYR 17 1HD TYR 17 -0.453 -3.207 0.981 142 HE1 TYR 17 2HE TYR 17 -5.065 -4.710 1.790 143 HE2 TYR 17 1HE TYR 17 -2.061 -1.691 2.060 144 HH TYR 17 HH TYR 17 -4.544 -1.399 2.154 145 H ILE 18 HN ILE 18 1.956 -7.179 0.087 146 HA ILE 18 HA ILE 18 1.583 -9.183 -1.838 147 HB ILE 18 HB ILE 18 4.100 -8.542 -0.279 148 HG12 ILE 18 2HG1 ILE 18 3.233 -7.550 -3.001 149 HG13 ILE 18 1HG1 ILE 18 3.044 -6.627 -1.514 150 HG21 ILE 18 1HG2 ILE 18 3.720 -9.993 -2.901 151 HG22 ILE 18 2HG2 ILE 18 4.275 -10.696 -1.379 152 HG23 ILE 18 3HG2 ILE 18 5.275 -9.510 -2.221 153 HD11 ILE 18 3HD1 ILE 18 5.005 -5.899 -2.729 154 HD12 ILE 18 1HD1 ILE 18 5.644 -7.544 -2.722 155 HD13 ILE 18 2HD1 ILE 18 5.476 -6.658 -1.207 156 H ALA 19 HN ALA 19 2.618 -9.376 1.552 157 HA ALA 19 HA ALA 19 3.003 -12.157 1.674 158 HB1 ALA 19 1HB ALA 19 2.171 -10.283 3.893 159 HB2 ALA 19 2HB ALA 19 3.829 -10.626 3.393 160 HB3 ALA 19 3HB ALA 19 2.838 -11.904 4.096 161 H LYS 20 HN LYS 20 0.130 -10.161 2.227 162 HA LYS 20 HA LYS 20 -1.628 -12.138 3.110 163 HB2 LYS 20 2HB LYS 20 -2.070 -9.608 1.525 164 HB3 LYS 20 1HB LYS 20 -3.384 -10.607 2.110 165 HG2 LYS 20 2HG LYS 20 -2.742 -10.218 4.391 166 HG3 LYS 20 1HG LYS 20 -1.304 -9.343 3.866 167 HD2 LYS 20 2HD LYS 20 -2.914 -7.713 4.491 168 HD3 LYS 20 1HD LYS 20 -2.831 -7.703 2.732 169 HE2 LYS 20 2HE LYS 20 -4.909 -9.247 4.268 170 HE3 LYS 20 1HE LYS 20 -5.144 -7.578 3.760 171 HZ1 LYS 20 3HZ LYS 20 -4.806 -9.967 2.032 172 HZ2 LYS 20 1HZ LYS 20 -4.703 -8.380 1.438 173 HZ3 LYS 20 2HZ LYS 20 -6.140 -8.933 2.137 174 H SER 21 HN SER 21 -0.623 -11.204 -0.127 175 HA SER 21 HA SER 21 -2.642 -12.684 -1.484 176 HB2 SER 21 2HB SER 21 -1.442 -10.695 -2.435 177 HB3 SER 21 1HB SER 21 -0.001 -11.698 -2.593 178 HG SER 21 HG SER 21 -2.460 -12.515 -3.717 179 H GLU 22 HN GLU 22 0.393 -13.530 -0.083 180 HA GLU 22 HA GLU 22 1.648 -15.437 -0.054 181 HB2 GLU 22 2HB GLU 22 -0.555 -16.361 0.667 182 HB3 GLU 22 1HB GLU 22 -0.927 -16.725 -1.009 183 HG2 GLU 22 2HG GLU 22 -0.211 -18.701 0.219 184 HG3 GLU 22 1HG GLU 22 0.888 -18.315 -1.101 185 H LYS 23 HN LYS 23 1.959 -13.851 -2.231 186 HA LYS 23 HA LYS 23 2.237 -15.719 -4.494 187 HB2 LYS 23 2HB LYS 23 0.491 -13.989 -4.851 188 HB3 LYS 23 1HB LYS 23 1.699 -12.739 -4.588 189 HG2 LYS 23 2HG LYS 23 2.916 -13.519 -6.565 190 HG3 LYS 23 1HG LYS 23 1.674 -14.745 -6.834 191 HD2 LYS 23 2HD LYS 23 1.165 -11.773 -6.756 192 HD3 LYS 23 1HD LYS 23 1.384 -12.709 -8.233 193 HE2 LYS 23 2HE LYS 23 -0.780 -13.158 -6.178 194 HE3 LYS 23 1HE LYS 23 -0.989 -12.311 -7.710 195 HZ1 LYS 23 3HZ LYS 23 -1.677 -14.410 -8.261 196 HZ2 LYS 23 1HZ LYS 23 -0.582 -15.181 -7.214 197 HZ3 LYS 23 2HZ LYS 23 -0.034 -14.520 -8.670 198 H THR 24 HN THR 24 4.086 -15.178 -5.951 199 HA THR 24 HA THR 24 6.373 -14.366 -4.351 200 HB THR 24 HB THR 24 7.647 -15.049 -6.455 201 HG1 THR 24 1HG THR 24 6.474 -16.210 -7.991 202 HG21 THR 24 3HG2 THR 24 5.898 -17.084 -5.071 203 HG22 THR 24 1HG2 THR 24 7.483 -16.530 -4.534 204 HG23 THR 24 2HG2 THR 24 7.332 -17.460 -6.026 205 H GLN 25 HN GLN 25 7.753 -12.674 -4.846 206 HA GLN 25 HA GLN 25 6.582 -10.332 -5.865 207 HB2 GLN 25 2HB GLN 25 9.470 -11.036 -5.325 208 HB3 GLN 25 1HB GLN 25 8.948 -9.433 -5.813 209 HG2 GLN 25 2HG GLN 25 9.218 -9.397 -3.465 210 HG3 GLN 25 1HG GLN 25 7.486 -9.381 -3.783 211 HE21 GLN 25 1HE2 GLN 25 10.172 -11.287 -2.652 212 HE22 GLN 25 2HE2 GLN 25 9.231 -12.495 -1.854 213 H LEU 26 HN LEU 26 8.730 -12.715 -7.278 214 HA LEU 26 HA LEU 26 9.349 -11.430 -9.677 215 HB2 LEU 26 2HB LEU 26 9.968 -13.820 -8.511 216 HB3 LEU 26 1HB LEU 26 8.928 -14.343 -9.822 217 HG LEU 26 HG LEU 26 11.353 -12.597 -10.204 218 HD11 LEU 26 1HD1 LEU 26 11.067 -15.577 -10.559 219 HD12 LEU 26 2HD1 LEU 26 12.036 -14.758 -9.330 220 HD13 LEU 26 3HD1 LEU 26 12.467 -14.613 -11.036 221 HD21 LEU 26 3HD2 LEU 26 9.685 -12.406 -11.977 222 HD22 LEU 26 1HD2 LEU 26 9.683 -14.162 -12.170 223 HD23 LEU 26 2HD2 LEU 26 11.134 -13.234 -12.554 224 H GLU 27 HN GLU 27 6.598 -13.514 -8.819 225 HA GLU 27 HA GLU 27 5.463 -13.658 -11.366 226 HB2 GLU 27 2HB GLU 27 4.985 -15.081 -9.299 227 HB3 GLU 27 1HB GLU 27 3.951 -13.760 -8.764 228 HG2 GLU 27 2HG GLU 27 2.721 -13.951 -10.873 229 HG3 GLU 27 1HG GLU 27 3.683 -15.365 -11.267 230 H ILE 28 HN ILE 28 4.963 -11.446 -8.643 231 HA ILE 28 HA ILE 28 2.837 -9.976 -9.769 232 HB ILE 28 HB ILE 28 4.914 -8.959 -7.819 233 HG12 ILE 28 2HG1 ILE 28 2.248 -10.288 -7.273 234 HG13 ILE 28 1HG1 ILE 28 3.819 -11.056 -7.061 235 HG21 ILE 28 1HG2 ILE 28 2.094 -8.044 -8.393 236 HG22 ILE 28 2HG2 ILE 28 3.575 -7.186 -8.825 237 HG23 ILE 28 3HG2 ILE 28 3.143 -7.403 -7.128 238 HD11 ILE 28 3HD1 ILE 28 2.803 -8.655 -5.555 239 HD12 ILE 28 1HD1 ILE 28 4.382 -9.411 -5.342 240 HD13 ILE 28 2HD1 ILE 28 2.915 -10.304 -4.942 241 H ALA 29 HN ALA 29 6.349 -9.465 -9.811 242 HA ALA 29 HA ALA 29 6.388 -7.040 -11.202 243 HB1 ALA 29 1HB ALA 29 8.693 -7.610 -11.801 244 HB2 ALA 29 2HB ALA 29 8.413 -9.277 -11.298 245 HB3 ALA 29 3HB ALA 29 8.368 -7.977 -10.105 246 H LYS 30 HN LYS 30 6.265 -10.365 -12.374 247 HA LYS 30 HA LYS 30 6.459 -9.788 -15.131 248 HB2 LYS 30 2HB LYS 30 5.446 -12.115 -13.537 249 HB3 LYS 30 1HB LYS 30 5.179 -12.066 -15.275 250 HG2 LYS 30 2HG LYS 30 7.888 -11.826 -13.982 251 HG3 LYS 30 1HG LYS 30 7.196 -13.340 -14.570 252 HD2 LYS 30 2HD LYS 30 7.736 -10.877 -16.223 253 HD3 LYS 30 1HD LYS 30 8.696 -12.358 -16.228 254 HE2 LYS 30 2HE LYS 30 6.756 -13.611 -17.040 255 HE3 LYS 30 1HE LYS 30 5.790 -12.137 -17.023 256 HZ1 LYS 30 3HZ LYS 30 6.602 -12.652 -19.239 257 HZ2 LYS 30 1HZ LYS 30 8.204 -12.602 -18.689 258 HZ3 LYS 30 2HZ LYS 30 7.254 -11.193 -18.689 259 H SER 31 HN SER 31 3.740 -9.846 -12.910 260 HA SER 31 HA SER 31 1.755 -9.668 -14.970 261 HB2 SER 31 2HB SER 31 1.528 -9.061 -12.014 262 HB3 SER 31 1HB SER 31 0.184 -9.293 -13.132 263 HG SER 31 HG SER 31 1.719 -11.404 -13.399 264 H ILE 32 HN ILE 32 3.579 -7.408 -13.020 265 HA ILE 32 HA ILE 32 2.005 -5.117 -13.750 266 HB ILE 32 HB ILE 32 4.775 -5.240 -12.544 267 HG12 ILE 32 2HG1 ILE 32 3.173 -6.314 -11.084 268 HG13 ILE 32 1HG1 ILE 32 3.599 -4.744 -10.412 269 HG21 ILE 32 1HG2 ILE 32 4.344 -3.091 -13.596 270 HG22 ILE 32 2HG2 ILE 32 4.366 -2.935 -11.840 271 HG23 ILE 32 3HG2 ILE 32 2.831 -2.943 -12.705 272 HD11 ILE 32 3HD1 ILE 32 1.087 -5.399 -11.935 273 HD12 ILE 32 1HD1 ILE 32 1.507 -3.820 -11.268 274 HD13 ILE 32 2HD1 ILE 32 1.229 -5.188 -10.189 275 H GLY 33 HN GLY 33 5.113 -6.490 -14.742 276 HA2 GLY 33 2HA GLY 33 5.743 -6.381 -17.087 277 HA3 GLY 33 1HA GLY 33 4.975 -4.802 -17.164 278 H VAL 34 HN VAL 34 7.032 -5.842 -14.533 279 HA VAL 34 HA VAL 34 9.147 -4.036 -15.489 280 HB VAL 34 HB VAL 34 9.523 -3.299 -13.145 281 HG11 VAL 34 1HG1 VAL 34 7.646 -1.733 -13.034 282 HG12 VAL 34 2HG1 VAL 34 6.774 -2.698 -14.225 283 HG13 VAL 34 3HG1 VAL 34 8.271 -1.880 -14.676 284 HG21 VAL 34 3HG2 VAL 34 6.899 -4.687 -12.604 285 HG22 VAL 34 1HG2 VAL 34 7.752 -3.632 -11.477 286 HG23 VAL 34 2HG2 VAL 34 8.477 -5.159 -11.974 287 H SER 35 HN SER 35 11.224 -4.410 -14.276 288 HA SER 35 HA SER 35 11.849 -7.194 -14.255 289 HB2 SER 35 2HB SER 35 13.543 -4.913 -13.210 290 HB3 SER 35 1HB SER 35 14.100 -6.489 -13.771 291 HG SER 35 HG SER 35 13.789 -5.899 -15.822 292 HA PRO 36 HA PRO 36 10.988 -8.268 -10.037 293 HB2 PRO 36 2HB PRO 36 13.578 -9.719 -10.043 294 HB3 PRO 36 1HB PRO 36 11.951 -10.319 -9.708 295 HG2 PRO 36 2HG PRO 36 13.193 -10.901 -12.001 296 HG3 PRO 36 1HG PRO 36 11.447 -10.595 -11.949 297 HD2 PRO 36 2HD PRO 36 13.661 -8.809 -12.872 298 HD3 PRO 36 1HD PRO 36 12.029 -9.022 -13.540 299 H GLN 37 HN GLN 37 14.147 -7.063 -10.943 300 HA GLN 37 HA GLN 37 15.051 -6.348 -8.353 301 HB2 GLN 37 2HB GLN 37 15.770 -5.199 -11.052 302 HB3 GLN 37 1HB GLN 37 16.649 -4.908 -9.561 303 HG2 GLN 37 2HG GLN 37 17.197 -7.274 -9.410 304 HG3 GLN 37 1HG GLN 37 16.296 -7.580 -10.895 305 HE21 GLN 37 1HE2 GLN 37 17.207 -5.051 -12.100 306 HE22 GLN 37 2HE2 GLN 37 18.852 -5.327 -12.563 307 H THR 38 HN THR 38 13.087 -4.751 -10.775 308 HA THR 38 HA THR 38 13.183 -2.152 -9.615 309 HB THR 38 HB THR 38 10.994 -3.241 -11.403 310 HG1 THR 38 1HG THR 38 13.612 -2.308 -12.044 311 HG21 THR 38 3HG2 THR 38 10.876 -0.927 -12.194 312 HG22 THR 38 1HG2 THR 38 12.156 -0.473 -11.071 313 HG23 THR 38 2HG2 THR 38 10.595 -1.018 -10.455 314 H PHE 39 HN PHE 39 11.088 -4.938 -9.394 315 HA PHE 39 HA PHE 39 9.172 -3.772 -7.648 316 HB2 PHE 39 2HB PHE 39 8.932 -5.872 -9.084 317 HB3 PHE 39 1HB PHE 39 9.875 -6.700 -7.852 318 HD1 PHE 39 2HD PHE 39 6.726 -4.863 -8.445 319 HD2 PHE 39 1HD PHE 39 8.902 -7.431 -5.844 320 HE1 PHE 39 2HE PHE 39 4.688 -5.245 -7.122 321 HE2 PHE 39 1HE PHE 39 6.869 -7.817 -4.516 322 HZ PHE 39 HZ PHE 39 4.759 -6.724 -5.153 323 H ASN 40 HN ASN 40 12.207 -5.465 -7.258 324 HA ASN 40 HA ASN 40 12.110 -5.931 -4.488 325 HB2 ASN 40 2HB ASN 40 13.734 -7.049 -5.933 326 HB3 ASN 40 1HB ASN 40 14.501 -5.507 -6.294 327 HD21 ASN 40 1HD2 ASN 40 14.054 -7.998 -3.916 328 HD22 ASN 40 2HD2 ASN 40 15.314 -7.484 -2.853 329 H THR 41 HN THR 41 13.300 -3.158 -6.378 330 HA THR 41 HA THR 41 14.377 -1.759 -4.179 331 HB THR 41 HB THR 41 14.016 0.296 -5.710 332 HG1 THR 41 1HG THR 41 12.445 -1.140 -7.019 333 HG21 THR 41 3HG2 THR 41 15.718 -2.042 -6.574 334 HG22 THR 41 1HG2 THR 41 16.167 -0.780 -5.429 335 HG23 THR 41 2HG2 THR 41 15.922 -0.382 -7.128 336 H TRP 42 HN TRP 42 11.119 -2.132 -5.286 337 HA TRP 42 HA TRP 42 10.102 0.044 -3.674 338 HB2 TRP 42 2HB TRP 42 8.606 -2.224 -5.014 339 HB3 TRP 42 1HB TRP 42 7.892 -0.765 -4.339 340 HD1 TRP 42 1HD TRP 42 10.323 1.099 -5.716 341 HE1 TRP 42 1HE TRP 42 10.023 1.680 -8.202 342 HE3 TRP 42 3HE TRP 42 6.981 -2.552 -7.010 343 HZ2 TRP 42 2HZ TRP 42 8.560 0.726 -10.421 344 HZ3 TRP 42 3HZ TRP 42 6.181 -2.647 -9.337 345 HH2 TRP 42 2HH TRP 42 6.958 -1.041 -11.008 346 H CYS 43 HN CYS 43 10.382 -3.450 -3.513 347 HA CYS 43 HA CYS 43 8.966 -3.884 -1.110 348 HB2 CYS 43 2HB CYS 43 9.514 -5.683 -2.683 349 HB3 CYS 43 1HB CYS 43 11.228 -5.461 -2.365 350 HG CYS 43 HG CYS 43 10.261 -7.825 -1.140 351 H LYS 44 HN LYS 44 12.324 -3.098 -1.790 352 HA LYS 44 HA LYS 44 13.138 -3.263 0.963 353 HB2 LYS 44 2HB LYS 44 14.415 -2.625 -1.636 354 HB3 LYS 44 1HB LYS 44 15.141 -1.918 -0.204 355 HG2 LYS 44 2HG LYS 44 14.585 -4.855 -0.496 356 HG3 LYS 44 1HG LYS 44 16.118 -4.101 -0.942 357 HD2 LYS 44 2HD LYS 44 16.334 -3.258 1.369 358 HD3 LYS 44 1HD LYS 44 14.847 -4.107 1.794 359 HE2 LYS 44 2HE LYS 44 16.769 -5.418 2.456 360 HE3 LYS 44 1HE LYS 44 15.897 -6.232 1.160 361 HZ1 LYS 44 3HZ LYS 44 18.416 -4.679 0.900 362 HZ2 LYS 44 1HZ LYS 44 17.543 -5.308 -0.412 363 HZ3 LYS 44 2HZ LYS 44 18.232 -6.353 0.730 364 H GLY 45 HN GLY 45 11.291 -1.083 -0.674 365 HA2 GLY 45 2HA GLY 45 10.715 1.118 -0.349 366 HA3 GLY 45 1HA GLY 45 11.355 0.919 1.276 367 H ILE 46 HN ILE 46 12.993 0.771 -1.860 368 HA ILE 46 HA ILE 46 15.004 2.621 -0.860 369 HB ILE 46 HB ILE 46 14.885 1.105 -3.473 370 HG12 ILE 46 2HG1 ILE 46 16.496 0.599 -0.959 371 HG13 ILE 46 1HG1 ILE 46 15.118 -0.352 -1.499 372 HG21 ILE 46 1HG2 ILE 46 17.239 1.721 -3.725 373 HG22 ILE 46 2HG2 ILE 46 17.146 2.689 -2.252 374 HG23 ILE 46 3HG2 ILE 46 16.203 3.147 -3.671 375 HD11 ILE 46 3HD1 ILE 46 16.368 -1.019 -3.492 376 HD12 ILE 46 1HD1 ILE 46 17.196 -1.472 -1.999 377 HD13 ILE 46 2HD1 ILE 46 17.751 -0.077 -2.927 378 H ALA 47 HN ALA 47 12.583 2.393 -3.421 379 HA ALA 47 HA ALA 47 12.608 5.296 -3.671 380 HB1 ALA 47 1HB ALA 47 12.760 5.241 -6.106 381 HB2 ALA 47 2HB ALA 47 12.964 3.489 -6.063 382 HB3 ALA 47 3HB ALA 47 14.202 4.538 -5.371 383 H ILE 48 HN ILE 48 10.669 6.157 -4.418 384 HA ILE 48 HA ILE 48 8.425 4.281 -4.433 385 HB ILE 48 HB ILE 48 8.463 7.299 -4.269 386 HG12 ILE 48 2HG1 ILE 48 7.681 5.237 -2.201 387 HG13 ILE 48 1HG1 ILE 48 9.237 6.054 -2.249 388 HG21 ILE 48 1HG2 ILE 48 6.471 6.530 -5.446 389 HG22 ILE 48 2HG2 ILE 48 6.057 7.153 -3.848 390 HG23 ILE 48 3HG2 ILE 48 6.115 5.412 -4.132 391 HD11 ILE 48 3HD1 ILE 48 8.151 8.187 -1.876 392 HD12 ILE 48 1HD1 ILE 48 7.717 7.041 -0.608 393 HD13 ILE 48 2HD1 ILE 48 6.572 7.402 -1.903 394 HA PRO 49 HA PRO 49 8.331 4.456 -8.870 395 HB2 PRO 49 2HB PRO 49 5.986 3.116 -9.162 396 HB3 PRO 49 1HB PRO 49 7.511 2.310 -8.773 397 HG2 PRO 49 2HG PRO 49 5.289 3.133 -6.936 398 HG3 PRO 49 1HG PRO 49 6.193 1.606 -6.985 399 HD2 PRO 49 2HD PRO 49 6.766 3.543 -5.195 400 HD3 PRO 49 1HD PRO 49 8.028 2.512 -5.903 401 H ARG 50 HN ARG 50 7.130 5.499 -10.485 402 HA ARG 50 HA ARG 50 5.670 7.794 -9.692 403 HB2 ARG 50 2HB ARG 50 7.059 7.499 -11.796 404 HB3 ARG 50 1HB ARG 50 5.733 6.547 -12.444 405 HG2 ARG 50 2HG ARG 50 4.271 8.428 -12.420 406 HG3 ARG 50 1HG ARG 50 5.443 9.395 -11.520 407 HD2 ARG 50 2HD ARG 50 7.007 9.177 -13.436 408 HD3 ARG 50 1HD ARG 50 5.732 8.354 -14.334 409 HE ARG 50 HE ARG 50 4.457 10.420 -14.245 410 HH11 ARG 50 1HH1 ARG 50 7.826 10.644 -13.328 411 HH12 ARG 50 2HH1 ARG 50 7.968 12.312 -13.786 412 HH21 ARG 50 1HH2 ARG 50 4.638 12.623 -14.844 413 HH22 ARG 50 2HH2 ARG 50 6.157 13.446 -14.635 414 H MET 51 HN MET 51 3.433 8.271 -10.118 415 HA MET 51 HA MET 51 1.721 6.440 -8.984 416 HB2 MET 51 2HB MET 51 1.306 8.876 -9.174 417 HB3 MET 51 1HB MET 51 0.902 8.647 -10.871 418 HG2 MET 51 2HG MET 51 -0.963 7.214 -10.245 419 HG3 MET 51 1HG MET 51 -0.551 7.408 -8.543 420 HE1 MET 51 3HE MET 51 0.353 10.495 -8.591 421 HE2 MET 51 1HE MET 51 -0.628 9.813 -7.294 422 HE3 MET 51 2HE MET 51 -1.145 11.291 -8.102 423 H GLY 52 HN GLY 52 2.430 6.844 -12.411 424 HA2 GLY 52 2HA GLY 52 0.295 5.382 -13.484 425 HA3 GLY 52 1HA GLY 52 1.876 5.560 -14.229 426 H LYS 53 HN LYS 53 3.390 4.283 -12.176 427 HA LYS 53 HA LYS 53 2.847 1.527 -12.833 428 HB2 LYS 53 2HB LYS 53 5.092 3.049 -11.736 429 HB3 LYS 53 1HB LYS 53 4.874 1.485 -10.961 430 HG2 LYS 53 2HG LYS 53 6.431 1.496 -12.922 431 HG3 LYS 53 1HG LYS 53 5.109 0.331 -13.016 432 HD2 LYS 53 2HD LYS 53 3.852 1.967 -14.414 433 HD3 LYS 53 1HD LYS 53 5.285 2.998 -14.419 434 HE2 LYS 53 2HE LYS 53 5.241 0.148 -15.400 435 HE3 LYS 53 1HE LYS 53 5.032 1.553 -16.443 436 HZ1 LYS 53 3HZ LYS 53 7.216 2.303 -15.898 437 HZ2 LYS 53 1HZ LYS 53 7.322 0.684 -16.394 438 HZ3 LYS 53 2HZ LYS 53 7.425 1.078 -14.748 439 H VAL 54 HN VAL 54 2.423 3.652 -10.112 440 HA VAL 54 HA VAL 54 1.814 1.722 -8.148 441 HB VAL 54 HB VAL 54 0.729 4.540 -8.409 442 HG11 VAL 54 1HG1 VAL 54 -0.613 3.215 -6.869 443 HG12 VAL 54 2HG1 VAL 54 0.349 4.399 -5.982 444 HG13 VAL 54 3HG1 VAL 54 0.843 2.705 -6.012 445 HG21 VAL 54 3HG2 VAL 54 3.131 3.481 -6.916 446 HG22 VAL 54 1HG2 VAL 54 2.520 5.134 -6.827 447 HG23 VAL 54 2HG2 VAL 54 3.157 4.511 -8.349 448 H GLN 55 HN GLN 55 -0.072 3.228 -10.693 449 HA GLN 55 HA GLN 55 -2.647 2.418 -10.046 450 HB2 GLN 55 2HB GLN 55 -1.395 2.536 -12.800 451 HB3 GLN 55 1HB GLN 55 -3.119 2.493 -12.467 452 HG2 GLN 55 2HG GLN 55 -1.258 4.679 -11.577 453 HG3 GLN 55 1HG GLN 55 -2.270 4.738 -13.019 454 HE21 GLN 55 1HE2 GLN 55 -2.225 4.814 -9.541 455 HE22 GLN 55 2HE2 GLN 55 -3.847 5.385 -9.339 456 H ALA 56 HN ALA 56 -0.154 0.679 -11.875 457 HA ALA 56 HA ALA 56 -1.689 -1.615 -12.425 458 HB1 ALA 56 1HB ALA 56 0.431 -2.678 -12.992 459 HB2 ALA 56 2HB ALA 56 1.310 -1.365 -12.213 460 HB3 ALA 56 3HB ALA 56 0.346 -1.047 -13.657 461 H LEU 57 HN LEU 57 0.519 -0.829 -9.782 462 HA LEU 57 HA LEU 57 0.462 -3.321 -8.494 463 HB2 LEU 57 2HB LEU 57 0.836 -0.553 -7.342 464 HB3 LEU 57 1HB LEU 57 1.152 -2.042 -6.478 465 HG LEU 57 HG LEU 57 2.606 -1.141 -8.964 466 HD11 LEU 57 1HD1 LEU 57 3.481 -1.175 -6.075 467 HD12 LEU 57 2HD1 LEU 57 3.130 0.258 -7.042 468 HD13 LEU 57 3HD1 LEU 57 4.499 -0.774 -7.457 469 HD21 LEU 57 3HD2 LEU 57 3.127 -3.471 -7.114 470 HD22 LEU 57 1HD2 LEU 57 4.111 -2.996 -8.502 471 HD23 LEU 57 2HD2 LEU 57 2.463 -3.579 -8.747 472 H ALA 58 HN ALA 58 -1.453 -0.381 -7.923 473 HA ALA 58 HA ALA 58 -3.055 -1.433 -5.869 474 HB1 ALA 58 1HB ALA 58 -3.759 0.755 -7.824 475 HB2 ALA 58 2HB ALA 58 -2.837 0.971 -6.336 476 HB3 ALA 58 3HB ALA 58 -4.521 0.457 -6.261 477 H ASP 59 HN ASP 59 -3.438 -1.419 -9.368 478 HA ASP 59 HA ASP 59 -6.087 -2.405 -9.430 479 HB2 ASP 59 2HB ASP 59 -5.127 -1.337 -11.384 480 HB3 ASP 59 1HB ASP 59 -3.874 -2.571 -11.483 481 H TYR 60 HN TYR 60 -2.935 -3.984 -9.577 482 HA TYR 60 HA TYR 60 -3.849 -6.581 -10.117 483 HB2 TYR 60 2HB TYR 60 -1.476 -5.723 -10.278 484 HB3 TYR 60 1HB TYR 60 -1.378 -5.879 -8.529 485 HD1 TYR 60 1HD TYR 60 -2.442 -7.958 -11.445 486 HD2 TYR 60 2HD TYR 60 -0.361 -7.789 -7.740 487 HE1 TYR 60 1HE TYR 60 -1.777 -10.306 -11.720 488 HE2 TYR 60 2HE TYR 60 0.315 -10.138 -8.005 489 HH TYR 60 HH TYR 60 0.040 -11.803 -10.924 490 H PHE 61 HN PHE 61 -3.375 -4.857 -7.076 491 HA PHE 61 HA PHE 61 -4.160 -7.212 -5.543 492 HB2 PHE 61 2HB PHE 61 -3.220 -4.457 -4.754 493 HB3 PHE 61 1HB PHE 61 -3.826 -5.618 -3.581 494 HD1 PHE 61 2HD PHE 61 -2.594 -7.722 -3.182 495 HD2 PHE 61 1HD PHE 61 -1.041 -4.644 -5.675 496 HE1 PHE 61 2HE PHE 61 -0.350 -8.716 -3.003 497 HE2 PHE 61 1HE PHE 61 1.206 -5.626 -5.494 498 HZ PHE 61 HZ PHE 61 1.554 -7.665 -4.157 499 H ASN 62 HN ASN 62 -5.727 -4.864 -7.196 500 HA ASN 62 HA ASN 62 -7.785 -3.944 -7.217 501 HB2 ASN 62 2HB ASN 62 -8.357 -6.337 -5.467 502 HB3 ASN 62 1HB ASN 62 -9.605 -5.247 -6.053 503 HD21 ASN 62 1HD2 ASN 62 -9.327 -8.060 -6.568 504 HD22 ASN 62 2HD2 ASN 62 -9.165 -8.237 -8.288 505 H ILE 63 HN ILE 63 -5.952 -2.867 -5.368 506 HA ILE 63 HA ILE 63 -7.737 -2.026 -3.173 507 HB ILE 63 HB ILE 63 -5.693 -1.349 -1.947 508 HG12 ILE 63 2HG1 ILE 63 -4.231 -2.797 -4.167 509 HG13 ILE 63 1HG1 ILE 63 -4.231 -1.054 -3.923 510 HG21 ILE 63 1HG2 ILE 63 -6.732 -3.493 -1.486 511 HG22 ILE 63 2HG2 ILE 63 -4.979 -3.605 -1.323 512 HG23 ILE 63 3HG2 ILE 63 -5.774 -4.249 -2.759 513 HD11 ILE 63 3HD1 ILE 63 -3.127 -1.361 -1.766 514 HD12 ILE 63 1HD1 ILE 63 -2.189 -2.062 -3.084 515 HD13 ILE 63 2HD1 ILE 63 -3.127 -3.105 -2.016 516 H ASN 64 HN ASN 64 -6.726 0.263 -2.342 517 HA ASN 64 HA ASN 64 -7.047 2.038 -4.644 518 HB2 ASN 64 2HB ASN 64 -6.761 2.908 -1.768 519 HB3 ASN 64 1HB ASN 64 -7.543 3.763 -3.090 520 HD21 ASN 64 1HD2 ASN 64 -7.837 1.306 -0.684 521 HD22 ASN 64 2HD2 ASN 64 -9.551 1.068 -0.835 522 H LYS 65 HN LYS 65 -5.485 3.718 -5.086 523 HA LYS 65 HA LYS 65 -2.795 2.924 -4.712 524 HB2 LYS 65 2HB LYS 65 -2.173 5.063 -5.714 525 HB3 LYS 65 1HB LYS 65 -3.469 4.300 -6.619 526 HG2 LYS 65 2HG LYS 65 -5.086 5.813 -5.701 527 HG3 LYS 65 1HG LYS 65 -3.883 6.497 -4.604 528 HD2 LYS 65 2HD LYS 65 -2.606 7.332 -6.504 529 HD3 LYS 65 1HD LYS 65 -3.762 6.602 -7.618 530 HE2 LYS 65 2HE LYS 65 -4.396 8.764 -5.608 531 HE3 LYS 65 1HE LYS 65 -4.123 9.023 -7.329 532 HZ1 LYS 65 3HZ LYS 65 -6.348 7.523 -6.063 533 HZ2 LYS 65 1HZ LYS 65 -6.024 7.483 -7.731 534 HZ3 LYS 65 2HZ LYS 65 -6.444 8.944 -6.981 535 H SER 66 HN SER 66 -4.938 4.961 -2.910 536 HA SER 66 HA SER 66 -3.025 6.323 -1.346 537 HB2 SER 66 2HB SER 66 -5.876 5.629 -0.608 538 HB3 SER 66 1HB SER 66 -4.895 6.928 0.070 539 HG SER 66 HG SER 66 -4.776 7.708 -2.200 540 H ASP 67 HN ASP 67 -4.183 3.069 -1.224 541 HA ASP 67 HA ASP 67 -3.689 2.487 1.490 542 HB2 ASP 67 2HB ASP 67 -3.745 0.814 -1.006 543 HB3 ASP 67 1HB ASP 67 -3.204 0.108 0.510 544 H LEU 68 HN LEU 68 -1.600 2.860 -1.249 545 HA LEU 68 HA LEU 68 0.701 1.821 0.207 546 HB2 LEU 68 2HB LEU 68 0.508 2.937 -2.593 547 HB3 LEU 68 1HB LEU 68 1.902 2.132 -1.900 548 HG LEU 68 HG LEU 68 -0.775 0.858 -2.469 549 HD11 LEU 68 1HD1 LEU 68 1.910 0.497 -3.793 550 HD12 LEU 68 2HD1 LEU 68 0.518 1.329 -4.484 551 HD13 LEU 68 3HD1 LEU 68 0.442 -0.403 -4.165 552 HD21 LEU 68 3HD2 LEU 68 0.257 -0.110 -0.491 553 HD22 LEU 68 1HD2 LEU 68 1.766 -0.345 -1.374 554 HD23 LEU 68 2HD2 LEU 68 0.321 -1.241 -1.845 555 H ILE 69 HN ILE 69 -0.854 4.774 -0.429 556 HA ILE 69 HA ILE 69 1.599 6.334 -0.024 557 HB ILE 69 HB ILE 69 -1.051 7.392 -1.031 558 HG12 ILE 69 2HG1 ILE 69 1.337 6.433 -2.631 559 HG13 ILE 69 1HG1 ILE 69 -0.212 5.606 -2.520 560 HG21 ILE 69 1HG2 ILE 69 0.460 9.100 -0.184 561 HG22 ILE 69 2HG2 ILE 69 0.355 9.208 -1.942 562 HG23 ILE 69 3HG2 ILE 69 1.769 8.469 -1.185 563 HD11 ILE 69 3HD1 ILE 69 -0.008 6.826 -4.604 564 HD12 ILE 69 1HD1 ILE 69 0.255 8.325 -3.714 565 HD13 ILE 69 2HD1 ILE 69 -1.298 7.499 -3.607 566 H GLU 70 HN GLU 70 -0.620 5.043 1.900 567 HA GLU 70 HA GLU 70 -1.873 6.954 3.385 568 HB2 GLU 70 2HB GLU 70 -0.539 4.426 4.318 569 HB3 GLU 70 1HB GLU 70 -1.528 5.423 5.351 570 HG2 GLU 70 2HG GLU 70 -3.349 5.103 3.565 571 HG3 GLU 70 1HG GLU 70 -2.338 3.770 3.007 572 H ASP 71 HN ASP 71 -1.435 8.077 5.249 573 HA ASP 71 HA ASP 71 1.341 8.394 6.119 574 HB2 ASP 71 2HB ASP 71 0.769 10.125 4.347 575 HB3 ASP 71 1HB ASP 71 -0.424 10.766 5.471 576 H LYS 72 HN LYS 72 1.485 8.793 8.319 577 HA LYS 72 HA LYS 72 -1.099 8.900 9.712 578 HB2 LYS 72 2HB LYS 72 1.423 7.429 10.368 579 HB3 LYS 72 1HB LYS 72 0.283 7.850 11.641 580 HG2 LYS 72 2HG LYS 72 -0.308 6.197 9.196 581 HG3 LYS 72 1HG LYS 72 -0.126 5.602 10.848 582 HD2 LYS 72 2HD LYS 72 -2.248 7.541 9.916 583 HD3 LYS 72 1HD LYS 72 -2.491 5.814 10.169 584 HE2 LYS 72 2HE LYS 72 -1.991 6.051 12.523 585 HE3 LYS 72 1HE LYS 72 -1.599 7.755 12.302 586 HZ1 LYS 72 3HZ LYS 72 -3.816 8.292 11.937 587 HZ2 LYS 72 1HZ LYS 72 -3.891 7.168 13.201 588 HZ3 LYS 72 2HZ LYS 72 -4.272 6.693 11.616 589 H LYS 73 HN LYS 73 1.080 11.013 8.889 590 HA LYS 73 HA LYS 73 1.302 12.363 11.440 591 HB2 LYS 73 2HB LYS 73 3.132 12.552 9.861 592 HB3 LYS 73 1HB LYS 73 2.044 13.089 8.598 593 HG2 LYS 73 2HG LYS 73 2.134 14.773 11.006 594 HG3 LYS 73 1HG LYS 73 3.599 14.706 10.029 595 HD2 LYS 73 2HD LYS 73 2.324 15.324 8.047 596 HD3 LYS 73 1HD LYS 73 0.842 15.354 9.001 597 HE2 LYS 73 2HE LYS 73 1.705 17.187 10.330 598 HE3 LYS 73 1HE LYS 73 3.239 17.127 9.462 599 HZ1 LYS 73 3HZ LYS 73 1.903 18.879 8.558 600 HZ2 LYS 73 1HZ LYS 73 0.585 17.831 8.330 601 HZ3 LYS 73 2HZ LYS 73 1.994 17.633 7.411 602 H LEU 74 HN LEU 74 -1.062 11.686 9.443 603 HA LEU 74 HA LEU 74 -2.489 14.200 9.522 604 HB2 LEU 74 2HB LEU 74 -3.314 11.507 8.426 605 HB3 LEU 74 1HB LEU 74 -4.165 13.017 8.212 606 HG LEU 74 HG LEU 74 -1.440 12.374 7.101 607 HD11 LEU 74 1HD1 LEU 74 -4.109 12.677 5.734 608 HD12 LEU 74 2HD1 LEU 74 -3.231 11.167 5.971 609 HD13 LEU 74 3HD1 LEU 74 -2.561 12.424 4.929 610 HD21 LEU 74 3HD2 LEU 74 -1.654 14.503 5.911 611 HD22 LEU 74 1HD2 LEU 74 -1.656 14.740 7.659 612 HD23 LEU 74 2HD2 LEU 74 -3.167 14.823 6.756 613 H ASN 75 HN ASN 75 -2.764 14.403 11.698 614 HA ASN 75 HA ASN 75 -3.829 14.257 13.701 615 HB2 ASN 75 2HB ASN 75 -5.845 13.558 12.257 616 HB3 ASN 75 1HB ASN 75 -5.437 11.903 12.699 617 HD21 ASN 75 1HD2 ASN 75 -7.804 13.486 13.293 618 HD22 ASN 75 2HD2 ASN 75 -7.949 13.512 15.016 619 H ILE 76 HN ILE 76 -2.357 13.638 15.105 620 HA ILE 76 HA ILE 76 -0.786 11.296 14.692 621 HB ILE 76 HB ILE 76 -0.756 13.194 17.037 622 HG12 ILE 76 2HG1 ILE 76 0.908 13.194 14.506 623 HG13 ILE 76 1HG1 ILE 76 -0.385 14.330 14.871 624 HG21 ILE 76 1HG2 ILE 76 1.504 12.367 17.422 625 HG22 ILE 76 2HG2 ILE 76 1.340 11.259 16.059 626 HG23 ILE 76 3HG2 ILE 76 0.332 11.050 17.492 627 HD11 ILE 76 3HD1 ILE 76 2.175 14.020 16.411 628 HD12 ILE 76 1HD1 ILE 76 0.885 15.167 16.768 629 HD13 ILE 76 2HD1 ILE 76 1.795 15.307 15.265 630 H ASP 77 HN ASP 77 -0.907 9.391 15.567 631 HA ASP 77 HA ASP 77 -2.323 8.991 18.095 632 HB2 ASP 77 2HB ASP 77 -3.915 8.272 16.394 633 HB3 ASP 77 1HB ASP 77 -2.683 7.283 15.618 634 H THR 78 HN THR 78 -0.591 8.655 19.269 635 HA THR 78 HA THR 78 1.919 8.021 18.430 636 HB THR 78 HB THR 78 2.309 7.335 20.874 637 HG1 THR 78 1HG THR 78 -0.263 7.110 20.885 638 HG21 THR 78 3HG2 THR 78 2.092 9.663 21.637 639 HG22 THR 78 1HG2 THR 78 1.117 10.033 20.218 640 HG23 THR 78 2HG2 THR 78 2.808 9.568 20.029 641 H VAL 79 HN VAL 79 2.428 6.295 17.260 642 HA VAL 79 HA VAL 79 2.040 3.665 18.530 643 HB VAL 79 HB VAL 79 1.045 3.642 16.339 644 HG11 VAL 79 1HG1 VAL 79 2.190 5.521 15.321 645 HG12 VAL 79 2HG1 VAL 79 2.321 4.090 14.296 646 HG13 VAL 79 3HG1 VAL 79 3.695 4.601 15.276 647 HG21 VAL 79 3HG2 VAL 79 3.703 2.225 16.313 648 HG22 VAL 79 1HG2 VAL 79 2.342 1.853 15.255 649 HG23 VAL 79 2HG2 VAL 79 2.197 1.613 16.997 650 HA PRO 80 HA PRO 80 6.367 4.892 19.183 651 HB2 PRO 80 2HB PRO 80 6.678 3.763 21.599 652 HB3 PRO 80 1HB PRO 80 5.802 5.283 21.378 653 HG2 PRO 80 2HG PRO 80 4.732 2.518 21.753 654 HG3 PRO 80 1HG PRO 80 4.152 4.046 22.436 655 HD2 PRO 80 2HD PRO 80 3.030 2.806 20.259 656 HD3 PRO 80 1HD PRO 80 2.926 4.548 20.580 657 H ILE 81 HN ILE 81 8.145 3.872 18.534 658 HA ILE 81 HA ILE 81 8.236 0.934 18.700 659 HB ILE 81 HB ILE 81 9.997 2.708 17.005 660 HG12 ILE 81 2HG1 ILE 81 8.666 1.494 15.108 661 HG13 ILE 81 1HG1 ILE 81 7.441 1.262 16.350 662 HG21 ILE 81 1HG2 ILE 81 10.605 0.583 15.891 663 HG22 ILE 81 2HG2 ILE 81 9.657 -0.283 17.102 664 HG23 ILE 81 3HG2 ILE 81 11.076 0.645 17.590 665 HD11 ILE 81 3HD1 ILE 81 8.518 3.897 15.378 666 HD12 ILE 81 1HD1 ILE 81 7.327 3.691 16.660 667 HD13 ILE 81 2HD1 ILE 81 6.942 3.200 15.012 668 H GLU 82 HN GLU 82 9.623 0.074 20.092 669 HA GLU 82 HA GLU 82 11.304 1.870 21.630 670 HB2 GLU 82 2HB GLU 82 10.677 -1.065 21.972 671 HB3 GLU 82 1HB GLU 82 11.736 -0.152 23.041 672 HG2 GLU 82 2HG GLU 82 9.885 1.339 23.609 673 HG3 GLU 82 1HG GLU 82 8.823 0.421 22.541 674 H SER 83 HN SER 83 12.719 2.358 19.903 675 HA SER 83 HA SER 83 14.977 0.532 19.811 676 HB2 SER 83 2HB SER 83 13.661 1.613 17.301 677 HB3 SER 83 1HB SER 83 15.180 0.722 17.355 678 HG SER 83 HG SER 83 13.229 -0.614 18.666 679 H GLY 84 HN GLY 84 16.463 2.001 17.896 680 HA2 GLY 84 2HA GLY 84 17.059 4.313 19.568 681 HA3 GLY 84 1HA GLY 84 18.100 3.630 18.328 682 H TYR 85 HN TYR 85 15.917 6.105 19.092 683 HA TYR 85 HA TYR 85 15.368 6.828 16.339 684 HB2 TYR 85 2HB TYR 85 14.875 8.246 18.963 685 HB3 TYR 85 1HB TYR 85 14.497 8.963 17.403 686 HD1 TYR 85 2HD TYR 85 12.897 7.599 15.871 687 HD2 TYR 85 1HD TYR 85 13.280 6.954 20.059 688 HE1 TYR 85 2HE TYR 85 10.684 6.525 15.903 689 HE2 TYR 85 1HE TYR 85 11.070 5.879 20.100 690 HH TYR 85 HH TYR 85 8.966 5.953 18.720 691 H THR 86 HN THR 86 17.702 6.718 15.823 692 HA THR 86 HA THR 86 19.491 8.689 16.830 693 HB THR 86 HB THR 86 19.748 7.234 14.196 694 HG1 THR 86 1HG THR 86 20.192 6.322 16.863 695 HG21 THR 86 3HG2 THR 86 21.795 8.243 16.175 696 HG22 THR 86 1HG2 THR 86 21.401 8.987 14.626 697 HG23 THR 86 2HG2 THR 86 22.148 7.391 14.673 698 H LEU 87 HN LEU 87 19.241 10.798 16.453 699 HA LEU 87 HA LEU 87 17.743 11.686 14.137 700 HB2 LEU 87 2HB LEU 87 18.936 13.260 16.418 701 HB3 LEU 87 1HB LEU 87 17.884 13.910 15.175 702 HG LEU 87 HG LEU 87 17.132 11.854 17.252 703 HD11 LEU 87 1HD1 LEU 87 17.344 14.094 18.157 704 HD12 LEU 87 2HD1 LEU 87 15.649 13.608 18.088 705 HD13 LEU 87 3HD1 LEU 87 16.297 14.724 16.885 706 HD21 LEU 87 3HD2 LEU 87 14.865 12.062 16.363 707 HD22 LEU 87 1HD2 LEU 87 15.978 11.420 15.156 708 HD23 LEU 87 2HD2 LEU 87 15.466 13.105 15.075 709 H GLU 88 HN GLU 88 18.980 11.522 12.354 710 HA GLU 88 HA GLU 88 21.706 12.354 12.216 711 HB2 GLU 88 2HB GLU 88 20.267 10.757 10.663 712 HB3 GLU 88 1HB GLU 88 19.919 12.251 9.808 713 HG2 GLU 88 2HG GLU 88 22.688 11.190 10.333 714 HG3 GLU 88 1HG GLU 88 21.780 10.943 8.842 715 H HIS 89 HN HIS 89 22.530 14.349 11.409 716 HA HIS 89 HA HIS 89 20.544 16.485 11.193 717 HB2 HIS 89 2HB HIS 89 21.871 17.879 12.826 718 HB3 HIS 89 1HB HIS 89 20.959 16.548 13.522 719 HD1 HIS 89 1HD HIS 89 24.302 17.994 13.370 720 HD2 HIS 89 2HD HIS 89 22.648 14.278 14.250 721 HE1 HIS 89 1HE HIS 89 26.092 16.725 14.611 722 HE2 HIS 89 2HE HIS 89 25.048 14.504 15.189 723 H HIS 90 HN HIS 90 20.928 17.419 9.372 724 HA HIS 90 HA HIS 90 23.693 18.200 8.706 725 HB2 HIS 90 2HB HIS 90 21.366 17.451 6.938 726 HB3 HIS 90 1HB HIS 90 22.687 18.441 6.325 727 HD1 HIS 90 1HD HIS 90 22.843 16.214 4.699 728 HD2 HIS 90 2HD HIS 90 24.138 15.841 8.631 729 HE1 HIS 90 1HE HIS 90 24.280 14.150 4.750 730 HE2 HIS 90 2HE HIS 90 24.888 13.852 7.176 731 H HIS 91 HN HIS 91 22.887 20.086 6.688 732 HA HIS 91 HA HIS 91 21.969 22.209 8.493 733 HB2 HIS 91 2HB HIS 91 23.394 22.346 5.832 734 HB3 HIS 91 1HB HIS 91 22.849 23.755 6.733 735 HD1 HIS 91 1HD HIS 91 25.856 22.922 5.993 736 HD2 HIS 91 2HD HIS 91 23.980 22.575 9.687 737 HE1 HIS 91 1HE HIS 91 27.708 22.882 7.694 738 HE2 HIS 91 2HE HIS 91 26.534 22.897 9.928 739 H HIS 92 HN HIS 92 20.714 23.980 7.396 740 HA HIS 92 HA HIS 92 18.409 22.804 6.097 741 HB2 HIS 92 2HB HIS 92 18.314 24.590 7.918 742 HB3 HIS 92 1HB HIS 92 18.870 25.729 6.695 743 HD1 HIS 92 1HD HIS 92 15.892 23.770 7.778 744 HD2 HIS 92 2HD HIS 92 16.953 26.405 4.739 745 HE1 HIS 92 1HE HIS 92 13.734 24.440 6.675 746 HE2 HIS 92 2HE HIS 92 14.384 26.200 4.997 747 H HIS 93 HN HIS 93 18.421 22.496 3.994 748 HA HIS 93 HA HIS 93 20.236 23.948 2.273 749 HB2 HIS 93 2HB HIS 93 19.741 21.472 2.057 750 HB3 HIS 93 1HB HIS 93 18.141 21.914 1.475 751 HD1 HIS 93 1HD HIS 93 17.952 22.739 -0.949 752 HD2 HIS 93 2HD HIS 93 21.859 22.007 0.265 753 HE1 HIS 93 1HE HIS 93 19.338 22.815 -3.046 754 HE2 HIS 93 2HE HIS 93 21.719 22.493 -2.272 755 H HIS 94 HN HIS 94 19.700 25.460 0.787 756 HA HIS 94 HA HIS 94 16.877 26.081 0.367 757 HB2 HIS 94 2HB HIS 94 17.228 28.476 0.656 758 HB3 HIS 94 1HB HIS 94 17.658 27.630 2.130 759 HD1 HIS 94 1HD HIS 94 18.735 30.406 0.396 760 HD2 HIS 94 2HD HIS 94 20.756 27.054 1.807 761 HE1 HIS 94 1HE HIS 94 21.152 31.085 0.557 762 HE2 HIS 94 2HE HIS 94 22.378 28.975 1.193 Start of MODEL 9 1 H1 MET 1 H1 MET 1 13.992 5.469 12.470 2 H2 MET 1 H2 MET 1 15.123 6.274 13.433 3 H3 MET 1 H3 MET 1 15.227 4.595 13.236 4 HA MET 1 HA MET 1 16.888 5.713 11.927 5 HB2 MET 1 2HB MET 1 16.345 4.753 9.712 6 HB3 MET 1 1HB MET 1 16.010 3.633 11.023 7 HG2 MET 1 2HG MET 1 13.892 5.333 9.732 8 HG3 MET 1 1HG MET 1 14.310 3.717 9.173 9 HE1 MET 1 2HE MET 1 13.967 1.515 10.594 10 HE2 MET 1 3HE MET 1 13.330 1.494 12.243 11 HE3 MET 1 1HE MET 1 14.916 2.194 11.916 12 H VAL 2 HN VAL 2 17.490 7.298 10.486 13 HA VAL 2 HA VAL 2 15.692 9.566 10.441 14 HB VAL 2 HB VAL 2 17.608 10.834 9.567 15 HG11 VAL 2 1HG1 VAL 2 17.335 10.612 11.968 16 HG12 VAL 2 2HG1 VAL 2 19.049 10.625 11.543 17 HG13 VAL 2 3HG1 VAL 2 18.252 9.104 11.954 18 HG21 VAL 2 3HG2 VAL 2 19.809 9.769 9.368 19 HG22 VAL 2 1HG2 VAL 2 18.651 9.091 8.222 20 HG23 VAL 2 2HG2 VAL 2 19.071 8.196 9.684 21 H LYS 3 HN LYS 3 15.778 7.040 8.478 22 HA LYS 3 HA LYS 3 15.916 8.401 5.949 23 HB2 LYS 3 2HB LYS 3 15.409 5.575 6.769 24 HB3 LYS 3 1HB LYS 3 14.945 6.096 5.155 25 HG2 LYS 3 2HG LYS 3 17.296 6.915 4.851 26 HG3 LYS 3 1HG LYS 3 17.694 6.118 6.375 27 HD2 LYS 3 2HD LYS 3 17.131 3.979 5.489 28 HD3 LYS 3 1HD LYS 3 16.439 4.698 4.034 29 HE2 LYS 3 2HE LYS 3 18.652 5.529 3.398 30 HE3 LYS 3 1HE LYS 3 19.342 4.804 4.849 31 HZ1 LYS 3 3HZ LYS 3 18.696 2.634 4.041 32 HZ2 LYS 3 1HZ LYS 3 19.681 3.413 2.903 33 HZ3 LYS 3 2HZ LYS 3 18.004 3.315 2.651 34 H ASP 4 HN ASP 4 13.956 7.446 4.439 35 HA ASP 4 HA ASP 4 11.953 9.349 4.900 36 HB2 ASP 4 2HB ASP 4 11.751 6.962 3.064 37 HB3 ASP 4 1HB ASP 4 10.909 8.500 2.912 38 H LYS 5 HN LYS 5 10.469 9.253 6.420 39 HA LYS 5 HA LYS 5 9.456 6.888 7.608 40 HB2 LYS 5 2HB LYS 5 9.398 8.952 8.849 41 HB3 LYS 5 1HB LYS 5 8.470 9.747 7.590 42 HG2 LYS 5 2HG LYS 5 7.042 9.252 9.460 43 HG3 LYS 5 1HG LYS 5 6.572 8.258 8.080 44 HD2 LYS 5 2HD LYS 5 7.705 6.343 9.023 45 HD3 LYS 5 1HD LYS 5 8.322 7.328 10.355 46 HE2 LYS 5 2HE LYS 5 6.033 7.743 11.110 47 HE3 LYS 5 1HE LYS 5 5.411 6.761 9.782 48 HZ1 LYS 5 3HZ LYS 5 6.424 4.826 10.709 49 HZ2 LYS 5 1HZ LYS 5 5.553 5.588 11.953 50 HZ3 LYS 5 2HZ LYS 5 7.245 5.735 11.882 51 H GLN 6 HN GLN 6 8.219 9.099 5.140 52 HA GLN 6 HA GLN 6 5.699 7.897 4.783 53 HB2 GLN 6 2HB GLN 6 6.363 10.157 3.947 54 HB3 GLN 6 1HB GLN 6 7.347 9.372 2.719 55 HG2 GLN 6 2HG GLN 6 5.296 10.037 1.714 56 HG3 GLN 6 1HG GLN 6 5.295 8.280 1.853 57 HE21 GLN 6 1HE2 GLN 6 3.919 11.244 3.008 58 HE22 GLN 6 2HE2 GLN 6 2.571 10.537 3.830 59 H LYS 7 HN LYS 7 8.803 7.378 3.181 60 HA LYS 7 HA LYS 7 7.814 5.496 1.289 61 HB2 LYS 7 2HB LYS 7 9.868 6.885 1.001 62 HB3 LYS 7 1HB LYS 7 10.659 5.908 2.221 63 HG2 LYS 7 2HG LYS 7 11.013 4.191 0.815 64 HG3 LYS 7 1HG LYS 7 9.470 4.412 -0.013 65 HD2 LYS 7 2HD LYS 7 11.463 4.862 -1.444 66 HD3 LYS 7 1HD LYS 7 10.350 6.222 -1.312 67 HE2 LYS 7 2HE LYS 7 12.584 7.057 -1.138 68 HE3 LYS 7 1HE LYS 7 11.818 7.186 0.442 69 HZ1 LYS 7 3HZ LYS 7 12.954 4.936 0.877 70 HZ2 LYS 7 1HZ LYS 7 13.899 6.347 0.918 71 HZ3 LYS 7 2HZ LYS 7 13.932 5.331 -0.443 72 H ALA 8 HN ALA 8 9.194 5.284 4.498 73 HA ALA 8 HA ALA 8 9.527 2.481 4.607 74 HB1 ALA 8 1HB ALA 8 10.514 3.966 6.278 75 HB2 ALA 8 2HB ALA 8 9.502 2.740 7.038 76 HB3 ALA 8 3HB ALA 8 8.903 4.389 6.861 77 H ILE 9 HN ILE 9 6.797 4.590 5.416 78 HA ILE 9 HA ILE 9 5.032 2.568 6.257 79 HB ILE 9 HB ILE 9 4.438 5.233 4.958 80 HG12 ILE 9 2HG1 ILE 9 4.359 4.387 7.862 81 HG13 ILE 9 1HG1 ILE 9 5.646 5.329 7.118 82 HG21 ILE 9 1HG2 ILE 9 2.173 5.002 5.860 83 HG22 ILE 9 2HG2 ILE 9 2.556 3.365 6.391 84 HG23 ILE 9 3HG2 ILE 9 2.538 3.752 4.669 85 HD11 ILE 9 3HD1 ILE 9 2.775 6.174 7.425 86 HD12 ILE 9 1HD1 ILE 9 4.044 7.115 6.644 87 HD13 ILE 9 2HD1 ILE 9 4.150 6.750 8.365 88 H PHE 10 HN PHE 10 5.401 4.136 3.087 89 HA PHE 10 HA PHE 10 3.477 2.734 1.678 90 HB2 PHE 10 2HB PHE 10 4.589 4.667 0.735 91 HB3 PHE 10 1HB PHE 10 6.133 3.822 0.722 92 HD1 PHE 10 1HD PHE 10 2.719 3.766 -0.737 93 HD2 PHE 10 2HD PHE 10 6.783 2.576 -1.143 94 HE1 PHE 10 1HE PHE 10 2.259 2.987 -3.026 95 HE2 PHE 10 2HE PHE 10 6.331 1.794 -3.431 96 HZ PHE 10 HZ PHE 10 4.068 2.000 -4.374 97 H SER 11 HN SER 11 6.912 1.896 2.091 98 HA SER 11 HA SER 11 6.783 -0.438 0.510 99 HB2 SER 11 2HB SER 11 8.962 -1.024 1.665 100 HB3 SER 11 1HB SER 11 8.933 0.538 0.847 101 HG SER 11 HG SER 11 8.767 1.562 2.790 102 H GLU 12 HN GLU 12 6.504 0.076 4.016 103 HA GLU 12 HA GLU 12 6.355 -2.648 4.727 104 HB2 GLU 12 2HB GLU 12 6.762 -0.833 6.351 105 HB3 GLU 12 1HB GLU 12 5.110 -0.271 6.122 106 HG2 GLU 12 2HG GLU 12 4.273 -2.404 6.986 107 HG3 GLU 12 1HG GLU 12 5.933 -2.941 7.243 108 H ASN 13 HN ASN 13 3.829 -0.260 4.008 109 HA ASN 13 HA ASN 13 1.601 -1.914 4.358 110 HB2 ASN 13 2HB ASN 13 2.118 0.536 2.705 111 HB3 ASN 13 1HB ASN 13 0.590 -0.322 2.544 112 HD21 ASN 13 1HD2 ASN 13 -0.518 1.462 3.316 113 HD22 ASN 13 2HD2 ASN 13 -0.521 1.887 4.990 114 H LEU 14 HN LEU 14 3.327 -1.125 1.346 115 HA LEU 14 HA LEU 14 1.870 -2.818 -0.337 116 HB2 LEU 14 2HB LEU 14 3.383 -1.042 -1.125 117 HB3 LEU 14 1HB LEU 14 4.762 -1.965 -0.565 118 HG LEU 14 HG LEU 14 4.202 -3.749 -2.198 119 HD11 LEU 14 1HD1 LEU 14 2.145 -1.773 -3.184 120 HD12 LEU 14 2HD1 LEU 14 1.802 -3.304 -2.380 121 HD13 LEU 14 3HD1 LEU 14 2.584 -3.294 -3.959 122 HD21 LEU 14 3HD2 LEU 14 4.909 -2.498 -4.191 123 HD22 LEU 14 1HD2 LEU 14 5.852 -2.059 -2.763 124 HD23 LEU 14 2HD2 LEU 14 4.578 -0.984 -3.346 125 H ASN 15 HN ASN 15 4.838 -3.409 1.503 126 HA ASN 15 HA ASN 15 5.472 -5.954 0.569 127 HB2 ASN 15 2HB ASN 15 6.907 -4.539 2.049 128 HB3 ASN 15 1HB ASN 15 5.841 -4.933 3.393 129 HD21 ASN 15 1HD2 ASN 15 8.322 -6.062 1.282 130 HD22 ASN 15 2HD2 ASN 15 8.648 -7.538 2.107 131 H SER 16 HN SER 16 3.135 -4.935 2.964 132 HA SER 16 HA SER 16 2.631 -7.381 4.222 133 HB2 SER 16 2HB SER 16 0.639 -5.155 3.723 134 HB3 SER 16 1HB SER 16 0.554 -6.380 4.989 135 HG SER 16 HG SER 16 2.561 -4.377 4.718 136 H TYR 17 HN TYR 17 1.195 -5.918 1.334 137 HA TYR 17 HA TYR 17 -0.701 -8.023 0.937 138 HB2 TYR 17 2HB TYR 17 0.290 -5.959 -1.043 139 HB3 TYR 17 1HB TYR 17 -1.151 -6.951 -1.215 140 HD1 TYR 17 2HD TYR 17 -3.062 -6.598 0.413 141 HD2 TYR 17 1HD TYR 17 0.221 -3.914 0.109 142 HE1 TYR 17 2HE TYR 17 -4.396 -4.853 1.523 143 HE2 TYR 17 1HE TYR 17 -1.099 -2.163 1.215 144 HH TYR 17 HH TYR 17 -3.356 -1.560 1.656 145 H ILE 18 HN ILE 18 2.510 -7.275 -0.265 146 HA ILE 18 HA ILE 18 2.614 -9.176 -2.348 147 HB ILE 18 HB ILE 18 4.910 -8.074 -0.710 148 HG12 ILE 18 2HG1 ILE 18 3.879 -7.098 -3.375 149 HG13 ILE 18 1HG1 ILE 18 3.422 -6.368 -1.839 150 HG21 ILE 18 1HG2 ILE 18 6.278 -8.610 -2.671 151 HG22 ILE 18 2HG2 ILE 18 4.872 -9.342 -3.444 152 HG23 ILE 18 3HG2 ILE 18 5.537 -10.052 -1.973 153 HD11 ILE 18 3HD1 ILE 18 5.188 -5.099 -2.894 154 HD12 ILE 18 1HD1 ILE 18 6.206 -6.538 -2.977 155 HD13 ILE 18 2HD1 ILE 18 5.784 -5.843 -1.410 156 H ALA 19 HN ALA 19 3.808 -9.311 0.997 157 HA ALA 19 HA ALA 19 4.775 -11.991 0.687 158 HB1 ALA 19 1HB ALA 19 4.431 -10.346 3.187 159 HB2 ALA 19 2HB ALA 19 5.871 -10.387 2.165 160 HB3 ALA 19 3HB ALA 19 5.365 -11.834 3.035 161 H LYS 20 HN LYS 20 1.713 -10.759 1.150 162 HA LYS 20 HA LYS 20 0.775 -12.950 2.834 163 HB2 LYS 20 2HB LYS 20 -0.005 -10.390 2.720 164 HB3 LYS 20 1HB LYS 20 -1.111 -11.056 1.533 165 HG2 LYS 20 2HG LYS 20 -1.957 -12.634 3.183 166 HG3 LYS 20 1HG LYS 20 -0.839 -11.986 4.385 167 HD2 LYS 20 2HD LYS 20 -1.921 -9.762 4.082 168 HD3 LYS 20 1HD LYS 20 -3.106 -10.535 3.028 169 HE2 LYS 20 2HE LYS 20 -4.014 -10.314 5.254 170 HE3 LYS 20 1HE LYS 20 -3.757 -12.015 4.875 171 HZ1 LYS 20 3HZ LYS 20 -1.822 -12.063 6.233 172 HZ2 LYS 20 1HZ LYS 20 -3.049 -11.331 7.145 173 HZ3 LYS 20 2HZ LYS 20 -1.831 -10.379 6.443 174 H SER 21 HN SER 21 1.200 -12.192 -0.427 175 HA SER 21 HA SER 21 -0.978 -13.874 -1.379 176 HB2 SER 21 2HB SER 21 -0.487 -11.731 -2.514 177 HB3 SER 21 1HB SER 21 1.119 -12.338 -2.935 178 HG SER 21 HG SER 21 -0.711 -12.543 -4.525 179 H GLU 22 HN GLU 22 -0.657 -15.667 -2.747 180 HA GLU 22 HA GLU 22 1.713 -17.234 -2.235 181 HB2 GLU 22 2HB GLU 22 -0.713 -17.734 -3.972 182 HB3 GLU 22 1HB GLU 22 0.579 -18.900 -3.720 183 HG2 GLU 22 2HG GLU 22 0.023 -19.202 -1.469 184 HG3 GLU 22 1HG GLU 22 -0.971 -17.745 -1.430 185 H LYS 23 HN LYS 23 0.727 -14.907 -4.461 186 HA LYS 23 HA LYS 23 2.548 -15.748 -6.553 187 HB2 LYS 23 2HB LYS 23 0.564 -13.514 -6.234 188 HB3 LYS 23 1HB LYS 23 1.773 -13.458 -7.493 189 HG2 LYS 23 2HG LYS 23 -0.294 -14.303 -8.388 190 HG3 LYS 23 1HG LYS 23 0.913 -15.588 -8.388 191 HD2 LYS 23 2HD LYS 23 -0.066 -16.525 -6.358 192 HD3 LYS 23 1HD LYS 23 -1.251 -15.220 -6.315 193 HE2 LYS 23 2HE LYS 23 -0.965 -17.234 -8.538 194 HE3 LYS 23 1HE LYS 23 -2.157 -17.318 -7.241 195 HZ1 LYS 23 3HZ LYS 23 -3.158 -16.374 -9.183 196 HZ2 LYS 23 1HZ LYS 23 -1.941 -15.199 -9.312 197 HZ3 LYS 23 2HZ LYS 23 -3.022 -15.160 -8.007 198 H THR 24 HN THR 24 4.602 -15.121 -6.569 199 HA THR 24 HA THR 24 5.531 -13.577 -4.317 200 HB THR 24 HB THR 24 7.776 -14.206 -5.046 201 HG1 THR 24 1HG THR 24 6.457 -15.514 -7.225 202 HG21 THR 24 3HG2 THR 24 7.564 -16.624 -4.787 203 HG22 THR 24 1HG2 THR 24 5.841 -16.525 -5.166 204 HG23 THR 24 2HG2 THR 24 6.464 -15.787 -3.690 205 H GLN 25 HN GLN 25 7.515 -12.141 -4.797 206 HA GLN 25 HA GLN 25 6.808 -9.800 -6.074 207 HB2 GLN 25 2HB GLN 25 9.542 -10.981 -5.570 208 HB3 GLN 25 1HB GLN 25 9.281 -9.331 -6.107 209 HG2 GLN 25 2HG GLN 25 8.066 -8.828 -4.078 210 HG3 GLN 25 1HG GLN 25 8.202 -10.505 -3.556 211 HE21 GLN 25 1HE2 GLN 25 10.956 -10.765 -4.489 212 HE22 GLN 25 2HE2 GLN 25 11.925 -9.876 -3.366 213 H LEU 26 HN LEU 26 8.286 -12.670 -7.344 214 HA LEU 26 HA LEU 26 9.078 -11.594 -9.857 215 HB2 LEU 26 2HB LEU 26 9.392 -14.006 -8.477 216 HB3 LEU 26 1HB LEU 26 8.503 -14.427 -9.929 217 HG LEU 26 HG LEU 26 11.131 -12.934 -9.892 218 HD11 LEU 26 1HD1 LEU 26 10.528 -15.821 -10.511 219 HD12 LEU 26 2HD1 LEU 26 11.425 -15.211 -9.120 220 HD13 LEU 26 3HD1 LEU 26 12.084 -15.025 -10.745 221 HD21 LEU 26 3HD2 LEU 26 9.572 -14.131 -12.181 222 HD22 LEU 26 1HD2 LEU 26 11.154 -13.362 -12.292 223 HD23 LEU 26 2HD2 LEU 26 9.740 -12.410 -11.836 224 H GLU 27 HN GLU 27 6.236 -13.399 -8.740 225 HA GLU 27 HA GLU 27 4.963 -13.701 -11.217 226 HB2 GLU 27 2HB GLU 27 4.126 -13.815 -8.368 227 HB3 GLU 27 1HB GLU 27 2.861 -13.630 -9.565 228 HG2 GLU 27 2HG GLU 27 3.053 -15.932 -9.145 229 HG3 GLU 27 1HG GLU 27 3.800 -15.655 -10.717 230 H ILE 28 HN ILE 28 4.591 -11.213 -8.716 231 HA ILE 28 HA ILE 28 2.508 -9.826 -10.018 232 HB ILE 28 HB ILE 28 4.462 -8.709 -8.000 233 HG12 ILE 28 2HG1 ILE 28 1.785 -10.048 -7.555 234 HG13 ILE 28 1HG1 ILE 28 3.345 -10.801 -7.245 235 HG21 ILE 28 1HG2 ILE 28 1.656 -7.865 -8.741 236 HG22 ILE 28 2HG2 ILE 28 3.140 -7.005 -9.156 237 HG23 ILE 28 3HG2 ILE 28 2.650 -7.153 -7.468 238 HD11 ILE 28 3HD1 ILE 28 2.261 -8.355 -5.865 239 HD12 ILE 28 1HD1 ILE 28 3.815 -9.127 -5.539 240 HD13 ILE 28 2HD1 ILE 28 2.311 -9.988 -5.202 241 H ALA 29 HN ALA 29 6.023 -9.367 -10.006 242 HA ALA 29 HA ALA 29 6.125 -6.917 -11.345 243 HB1 ALA 29 1HB ALA 29 8.432 -7.491 -11.893 244 HB2 ALA 29 2HB ALA 29 8.127 -9.172 -11.457 245 HB3 ALA 29 3HB ALA 29 8.057 -7.913 -10.223 246 H LYS 30 HN LYS 30 5.900 -10.204 -12.600 247 HA LYS 30 HA LYS 30 6.398 -9.634 -15.309 248 HB2 LYS 30 2HB LYS 30 4.761 -11.839 -14.047 249 HB3 LYS 30 1HB LYS 30 5.229 -11.795 -15.742 250 HG2 LYS 30 2HG LYS 30 7.540 -11.976 -15.180 251 HG3 LYS 30 1HG LYS 30 7.190 -11.769 -13.466 252 HD2 LYS 30 2HD LYS 30 7.558 -14.071 -13.742 253 HD3 LYS 30 1HD LYS 30 5.806 -13.898 -13.652 254 HE2 LYS 30 2HE LYS 30 7.274 -13.992 -16.272 255 HE3 LYS 30 1HE LYS 30 6.758 -15.453 -15.438 256 HZ1 LYS 30 3HZ LYS 30 5.012 -13.272 -16.446 257 HZ2 LYS 30 1HZ LYS 30 4.465 -14.576 -15.511 258 HZ3 LYS 30 2HZ LYS 30 5.126 -14.850 -17.050 259 H SER 31 HN SER 31 3.440 -9.552 -13.400 260 HA SER 31 HA SER 31 1.750 -9.097 -15.677 261 HB2 SER 31 2HB SER 31 1.150 -8.752 -12.732 262 HB3 SER 31 1HB SER 31 -0.037 -8.831 -14.032 263 HG SER 31 HG SER 31 0.711 -10.968 -14.468 264 H ILE 32 HN ILE 32 3.333 -7.115 -13.242 265 HA ILE 32 HA ILE 32 1.984 -4.690 -13.889 266 HB ILE 32 HB ILE 32 4.678 -5.086 -12.574 267 HG12 ILE 32 2HG1 ILE 32 2.900 -6.145 -11.299 268 HG13 ILE 32 1HG1 ILE 32 3.432 -4.685 -10.471 269 HG21 ILE 32 1HG2 ILE 32 2.914 -2.649 -12.684 270 HG22 ILE 32 2HG2 ILE 32 4.482 -2.843 -13.468 271 HG23 ILE 32 3HG2 ILE 32 4.374 -2.810 -11.707 272 HD11 ILE 32 3HD1 ILE 32 1.482 -3.490 -11.310 273 HD12 ILE 32 1HD1 ILE 32 1.012 -4.926 -10.405 274 HD13 ILE 32 2HD1 ILE 32 0.957 -4.938 -12.166 275 H GLY 33 HN GLY 33 5.081 -6.096 -14.888 276 HA2 GLY 33 2HA GLY 33 5.646 -5.817 -17.260 277 HA3 GLY 33 1HA GLY 33 5.093 -4.155 -17.116 278 H VAL 34 HN VAL 34 6.931 -5.603 -14.562 279 HA VAL 34 HA VAL 34 9.326 -4.151 -15.451 280 HB VAL 34 HB VAL 34 9.792 -3.571 -13.075 281 HG11 VAL 34 1HG1 VAL 34 8.841 -1.912 -14.577 282 HG12 VAL 34 2HG1 VAL 34 8.224 -1.701 -12.939 283 HG13 VAL 34 3HG1 VAL 34 7.215 -2.459 -14.169 284 HG21 VAL 34 3HG2 VAL 34 6.952 -4.491 -12.620 285 HG22 VAL 34 1HG2 VAL 34 7.958 -3.643 -11.443 286 HG23 VAL 34 2HG2 VAL 34 8.409 -5.259 -11.990 287 H SER 35 HN SER 35 11.239 -4.854 -13.932 288 HA SER 35 HA SER 35 11.312 -7.759 -13.986 289 HB2 SER 35 2HB SER 35 13.465 -5.754 -13.255 290 HB3 SER 35 1HB SER 35 13.705 -7.479 -13.533 291 HG SER 35 HG SER 35 12.446 -6.124 -15.588 292 HA PRO 36 HA PRO 36 10.597 -8.464 -9.658 293 HB2 PRO 36 2HB PRO 36 12.720 -10.171 -9.092 294 HB3 PRO 36 1HB PRO 36 11.154 -10.667 -9.739 295 HG2 PRO 36 2HG PRO 36 13.731 -10.179 -11.168 296 HG3 PRO 36 1HG PRO 36 12.499 -11.422 -11.457 297 HD2 PRO 36 2HD PRO 36 12.704 -9.269 -13.037 298 HD3 PRO 36 1HD PRO 36 11.120 -9.960 -12.622 299 H GLN 37 HN GLN 37 13.760 -7.529 -10.783 300 HA GLN 37 HA GLN 37 14.886 -6.778 -8.300 301 HB2 GLN 37 2HB GLN 37 15.486 -5.660 -11.044 302 HB3 GLN 37 1HB GLN 37 16.527 -5.577 -9.631 303 HG2 GLN 37 2HG GLN 37 16.798 -7.986 -9.657 304 HG3 GLN 37 1HG GLN 37 15.691 -8.108 -11.024 305 HE21 GLN 37 1HE2 GLN 37 18.876 -7.226 -9.978 306 HE22 GLN 37 2HE2 GLN 37 19.562 -7.056 -11.556 307 H THR 38 HN THR 38 12.991 -5.051 -10.727 308 HA THR 38 HA THR 38 13.214 -2.474 -9.568 309 HB THR 38 HB THR 38 10.890 -3.459 -11.232 310 HG1 THR 38 1HG THR 38 12.726 -2.285 -12.765 311 HG21 THR 38 3HG2 THR 38 10.849 -1.141 -12.036 312 HG22 THR 38 1HG2 THR 38 12.216 -0.752 -10.990 313 HG23 THR 38 2HG2 THR 38 10.664 -1.211 -10.283 314 H PHE 39 HN PHE 39 10.910 -5.103 -9.312 315 HA PHE 39 HA PHE 39 9.075 -3.833 -7.581 316 HB2 PHE 39 2HB PHE 39 8.861 -5.993 -9.013 317 HB3 PHE 39 1HB PHE 39 9.583 -6.797 -7.623 318 HD1 PHE 39 2HD PHE 39 6.720 -4.683 -8.653 319 HD2 PHE 39 1HD PHE 39 8.280 -7.421 -5.797 320 HE1 PHE 39 2HE PHE 39 4.503 -4.839 -7.601 321 HE2 PHE 39 1HE PHE 39 6.065 -7.588 -4.742 322 HZ PHE 39 HZ PHE 39 4.174 -6.295 -5.644 323 H ASN 40 HN ASN 40 12.025 -5.633 -7.101 324 HA ASN 40 HA ASN 40 11.810 -6.132 -4.335 325 HB2 ASN 40 2HB ASN 40 13.432 -7.102 -6.128 326 HB3 ASN 40 1HB ASN 40 14.434 -5.712 -5.747 327 HD21 ASN 40 1HD2 ASN 40 13.634 -5.762 -2.897 328 HD22 ASN 40 2HD2 ASN 40 14.508 -7.093 -2.209 329 H THR 41 HN THR 41 12.953 -3.334 -6.159 330 HA THR 41 HA THR 41 14.274 -2.084 -3.984 331 HB THR 41 HB THR 41 14.282 -0.046 -5.294 332 HG1 THR 41 1HG THR 41 12.532 -1.398 -7.105 333 HG21 THR 41 3HG2 THR 41 14.700 -2.462 -7.054 334 HG22 THR 41 1HG2 THR 41 15.878 -1.787 -5.927 335 HG23 THR 41 2HG2 THR 41 15.367 -0.852 -7.332 336 H TRP 42 HN TRP 42 10.962 -1.915 -5.210 337 HA TRP 42 HA TRP 42 10.070 0.108 -3.437 338 HB2 TRP 42 2HB TRP 42 8.480 -2.114 -4.738 339 HB3 TRP 42 1HB TRP 42 7.808 -0.662 -4.008 340 HD1 TRP 42 1HD TRP 42 10.055 1.317 -5.402 341 HE1 TRP 42 1HE TRP 42 9.718 1.908 -7.887 342 HE3 TRP 42 3HE TRP 42 6.986 -2.550 -6.738 343 HZ2 TRP 42 2HZ TRP 42 8.316 0.877 -10.107 344 HZ3 TRP 42 3HZ TRP 42 6.190 -2.672 -9.064 345 HH2 TRP 42 2HH TRP 42 6.846 -0.996 -10.713 346 H CYS 43 HN CYS 43 10.278 -3.374 -3.261 347 HA CYS 43 HA CYS 43 8.925 -3.784 -0.827 348 HB2 CYS 43 2HB CYS 43 9.486 -5.588 -2.409 349 HB3 CYS 43 1HB CYS 43 11.194 -5.355 -2.074 350 HG CYS 43 HG CYS 43 10.020 -7.718 -0.896 351 H LYS 44 HN LYS 44 12.255 -2.941 -1.575 352 HA LYS 44 HA LYS 44 13.089 -3.039 1.179 353 HB2 LYS 44 2HB LYS 44 14.362 -2.358 -1.436 354 HB3 LYS 44 1HB LYS 44 15.133 -1.833 0.047 355 HG2 LYS 44 2HG LYS 44 14.451 -4.671 -0.674 356 HG3 LYS 44 1HG LYS 44 16.058 -3.940 -0.721 357 HD2 LYS 44 2HD LYS 44 15.805 -3.446 1.722 358 HD3 LYS 44 1HD LYS 44 14.328 -4.407 1.700 359 HE2 LYS 44 2HE LYS 44 15.606 -6.350 0.953 360 HE3 LYS 44 1HE LYS 44 17.084 -5.388 0.978 361 HZ1 LYS 44 3HZ LYS 44 15.378 -6.083 3.304 362 HZ2 LYS 44 1HZ LYS 44 16.702 -5.029 3.373 363 HZ3 LYS 44 2HZ LYS 44 16.936 -6.661 2.983 364 H GLY 45 HN GLY 45 11.247 -0.927 -0.555 365 HA2 GLY 45 2HA GLY 45 10.588 1.247 -0.221 366 HA3 GLY 45 1HA GLY 45 11.351 1.139 1.358 367 H ILE 46 HN ILE 46 13.045 0.702 -1.681 368 HA ILE 46 HA ILE 46 14.984 2.681 -0.964 369 HB ILE 46 HB ILE 46 14.609 1.202 -3.577 370 HG12 ILE 46 2HG1 ILE 46 16.494 0.691 -1.264 371 HG13 ILE 46 1HG1 ILE 46 15.065 -0.264 -1.640 372 HG21 ILE 46 1HG2 ILE 46 16.933 1.850 -4.049 373 HG22 ILE 46 2HG2 ILE 46 16.955 2.814 -2.571 374 HG23 ILE 46 3HG2 ILE 46 15.878 3.256 -3.897 375 HD11 ILE 46 3HD1 ILE 46 17.095 -1.365 -2.390 376 HD12 ILE 46 1HD1 ILE 46 17.501 0.035 -3.380 377 HD13 ILE 46 2HD1 ILE 46 16.074 -0.927 -3.761 378 H ALA 47 HN ALA 47 12.566 2.438 -3.560 379 HA ALA 47 HA ALA 47 12.485 5.366 -3.667 380 HB1 ALA 47 1HB ALA 47 12.623 3.592 -6.105 381 HB2 ALA 47 2HB ALA 47 13.943 4.590 -5.495 382 HB3 ALA 47 3HB ALA 47 12.467 5.350 -6.094 383 H ILE 48 HN ILE 48 10.556 6.062 -5.077 384 HA ILE 48 HA ILE 48 8.290 4.237 -4.614 385 HB ILE 48 HB ILE 48 8.342 7.254 -4.405 386 HG12 ILE 48 2HG1 ILE 48 7.560 5.154 -2.375 387 HG13 ILE 48 1HG1 ILE 48 9.132 5.941 -2.438 388 HG21 ILE 48 1HG2 ILE 48 5.938 7.115 -3.904 389 HG22 ILE 48 2HG2 ILE 48 5.969 5.396 -4.304 390 HG23 ILE 48 3HG2 ILE 48 6.314 6.599 -5.549 391 HD11 ILE 48 3HD1 ILE 48 7.714 6.933 -0.738 392 HD12 ILE 48 1HD1 ILE 48 6.492 7.306 -1.953 393 HD13 ILE 48 2HD1 ILE 48 8.069 8.095 -2.016 394 HA PRO 49 HA PRO 49 7.896 4.540 -9.041 395 HB2 PRO 49 2HB PRO 49 5.522 3.258 -9.273 396 HB3 PRO 49 1HB PRO 49 7.031 2.405 -8.924 397 HG2 PRO 49 2HG PRO 49 4.882 3.292 -7.020 398 HG3 PRO 49 1HG PRO 49 5.717 1.726 -7.114 399 HD2 PRO 49 2HD PRO 49 6.429 3.623 -5.323 400 HD3 PRO 49 1HD PRO 49 7.616 2.536 -6.073 401 H ARG 50 HN ARG 50 6.628 5.657 -10.575 402 HA ARG 50 HA ARG 50 5.106 7.839 -9.427 403 HB2 ARG 50 2HB ARG 50 5.996 7.254 -12.250 404 HB3 ARG 50 1HB ARG 50 5.014 8.646 -11.811 405 HG2 ARG 50 2HG ARG 50 6.800 9.373 -10.263 406 HG3 ARG 50 1HG ARG 50 7.794 8.029 -10.830 407 HD2 ARG 50 2HD ARG 50 7.832 8.928 -13.056 408 HD3 ARG 50 1HD ARG 50 6.667 10.177 -12.617 409 HE ARG 50 HE ARG 50 9.138 10.182 -11.103 410 HH11 ARG 50 1HH1 ARG 50 7.400 11.433 -13.869 411 HH12 ARG 50 2HH1 ARG 50 8.349 12.892 -13.968 412 HH21 ARG 50 1HH2 ARG 50 10.413 12.068 -11.237 413 HH22 ARG 50 2HH2 ARG 50 10.068 13.246 -12.471 414 H MET 51 HN MET 51 3.113 8.522 -10.779 415 HA MET 51 HA MET 51 1.083 6.859 -9.982 416 HB2 MET 51 2HB MET 51 -0.414 8.214 -11.419 417 HB3 MET 51 1HB MET 51 0.675 9.182 -10.436 418 HG2 MET 51 2HG MET 51 2.118 9.539 -12.366 419 HG3 MET 51 1HG MET 51 1.052 8.544 -13.355 420 HE1 MET 51 3HE MET 51 -1.821 9.414 -12.310 421 HE2 MET 51 1HE MET 51 -1.428 9.239 -14.021 422 HE3 MET 51 2HE MET 51 -2.211 10.708 -13.441 423 H GLY 52 HN GLY 52 2.683 6.868 -13.120 424 HA2 GLY 52 2HA GLY 52 0.910 5.399 -14.642 425 HA3 GLY 52 1HA GLY 52 2.654 5.323 -14.817 426 H LYS 53 HN LYS 53 3.401 4.119 -12.440 427 HA LYS 53 HA LYS 53 2.416 1.422 -12.937 428 HB2 LYS 53 2HB LYS 53 4.885 2.549 -11.714 429 HB3 LYS 53 1HB LYS 53 4.367 0.946 -11.208 430 HG2 LYS 53 2HG LYS 53 4.390 0.205 -13.534 431 HG3 LYS 53 1HG LYS 53 4.915 1.808 -14.043 432 HD2 LYS 53 2HD LYS 53 6.477 0.234 -12.030 433 HD3 LYS 53 1HD LYS 53 6.686 -0.037 -13.760 434 HE2 LYS 53 2HE LYS 53 7.009 2.612 -12.358 435 HE3 LYS 53 1HE LYS 53 8.329 1.541 -12.834 436 HZ1 LYS 53 3HZ LYS 53 6.450 3.003 -14.600 437 HZ2 LYS 53 1HZ LYS 53 7.439 1.742 -15.161 438 HZ3 LYS 53 2HZ LYS 53 8.138 3.149 -14.525 439 H VAL 54 HN VAL 54 2.193 3.904 -10.545 440 HA VAL 54 HA VAL 54 1.541 2.341 -8.302 441 HB VAL 54 HB VAL 54 0.615 5.126 -9.032 442 HG11 VAL 54 1HG1 VAL 54 0.338 3.673 -6.398 443 HG12 VAL 54 2HG1 VAL 54 -0.981 4.136 -7.472 444 HG13 VAL 54 3HG1 VAL 54 -0.019 5.379 -6.672 445 HG21 VAL 54 3HG2 VAL 54 2.285 5.820 -7.378 446 HG22 VAL 54 1HG2 VAL 54 3.015 4.908 -8.698 447 HG23 VAL 54 2HG2 VAL 54 2.741 4.134 -7.137 448 H GLN 55 HN GLN 55 -0.488 3.606 -10.927 449 HA GLN 55 HA GLN 55 -2.937 2.677 -9.833 450 HB2 GLN 55 2HB GLN 55 -2.449 3.023 -12.785 451 HB3 GLN 55 1HB GLN 55 -3.946 3.253 -11.899 452 HG2 GLN 55 2HG GLN 55 -1.559 5.013 -11.466 453 HG3 GLN 55 1HG GLN 55 -2.719 5.312 -12.749 454 HE21 GLN 55 1HE2 GLN 55 -3.714 4.078 -9.617 455 HE22 GLN 55 2HE2 GLN 55 -4.490 5.518 -9.087 456 H ALA 56 HN ALA 56 -0.484 1.227 -11.847 457 HA ALA 56 HA ALA 56 -1.956 -1.083 -12.573 458 HB1 ALA 56 1HB ALA 56 0.058 -0.378 -13.768 459 HB2 ALA 56 2HB ALA 56 0.200 -2.037 -13.188 460 HB3 ALA 56 3HB ALA 56 1.030 -0.732 -12.340 461 H LEU 57 HN LEU 57 0.341 -0.410 -9.951 462 HA LEU 57 HA LEU 57 0.290 -2.934 -8.742 463 HB2 LEU 57 2HB LEU 57 0.691 -0.207 -7.509 464 HB3 LEU 57 1HB LEU 57 1.021 -1.723 -6.699 465 HG LEU 57 HG LEU 57 2.423 -0.760 -9.191 466 HD11 LEU 57 1HD1 LEU 57 3.353 -0.835 -6.324 467 HD12 LEU 57 2HD1 LEU 57 2.982 0.613 -7.261 468 HD13 LEU 57 3HD1 LEU 57 4.344 -0.409 -7.720 469 HD21 LEU 57 3HD2 LEU 57 3.972 -2.610 -8.724 470 HD22 LEU 57 1HD2 LEU 57 2.338 -3.181 -9.057 471 HD23 LEU 57 2HD2 LEU 57 2.933 -3.130 -7.398 472 H ALA 58 HN ALA 58 -1.625 -0.017 -8.045 473 HA ALA 58 HA ALA 58 -3.175 -1.136 -5.980 474 HB1 ALA 58 1HB ALA 58 -2.966 1.278 -6.394 475 HB2 ALA 58 2HB ALA 58 -4.649 0.764 -6.289 476 HB3 ALA 58 3HB ALA 58 -3.926 1.096 -7.863 477 H ASP 59 HN ASP 59 -3.445 -1.313 -9.444 478 HA ASP 59 HA ASP 59 -6.173 -2.174 -9.515 479 HB2 ASP 59 2HB ASP 59 -5.058 -1.086 -11.440 480 HB3 ASP 59 1HB ASP 59 -4.013 -2.491 -11.609 481 H TYR 60 HN TYR 60 -3.040 -3.770 -9.502 482 HA TYR 60 HA TYR 60 -4.064 -6.378 -10.021 483 HB2 TYR 60 2HB TYR 60 -1.658 -5.463 -10.341 484 HB3 TYR 60 1HB TYR 60 -1.451 -5.845 -8.636 485 HD1 TYR 60 2HD TYR 60 -2.532 -7.381 -11.846 486 HD2 TYR 60 1HD TYR 60 -0.763 -8.003 -8.027 487 HE1 TYR 60 2HE TYR 60 -2.030 -9.702 -12.466 488 HE2 TYR 60 1HE TYR 60 -0.257 -10.334 -8.638 489 HH TYR 60 HH TYR 60 -0.441 -11.467 -11.829 490 H PHE 61 HN PHE 61 -3.428 -4.523 -7.109 491 HA PHE 61 HA PHE 61 -4.156 -6.792 -5.433 492 HB2 PHE 61 2HB PHE 61 -3.281 -3.980 -4.763 493 HB3 PHE 61 1HB PHE 61 -3.741 -5.170 -3.557 494 HD1 PHE 61 1HD PHE 61 -2.457 -7.445 -3.680 495 HD2 PHE 61 2HD PHE 61 -1.068 -3.795 -5.367 496 HE1 PHE 61 1HE PHE 61 -0.155 -8.309 -3.644 497 HE2 PHE 61 2HE PHE 61 1.237 -4.652 -5.335 498 HZ PHE 61 HZ PHE 61 1.698 -6.913 -4.474 499 H ASN 62 HN ASN 62 -5.701 -4.424 -7.134 500 HA ASN 62 HA ASN 62 -7.796 -3.600 -7.234 501 HB2 ASN 62 2HB ASN 62 -8.398 -5.995 -5.490 502 HB3 ASN 62 1HB ASN 62 -9.614 -5.000 -6.282 503 HD21 ASN 62 1HD2 ASN 62 -9.721 -5.003 -8.584 504 HD22 ASN 62 2HD2 ASN 62 -9.078 -6.332 -9.489 505 H ILE 63 HN ILE 63 -6.192 -2.319 -5.444 506 HA ILE 63 HA ILE 63 -8.089 -1.581 -3.313 507 HB ILE 63 HB ILE 63 -6.111 -0.861 -1.960 508 HG12 ILE 63 2HG1 ILE 63 -4.573 -2.466 -4.017 509 HG13 ILE 63 1HG1 ILE 63 -4.471 -0.724 -3.780 510 HG21 ILE 63 1HG2 ILE 63 -5.554 -3.116 -1.168 511 HG22 ILE 63 2HG2 ILE 63 -6.297 -3.798 -2.618 512 HG23 ILE 63 3HG2 ILE 63 -7.286 -2.916 -1.452 513 HD11 ILE 63 3HD1 ILE 63 -2.579 -1.847 -2.778 514 HD12 ILE 63 1HD1 ILE 63 -3.662 -2.835 -1.793 515 HD13 ILE 63 2HD1 ILE 63 -3.577 -1.092 -1.535 516 H ASN 64 HN ASN 64 -7.243 0.719 -2.397 517 HA ASN 64 HA ASN 64 -7.407 2.442 -4.768 518 HB2 ASN 64 2HB ASN 64 -7.876 3.198 -1.877 519 HB3 ASN 64 1HB ASN 64 -8.306 4.136 -3.302 520 HD21 ASN 64 1HD2 ASN 64 -9.125 1.478 -1.264 521 HD22 ASN 64 2HD2 ASN 64 -10.706 1.188 -1.925 522 H LYS 65 HN LYS 65 -6.330 4.632 -4.498 523 HA LYS 65 HA LYS 65 -3.566 4.404 -4.201 524 HB2 LYS 65 2HB LYS 65 -3.550 6.887 -4.204 525 HB3 LYS 65 1HB LYS 65 -4.561 6.216 -5.476 526 HG2 LYS 65 2HG LYS 65 -6.555 6.652 -4.116 527 HG3 LYS 65 1HG LYS 65 -5.535 7.343 -2.855 528 HD2 LYS 65 2HD LYS 65 -5.625 8.411 -5.674 529 HD3 LYS 65 1HD LYS 65 -6.686 8.988 -4.392 530 HE2 LYS 65 2HE LYS 65 -4.892 10.507 -4.475 531 HE3 LYS 65 1HE LYS 65 -4.597 9.495 -3.064 532 HZ1 LYS 65 3HZ LYS 65 -3.296 9.213 -5.722 533 HZ2 LYS 65 1HZ LYS 65 -3.030 8.203 -4.391 534 HZ3 LYS 65 2HZ LYS 65 -2.576 9.824 -4.314 535 H SER 66 HN SER 66 -6.048 5.308 -1.908 536 HA SER 66 HA SER 66 -4.450 6.376 0.115 537 HB2 SER 66 2HB SER 66 -6.972 4.838 0.669 538 HB3 SER 66 1HB SER 66 -6.396 6.333 1.410 539 HG SER 66 HG SER 66 -7.499 7.371 -0.040 540 H ASP 67 HN ASP 67 -5.515 3.056 -0.502 541 HA ASP 67 HA ASP 67 -4.736 1.951 1.956 542 HB2 ASP 67 2HB ASP 67 -5.051 0.625 -0.743 543 HB3 ASP 67 1HB ASP 67 -4.859 -0.244 0.775 544 H LEU 68 HN LEU 68 -2.877 2.815 -0.808 545 HA LEU 68 HA LEU 68 -0.636 1.128 -0.042 546 HB2 LEU 68 2HB LEU 68 -1.077 3.030 -2.334 547 HB3 LEU 68 1HB LEU 68 0.463 2.249 -2.033 548 HG LEU 68 HG LEU 68 -2.119 0.779 -2.572 549 HD11 LEU 68 1HD1 LEU 68 0.210 1.319 -4.410 550 HD12 LEU 68 2HD1 LEU 68 -1.383 2.067 -4.519 551 HD13 LEU 68 3HD1 LEU 68 -1.205 0.331 -4.779 552 HD21 LEU 68 3HD2 LEU 68 -0.533 -0.495 -1.235 553 HD22 LEU 68 1HD2 LEU 68 0.741 -0.168 -2.411 554 HD23 LEU 68 2HD2 LEU 68 -0.645 -1.158 -2.865 555 H ILE 69 HN ILE 69 -1.640 4.460 0.244 556 HA ILE 69 HA ILE 69 1.099 5.344 0.698 557 HB ILE 69 HB ILE 69 -1.446 6.942 0.461 558 HG12 ILE 69 2HG1 ILE 69 -0.780 5.810 -1.626 559 HG13 ILE 69 1HG1 ILE 69 -0.596 7.555 -1.749 560 HG21 ILE 69 1HG2 ILE 69 0.176 8.120 1.825 561 HG22 ILE 69 2HG2 ILE 69 0.046 8.889 0.242 562 HG23 ILE 69 3HG2 ILE 69 1.424 7.851 0.609 563 HD11 ILE 69 3HD1 ILE 69 1.809 7.330 -1.393 564 HD12 ILE 69 1HD1 ILE 69 1.270 6.386 -2.783 565 HD13 ILE 69 2HD1 ILE 69 1.623 5.580 -1.253 566 H GLU 70 HN GLU 70 -2.046 5.487 2.451 567 HA GLU 70 HA GLU 70 -0.670 6.712 4.673 568 HB2 GLU 70 2HB GLU 70 -2.968 6.812 5.662 569 HB3 GLU 70 1HB GLU 70 -2.742 7.714 4.181 570 HG2 GLU 70 2HG GLU 70 -3.797 5.846 2.952 571 HG3 GLU 70 1HG GLU 70 -4.112 5.060 4.499 572 H ASP 71 HN ASP 71 -0.630 5.929 6.768 573 HA ASP 71 HA ASP 71 -0.215 3.070 6.849 574 HB2 ASP 71 2HB ASP 71 1.439 4.676 7.793 575 HB3 ASP 71 1HB ASP 71 0.250 5.138 9.009 576 H LYS 72 HN LYS 72 -0.941 1.792 8.698 577 HA LYS 72 HA LYS 72 -3.784 2.106 8.988 578 HB2 LYS 72 2HB LYS 72 -3.624 -0.108 10.199 579 HB3 LYS 72 1HB LYS 72 -3.091 -0.113 8.527 580 HG2 LYS 72 2HG LYS 72 -1.123 0.239 10.754 581 HG3 LYS 72 1HG LYS 72 -1.689 -1.366 10.288 582 HD2 LYS 72 2HD LYS 72 -0.872 -1.065 8.051 583 HD3 LYS 72 1HD LYS 72 -0.490 0.627 8.370 584 HE2 LYS 72 2HE LYS 72 1.167 -0.105 10.052 585 HE3 LYS 72 1HE LYS 72 0.823 -1.782 9.620 586 HZ1 LYS 72 3HZ LYS 72 1.620 -1.394 7.418 587 HZ2 LYS 72 1HZ LYS 72 2.802 -0.843 8.503 588 HZ3 LYS 72 2HZ LYS 72 1.797 0.267 7.704 589 H LYS 73 HN LYS 73 -1.212 3.270 10.743 590 HA LYS 73 HA LYS 73 -2.503 3.058 13.319 591 HB2 LYS 73 2HB LYS 73 -0.025 4.464 12.352 592 HB3 LYS 73 1HB LYS 73 -0.643 4.686 13.977 593 HG2 LYS 73 2HG LYS 73 -0.033 1.958 12.896 594 HG3 LYS 73 1HG LYS 73 1.218 2.970 13.612 595 HD2 LYS 73 2HD LYS 73 0.429 1.524 15.328 596 HD3 LYS 73 1HD LYS 73 -0.219 3.127 15.670 597 HE2 LYS 73 2HE LYS 73 -2.359 2.463 14.671 598 HE3 LYS 73 1HE LYS 73 -1.705 0.857 14.350 599 HZ1 LYS 73 3HZ LYS 73 -3.058 0.930 16.370 600 HZ2 LYS 73 1HZ LYS 73 -2.000 2.069 17.051 601 HZ3 LYS 73 2HZ LYS 73 -1.458 0.498 16.709 602 H LEU 74 HN LEU 74 -3.580 4.514 10.834 603 HA LEU 74 HA LEU 74 -4.130 7.118 11.980 604 HB2 LEU 74 2HB LEU 74 -4.866 5.820 9.369 605 HB3 LEU 74 1HB LEU 74 -5.465 7.386 9.855 606 HG LEU 74 HG LEU 74 -2.581 6.661 9.363 607 HD11 LEU 74 1HD1 LEU 74 -3.879 6.856 7.323 608 HD12 LEU 74 2HD1 LEU 74 -2.781 8.227 7.487 609 HD13 LEU 74 3HD1 LEU 74 -4.497 8.422 7.845 610 HD21 LEU 74 3HD2 LEU 74 -2.784 8.290 11.170 611 HD22 LEU 74 1HD2 LEU 74 -3.802 9.306 10.144 612 HD23 LEU 74 2HD2 LEU 74 -2.111 9.029 9.715 613 H ASN 75 HN ASN 75 -5.174 4.229 12.651 614 HA ASN 75 HA ASN 75 -8.017 4.633 12.646 615 HB2 ASN 75 2HB ASN 75 -6.308 2.535 14.013 616 HB3 ASN 75 1HB ASN 75 -8.065 2.556 14.040 617 HD21 ASN 75 1HD2 ASN 75 -8.227 3.467 11.248 618 HD22 ASN 75 2HD2 ASN 75 -7.844 2.082 10.290 619 H ILE 76 HN ILE 76 -9.227 5.205 14.384 620 HA ILE 76 HA ILE 76 -8.107 6.916 16.310 621 HB ILE 76 HB ILE 76 -10.754 5.504 16.608 622 HG12 ILE 76 2HG1 ILE 76 -11.617 7.780 15.658 623 HG13 ILE 76 1HG1 ILE 76 -9.998 7.925 14.986 624 HG21 ILE 76 1HG2 ILE 76 -9.967 6.613 18.615 625 HG22 ILE 76 2HG2 ILE 76 -11.357 7.471 17.947 626 HG23 ILE 76 3HG2 ILE 76 -9.729 8.109 17.713 627 HD11 ILE 76 3HD1 ILE 76 -10.323 5.850 13.749 628 HD12 ILE 76 1HD1 ILE 76 -11.560 7.044 13.360 629 HD13 ILE 76 2HD1 ILE 76 -11.942 5.700 14.434 630 H ASP 77 HN ASP 77 -6.881 6.370 17.921 631 HA ASP 77 HA ASP 77 -7.414 4.093 19.600 632 HB2 ASP 77 2HB ASP 77 -6.202 2.981 17.804 633 HB3 ASP 77 1HB ASP 77 -4.921 4.186 17.883 634 H THR 78 HN THR 78 -7.343 5.163 21.449 635 HA THR 78 HA THR 78 -6.491 6.182 23.283 636 HB THR 78 HB THR 78 -3.727 6.084 22.107 637 HG1 THR 78 1HG THR 78 -4.415 4.033 21.642 638 HG21 THR 78 3HG2 THR 78 -3.138 5.485 24.434 639 HG22 THR 78 1HG2 THR 78 -4.845 5.597 24.876 640 HG23 THR 78 2HG2 THR 78 -3.976 7.035 24.338 641 H VAL 79 HN VAL 79 -7.160 7.687 20.790 642 HA VAL 79 HA VAL 79 -5.868 10.213 21.544 643 HB VAL 79 HB VAL 79 -6.309 9.371 18.669 644 HG11 VAL 79 1HG1 VAL 79 -5.108 11.883 19.834 645 HG12 VAL 79 2HG1 VAL 79 -6.654 11.753 18.996 646 HG13 VAL 79 3HG1 VAL 79 -5.149 11.472 18.119 647 HG21 VAL 79 3HG2 VAL 79 -3.742 9.722 20.223 648 HG22 VAL 79 1HG2 VAL 79 -3.852 9.424 18.488 649 HG23 VAL 79 2HG2 VAL 79 -4.405 8.198 19.631 650 HA PRO 80 HA PRO 80 -10.395 10.962 21.371 651 HB2 PRO 80 2HB PRO 80 -9.921 12.569 23.747 652 HB3 PRO 80 1HB PRO 80 -10.959 11.155 23.560 653 HG2 PRO 80 2HG PRO 80 -8.680 11.141 25.045 654 HG3 PRO 80 1HG PRO 80 -9.319 9.699 24.233 655 HD2 PRO 80 2HD PRO 80 -7.102 11.527 23.384 656 HD3 PRO 80 1HD PRO 80 -7.192 9.755 23.299 657 H ILE 81 HN ILE 81 -10.671 12.436 19.812 658 HA ILE 81 HA ILE 81 -8.954 14.620 19.372 659 HB ILE 81 HB ILE 81 -10.183 13.648 17.540 660 HG12 ILE 81 2HG1 ILE 81 -11.151 16.471 18.024 661 HG13 ILE 81 1HG1 ILE 81 -9.564 16.041 17.393 662 HG21 ILE 81 1HG2 ILE 81 -12.193 12.961 18.723 663 HG22 ILE 81 2HG2 ILE 81 -12.603 13.909 17.292 664 HG23 ILE 81 3HG2 ILE 81 -12.684 14.650 18.891 665 HD11 ILE 81 3HD1 ILE 81 -11.045 16.744 15.610 666 HD12 ILE 81 1HD1 ILE 81 -12.211 15.499 16.064 667 HD13 ILE 81 2HD1 ILE 81 -10.631 15.039 15.429 668 H GLU 82 HN GLU 82 -9.085 16.748 19.827 669 HA GLU 82 HA GLU 82 -10.733 17.443 22.126 670 HB2 GLU 82 2HB GLU 82 -8.266 17.924 21.960 671 HB3 GLU 82 1HB GLU 82 -8.640 19.106 20.717 672 HG2 GLU 82 2HG GLU 82 -8.285 20.143 22.899 673 HG3 GLU 82 1HG GLU 82 -9.918 20.418 22.297 674 H SER 83 HN SER 83 -11.777 17.196 19.291 675 HA SER 83 HA SER 83 -13.457 19.538 19.385 676 HB2 SER 83 2HB SER 83 -11.704 19.000 16.969 677 HB3 SER 83 1HB SER 83 -13.014 20.180 17.024 678 HG SER 83 HG SER 83 -11.365 20.548 19.116 679 H GLY 84 HN GLY 84 -15.128 19.389 17.540 680 HA2 GLY 84 2HA GLY 84 -16.263 18.045 15.934 681 HA3 GLY 84 1HA GLY 84 -15.499 16.623 16.623 682 H TYR 85 HN TYR 85 -17.253 19.236 18.261 683 HA TYR 85 HA TYR 85 -18.949 17.343 19.602 684 HB2 TYR 85 2HB TYR 85 -18.317 19.449 20.714 685 HB3 TYR 85 1HB TYR 85 -19.130 20.368 19.451 686 HD1 TYR 85 1HD TYR 85 -19.717 17.948 22.205 687 HD2 TYR 85 2HD TYR 85 -21.435 20.830 19.590 688 HE1 TYR 85 1HE TYR 85 -21.812 17.853 23.485 689 HE2 TYR 85 2HE TYR 85 -23.536 20.741 20.865 690 HH TYR 85 HH TYR 85 -24.712 19.117 22.353 691 H THR 86 HN THR 86 -20.918 16.644 18.977 692 HA THR 86 HA THR 86 -21.739 17.351 16.298 693 HB THR 86 HB THR 86 -23.059 15.386 18.174 694 HG1 THR 86 1HG THR 86 -20.645 15.319 16.897 695 HG21 THR 86 3HG2 THR 86 -24.402 16.007 16.215 696 HG22 THR 86 1HG2 THR 86 -23.834 14.342 16.089 697 HG23 THR 86 2HG2 THR 86 -23.046 15.615 15.156 698 H LEU 87 HN LEU 87 -22.390 19.518 16.671 699 HA LEU 87 HA LEU 87 -24.949 19.815 18.052 700 HB2 LEU 87 2HB LEU 87 -24.729 22.208 17.694 701 HB3 LEU 87 1HB LEU 87 -23.301 21.576 18.480 702 HG LEU 87 HG LEU 87 -23.338 22.017 15.509 703 HD11 LEU 87 1HD1 LEU 87 -24.050 24.116 16.541 704 HD12 LEU 87 2HD1 LEU 87 -22.412 24.244 15.893 705 HD13 LEU 87 3HD1 LEU 87 -22.665 24.054 17.631 706 HD21 LEU 87 3HD2 LEU 87 -20.937 22.280 15.846 707 HD22 LEU 87 1HD2 LEU 87 -21.494 20.728 16.467 708 HD23 LEU 87 2HD2 LEU 87 -21.146 22.049 17.583 709 H GLU 88 HN GLU 88 -26.172 21.740 16.491 710 HA GLU 88 HA GLU 88 -27.334 19.998 14.557 711 HB2 GLU 88 2HB GLU 88 -27.865 22.926 15.080 712 HB3 GLU 88 1HB GLU 88 -28.869 21.860 14.107 713 HG2 GLU 88 2HG GLU 88 -28.338 21.621 17.057 714 HG3 GLU 88 1HG GLU 88 -29.837 22.154 16.295 715 H HIS 89 HN HIS 89 -26.063 19.540 12.864 716 HA HIS 89 HA HIS 89 -25.509 21.748 11.009 717 HB2 HIS 89 2HB HIS 89 -23.633 19.524 11.800 718 HB3 HIS 89 1HB HIS 89 -23.470 20.366 10.265 719 HD1 HIS 89 1HD HIS 89 -21.505 20.329 12.866 720 HD2 HIS 89 2HD HIS 89 -23.908 23.435 11.486 721 HE1 HIS 89 1HE HIS 89 -20.442 22.448 13.724 722 HE2 HIS 89 2HE HIS 89 -21.979 24.304 12.979 723 H HIS 90 HN HIS 90 -25.042 20.792 8.753 724 HA HIS 90 HA HIS 90 -27.233 19.131 8.018 725 HB2 HIS 90 2HB HIS 90 -26.446 19.325 5.757 726 HB3 HIS 90 1HB HIS 90 -26.212 20.886 6.531 727 HD1 HIS 90 1HD HIS 90 -23.705 21.550 7.095 728 HD2 HIS 90 2HD HIS 90 -24.159 18.110 4.798 729 HE1 HIS 90 1HE HIS 90 -21.427 21.060 6.144 730 HE2 HIS 90 2HE HIS 90 -21.683 18.843 4.970 731 H HIS 91 HN HIS 91 -27.277 16.990 7.398 732 HA HIS 91 HA HIS 91 -24.976 15.432 8.357 733 HB2 HIS 91 2HB HIS 91 -27.787 14.456 7.823 734 HB3 HIS 91 1HB HIS 91 -26.506 13.589 8.661 735 HD1 HIS 91 1HD HIS 91 -29.422 15.579 9.293 736 HD2 HIS 91 2HD HIS 91 -25.753 15.039 11.185 737 HE1 HIS 91 1HE HIS 91 -29.740 16.410 11.645 738 HE2 HIS 91 2HE HIS 91 -27.563 15.929 12.814 739 H HIS 92 HN HIS 92 -27.435 15.318 5.771 740 HA HIS 92 HA HIS 92 -25.434 13.959 4.089 741 HB2 HIS 92 2HB HIS 92 -27.432 12.566 4.913 742 HB3 HIS 92 1HB HIS 92 -28.412 13.556 3.836 743 HD1 HIS 92 1HD HIS 92 -28.609 12.734 1.492 744 HD2 HIS 92 2HD HIS 92 -25.303 11.152 3.465 745 HE1 HIS 92 1HE HIS 92 -27.617 11.038 -0.086 746 HE2 HIS 92 2HE HIS 92 -25.747 9.958 1.216 747 H HIS 93 HN HIS 93 -24.819 15.208 2.447 748 HA HIS 93 HA HIS 93 -26.664 17.293 1.517 749 HB2 HIS 93 2HB HIS 93 -24.477 18.090 2.252 750 HB3 HIS 93 1HB HIS 93 -23.675 17.006 1.124 751 HD1 HIS 93 1HD HIS 93 -22.550 18.689 -0.351 752 HD2 HIS 93 2HD HIS 93 -26.609 19.466 0.123 753 HE1 HIS 93 1HE HIS 93 -23.089 20.520 -1.990 754 HE2 HIS 93 2HE HIS 93 -25.499 21.097 -1.557 755 H HIS 94 HN HIS 94 -27.767 15.323 0.520 756 HA HIS 94 HA HIS 94 -27.654 15.629 -2.237 757 HB2 HIS 94 2HB HIS 94 -25.533 14.177 -1.844 758 HB3 HIS 94 1HB HIS 94 -26.670 12.868 -1.524 759 HD1 HIS 94 1HD HIS 94 -27.650 11.691 -3.522 760 HD2 HIS 94 2HD HIS 94 -25.712 15.231 -4.531 761 HE1 HIS 94 1HE HIS 94 -27.575 11.735 -6.035 762 HE2 HIS 94 2HE HIS 94 -26.487 13.930 -6.632 Start of MODEL 10 1 H1 MET 1 H1 MET 1 13.746 9.288 13.413 2 H2 MET 1 H2 MET 1 14.806 9.457 14.724 3 H3 MET 1 H3 MET 1 15.420 9.210 13.162 4 HA MET 1 HA MET 1 13.905 11.585 14.068 5 HB2 MET 1 2HB MET 1 16.837 11.193 13.447 6 HB3 MET 1 1HB MET 1 16.079 12.766 13.639 7 HG2 MET 1 2HG MET 1 15.474 12.177 15.940 8 HG3 MET 1 1HG MET 1 16.266 10.617 15.736 9 HE1 MET 1 2HE MET 1 17.715 11.078 17.905 10 HE2 MET 1 3HE MET 1 16.941 12.653 18.115 11 HE3 MET 1 1HE MET 1 18.699 12.520 18.143 12 H VAL 2 HN VAL 2 16.037 10.341 11.471 13 HA VAL 2 HA VAL 2 14.488 11.995 9.582 14 HB VAL 2 HB VAL 2 17.378 11.142 9.308 15 HG11 VAL 2 1HG1 VAL 2 17.413 12.692 7.409 16 HG12 VAL 2 2HG1 VAL 2 15.684 12.981 7.621 17 HG13 VAL 2 3HG1 VAL 2 16.261 11.378 7.163 18 HG21 VAL 2 3HG2 VAL 2 17.119 12.796 11.068 19 HG22 VAL 2 1HG2 VAL 2 16.210 13.839 9.976 20 HG23 VAL 2 2HG2 VAL 2 17.913 13.503 9.661 21 H LYS 3 HN LYS 3 13.097 10.684 8.624 22 HA LYS 3 HA LYS 3 14.072 8.562 6.951 23 HB2 LYS 3 2HB LYS 3 13.860 7.405 9.147 24 HB3 LYS 3 1HB LYS 3 12.161 7.855 9.192 25 HG2 LYS 3 2HG LYS 3 11.752 6.539 7.179 26 HG3 LYS 3 1HG LYS 3 13.457 6.084 7.126 27 HD2 LYS 3 2HD LYS 3 13.174 5.059 9.388 28 HD3 LYS 3 1HD LYS 3 11.446 5.394 9.269 29 HE2 LYS 3 2HE LYS 3 11.864 3.104 8.630 30 HE3 LYS 3 1HE LYS 3 11.355 4.026 7.216 31 HZ1 LYS 3 3HZ LYS 3 13.193 2.620 6.642 32 HZ2 LYS 3 1HZ LYS 3 14.136 3.247 7.909 33 HZ3 LYS 3 2HZ LYS 3 13.712 4.233 6.600 34 H ASP 4 HN ASP 4 12.922 8.698 5.133 35 HA ASP 4 HA ASP 4 10.527 10.177 4.869 36 HB2 ASP 4 2HB ASP 4 11.610 7.994 3.059 37 HB3 ASP 4 1HB ASP 4 10.368 9.163 2.628 38 H LYS 5 HN LYS 5 8.891 9.506 6.231 39 HA LYS 5 HA LYS 5 8.398 6.743 6.686 40 HB2 LYS 5 2HB LYS 5 6.657 7.379 8.111 41 HB3 LYS 5 1HB LYS 5 7.816 8.691 8.238 42 HG2 LYS 5 2HG LYS 5 6.460 9.998 6.650 43 HG3 LYS 5 1HG LYS 5 5.275 8.692 6.635 44 HD2 LYS 5 2HD LYS 5 5.051 8.969 9.108 45 HD3 LYS 5 1HD LYS 5 6.098 10.386 8.990 46 HE2 LYS 5 2HE LYS 5 3.411 10.001 7.682 47 HE3 LYS 5 1HE LYS 5 3.798 11.098 9.007 48 HZ1 LYS 5 3HZ LYS 5 5.247 12.333 7.533 49 HZ2 LYS 5 1HZ LYS 5 3.687 12.252 6.879 50 HZ3 LYS 5 2HZ LYS 5 4.915 11.267 6.257 51 H GLN 6 HN GLN 6 7.147 9.085 4.393 52 HA GLN 6 HA GLN 6 4.975 7.655 3.393 53 HB2 GLN 6 2HB GLN 6 6.952 9.418 1.937 54 HB3 GLN 6 1HB GLN 6 5.494 8.783 1.203 55 HG2 GLN 6 2HG GLN 6 4.896 10.928 1.799 56 HG3 GLN 6 1HG GLN 6 4.262 9.956 3.126 57 HE21 GLN 6 1HE2 GLN 6 6.720 12.223 2.150 58 HE22 GLN 6 2HE2 GLN 6 7.226 12.658 3.753 59 H LYS 7 HN LYS 7 8.397 7.512 2.545 60 HA LYS 7 HA LYS 7 8.215 5.562 0.521 61 HB2 LYS 7 2HB LYS 7 10.161 7.084 0.942 62 HB3 LYS 7 1HB LYS 7 10.552 6.131 2.362 63 HG2 LYS 7 2HG LYS 7 10.890 4.163 0.918 64 HG3 LYS 7 1HG LYS 7 10.571 5.175 -0.493 65 HD2 LYS 7 2HD LYS 7 12.786 5.627 1.510 66 HD3 LYS 7 1HD LYS 7 12.985 4.862 -0.067 67 HE2 LYS 7 2HE LYS 7 12.257 6.911 -1.164 68 HE3 LYS 7 1HE LYS 7 12.013 7.679 0.404 69 HZ1 LYS 7 3HZ LYS 7 14.138 8.285 -0.659 70 HZ2 LYS 7 1HZ LYS 7 14.626 6.662 -0.583 71 HZ3 LYS 7 2HZ LYS 7 14.358 7.530 0.850 72 H ALA 8 HN ALA 8 8.616 5.373 3.998 73 HA ALA 8 HA ALA 8 9.107 2.554 4.055 74 HB1 ALA 8 1HB ALA 8 8.302 4.399 6.298 75 HB2 ALA 8 2HB ALA 8 9.956 4.055 5.789 76 HB3 ALA 8 3HB ALA 8 8.957 2.768 6.466 77 H ILE 9 HN ILE 9 6.262 4.600 4.424 78 HA ILE 9 HA ILE 9 4.540 2.526 5.341 79 HB ILE 9 HB ILE 9 3.953 5.201 4.080 80 HG12 ILE 9 2HG1 ILE 9 3.600 4.231 6.920 81 HG13 ILE 9 1HG1 ILE 9 4.987 5.154 6.352 82 HG21 ILE 9 1HG2 ILE 9 1.634 4.915 4.734 83 HG22 ILE 9 2HG2 ILE 9 1.980 3.288 5.324 84 HG23 ILE 9 3HG2 ILE 9 2.116 3.651 3.601 85 HD11 ILE 9 3HD1 ILE 9 3.404 6.583 7.499 86 HD12 ILE 9 1HD1 ILE 9 2.125 6.093 6.389 87 HD13 ILE 9 2HD1 ILE 9 3.503 7.020 5.795 88 H PHE 10 HN PHE 10 5.070 4.005 2.154 89 HA PHE 10 HA PHE 10 3.192 2.578 0.692 90 HB2 PHE 10 2HB PHE 10 4.435 4.455 -0.251 91 HB3 PHE 10 1HB PHE 10 5.933 3.537 -0.170 92 HD1 PHE 10 1HD PHE 10 2.614 3.684 -1.805 93 HD2 PHE 10 2HD PHE 10 6.563 2.100 -1.924 94 HE1 PHE 10 1HE PHE 10 2.207 2.851 -4.084 95 HE2 PHE 10 2HE PHE 10 6.164 1.265 -4.205 96 HZ PHE 10 HZ PHE 10 3.983 1.642 -5.286 97 H SER 11 HN SER 11 6.564 1.728 1.408 98 HA SER 11 HA SER 11 6.484 -0.756 0.034 99 HB2 SER 11 2HB SER 11 8.604 -1.204 1.369 100 HB3 SER 11 1HB SER 11 8.625 0.235 0.350 101 HG SER 11 HG SER 11 8.659 1.483 2.072 102 H GLU 12 HN GLU 12 6.069 0.183 3.425 103 HA GLU 12 HA GLU 12 5.945 -2.364 4.559 104 HB2 GLU 12 2HB GLU 12 6.033 -0.122 5.751 105 HB3 GLU 12 1HB GLU 12 4.301 -0.004 5.476 106 HG2 GLU 12 2HG GLU 12 4.679 -0.815 7.692 107 HG3 GLU 12 1HG GLU 12 4.008 -2.124 6.720 108 H ASN 13 HN ASN 13 3.287 -0.300 3.384 109 HA ASN 13 HA ASN 13 1.199 -2.081 3.925 110 HB2 ASN 13 2HB ASN 13 1.458 0.039 1.788 111 HB3 ASN 13 1HB ASN 13 -0.027 -0.857 2.082 112 HD21 ASN 13 1HD2 ASN 13 0.439 1.980 2.287 113 HD22 ASN 13 2HD2 ASN 13 0.062 2.421 3.913 114 H LEU 14 HN LEU 14 2.909 -1.528 0.862 115 HA LEU 14 HA LEU 14 1.624 -3.459 -0.658 116 HB2 LEU 14 2HB LEU 14 3.118 -1.718 -1.557 117 HB3 LEU 14 1HB LEU 14 4.496 -2.545 -0.863 118 HG LEU 14 HG LEU 14 4.009 -4.498 -2.331 119 HD11 LEU 14 1HD1 LEU 14 2.481 -4.197 -4.213 120 HD12 LEU 14 2HD1 LEU 14 1.999 -2.625 -3.575 121 HD13 LEU 14 3HD1 LEU 14 1.629 -4.093 -2.672 122 HD21 LEU 14 3HD2 LEU 14 4.435 -1.865 -3.744 123 HD22 LEU 14 1HD2 LEU 14 4.841 -3.457 -4.382 124 HD23 LEU 14 2HD2 LEU 14 5.684 -2.837 -2.961 125 H ASN 15 HN ASN 15 4.638 -3.745 1.194 126 HA ASN 15 HA ASN 15 5.237 -6.390 0.463 127 HB2 ASN 15 2HB ASN 15 6.727 -4.613 1.579 128 HB3 ASN 15 1HB ASN 15 6.015 -5.143 3.094 129 HD21 ASN 15 1HD2 ASN 15 8.769 -5.240 2.040 130 HD22 ASN 15 2HD2 ASN 15 9.250 -6.894 2.149 131 H SER 16 HN SER 16 3.287 -5.081 3.094 132 HA SER 16 HA SER 16 2.975 -7.530 4.489 133 HB2 SER 16 2HB SER 16 1.166 -5.105 4.487 134 HB3 SER 16 1HB SER 16 1.171 -6.396 5.690 135 HG SER 16 HG SER 16 3.050 -4.355 5.230 136 H TYR 17 HN TYR 17 1.063 -5.903 1.986 137 HA TYR 17 HA TYR 17 -1.055 -7.785 1.979 138 HB2 TYR 17 2HB TYR 17 -0.088 -5.852 -0.128 139 HB3 TYR 17 1HB TYR 17 -1.505 -6.875 -0.344 140 HD1 TYR 17 2HD TYR 17 -3.015 -6.762 2.022 141 HD2 TYR 17 1HD TYR 17 -0.665 -3.666 0.291 142 HE1 TYR 17 2HE TYR 17 -4.403 -5.082 3.155 143 HE2 TYR 17 1HE TYR 17 -2.050 -1.978 1.420 144 HH TYR 17 HH TYR 17 -4.237 -1.737 2.403 145 H ILE 18 HN ILE 18 1.967 -7.562 0.154 146 HA ILE 18 HA ILE 18 1.609 -9.666 -1.626 147 HB ILE 18 HB ILE 18 4.171 -8.886 -0.219 148 HG12 ILE 18 2HG1 ILE 18 3.139 -8.008 -2.921 149 HG13 ILE 18 1HG1 ILE 18 2.992 -7.047 -1.453 150 HG21 ILE 18 1HG2 ILE 18 4.330 -11.079 -1.282 151 HG22 ILE 18 2HG2 ILE 18 5.302 -9.886 -2.145 152 HG23 ILE 18 3HG2 ILE 18 3.744 -10.391 -2.797 153 HD11 ILE 18 3HD1 ILE 18 4.862 -6.314 -2.824 154 HD12 ILE 18 1HD1 ILE 18 5.574 -7.922 -2.730 155 HD13 ILE 18 2HD1 ILE 18 5.418 -6.941 -1.274 156 H ALA 19 HN ALA 19 2.771 -9.726 1.717 157 HA ALA 19 HA ALA 19 3.304 -12.524 1.749 158 HB1 ALA 19 1HB ALA 19 2.911 -10.638 4.066 159 HB2 ALA 19 2HB ALA 19 4.439 -10.966 3.250 160 HB3 ALA 19 3HB ALA 19 3.625 -12.249 4.143 161 H LYS 20 HN LYS 20 0.471 -10.589 2.422 162 HA LYS 20 HA LYS 20 -0.932 -12.730 3.735 163 HB2 LYS 20 2HB LYS 20 -1.605 -9.935 2.907 164 HB3 LYS 20 1HB LYS 20 -2.895 -11.052 3.322 165 HG2 LYS 20 2HG LYS 20 -0.571 -10.399 5.117 166 HG3 LYS 20 1HG LYS 20 -2.159 -9.632 5.209 167 HD2 LYS 20 2HD LYS 20 -3.206 -11.600 5.900 168 HD3 LYS 20 1HD LYS 20 -1.881 -12.615 5.329 169 HE2 LYS 20 2HE LYS 20 -1.676 -10.676 7.627 170 HE3 LYS 20 1HE LYS 20 -1.997 -12.401 7.803 171 HZ1 LYS 20 3HZ LYS 20 0.438 -11.169 6.629 172 HZ2 LYS 20 1HZ LYS 20 0.124 -12.837 6.673 173 HZ3 LYS 20 2HZ LYS 20 0.331 -11.970 8.116 174 H SER 21 HN SER 21 -0.982 -11.203 0.533 175 HA SER 21 HA SER 21 -3.004 -12.850 -0.541 176 HB2 SER 21 2HB SER 21 -0.723 -11.395 -1.895 177 HB3 SER 21 1HB SER 21 -2.119 -12.072 -2.715 178 HG SER 21 HG SER 21 -2.771 -10.420 -0.618 179 H GLU 22 HN GLU 22 0.401 -13.212 -0.026 180 HA GLU 22 HA GLU 22 1.892 -14.871 -0.325 181 HB2 GLU 22 2HB GLU 22 0.232 -16.129 1.037 182 HB3 GLU 22 1HB GLU 22 -0.520 -16.692 -0.448 183 HG2 GLU 22 2HG GLU 22 1.517 -17.853 -1.069 184 HG3 GLU 22 1HG GLU 22 2.329 -17.238 0.368 185 H LYS 23 HN LYS 23 2.145 -13.718 -2.402 186 HA LYS 23 HA LYS 23 1.825 -15.631 -4.604 187 HB2 LYS 23 2HB LYS 23 0.182 -13.646 -4.671 188 HB3 LYS 23 1HB LYS 23 1.589 -12.647 -5.000 189 HG2 LYS 23 2HG LYS 23 0.508 -13.173 -7.068 190 HG3 LYS 23 1HG LYS 23 2.048 -14.033 -7.002 191 HD2 LYS 23 2HD LYS 23 0.899 -16.079 -6.356 192 HD3 LYS 23 1HD LYS 23 -0.647 -15.228 -6.346 193 HE2 LYS 23 2HE LYS 23 1.133 -15.615 -8.753 194 HE3 LYS 23 1HE LYS 23 -0.320 -16.547 -8.398 195 HZ1 LYS 23 3HZ LYS 23 -0.213 -13.621 -8.918 196 HZ2 LYS 23 1HZ LYS 23 -1.617 -14.500 -8.557 197 HZ3 LYS 23 2HZ LYS 23 -0.771 -14.800 -9.991 198 H THR 24 HN THR 24 3.487 -15.311 -6.295 199 HA THR 24 HA THR 24 6.025 -14.824 -5.076 200 HB THR 24 HB THR 24 6.677 -15.191 -7.646 201 HG1 THR 24 1HG THR 24 5.094 -16.489 -8.647 202 HG21 THR 24 3HG2 THR 24 5.688 -17.366 -5.795 203 HG22 THR 24 1HG2 THR 24 7.299 -16.648 -5.772 204 HG23 THR 24 2HG2 THR 24 6.774 -17.593 -7.167 205 H GLN 25 HN GLN 25 7.387 -13.144 -5.317 206 HA GLN 25 HA GLN 25 6.385 -10.607 -5.990 207 HB2 GLN 25 2HB GLN 25 9.261 -11.522 -5.801 208 HB3 GLN 25 1HB GLN 25 8.723 -9.851 -5.788 209 HG2 GLN 25 2HG GLN 25 7.506 -10.276 -3.701 210 HG3 GLN 25 1HG GLN 25 8.093 -11.939 -3.714 211 HE21 GLN 25 1HE2 GLN 25 8.924 -8.611 -3.222 212 HE22 GLN 25 2HE2 GLN 25 10.471 -8.893 -2.504 213 H LEU 26 HN LEU 26 8.442 -12.864 -7.756 214 HA LEU 26 HA LEU 26 9.011 -11.361 -10.016 215 HB2 LEU 26 2HB LEU 26 9.577 -13.862 -9.148 216 HB3 LEU 26 1HB LEU 26 8.417 -14.231 -10.409 217 HG LEU 26 HG LEU 26 10.836 -12.517 -10.890 218 HD11 LEU 26 1HD1 LEU 26 11.574 -14.697 -10.101 219 HD12 LEU 26 2HD1 LEU 26 11.911 -14.502 -11.821 220 HD13 LEU 26 3HD1 LEU 26 10.546 -15.488 -11.295 221 HD21 LEU 26 3HD2 LEU 26 9.017 -12.321 -12.523 222 HD22 LEU 26 1HD2 LEU 26 9.046 -14.070 -12.760 223 HD23 LEU 26 2HD2 LEU 26 10.439 -13.093 -13.229 224 H GLU 27 HN GLU 27 6.209 -13.418 -9.306 225 HA GLU 27 HA GLU 27 4.906 -13.286 -11.762 226 HB2 GLU 27 2HB GLU 27 4.510 -14.574 -9.443 227 HB3 GLU 27 1HB GLU 27 3.319 -13.298 -9.251 228 HG2 GLU 27 2HG GLU 27 3.462 -15.192 -11.577 229 HG3 GLU 27 1HG GLU 27 2.406 -15.358 -10.182 230 H ILE 28 HN ILE 28 4.527 -11.288 -8.846 231 HA ILE 28 HA ILE 28 2.516 -9.609 -9.818 232 HB ILE 28 HB ILE 28 4.662 -8.876 -7.823 233 HG12 ILE 28 2HG1 ILE 28 1.949 -10.148 -7.377 234 HG13 ILE 28 1HG1 ILE 28 3.500 -10.967 -7.223 235 HG21 ILE 28 1HG2 ILE 28 3.403 -6.954 -8.641 236 HG22 ILE 28 2HG2 ILE 28 2.992 -7.298 -6.962 237 HG23 ILE 28 3HG2 ILE 28 1.885 -7.764 -8.255 238 HD11 ILE 28 3HD1 ILE 28 2.510 -8.689 -5.518 239 HD12 ILE 28 1HD1 ILE 28 4.096 -9.450 -5.382 240 HD13 ILE 28 2HD1 ILE 28 2.636 -10.382 -5.041 241 H ALA 29 HN ALA 29 6.049 -9.195 -9.819 242 HA ALA 29 HA ALA 29 6.097 -6.675 -11.067 243 HB1 ALA 29 1HB ALA 29 8.440 -7.113 -11.500 244 HB2 ALA 29 2HB ALA 29 8.201 -8.833 -11.190 245 HB3 ALA 29 3HB ALA 29 8.016 -7.668 -9.880 246 H LYS 30 HN LYS 30 6.120 -9.949 -12.361 247 HA LYS 30 HA LYS 30 6.557 -9.302 -15.063 248 HB2 LYS 30 2HB LYS 30 6.838 -11.562 -14.236 249 HB3 LYS 30 1HB LYS 30 5.149 -11.651 -13.775 250 HG2 LYS 30 2HG LYS 30 5.834 -11.178 -16.632 251 HG3 LYS 30 1HG LYS 30 6.029 -12.794 -15.954 252 HD2 LYS 30 2HD LYS 30 3.666 -12.696 -15.188 253 HD3 LYS 30 1HD LYS 30 3.496 -11.150 -16.021 254 HE2 LYS 30 2HE LYS 30 4.049 -12.240 -18.140 255 HE3 LYS 30 1HE LYS 30 4.225 -13.781 -17.300 256 HZ1 LYS 30 3HZ LYS 30 2.072 -13.727 -18.263 257 HZ2 LYS 30 1HZ LYS 30 1.739 -12.188 -17.627 258 HZ3 LYS 30 2HZ LYS 30 1.866 -13.522 -16.594 259 H SER 31 HN SER 31 3.603 -9.586 -13.143 260 HA SER 31 HA SER 31 1.829 -9.221 -15.343 261 HB2 SER 31 2HB SER 31 1.200 -10.330 -13.200 262 HB3 SER 31 1HB SER 31 1.289 -8.760 -12.398 263 HG SER 31 HG SER 31 -0.291 -8.105 -14.104 264 H ILE 32 HN ILE 32 3.694 -7.085 -13.415 265 HA ILE 32 HA ILE 32 2.152 -4.720 -14.038 266 HB ILE 32 HB ILE 32 4.936 -5.021 -12.894 267 HG12 ILE 32 2HG1 ILE 32 2.371 -4.224 -11.512 268 HG13 ILE 32 1HG1 ILE 32 3.029 -5.858 -11.493 269 HG21 ILE 32 1HG2 ILE 32 3.234 -2.541 -13.105 270 HG22 ILE 32 2HG2 ILE 32 4.695 -2.875 -14.035 271 HG23 ILE 32 3HG2 ILE 32 4.791 -2.663 -12.287 272 HD11 ILE 32 3HD1 ILE 32 4.388 -3.400 -10.407 273 HD12 ILE 32 1HD1 ILE 32 5.028 -5.045 -10.368 274 HD13 ILE 32 2HD1 ILE 32 3.573 -4.643 -9.457 275 H GLY 33 HN GLY 33 5.143 -6.242 -15.133 276 HA2 GLY 33 2HA GLY 33 5.747 -6.058 -17.494 277 HA3 GLY 33 1HA GLY 33 5.152 -4.402 -17.443 278 H VAL 34 HN VAL 34 6.926 -5.613 -14.755 279 HA VAL 34 HA VAL 34 9.328 -4.172 -15.653 280 HB VAL 34 HB VAL 34 9.734 -3.498 -13.302 281 HG11 VAL 34 1HG1 VAL 34 8.687 -1.927 -14.837 282 HG12 VAL 34 2HG1 VAL 34 8.058 -1.714 -13.203 283 HG13 VAL 34 3HG1 VAL 34 7.093 -2.555 -14.416 284 HG21 VAL 34 3HG2 VAL 34 7.900 -3.621 -11.668 285 HG22 VAL 34 1HG2 VAL 34 8.454 -5.223 -12.158 286 HG23 VAL 34 2HG2 VAL 34 6.952 -4.569 -12.812 287 H SER 35 HN SER 35 11.118 -4.788 -13.806 288 HA SER 35 HA SER 35 11.241 -7.715 -13.941 289 HB2 SER 35 2HB SER 35 13.431 -5.675 -13.496 290 HB3 SER 35 1HB SER 35 13.670 -7.417 -13.635 291 HG SER 35 HG SER 35 14.046 -6.472 -15.633 292 HA PRO 36 HA PRO 36 10.848 -8.333 -9.583 293 HB2 PRO 36 2HB PRO 36 13.364 -9.909 -9.651 294 HB3 PRO 36 1HB PRO 36 11.760 -10.376 -9.094 295 HG2 PRO 36 2HG PRO 36 12.734 -11.274 -11.411 296 HG3 PRO 36 1HG PRO 36 11.016 -10.868 -11.229 297 HD2 PRO 36 2HD PRO 36 13.200 -9.335 -12.570 298 HD3 PRO 36 1HD PRO 36 11.495 -9.516 -13.033 299 H GLN 37 HN GLN 37 14.045 -7.427 -10.790 300 HA GLN 37 HA GLN 37 15.117 -6.444 -8.376 301 HB2 GLN 37 2HB GLN 37 16.379 -6.822 -10.515 302 HB3 GLN 37 1HB GLN 37 15.631 -5.371 -11.156 303 HG2 GLN 37 2HG GLN 37 16.663 -4.060 -9.352 304 HG3 GLN 37 1HG GLN 37 17.455 -5.522 -8.765 305 HE21 GLN 37 1HE2 GLN 37 19.509 -4.701 -9.077 306 HE22 GLN 37 2HE2 GLN 37 20.194 -4.501 -10.659 307 H THR 38 HN THR 38 13.077 -4.988 -10.840 308 HA THR 38 HA THR 38 13.155 -2.333 -9.830 309 HB THR 38 HB THR 38 10.863 -3.540 -11.387 310 HG1 THR 38 1HG THR 38 13.002 -2.320 -12.736 311 HG21 THR 38 3HG2 THR 38 10.558 -1.251 -10.574 312 HG22 THR 38 1HG2 THR 38 10.699 -1.283 -12.333 313 HG23 THR 38 2HG2 THR 38 12.071 -0.769 -11.347 314 H PHE 39 HN PHE 39 11.056 -5.099 -9.410 315 HA PHE 39 HA PHE 39 9.142 -3.923 -7.717 316 HB2 PHE 39 2HB PHE 39 9.014 -6.141 -8.960 317 HB3 PHE 39 1HB PHE 39 10.035 -6.807 -7.691 318 HD1 PHE 39 1HD PHE 39 6.787 -5.092 -8.241 319 HD2 PHE 39 2HD PHE 39 9.114 -7.612 -5.722 320 HE1 PHE 39 1HE PHE 39 4.804 -5.527 -6.852 321 HE2 PHE 39 2HE PHE 39 7.136 -8.053 -4.331 322 HZ PHE 39 HZ PHE 39 4.978 -7.011 -4.895 323 H ASN 40 HN ASN 40 12.269 -5.398 -7.159 324 HA ASN 40 HA ASN 40 12.115 -5.660 -4.361 325 HB2 ASN 40 2HB ASN 40 13.798 -6.833 -5.674 326 HB3 ASN 40 1HB ASN 40 14.526 -5.304 -6.153 327 HD21 ASN 40 1HD2 ASN 40 14.010 -7.530 -3.523 328 HD22 ASN 40 2HD2 ASN 40 15.275 -6.935 -2.508 329 H THR 41 HN THR 41 13.135 -2.962 -6.419 330 HA THR 41 HA THR 41 14.224 -1.395 -4.340 331 HB THR 41 HB THR 41 14.033 0.529 -5.843 332 HG1 THR 41 1HG THR 41 12.307 -1.203 -7.259 333 HG21 THR 41 3HG2 THR 41 15.382 -0.333 -7.694 334 HG22 THR 41 1HG2 THR 41 14.913 -1.980 -7.270 335 HG23 THR 41 2HG2 THR 41 15.890 -1.026 -6.154 336 H TRP 42 HN TRP 42 10.965 -2.013 -5.305 337 HA TRP 42 HA TRP 42 9.903 0.197 -3.745 338 HB2 TRP 42 2HB TRP 42 8.419 -2.080 -5.080 339 HB3 TRP 42 1HB TRP 42 7.722 -0.585 -4.470 340 HD1 TRP 42 1HD TRP 42 10.188 1.201 -5.867 341 HE1 TRP 42 1HE TRP 42 9.963 1.675 -8.386 342 HE3 TRP 42 3HE TRP 42 6.851 -2.477 -7.086 343 HZ2 TRP 42 2HZ TRP 42 8.532 0.644 -10.592 344 HZ3 TRP 42 3HZ TRP 42 6.100 -2.661 -9.422 345 HH2 TRP 42 2HH TRP 42 6.926 -1.133 -11.138 346 H CYS 43 HN CYS 43 10.168 -3.309 -3.622 347 HA CYS 43 HA CYS 43 8.563 -3.734 -1.342 348 HB2 CYS 43 2HB CYS 43 9.230 -5.461 -3.028 349 HB3 CYS 43 1HB CYS 43 10.852 -5.435 -2.348 350 HG CYS 43 HG CYS 43 10.398 -6.882 -0.231 351 H LYS 44 HN LYS 44 12.033 -3.141 -1.719 352 HA LYS 44 HA LYS 44 12.534 -3.412 1.104 353 HB2 LYS 44 2HB LYS 44 14.047 -3.391 -1.285 354 HB3 LYS 44 1HB LYS 44 14.635 -2.064 -0.290 355 HG2 LYS 44 2HG LYS 44 14.232 -4.754 0.919 356 HG3 LYS 44 1HG LYS 44 15.657 -4.429 -0.063 357 HD2 LYS 44 2HD LYS 44 16.399 -2.726 1.399 358 HD3 LYS 44 1HD LYS 44 14.835 -2.647 2.213 359 HE2 LYS 44 2HE LYS 44 16.553 -5.111 2.252 360 HE3 LYS 44 1HE LYS 44 16.720 -3.824 3.446 361 HZ1 LYS 44 3HZ LYS 44 15.238 -5.713 4.102 362 HZ2 LYS 44 1HZ LYS 44 14.150 -5.207 2.905 363 HZ3 LYS 44 2HZ LYS 44 14.525 -4.179 4.201 364 H GLY 45 HN GLY 45 10.999 -1.098 -0.612 365 HA2 GLY 45 2HA GLY 45 10.504 1.112 -0.240 366 HA3 GLY 45 1HA GLY 45 11.132 0.875 1.385 367 H ILE 46 HN ILE 46 12.730 0.710 -1.778 368 HA ILE 46 HA ILE 46 14.822 2.474 -0.764 369 HB ILE 46 HB ILE 46 14.673 0.899 -3.343 370 HG12 ILE 46 2HG1 ILE 46 16.279 0.391 -0.823 371 HG13 ILE 46 1HG1 ILE 46 14.837 -0.498 -1.304 372 HG21 ILE 46 1HG2 ILE 46 16.063 2.882 -3.590 373 HG22 ILE 46 2HG2 ILE 46 17.057 1.427 -3.582 374 HG23 ILE 46 3HG2 ILE 46 16.973 2.446 -2.145 375 HD11 ILE 46 3HD1 ILE 46 17.436 -0.412 -2.822 376 HD12 ILE 46 1HD1 ILE 46 15.995 -1.314 -3.287 377 HD13 ILE 46 2HD1 ILE 46 16.864 -1.740 -1.812 378 H ALA 47 HN ALA 47 12.625 2.206 -3.542 379 HA ALA 47 HA ALA 47 12.726 5.124 -3.824 380 HB1 ALA 47 1HB ALA 47 14.277 4.125 -5.475 381 HB2 ALA 47 2HB ALA 47 12.925 4.972 -6.229 382 HB3 ALA 47 3HB ALA 47 12.928 3.208 -6.149 383 H ILE 48 HN ILE 48 10.867 6.033 -4.799 384 HA ILE 48 HA ILE 48 8.522 4.272 -4.725 385 HB ILE 48 HB ILE 48 8.701 7.279 -4.453 386 HG12 ILE 48 2HG1 ILE 48 7.787 5.177 -2.484 387 HG13 ILE 48 1HG1 ILE 48 9.385 5.911 -2.483 388 HG21 ILE 48 1HG2 ILE 48 6.285 7.236 -4.057 389 HG22 ILE 48 2HG2 ILE 48 6.258 5.511 -4.419 390 HG23 ILE 48 3HG2 ILE 48 6.686 6.668 -5.678 391 HD11 ILE 48 3HD1 ILE 48 7.923 6.920 -0.815 392 HD12 ILE 48 1HD1 ILE 48 6.780 7.364 -2.079 393 HD13 ILE 48 2HD1 ILE 48 8.387 8.092 -2.046 394 HA PRO 49 HA PRO 49 8.458 4.649 -9.155 395 HB2 PRO 49 2HB PRO 49 6.131 3.333 -9.549 396 HB3 PRO 49 1HB PRO 49 7.619 2.497 -9.103 397 HG2 PRO 49 2HG PRO 49 5.344 3.353 -7.341 398 HG3 PRO 49 1HG PRO 49 6.188 1.793 -7.392 399 HD2 PRO 49 2HD PRO 49 6.770 3.671 -5.543 400 HD3 PRO 49 1HD PRO 49 8.012 2.596 -6.223 401 H ARG 50 HN ARG 50 6.829 5.400 -10.812 402 HA ARG 50 HA ARG 50 5.452 7.752 -9.787 403 HB2 ARG 50 2HB ARG 50 5.950 6.898 -12.647 404 HB3 ARG 50 1HB ARG 50 5.318 8.452 -12.122 405 HG2 ARG 50 2HG ARG 50 7.428 8.925 -10.978 406 HG3 ARG 50 1HG ARG 50 8.061 7.367 -11.513 407 HD2 ARG 50 2HD ARG 50 7.614 8.150 -13.875 408 HD3 ARG 50 1HD ARG 50 7.324 9.751 -13.196 409 HE ARG 50 HE ARG 50 9.789 8.836 -12.247 410 HH11 ARG 50 1HH1 ARG 50 8.309 9.952 -15.211 411 HH12 ARG 50 2HH1 ARG 50 9.824 10.338 -15.973 412 HH21 ARG 50 1HH2 ARG 50 11.777 9.364 -13.212 413 HH22 ARG 50 2HH2 ARG 50 11.808 10.012 -14.830 414 H MET 51 HN MET 51 3.315 8.261 -10.986 415 HA MET 51 HA MET 51 1.415 6.568 -9.932 416 HB2 MET 51 2HB MET 51 1.307 8.757 -11.941 417 HB3 MET 51 1HB MET 51 -0.121 7.755 -11.730 418 HG2 MET 51 2HG MET 51 1.283 9.272 -9.543 419 HG3 MET 51 1HG MET 51 -0.186 9.785 -10.370 420 HE1 MET 51 3HE MET 51 -1.460 10.061 -8.052 421 HE2 MET 51 1HE MET 51 0.021 9.591 -7.213 422 HE3 MET 51 2HE MET 51 -1.509 8.804 -6.812 423 H GLY 52 HN GLY 52 2.613 6.591 -13.274 424 HA2 GLY 52 2HA GLY 52 0.722 4.872 -14.401 425 HA3 GLY 52 1HA GLY 52 2.374 5.059 -14.968 426 H LYS 53 HN LYS 53 3.561 4.140 -12.474 427 HA LYS 53 HA LYS 53 3.313 1.291 -12.980 428 HB2 LYS 53 2HB LYS 53 5.146 2.790 -11.092 429 HB3 LYS 53 1HB LYS 53 5.257 1.082 -11.493 430 HG2 LYS 53 2HG LYS 53 5.681 1.682 -13.843 431 HG3 LYS 53 1HG LYS 53 5.642 3.387 -13.390 432 HD2 LYS 53 2HD LYS 53 7.527 2.961 -11.827 433 HD3 LYS 53 1HD LYS 53 7.602 1.303 -12.428 434 HE2 LYS 53 2HE LYS 53 8.007 2.165 -14.696 435 HE3 LYS 53 1HE LYS 53 7.986 3.809 -14.066 436 HZ1 LYS 53 3HZ LYS 53 10.223 3.258 -14.197 437 HZ2 LYS 53 1HZ LYS 53 9.992 1.684 -13.602 438 HZ3 LYS 53 2HZ LYS 53 9.863 3.016 -12.557 439 H VAL 54 HN VAL 54 2.635 3.620 -10.453 440 HA VAL 54 HA VAL 54 1.920 1.831 -8.400 441 HB VAL 54 HB VAL 54 0.845 4.616 -8.919 442 HG11 VAL 54 1HG1 VAL 54 0.843 2.939 -6.412 443 HG12 VAL 54 2HG1 VAL 54 -0.566 3.411 -7.365 444 HG13 VAL 54 3HG1 VAL 54 0.366 4.635 -6.501 445 HG21 VAL 54 3HG2 VAL 54 2.551 5.322 -7.273 446 HG22 VAL 54 1HG2 VAL 54 3.257 4.646 -8.745 447 HG23 VAL 54 2HG2 VAL 54 3.191 3.677 -7.271 448 H GLN 55 HN GLN 55 0.139 3.131 -11.143 449 HA GLN 55 HA GLN 55 -2.434 2.288 -10.410 450 HB2 GLN 55 2HB GLN 55 -1.233 2.559 -13.170 451 HB3 GLN 55 1HB GLN 55 -2.947 2.348 -12.841 452 HG2 GLN 55 2HG GLN 55 -1.220 4.693 -12.093 453 HG3 GLN 55 1HG GLN 55 -2.534 4.654 -13.268 454 HE21 GLN 55 1HE2 GLN 55 -1.684 4.799 -9.922 455 HE22 GLN 55 2HE2 GLN 55 -3.267 5.135 -9.318 456 H ALA 56 HN ALA 56 0.209 0.574 -11.998 457 HA ALA 56 HA ALA 56 -1.298 -1.746 -12.647 458 HB1 ALA 56 1HB ALA 56 0.866 -2.808 -13.032 459 HB2 ALA 56 2HB ALA 56 1.681 -1.454 -12.249 460 HB3 ALA 56 3HB ALA 56 0.812 -1.206 -13.764 461 H LEU 57 HN LEU 57 0.747 -0.841 -9.910 462 HA LEU 57 HA LEU 57 0.624 -3.229 -8.457 463 HB2 LEU 57 2HB LEU 57 0.854 -0.356 -7.565 464 HB3 LEU 57 1HB LEU 57 0.998 -1.712 -6.468 465 HG LEU 57 HG LEU 57 2.807 -1.329 -8.851 466 HD11 LEU 57 1HD1 LEU 57 3.246 -0.530 -5.977 467 HD12 LEU 57 2HD1 LEU 57 3.069 0.565 -7.348 468 HD13 LEU 57 3HD1 LEU 57 4.468 -0.503 -7.247 469 HD21 LEU 57 3HD2 LEU 57 4.232 -2.916 -7.640 470 HD22 LEU 57 1HD2 LEU 57 2.654 -3.614 -8.011 471 HD23 LEU 57 2HD2 LEU 57 3.006 -3.047 -6.377 472 H ALA 58 HN ALA 58 -1.428 -0.346 -8.323 473 HA ALA 58 HA ALA 58 -3.178 -1.286 -6.326 474 HB1 ALA 58 1HB ALA 58 -2.940 1.087 -6.917 475 HB2 ALA 58 2HB ALA 58 -4.621 0.553 -6.965 476 HB3 ALA 58 3HB ALA 58 -3.722 0.767 -8.466 477 H ASP 59 HN ASP 59 -3.081 -1.766 -9.772 478 HA ASP 59 HA ASP 59 -5.799 -2.678 -9.994 479 HB2 ASP 59 2HB ASP 59 -4.610 -1.621 -11.896 480 HB3 ASP 59 1HB ASP 59 -3.499 -2.985 -11.939 481 H TYR 60 HN TYR 60 -2.613 -4.180 -9.802 482 HA TYR 60 HA TYR 60 -3.395 -6.831 -10.249 483 HB2 TYR 60 2HB TYR 60 -1.037 -6.015 -10.215 484 HB3 TYR 60 1HB TYR 60 -1.147 -5.881 -8.463 485 HD1 TYR 60 2HD TYR 60 -1.225 -8.267 -11.286 486 HD2 TYR 60 1HD TYR 60 -0.864 -7.790 -7.074 487 HE1 TYR 60 2HE TYR 60 -0.569 -10.624 -11.079 488 HE2 TYR 60 1HE TYR 60 -0.209 -10.150 -6.859 489 HH TYR 60 HH TYR 60 0.566 -12.098 -9.611 490 H PHE 61 HN PHE 61 -3.215 -4.939 -7.264 491 HA PHE 61 HA PHE 61 -4.253 -7.157 -5.705 492 HB2 PHE 61 2HB PHE 61 -3.450 -4.338 -4.983 493 HB3 PHE 61 1HB PHE 61 -4.179 -5.449 -3.830 494 HD1 PHE 61 1HD PHE 61 -1.197 -4.703 -5.814 495 HD2 PHE 61 2HD PHE 61 -2.953 -7.344 -2.976 496 HE1 PHE 61 1HE PHE 61 1.020 -5.662 -5.339 497 HE2 PHE 61 2HE PHE 61 -0.741 -8.306 -2.497 498 HZ PHE 61 HZ PHE 61 1.248 -7.466 -3.679 499 H ASN 62 HN ASN 62 -5.430 -4.597 -7.537 500 HA ASN 62 HA ASN 62 -7.511 -3.910 -8.092 501 HB2 ASN 62 2HB ASN 62 -7.807 -6.461 -8.105 502 HB3 ASN 62 1HB ASN 62 -8.618 -6.257 -6.556 503 HD21 ASN 62 1HD2 ASN 62 -8.766 -3.999 -9.241 504 HD22 ASN 62 2HD2 ASN 62 -10.444 -4.226 -9.589 505 H ILE 63 HN ILE 63 -6.354 -2.885 -5.662 506 HA ILE 63 HA ILE 63 -8.747 -2.484 -4.004 507 HB ILE 63 HB ILE 63 -6.911 -1.341 -2.465 508 HG12 ILE 63 2HG1 ILE 63 -5.318 -3.460 -3.930 509 HG13 ILE 63 1HG1 ILE 63 -5.082 -1.729 -4.133 510 HG21 ILE 63 1HG2 ILE 63 -6.703 -3.496 -1.285 511 HG22 ILE 63 2HG2 ILE 63 -7.353 -4.317 -2.704 512 HG23 ILE 63 3HG2 ILE 63 -8.354 -3.174 -1.812 513 HD11 ILE 63 3HD1 ILE 63 -3.424 -2.683 -2.640 514 HD12 ILE 63 1HD1 ILE 63 -4.702 -3.277 -1.582 515 HD13 ILE 63 2HD1 ILE 63 -4.459 -1.541 -1.781 516 H ASN 64 HN ASN 64 -6.011 -0.276 -4.148 517 HA ASN 64 HA ASN 64 -7.049 1.566 -5.996 518 HB2 ASN 64 2HB ASN 64 -8.633 1.761 -3.886 519 HB3 ASN 64 1HB ASN 64 -7.282 2.654 -3.205 520 HD21 ASN 64 1HD2 ASN 64 -9.955 3.598 -3.856 521 HD22 ASN 64 2HD2 ASN 64 -9.743 4.896 -4.991 522 H LYS 65 HN LYS 65 -5.754 3.581 -5.969 523 HA LYS 65 HA LYS 65 -3.016 3.064 -5.378 524 HB2 LYS 65 2HB LYS 65 -2.678 5.408 -6.147 525 HB3 LYS 65 1HB LYS 65 -3.614 4.439 -7.277 526 HG2 LYS 65 2HG LYS 65 -5.675 5.447 -6.149 527 HG3 LYS 65 1HG LYS 65 -4.555 6.620 -5.453 528 HD2 LYS 65 2HD LYS 65 -3.836 7.282 -7.682 529 HD3 LYS 65 1HD LYS 65 -4.899 6.071 -8.401 530 HE2 LYS 65 2HE LYS 65 -6.803 7.254 -7.209 531 HE3 LYS 65 1HE LYS 65 -5.659 8.555 -6.891 532 HZ1 LYS 65 3HZ LYS 65 -6.411 7.535 -9.577 533 HZ2 LYS 65 1HZ LYS 65 -5.329 8.809 -9.269 534 HZ3 LYS 65 2HZ LYS 65 -6.971 8.972 -8.878 535 H SER 66 HN SER 66 -5.624 4.680 -3.751 536 HA SER 66 HA SER 66 -4.163 6.269 -1.965 537 HB2 SER 66 2HB SER 66 -6.868 4.995 -1.509 538 HB3 SER 66 1HB SER 66 -6.235 6.445 -0.727 539 HG SER 66 HG SER 66 -6.833 7.564 -2.397 540 H ASP 67 HN ASP 67 -5.299 2.920 -1.730 541 HA ASP 67 HA ASP 67 -4.714 2.514 0.989 542 HB2 ASP 67 2HB ASP 67 -4.813 0.519 -1.285 543 HB3 ASP 67 1HB ASP 67 -4.737 0.083 0.417 544 H LEU 68 HN LEU 68 -2.654 2.595 -1.779 545 HA LEU 68 HA LEU 68 -0.512 1.176 -0.402 546 HB2 LEU 68 2HB LEU 68 -0.664 2.308 -3.196 547 HB3 LEU 68 1HB LEU 68 0.699 1.414 -2.552 548 HG LEU 68 HG LEU 68 -2.089 0.316 -2.923 549 HD11 LEU 68 1HD1 LEU 68 -0.981 0.703 -5.054 550 HD12 LEU 68 2HD1 LEU 68 -1.078 -1.024 -4.707 551 HD13 LEU 68 3HD1 LEU 68 0.448 -0.167 -4.488 552 HD21 LEU 68 3HD2 LEU 68 0.467 -1.035 -2.058 553 HD22 LEU 68 1HD2 LEU 68 -1.061 -1.847 -2.399 554 HD23 LEU 68 2HD2 LEU 68 -0.942 -0.723 -1.045 555 H ILE 69 HN ILE 69 -1.300 4.388 -1.604 556 HA ILE 69 HA ILE 69 1.337 5.442 -1.173 557 HB ILE 69 HB ILE 69 -1.266 6.854 -1.790 558 HG12 ILE 69 2HG1 ILE 69 -0.512 5.341 -3.569 559 HG13 ILE 69 1HG1 ILE 69 -0.374 7.020 -4.072 560 HG21 ILE 69 1HG2 ILE 69 0.132 8.781 -2.401 561 HG22 ILE 69 2HG2 ILE 69 1.556 7.920 -1.813 562 HG23 ILE 69 3HG2 ILE 69 0.273 8.372 -0.692 563 HD11 ILE 69 3HD1 ILE 69 1.874 5.245 -3.153 564 HD12 ILE 69 1HD1 ILE 69 2.035 6.948 -3.587 565 HD13 ILE 69 2HD1 ILE 69 1.548 5.769 -4.806 566 H GLU 70 HN GLU 70 -1.737 5.538 0.577 567 HA GLU 70 HA GLU 70 -0.628 7.446 2.459 568 HB2 GLU 70 2HB GLU 70 -3.402 6.384 1.986 569 HB3 GLU 70 1HB GLU 70 -2.992 7.416 3.342 570 HG2 GLU 70 2HG GLU 70 -2.266 9.166 1.839 571 HG3 GLU 70 1HG GLU 70 -2.586 8.127 0.454 572 H ASP 71 HN ASP 71 -1.441 7.048 4.804 573 HA ASP 71 HA ASP 71 0.113 4.885 5.753 574 HB2 ASP 71 2HB ASP 71 -0.491 7.197 6.844 575 HB3 ASP 71 1HB ASP 71 -1.874 6.320 7.484 576 H LYS 72 HN LYS 72 -0.663 3.255 7.300 577 HA LYS 72 HA LYS 72 -2.829 1.753 6.104 578 HB2 LYS 72 2HB LYS 72 -0.599 0.793 6.823 579 HB3 LYS 72 1HB LYS 72 -1.107 1.036 8.486 580 HG2 LYS 72 2HG LYS 72 -3.014 -0.474 8.096 581 HG3 LYS 72 1HG LYS 72 -2.426 -0.754 6.457 582 HD2 LYS 72 2HD LYS 72 -0.353 -1.678 7.346 583 HD3 LYS 72 1HD LYS 72 -0.904 -1.357 8.991 584 HE2 LYS 72 2HE LYS 72 -2.265 -3.194 7.022 585 HE3 LYS 72 1HE LYS 72 -1.202 -3.714 8.329 586 HZ1 LYS 72 3HZ LYS 72 -3.721 -2.185 8.746 587 HZ2 LYS 72 1HZ LYS 72 -2.746 -2.896 9.942 588 HZ3 LYS 72 2HZ LYS 72 -3.608 -3.868 8.847 589 H LYS 73 HN LYS 73 -3.243 4.253 7.805 590 HA LYS 73 HA LYS 73 -4.616 3.290 10.151 591 HB2 LYS 73 2HB LYS 73 -4.680 6.092 9.046 592 HB3 LYS 73 1HB LYS 73 -4.961 5.572 10.691 593 HG2 LYS 73 2HG LYS 73 -2.336 5.571 9.235 594 HG3 LYS 73 1HG LYS 73 -2.831 6.662 10.528 595 HD2 LYS 73 2HD LYS 73 -2.488 3.678 10.802 596 HD3 LYS 73 1HD LYS 73 -1.307 4.886 11.303 597 HE2 LYS 73 2HE LYS 73 -3.004 5.826 12.851 598 HE3 LYS 73 1HE LYS 73 -4.089 4.509 12.408 599 HZ1 LYS 73 3HZ LYS 73 -2.232 2.979 13.144 600 HZ2 LYS 73 1HZ LYS 73 -3.031 3.832 14.376 601 HZ3 LYS 73 2HZ LYS 73 -1.511 4.342 13.852 602 H LEU 74 HN LEU 74 -5.434 2.887 7.204 603 HA LEU 74 HA LEU 74 -8.015 4.070 6.965 604 HB2 LEU 74 2HB LEU 74 -6.711 1.801 5.460 605 HB3 LEU 74 1HB LEU 74 -8.240 2.529 5.033 606 HG LEU 74 HG LEU 74 -5.580 3.949 5.039 607 HD11 LEU 74 1HD1 LEU 74 -5.817 3.961 2.614 608 HD12 LEU 74 2HD1 LEU 74 -7.302 3.023 2.747 609 HD13 LEU 74 3HD1 LEU 74 -5.765 2.312 3.237 610 HD21 LEU 74 3HD2 LEU 74 -7.434 5.440 5.588 611 HD22 LEU 74 1HD2 LEU 74 -8.303 4.891 4.156 612 HD23 LEU 74 2HD2 LEU 74 -6.793 5.782 3.981 613 H ASN 75 HN ASN 75 -8.794 3.433 9.026 614 HA ASN 75 HA ASN 75 -9.351 0.649 9.549 615 HB2 ASN 75 2HB ASN 75 -8.763 2.174 11.388 616 HB3 ASN 75 1HB ASN 75 -10.182 3.152 11.034 617 HD21 ASN 75 1HD2 ASN 75 -11.183 2.886 12.968 618 HD22 ASN 75 2HD2 ASN 75 -11.821 1.367 13.508 619 H ILE 76 HN ILE 76 -10.910 -0.253 8.374 620 HA ILE 76 HA ILE 76 -13.143 1.142 7.303 621 HB ILE 76 HB ILE 76 -12.853 -1.848 7.682 622 HG12 ILE 76 2HG1 ILE 76 -12.015 -0.135 5.331 623 HG13 ILE 76 1HG1 ILE 76 -10.914 -0.879 6.484 624 HG21 ILE 76 1HG2 ILE 76 -14.499 -0.234 5.740 625 HG22 ILE 76 2HG2 ILE 76 -15.110 -1.150 7.116 626 HG23 ILE 76 3HG2 ILE 76 -14.366 -1.994 5.758 627 HD11 ILE 76 3HD1 ILE 76 -12.753 -2.328 4.593 628 HD12 ILE 76 1HD1 ILE 76 -11.677 -3.094 5.765 629 HD13 ILE 76 2HD1 ILE 76 -11.004 -2.155 4.432 630 H ASP 77 HN ASP 77 -15.369 0.910 7.894 631 HA ASP 77 HA ASP 77 -15.751 1.043 10.731 632 HB2 ASP 77 2HB ASP 77 -18.051 1.653 10.211 633 HB3 ASP 77 1HB ASP 77 -16.942 2.547 9.177 634 H THR 78 HN THR 78 -15.211 -1.573 9.191 635 HA THR 78 HA THR 78 -17.494 -3.190 9.935 636 HB THR 78 HB THR 78 -15.957 -5.063 9.094 637 HG1 THR 78 1HG THR 78 -13.950 -4.235 9.054 638 HG21 THR 78 3HG2 THR 78 -16.375 -4.499 6.748 639 HG22 THR 78 1HG2 THR 78 -16.679 -2.820 7.199 640 HG23 THR 78 2HG2 THR 78 -17.769 -4.095 7.751 641 H VAL 79 HN VAL 79 -16.310 -5.526 10.797 642 HA VAL 79 HA VAL 79 -15.205 -4.734 13.405 643 HB VAL 79 HB VAL 79 -17.281 -5.923 13.680 644 HG11 VAL 79 1HG1 VAL 79 -17.369 -7.109 11.558 645 HG12 VAL 79 2HG1 VAL 79 -17.633 -8.217 12.903 646 HG13 VAL 79 3HG1 VAL 79 -16.072 -8.178 12.082 647 HG21 VAL 79 3HG2 VAL 79 -14.940 -7.690 14.381 648 HG22 VAL 79 1HG2 VAL 79 -16.552 -7.799 15.088 649 HG23 VAL 79 2HG2 VAL 79 -15.573 -6.355 15.342 650 HA PRO 80 HA PRO 80 -11.512 -6.183 11.155 651 HB2 PRO 80 2HB PRO 80 -9.785 -5.251 13.102 652 HB3 PRO 80 1HB PRO 80 -10.373 -4.297 11.737 653 HG2 PRO 80 2HG PRO 80 -11.355 -4.378 14.559 654 HG3 PRO 80 1HG PRO 80 -11.143 -2.983 13.484 655 HD2 PRO 80 2HD PRO 80 -13.564 -4.027 13.929 656 HD3 PRO 80 1HD PRO 80 -13.109 -3.424 12.322 657 H ILE 81 HN ILE 81 -10.318 -7.987 11.327 658 HA ILE 81 HA ILE 81 -10.961 -9.934 13.266 659 HB ILE 81 HB ILE 81 -8.620 -9.915 11.351 660 HG12 ILE 81 2HG1 ILE 81 -11.399 -11.060 10.991 661 HG13 ILE 81 1HG1 ILE 81 -10.796 -9.598 10.219 662 HG21 ILE 81 1HG2 ILE 81 -10.000 -12.223 12.723 663 HG22 ILE 81 2HG2 ILE 81 -8.413 -11.575 13.138 664 HG23 ILE 81 3HG2 ILE 81 -8.670 -12.340 11.570 665 HD11 ILE 81 3HD1 ILE 81 -10.761 -11.503 8.705 666 HD12 ILE 81 1HD1 ILE 81 -9.700 -12.370 9.818 667 HD13 ILE 81 2HD1 ILE 81 -9.133 -10.902 9.023 668 H GLU 82 HN GLU 82 -9.828 -10.724 14.982 669 HA GLU 82 HA GLU 82 -8.380 -8.982 16.583 670 HB2 GLU 82 2HB GLU 82 -8.100 -11.981 16.721 671 HB3 GLU 82 1HB GLU 82 -7.963 -10.823 18.034 672 HG2 GLU 82 2HG GLU 82 -10.025 -11.797 18.392 673 HG3 GLU 82 1HG GLU 82 -10.433 -10.301 17.554 674 H SER 83 HN SER 83 -6.563 -8.042 15.856 675 HA SER 83 HA SER 83 -4.264 -9.787 15.354 676 HB2 SER 83 2HB SER 83 -5.185 -8.996 13.160 677 HB3 SER 83 1HB SER 83 -4.912 -7.339 13.685 678 HG SER 83 HG SER 83 -2.746 -9.100 13.821 679 H GLY 84 HN GLY 84 -2.419 -9.085 16.320 680 HA2 GLY 84 2HA GLY 84 -2.737 -6.803 18.124 681 HA3 GLY 84 1HA GLY 84 -1.512 -8.057 18.242 682 H TYR 85 HN TYR 85 -0.530 -5.687 18.604 683 HA TYR 85 HA TYR 85 1.010 -5.236 16.164 684 HB2 TYR 85 2HB TYR 85 -0.843 -3.549 16.171 685 HB3 TYR 85 1HB TYR 85 -0.234 -2.947 17.709 686 HD1 TYR 85 2HD TYR 85 0.505 -3.270 14.113 687 HD2 TYR 85 1HD TYR 85 1.658 -1.507 17.803 688 HE1 TYR 85 2HE TYR 85 2.033 -1.770 12.910 689 HE2 TYR 85 1HE TYR 85 3.186 0.004 16.613 690 HH TYR 85 HH TYR 85 4.435 0.006 14.418 691 H THR 86 HN THR 86 3.136 -4.930 16.597 692 HA THR 86 HA THR 86 3.880 -4.959 19.430 693 HB THR 86 HB THR 86 6.182 -5.546 18.503 694 HG1 THR 86 1HG THR 86 5.716 -4.839 16.315 695 HG21 THR 86 3HG2 THR 86 3.892 -7.427 17.919 696 HG22 THR 86 1HG2 THR 86 4.661 -7.200 19.488 697 HG23 THR 86 2HG2 THR 86 5.579 -7.888 18.148 698 H LEU 87 HN LEU 87 4.932 -3.338 20.408 699 HA LEU 87 HA LEU 87 5.538 -0.963 18.792 700 HB2 LEU 87 2HB LEU 87 4.779 -1.330 21.674 701 HB3 LEU 87 1HB LEU 87 5.582 0.131 21.143 702 HG LEU 87 HG LEU 87 3.242 0.570 21.243 703 HD11 LEU 87 1HD1 LEU 87 2.741 1.184 18.926 704 HD12 LEU 87 2HD1 LEU 87 4.085 0.180 18.380 705 HD13 LEU 87 3HD1 LEU 87 4.395 1.598 19.383 706 HD21 LEU 87 3HD2 LEU 87 2.433 -1.734 21.152 707 HD22 LEU 87 1HD2 LEU 87 2.833 -1.808 19.435 708 HD23 LEU 87 2HD2 LEU 87 1.580 -0.704 20.005 709 H GLU 88 HN GLU 88 7.552 -0.237 18.608 710 HA GLU 88 HA GLU 88 9.736 -1.680 19.759 711 HB2 GLU 88 2HB GLU 88 9.554 0.803 18.066 712 HB3 GLU 88 1HB GLU 88 11.083 0.262 18.738 713 HG2 GLU 88 2HG GLU 88 10.931 -0.504 16.490 714 HG3 GLU 88 1HG GLU 88 10.784 -1.893 17.563 715 H HIS 89 HN HIS 89 10.728 -1.314 21.623 716 HA HIS 89 HA HIS 89 10.266 1.250 22.986 717 HB2 HIS 89 2HB HIS 89 11.010 -1.463 24.095 718 HB3 HIS 89 1HB HIS 89 11.043 0.015 25.051 719 HD1 HIS 89 1HD HIS 89 9.142 -2.576 25.414 720 HD2 HIS 89 2HD HIS 89 8.095 1.145 23.876 721 HE1 HIS 89 1HE HIS 89 6.661 -2.370 25.760 722 HE2 HIS 89 2HE HIS 89 6.102 -0.014 25.047 723 H HIS 90 HN HIS 90 11.956 2.547 23.465 724 HA HIS 90 HA HIS 90 14.425 1.959 22.087 725 HB2 HIS 90 2HB HIS 90 13.544 4.360 23.697 726 HB3 HIS 90 1HB HIS 90 15.098 4.246 22.876 727 HD1 HIS 90 1HD HIS 90 15.060 4.251 20.253 728 HD2 HIS 90 2HD HIS 90 11.375 4.934 22.064 729 HE1 HIS 90 1HE HIS 90 13.550 5.111 18.430 730 HE2 HIS 90 2HE HIS 90 11.282 5.317 19.504 731 H HIS 91 HN HIS 91 13.364 2.312 25.426 732 HA HIS 91 HA HIS 91 14.250 1.658 27.394 733 HB2 HIS 91 2HB HIS 91 14.386 -0.530 26.293 734 HB3 HIS 91 1HB HIS 91 15.978 -0.124 25.665 735 HD1 HIS 91 1HD HIS 91 17.969 -0.525 27.188 736 HD2 HIS 91 2HD HIS 91 14.310 -0.960 29.129 737 HE1 HIS 91 1HE HIS 91 18.503 -1.508 29.443 738 HE2 HIS 91 2HE HIS 91 16.266 -1.952 30.513 739 H HIS 92 HN HIS 92 15.120 3.647 27.939 740 HA HIS 92 HA HIS 92 18.042 3.584 27.990 741 HB2 HIS 92 2HB HIS 92 18.267 5.969 27.583 742 HB3 HIS 92 1HB HIS 92 17.436 5.218 26.229 743 HD1 HIS 92 1HD HIS 92 17.194 7.981 28.590 744 HD2 HIS 92 2HD HIS 92 14.535 5.750 26.281 745 HE1 HIS 92 1HE HIS 92 15.090 9.352 28.455 746 HE2 HIS 92 2HE HIS 92 13.479 7.974 27.087 747 H HIS 93 HN HIS 93 18.632 3.455 30.019 748 HA HIS 93 HA HIS 93 16.716 4.021 32.096 749 HB2 HIS 93 2HB HIS 93 18.277 2.018 32.058 750 HB3 HIS 93 1HB HIS 93 19.580 3.129 32.465 751 HD1 HIS 93 1HD HIS 93 20.096 2.948 34.871 752 HD2 HIS 93 2HD HIS 93 16.025 2.536 34.122 753 HE1 HIS 93 1HE HIS 93 19.013 2.647 37.127 754 HE2 HIS 93 2HE HIS 93 16.539 2.495 36.657 755 H HIS 94 HN HIS 94 19.082 5.773 30.502 756 HA HIS 94 HA HIS 94 18.799 7.908 32.462 757 HB2 HIS 94 2HB HIS 94 21.005 6.578 32.789 758 HB3 HIS 94 1HB HIS 94 21.521 7.353 31.294 759 HD1 HIS 94 1HD HIS 94 22.640 9.568 31.580 760 HD2 HIS 94 2HD HIS 94 20.235 8.588 34.834 761 HE1 HIS 94 1HE HIS 94 23.046 11.364 33.295 762 HE2 HIS 94 2HE HIS 94 21.634 10.721 35.282 Start of MODEL 11 1 H1 MET 1 H1 MET 1 10.035 6.623 12.427 2 H2 MET 1 H2 MET 1 8.571 5.826 12.124 3 H3 MET 1 H3 MET 1 8.564 7.414 12.724 4 HA MET 1 HA MET 1 9.716 6.640 10.115 5 HB2 MET 1 2HB MET 1 6.990 7.802 10.730 6 HB3 MET 1 1HB MET 1 7.685 7.683 9.120 7 HG2 MET 1 2HG MET 1 6.174 5.888 9.362 8 HG3 MET 1 1HG MET 1 7.797 5.203 9.457 9 HE1 MET 1 2HE MET 1 5.187 3.620 10.382 10 HE2 MET 1 3HE MET 1 5.771 2.898 11.881 11 HE3 MET 1 1HE MET 1 6.820 2.962 10.469 12 H VAL 2 HN VAL 2 11.413 8.047 10.132 13 HA VAL 2 HA VAL 2 10.697 10.889 10.214 14 HB VAL 2 HB VAL 2 12.873 11.380 11.378 15 HG11 VAL 2 1HG1 VAL 2 10.859 9.784 12.956 16 HG12 VAL 2 2HG1 VAL 2 10.735 11.495 12.554 17 HG13 VAL 2 3HG1 VAL 2 12.022 10.933 13.618 18 HG21 VAL 2 3HG2 VAL 2 13.984 9.236 10.991 19 HG22 VAL 2 1HG2 VAL 2 12.798 8.430 12.019 20 HG23 VAL 2 2HG2 VAL 2 13.909 9.613 12.712 21 H LYS 3 HN LYS 3 11.536 12.048 8.613 22 HA LYS 3 HA LYS 3 12.704 12.676 6.784 23 HB2 LYS 3 2HB LYS 3 14.817 10.993 8.124 24 HB3 LYS 3 1HB LYS 3 15.125 11.967 6.691 25 HG2 LYS 3 2HG LYS 3 14.805 13.966 7.823 26 HG3 LYS 3 1HG LYS 3 13.931 13.191 9.144 27 HD2 LYS 3 2HD LYS 3 15.979 12.137 9.911 28 HD3 LYS 3 1HD LYS 3 16.868 12.829 8.550 29 HE2 LYS 3 2HE LYS 3 16.583 15.034 9.372 30 HE3 LYS 3 1HE LYS 3 15.394 14.508 10.562 31 HZ1 LYS 3 3HZ LYS 3 17.020 13.532 11.872 32 HZ2 LYS 3 1HZ LYS 3 17.740 14.983 11.367 33 HZ3 LYS 3 2HZ LYS 3 18.176 13.510 10.630 34 H ASP 4 HN ASP 4 11.758 11.973 5.010 35 HA ASP 4 HA ASP 4 11.349 10.786 3.110 36 HB2 ASP 4 2HB ASP 4 13.890 10.359 3.254 37 HB3 ASP 4 1HB ASP 4 13.464 8.786 3.916 38 H LYS 5 HN LYS 5 10.059 10.392 5.599 39 HA LYS 5 HA LYS 5 9.802 7.652 6.275 40 HB2 LYS 5 2HB LYS 5 8.151 8.361 7.871 41 HB3 LYS 5 1HB LYS 5 9.486 9.500 7.888 42 HG2 LYS 5 2HG LYS 5 8.168 11.068 6.540 43 HG3 LYS 5 1HG LYS 5 6.828 9.918 6.528 44 HD2 LYS 5 2HD LYS 5 6.826 10.020 9.030 45 HD3 LYS 5 1HD LYS 5 8.011 11.319 8.922 46 HE2 LYS 5 2HE LYS 5 5.230 11.358 7.760 47 HE3 LYS 5 1HE LYS 5 5.747 12.187 9.225 48 HZ1 LYS 5 3HZ LYS 5 5.721 13.746 7.453 49 HZ2 LYS 5 1HZ LYS 5 6.641 12.734 6.449 50 HZ3 LYS 5 2HZ LYS 5 7.347 13.435 7.822 51 H GLN 6 HN GLN 6 8.152 9.679 3.998 52 HA GLN 6 HA GLN 6 5.689 8.333 3.847 53 HB2 GLN 6 2HB GLN 6 6.874 10.457 2.511 54 HB3 GLN 6 1HB GLN 6 6.690 9.243 1.252 55 HG2 GLN 6 2HG GLN 6 4.508 10.376 2.987 56 HG3 GLN 6 1HG GLN 6 4.778 10.710 1.280 57 HE21 GLN 6 1HE2 GLN 6 4.189 9.179 -0.247 58 HE22 GLN 6 2HE2 GLN 6 3.199 7.817 0.140 59 H LYS 7 HN LYS 7 8.796 7.717 2.332 60 HA LYS 7 HA LYS 7 7.885 5.600 0.658 61 HB2 LYS 7 2HB LYS 7 10.612 6.527 1.538 62 HB3 LYS 7 1HB LYS 7 10.386 5.146 0.470 63 HG2 LYS 7 2HG LYS 7 9.391 6.503 -1.209 64 HG3 LYS 7 1HG LYS 7 9.283 7.880 -0.117 65 HD2 LYS 7 2HD LYS 7 11.099 8.127 -1.744 66 HD3 LYS 7 1HD LYS 7 11.695 8.083 -0.087 67 HE2 LYS 7 2HE LYS 7 11.611 5.603 -1.765 68 HE3 LYS 7 1HE LYS 7 12.942 6.746 -1.912 69 HZ1 LYS 7 3HZ LYS 7 13.150 6.499 0.597 70 HZ2 LYS 7 1HZ LYS 7 13.652 5.185 -0.356 71 HZ3 LYS 7 2HZ LYS 7 12.162 5.130 0.435 72 H ALA 8 HN ALA 8 8.986 5.805 3.948 73 HA ALA 8 HA ALA 8 9.467 2.993 4.275 74 HB1 ALA 8 1HB ALA 8 9.642 3.493 6.650 75 HB2 ALA 8 2HB ALA 8 8.986 5.108 6.376 76 HB3 ALA 8 3HB ALA 8 10.558 4.670 5.706 77 H ILE 9 HN ILE 9 6.764 5.183 4.856 78 HA ILE 9 HA ILE 9 5.070 3.304 6.129 79 HB ILE 9 HB ILE 9 4.356 5.758 4.514 80 HG12 ILE 9 2HG1 ILE 9 4.570 5.370 7.510 81 HG13 ILE 9 1HG1 ILE 9 5.770 6.182 6.510 82 HG21 ILE 9 1HG2 ILE 9 2.475 4.204 4.676 83 HG22 ILE 9 2HG2 ILE 9 2.186 5.669 5.613 84 HG23 ILE 9 3HG2 ILE 9 2.647 4.177 6.431 85 HD11 ILE 9 3HD1 ILE 9 4.132 7.890 5.931 86 HD12 ILE 9 1HD1 ILE 9 4.357 7.775 7.677 87 HD13 ILE 9 2HD1 ILE 9 2.927 7.070 6.923 88 H PHE 10 HN PHE 10 5.253 4.441 2.779 89 HA PHE 10 HA PHE 10 3.242 2.919 1.640 90 HB2 PHE 10 2HB PHE 10 4.345 4.723 0.444 91 HB3 PHE 10 1HB PHE 10 5.867 3.842 0.443 92 HD1 PHE 10 1HD PHE 10 2.438 3.883 -0.925 93 HD2 PHE 10 2HD PHE 10 6.354 2.242 -1.216 94 HE1 PHE 10 1HE PHE 10 1.859 2.896 -3.103 95 HE2 PHE 10 2HE PHE 10 5.781 1.247 -3.392 96 HZ PHE 10 HZ PHE 10 3.530 1.576 -4.339 97 H SER 11 HN SER 11 6.669 2.083 2.018 98 HA SER 11 HA SER 11 6.486 -0.376 0.645 99 HB2 SER 11 2HB SER 11 8.698 -0.828 1.806 100 HB3 SER 11 1HB SER 11 8.620 0.618 0.800 101 HG SER 11 HG SER 11 8.764 1.854 2.525 102 H GLU 12 HN GLU 12 6.508 0.394 4.122 103 HA GLU 12 HA GLU 12 6.441 -2.211 5.099 104 HB2 GLU 12 2HB GLU 12 6.737 -0.100 6.433 105 HB3 GLU 12 1HB GLU 12 5.002 0.152 6.310 106 HG2 GLU 12 2HG GLU 12 5.426 -0.816 8.427 107 HG3 GLU 12 1HG GLU 12 4.682 -2.059 7.424 108 H ASN 13 HN ASN 13 3.771 -0.124 4.071 109 HA ASN 13 HA ASN 13 1.687 -1.908 4.779 110 HB2 ASN 13 2HB ASN 13 1.756 0.262 2.673 111 HB3 ASN 13 1HB ASN 13 0.300 -0.572 3.202 112 HD21 ASN 13 1HD2 ASN 13 0.905 2.227 3.284 113 HD22 ASN 13 2HD2 ASN 13 0.769 2.705 4.939 114 H LEU 14 HN LEU 14 3.235 -1.216 1.653 115 HA LEU 14 HA LEU 14 1.859 -3.116 0.132 116 HB2 LEU 14 2HB LEU 14 3.222 -1.294 -0.806 117 HB3 LEU 14 1HB LEU 14 4.675 -2.086 -0.233 118 HG LEU 14 HG LEU 14 4.183 -4.001 -1.740 119 HD11 LEU 14 1HD1 LEU 14 2.513 -3.725 -3.497 120 HD12 LEU 14 2HD1 LEU 14 1.991 -2.203 -2.772 121 HD13 LEU 14 3HD1 LEU 14 1.765 -3.720 -1.900 122 HD21 LEU 14 3HD2 LEU 14 4.377 -1.294 -3.057 123 HD22 LEU 14 1HD2 LEU 14 4.795 -2.836 -3.808 124 HD23 LEU 14 2HD2 LEU 14 5.719 -2.250 -2.425 125 H ASN 15 HN ASN 15 4.808 -3.366 2.026 126 HA ASN 15 HA ASN 15 5.707 -5.897 1.287 127 HB2 ASN 15 2HB ASN 15 6.652 -4.053 2.946 128 HB3 ASN 15 1HB ASN 15 5.841 -5.042 4.156 129 HD21 ASN 15 1HD2 ASN 15 8.539 -4.709 2.097 130 HD22 ASN 15 2HD2 ASN 15 9.350 -6.180 2.538 131 H SER 16 HN SER 16 3.282 -4.927 3.652 132 HA SER 16 HA SER 16 2.856 -7.473 4.795 133 HB2 SER 16 2HB SER 16 2.185 -5.314 5.842 134 HB3 SER 16 1HB SER 16 0.919 -5.151 4.627 135 HG SER 16 HG SER 16 0.813 -7.569 5.833 136 H TYR 17 HN TYR 17 1.250 -5.749 2.141 137 HA TYR 17 HA TYR 17 -0.747 -7.689 1.656 138 HB2 TYR 17 2HB TYR 17 0.473 -5.535 -0.064 139 HB3 TYR 17 1HB TYR 17 -0.771 -6.618 -0.678 140 HD1 TYR 17 1HD TYR 17 -0.131 -4.289 2.172 141 HD2 TYR 17 2HD TYR 17 -2.993 -5.997 -0.470 142 HE1 TYR 17 1HE TYR 17 -1.861 -2.815 3.107 143 HE2 TYR 17 2HE TYR 17 -4.735 -4.526 0.455 144 HH TYR 17 HH TYR 17 -5.196 -3.235 2.454 145 H ILE 18 HN ILE 18 2.517 -7.255 0.433 146 HA ILE 18 HA ILE 18 2.384 -9.324 -1.515 147 HB ILE 18 HB ILE 18 4.758 -8.003 -0.195 148 HG12 ILE 18 2HG1 ILE 18 3.520 -7.547 -2.918 149 HG13 ILE 18 1HG1 ILE 18 3.256 -6.521 -1.513 150 HG21 ILE 18 1HG2 ILE 18 5.410 -10.164 -1.092 151 HG22 ILE 18 2HG2 ILE 18 6.080 -8.858 -2.071 152 HG23 ILE 18 3HG2 ILE 18 4.676 -9.761 -2.646 153 HD11 ILE 18 3HD1 ILE 18 5.880 -6.993 -2.907 154 HD12 ILE 18 1HD1 ILE 18 5.656 -6.014 -1.457 155 HD13 ILE 18 2HD1 ILE 18 4.895 -5.531 -2.974 156 H ALA 19 HN ALA 19 3.570 -9.168 1.831 157 HA ALA 19 HA ALA 19 4.614 -11.797 1.908 158 HB1 ALA 19 1HB ALA 19 3.639 -10.074 4.183 159 HB2 ALA 19 2HB ALA 19 5.270 -10.071 3.510 160 HB3 ALA 19 3HB ALA 19 4.656 -11.508 4.330 161 H LYS 20 HN LYS 20 1.418 -10.486 2.405 162 HA LYS 20 HA LYS 20 0.259 -12.807 3.590 163 HB2 LYS 20 2HB LYS 20 -0.688 -10.469 3.640 164 HB3 LYS 20 1HB LYS 20 -1.138 -10.681 1.960 165 HG2 LYS 20 2HG LYS 20 -2.435 -12.733 2.722 166 HG3 LYS 20 1HG LYS 20 -2.199 -12.131 4.363 167 HD2 LYS 20 2HD LYS 20 -3.318 -10.061 3.790 168 HD3 LYS 20 1HD LYS 20 -3.493 -10.593 2.116 169 HE2 LYS 20 2HE LYS 20 -4.766 -11.813 4.562 170 HE3 LYS 20 1HE LYS 20 -5.579 -10.940 3.262 171 HZ1 LYS 20 3HZ LYS 20 -4.294 -13.610 3.137 172 HZ2 LYS 20 1HZ LYS 20 -4.746 -12.747 1.746 173 HZ3 LYS 20 2HZ LYS 20 -5.925 -13.224 2.867 174 H SER 21 HN SER 21 0.903 -11.724 0.380 175 HA SER 21 HA SER 21 -0.918 -13.390 -0.999 176 HB2 SER 21 2HB SER 21 0.131 -11.338 -1.957 177 HB3 SER 21 1HB SER 21 1.662 -12.209 -2.042 178 HG SER 21 HG SER 21 -0.729 -12.668 -3.473 179 H GLU 22 HN GLU 22 -0.678 -15.336 -1.961 180 HA GLU 22 HA GLU 22 1.464 -17.061 -1.023 181 HB2 GLU 22 2HB GLU 22 -0.904 -17.677 -2.808 182 HB3 GLU 22 1HB GLU 22 0.173 -18.860 -2.083 183 HG2 GLU 22 2HG GLU 22 -1.632 -16.994 -0.562 184 HG3 GLU 22 1HG GLU 22 -1.967 -18.689 -0.910 185 H LYS 23 HN LYS 23 1.230 -14.903 -3.447 186 HA LYS 23 HA LYS 23 2.271 -16.547 -5.591 187 HB2 LYS 23 2HB LYS 23 1.442 -13.655 -5.406 188 HB3 LYS 23 1HB LYS 23 2.142 -14.365 -6.843 189 HG2 LYS 23 2HG LYS 23 -0.436 -15.178 -5.530 190 HG3 LYS 23 1HG LYS 23 -0.260 -14.298 -7.049 191 HD2 LYS 23 2HD LYS 23 0.889 -16.234 -8.024 192 HD3 LYS 23 1HD LYS 23 0.696 -17.107 -6.504 193 HE2 LYS 23 2HE LYS 23 -1.750 -16.925 -6.740 194 HE3 LYS 23 1HE LYS 23 -1.524 -16.112 -8.288 195 HZ1 LYS 23 3HZ LYS 23 -0.590 -18.866 -7.663 196 HZ2 LYS 23 1HZ LYS 23 -0.478 -18.083 -9.166 197 HZ3 LYS 23 2HZ LYS 23 -1.996 -18.487 -8.532 198 H THR 24 HN THR 24 3.949 -15.107 -6.946 199 HA THR 24 HA THR 24 6.266 -14.801 -5.157 200 HB THR 24 HB THR 24 6.804 -14.848 -8.020 201 HG1 THR 24 1HG THR 24 4.908 -16.266 -7.864 202 HG21 THR 24 3HG2 THR 24 7.698 -16.565 -5.707 203 HG22 THR 24 1HG2 THR 24 8.530 -15.142 -6.333 204 HG23 THR 24 2HG2 THR 24 8.397 -16.595 -7.326 205 H GLN 25 HN GLN 25 7.701 -13.052 -5.442 206 HA GLN 25 HA GLN 25 6.471 -10.561 -6.035 207 HB2 GLN 25 2HB GLN 25 9.406 -11.215 -5.695 208 HB3 GLN 25 1HB GLN 25 8.717 -9.599 -5.698 209 HG2 GLN 25 2HG GLN 25 7.451 -10.124 -3.682 210 HG3 GLN 25 1HG GLN 25 8.110 -11.758 -3.690 211 HE21 GLN 25 1HE2 GLN 25 8.765 -8.406 -3.100 212 HE22 GLN 25 2HE2 GLN 25 10.277 -8.637 -2.289 213 H LEU 26 HN LEU 26 8.813 -12.597 -7.692 214 HA LEU 26 HA LEU 26 9.291 -11.103 -9.981 215 HB2 LEU 26 2HB LEU 26 10.051 -13.520 -9.075 216 HB3 LEU 26 1HB LEU 26 8.868 -14.026 -10.263 217 HG LEU 26 HG LEU 26 11.266 -12.301 -10.835 218 HD11 LEU 26 1HD1 LEU 26 11.924 -14.562 -10.247 219 HD12 LEU 26 2HD1 LEU 26 12.139 -14.293 -11.978 220 HD13 LEU 26 3HD1 LEU 26 10.757 -15.221 -11.395 221 HD21 LEU 26 3HD2 LEU 26 9.416 -11.861 -12.366 222 HD22 LEU 26 1HD2 LEU 26 9.270 -13.587 -12.701 223 HD23 LEU 26 2HD2 LEU 26 10.721 -12.712 -13.191 224 H GLU 27 HN GLU 27 6.754 -13.417 -9.271 225 HA GLU 27 HA GLU 27 5.417 -13.443 -11.691 226 HB2 GLU 27 2HB GLU 27 5.221 -15.117 -9.952 227 HB3 GLU 27 1HB GLU 27 4.541 -13.935 -8.849 228 HG2 GLU 27 2HG GLU 27 2.562 -13.780 -10.146 229 HG3 GLU 27 1HG GLU 27 3.253 -14.812 -11.396 230 H ILE 28 HN ILE 28 4.888 -11.478 -8.767 231 HA ILE 28 HA ILE 28 2.647 -10.059 -9.723 232 HB ILE 28 HB ILE 28 4.723 -9.185 -7.702 233 HG12 ILE 28 2HG1 ILE 28 1.991 -10.428 -7.314 234 HG13 ILE 28 1HG1 ILE 28 3.521 -11.278 -7.128 235 HG21 ILE 28 1HG2 ILE 28 1.964 -8.093 -8.257 236 HG22 ILE 28 2HG2 ILE 28 3.492 -7.279 -8.587 237 HG23 ILE 28 3HG2 ILE 28 3.009 -7.608 -6.924 238 HD11 ILE 28 3HD1 ILE 28 4.114 -9.765 -5.296 239 HD12 ILE 28 1HD1 ILE 28 2.628 -10.654 -4.977 240 HD13 ILE 28 2HD1 ILE 28 2.554 -8.963 -5.468 241 H ALA 29 HN ALA 29 6.095 -9.166 -9.636 242 HA ALA 29 HA ALA 29 5.833 -6.650 -10.835 243 HB1 ALA 29 1HB ALA 29 7.819 -7.347 -9.600 244 HB2 ALA 29 2HB ALA 29 8.239 -6.770 -11.214 245 HB3 ALA 29 3HB ALA 29 8.213 -8.501 -10.874 246 H LYS 30 HN LYS 30 6.450 -9.823 -12.250 247 HA LYS 30 HA LYS 30 6.983 -8.999 -14.876 248 HB2 LYS 30 2HB LYS 30 7.164 -11.340 -13.658 249 HB3 LYS 30 1HB LYS 30 5.557 -11.576 -14.328 250 HG2 LYS 30 2HG LYS 30 7.953 -10.836 -15.986 251 HG3 LYS 30 1HG LYS 30 7.447 -12.499 -15.688 252 HD2 LYS 30 2HD LYS 30 5.293 -12.041 -16.727 253 HD3 LYS 30 1HD LYS 30 5.765 -10.361 -16.990 254 HE2 LYS 30 2HE LYS 30 7.579 -11.088 -18.443 255 HE3 LYS 30 1HE LYS 30 7.144 -12.773 -18.160 256 HZ1 LYS 30 3HZ LYS 30 6.258 -11.982 -20.254 257 HZ2 LYS 30 1HZ LYS 30 5.421 -10.736 -19.464 258 HZ3 LYS 30 2HZ LYS 30 4.996 -12.350 -19.183 259 H SER 31 HN SER 31 3.960 -9.746 -13.218 260 HA SER 31 HA SER 31 2.325 -9.499 -15.540 261 HB2 SER 31 2HB SER 31 1.562 -9.313 -12.616 262 HB3 SER 31 1HB SER 31 0.451 -9.554 -13.965 263 HG SER 31 HG SER 31 2.382 -11.325 -12.902 264 H ILE 32 HN ILE 32 3.569 -7.276 -13.163 265 HA ILE 32 HA ILE 32 1.859 -5.078 -13.758 266 HB ILE 32 HB ILE 32 4.641 -5.120 -12.571 267 HG12 ILE 32 2HG1 ILE 32 2.970 -6.325 -11.229 268 HG13 ILE 32 1HG1 ILE 32 3.510 -4.861 -10.415 269 HG21 ILE 32 1HG2 ILE 32 4.144 -2.858 -11.752 270 HG22 ILE 32 2HG2 ILE 32 2.629 -2.873 -12.652 271 HG23 ILE 32 3HG2 ILE 32 4.166 -2.935 -13.513 272 HD11 ILE 32 3HD1 ILE 32 1.126 -5.173 -10.174 273 HD12 ILE 32 1HD1 ILE 32 0.933 -5.204 -11.926 274 HD13 ILE 32 2HD1 ILE 32 1.471 -3.728 -11.122 275 H GLY 33 HN GLY 33 5.056 -6.093 -14.874 276 HA2 GLY 33 2HA GLY 33 5.554 -5.705 -17.261 277 HA3 GLY 33 1HA GLY 33 4.839 -4.111 -17.058 278 H VAL 34 HN VAL 34 6.719 -5.322 -14.467 279 HA VAL 34 HA VAL 34 9.047 -3.753 -15.345 280 HB VAL 34 HB VAL 34 9.416 -3.066 -12.989 281 HG11 VAL 34 1HG1 VAL 34 8.336 -1.544 -14.566 282 HG12 VAL 34 2HG1 VAL 34 7.706 -1.324 -12.934 283 HG13 VAL 34 3HG1 VAL 34 6.758 -2.207 -14.134 284 HG21 VAL 34 3HG2 VAL 34 8.147 -4.859 -11.905 285 HG22 VAL 34 1HG2 VAL 34 6.645 -4.169 -12.524 286 HG23 VAL 34 2HG2 VAL 34 7.618 -3.268 -11.359 287 H SER 35 HN SER 35 10.999 -4.322 -13.944 288 HA SER 35 HA SER 35 11.286 -7.189 -13.983 289 HB2 SER 35 2HB SER 35 13.351 -5.198 -13.043 290 HB3 SER 35 1HB SER 35 13.608 -6.779 -13.782 291 HG SER 35 HG SER 35 13.525 -4.447 -14.987 292 HA PRO 36 HA PRO 36 10.570 -7.944 -9.635 293 HB2 PRO 36 2HB PRO 36 12.479 -9.939 -9.328 294 HB3 PRO 36 1HB PRO 36 10.815 -10.188 -9.856 295 HG2 PRO 36 2HG PRO 36 13.310 -10.006 -11.471 296 HG3 PRO 36 1HG PRO 36 11.875 -11.015 -11.727 297 HD2 PRO 36 2HD PRO 36 12.351 -8.802 -13.191 298 HD3 PRO 36 1HD PRO 36 10.706 -9.306 -12.754 299 H GLN 37 HN GLN 37 13.793 -7.453 -10.941 300 HA GLN 37 HA GLN 37 15.204 -6.962 -8.578 301 HB2 GLN 37 2HB GLN 37 15.541 -5.781 -11.340 302 HB3 GLN 37 1HB GLN 37 16.664 -5.485 -10.026 303 HG2 GLN 37 2HG GLN 37 17.637 -7.156 -11.346 304 HG3 GLN 37 1HG GLN 37 17.020 -7.976 -9.918 305 HE21 GLN 37 1HE2 GLN 37 15.422 -9.495 -10.144 306 HE22 GLN 37 2HE2 GLN 37 14.847 -10.052 -11.681 307 H THR 38 HN THR 38 13.159 -4.883 -10.548 308 HA THR 38 HA THR 38 13.714 -2.500 -9.039 309 HB THR 38 HB THR 38 11.325 -2.834 -10.828 310 HG1 THR 38 1HG THR 38 14.016 -2.443 -11.728 311 HG21 THR 38 3HG2 THR 38 11.889 -0.520 -11.444 312 HG22 THR 38 1HG2 THR 38 13.289 -0.579 -10.374 313 HG23 THR 38 2HG2 THR 38 11.661 -0.687 -9.702 314 H PHE 39 HN PHE 39 11.203 -4.940 -9.208 315 HA PHE 39 HA PHE 39 9.289 -3.735 -7.554 316 HB2 PHE 39 2HB PHE 39 8.961 -5.730 -9.038 317 HB3 PHE 39 1HB PHE 39 9.840 -6.690 -7.855 318 HD1 PHE 39 1HD PHE 39 6.835 -4.546 -8.257 319 HD2 PHE 39 2HD PHE 39 8.729 -7.660 -6.058 320 HE1 PHE 39 1HE PHE 39 4.741 -4.952 -7.035 321 HE2 PHE 39 2HE PHE 39 6.637 -8.069 -4.830 322 HZ PHE 39 HZ PHE 39 4.640 -6.717 -5.318 323 H ASN 40 HN ASN 40 12.098 -5.727 -6.835 324 HA ASN 40 HA ASN 40 11.601 -6.231 -4.124 325 HB2 ASN 40 2HB ASN 40 13.345 -7.385 -5.445 326 HB3 ASN 40 1HB ASN 40 14.277 -5.892 -5.501 327 HD21 ASN 40 1HD2 ASN 40 16.028 -6.776 -4.463 328 HD22 ASN 40 2HD2 ASN 40 16.015 -7.178 -2.779 329 H THR 41 HN THR 41 13.243 -3.513 -5.713 330 HA THR 41 HA THR 41 14.102 -2.313 -3.286 331 HB THR 41 HB THR 41 14.492 -0.269 -4.681 332 HG1 THR 41 1HG THR 41 12.836 -1.552 -6.378 333 HG21 THR 41 3HG2 THR 41 16.236 -1.936 -4.405 334 HG22 THR 41 1HG2 THR 41 16.275 -1.287 -6.043 335 HG23 THR 41 2HG2 THR 41 15.577 -2.876 -5.741 336 H TRP 42 HN TRP 42 11.111 -2.201 -5.070 337 HA TRP 42 HA TRP 42 10.053 0.097 -3.731 338 HB2 TRP 42 2HB TRP 42 8.629 -2.198 -5.106 339 HB3 TRP 42 1HB TRP 42 7.854 -0.721 -4.547 340 HD1 TRP 42 1HD TRP 42 10.530 1.007 -5.745 341 HE1 TRP 42 1HE TRP 42 10.426 1.571 -8.260 342 HE3 TRP 42 3HE TRP 42 7.064 -2.455 -7.188 343 HZ2 TRP 42 2HZ TRP 42 9.031 0.650 -10.552 344 HZ3 TRP 42 3HZ TRP 42 6.393 -2.551 -9.551 345 HH2 TRP 42 2HH TRP 42 7.363 -1.031 -11.198 346 H CYS 43 HN CYS 43 9.941 -3.379 -3.266 347 HA CYS 43 HA CYS 43 8.109 -3.377 -1.113 348 HB2 CYS 43 2HB CYS 43 8.682 -5.316 -2.628 349 HB3 CYS 43 1HB CYS 43 10.190 -5.475 -1.736 350 HG CYS 43 HG CYS 43 8.858 -5.987 0.724 351 H LYS 44 HN LYS 44 11.579 -2.998 -1.289 352 HA LYS 44 HA LYS 44 11.864 -3.221 1.581 353 HB2 LYS 44 2HB LYS 44 13.730 -2.884 -0.719 354 HB3 LYS 44 1HB LYS 44 14.271 -2.439 0.887 355 HG2 LYS 44 2HG LYS 44 13.513 -4.773 1.597 356 HG3 LYS 44 1HG LYS 44 13.450 -5.128 -0.130 357 HD2 LYS 44 2HD LYS 44 15.798 -4.532 -0.359 358 HD3 LYS 44 1HD LYS 44 15.873 -4.112 1.354 359 HE2 LYS 44 2HE LYS 44 15.240 -6.471 1.880 360 HE3 LYS 44 1HE LYS 44 15.379 -6.837 0.162 361 HZ1 LYS 44 3HZ LYS 44 17.552 -5.889 1.955 362 HZ2 LYS 44 1HZ LYS 44 17.711 -6.089 0.276 363 HZ3 LYS 44 2HZ LYS 44 17.403 -7.431 1.264 364 H GLY 45 HN GLY 45 10.711 -0.877 -0.371 365 HA2 GLY 45 2HA GLY 45 10.200 1.324 0.097 366 HA3 GLY 45 1HA GLY 45 11.004 1.135 1.643 367 H ILE 46 HN ILE 46 12.934 0.286 -1.005 368 HA ILE 46 HA ILE 46 14.808 2.351 -0.484 369 HB ILE 46 HB ILE 46 14.639 0.488 -2.870 370 HG12 ILE 46 2HG1 ILE 46 16.225 0.255 -0.304 371 HG13 ILE 46 1HG1 ILE 46 14.782 -0.674 -0.691 372 HG21 ILE 46 1HG2 ILE 46 17.031 0.965 -3.150 373 HG22 ILE 46 2HG2 ILE 46 16.946 2.136 -1.832 374 HG23 ILE 46 3HG2 ILE 46 16.048 2.422 -3.324 375 HD11 ILE 46 3HD1 ILE 46 17.429 -0.783 -2.115 376 HD12 ILE 46 1HD1 ILE 46 15.980 -1.657 -2.612 377 HD13 ILE 46 2HD1 ILE 46 16.740 -2.015 -1.060 378 H ALA 47 HN ALA 47 12.456 1.789 -3.077 379 HA ALA 47 HA ALA 47 12.526 4.640 -3.707 380 HB1 ALA 47 1HB ALA 47 12.713 4.222 -6.106 381 HB2 ALA 47 2HB ALA 47 12.889 2.494 -5.800 382 HB3 ALA 47 3HB ALA 47 14.130 3.619 -5.245 383 H ILE 48 HN ILE 48 10.703 5.329 -5.003 384 HA ILE 48 HA ILE 48 8.417 3.471 -4.886 385 HB ILE 48 HB ILE 48 8.484 6.455 -4.422 386 HG12 ILE 48 2HG1 ILE 48 7.410 4.125 -2.819 387 HG13 ILE 48 1HG1 ILE 48 8.850 5.070 -2.456 388 HG21 ILE 48 1HG2 ILE 48 6.667 6.004 -5.984 389 HG22 ILE 48 2HG2 ILE 48 6.044 6.452 -4.395 390 HG23 ILE 48 3HG2 ILE 48 6.037 4.762 -4.903 391 HD11 ILE 48 3HD1 ILE 48 6.014 6.080 -2.434 392 HD12 ILE 48 1HD1 ILE 48 7.451 7.043 -2.092 393 HD13 ILE 48 2HD1 ILE 48 7.007 5.715 -1.021 394 HA PRO 49 HA PRO 49 8.409 3.940 -9.301 395 HB2 PRO 49 2HB PRO 49 6.025 2.788 -9.814 396 HB3 PRO 49 1HB PRO 49 7.431 1.852 -9.300 397 HG2 PRO 49 2HG PRO 49 5.128 2.845 -7.657 398 HG3 PRO 49 1HG PRO 49 5.873 1.235 -7.669 399 HD2 PRO 49 2HD PRO 49 6.473 3.075 -5.786 400 HD3 PRO 49 1HD PRO 49 7.672 1.912 -6.392 401 H ARG 50 HN ARG 50 7.008 4.855 -11.031 402 HA ARG 50 HA ARG 50 5.745 7.292 -10.092 403 HB2 ARG 50 2HB ARG 50 6.444 6.283 -12.848 404 HB3 ARG 50 1HB ARG 50 5.606 7.803 -12.564 405 HG2 ARG 50 2HG ARG 50 7.506 8.571 -11.203 406 HG3 ARG 50 1HG ARG 50 8.350 7.067 -11.562 407 HD2 ARG 50 2HD ARG 50 8.440 7.611 -13.899 408 HD3 ARG 50 1HD ARG 50 7.404 9.017 -13.659 409 HE ARG 50 HE ARG 50 9.867 9.045 -12.137 410 HH11 ARG 50 1HH1 ARG 50 8.319 9.965 -15.152 411 HH12 ARG 50 2HH1 ARG 50 9.422 11.269 -15.469 412 HH21 ARG 50 1HH2 ARG 50 11.284 10.739 -12.515 413 HH22 ARG 50 2HH2 ARG 50 11.143 11.707 -13.955 414 H MET 51 HN MET 51 3.763 7.939 -11.641 415 HA MET 51 HA MET 51 1.610 6.728 -10.434 416 HB2 MET 51 2HB MET 51 1.538 8.947 -11.483 417 HB3 MET 51 1HB MET 51 1.603 8.196 -13.070 418 HG2 MET 51 2HG MET 51 -0.633 8.588 -12.886 419 HG3 MET 51 1HG MET 51 -0.542 6.952 -12.241 420 HE1 MET 51 3HE MET 51 0.513 7.361 -9.193 421 HE2 MET 51 1HE MET 51 -0.788 6.316 -9.757 422 HE3 MET 51 2HE MET 51 -1.071 7.447 -8.431 423 H GLY 52 HN GLY 52 2.807 6.123 -13.720 424 HA2 GLY 52 2HA GLY 52 0.762 4.412 -14.557 425 HA3 GLY 52 1HA GLY 52 2.398 4.421 -15.197 426 H LYS 53 HN LYS 53 3.518 3.759 -12.526 427 HA LYS 53 HA LYS 53 3.126 0.883 -12.726 428 HB2 LYS 53 2HB LYS 53 5.107 2.547 -11.163 429 HB3 LYS 53 1HB LYS 53 5.023 0.798 -11.071 430 HG2 LYS 53 2HG LYS 53 6.778 1.291 -12.553 431 HG3 LYS 53 1HG LYS 53 5.430 0.769 -13.564 432 HD2 LYS 53 2HD LYS 53 4.908 3.057 -14.122 433 HD3 LYS 53 1HD LYS 53 6.140 3.644 -13.003 434 HE2 LYS 53 2HE LYS 53 6.992 3.748 -15.251 435 HE3 LYS 53 1HE LYS 53 7.862 2.512 -14.350 436 HZ1 LYS 53 3HZ LYS 53 5.664 2.020 -16.289 437 HZ2 LYS 53 1HZ LYS 53 6.491 0.825 -15.420 438 HZ3 LYS 53 2HZ LYS 53 7.315 1.758 -16.566 439 H VAL 54 HN VAL 54 2.699 3.530 -10.429 440 HA VAL 54 HA VAL 54 1.918 2.003 -8.199 441 HB VAL 54 HB VAL 54 1.044 4.802 -8.955 442 HG11 VAL 54 1HG1 VAL 54 0.548 5.099 -6.583 443 HG12 VAL 54 2HG1 VAL 54 0.958 3.413 -6.279 444 HG13 VAL 54 3HG1 VAL 54 -0.436 3.813 -7.281 445 HG21 VAL 54 3HG2 VAL 54 2.827 5.546 -7.474 446 HG22 VAL 54 1HG2 VAL 54 3.473 4.555 -8.781 447 HG23 VAL 54 2HG2 VAL 54 3.286 3.872 -7.166 448 H GLN 55 HN GLN 55 0.037 3.373 -10.871 449 HA GLN 55 HA GLN 55 -2.499 2.588 -9.903 450 HB2 GLN 55 2HB GLN 55 -1.499 3.205 -12.678 451 HB3 GLN 55 1HB GLN 55 -3.180 2.812 -12.339 452 HG2 GLN 55 2HG GLN 55 -1.666 5.102 -11.100 453 HG3 GLN 55 1HG GLN 55 -2.747 5.233 -12.488 454 HE21 GLN 55 1HE2 GLN 55 -2.547 4.667 -9.055 455 HE22 GLN 55 2HE2 GLN 55 -4.227 4.908 -8.712 456 H ALA 56 HN ALA 56 -0.056 0.930 -11.791 457 HA ALA 56 HA ALA 56 -1.658 -1.305 -12.495 458 HB1 ALA 56 1HB ALA 56 0.425 -0.750 -13.665 459 HB2 ALA 56 2HB ALA 56 0.438 -2.403 -13.052 460 HB3 ALA 56 3HB ALA 56 1.341 -1.143 -12.210 461 H LEU 57 HN LEU 57 0.558 -0.621 -9.814 462 HA LEU 57 HA LEU 57 0.368 -3.110 -8.521 463 HB2 LEU 57 2HB LEU 57 0.885 -0.361 -7.387 464 HB3 LEU 57 1HB LEU 57 1.113 -1.858 -6.508 465 HG LEU 57 HG LEU 57 2.630 -1.053 -8.992 466 HD11 LEU 57 1HD1 LEU 57 4.535 -0.818 -7.471 467 HD12 LEU 57 2HD1 LEU 57 3.466 -1.112 -6.099 468 HD13 LEU 57 3HD1 LEU 57 3.243 0.324 -7.102 469 HD21 LEU 57 3HD2 LEU 57 2.352 -3.471 -8.785 470 HD22 LEU 57 1HD2 LEU 57 2.993 -3.406 -7.142 471 HD23 LEU 57 2HD2 LEU 57 4.027 -2.991 -8.510 472 H ALA 58 HN ALA 58 -1.421 -0.077 -8.027 473 HA ALA 58 HA ALA 58 -3.073 -1.007 -5.949 474 HB1 ALA 58 1HB ALA 58 -2.741 1.369 -6.462 475 HB2 ALA 58 2HB ALA 58 -4.453 0.941 -6.394 476 HB3 ALA 58 3HB ALA 58 -3.660 1.166 -7.955 477 H ASP 59 HN ASP 59 -3.322 -1.289 -9.427 478 HA ASP 59 HA ASP 59 -6.057 -2.187 -9.375 479 HB2 ASP 59 2HB ASP 59 -5.050 -1.033 -11.341 480 HB3 ASP 59 1HB ASP 59 -4.023 -2.442 -11.596 481 H TYR 60 HN TYR 60 -2.868 -3.626 -9.476 482 HA TYR 60 HA TYR 60 -3.532 -6.262 -10.100 483 HB2 TYR 60 2HB TYR 60 -1.217 -5.282 -9.972 484 HB3 TYR 60 1HB TYR 60 -1.327 -5.387 -8.220 485 HD1 TYR 60 2HD TYR 60 -0.948 -7.276 -11.330 486 HD2 TYR 60 1HD TYR 60 -1.200 -7.549 -7.090 487 HE1 TYR 60 2HE TYR 60 -0.089 -9.577 -11.431 488 HE2 TYR 60 1HE TYR 60 -0.336 -9.850 -7.182 489 HH TYR 60 HH TYR 60 1.117 -11.160 -9.910 490 H PHE 61 HN PHE 61 -3.470 -4.605 -6.970 491 HA PHE 61 HA PHE 61 -4.449 -7.010 -5.627 492 HB2 PHE 61 2HB PHE 61 -3.622 -4.298 -4.578 493 HB3 PHE 61 1HB PHE 61 -4.242 -5.592 -3.565 494 HD1 PHE 61 2HD PHE 61 -2.919 -7.670 -3.272 495 HD2 PHE 61 1HD PHE 61 -1.369 -4.290 -5.345 496 HE1 PHE 61 2HE PHE 61 -0.639 -8.565 -3.018 497 HE2 PHE 61 1HE PHE 61 0.912 -5.176 -5.088 498 HZ PHE 61 HZ PHE 61 1.281 -7.313 -3.922 499 H ASN 62 HN ASN 62 -5.742 -4.491 -7.299 500 HA ASN 62 HA ASN 62 -7.690 -3.350 -7.404 501 HB2 ASN 62 2HB ASN 62 -8.567 -5.688 -7.630 502 HB3 ASN 62 1HB ASN 62 -8.877 -5.689 -5.896 503 HD21 ASN 62 1HD2 ASN 62 -11.094 -5.914 -6.146 504 HD22 ASN 62 2HD2 ASN 62 -12.097 -4.636 -6.737 505 H ILE 63 HN ILE 63 -6.500 -1.951 -5.852 506 HA ILE 63 HA ILE 63 -8.217 -1.443 -3.530 507 HB ILE 63 HB ILE 63 -6.194 -0.806 -2.195 508 HG12 ILE 63 2HG1 ILE 63 -4.717 -2.299 -4.373 509 HG13 ILE 63 1HG1 ILE 63 -4.631 -0.564 -4.086 510 HG21 ILE 63 1HG2 ILE 63 -6.407 -3.691 -3.031 511 HG22 ILE 63 2HG2 ILE 63 -7.325 -2.890 -1.755 512 HG23 ILE 63 3HG2 ILE 63 -5.583 -3.112 -1.583 513 HD11 ILE 63 3HD1 ILE 63 -3.613 -0.958 -1.918 514 HD12 ILE 63 1HD1 ILE 63 -2.689 -1.734 -3.202 515 HD13 ILE 63 2HD1 ILE 63 -3.736 -2.700 -2.164 516 H ASN 64 HN ASN 64 -7.156 0.814 -2.555 517 HA ASN 64 HA ASN 64 -7.211 2.628 -4.875 518 HB2 ASN 64 2HB ASN 64 -7.856 3.201 -1.970 519 HB3 ASN 64 1HB ASN 64 -7.983 4.347 -3.295 520 HD21 ASN 64 1HD2 ASN 64 -9.405 1.651 -1.694 521 HD22 ASN 64 2HD2 ASN 64 -10.907 1.645 -2.564 522 H LYS 65 HN LYS 65 -6.066 4.834 -4.186 523 HA LYS 65 HA LYS 65 -3.319 4.247 -3.827 524 HB2 LYS 65 2HB LYS 65 -3.001 6.699 -3.727 525 HB3 LYS 65 1HB LYS 65 -3.974 6.201 -5.104 526 HG2 LYS 65 2HG LYS 65 -5.876 7.163 -4.293 527 HG3 LYS 65 1HG LYS 65 -5.377 6.993 -2.608 528 HD2 LYS 65 2HD LYS 65 -4.179 8.934 -4.587 529 HD3 LYS 65 1HD LYS 65 -5.391 9.345 -3.368 530 HE2 LYS 65 2HE LYS 65 -3.808 8.573 -1.616 531 HE3 LYS 65 1HE LYS 65 -2.597 8.319 -2.872 532 HZ1 LYS 65 3HZ LYS 65 -3.871 10.926 -2.233 533 HZ2 LYS 65 1HZ LYS 65 -2.651 10.665 -3.383 534 HZ3 LYS 65 2HZ LYS 65 -2.328 10.448 -1.732 535 H SER 66 HN SER 66 -5.866 5.292 -1.665 536 HA SER 66 HA SER 66 -4.312 6.246 0.447 537 HB2 SER 66 2HB SER 66 -7.023 4.914 0.623 538 HB3 SER 66 1HB SER 66 -6.327 6.047 1.783 539 HG SER 66 HG SER 66 -7.434 7.422 0.593 540 H ASP 67 HN ASP 67 -5.369 2.981 -0.346 541 HA ASP 67 HA ASP 67 -4.905 1.723 2.091 542 HB2 ASP 67 2HB ASP 67 -4.575 0.574 -0.690 543 HB3 ASP 67 1HB ASP 67 -4.751 -0.362 0.792 544 H LEU 68 HN LEU 68 -2.652 2.589 -0.451 545 HA LEU 68 HA LEU 68 -0.496 1.154 0.885 546 HB2 LEU 68 2HB LEU 68 -0.566 2.659 -1.726 547 HB3 LEU 68 1HB LEU 68 0.844 1.834 -1.094 548 HG LEU 68 HG LEU 68 -1.759 0.509 -1.857 549 HD11 LEU 68 1HD1 LEU 68 -0.514 1.321 -3.792 550 HD12 LEU 68 2HD1 LEU 68 -0.487 -0.439 -3.708 551 HD13 LEU 68 3HD1 LEU 68 0.933 0.489 -3.221 552 HD21 LEU 68 3HD2 LEU 68 -0.627 -0.638 -0.023 553 HD22 LEU 68 1HD2 LEU 68 0.867 -0.679 -0.959 554 HD23 LEU 68 2HD2 LEU 68 -0.547 -1.582 -1.508 555 H ILE 69 HN ILE 69 -1.667 4.402 0.466 556 HA ILE 69 HA ILE 69 0.907 5.596 1.087 557 HB ILE 69 HB ILE 69 -1.756 6.892 0.507 558 HG12 ILE 69 2HG1 ILE 69 -0.777 5.680 -1.402 559 HG13 ILE 69 1HG1 ILE 69 -0.774 7.418 -1.671 560 HG21 ILE 69 1HG2 ILE 69 -0.497 8.978 0.276 561 HG22 ILE 69 2HG2 ILE 69 0.974 8.145 0.782 562 HG23 ILE 69 3HG2 ILE 69 -0.370 8.325 1.911 563 HD11 ILE 69 3HD1 ILE 69 1.586 5.755 -0.821 564 HD12 ILE 69 1HD1 ILE 69 1.600 7.495 -1.087 565 HD13 ILE 69 2HD1 ILE 69 1.295 6.400 -2.435 566 H GLU 70 HN GLU 70 -2.234 5.162 2.657 567 HA GLU 70 HA GLU 70 -1.606 6.888 4.849 568 HB2 GLU 70 2HB GLU 70 -3.749 4.773 4.650 569 HB3 GLU 70 1HB GLU 70 -3.693 6.112 5.773 570 HG2 GLU 70 2HG GLU 70 -3.991 6.342 2.795 571 HG3 GLU 70 1HG GLU 70 -5.286 6.506 3.977 572 H ASP 71 HN ASP 71 -1.141 6.231 7.002 573 HA ASP 71 HA ASP 71 0.569 3.916 7.082 574 HB2 ASP 71 2HB ASP 71 1.178 6.067 8.189 575 HB3 ASP 71 1HB ASP 71 -0.130 5.808 9.337 576 H LYS 72 HN LYS 72 0.465 2.531 9.118 577 HA LYS 72 HA LYS 72 -2.026 1.111 8.884 578 HB2 LYS 72 2HB LYS 72 -0.853 -0.606 10.230 579 HB3 LYS 72 1HB LYS 72 0.033 -0.118 8.791 580 HG2 LYS 72 2HG LYS 72 1.229 1.527 10.418 581 HG3 LYS 72 1HG LYS 72 0.640 0.414 11.658 582 HD2 LYS 72 2HD LYS 72 2.839 -0.285 11.014 583 HD3 LYS 72 1HD LYS 72 1.681 -1.451 10.373 584 HE2 LYS 72 2HE LYS 72 3.266 -0.997 8.651 585 HE3 LYS 72 1HE LYS 72 1.754 -0.208 8.204 586 HZ1 LYS 72 3HZ LYS 72 2.641 1.900 9.001 587 HZ2 LYS 72 1HZ LYS 72 3.671 1.226 7.832 588 HZ3 LYS 72 2HZ LYS 72 4.083 1.135 9.473 589 H LYS 73 HN LYS 73 -1.974 3.679 10.394 590 HA LYS 73 HA LYS 73 -2.760 2.892 13.070 591 HB2 LYS 73 2HB LYS 73 -2.817 5.504 11.552 592 HB3 LYS 73 1HB LYS 73 -3.491 5.328 13.162 593 HG2 LYS 73 2HG LYS 73 -0.624 4.771 12.448 594 HG3 LYS 73 1HG LYS 73 -1.216 6.287 13.131 595 HD2 LYS 73 2HD LYS 73 -2.039 5.048 15.099 596 HD3 LYS 73 1HD LYS 73 -1.375 3.562 14.421 597 HE2 LYS 73 2HE LYS 73 0.100 4.559 16.118 598 HE3 LYS 73 1HE LYS 73 0.866 4.473 14.533 599 HZ1 LYS 73 3HZ LYS 73 1.132 6.614 15.819 600 HZ2 LYS 73 1HZ LYS 73 -0.501 6.922 15.490 601 HZ3 LYS 73 2HZ LYS 73 0.612 6.764 14.213 602 H LEU 74 HN LEU 74 -4.109 1.431 11.284 603 HA LEU 74 HA LEU 74 -6.493 2.666 10.329 604 HB2 LEU 74 2HB LEU 74 -5.609 -0.216 10.376 605 HB3 LEU 74 1HB LEU 74 -7.016 0.388 9.536 606 HG LEU 74 HG LEU 74 -4.168 1.169 8.924 607 HD11 LEU 74 1HD1 LEU 74 -4.640 -1.153 8.338 608 HD12 LEU 74 2HD1 LEU 74 -4.448 -0.154 6.896 609 HD13 LEU 74 3HD1 LEU 74 -6.059 -0.639 7.426 610 HD21 LEU 74 3HD2 LEU 74 -5.747 2.949 8.417 611 HD22 LEU 74 1HD2 LEU 74 -6.752 1.819 7.511 612 HD23 LEU 74 2HD2 LEU 74 -5.135 2.218 6.933 613 H ASN 75 HN ASN 75 -7.164 3.358 12.516 614 HA ASN 75 HA ASN 75 -8.555 1.283 14.033 615 HB2 ASN 75 2HB ASN 75 -7.308 3.316 15.064 616 HB3 ASN 75 1HB ASN 75 -8.708 4.254 14.557 617 HD21 ASN 75 1HD2 ASN 75 -7.677 3.663 17.235 618 HD22 ASN 75 2HD2 ASN 75 -8.984 2.911 18.090 619 H ILE 76 HN ILE 76 -9.225 1.737 11.335 620 HA ILE 76 HA ILE 76 -11.631 3.322 11.169 621 HB ILE 76 HB ILE 76 -10.573 1.379 9.103 622 HG12 ILE 76 2HG1 ILE 76 -8.749 2.887 9.744 623 HG13 ILE 76 1HG1 ILE 76 -9.321 3.255 8.121 624 HG21 ILE 76 1HG2 ILE 76 -12.267 3.858 8.880 625 HG22 ILE 76 2HG2 ILE 76 -12.793 2.194 8.640 626 HG23 ILE 76 3HG2 ILE 76 -11.651 2.927 7.515 627 HD11 ILE 76 3HD1 ILE 76 -10.020 4.779 10.620 628 HD12 ILE 76 1HD1 ILE 76 -10.578 5.154 8.989 629 HD13 ILE 76 2HD1 ILE 76 -8.864 5.275 9.385 630 H ASP 77 HN ASP 77 -13.645 2.251 10.243 631 HA ASP 77 HA ASP 77 -14.457 0.134 11.966 632 HB2 ASP 77 2HB ASP 77 -16.612 0.278 10.733 633 HB3 ASP 77 1HB ASP 77 -16.055 1.835 11.340 634 H THR 78 HN THR 78 -12.487 -0.148 9.560 635 HA THR 78 HA THR 78 -13.603 -2.389 8.130 636 HB THR 78 HB THR 78 -10.686 -1.896 8.005 637 HG1 THR 78 1HG THR 78 -12.077 -0.005 6.551 638 HG21 THR 78 3HG2 THR 78 -12.846 -2.032 5.892 639 HG22 THR 78 1HG2 THR 78 -11.861 -3.390 6.436 640 HG23 THR 78 2HG2 THR 78 -11.106 -2.034 5.600 641 H VAL 79 HN VAL 79 -11.402 -4.099 8.004 642 HA VAL 79 HA VAL 79 -11.253 -5.111 10.750 643 HB VAL 79 HB VAL 79 -12.325 -6.706 9.337 644 HG11 VAL 79 1HG1 VAL 79 -11.300 -7.650 7.330 645 HG12 VAL 79 2HG1 VAL 79 -9.950 -6.529 7.490 646 HG13 VAL 79 3HG1 VAL 79 -11.571 -5.918 7.166 647 HG21 VAL 79 3HG2 VAL 79 -9.474 -7.545 9.846 648 HG22 VAL 79 1HG2 VAL 79 -10.817 -8.640 9.520 649 HG23 VAL 79 2HG2 VAL 79 -10.822 -7.652 10.980 650 HA PRO 80 HA PRO 80 -7.049 -3.348 10.158 651 HB2 PRO 80 2HB PRO 80 -7.057 -3.994 13.059 652 HB3 PRO 80 1HB PRO 80 -6.552 -2.514 12.237 653 HG2 PRO 80 2HG PRO 80 -8.850 -2.605 13.571 654 HG3 PRO 80 1HG PRO 80 -8.725 -1.730 12.032 655 HD2 PRO 80 2HD PRO 80 -9.936 -4.403 12.604 656 HD3 PRO 80 1HD PRO 80 -10.486 -3.128 11.495 657 H ILE 81 HN ILE 81 -5.710 -4.741 9.257 658 HA ILE 81 HA ILE 81 -5.487 -7.473 10.202 659 HB ILE 81 HB ILE 81 -5.631 -6.969 7.775 660 HG12 ILE 81 2HG1 ILE 81 -3.009 -8.240 8.606 661 HG13 ILE 81 1HG1 ILE 81 -4.567 -9.056 8.530 662 HG21 ILE 81 1HG2 ILE 81 -3.664 -6.034 6.613 663 HG22 ILE 81 2HG2 ILE 81 -2.934 -5.684 8.179 664 HG23 ILE 81 3HG2 ILE 81 -4.427 -4.877 7.705 665 HD11 ILE 81 3HD1 ILE 81 -4.640 -8.731 6.127 666 HD12 ILE 81 1HD1 ILE 81 -3.167 -9.572 6.603 667 HD13 ILE 81 2HD1 ILE 81 -3.108 -7.861 6.183 668 H GLU 82 HN GLU 82 -3.429 -8.453 10.708 669 HA GLU 82 HA GLU 82 -1.704 -6.884 12.324 670 HB2 GLU 82 2HB GLU 82 -1.428 -9.684 11.214 671 HB3 GLU 82 1HB GLU 82 -0.296 -8.969 12.353 672 HG2 GLU 82 2HG GLU 82 -3.233 -9.281 12.907 673 HG3 GLU 82 1HG GLU 82 -2.013 -10.470 13.364 674 H SER 83 HN SER 83 -0.451 -5.369 11.452 675 HA SER 83 HA SER 83 0.785 -5.854 8.846 676 HB2 SER 83 2HB SER 83 -0.596 -3.770 9.263 677 HB3 SER 83 1HB SER 83 0.660 -3.244 10.379 678 HG SER 83 HG SER 83 0.752 -3.522 7.585 679 H GLY 84 HN GLY 84 2.977 -4.272 8.915 680 HA2 GLY 84 2HA GLY 84 4.671 -5.818 10.747 681 HA3 GLY 84 1HA GLY 84 5.202 -5.058 9.254 682 H TYR 85 HN TYR 85 6.083 -4.934 12.133 683 HA TYR 85 HA TYR 85 5.789 -2.102 12.731 684 HB2 TYR 85 2HB TYR 85 5.751 -3.846 14.530 685 HB3 TYR 85 1HB TYR 85 7.429 -4.215 14.153 686 HD1 TYR 85 2HD TYR 85 5.266 -1.317 15.108 687 HD2 TYR 85 1HD TYR 85 9.089 -3.166 15.374 688 HE1 TYR 85 2HE TYR 85 5.987 0.413 16.700 689 HE2 TYR 85 1HE TYR 85 9.818 -1.443 16.968 690 HH TYR 85 HH TYR 85 9.271 0.811 17.622 691 H THR 86 HN THR 86 7.077 -0.682 11.784 692 HA THR 86 HA THR 86 9.218 -1.473 10.124 693 HB THR 86 HB THR 86 8.469 1.294 11.079 694 HG1 THR 86 1HG THR 86 7.709 -0.311 8.846 695 HG21 THR 86 3HG2 THR 86 10.763 1.188 10.196 696 HG22 THR 86 1HG2 THR 86 9.695 2.093 9.125 697 HG23 THR 86 2HG2 THR 86 10.151 0.439 8.720 698 H LEU 87 HN LEU 87 11.234 -1.870 10.588 699 HA LEU 87 HA LEU 87 12.369 -0.874 13.099 700 HB2 LEU 87 2HB LEU 87 12.499 -3.342 12.229 701 HB3 LEU 87 1HB LEU 87 13.774 -2.727 11.199 702 HG LEU 87 HG LEU 87 13.826 -2.467 14.208 703 HD11 LEU 87 1HD1 LEU 87 13.745 -4.828 13.571 704 HD12 LEU 87 2HD1 LEU 87 15.325 -4.380 14.217 705 HD13 LEU 87 3HD1 LEU 87 15.109 -4.578 12.478 706 HD21 LEU 87 3HD2 LEU 87 16.221 -2.109 13.859 707 HD22 LEU 87 1HD2 LEU 87 15.263 -0.902 13.002 708 HD23 LEU 87 2HD2 LEU 87 15.990 -2.238 12.117 709 H GLU 88 HN GLU 88 12.936 1.195 12.735 710 HA GLU 88 HA GLU 88 14.418 1.796 10.275 711 HB2 GLU 88 2HB GLU 88 13.835 4.213 10.888 712 HB3 GLU 88 1HB GLU 88 12.531 3.186 10.315 713 HG2 GLU 88 2HG GLU 88 11.889 2.784 12.681 714 HG3 GLU 88 1HG GLU 88 13.109 3.961 13.163 715 H HIS 89 HN HIS 89 16.404 1.093 10.980 716 HA HIS 89 HA HIS 89 17.604 2.498 13.267 717 HB2 HIS 89 2HB HIS 89 17.695 -0.048 13.042 718 HB3 HIS 89 1HB HIS 89 18.790 0.204 11.691 719 HD1 HIS 89 1HD HIS 89 18.592 0.473 15.429 720 HD2 HIS 89 2HD HIS 89 21.397 0.928 12.388 721 HE1 HIS 89 1HE HIS 89 20.828 0.633 16.578 722 HE2 HIS 89 2HE HIS 89 22.480 1.104 14.731 723 H HIS 90 HN HIS 90 17.128 3.010 10.151 724 HA HIS 90 HA HIS 90 19.750 4.283 9.735 725 HB2 HIS 90 2HB HIS 90 17.939 2.890 7.772 726 HB3 HIS 90 1HB HIS 90 19.115 4.084 7.242 727 HD1 HIS 90 1HD HIS 90 18.767 0.582 7.571 728 HD2 HIS 90 2HD HIS 90 21.856 3.271 8.274 729 HE1 HIS 90 1HE HIS 90 20.876 -0.782 7.504 730 HE2 HIS 90 2HE HIS 90 22.738 0.899 7.711 731 H HIS 91 HN HIS 91 19.722 6.249 8.502 732 HA HIS 91 HA HIS 91 17.072 7.520 8.244 733 HB2 HIS 91 2HB HIS 91 18.120 9.703 8.645 734 HB3 HIS 91 1HB HIS 91 18.374 8.640 10.019 735 HD1 HIS 91 1HD HIS 91 20.737 8.322 10.778 736 HD2 HIS 91 2HD HIS 91 20.501 10.084 7.020 737 HE1 HIS 91 1HE HIS 91 23.092 8.981 10.186 738 HE2 HIS 91 2HE HIS 91 22.946 9.899 7.840 739 H HIS 92 HN HIS 92 16.645 8.472 6.252 740 HA HIS 92 HA HIS 92 18.601 7.784 4.197 741 HB2 HIS 92 2HB HIS 92 16.140 7.143 4.012 742 HB3 HIS 92 1HB HIS 92 15.820 8.849 3.710 743 HD1 HIS 92 1HD HIS 92 14.914 7.941 1.347 744 HD2 HIS 92 2HD HIS 92 19.016 7.624 1.992 745 HE1 HIS 92 1HE HIS 92 15.940 7.549 -0.922 746 HE2 HIS 92 2HE HIS 92 18.404 7.217 -0.490 747 H HIS 93 HN HIS 93 16.318 10.511 4.273 748 HA HIS 93 HA HIS 93 16.573 12.738 3.962 749 HB2 HIS 93 2HB HIS 93 18.029 12.879 5.824 750 HB3 HIS 93 1HB HIS 93 19.352 12.115 4.954 751 HD1 HIS 93 1HD HIS 93 17.357 15.377 4.807 752 HD2 HIS 93 2HD HIS 93 21.134 13.865 3.931 753 HE1 HIS 93 1HE HIS 93 18.734 17.356 4.094 754 HE2 HIS 93 2HE HIS 93 20.995 16.411 3.501 755 H HIS 94 HN HIS 94 16.875 14.083 2.298 756 HA HIS 94 HA HIS 94 19.010 13.810 0.422 757 HB2 HIS 94 2HB HIS 94 17.402 13.532 -1.563 758 HB3 HIS 94 1HB HIS 94 17.779 12.096 -0.622 759 HD1 HIS 94 1HD HIS 94 14.981 14.503 -1.330 760 HD2 HIS 94 2HD HIS 94 15.635 10.921 0.667 761 HE1 HIS 94 1HE HIS 94 12.693 13.625 -0.753 762 HE2 HIS 94 2HE HIS 94 13.112 11.370 0.312 Start of MODEL 12 1 H1 MET 1 H1 MET 1 12.237 12.614 13.440 2 H2 MET 1 H2 MET 1 12.564 13.952 12.446 3 H3 MET 1 H3 MET 1 12.993 13.987 14.083 4 HA MET 1 HA MET 1 14.901 13.617 12.629 5 HB2 MET 1 2HB MET 1 14.104 11.361 14.478 6 HB3 MET 1 1HB MET 1 15.715 11.539 13.798 7 HG2 MET 1 2HG MET 1 15.702 12.386 16.035 8 HG3 MET 1 1HG MET 1 15.917 13.725 14.911 9 HE1 MET 1 2HE MET 1 13.895 15.362 17.832 10 HE2 MET 1 3HE MET 1 15.364 15.420 16.860 11 HE3 MET 1 1HE MET 1 15.108 14.092 17.994 12 H VAL 2 HN VAL 2 16.101 11.628 11.679 13 HA VAL 2 HA VAL 2 16.293 9.860 10.274 14 HB VAL 2 HB VAL 2 13.311 9.502 10.610 15 HG11 VAL 2 1HG1 VAL 2 15.374 7.663 9.400 16 HG12 VAL 2 2HG1 VAL 2 14.074 8.487 8.541 17 HG13 VAL 2 3HG1 VAL 2 13.694 7.238 9.725 18 HG21 VAL 2 3HG2 VAL 2 13.959 7.649 12.104 19 HG22 VAL 2 1HG2 VAL 2 14.490 9.220 12.705 20 HG23 VAL 2 2HG2 VAL 2 15.649 8.133 11.940 21 H LYS 3 HN LYS 3 13.243 11.567 9.471 22 HA LYS 3 HA LYS 3 12.449 12.449 7.522 23 HB2 LYS 3 2HB LYS 3 14.627 13.674 7.527 24 HB3 LYS 3 1HB LYS 3 15.335 12.368 6.592 25 HG2 LYS 3 2HG LYS 3 13.649 12.860 4.802 26 HG3 LYS 3 1HG LYS 3 13.186 14.290 5.726 27 HD2 LYS 3 2HD LYS 3 15.424 15.183 5.542 28 HD3 LYS 3 1HD LYS 3 15.974 13.717 4.731 29 HE2 LYS 3 2HE LYS 3 15.596 15.497 3.123 30 HE3 LYS 3 1HE LYS 3 14.457 14.176 2.865 31 HZ1 LYS 3 3HZ LYS 3 13.459 16.436 2.749 32 HZ2 LYS 3 1HZ LYS 3 13.808 16.637 4.397 33 HZ3 LYS 3 2HZ LYS 3 12.729 15.426 3.894 34 H ASP 4 HN ASP 4 12.400 11.910 4.998 35 HA ASP 4 HA ASP 4 12.274 10.416 3.270 36 HB2 ASP 4 2HB ASP 4 14.696 10.042 4.048 37 HB3 ASP 4 1HB ASP 4 14.096 8.613 4.874 38 H LYS 5 HN LYS 5 10.397 10.456 5.338 39 HA LYS 5 HA LYS 5 9.862 7.919 6.513 40 HB2 LYS 5 2HB LYS 5 9.280 10.154 7.472 41 HB3 LYS 5 1HB LYS 5 8.049 10.317 6.232 42 HG2 LYS 5 2HG LYS 5 6.859 8.392 7.142 43 HG3 LYS 5 1HG LYS 5 8.109 8.201 8.378 44 HD2 LYS 5 2HD LYS 5 7.597 10.488 9.190 45 HD3 LYS 5 1HD LYS 5 6.297 10.587 8.004 46 HE2 LYS 5 2HE LYS 5 6.469 8.553 10.225 47 HE3 LYS 5 1HE LYS 5 5.496 10.023 10.270 48 HZ1 LYS 5 3HZ LYS 5 4.024 8.352 9.620 49 HZ2 LYS 5 1HZ LYS 5 5.142 7.637 8.556 50 HZ3 LYS 5 2HZ LYS 5 4.423 9.129 8.167 51 H GLN 6 HN GLN 6 8.954 9.374 3.512 52 HA GLN 6 HA GLN 6 6.419 8.261 3.121 53 HB2 GLN 6 2HB GLN 6 7.266 10.098 1.764 54 HB3 GLN 6 1HB GLN 6 8.489 9.047 1.066 55 HG2 GLN 6 2HG GLN 6 6.647 9.399 -0.478 56 HG3 GLN 6 1HG GLN 6 6.769 7.711 -0.004 57 HE21 GLN 6 1HE2 GLN 6 5.157 6.793 1.253 58 HE22 GLN 6 2HE2 GLN 6 3.614 7.550 1.473 59 H LYS 7 HN LYS 7 9.611 6.944 2.269 60 HA LYS 7 HA LYS 7 8.609 4.778 0.756 61 HB2 LYS 7 2HB LYS 7 10.860 3.775 1.087 62 HB3 LYS 7 1HB LYS 7 10.885 5.422 0.489 63 HG2 LYS 7 2HG LYS 7 11.565 6.281 2.579 64 HG3 LYS 7 1HG LYS 7 11.253 4.743 3.384 65 HD2 LYS 7 2HD LYS 7 13.673 5.263 2.907 66 HD3 LYS 7 1HD LYS 7 13.091 3.706 2.316 67 HE2 LYS 7 2HE LYS 7 14.513 4.879 0.683 68 HE3 LYS 7 1HE LYS 7 12.885 4.584 0.079 69 HZ1 LYS 7 3HZ LYS 7 13.807 7.155 1.248 70 HZ2 LYS 7 1HZ LYS 7 12.310 6.862 0.509 71 HZ3 LYS 7 2HZ LYS 7 13.727 6.830 -0.417 72 H ALA 8 HN ALA 8 9.341 5.157 4.147 73 HA ALA 8 HA ALA 8 9.202 2.504 4.989 74 HB1 ALA 8 1HB ALA 8 8.302 4.949 6.514 75 HB2 ALA 8 2HB ALA 8 9.959 4.354 6.413 76 HB3 ALA 8 3HB ALA 8 8.721 3.381 7.206 77 H ILE 9 HN ILE 9 6.603 4.883 4.599 78 HA ILE 9 HA ILE 9 4.527 3.188 5.513 79 HB ILE 9 HB ILE 9 4.381 5.546 3.629 80 HG12 ILE 9 2HG1 ILE 9 3.882 5.354 6.606 81 HG13 ILE 9 1HG1 ILE 9 5.292 6.089 5.849 82 HG21 ILE 9 1HG2 ILE 9 2.418 4.106 3.414 83 HG22 ILE 9 2HG2 ILE 9 2.004 5.635 4.191 84 HG23 ILE 9 3HG2 ILE 9 2.171 4.170 5.161 85 HD11 ILE 9 3HD1 ILE 9 2.444 7.038 5.613 86 HD12 ILE 9 1HD1 ILE 9 3.836 7.760 4.803 87 HD13 ILE 9 2HD1 ILE 9 3.730 7.783 6.565 88 H PHE 10 HN PHE 10 5.620 4.048 2.249 89 HA PHE 10 HA PHE 10 3.809 2.539 0.781 90 HB2 PHE 10 2HB PHE 10 5.251 4.209 -0.244 91 HB3 PHE 10 1HB PHE 10 6.679 3.260 0.143 92 HD1 PHE 10 1HD PHE 10 3.556 3.217 -1.861 93 HD2 PHE 10 2HD PHE 10 7.487 1.662 -1.348 94 HE1 PHE 10 1HE PHE 10 3.390 2.085 -4.038 95 HE2 PHE 10 2HE PHE 10 7.326 0.529 -3.527 96 HZ PHE 10 HZ PHE 10 5.276 0.742 -4.873 97 H SER 11 HN SER 11 7.052 1.640 1.918 98 HA SER 11 HA SER 11 7.086 -0.949 0.846 99 HB2 SER 11 2HB SER 11 9.118 0.123 1.618 100 HB3 SER 11 1HB SER 11 8.505 0.183 3.268 101 HG SER 11 HG SER 11 9.254 -2.099 1.755 102 H GLU 12 HN GLU 12 6.191 0.168 4.111 103 HA GLU 12 HA GLU 12 5.795 -2.410 5.162 104 HB2 GLU 12 2HB GLU 12 5.970 0.010 6.270 105 HB3 GLU 12 1HB GLU 12 4.217 -0.135 6.252 106 HG2 GLU 12 2HG GLU 12 5.025 -0.891 8.364 107 HG3 GLU 12 1HG GLU 12 4.426 -2.283 7.460 108 H ASN 13 HN ASN 13 3.610 -0.183 3.535 109 HA ASN 13 HA ASN 13 1.258 -1.720 4.050 110 HB2 ASN 13 2HB ASN 13 1.926 0.554 2.201 111 HB3 ASN 13 1HB ASN 13 0.388 -0.292 2.047 112 HD21 ASN 13 1HD2 ASN 13 -0.602 1.742 2.577 113 HD22 ASN 13 2HD2 ASN 13 -0.695 2.252 4.226 114 H LEU 14 HN LEU 14 3.247 -1.263 1.131 115 HA LEU 14 HA LEU 14 1.802 -3.043 -0.486 116 HB2 LEU 14 2HB LEU 14 3.340 -1.336 -1.355 117 HB3 LEU 14 1HB LEU 14 4.700 -2.225 -0.699 118 HG LEU 14 HG LEU 14 4.117 -4.120 -2.224 119 HD11 LEU 14 1HD1 LEU 14 1.754 -3.580 -2.542 120 HD12 LEU 14 2HD1 LEU 14 2.603 -3.697 -4.084 121 HD13 LEU 14 3HD1 LEU 14 2.208 -2.114 -3.412 122 HD21 LEU 14 3HD2 LEU 14 4.665 -1.458 -3.528 123 HD22 LEU 14 1HD2 LEU 14 4.994 -3.039 -4.237 124 HD23 LEU 14 2HD2 LEU 14 5.863 -2.523 -2.792 125 H ASN 15 HN ASN 15 4.700 -3.552 1.496 126 HA ASN 15 HA ASN 15 5.375 -6.107 0.563 127 HB2 ASN 15 2HB ASN 15 6.720 -4.512 2.053 128 HB3 ASN 15 1HB ASN 15 5.798 -5.160 3.401 129 HD21 ASN 15 1HD2 ASN 15 8.664 -5.250 2.767 130 HD22 ASN 15 2HD2 ASN 15 9.095 -6.921 2.765 131 H SER 16 HN SER 16 3.164 -5.081 3.100 132 HA SER 16 HA SER 16 2.672 -7.596 4.243 133 HB2 SER 16 2HB SER 16 0.867 -5.166 4.105 134 HB3 SER 16 1HB SER 16 0.641 -6.543 5.183 135 HG SER 16 HG SER 16 2.506 -4.471 5.292 136 H TYR 17 HN TYR 17 1.028 -5.880 1.598 137 HA TYR 17 HA TYR 17 -0.985 -7.872 1.294 138 HB2 TYR 17 2HB TYR 17 -0.073 -5.625 -0.502 139 HB3 TYR 17 1HB TYR 17 -1.390 -6.715 -0.929 140 HD1 TYR 17 1HD TYR 17 -3.343 -6.884 0.745 141 HD2 TYR 17 2HD TYR 17 -0.509 -3.713 0.768 142 HE1 TYR 17 1HE TYR 17 -4.919 -5.494 2.019 143 HE2 TYR 17 2HE TYR 17 -2.080 -2.312 2.042 144 HH TYR 17 HH TYR 17 -4.574 -2.175 2.402 145 H ILE 18 HN ILE 18 2.191 -7.369 -0.095 146 HA ILE 18 HA ILE 18 2.046 -9.302 -2.149 147 HB ILE 18 HB ILE 18 4.454 -8.434 -0.533 148 HG12 ILE 18 2HG1 ILE 18 3.547 -7.481 -3.259 149 HG13 ILE 18 1HG1 ILE 18 3.217 -6.616 -1.762 150 HG21 ILE 18 1HG2 ILE 18 5.761 -9.223 -2.487 151 HG22 ILE 18 2HG2 ILE 18 4.276 -9.899 -3.161 152 HG23 ILE 18 3HG2 ILE 18 4.915 -10.520 -1.641 153 HD11 ILE 18 3HD1 ILE 18 5.612 -6.355 -1.383 154 HD12 ILE 18 1HD1 ILE 18 5.124 -5.672 -2.936 155 HD13 ILE 18 2HD1 ILE 18 5.941 -7.235 -2.877 156 H ALA 19 HN ALA 19 2.891 -9.509 1.271 157 HA ALA 19 HA ALA 19 3.595 -12.277 1.181 158 HB1 ALA 19 1HB ALA 19 4.491 -10.737 2.871 159 HB2 ALA 19 2HB ALA 19 3.698 -12.137 3.599 160 HB3 ALA 19 3HB ALA 19 2.876 -10.576 3.564 161 H LYS 20 HN LYS 20 0.651 -10.482 1.957 162 HA LYS 20 HA LYS 20 -0.737 -12.714 3.024 163 HB2 LYS 20 2HB LYS 20 -1.622 -10.005 2.062 164 HB3 LYS 20 1HB LYS 20 -2.744 -11.190 2.695 165 HG2 LYS 20 2HG LYS 20 -1.426 -11.244 4.798 166 HG3 LYS 20 1HG LYS 20 -0.429 -9.942 4.152 167 HD2 LYS 20 2HD LYS 20 -2.125 -9.057 5.643 168 HD3 LYS 20 1HD LYS 20 -2.426 -8.519 3.986 169 HE2 LYS 20 2HE LYS 20 -4.164 -10.147 3.712 170 HE3 LYS 20 1HE LYS 20 -3.775 -10.892 5.263 171 HZ1 LYS 20 3HZ LYS 20 -5.733 -9.450 5.369 172 HZ2 LYS 20 1HZ LYS 20 -4.782 -8.117 4.925 173 HZ3 LYS 20 2HZ LYS 20 -4.493 -8.914 6.392 174 H SER 21 HN SER 21 -0.538 -11.296 -0.211 175 HA SER 21 HA SER 21 -2.504 -13.053 -1.320 176 HB2 SER 21 2HB SER 21 -1.520 -12.246 -3.498 177 HB3 SER 21 1HB SER 21 -2.092 -10.960 -2.444 178 HG SER 21 HG SER 21 -0.071 -10.348 -2.055 179 H GLU 22 HN GLU 22 0.877 -13.118 -0.663 180 HA GLU 22 HA GLU 22 2.442 -14.739 -0.665 181 HB2 GLU 22 2HB GLU 22 0.420 -15.971 0.369 182 HB3 GLU 22 1HB GLU 22 0.299 -16.783 -1.188 183 HG2 GLU 22 2HG GLU 22 2.412 -17.797 -0.938 184 HG3 GLU 22 1HG GLU 22 2.838 -16.734 0.404 185 H LYS 23 HN LYS 23 1.623 -13.432 -3.119 186 HA LYS 23 HA LYS 23 2.296 -15.397 -5.149 187 HB2 LYS 23 2HB LYS 23 1.447 -12.502 -5.207 188 HB3 LYS 23 1HB LYS 23 1.994 -13.349 -6.639 189 HG2 LYS 23 2HG LYS 23 0.144 -14.766 -6.666 190 HG3 LYS 23 1HG LYS 23 -0.226 -14.454 -4.971 191 HD2 LYS 23 2HD LYS 23 -1.839 -13.355 -6.423 192 HD3 LYS 23 1HD LYS 23 -0.887 -12.169 -5.531 193 HE2 LYS 23 2HE LYS 23 -1.111 -11.412 -7.785 194 HE3 LYS 23 1HE LYS 23 0.557 -11.912 -7.531 195 HZ1 LYS 23 3HZ LYS 23 -1.449 -13.731 -8.726 196 HZ2 LYS 23 1HZ LYS 23 0.245 -13.841 -8.788 197 HZ3 LYS 23 2HZ LYS 23 -0.563 -12.634 -9.668 198 H THR 24 HN THR 24 4.181 -15.093 -6.493 199 HA THR 24 HA THR 24 6.431 -14.275 -4.916 200 HB THR 24 HB THR 24 7.631 -14.886 -7.176 201 HG1 THR 24 1HG THR 24 6.415 -15.988 -8.585 202 HG21 THR 24 3HG2 THR 24 7.640 -17.228 -6.504 203 HG22 THR 24 1HG2 THR 24 6.217 -16.962 -5.499 204 HG23 THR 24 2HG2 THR 24 7.743 -16.182 -5.089 205 H GLN 25 HN GLN 25 7.918 -12.691 -5.344 206 HA GLN 25 HA GLN 25 6.940 -10.224 -6.224 207 HB2 GLN 25 2HB GLN 25 9.770 -11.202 -5.830 208 HB3 GLN 25 1HB GLN 25 9.355 -9.523 -6.147 209 HG2 GLN 25 2HG GLN 25 8.085 -9.406 -4.105 210 HG3 GLN 25 1HG GLN 25 8.350 -11.123 -3.810 211 HE21 GLN 25 1HE2 GLN 25 10.850 -9.071 -5.102 212 HE22 GLN 25 2HE2 GLN 25 11.847 -9.064 -3.690 213 H LEU 26 HN LEU 26 8.893 -12.663 -7.853 214 HA LEU 26 HA LEU 26 9.433 -11.241 -10.219 215 HB2 LEU 26 2HB LEU 26 10.043 -13.720 -9.204 216 HB3 LEU 26 1HB LEU 26 8.957 -14.125 -10.519 217 HG LEU 26 HG LEU 26 11.460 -12.468 -10.812 218 HD11 LEU 26 1HD1 LEU 26 12.005 -14.766 -10.230 219 HD12 LEU 26 2HD1 LEU 26 12.393 -14.444 -11.923 220 HD13 LEU 26 3HD1 LEU 26 10.942 -15.354 -11.508 221 HD21 LEU 26 3HD2 LEU 26 11.105 -12.833 -13.221 222 HD22 LEU 26 1HD2 LEU 26 9.787 -11.922 -12.483 223 HD23 LEU 26 2HD2 LEU 26 9.577 -13.633 -12.857 224 H GLU 27 HN GLU 27 6.778 -13.385 -9.316 225 HA GLU 27 HA GLU 27 5.416 -13.461 -11.748 226 HB2 GLU 27 2HB GLU 27 5.183 -14.817 -9.524 227 HB3 GLU 27 1HB GLU 27 4.038 -13.561 -9.084 228 HG2 GLU 27 2HG GLU 27 3.553 -14.654 -11.720 229 HG3 GLU 27 1HG GLU 27 3.493 -15.866 -10.446 230 H ILE 28 HN ILE 28 4.879 -11.421 -8.881 231 HA ILE 28 HA ILE 28 2.726 -9.961 -9.979 232 HB ILE 28 HB ILE 28 4.624 -9.092 -7.793 233 HG12 ILE 28 2HG1 ILE 28 1.974 -10.551 -7.600 234 HG13 ILE 28 1HG1 ILE 28 3.557 -11.275 -7.333 235 HG21 ILE 28 1HG2 ILE 28 2.779 -7.653 -7.066 236 HG22 ILE 28 2HG2 ILE 28 1.829 -8.173 -8.456 237 HG23 ILE 28 3HG2 ILE 28 3.310 -7.248 -8.698 238 HD11 ILE 28 3HD1 ILE 28 3.915 -9.807 -5.422 239 HD12 ILE 28 1HD1 ILE 28 2.447 -10.766 -5.230 240 HD13 ILE 28 2HD1 ILE 28 2.337 -9.067 -5.689 241 H ALA 29 HN ALA 29 6.214 -9.367 -9.910 242 HA ALA 29 HA ALA 29 6.268 -6.733 -10.786 243 HB1 ALA 29 1HB ALA 29 8.538 -7.167 -11.531 244 HB2 ALA 29 2HB ALA 29 8.247 -8.905 -11.453 245 HB3 ALA 29 3HB ALA 29 8.238 -7.943 -9.974 246 H LYS 30 HN LYS 30 6.129 -9.718 -12.682 247 HA LYS 30 HA LYS 30 6.401 -8.500 -15.212 248 HB2 LYS 30 2HB LYS 30 5.176 -11.124 -14.376 249 HB3 LYS 30 1HB LYS 30 5.339 -10.631 -16.057 250 HG2 LYS 30 2HG LYS 30 7.770 -10.479 -15.765 251 HG3 LYS 30 1HG LYS 30 7.590 -11.017 -14.093 252 HD2 LYS 30 2HD LYS 30 6.706 -13.133 -14.820 253 HD3 LYS 30 1HD LYS 30 6.694 -12.595 -16.501 254 HE2 LYS 30 2HE LYS 30 9.125 -12.414 -16.465 255 HE3 LYS 30 1HE LYS 30 9.144 -12.914 -14.774 256 HZ1 LYS 30 3HZ LYS 30 8.219 -15.043 -15.420 257 HZ2 LYS 30 1HZ LYS 30 9.663 -14.749 -16.260 258 HZ3 LYS 30 2HZ LYS 30 8.175 -14.564 -17.045 259 H SER 31 HN SER 31 3.560 -9.362 -13.287 260 HA SER 31 HA SER 31 1.638 -8.614 -15.214 261 HB2 SER 31 2HB SER 31 1.393 -8.720 -12.200 262 HB3 SER 31 1HB SER 31 0.049 -8.673 -13.342 263 HG SER 31 HG SER 31 0.658 -10.681 -14.122 264 H ILE 32 HN ILE 32 3.427 -6.812 -12.809 265 HA ILE 32 HA ILE 32 1.880 -4.412 -13.041 266 HB ILE 32 HB ILE 32 4.692 -4.810 -12.000 267 HG12 ILE 32 2HG1 ILE 32 3.115 -6.039 -10.664 268 HG13 ILE 32 1HG1 ILE 32 3.579 -4.594 -9.772 269 HG21 ILE 32 1HG2 ILE 32 2.860 -2.428 -11.734 270 HG22 ILE 32 2HG2 ILE 32 4.357 -2.497 -12.667 271 HG23 ILE 32 3HG2 ILE 32 4.405 -2.627 -10.907 272 HD11 ILE 32 3HD1 ILE 32 1.025 -4.974 -11.325 273 HD12 ILE 32 1HD1 ILE 32 1.486 -3.518 -10.441 274 HD13 ILE 32 2HD1 ILE 32 1.202 -5.026 -9.571 275 H GLY 33 HN GLY 33 4.899 -5.603 -14.446 276 HA2 GLY 33 2HA GLY 33 5.193 -5.053 -16.844 277 HA3 GLY 33 1HA GLY 33 4.706 -3.417 -16.430 278 H VAL 34 HN VAL 34 6.693 -5.041 -14.159 279 HA VAL 34 HA VAL 34 9.065 -3.624 -15.176 280 HB VAL 34 HB VAL 34 9.739 -3.176 -12.834 281 HG11 VAL 34 1HG1 VAL 34 7.069 -2.004 -13.607 282 HG12 VAL 34 2HG1 VAL 34 8.649 -1.429 -14.133 283 HG13 VAL 34 3HG1 VAL 34 8.195 -1.321 -12.435 284 HG21 VAL 34 3HG2 VAL 34 8.062 -3.337 -11.043 285 HG22 VAL 34 1HG2 VAL 34 8.474 -4.917 -11.710 286 HG23 VAL 34 2HG2 VAL 34 6.960 -4.137 -12.164 287 H SER 35 HN SER 35 11.086 -4.453 -13.959 288 HA SER 35 HA SER 35 11.104 -7.336 -14.177 289 HB2 SER 35 2HB SER 35 13.335 -5.388 -13.534 290 HB3 SER 35 1HB SER 35 13.538 -7.102 -13.900 291 HG SER 35 HG SER 35 13.128 -6.741 -15.969 292 HA PRO 36 HA PRO 36 10.677 -8.440 -9.944 293 HB2 PRO 36 2HB PRO 36 12.833 -10.154 -9.606 294 HB3 PRO 36 1HB PRO 36 11.266 -10.613 -10.279 295 HG2 PRO 36 2HG PRO 36 13.804 -9.905 -11.687 296 HG3 PRO 36 1HG PRO 36 12.616 -11.163 -12.078 297 HD2 PRO 36 2HD PRO 36 12.704 -8.870 -13.447 298 HD3 PRO 36 1HD PRO 36 11.154 -9.645 -13.057 299 H GLN 37 HN GLN 37 13.850 -7.428 -11.025 300 HA GLN 37 HA GLN 37 15.004 -6.922 -8.501 301 HB2 GLN 37 2HB GLN 37 16.193 -7.106 -10.718 302 HB3 GLN 37 1HB GLN 37 15.604 -5.496 -11.091 303 HG2 GLN 37 2HG GLN 37 16.821 -4.575 -9.218 304 HG3 GLN 37 1HG GLN 37 17.361 -6.187 -8.747 305 HE21 GLN 37 1HE2 GLN 37 18.954 -3.857 -9.459 306 HE22 GLN 37 2HE2 GLN 37 19.936 -4.340 -10.803 307 H THR 38 HN THR 38 13.102 -4.953 -10.720 308 HA THR 38 HA THR 38 13.378 -2.508 -9.280 309 HB THR 38 HB THR 38 11.094 -3.221 -11.126 310 HG1 THR 38 1HG THR 38 12.911 -1.994 -12.548 311 HG21 THR 38 3HG2 THR 38 10.940 -1.084 -9.918 312 HG22 THR 38 1HG2 THR 38 11.141 -0.833 -11.653 313 HG23 THR 38 2HG2 THR 38 12.510 -0.610 -10.564 314 H PHE 39 HN PHE 39 11.090 -5.151 -9.342 315 HA PHE 39 HA PHE 39 9.191 -4.012 -7.574 316 HB2 PHE 39 2HB PHE 39 8.893 -5.988 -9.174 317 HB3 PHE 39 1HB PHE 39 9.703 -6.961 -7.951 318 HD1 PHE 39 1HD PHE 39 6.734 -4.855 -8.586 319 HD2 PHE 39 2HD PHE 39 8.560 -7.746 -6.053 320 HE1 PHE 39 1HE PHE 39 4.600 -5.163 -7.402 321 HE2 PHE 39 2HE PHE 39 6.429 -8.056 -4.868 322 HZ PHE 39 HZ PHE 39 4.449 -6.763 -5.540 323 H ASN 40 HN ASN 40 12.095 -5.930 -7.174 324 HA ASN 40 HA ASN 40 11.797 -6.558 -4.447 325 HB2 ASN 40 2HB ASN 40 13.432 -7.633 -6.028 326 HB3 ASN 40 1HB ASN 40 14.403 -6.168 -5.937 327 HD21 ASN 40 1HD2 ASN 40 15.637 -5.788 -4.141 328 HD22 ASN 40 2HD2 ASN 40 15.835 -6.934 -2.859 329 H THR 41 HN THR 41 13.224 -3.766 -6.102 330 HA THR 41 HA THR 41 14.177 -2.550 -3.722 331 HB THR 41 HB THR 41 14.275 -0.441 -5.091 332 HG1 THR 41 1HG THR 41 12.583 -1.686 -6.650 333 HG21 THR 41 3HG2 THR 41 15.562 -2.899 -6.272 334 HG22 THR 41 1HG2 THR 41 16.181 -1.953 -4.917 335 HG23 THR 41 2HG2 THR 41 16.090 -1.234 -6.526 336 H TRP 42 HN TRP 42 11.057 -2.708 -5.208 337 HA TRP 42 HA TRP 42 9.948 -0.497 -3.750 338 HB2 TRP 42 2HB TRP 42 8.627 -2.796 -5.204 339 HB3 TRP 42 1HB TRP 42 7.747 -1.467 -4.456 340 HD1 TRP 42 1HD TRP 42 10.379 0.465 -5.685 341 HE1 TRP 42 1HE TRP 42 10.006 1.321 -8.083 342 HE3 TRP 42 3HE TRP 42 6.671 -2.748 -7.127 343 HZ2 TRP 42 2HZ TRP 42 8.352 0.725 -10.286 344 HZ3 TRP 42 3HZ TRP 42 5.743 -2.534 -9.398 345 HH2 TRP 42 2HH TRP 42 6.570 -0.831 -10.944 346 H CYS 43 HN CYS 43 10.055 -4.005 -3.382 347 HA CYS 43 HA CYS 43 8.496 -4.161 -1.037 348 HB2 CYS 43 2HB CYS 43 9.016 -6.112 -2.451 349 HB3 CYS 43 1HB CYS 43 10.713 -5.993 -2.000 350 HG CYS 43 HG CYS 43 8.839 -8.037 -0.720 351 H LYS 44 HN LYS 44 11.942 -3.702 -1.583 352 HA LYS 44 HA LYS 44 12.685 -3.627 1.161 353 HB2 LYS 44 2HB LYS 44 13.940 -3.123 -1.442 354 HB3 LYS 44 1HB LYS 44 14.556 -2.100 -0.156 355 HG2 LYS 44 2HG LYS 44 14.385 -5.089 0.075 356 HG3 LYS 44 1HG LYS 44 15.801 -4.243 -0.555 357 HD2 LYS 44 2HD LYS 44 15.948 -2.975 1.557 358 HD3 LYS 44 1HD LYS 44 14.573 -3.888 2.177 359 HE2 LYS 44 2HE LYS 44 15.819 -5.939 2.076 360 HE3 LYS 44 1HE LYS 44 17.163 -5.130 1.269 361 HZ1 LYS 44 3HZ LYS 44 16.214 -4.510 4.016 362 HZ2 LYS 44 1HZ LYS 44 17.563 -3.833 3.243 363 HZ3 LYS 44 2HZ LYS 44 17.557 -5.480 3.651 364 H GLY 45 HN GLY 45 11.009 -1.460 -0.849 365 HA2 GLY 45 2HA GLY 45 10.250 0.681 -0.515 366 HA3 GLY 45 1HA GLY 45 10.820 0.553 1.142 367 H ILE 46 HN ILE 46 12.739 0.267 -1.809 368 HA ILE 46 HA ILE 46 14.568 2.276 -0.783 369 HB ILE 46 HB ILE 46 14.688 0.633 -3.320 370 HG12 ILE 46 2HG1 ILE 46 16.167 0.330 -0.696 371 HG13 ILE 46 1HG1 ILE 46 14.846 -0.695 -1.247 372 HG21 ILE 46 1HG2 ILE 46 15.940 2.697 -3.577 373 HG22 ILE 46 2HG2 ILE 46 17.047 1.330 -3.424 374 HG23 ILE 46 3HG2 ILE 46 16.774 2.402 -2.050 375 HD11 ILE 46 3HD1 ILE 46 17.527 -0.411 -2.572 376 HD12 ILE 46 1HD1 ILE 46 16.207 -1.442 -3.121 377 HD13 ILE 46 2HD1 ILE 46 16.993 -1.765 -1.576 378 H ALA 47 HN ALA 47 12.338 1.860 -3.478 379 HA ALA 47 HA ALA 47 12.424 4.748 -3.926 380 HB1 ALA 47 1HB ALA 47 12.669 2.704 -6.133 381 HB2 ALA 47 2HB ALA 47 13.946 3.783 -5.574 382 HB3 ALA 47 3HB ALA 47 12.509 4.446 -6.352 383 H ILE 48 HN ILE 48 10.525 5.629 -4.715 384 HA ILE 48 HA ILE 48 8.216 3.804 -4.779 385 HB ILE 48 HB ILE 48 8.257 6.758 -4.105 386 HG12 ILE 48 2HG1 ILE 48 7.281 5.795 -1.893 387 HG13 ILE 48 1HG1 ILE 48 8.007 4.282 -2.419 388 HG21 ILE 48 1HG2 ILE 48 5.874 6.460 -3.562 389 HG22 ILE 48 2HG2 ILE 48 5.956 4.821 -4.211 390 HG23 ILE 48 3HG2 ILE 48 6.228 6.204 -5.270 391 HD11 ILE 48 3HD1 ILE 48 9.469 6.870 -1.968 392 HD12 ILE 48 1HD1 ILE 48 10.193 5.348 -2.475 393 HD13 ILE 48 2HD1 ILE 48 9.453 5.483 -0.880 394 HA PRO 49 HA PRO 49 8.094 4.974 -9.082 395 HB2 PRO 49 2HB PRO 49 5.943 3.518 -9.770 396 HB3 PRO 49 1HB PRO 49 7.499 2.761 -9.405 397 HG2 PRO 49 2HG PRO 49 5.087 3.070 -7.649 398 HG3 PRO 49 1HG PRO 49 6.116 1.645 -7.896 399 HD2 PRO 49 2HD PRO 49 6.375 3.313 -5.756 400 HD3 PRO 49 1HD PRO 49 7.736 2.410 -6.454 401 H ARG 50 HN ARG 50 6.329 5.779 -10.631 402 HA ARG 50 HA ARG 50 4.726 7.730 -9.156 403 HB2 ARG 50 2HB ARG 50 5.977 7.716 -11.852 404 HB3 ARG 50 1HB ARG 50 4.502 8.651 -11.636 405 HG2 ARG 50 2HG ARG 50 5.589 9.815 -9.726 406 HG3 ARG 50 1HG ARG 50 7.081 8.958 -10.110 407 HD2 ARG 50 2HD ARG 50 5.669 10.554 -12.208 408 HD3 ARG 50 1HD ARG 50 6.703 11.354 -11.025 409 HE ARG 50 HE ARG 50 8.447 9.654 -11.855 410 HH11 ARG 50 1HH1 ARG 50 5.912 11.006 -13.875 411 HH12 ARG 50 2HH1 ARG 50 6.899 11.028 -15.311 412 HH21 ARG 50 1HH2 ARG 50 9.741 9.687 -13.727 413 HH22 ARG 50 2HH2 ARG 50 9.090 10.300 -15.221 414 H MET 51 HN MET 51 2.928 8.395 -11.197 415 HA MET 51 HA MET 51 0.761 7.028 -10.215 416 HB2 MET 51 2HB MET 51 0.698 9.235 -11.332 417 HB3 MET 51 1HB MET 51 0.919 8.436 -12.883 418 HG2 MET 51 2HG MET 51 -1.395 8.954 -12.612 419 HG3 MET 51 1HG MET 51 -1.196 7.207 -12.498 420 HE1 MET 51 3HE MET 51 -0.404 9.969 -9.810 421 HE2 MET 51 1HE MET 51 -1.891 9.969 -8.863 422 HE3 MET 51 2HE MET 51 -1.910 10.536 -10.533 423 H GLY 52 HN GLY 52 2.416 6.427 -13.313 424 HA2 GLY 52 2HA GLY 52 0.527 4.629 -14.344 425 HA3 GLY 52 1HA GLY 52 2.219 4.701 -14.815 426 H LYS 53 HN LYS 53 3.191 4.089 -12.129 427 HA LYS 53 HA LYS 53 2.840 1.201 -12.332 428 HB2 LYS 53 2HB LYS 53 4.960 2.992 -11.260 429 HB3 LYS 53 1HB LYS 53 4.785 1.410 -10.515 430 HG2 LYS 53 2HG LYS 53 6.467 1.588 -12.391 431 HG3 LYS 53 1HG LYS 53 5.287 0.285 -12.519 432 HD2 LYS 53 2HD LYS 53 3.969 1.616 -14.080 433 HD3 LYS 53 1HD LYS 53 5.114 2.947 -13.928 434 HE2 LYS 53 2HE LYS 53 6.809 1.763 -15.040 435 HE3 LYS 53 1HE LYS 53 5.974 0.221 -14.842 436 HZ1 LYS 53 3HZ LYS 53 5.895 1.329 -17.123 437 HZ2 LYS 53 1HZ LYS 53 4.791 2.416 -16.432 438 HZ3 LYS 53 2HZ LYS 53 4.432 0.755 -16.479 439 H VAL 54 HN VAL 54 2.375 3.845 -10.045 440 HA VAL 54 HA VAL 54 1.705 2.254 -7.811 441 HB VAL 54 HB VAL 54 0.809 5.060 -8.510 442 HG11 VAL 54 1HG1 VAL 54 0.634 3.571 -5.892 443 HG12 VAL 54 2HG1 VAL 54 -0.723 4.078 -6.900 444 HG13 VAL 54 3HG1 VAL 54 0.293 5.288 -6.114 445 HG21 VAL 54 3HG2 VAL 54 3.008 4.069 -6.698 446 HG22 VAL 54 1HG2 VAL 54 2.551 5.757 -6.943 447 HG23 VAL 54 2HG2 VAL 54 3.228 4.821 -8.279 448 H GLN 55 HN GLN 55 -0.248 3.647 -10.425 449 HA GLN 55 HA GLN 55 -2.757 2.801 -9.459 450 HB2 GLN 55 2HB GLN 55 -2.167 4.463 -11.367 451 HB3 GLN 55 1HB GLN 55 -2.106 3.036 -12.388 452 HG2 GLN 55 2HG GLN 55 -4.508 3.734 -10.731 453 HG3 GLN 55 1HG GLN 55 -4.268 4.338 -12.366 454 HE21 GLN 55 1HE2 GLN 55 -6.320 2.588 -11.206 455 HE22 GLN 55 2HE2 GLN 55 -6.299 1.147 -12.169 456 H ALA 56 HN ALA 56 -0.336 1.243 -11.481 457 HA ALA 56 HA ALA 56 -1.858 -1.028 -12.194 458 HB1 ALA 56 1HB ALA 56 0.187 -0.383 -13.384 459 HB2 ALA 56 2HB ALA 56 0.283 -2.042 -12.792 460 HB3 ALA 56 3HB ALA 56 1.138 -0.755 -11.946 461 H LEU 57 HN LEU 57 0.328 -0.362 -9.487 462 HA LEU 57 HA LEU 57 0.192 -2.913 -8.289 463 HB2 LEU 57 2HB LEU 57 0.694 -0.180 -7.104 464 HB3 LEU 57 1HB LEU 57 0.849 -1.671 -6.202 465 HG LEU 57 HG LEU 57 2.471 -1.021 -8.659 466 HD11 LEU 57 1HD1 LEU 57 4.314 -0.592 -7.099 467 HD12 LEU 57 2HD1 LEU 57 3.207 -0.790 -5.740 468 HD13 LEU 57 3HD1 LEU 57 2.986 0.548 -6.868 469 HD21 LEU 57 3HD2 LEU 57 2.238 -3.404 -8.247 470 HD22 LEU 57 1HD2 LEU 57 2.729 -3.181 -6.565 471 HD23 LEU 57 2HD2 LEU 57 3.877 -2.874 -7.868 472 H ALA 58 HN ALA 58 -1.607 0.086 -7.695 473 HA ALA 58 HA ALA 58 -3.255 -0.837 -5.642 474 HB1 ALA 58 1HB ALA 58 -2.991 1.530 -6.256 475 HB2 ALA 58 2HB ALA 58 -4.686 1.053 -6.154 476 HB3 ALA 58 3HB ALA 58 -3.915 1.235 -7.728 477 H ASP 59 HN ASP 59 -3.768 -0.857 -9.144 478 HA ASP 59 HA ASP 59 -6.374 -1.915 -9.117 479 HB2 ASP 59 2HB ASP 59 -5.392 -0.860 -11.109 480 HB3 ASP 59 1HB ASP 59 -4.220 -2.167 -11.228 481 H TYR 60 HN TYR 60 -3.205 -3.420 -9.217 482 HA TYR 60 HA TYR 60 -4.071 -6.048 -9.750 483 HB2 TYR 60 2HB TYR 60 -1.722 -5.011 -9.968 484 HB3 TYR 60 1HB TYR 60 -1.549 -5.368 -8.252 485 HD1 TYR 60 1HD TYR 60 -2.498 -7.023 -11.456 486 HD2 TYR 60 2HD TYR 60 -0.681 -7.430 -7.633 487 HE1 TYR 60 1HE TYR 60 -1.818 -9.314 -12.032 488 HE2 TYR 60 2HE TYR 60 0.006 -9.722 -8.198 489 HH TYR 60 HH TYR 60 -0.086 -10.947 -11.357 490 H PHE 61 HN PHE 61 -3.656 -4.233 -6.774 491 HA PHE 61 HA PHE 61 -4.303 -6.622 -5.210 492 HB2 PHE 61 2HB PHE 61 -3.205 -3.923 -4.440 493 HB3 PHE 61 1HB PHE 61 -3.753 -5.097 -3.255 494 HD1 PHE 61 2HD PHE 61 -2.651 -7.394 -3.258 495 HD2 PHE 61 1HD PHE 61 -1.039 -4.027 -5.302 496 HE1 PHE 61 2HE PHE 61 -0.446 -8.484 -3.306 497 HE2 PHE 61 1HE PHE 61 1.168 -5.115 -5.353 498 HZ PHE 61 HZ PHE 61 1.466 -7.343 -4.351 499 H ASN 62 HN ASN 62 -6.006 -4.430 -6.793 500 HA ASN 62 HA ASN 62 -8.105 -3.580 -6.698 501 HB2 ASN 62 2HB ASN 62 -8.536 -6.041 -6.240 502 HB3 ASN 62 1HB ASN 62 -8.644 -5.616 -4.536 503 HD21 ASN 62 1HD2 ASN 62 -10.155 -5.359 -7.655 504 HD22 ASN 62 2HD2 ASN 62 -11.690 -4.795 -7.090 505 H ILE 63 HN ILE 63 -6.485 -1.950 -5.461 506 HA ILE 63 HA ILE 63 -8.103 -0.960 -3.216 507 HB ILE 63 HB ILE 63 -6.000 -0.114 -2.129 508 HG12 ILE 63 2HG1 ILE 63 -4.662 -2.086 -3.998 509 HG13 ILE 63 1HG1 ILE 63 -4.526 -0.333 -4.097 510 HG21 ILE 63 1HG2 ILE 63 -5.444 -2.241 -1.050 511 HG22 ILE 63 2HG2 ILE 63 -6.304 -3.108 -2.323 512 HG23 ILE 63 3HG2 ILE 63 -7.186 -2.033 -1.237 513 HD11 ILE 63 3HD1 ILE 63 -3.565 -2.064 -1.833 514 HD12 ILE 63 1HD1 ILE 63 -3.450 -0.306 -1.900 515 HD13 ILE 63 2HD1 ILE 63 -2.564 -1.292 -3.065 516 H ASN 64 HN ASN 64 -6.858 1.414 -2.735 517 HA ASN 64 HA ASN 64 -7.114 2.777 -5.324 518 HB2 ASN 64 2HB ASN 64 -7.476 3.695 -2.485 519 HB3 ASN 64 1HB ASN 64 -7.173 4.861 -3.768 520 HD21 ASN 64 1HD2 ASN 64 -9.426 2.647 -2.376 521 HD22 ASN 64 2HD2 ASN 64 -10.795 3.130 -3.328 522 H LYS 65 HN LYS 65 -5.669 4.601 -5.729 523 HA LYS 65 HA LYS 65 -2.955 3.950 -5.500 524 HB2 LYS 65 2HB LYS 65 -2.555 6.284 -6.287 525 HB3 LYS 65 1HB LYS 65 -3.729 5.410 -7.261 526 HG2 LYS 65 2HG LYS 65 -5.551 6.575 -6.200 527 HG3 LYS 65 1HG LYS 65 -4.439 7.365 -5.082 528 HD2 LYS 65 2HD LYS 65 -3.380 8.531 -6.945 529 HD3 LYS 65 1HD LYS 65 -4.460 7.717 -8.080 530 HE2 LYS 65 2HE LYS 65 -6.382 8.790 -7.071 531 HE3 LYS 65 1HE LYS 65 -5.356 9.534 -5.846 532 HZ1 LYS 65 3HZ LYS 65 -5.936 11.074 -7.628 533 HZ2 LYS 65 1HZ LYS 65 -5.191 10.061 -8.766 534 HZ3 LYS 65 2HZ LYS 65 -4.261 10.812 -7.560 535 H SER 66 HN SER 66 -5.065 5.778 -3.433 536 HA SER 66 HA SER 66 -3.043 7.164 -2.000 537 HB2 SER 66 2HB SER 66 -5.141 7.359 -0.370 538 HB3 SER 66 1HB SER 66 -5.035 8.283 -1.870 539 HG SER 66 HG SER 66 -6.956 6.684 -1.216 540 H ASP 67 HN ASP 67 -4.338 3.982 -1.784 541 HA ASP 67 HA ASP 67 -3.909 3.514 0.981 542 HB2 ASP 67 2HB ASP 67 -4.128 1.646 -1.381 543 HB3 ASP 67 1HB ASP 67 -3.922 1.070 0.270 544 H LEU 68 HN LEU 68 -1.824 3.580 -1.760 545 HA LEU 68 HA LEU 68 0.321 2.198 -0.355 546 HB2 LEU 68 2HB LEU 68 0.226 3.392 -3.126 547 HB3 LEU 68 1HB LEU 68 1.564 2.470 -2.468 548 HG LEU 68 HG LEU 68 -1.218 1.394 -2.940 549 HD11 LEU 68 1HD1 LEU 68 -0.165 0.118 -4.755 550 HD12 LEU 68 2HD1 LEU 68 1.345 0.989 -4.478 551 HD13 LEU 68 3HD1 LEU 68 -0.087 1.858 -5.033 552 HD21 LEU 68 3HD2 LEU 68 -0.102 0.281 -1.087 553 HD22 LEU 68 1HD2 LEU 68 1.330 0.021 -2.084 554 HD23 LEU 68 2HD2 LEU 68 -0.185 -0.787 -2.488 555 H ILE 69 HN ILE 69 -0.798 5.363 -0.947 556 HA ILE 69 HA ILE 69 1.812 6.606 -0.597 557 HB ILE 69 HB ILE 69 -0.892 7.903 -0.984 558 HG12 ILE 69 2HG1 ILE 69 -0.225 6.553 -2.925 559 HG13 ILE 69 1HG1 ILE 69 -0.179 8.270 -3.303 560 HG21 ILE 69 1HG2 ILE 69 1.885 9.060 -1.107 561 HG22 ILE 69 2HG2 ILE 69 0.664 9.386 0.122 562 HG23 ILE 69 3HG2 ILE 69 0.406 9.918 -1.539 563 HD11 ILE 69 3HD1 ILE 69 1.724 7.126 -4.262 564 HD12 ILE 69 1HD1 ILE 69 2.191 6.525 -2.673 565 HD13 ILE 69 2HD1 ILE 69 2.255 8.252 -3.014 566 H GLU 70 HN GLU 70 -1.362 6.574 1.009 567 HA GLU 70 HA GLU 70 -0.294 8.028 3.270 568 HB2 GLU 70 2HB GLU 70 -3.052 6.957 2.677 569 HB3 GLU 70 1HB GLU 70 -2.629 7.943 4.059 570 HG2 GLU 70 2HG GLU 70 -2.533 8.762 1.173 571 HG3 GLU 70 1HG GLU 70 -3.686 9.303 2.392 572 H ASP 71 HN ASP 71 -0.727 7.219 5.474 573 HA ASP 71 HA ASP 71 0.090 4.455 5.705 574 HB2 ASP 71 2HB ASP 71 0.948 6.341 7.182 575 HB3 ASP 71 1HB ASP 71 -0.638 6.355 7.946 576 H LYS 72 HN LYS 72 -1.076 2.931 7.092 577 HA LYS 72 HA LYS 72 -3.890 2.970 6.407 578 HB2 LYS 72 2HB LYS 72 -3.829 0.638 7.425 579 HB3 LYS 72 1HB LYS 72 -2.864 0.898 5.981 580 HG2 LYS 72 2HG LYS 72 -0.882 1.235 7.511 581 HG3 LYS 72 1HG LYS 72 -1.914 0.662 8.823 582 HD2 LYS 72 2HD LYS 72 -2.232 -1.447 7.721 583 HD3 LYS 72 1HD LYS 72 -1.375 -0.877 6.289 584 HE2 LYS 72 2HE LYS 72 -0.194 -1.275 9.035 585 HE3 LYS 72 1HE LYS 72 0.037 -2.328 7.642 586 HZ1 LYS 72 3HZ LYS 72 1.050 0.433 8.037 587 HZ2 LYS 72 1HZ LYS 72 0.995 -0.293 6.502 588 HZ3 LYS 72 2HZ LYS 72 1.929 -0.978 7.736 589 H LYS 73 HN LYS 73 -2.430 4.516 8.678 590 HA LYS 73 HA LYS 73 -4.069 3.791 10.970 591 HB2 LYS 73 2HB LYS 73 -1.537 4.807 10.708 592 HB3 LYS 73 1HB LYS 73 -2.466 6.260 11.046 593 HG2 LYS 73 2HG LYS 73 -3.392 5.086 13.048 594 HG3 LYS 73 1HG LYS 73 -2.217 3.802 12.751 595 HD2 LYS 73 2HD LYS 73 -1.661 6.700 13.381 596 HD3 LYS 73 1HD LYS 73 -1.281 5.297 14.378 597 HE2 LYS 73 2HE LYS 73 -0.072 5.925 11.679 598 HE3 LYS 73 1HE LYS 73 0.705 6.181 13.240 599 HZ1 LYS 73 3HZ LYS 73 -0.149 3.540 12.170 600 HZ2 LYS 73 1HZ LYS 73 0.656 3.812 13.639 601 HZ3 LYS 73 2HZ LYS 73 1.437 4.132 12.165 602 H LEU 74 HN LEU 74 -5.181 4.936 8.416 603 HA LEU 74 HA LEU 74 -5.826 7.668 8.928 604 HB2 LEU 74 2HB LEU 74 -6.627 5.723 6.782 605 HB3 LEU 74 1HB LEU 74 -7.259 7.348 6.864 606 HG LEU 74 HG LEU 74 -4.364 6.597 6.501 607 HD11 LEU 74 1HD1 LEU 74 -5.724 6.180 4.520 608 HD12 LEU 74 2HD1 LEU 74 -4.660 7.563 4.267 609 HD13 LEU 74 3HD1 LEU 74 -6.370 7.818 4.607 610 HD21 LEU 74 3HD2 LEU 74 -4.612 8.663 7.792 611 HD22 LEU 74 1HD2 LEU 74 -5.675 9.314 6.543 612 HD23 LEU 74 2HD2 LEU 74 -3.980 8.985 6.177 613 H ASN 75 HN ASN 75 -6.931 7.494 10.891 614 HA ASN 75 HA ASN 75 -9.542 6.324 11.002 615 HB2 ASN 75 2HB ASN 75 -8.154 8.395 12.709 616 HB3 ASN 75 1HB ASN 75 -9.839 7.949 12.968 617 HD21 ASN 75 1HD2 ASN 75 -9.559 7.054 14.947 618 HD22 ASN 75 2HD2 ASN 75 -8.681 5.578 15.213 619 H ILE 76 HN ILE 76 -10.966 6.953 9.528 620 HA ILE 76 HA ILE 76 -10.924 9.533 8.306 621 HB ILE 76 HB ILE 76 -13.068 7.405 8.196 622 HG12 ILE 76 2HG1 ILE 76 -10.927 6.555 7.409 623 HG13 ILE 76 1HG1 ILE 76 -12.025 6.780 6.049 624 HG21 ILE 76 1HG2 ILE 76 -12.590 9.766 6.382 625 HG22 ILE 76 2HG2 ILE 76 -13.932 9.579 7.515 626 HG23 ILE 76 3HG2 ILE 76 -13.791 8.497 6.125 627 HD11 ILE 76 3HD1 ILE 76 -9.798 8.638 6.856 628 HD12 ILE 76 1HD1 ILE 76 -10.896 8.872 5.493 629 HD13 ILE 76 2HD1 ILE 76 -9.778 7.507 5.502 630 H ASP 77 HN ASP 77 -12.056 11.318 8.747 631 HA ASP 77 HA ASP 77 -13.819 11.275 11.090 632 HB2 ASP 77 2HB ASP 77 -12.169 13.496 9.883 633 HB3 ASP 77 1HB ASP 77 -13.419 13.794 11.084 634 H THR 78 HN THR 78 -15.645 10.680 10.082 635 HA THR 78 HA THR 78 -16.728 11.842 7.764 636 HB THR 78 HB THR 78 -18.947 10.955 8.932 637 HG1 THR 78 1HG THR 78 -18.546 9.459 10.521 638 HG21 THR 78 3HG2 THR 78 -17.896 9.996 6.938 639 HG22 THR 78 1HG2 THR 78 -18.455 8.731 8.036 640 HG23 THR 78 2HG2 THR 78 -16.742 9.139 7.958 641 H VAL 79 HN VAL 79 -16.872 14.009 7.720 642 HA VAL 79 HA VAL 79 -18.587 15.288 9.743 643 HB VAL 79 HB VAL 79 -16.322 16.628 8.246 644 HG11 VAL 79 1HG1 VAL 79 -18.086 17.646 10.473 645 HG12 VAL 79 2HG1 VAL 79 -18.148 18.150 8.782 646 HG13 VAL 79 3HG1 VAL 79 -16.722 18.507 9.754 647 HG21 VAL 79 3HG2 VAL 79 -15.177 16.718 10.419 648 HG22 VAL 79 1HG2 VAL 79 -15.440 15.060 9.879 649 HG23 VAL 79 2HG2 VAL 79 -16.472 15.753 11.128 650 HA PRO 80 HA PRO 80 -20.678 15.653 5.677 651 HB2 PRO 80 2HB PRO 80 -23.192 15.492 6.641 652 HB3 PRO 80 1HB PRO 80 -22.189 14.060 6.373 653 HG2 PRO 80 2HG PRO 80 -22.755 15.530 8.916 654 HG3 PRO 80 1HG PRO 80 -22.699 13.782 8.624 655 HD2 PRO 80 2HD PRO 80 -20.646 15.182 9.745 656 HD3 PRO 80 1HD PRO 80 -20.409 13.707 8.790 657 H ILE 81 HN ILE 81 -22.604 17.137 5.069 658 HA ILE 81 HA ILE 81 -22.486 19.616 6.634 659 HB ILE 81 HB ILE 81 -21.092 19.986 4.717 660 HG12 ILE 81 2HG1 ILE 81 -23.775 21.301 4.259 661 HG13 ILE 81 1HG1 ILE 81 -22.575 21.826 5.434 662 HG21 ILE 81 1HG2 ILE 81 -21.914 18.220 3.270 663 HG22 ILE 81 2HG2 ILE 81 -21.911 19.764 2.417 664 HG23 ILE 81 3HG2 ILE 81 -23.426 19.098 3.031 665 HD11 ILE 81 3HD1 ILE 81 -21.013 22.315 3.629 666 HD12 ILE 81 1HD1 ILE 81 -22.526 23.197 3.426 667 HD13 ILE 81 2HD1 ILE 81 -22.201 21.768 2.449 668 H GLU 82 HN GLU 82 -24.366 20.586 7.001 669 HA GLU 82 HA GLU 82 -26.778 19.162 6.292 670 HB2 GLU 82 2HB GLU 82 -26.184 20.262 8.565 671 HB3 GLU 82 1HB GLU 82 -26.661 21.767 7.800 672 HG2 GLU 82 2HG GLU 82 -28.524 19.435 7.786 673 HG3 GLU 82 1HG GLU 82 -28.358 20.429 9.230 674 H SER 83 HN SER 83 -27.155 19.457 4.147 675 HA SER 83 HA SER 83 -27.468 22.226 3.200 676 HB2 SER 83 2HB SER 83 -26.833 19.742 1.583 677 HB3 SER 83 1HB SER 83 -26.993 21.381 0.943 678 HG SER 83 HG SER 83 -25.272 21.589 2.872 679 H GLY 84 HN GLY 84 -29.151 22.548 1.551 680 HA2 GLY 84 2HA GLY 84 -31.547 21.082 2.382 681 HA3 GLY 84 1HA GLY 84 -31.513 22.670 1.632 682 H TYR 85 HN TYR 85 -32.287 22.699 -0.352 683 HA TYR 85 HA TYR 85 -32.168 20.203 -1.923 684 HB2 TYR 85 2HB TYR 85 -34.258 22.389 -2.062 685 HB3 TYR 85 1HB TYR 85 -34.259 20.890 -2.983 686 HD1 TYR 85 2HD TYR 85 -34.560 18.713 -1.747 687 HD2 TYR 85 1HD TYR 85 -35.181 22.496 0.097 688 HE1 TYR 85 2HE TYR 85 -35.885 17.631 0.017 689 HE2 TYR 85 1HE TYR 85 -36.510 21.425 1.864 690 HH TYR 85 HH TYR 85 -37.821 19.404 2.199 691 H THR 86 HN THR 86 -32.682 20.813 -4.340 692 HA THR 86 HA THR 86 -30.992 23.089 -5.124 693 HB THR 86 HB THR 86 -30.123 20.877 -5.859 694 HG1 THR 86 1HG THR 86 -29.737 22.699 -7.198 695 HG21 THR 86 3HG2 THR 86 -32.708 20.704 -7.415 696 HG22 THR 86 1HG2 THR 86 -32.235 19.676 -6.062 697 HG23 THR 86 2HG2 THR 86 -31.338 19.607 -7.578 698 H LEU 87 HN LEU 87 -31.745 23.786 -7.507 699 HA LEU 87 HA LEU 87 -34.572 24.426 -7.235 700 HB2 LEU 87 2HB LEU 87 -32.492 25.443 -9.169 701 HB3 LEU 87 1HB LEU 87 -34.162 25.972 -9.138 702 HG LEU 87 HG LEU 87 -32.109 26.383 -6.967 703 HD11 LEU 87 1HD1 LEU 87 -31.828 27.842 -8.891 704 HD12 LEU 87 2HD1 LEU 87 -32.413 28.749 -7.496 705 HD13 LEU 87 3HD1 LEU 87 -33.524 28.315 -8.797 706 HD21 LEU 87 3HD2 LEU 87 -33.835 27.649 -5.803 707 HD22 LEU 87 1HD2 LEU 87 -34.317 25.967 -6.009 708 HD23 LEU 87 2HD2 LEU 87 -35.008 27.214 -7.046 709 H GLU 88 HN GLU 88 -36.141 23.738 -8.582 710 HA GLU 88 HA GLU 88 -35.555 21.376 -10.131 711 HB2 GLU 88 2HB GLU 88 -38.194 22.815 -9.864 712 HB3 GLU 88 1HB GLU 88 -37.936 21.157 -10.377 713 HG2 GLU 88 2HG GLU 88 -37.177 20.576 -8.137 714 HG3 GLU 88 1HG GLU 88 -37.427 22.247 -7.622 715 H HIS 89 HN HIS 89 -36.645 21.123 -12.279 716 HA HIS 89 HA HIS 89 -36.723 23.616 -13.835 717 HB2 HIS 89 2HB HIS 89 -36.831 20.747 -14.816 718 HB3 HIS 89 1HB HIS 89 -36.746 22.187 -15.826 719 HD1 HIS 89 1HD HIS 89 -34.667 20.087 -13.498 720 HD2 HIS 89 2HD HIS 89 -34.208 23.242 -16.170 721 HE1 HIS 89 1HE HIS 89 -32.182 20.408 -13.754 722 HE2 HIS 89 2HE HIS 89 -31.934 22.209 -15.502 723 H HIS 90 HN HIS 90 -38.651 24.346 -12.935 724 HA HIS 90 HA HIS 90 -40.798 22.496 -12.422 725 HB2 HIS 90 2HB HIS 90 -39.987 24.521 -11.003 726 HB3 HIS 90 1HB HIS 90 -40.991 25.472 -12.087 727 HD1 HIS 90 1HD HIS 90 -41.164 23.005 -9.289 728 HD2 HIS 90 2HD HIS 90 -43.758 25.129 -11.763 729 HE1 HIS 90 1HE HIS 90 -43.435 22.818 -8.224 730 HE2 HIS 90 2HE HIS 90 -44.957 24.236 -9.650 731 H HIS 91 HN HIS 91 -40.489 22.404 -15.046 732 HA HIS 91 HA HIS 91 -41.672 22.348 -16.958 733 HB2 HIS 91 2HB HIS 91 -43.834 23.167 -15.052 734 HB3 HIS 91 1HB HIS 91 -44.158 23.050 -16.778 735 HD1 HIS 91 1HD HIS 91 -44.544 20.762 -17.730 736 HD2 HIS 91 2HD HIS 91 -43.085 20.664 -13.836 737 HE1 HIS 91 1HE HIS 91 -44.693 18.357 -17.010 738 HE2 HIS 91 2HE HIS 91 -43.651 18.296 -14.713 739 H HIS 92 HN HIS 92 -43.482 23.837 -18.188 740 HA HIS 92 HA HIS 92 -42.591 26.602 -18.191 741 HB2 HIS 92 2HB HIS 92 -42.427 26.176 -20.860 742 HB3 HIS 92 1HB HIS 92 -41.036 26.141 -19.790 743 HD1 HIS 92 1HD HIS 92 -42.916 24.075 -22.175 744 HD2 HIS 92 2HD HIS 92 -40.180 23.462 -19.106 745 HE1 HIS 92 1HE HIS 92 -42.046 21.749 -22.500 746 HE2 HIS 92 2HE HIS 92 -40.218 21.500 -20.783 747 H HIS 93 HN HIS 93 -43.864 27.819 -19.993 748 HA HIS 93 HA HIS 93 -46.661 27.039 -19.641 749 HB2 HIS 93 2HB HIS 93 -45.315 29.592 -20.496 750 HB3 HIS 93 1HB HIS 93 -47.049 29.353 -20.693 751 HD1 HIS 93 1HD HIS 93 -44.461 30.151 -18.165 752 HD2 HIS 93 2HD HIS 93 -48.500 29.143 -18.240 753 HE1 HIS 93 1HE HIS 93 -45.346 30.719 -15.878 754 HE2 HIS 93 2HE HIS 93 -47.774 30.043 -15.922 755 H HIS 94 HN HIS 94 -44.523 26.068 -21.619 756 HA HIS 94 HA HIS 94 -46.336 25.306 -23.635 757 HB2 HIS 94 2HB HIS 94 -45.919 27.534 -24.547 758 HB3 HIS 94 1HB HIS 94 -44.181 27.284 -24.439 759 HD1 HIS 94 1HD HIS 94 -47.058 25.389 -26.097 760 HD2 HIS 94 2HD HIS 94 -43.194 26.719 -26.874 761 HE1 HIS 94 1HE HIS 94 -46.552 24.669 -28.456 762 HE2 HIS 94 2HE HIS 94 -44.303 25.688 -28.971 Start of MODEL 13 1 H1 MET 1 H1 MET 1 18.922 15.531 7.600 2 H2 MET 1 H2 MET 1 17.937 16.873 7.940 3 H3 MET 1 H3 MET 1 18.489 16.609 6.365 4 HA MET 1 HA MET 1 16.633 14.858 7.863 5 HB2 MET 1 2HB MET 1 15.649 17.015 7.123 6 HB3 MET 1 1HB MET 1 16.154 16.660 5.477 7 HG2 MET 1 2HG MET 1 14.678 14.719 5.437 8 HG3 MET 1 1HG MET 1 14.189 15.055 7.097 9 HE1 MET 1 2HE MET 1 12.049 14.652 4.866 10 HE2 MET 1 3HE MET 1 10.957 16.009 5.142 11 HE3 MET 1 1HE MET 1 11.626 15.114 6.510 12 H VAL 2 HN VAL 2 17.258 12.842 7.358 13 HA VAL 2 HA VAL 2 17.348 12.104 4.545 14 HB VAL 2 HB VAL 2 19.719 12.606 5.287 15 HG11 VAL 2 1HG1 VAL 2 19.621 11.776 7.546 16 HG12 VAL 2 2HG1 VAL 2 20.860 10.899 6.644 17 HG13 VAL 2 3HG1 VAL 2 19.299 10.142 6.965 18 HG21 VAL 2 3HG2 VAL 2 19.091 9.811 4.347 19 HG22 VAL 2 1HG2 VAL 2 20.674 10.585 4.248 20 HG23 VAL 2 2HG2 VAL 2 19.311 11.244 3.343 21 H LYS 3 HN LYS 3 17.314 9.702 4.297 22 HA LYS 3 HA LYS 3 16.357 7.687 4.664 23 HB2 LYS 3 2HB LYS 3 17.840 7.756 6.735 24 HB3 LYS 3 1HB LYS 3 16.415 8.271 7.621 25 HG2 LYS 3 2HG LYS 3 16.840 5.869 7.839 26 HG3 LYS 3 1HG LYS 3 15.282 6.206 7.078 27 HD2 LYS 3 2HD LYS 3 16.094 5.620 4.937 28 HD3 LYS 3 1HD LYS 3 17.772 5.656 5.477 29 HE2 LYS 3 2HE LYS 3 15.726 3.703 6.512 30 HE3 LYS 3 1HE LYS 3 16.798 3.366 5.153 31 HZ1 LYS 3 3HZ LYS 3 17.741 2.476 7.161 32 HZ2 LYS 3 1HZ LYS 3 17.630 3.980 7.942 33 HZ3 LYS 3 2HZ LYS 3 18.693 3.771 6.637 34 H ASP 4 HN ASP 4 14.497 8.270 3.676 35 HA ASP 4 HA ASP 4 12.561 9.985 4.835 36 HB2 ASP 4 2HB ASP 4 12.187 8.158 2.460 37 HB3 ASP 4 1HB ASP 4 11.304 9.638 2.821 38 H LYS 5 HN LYS 5 10.874 9.559 6.036 39 HA LYS 5 HA LYS 5 10.383 6.979 7.100 40 HB2 LYS 5 2HB LYS 5 10.007 9.067 8.357 41 HB3 LYS 5 1HB LYS 5 8.714 9.495 7.246 42 HG2 LYS 5 2HG LYS 5 7.459 7.507 7.970 43 HG3 LYS 5 1HG LYS 5 8.745 7.144 9.124 44 HD2 LYS 5 2HD LYS 5 7.076 9.660 9.080 45 HD3 LYS 5 1HD LYS 5 6.878 8.311 10.202 46 HE2 LYS 5 2HE LYS 5 9.081 8.708 11.115 47 HE3 LYS 5 1HE LYS 5 9.381 9.971 9.926 48 HZ1 LYS 5 3HZ LYS 5 8.741 10.825 12.124 49 HZ2 LYS 5 1HZ LYS 5 7.227 10.080 11.959 50 HZ3 LYS 5 2HZ LYS 5 7.682 11.316 10.893 51 H GLN 6 HN GLN 6 8.769 8.986 4.673 52 HA GLN 6 HA GLN 6 6.418 7.435 4.488 53 HB2 GLN 6 2HB GLN 6 6.593 9.756 3.675 54 HB3 GLN 6 1HB GLN 6 7.657 9.217 2.385 55 HG2 GLN 6 2HG GLN 6 5.375 9.569 1.597 56 HG3 GLN 6 1HG GLN 6 5.875 7.887 1.423 57 HE21 GLN 6 1HE2 GLN 6 3.793 7.107 1.395 58 HE22 GLN 6 2HE2 GLN 6 2.774 7.085 2.789 59 H LYS 7 HN LYS 7 9.530 7.175 2.893 60 HA LYS 7 HA LYS 7 8.746 5.280 0.939 61 HB2 LYS 7 2HB LYS 7 11.363 6.129 2.120 62 HB3 LYS 7 1HB LYS 7 11.296 4.718 1.070 63 HG2 LYS 7 2HG LYS 7 10.749 5.945 -0.786 64 HG3 LYS 7 1HG LYS 7 10.037 7.255 0.156 65 HD2 LYS 7 2HD LYS 7 12.147 7.914 -0.915 66 HD3 LYS 7 1HD LYS 7 12.239 8.000 0.841 67 HE2 LYS 7 2HE LYS 7 13.390 5.821 0.858 68 HE3 LYS 7 1HE LYS 7 13.330 5.794 -0.904 69 HZ1 LYS 7 3HZ LYS 7 14.678 7.783 -0.962 70 HZ2 LYS 7 1HZ LYS 7 15.470 6.585 -0.061 71 HZ3 LYS 7 2HZ LYS 7 14.694 7.874 0.728 72 H ALA 8 HN ALA 8 9.761 5.009 4.282 73 HA ALA 8 HA ALA 8 9.842 2.145 4.287 74 HB1 ALA 8 1HB ALA 8 9.998 2.349 6.707 75 HB2 ALA 8 2HB ALA 8 9.587 4.062 6.603 76 HB3 ALA 8 3HB ALA 8 11.102 3.475 5.918 77 H ILE 9 HN ILE 9 7.456 4.618 5.050 78 HA ILE 9 HA ILE 9 5.464 2.947 6.122 79 HB ILE 9 HB ILE 9 5.241 5.585 4.671 80 HG12 ILE 9 2HG1 ILE 9 5.089 4.866 7.610 81 HG13 ILE 9 1HG1 ILE 9 6.466 5.619 6.811 82 HG21 ILE 9 1HG2 ILE 9 2.972 5.743 5.605 83 HG22 ILE 9 2HG2 ILE 9 3.112 4.083 6.186 84 HG23 ILE 9 3HG2 ILE 9 3.132 4.416 4.454 85 HD11 ILE 9 3HD1 ILE 9 3.723 6.828 7.111 86 HD12 ILE 9 1HD1 ILE 9 5.102 7.584 6.312 87 HD13 ILE 9 2HD1 ILE 9 5.160 7.252 8.043 88 H PHE 10 HN PHE 10 5.957 4.122 2.798 89 HA PHE 10 HA PHE 10 3.760 2.853 1.630 90 HB2 PHE 10 2HB PHE 10 4.982 4.578 0.450 91 HB3 PHE 10 1HB PHE 10 6.436 3.587 0.428 92 HD1 PHE 10 1HD PHE 10 2.951 3.755 -0.825 93 HD2 PHE 10 2HD PHE 10 6.835 2.095 -1.321 94 HE1 PHE 10 1HE PHE 10 2.262 2.803 -2.987 95 HE2 PHE 10 2HE PHE 10 6.156 1.136 -3.482 96 HZ PHE 10 HZ PHE 10 3.867 1.491 -4.320 97 H SER 11 HN SER 11 7.141 1.750 1.851 98 HA SER 11 HA SER 11 6.731 -0.694 0.532 99 HB2 SER 11 2HB SER 11 8.886 -1.367 1.697 100 HB3 SER 11 1HB SER 11 8.968 0.104 0.729 101 HG SER 11 HG SER 11 9.231 1.273 2.484 102 H GLU 12 HN GLU 12 6.463 0.223 3.924 103 HA GLU 12 HA GLU 12 6.242 -2.325 5.062 104 HB2 GLU 12 2HB GLU 12 6.444 -0.061 6.237 105 HB3 GLU 12 1HB GLU 12 4.707 0.092 6.011 106 HG2 GLU 12 2HG GLU 12 5.003 -0.728 8.189 107 HG3 GLU 12 1HG GLU 12 4.487 -2.112 7.223 108 H ASN 13 HN ASN 13 3.688 -0.104 3.958 109 HA ASN 13 HA ASN 13 1.564 -1.893 4.532 110 HB2 ASN 13 2HB ASN 13 1.757 0.656 2.947 111 HB3 ASN 13 1HB ASN 13 0.270 -0.290 2.941 112 HD21 ASN 13 1HD2 ASN 13 2.418 1.669 4.832 113 HD22 ASN 13 2HD2 ASN 13 1.371 1.875 6.199 114 H LEU 14 HN LEU 14 3.308 -1.108 1.546 115 HA LEU 14 HA LEU 14 1.788 -2.727 -0.182 116 HB2 LEU 14 2HB LEU 14 3.391 -1.041 -0.970 117 HB3 LEU 14 1HB LEU 14 4.716 -1.996 -0.333 118 HG LEU 14 HG LEU 14 4.137 -3.803 -1.944 119 HD11 LEU 14 1HD1 LEU 14 2.227 -1.749 -3.052 120 HD12 LEU 14 2HD1 LEU 14 1.775 -3.250 -2.243 121 HD13 LEU 14 3HD1 LEU 14 2.625 -3.303 -3.788 122 HD21 LEU 14 3HD2 LEU 14 5.891 -2.219 -2.472 123 HD22 LEU 14 1HD2 LEU 14 4.705 -1.088 -3.121 124 HD23 LEU 14 2HD2 LEU 14 4.989 -2.627 -3.930 125 H ASN 15 HN ASN 15 4.678 -3.416 1.743 126 HA ASN 15 HA ASN 15 5.069 -6.058 0.806 127 HB2 ASN 15 2HB ASN 15 6.746 -4.589 2.037 128 HB3 ASN 15 1HB ASN 15 5.899 -5.016 3.519 129 HD21 ASN 15 1HD2 ASN 15 7.952 -6.109 0.975 130 HD22 ASN 15 2HD2 ASN 15 8.419 -7.602 1.703 131 H SER 16 HN SER 16 3.140 -4.681 3.388 132 HA SER 16 HA SER 16 2.609 -6.924 4.920 133 HB2 SER 16 2HB SER 16 1.915 -4.657 5.559 134 HB3 SER 16 1HB SER 16 0.727 -4.643 4.256 135 HG SER 16 HG SER 16 0.732 -6.099 6.670 136 H TYR 17 HN TYR 17 0.912 -5.810 1.995 137 HA TYR 17 HA TYR 17 -0.994 -7.924 1.997 138 HB2 TYR 17 2HB TYR 17 -0.031 -6.216 -0.313 139 HB3 TYR 17 1HB TYR 17 -1.457 -7.244 -0.332 140 HD1 TYR 17 2HD TYR 17 -3.320 -6.694 1.367 141 HD2 TYR 17 1HD TYR 17 -0.192 -3.995 0.359 142 HE1 TYR 17 2HE TYR 17 -4.682 -4.818 2.184 143 HE2 TYR 17 1HE TYR 17 -1.544 -2.112 1.171 144 HH TYR 17 HH TYR 17 -3.864 -1.557 1.569 145 H ILE 18 HN ILE 18 2.029 -7.384 0.256 146 HA ILE 18 HA ILE 18 1.885 -9.689 -1.356 147 HB ILE 18 HB ILE 18 4.327 -8.119 -0.521 148 HG12 ILE 18 2HG1 ILE 18 2.594 -7.862 -2.992 149 HG13 ILE 18 1HG1 ILE 18 2.518 -6.783 -1.606 150 HG21 ILE 18 1HG2 ILE 18 5.349 -9.020 -2.557 151 HG22 ILE 18 2HG2 ILE 18 3.900 -9.983 -2.856 152 HG23 ILE 18 3HG2 ILE 18 4.899 -10.311 -1.440 153 HD11 ILE 18 3HD1 ILE 18 4.834 -6.116 -2.007 154 HD12 ILE 18 1HD1 ILE 18 3.802 -5.795 -3.400 155 HD13 ILE 18 2HD1 ILE 18 4.891 -7.181 -3.411 156 H ALA 19 HN ALA 19 3.383 -9.096 1.792 157 HA ALA 19 HA ALA 19 4.685 -11.630 1.932 158 HB1 ALA 19 1HB ALA 19 5.465 -9.682 3.198 159 HB2 ALA 19 2HB ALA 19 5.142 -11.061 4.248 160 HB3 ALA 19 3HB ALA 19 3.993 -9.728 4.167 161 H LYS 20 HN LYS 20 1.531 -10.426 2.920 162 HA LYS 20 HA LYS 20 0.816 -12.741 4.437 163 HB2 LYS 20 2HB LYS 20 -0.332 -10.486 4.570 164 HB3 LYS 20 1HB LYS 20 -1.069 -10.852 3.014 165 HG2 LYS 20 2HG LYS 20 -1.762 -13.069 4.310 166 HG3 LYS 20 1HG LYS 20 -1.627 -11.981 5.691 167 HD2 LYS 20 2HD LYS 20 -3.894 -11.949 4.928 168 HD3 LYS 20 1HD LYS 20 -3.153 -10.404 4.508 169 HE2 LYS 20 2HE LYS 20 -2.874 -11.089 2.226 170 HE3 LYS 20 1HE LYS 20 -3.379 -12.734 2.609 171 HZ1 LYS 20 3HZ LYS 20 -5.579 -11.913 3.127 172 HZ2 LYS 20 1HZ LYS 20 -5.146 -11.461 1.550 173 HZ3 LYS 20 2HZ LYS 20 -5.093 -10.319 2.802 174 H SER 21 HN SER 21 0.444 -11.690 1.120 175 HA SER 21 HA SER 21 -1.301 -13.717 0.252 176 HB2 SER 21 2HB SER 21 -0.871 -11.543 -0.929 177 HB3 SER 21 1HB SER 21 0.694 -12.183 -1.430 178 HG SER 21 HG SER 21 -1.817 -12.699 -2.403 179 H GLU 22 HN GLU 22 -0.870 -15.488 -1.132 180 HA GLU 22 HA GLU 22 1.632 -16.854 -0.462 181 HB2 GLU 22 2HB GLU 22 -0.963 -17.931 -1.593 182 HB3 GLU 22 1HB GLU 22 0.422 -18.899 -1.102 183 HG2 GLU 22 2HG GLU 22 0.094 -18.435 1.166 184 HG3 GLU 22 1HG GLU 22 -0.952 -17.060 0.825 185 H LYS 23 HN LYS 23 1.256 -14.766 -2.535 186 HA LYS 23 HA LYS 23 1.912 -16.291 -4.967 187 HB2 LYS 23 2HB LYS 23 -0.046 -14.593 -4.873 188 HB3 LYS 23 1HB LYS 23 1.208 -13.362 -4.867 189 HG2 LYS 23 2HG LYS 23 0.382 -13.681 -7.104 190 HG3 LYS 23 1HG LYS 23 2.050 -14.247 -7.006 191 HD2 LYS 23 2HD LYS 23 1.358 -16.521 -6.957 192 HD3 LYS 23 1HD LYS 23 -0.332 -16.070 -6.729 193 HE2 LYS 23 2HE LYS 23 -0.376 -15.079 -8.951 194 HE3 LYS 23 1HE LYS 23 1.328 -15.474 -9.176 195 HZ1 LYS 23 3HZ LYS 23 0.828 -17.780 -9.160 196 HZ2 LYS 23 1HZ LYS 23 -0.256 -17.045 -10.239 197 HZ3 LYS 23 2HZ LYS 23 -0.779 -17.512 -8.690 198 H THR 24 HN THR 24 3.753 -15.596 -6.211 199 HA THR 24 HA THR 24 5.906 -14.669 -4.539 200 HB THR 24 HB THR 24 7.235 -14.980 -6.730 201 HG1 THR 24 1HG THR 24 6.223 -16.142 -8.327 202 HG21 THR 24 3HG2 THR 24 7.307 -16.533 -4.844 203 HG22 THR 24 1HG2 THR 24 7.358 -17.391 -6.381 204 HG23 THR 24 2HG2 THR 24 5.859 -17.340 -5.450 205 H GLN 25 HN GLN 25 7.185 -12.866 -4.834 206 HA GLN 25 HA GLN 25 5.945 -10.493 -5.666 207 HB2 GLN 25 2HB GLN 25 8.880 -11.105 -5.264 208 HB3 GLN 25 1HB GLN 25 8.213 -9.491 -5.444 209 HG2 GLN 25 2HG GLN 25 6.947 -9.761 -3.389 210 HG3 GLN 25 1HG GLN 25 7.541 -11.415 -3.227 211 HE21 GLN 25 1HE2 GLN 25 8.355 -8.042 -3.017 212 HE22 GLN 25 2HE2 GLN 25 9.852 -8.249 -2.179 213 H LEU 26 HN LEU 26 8.251 -12.626 -7.242 214 HA LEU 26 HA LEU 26 8.877 -11.130 -9.493 215 HB2 LEU 26 2HB LEU 26 9.520 -13.594 -8.541 216 HB3 LEU 26 1HB LEU 26 8.520 -14.024 -9.916 217 HG LEU 26 HG LEU 26 10.956 -12.252 -10.050 218 HD11 LEU 26 1HD1 LEU 26 12.078 -14.142 -11.067 219 HD12 LEU 26 2HD1 LEU 26 10.629 -15.128 -10.878 220 HD13 LEU 26 3HD1 LEU 26 11.507 -14.569 -9.453 221 HD21 LEU 26 3HD2 LEU 26 9.276 -13.487 -12.229 222 HD22 LEU 26 1HD2 LEU 26 10.764 -12.572 -12.471 223 HD23 LEU 26 2HD2 LEU 26 9.336 -11.776 -11.810 224 H GLU 27 HN GLU 27 6.194 -13.410 -8.988 225 HA GLU 27 HA GLU 27 5.112 -13.376 -11.546 226 HB2 GLU 27 2HB GLU 27 4.567 -14.617 -9.192 227 HB3 GLU 27 1HB GLU 27 3.218 -13.496 -9.285 228 HG2 GLU 27 2HG GLU 27 3.974 -15.431 -11.451 229 HG3 GLU 27 1HG GLU 27 2.770 -15.738 -10.210 230 H ILE 28 HN ILE 28 4.385 -11.337 -8.737 231 HA ILE 28 HA ILE 28 2.387 -9.785 -9.996 232 HB ILE 28 HB ILE 28 4.164 -9.009 -7.674 233 HG12 ILE 28 2HG1 ILE 28 1.429 -10.312 -7.682 234 HG13 ILE 28 1HG1 ILE 28 2.941 -11.131 -7.306 235 HG21 ILE 28 1HG2 ILE 28 3.037 -7.090 -8.657 236 HG22 ILE 28 2HG2 ILE 28 2.344 -7.475 -7.081 237 HG23 ILE 28 3HG2 ILE 28 1.489 -7.930 -8.555 238 HD11 ILE 28 3HD1 ILE 28 3.241 -9.709 -5.356 239 HD12 ILE 28 1HD1 ILE 28 1.696 -10.556 -5.294 240 HD13 ILE 28 2HD1 ILE 28 1.748 -8.851 -5.739 241 H ALA 29 HN ALA 29 5.854 -9.200 -9.439 242 HA ALA 29 HA ALA 29 6.011 -6.629 -10.510 243 HB1 ALA 29 1HB ALA 29 7.803 -7.619 -9.203 244 HB2 ALA 29 2HB ALA 29 8.409 -7.062 -10.763 245 HB3 ALA 29 3HB ALA 29 8.120 -8.782 -10.490 246 H LYS 30 HN LYS 30 6.478 -9.767 -12.108 247 HA LYS 30 HA LYS 30 7.167 -8.718 -14.634 248 HB2 LYS 30 2HB LYS 30 7.547 -11.075 -13.871 249 HB3 LYS 30 1HB LYS 30 5.823 -11.366 -14.057 250 HG2 LYS 30 2HG LYS 30 5.985 -10.879 -16.435 251 HG3 LYS 30 1HG LYS 30 7.711 -10.558 -16.258 252 HD2 LYS 30 2HD LYS 30 8.007 -12.884 -15.447 253 HD3 LYS 30 1HD LYS 30 6.299 -13.180 -15.776 254 HE2 LYS 30 2HE LYS 30 6.661 -12.650 -18.134 255 HE3 LYS 30 1HE LYS 30 8.366 -12.348 -17.811 256 HZ1 LYS 30 3HZ LYS 30 8.509 -14.691 -17.030 257 HZ2 LYS 30 1HZ LYS 30 8.154 -14.521 -18.684 258 HZ3 LYS 30 2HZ LYS 30 6.921 -14.928 -17.592 259 H SER 31 HN SER 31 4.084 -9.595 -13.179 260 HA SER 31 HA SER 31 2.509 -9.228 -15.501 261 HB2 SER 31 2HB SER 31 1.710 -9.072 -12.587 262 HB3 SER 31 1HB SER 31 0.601 -9.239 -13.948 263 HG SER 31 HG SER 31 2.447 -11.100 -12.905 264 H ILE 32 HN ILE 32 3.544 -7.069 -12.911 265 HA ILE 32 HA ILE 32 2.035 -4.807 -13.700 266 HB ILE 32 HB ILE 32 4.735 -4.908 -12.334 267 HG12 ILE 32 2HG1 ILE 32 3.049 -6.070 -11.040 268 HG13 ILE 32 1HG1 ILE 32 3.433 -4.538 -10.264 269 HG21 ILE 32 1HG2 ILE 32 2.761 -2.638 -12.536 270 HG22 ILE 32 2HG2 ILE 32 4.340 -2.721 -13.316 271 HG23 ILE 32 3HG2 ILE 32 4.228 -2.639 -11.559 272 HD11 ILE 32 3HD1 ILE 32 1.047 -5.006 -10.212 273 HD12 ILE 32 1HD1 ILE 32 1.018 -5.083 -11.974 274 HD13 ILE 32 2HD1 ILE 32 1.397 -3.563 -11.164 275 H GLY 33 HN GLY 33 5.253 -5.979 -14.540 276 HA2 GLY 33 2HA GLY 33 5.871 -5.766 -16.922 277 HA3 GLY 33 1HA GLY 33 5.237 -4.125 -16.842 278 H VAL 34 HN VAL 34 6.951 -5.242 -14.089 279 HA VAL 34 HA VAL 34 9.311 -3.700 -14.950 280 HB VAL 34 HB VAL 34 9.665 -3.066 -12.589 281 HG11 VAL 34 1HG1 VAL 34 8.502 -1.541 -14.103 282 HG12 VAL 34 2HG1 VAL 34 7.900 -1.390 -12.451 283 HG13 VAL 34 3HG1 VAL 34 6.959 -2.272 -13.656 284 HG21 VAL 34 3HG2 VAL 34 7.825 -3.350 -10.970 285 HG22 VAL 34 1HG2 VAL 34 8.512 -4.891 -11.485 286 HG23 VAL 34 2HG2 VAL 34 6.970 -4.350 -12.144 287 H SER 35 HN SER 35 11.332 -4.340 -13.943 288 HA SER 35 HA SER 35 11.656 -7.170 -13.833 289 HB2 SER 35 2HB SER 35 13.594 -4.942 -13.141 290 HB3 SER 35 1HB SER 35 14.022 -6.636 -13.381 291 HG SER 35 HG SER 35 14.195 -6.159 -15.409 292 HA PRO 36 HA PRO 36 11.006 -7.954 -9.500 293 HB2 PRO 36 2HB PRO 36 13.057 -9.787 -9.117 294 HB3 PRO 36 1HB PRO 36 11.445 -10.177 -9.723 295 HG2 PRO 36 2HG PRO 36 13.985 -9.737 -11.231 296 HG3 PRO 36 1HG PRO 36 12.693 -10.916 -11.525 297 HD2 PRO 36 2HD PRO 36 12.923 -8.700 -13.015 298 HD3 PRO 36 1HD PRO 36 11.336 -9.359 -12.572 299 H GLN 37 HN GLN 37 14.140 -7.156 -10.786 300 HA GLN 37 HA GLN 37 15.492 -6.500 -8.412 301 HB2 GLN 37 2HB GLN 37 15.809 -5.270 -11.158 302 HB3 GLN 37 1HB GLN 37 16.995 -5.233 -9.860 303 HG2 GLN 37 2HG GLN 37 17.416 -7.545 -10.040 304 HG3 GLN 37 1HG GLN 37 15.991 -7.797 -11.048 305 HE21 GLN 37 1HE2 GLN 37 19.270 -6.656 -10.961 306 HE22 GLN 37 2HE2 GLN 37 19.488 -6.566 -12.671 307 H THR 38 HN THR 38 13.454 -4.587 -10.591 308 HA THR 38 HA THR 38 13.754 -2.134 -9.171 309 HB THR 38 HB THR 38 11.514 -2.962 -11.035 310 HG1 THR 38 1HG THR 38 14.071 -1.800 -11.581 311 HG21 THR 38 3HG2 THR 38 12.603 -0.243 -10.299 312 HG22 THR 38 1HG2 THR 38 11.057 -0.915 -9.779 313 HG23 THR 38 2HG2 THR 38 11.336 -0.557 -11.486 314 H PHE 39 HN PHE 39 11.421 -4.764 -9.183 315 HA PHE 39 HA PHE 39 9.543 -3.662 -7.399 316 HB2 PHE 39 2HB PHE 39 9.376 -5.746 -8.907 317 HB3 PHE 39 1HB PHE 39 10.196 -6.597 -7.604 318 HD1 PHE 39 2HD PHE 39 7.143 -4.749 -8.508 319 HD2 PHE 39 1HD PHE 39 9.042 -7.254 -5.641 320 HE1 PHE 39 2HE PHE 39 4.980 -5.101 -7.392 321 HE2 PHE 39 1HE PHE 39 6.882 -7.612 -4.520 322 HZ PHE 39 HZ PHE 39 4.846 -6.533 -5.395 323 H ASN 40 HN ASN 40 12.546 -5.413 -6.943 324 HA ASN 40 HA ASN 40 12.303 -5.882 -4.171 325 HB2 ASN 40 2HB ASN 40 13.902 -7.110 -5.554 326 HB3 ASN 40 1HB ASN 40 14.786 -5.624 -5.884 327 HD21 ASN 40 1HD2 ASN 40 16.226 -4.872 -4.412 328 HD22 ASN 40 2HD2 ASN 40 16.634 -5.705 -2.952 329 H THR 41 HN THR 41 13.679 -3.177 -6.021 330 HA THR 41 HA THR 41 14.701 -1.838 -3.734 331 HB THR 41 HB THR 41 14.800 0.191 -5.165 332 HG1 THR 41 1HG THR 41 13.071 -1.281 -6.701 333 HG21 THR 41 3HG2 THR 41 15.859 -2.310 -6.479 334 HG22 THR 41 1HG2 THR 41 16.632 -1.439 -5.152 335 HG23 THR 41 2HG2 THR 41 16.457 -0.668 -6.730 336 H TRP 42 HN TRP 42 11.543 -2.068 -5.135 337 HA TRP 42 HA TRP 42 10.401 0.109 -3.651 338 HB2 TRP 42 2HB TRP 42 9.101 -2.296 -4.963 339 HB3 TRP 42 1HB TRP 42 8.223 -0.950 -4.249 340 HD1 TRP 42 1HD TRP 42 10.649 1.056 -5.693 341 HE1 TRP 42 1HE TRP 42 10.151 1.725 -8.131 342 HE3 TRP 42 3HE TRP 42 7.187 -2.529 -6.819 343 HZ2 TRP 42 2HZ TRP 42 8.485 0.850 -10.247 344 HZ3 TRP 42 3HZ TRP 42 6.184 -2.545 -9.066 345 HH2 TRP 42 2HH TRP 42 6.826 -0.892 -10.746 346 H CYS 43 HN CYS 43 10.578 -3.397 -3.310 347 HA CYS 43 HA CYS 43 9.123 -3.656 -0.924 348 HB2 CYS 43 2HB CYS 43 9.613 -5.556 -2.364 349 HB3 CYS 43 1HB CYS 43 11.338 -5.376 -2.058 350 HG CYS 43 HG CYS 43 10.450 -5.694 0.873 351 H LYS 44 HN LYS 44 12.464 -2.823 -1.514 352 HA LYS 44 HA LYS 44 13.184 -3.075 1.266 353 HB2 LYS 44 2HB LYS 44 14.625 -2.195 -1.219 354 HB3 LYS 44 1HB LYS 44 15.341 -2.025 0.367 355 HG2 LYS 44 2HG LYS 44 14.422 -4.633 -0.822 356 HG3 LYS 44 1HG LYS 44 16.085 -4.045 -0.835 357 HD2 LYS 44 2HD LYS 44 16.137 -5.398 1.020 358 HD3 LYS 44 1HD LYS 44 15.694 -3.861 1.763 359 HE2 LYS 44 2HE LYS 44 13.281 -4.588 1.502 360 HE3 LYS 44 1HE LYS 44 13.907 -6.193 1.111 361 HZ1 LYS 44 3HZ LYS 44 14.144 -4.698 3.654 362 HZ2 LYS 44 1HZ LYS 44 15.152 -6.019 3.299 363 HZ3 LYS 44 2HZ LYS 44 13.474 -6.235 3.394 364 H GLY 45 HN GLY 45 11.465 -0.832 -0.431 365 HA2 GLY 45 2HA GLY 45 10.797 1.311 0.073 366 HA3 GLY 45 1HA GLY 45 11.636 1.143 1.606 367 H ILE 46 HN ILE 46 13.353 0.705 -1.376 368 HA ILE 46 HA ILE 46 15.158 2.847 -0.710 369 HB ILE 46 HB ILE 46 15.065 1.083 -3.172 370 HG12 ILE 46 2HG1 ILE 46 16.762 0.861 -0.674 371 HG13 ILE 46 1HG1 ILE 46 15.390 -0.170 -1.067 372 HG21 ILE 46 1HG2 ILE 46 17.409 1.767 -3.492 373 HG22 ILE 46 2HG2 ILE 46 17.245 2.892 -2.146 374 HG23 ILE 46 3HG2 ILE 46 16.290 3.124 -3.608 375 HD11 ILE 46 3HD1 ILE 46 17.952 0.038 -2.629 376 HD12 ILE 46 1HD1 ILE 46 16.579 -0.990 -3.037 377 HD13 ILE 46 2HD1 ILE 46 17.489 -1.282 -1.551 378 H ALA 47 HN ALA 47 12.632 2.243 -3.071 379 HA ALA 47 HA ALA 47 12.483 5.093 -3.625 380 HB1 ALA 47 1HB ALA 47 12.817 3.074 -5.846 381 HB2 ALA 47 2HB ALA 47 14.032 4.245 -5.332 382 HB3 ALA 47 3HB ALA 47 12.518 4.801 -6.044 383 H ILE 48 HN ILE 48 10.463 5.728 -4.414 384 HA ILE 48 HA ILE 48 8.371 3.675 -4.206 385 HB ILE 48 HB ILE 48 8.199 6.680 -3.872 386 HG12 ILE 48 2HG1 ILE 48 7.665 4.433 -1.920 387 HG13 ILE 48 1HG1 ILE 48 9.135 5.392 -1.967 388 HG21 ILE 48 1HG2 ILE 48 5.827 6.357 -3.353 389 HG22 ILE 48 2HG2 ILE 48 5.974 4.645 -3.752 390 HG23 ILE 48 3HG2 ILE 48 6.197 5.865 -5.007 391 HD11 ILE 48 3HD1 ILE 48 6.377 6.473 -1.429 392 HD12 ILE 48 1HD1 ILE 48 7.886 7.383 -1.384 393 HD13 ILE 48 2HD1 ILE 48 7.592 6.109 -0.202 394 HA PRO 49 HA PRO 49 7.928 4.078 -8.619 395 HB2 PRO 49 2HB PRO 49 5.545 2.777 -8.824 396 HB3 PRO 49 1HB PRO 49 7.085 1.940 -8.603 397 HG2 PRO 49 2HG PRO 49 5.022 2.662 -6.547 398 HG3 PRO 49 1HG PRO 49 5.892 1.131 -6.768 399 HD2 PRO 49 2HD PRO 49 6.650 2.913 -4.904 400 HD3 PRO 49 1HD PRO 49 7.840 1.952 -5.811 401 H ARG 50 HN ARG 50 6.648 5.253 -10.085 402 HA ARG 50 HA ARG 50 5.097 7.345 -8.786 403 HB2 ARG 50 2HB ARG 50 5.960 7.128 -11.677 404 HB3 ARG 50 1HB ARG 50 5.308 8.555 -10.877 405 HG2 ARG 50 2HG ARG 50 7.259 8.548 -9.359 406 HG3 ARG 50 1HG ARG 50 7.925 7.196 -10.272 407 HD2 ARG 50 2HD ARG 50 7.858 8.660 -12.306 408 HD3 ARG 50 1HD ARG 50 7.411 10.000 -11.250 409 HE ARG 50 HE ARG 50 9.882 8.495 -10.731 410 HH11 ARG 50 1HH1 ARG 50 8.299 11.510 -11.582 411 HH12 ARG 50 2HH1 ARG 50 9.744 12.455 -11.365 412 HH21 ARG 50 1HH2 ARG 50 11.753 9.744 -10.462 413 HH22 ARG 50 2HH2 ARG 50 11.700 11.460 -10.760 414 H MET 51 HN MET 51 3.201 8.153 -10.345 415 HA MET 51 HA MET 51 1.160 6.372 -9.733 416 HB2 MET 51 2HB MET 51 1.182 8.718 -11.622 417 HB3 MET 51 1HB MET 51 -0.279 7.831 -11.204 418 HG2 MET 51 2HG MET 51 0.106 8.378 -8.834 419 HG3 MET 51 1HG MET 51 1.510 9.333 -9.312 420 HE1 MET 51 3HE MET 51 -2.805 10.351 -10.590 421 HE2 MET 51 1HE MET 51 -2.386 8.940 -9.614 422 HE3 MET 51 2HE MET 51 -1.874 9.034 -11.301 423 H GLY 52 HN GLY 52 2.981 6.647 -12.712 424 HA2 GLY 52 2HA GLY 52 1.246 5.291 -14.439 425 HA3 GLY 52 1HA GLY 52 2.993 5.350 -14.603 426 H LYS 53 HN LYS 53 3.797 3.998 -12.321 427 HA LYS 53 HA LYS 53 3.103 1.295 -13.100 428 HB2 LYS 53 2HB LYS 53 5.274 2.545 -11.524 429 HB3 LYS 53 1HB LYS 53 4.821 0.914 -11.058 430 HG2 LYS 53 2HG LYS 53 6.505 0.513 -12.557 431 HG3 LYS 53 1HG LYS 53 5.088 0.401 -13.597 432 HD2 LYS 53 2HD LYS 53 6.596 2.979 -13.288 433 HD3 LYS 53 1HD LYS 53 7.131 1.740 -14.420 434 HE2 LYS 53 2HE LYS 53 4.436 3.096 -14.411 435 HE3 LYS 53 1HE LYS 53 5.759 3.432 -15.525 436 HZ1 LYS 53 3HZ LYS 53 4.162 0.938 -15.315 437 HZ2 LYS 53 1HZ LYS 53 5.594 1.051 -16.223 438 HZ3 LYS 53 2HZ LYS 53 4.252 2.007 -16.627 439 H VAL 54 HN VAL 54 2.556 3.460 -10.392 440 HA VAL 54 HA VAL 54 1.584 1.535 -8.570 441 HB VAL 54 HB VAL 54 0.822 4.460 -8.774 442 HG11 VAL 54 1HG1 VAL 54 0.150 4.253 -6.439 443 HG12 VAL 54 2HG1 VAL 54 0.548 2.535 -6.464 444 HG13 VAL 54 3HG1 VAL 54 -0.783 3.147 -7.449 445 HG21 VAL 54 3HG2 VAL 54 3.209 4.166 -8.478 446 HG22 VAL 54 1HG2 VAL 54 2.927 3.052 -7.139 447 HG23 VAL 54 2HG2 VAL 54 2.484 4.752 -6.979 448 H GLN 55 HN GLN 55 0.069 3.307 -11.197 449 HA GLN 55 HA GLN 55 -2.603 2.707 -10.810 450 HB2 GLN 55 2HB GLN 55 -1.843 4.139 -12.627 451 HB3 GLN 55 1HB GLN 55 -1.040 2.781 -13.400 452 HG2 GLN 55 2HG GLN 55 -3.065 3.219 -14.571 453 HG3 GLN 55 1HG GLN 55 -3.261 1.706 -13.689 454 HE21 GLN 55 1HE2 GLN 55 -4.648 1.626 -11.920 455 HE22 GLN 55 2HE2 GLN 55 -5.855 2.843 -11.652 456 H ALA 56 HN ALA 56 -0.065 0.689 -12.238 457 HA ALA 56 HA ALA 56 -1.789 -1.463 -12.945 458 HB1 ALA 56 1HB ALA 56 0.405 -1.089 -13.997 459 HB2 ALA 56 2HB ALA 56 0.241 -2.724 -13.350 460 HB3 ALA 56 3HB ALA 56 1.193 -1.520 -12.477 461 H LEU 57 HN LEU 57 0.254 -0.763 -10.141 462 HA LEU 57 HA LEU 57 -0.105 -3.181 -8.764 463 HB2 LEU 57 2HB LEU 57 0.361 -0.382 -7.739 464 HB3 LEU 57 1HB LEU 57 0.423 -1.814 -6.733 465 HG LEU 57 HG LEU 57 2.235 -1.313 -9.094 466 HD11 LEU 57 1HD1 LEU 57 2.802 -1.065 -6.143 467 HD12 LEU 57 2HD1 LEU 57 2.626 0.285 -7.261 468 HD13 LEU 57 3HD1 LEU 57 3.963 -0.847 -7.450 469 HD21 LEU 57 3HD2 LEU 57 1.902 -3.678 -8.630 470 HD22 LEU 57 1HD2 LEU 57 2.271 -3.409 -6.925 471 HD23 LEU 57 2HD2 LEU 57 3.526 -3.184 -8.145 472 H ALA 58 HN ALA 58 -1.892 -0.123 -8.591 473 HA ALA 58 HA ALA 58 -3.795 -0.965 -6.686 474 HB1 ALA 58 1HB ALA 58 -5.061 1.007 -7.341 475 HB2 ALA 58 2HB ALA 58 -4.075 1.183 -8.790 476 HB3 ALA 58 3HB ALA 58 -3.348 1.395 -7.198 477 H ASP 59 HN ASP 59 -3.579 -1.375 -10.130 478 HA ASP 59 HA ASP 59 -6.311 -2.113 -10.532 479 HB2 ASP 59 2HB ASP 59 -4.926 -1.224 -12.356 480 HB3 ASP 59 1HB ASP 59 -3.861 -2.620 -12.234 481 H TYR 60 HN TYR 60 -3.284 -3.857 -10.069 482 HA TYR 60 HA TYR 60 -4.283 -6.462 -10.459 483 HB2 TYR 60 2HB TYR 60 -1.876 -5.856 -10.461 484 HB3 TYR 60 1HB TYR 60 -1.959 -5.587 -8.726 485 HD1 TYR 60 2HD TYR 60 -2.165 -8.162 -11.372 486 HD2 TYR 60 1HD TYR 60 -1.864 -7.408 -7.195 487 HE1 TYR 60 2HE TYR 60 -1.656 -10.537 -10.984 488 HE2 TYR 60 1HE TYR 60 -1.354 -9.778 -6.796 489 HH TYR 60 HH TYR 60 -1.746 -11.962 -7.921 490 H PHE 61 HN PHE 61 -4.018 -4.440 -7.582 491 HA PHE 61 HA PHE 61 -5.117 -6.558 -5.909 492 HB2 PHE 61 2HB PHE 61 -4.068 -3.796 -5.300 493 HB3 PHE 61 1HB PHE 61 -4.822 -4.818 -4.085 494 HD1 PHE 61 1HD PHE 61 -3.742 -6.917 -3.388 495 HD2 PHE 61 2HD PHE 61 -1.841 -4.196 -6.048 496 HE1 PHE 61 1HE PHE 61 -1.576 -7.994 -2.934 497 HE2 PHE 61 2HE PHE 61 0.329 -5.268 -5.604 498 HZ PHE 61 HZ PHE 61 0.466 -7.169 -4.042 499 H ASN 62 HN ASN 62 -6.347 -4.212 -7.888 500 HA ASN 62 HA ASN 62 -8.279 -3.077 -8.117 501 HB2 ASN 62 2HB ASN 62 -9.201 -5.480 -6.562 502 HB3 ASN 62 1HB ASN 62 -10.324 -4.233 -7.094 503 HD21 ASN 62 1HD2 ASN 62 -10.691 -3.940 -9.297 504 HD22 ASN 62 2HD2 ASN 62 -10.262 -5.139 -10.469 505 H ILE 63 HN ILE 63 -6.885 -1.692 -6.562 506 HA ILE 63 HA ILE 63 -8.692 -0.789 -4.430 507 HB ILE 63 HB ILE 63 -6.704 -0.189 -3.042 508 HG12 ILE 63 2HG1 ILE 63 -5.215 -1.958 -4.997 509 HG13 ILE 63 1HG1 ILE 63 -5.028 -0.215 -4.847 510 HG21 ILE 63 1HG2 ILE 63 -6.299 -2.457 -2.186 511 HG22 ILE 63 2HG2 ILE 63 -7.051 -3.128 -3.632 512 HG23 ILE 63 3HG2 ILE 63 -8.007 -2.163 -2.508 513 HD11 ILE 63 3HD1 ILE 63 -4.152 -0.474 -2.609 514 HD12 ILE 63 1HD1 ILE 63 -3.223 -1.446 -3.751 515 HD13 ILE 63 2HD1 ILE 63 -4.405 -2.217 -2.691 516 H ASN 64 HN ASN 64 -7.412 1.450 -3.610 517 HA ASN 64 HA ASN 64 -7.400 3.073 -6.051 518 HB2 ASN 64 2HB ASN 64 -7.562 3.891 -3.139 519 HB3 ASN 64 1HB ASN 64 -7.608 5.000 -4.505 520 HD21 ASN 64 1HD2 ASN 64 -9.318 2.537 -2.749 521 HD22 ASN 64 2HD2 ASN 64 -10.871 2.834 -3.459 522 H LYS 65 HN LYS 65 -5.810 4.832 -6.215 523 HA LYS 65 HA LYS 65 -3.182 3.821 -5.979 524 HB2 LYS 65 2HB LYS 65 -3.960 5.412 -7.738 525 HB3 LYS 65 1HB LYS 65 -4.055 6.670 -6.518 526 HG2 LYS 65 2HG LYS 65 -1.464 5.256 -6.887 527 HG3 LYS 65 1HG LYS 65 -1.969 6.422 -8.107 528 HD2 LYS 65 2HD LYS 65 -1.773 7.015 -5.153 529 HD3 LYS 65 1HD LYS 65 -0.521 7.395 -6.337 530 HE2 LYS 65 2HE LYS 65 -2.069 8.836 -7.539 531 HE3 LYS 65 1HE LYS 65 -3.353 8.422 -6.404 532 HZ1 LYS 65 3HZ LYS 65 -2.396 10.542 -5.845 533 HZ2 LYS 65 1HZ LYS 65 -0.839 9.869 -5.747 534 HZ3 LYS 65 2HZ LYS 65 -2.034 9.421 -4.630 535 H SER 66 HN SER 66 -5.132 5.943 -4.005 536 HA SER 66 HA SER 66 -2.975 6.894 -2.391 537 HB2 SER 66 2HB SER 66 -4.874 7.677 -0.894 538 HB3 SER 66 1HB SER 66 -4.901 8.285 -2.550 539 HG SER 66 HG SER 66 -6.556 6.376 -1.317 540 H ASP 67 HN ASP 67 -4.926 4.037 -2.369 541 HA ASP 67 HA ASP 67 -5.039 3.542 0.398 542 HB2 ASP 67 2HB ASP 67 -5.193 1.649 -1.948 543 HB3 ASP 67 1HB ASP 67 -5.440 1.141 -0.282 544 H LEU 68 HN LEU 68 -2.481 3.067 -1.880 545 HA LEU 68 HA LEU 68 -1.026 1.278 -0.097 546 HB2 LEU 68 2HB LEU 68 -0.386 2.398 -2.823 547 HB3 LEU 68 1HB LEU 68 0.725 1.396 -1.908 548 HG LEU 68 HG LEU 68 -2.009 0.540 -2.861 549 HD11 LEU 68 1HD1 LEU 68 0.741 -0.211 -3.855 550 HD12 LEU 68 2HD1 LEU 68 -0.425 0.809 -4.701 551 HD13 LEU 68 3HD1 LEU 68 -0.788 -0.894 -4.416 552 HD21 LEU 68 3HD2 LEU 68 -1.332 -0.545 -0.773 553 HD22 LEU 68 1HD2 LEU 68 0.186 -1.037 -1.521 554 HD23 LEU 68 2HD2 LEU 68 -1.342 -1.682 -2.120 555 H ILE 69 HN ILE 69 -1.288 4.616 -0.708 556 HA ILE 69 HA ILE 69 1.451 5.224 0.051 557 HB ILE 69 HB ILE 69 -0.792 7.167 -0.516 558 HG12 ILE 69 2HG1 ILE 69 -0.390 5.715 -2.464 559 HG13 ILE 69 1HG1 ILE 69 0.133 7.364 -2.775 560 HG21 ILE 69 1HG2 ILE 69 1.058 8.131 0.725 561 HG22 ILE 69 2HG2 ILE 69 1.034 8.757 -0.923 562 HG23 ILE 69 3HG2 ILE 69 2.200 7.518 -0.465 563 HD11 ILE 69 3HD1 ILE 69 1.707 5.744 -3.664 564 HD12 ILE 69 1HD1 ILE 69 1.923 5.055 -2.054 565 HD13 ILE 69 2HD1 ILE 69 2.447 6.705 -2.382 566 H GLU 70 HN GLU 70 -1.831 5.631 1.336 567 HA GLU 70 HA GLU 70 -0.864 7.001 3.676 568 HB2 GLU 70 2HB GLU 70 -3.295 6.802 4.352 569 HB3 GLU 70 1HB GLU 70 -2.957 7.756 2.924 570 HG2 GLU 70 2HG GLU 70 -3.589 5.831 1.530 571 HG3 GLU 70 1HG GLU 70 -3.976 4.925 2.991 572 H ASP 71 HN ASP 71 -0.832 6.246 5.743 573 HA ASP 71 HA ASP 71 -0.941 3.315 6.017 574 HB2 ASP 71 2HB ASP 71 1.270 4.238 6.471 575 HB3 ASP 71 1HB ASP 71 0.589 5.363 7.639 576 H LYS 72 HN LYS 72 -2.525 2.492 7.168 577 HA LYS 72 HA LYS 72 -3.986 2.106 8.856 578 HB2 LYS 72 2HB LYS 72 -1.995 3.008 10.183 579 HB3 LYS 72 1HB LYS 72 -2.878 4.522 10.271 580 HG2 LYS 72 2HG LYS 72 -4.517 3.639 11.639 581 HG3 LYS 72 1HG LYS 72 -4.160 1.979 11.166 582 HD2 LYS 72 2HD LYS 72 -2.282 3.723 12.757 583 HD3 LYS 72 1HD LYS 72 -3.421 2.583 13.476 584 HE2 LYS 72 2HE LYS 72 -1.412 1.394 13.394 585 HE3 LYS 72 1HE LYS 72 -2.302 0.819 11.989 586 HZ1 LYS 72 3HZ LYS 72 -0.997 2.547 10.695 587 HZ2 LYS 72 1HZ LYS 72 -0.119 1.213 11.259 588 HZ3 LYS 72 2HZ LYS 72 -0.014 2.700 12.063 589 H LYS 73 HN LYS 73 -4.199 4.558 6.795 590 HA LYS 73 HA LYS 73 -6.595 5.754 7.931 591 HB2 LYS 73 2HB LYS 73 -4.633 6.619 6.098 592 HB3 LYS 73 1HB LYS 73 -6.123 6.465 5.177 593 HG2 LYS 73 2HG LYS 73 -5.896 8.016 7.743 594 HG3 LYS 73 1HG LYS 73 -5.694 8.720 6.142 595 HD2 LYS 73 2HD LYS 73 -8.175 7.201 6.888 596 HD3 LYS 73 1HD LYS 73 -7.996 8.910 7.274 597 HE2 LYS 73 2HE LYS 73 -9.140 8.898 5.234 598 HE3 LYS 73 1HE LYS 73 -7.471 9.237 4.792 599 HZ1 LYS 73 3HZ LYS 73 -8.806 6.589 4.604 600 HZ2 LYS 73 1HZ LYS 73 -7.199 6.909 4.173 601 HZ3 LYS 73 2HZ LYS 73 -8.469 7.623 3.307 602 H LEU 74 HN LEU 74 -5.907 2.973 6.636 603 HA LEU 74 HA LEU 74 -8.182 2.698 4.845 604 HB2 LEU 74 2HB LEU 74 -6.095 0.689 5.703 605 HB3 LEU 74 1HB LEU 74 -7.282 0.479 4.440 606 HG LEU 74 HG LEU 74 -5.057 2.509 4.380 607 HD11 LEU 74 1HD1 LEU 74 -4.190 0.244 4.243 608 HD12 LEU 74 2HD1 LEU 74 -4.058 1.059 2.684 609 HD13 LEU 74 3HD1 LEU 74 -5.331 -0.131 2.954 610 HD21 LEU 74 3HD2 LEU 74 -7.011 1.649 2.246 611 HD22 LEU 74 1HD2 LEU 74 -5.690 2.802 2.044 612 HD23 LEU 74 2HD2 LEU 74 -7.040 3.184 3.118 613 H ASN 75 HN ASN 75 -9.429 3.264 6.880 614 HA ASN 75 HA ASN 75 -10.773 2.765 8.631 615 HB2 ASN 75 2HB ASN 75 -11.486 0.818 7.256 616 HB3 ASN 75 1HB ASN 75 -10.202 -0.139 7.991 617 HD21 ASN 75 1HD2 ASN 75 -13.200 1.565 8.590 618 HD22 ASN 75 2HD2 ASN 75 -13.609 0.709 10.041 619 H ILE 76 HN ILE 76 -9.949 3.409 10.457 620 HA ILE 76 HA ILE 76 -7.379 3.222 11.292 621 HB ILE 76 HB ILE 76 -9.744 3.391 13.140 622 HG12 ILE 76 2HG1 ILE 76 -9.855 5.082 11.374 623 HG13 ILE 76 1HG1 ILE 76 -9.478 5.833 12.921 624 HG21 ILE 76 1HG2 ILE 76 -7.703 2.938 14.355 625 HG22 ILE 76 2HG2 ILE 76 -8.212 4.605 14.638 626 HG23 ILE 76 3HG2 ILE 76 -6.888 4.264 13.524 627 HD11 ILE 76 3HD1 ILE 76 -8.167 6.782 11.099 628 HD12 ILE 76 1HD1 ILE 76 -7.487 5.191 10.756 629 HD13 ILE 76 2HD1 ILE 76 -7.137 5.988 12.291 630 H ASP 77 HN ASP 77 -6.109 1.738 12.001 631 HA ASP 77 HA ASP 77 -7.034 -0.870 12.782 632 HB2 ASP 77 2HB ASP 77 -4.228 0.266 12.616 633 HB3 ASP 77 1HB ASP 77 -4.619 -1.418 12.945 634 H THR 78 HN THR 78 -8.121 -0.362 14.671 635 HA THR 78 HA THR 78 -7.106 0.980 16.884 636 HB THR 78 HB THR 78 -9.477 0.266 16.652 637 HG1 THR 78 1HG THR 78 -8.231 0.695 18.760 638 HG21 THR 78 3HG2 THR 78 -8.420 -2.448 17.450 639 HG22 THR 78 1HG2 THR 78 -9.131 -2.029 15.892 640 HG23 THR 78 2HG2 THR 78 -10.122 -1.996 17.349 641 H VAL 79 HN VAL 79 -5.853 0.429 18.594 642 HA VAL 79 HA VAL 79 -4.532 -2.203 18.448 643 HB VAL 79 HB VAL 79 -3.237 0.384 19.330 644 HG11 VAL 79 1HG1 VAL 79 -2.074 -2.370 18.929 645 HG12 VAL 79 2HG1 VAL 79 -2.320 -1.556 20.474 646 HG13 VAL 79 3HG1 VAL 79 -1.154 -0.915 19.318 647 HG21 VAL 79 3HG2 VAL 79 -2.866 -1.189 16.784 648 HG22 VAL 79 1HG2 VAL 79 -1.901 0.200 17.277 649 HG23 VAL 79 2HG2 VAL 79 -3.620 0.398 16.929 650 HA PRO 80 HA PRO 80 -6.253 -1.983 22.690 651 HB2 PRO 80 2HB PRO 80 -7.255 -4.468 22.745 652 HB3 PRO 80 1HB PRO 80 -8.120 -3.148 21.948 653 HG2 PRO 80 2HG PRO 80 -6.451 -5.321 20.751 654 HG3 PRO 80 1HG PRO 80 -7.988 -4.643 20.182 655 HD2 PRO 80 2HD PRO 80 -5.512 -3.940 19.188 656 HD3 PRO 80 1HD PRO 80 -6.959 -2.919 19.098 657 H ILE 81 HN ILE 81 -5.952 -3.912 24.418 658 HA ILE 81 HA ILE 81 -3.200 -4.492 24.645 659 HB ILE 81 HB ILE 81 -4.640 -4.396 26.602 660 HG12 ILE 81 2HG1 ILE 81 -3.524 -7.181 26.274 661 HG13 ILE 81 1HG1 ILE 81 -2.567 -5.757 26.667 662 HG21 ILE 81 1HG2 ILE 81 -6.247 -6.145 27.132 663 HG22 ILE 81 2HG2 ILE 81 -5.917 -6.928 25.588 664 HG23 ILE 81 3HG2 ILE 81 -6.672 -5.336 25.624 665 HD11 ILE 81 3HD1 ILE 81 -4.777 -6.916 28.350 666 HD12 ILE 81 1HD1 ILE 81 -3.819 -5.490 28.745 667 HD13 ILE 81 2HD1 ILE 81 -3.046 -7.072 28.650 668 H GLU 82 HN GLU 82 -2.047 -6.383 24.235 669 HA GLU 82 HA GLU 82 -2.957 -7.671 21.857 670 HB2 GLU 82 2HB GLU 82 -0.792 -8.957 22.002 671 HB3 GLU 82 1HB GLU 82 -0.641 -7.212 21.906 672 HG2 GLU 82 2HG GLU 82 -0.525 -8.705 24.508 673 HG3 GLU 82 1HG GLU 82 0.898 -8.418 23.507 674 H SER 83 HN SER 83 -4.346 -9.220 21.812 675 HA SER 83 HA SER 83 -4.743 -10.999 24.057 676 HB2 SER 83 2HB SER 83 -6.645 -10.016 22.750 677 HB3 SER 83 1HB SER 83 -6.129 -10.967 21.358 678 HG SER 83 HG SER 83 -6.819 -12.076 23.887 679 H GLY 84 HN GLY 84 -5.105 -13.406 23.438 680 HA2 GLY 84 2HA GLY 84 -2.676 -14.531 22.621 681 HA3 GLY 84 1HA GLY 84 -4.203 -15.397 22.752 682 H TYR 85 HN TYR 85 -1.821 -14.334 20.680 683 HA TYR 85 HA TYR 85 -3.356 -15.150 18.348 684 HB2 TYR 85 2HB TYR 85 -3.659 -12.689 18.515 685 HB3 TYR 85 1HB TYR 85 -1.913 -12.490 18.492 686 HD1 TYR 85 2HD TYR 85 -4.799 -13.654 16.483 687 HD2 TYR 85 1HD TYR 85 -0.741 -12.382 16.441 688 HE1 TYR 85 2HE TYR 85 -4.874 -13.520 14.030 689 HE2 TYR 85 1HE TYR 85 -0.802 -12.241 13.987 690 HH TYR 85 HH TYR 85 -3.696 -12.358 12.212 691 H THR 86 HN THR 86 -2.117 -16.317 16.982 692 HA THR 86 HA THR 86 0.596 -16.876 17.665 693 HB THR 86 HB THR 86 -0.894 -17.673 15.152 694 HG1 THR 86 1HG THR 86 -0.957 -18.591 17.801 695 HG21 THR 86 3HG2 THR 86 1.535 -17.981 15.013 696 HG22 THR 86 1HG2 THR 86 0.698 -19.534 15.091 697 HG23 THR 86 2HG2 THR 86 1.505 -18.893 16.525 698 H LEU 87 HN LEU 87 1.965 -15.244 17.426 699 HA LEU 87 HA LEU 87 2.136 -13.925 14.809 700 HB2 LEU 87 2HB LEU 87 0.969 -12.477 16.417 701 HB3 LEU 87 1HB LEU 87 2.317 -12.619 17.524 702 HG LEU 87 HG LEU 87 3.762 -11.468 15.856 703 HD11 LEU 87 1HD1 LEU 87 2.697 -10.285 14.002 704 HD12 LEU 87 2HD1 LEU 87 1.160 -11.054 14.391 705 HD13 LEU 87 3HD1 LEU 87 2.520 -12.033 13.840 706 HD21 LEU 87 3HD2 LEU 87 1.288 -9.967 16.711 707 HD22 LEU 87 1HD2 LEU 87 2.820 -9.241 16.229 708 HD23 LEU 87 2HD2 LEU 87 2.732 -10.230 17.685 709 H GLU 88 HN GLU 88 4.151 -13.782 14.007 710 HA GLU 88 HA GLU 88 6.381 -14.315 15.848 711 HB2 GLU 88 2HB GLU 88 7.561 -15.457 14.071 712 HB3 GLU 88 1HB GLU 88 5.989 -16.205 14.294 713 HG2 GLU 88 2HG GLU 88 6.652 -14.227 12.123 714 HG3 GLU 88 1HG GLU 88 6.666 -15.977 11.928 715 H HIS 89 HN HIS 89 7.954 -12.828 15.893 716 HA HIS 89 HA HIS 89 8.194 -10.999 13.624 717 HB2 HIS 89 2HB HIS 89 7.831 -10.211 16.503 718 HB3 HIS 89 1HB HIS 89 8.706 -9.171 15.383 719 HD1 HIS 89 1HD HIS 89 6.792 -9.715 12.904 720 HD2 HIS 89 2HD HIS 89 5.590 -8.604 16.738 721 HE1 HIS 89 1HE HIS 89 4.538 -8.627 12.627 722 HE2 HIS 89 2HE HIS 89 3.871 -7.873 14.940 723 H HIS 90 HN HIS 90 10.132 -11.288 12.852 724 HA HIS 90 HA HIS 90 12.317 -12.051 14.623 725 HB2 HIS 90 2HB HIS 90 12.009 -13.298 12.513 726 HB3 HIS 90 1HB HIS 90 12.239 -11.805 11.605 727 HD1 HIS 90 1HD HIS 90 14.150 -14.083 13.963 728 HD2 HIS 90 2HD HIS 90 14.834 -11.248 10.995 729 HE1 HIS 90 1HE HIS 90 16.637 -14.097 13.568 730 HE2 HIS 90 2HE HIS 90 17.033 -12.367 11.772 731 H HIS 91 HN HIS 91 13.270 -10.414 15.623 732 HA HIS 91 HA HIS 91 13.191 -7.741 14.619 733 HB2 HIS 91 2HB HIS 91 13.204 -8.328 17.045 734 HB3 HIS 91 1HB HIS 91 14.867 -8.871 16.871 735 HD1 HIS 91 1HD HIS 91 12.820 -5.889 17.467 736 HD2 HIS 91 2HD HIS 91 16.727 -6.722 16.296 737 HE1 HIS 91 1HE HIS 91 14.090 -3.742 17.750 738 HE2 HIS 91 2HE HIS 91 16.377 -4.209 16.812 739 H HIS 92 HN HIS 92 14.366 -7.162 12.907 740 HA HIS 92 HA HIS 92 16.931 -8.379 12.344 741 HB2 HIS 92 2HB HIS 92 15.519 -6.069 10.977 742 HB3 HIS 92 1HB HIS 92 16.987 -6.845 10.397 743 HD1 HIS 92 1HD HIS 92 16.740 -9.093 9.170 744 HD2 HIS 92 2HD HIS 92 13.154 -7.548 10.617 745 HE1 HIS 92 1HE HIS 92 14.922 -10.458 8.092 746 HE2 HIS 92 2HE HIS 92 12.762 -9.553 9.033 747 H HIS 93 HN HIS 93 18.933 -7.376 12.493 748 HA HIS 93 HA HIS 93 18.976 -4.759 13.850 749 HB2 HIS 93 2HB HIS 93 19.429 -6.646 15.457 750 HB3 HIS 93 1HB HIS 93 20.848 -7.051 14.498 751 HD1 HIS 93 1HD HIS 93 22.978 -5.773 14.996 752 HD2 HIS 93 2HD HIS 93 19.611 -4.083 16.773 753 HE1 HIS 93 1HE HIS 93 23.841 -3.940 16.486 754 HE2 HIS 93 2HE HIS 93 21.784 -2.857 17.464 755 H HIS 94 HN HIS 94 20.557 -3.364 13.178 756 HA HIS 94 HA HIS 94 22.310 -4.335 11.020 757 HB2 HIS 94 2HB HIS 94 20.611 -2.775 10.174 758 HB3 HIS 94 1HB HIS 94 21.103 -1.577 11.366 759 HD1 HIS 94 1HD HIS 94 22.391 -3.326 8.272 760 HD2 HIS 94 2HD HIS 94 23.243 -0.004 10.629 761 HE1 HIS 94 1HE HIS 94 24.149 -2.034 7.016 762 HE2 HIS 94 2HE HIS 94 24.818 -0.182 8.589 Start of MODEL 14 1 H1 MET 1 H1 MET 1 20.401 10.212 5.790 2 H2 MET 1 H2 MET 1 19.916 8.676 6.316 3 H3 MET 1 H3 MET 1 21.513 9.189 6.561 4 HA MET 1 HA MET 1 20.332 9.332 8.617 5 HB2 MET 1 2HB MET 1 21.988 11.072 8.188 6 HB3 MET 1 1HB MET 1 20.791 12.034 7.330 7 HG2 MET 1 2HG MET 1 19.518 12.298 9.396 8 HG3 MET 1 1HG MET 1 20.717 11.334 10.258 9 HE1 MET 1 2HE MET 1 19.796 14.212 11.216 10 HE2 MET 1 3HE MET 1 21.341 14.958 11.628 11 HE3 MET 1 1HE MET 1 21.031 13.279 12.061 12 H VAL 2 HN VAL 2 18.778 11.232 6.050 13 HA VAL 2 HA VAL 2 16.360 11.528 7.631 14 HB VAL 2 HB VAL 2 16.867 12.317 4.752 15 HG11 VAL 2 1HG1 VAL 2 14.686 13.134 6.663 16 HG12 VAL 2 2HG1 VAL 2 14.498 12.086 5.260 17 HG13 VAL 2 3HG1 VAL 2 14.929 13.781 5.043 18 HG21 VAL 2 3HG2 VAL 2 18.386 13.463 6.288 19 HG22 VAL 2 1HG2 VAL 2 17.007 13.996 7.253 20 HG23 VAL 2 2HG2 VAL 2 17.204 14.577 5.600 21 H LYS 3 HN LYS 3 15.137 9.774 7.837 22 HA LYS 3 HA LYS 3 14.860 7.924 5.587 23 HB2 LYS 3 2HB LYS 3 15.352 7.101 7.930 24 HB3 LYS 3 1HB LYS 3 13.743 7.643 8.383 25 HG2 LYS 3 2HG LYS 3 13.623 5.309 7.971 26 HG3 LYS 3 1HG LYS 3 12.824 6.121 6.623 27 HD2 LYS 3 2HD LYS 3 14.865 5.879 5.281 28 HD3 LYS 3 1HD LYS 3 15.646 5.052 6.631 29 HE2 LYS 3 2HE LYS 3 13.906 3.308 6.527 30 HE3 LYS 3 1HE LYS 3 13.209 4.117 5.122 31 HZ1 LYS 3 3HZ LYS 3 14.571 2.426 4.272 32 HZ2 LYS 3 1HZ LYS 3 15.842 2.776 5.341 33 HZ3 LYS 3 2HZ LYS 3 15.482 3.847 4.081 34 H ASP 4 HN ASP 4 13.267 8.343 4.199 35 HA ASP 4 HA ASP 4 11.135 10.131 4.776 36 HB2 ASP 4 2HB ASP 4 12.115 9.696 2.482 37 HB3 ASP 4 1HB ASP 4 11.257 8.158 2.486 38 H LYS 5 HN LYS 5 9.402 9.694 5.957 39 HA LYS 5 HA LYS 5 8.809 7.060 6.842 40 HB2 LYS 5 2HB LYS 5 7.359 9.681 7.169 41 HB3 LYS 5 1HB LYS 5 6.781 8.179 7.876 42 HG2 LYS 5 2HG LYS 5 8.895 7.990 9.128 43 HG3 LYS 5 1HG LYS 5 9.406 9.537 8.452 44 HD2 LYS 5 2HD LYS 5 7.508 10.640 9.502 45 HD3 LYS 5 1HD LYS 5 6.941 9.097 10.137 46 HE2 LYS 5 2HE LYS 5 8.113 10.391 11.848 47 HE3 LYS 5 1HE LYS 5 8.965 8.893 11.480 48 HZ1 LYS 5 3HZ LYS 5 10.602 10.047 10.285 49 HZ2 LYS 5 1HZ LYS 5 10.359 10.966 11.691 50 HZ3 LYS 5 2HZ LYS 5 9.686 11.475 10.216 51 H GLN 6 HN GLN 6 7.192 9.274 4.577 52 HA GLN 6 HA GLN 6 4.907 7.720 4.120 53 HB2 GLN 6 2HB GLN 6 5.092 10.045 3.381 54 HB3 GLN 6 1HB GLN 6 6.330 9.599 2.222 55 HG2 GLN 6 2HG GLN 6 4.212 9.912 1.108 56 HG3 GLN 6 1HG GLN 6 4.696 8.218 1.020 57 HE21 GLN 6 1HE2 GLN 6 3.545 6.671 2.201 58 HE22 GLN 6 2HE2 GLN 6 1.965 7.004 2.837 59 H LYS 7 HN LYS 7 8.038 7.739 2.503 60 HA LYS 7 HA LYS 7 7.409 5.800 0.544 61 HB2 LYS 7 2HB LYS 7 9.310 7.430 0.493 62 HB3 LYS 7 1HB LYS 7 10.117 6.457 1.710 63 HG2 LYS 7 2HG LYS 7 10.529 4.722 0.238 64 HG3 LYS 7 1HG LYS 7 9.246 5.221 -0.867 65 HD2 LYS 7 2HD LYS 7 11.472 5.701 -1.781 66 HD3 LYS 7 1HD LYS 7 10.534 7.172 -1.525 67 HE2 LYS 7 2HE LYS 7 12.726 7.632 -0.760 68 HE3 LYS 7 1HE LYS 7 11.734 7.412 0.681 69 HZ1 LYS 7 3HZ LYS 7 12.551 5.052 0.682 70 HZ2 LYS 7 1HZ LYS 7 13.724 6.228 1.027 71 HZ3 LYS 7 2HZ LYS 7 13.666 5.511 -0.506 72 H ALA 8 HN ALA 8 8.687 5.586 3.810 73 HA ALA 8 HA ALA 8 9.247 2.784 3.712 74 HB1 ALA 8 1HB ALA 8 9.555 2.959 6.123 75 HB2 ALA 8 2HB ALA 8 8.829 4.567 6.111 76 HB3 ALA 8 3HB ALA 8 10.365 4.286 5.290 77 H ILE 9 HN ILE 9 6.455 4.730 4.630 78 HA ILE 9 HA ILE 9 4.892 2.624 5.698 79 HB ILE 9 HB ILE 9 4.035 5.191 4.349 80 HG12 ILE 9 2HG1 ILE 9 4.136 4.431 7.274 81 HG13 ILE 9 1HG1 ILE 9 5.322 5.438 6.450 82 HG21 ILE 9 1HG2 ILE 9 2.245 3.555 4.194 83 HG22 ILE 9 2HG2 ILE 9 1.836 4.811 5.361 84 HG23 ILE 9 3HG2 ILE 9 2.367 3.228 5.923 85 HD11 ILE 9 3HD1 ILE 9 3.760 6.781 7.721 86 HD12 ILE 9 1HD1 ILE 9 2.405 6.092 6.826 87 HD13 ILE 9 2HD1 ILE 9 3.595 7.098 5.994 88 H PHE 10 HN PHE 10 5.289 3.932 2.450 89 HA PHE 10 HA PHE 10 3.318 2.472 1.129 90 HB2 PHE 10 2HB PHE 10 4.542 4.368 0.133 91 HB3 PHE 10 1HB PHE 10 6.000 3.388 0.058 92 HD1 PHE 10 1HD PHE 10 2.546 3.685 -1.233 93 HD2 PHE 10 2HD PHE 10 6.404 1.968 -1.764 94 HE1 PHE 10 1HE PHE 10 1.885 2.905 -3.472 95 HE2 PHE 10 2HE PHE 10 5.753 1.176 -4.004 96 HZ PHE 10 HZ PHE 10 3.487 1.644 -4.862 97 H SER 11 HN SER 11 6.745 1.668 1.664 98 HA SER 11 HA SER 11 6.633 -0.814 0.312 99 HB2 SER 11 2HB SER 11 8.787 -1.260 1.600 100 HB3 SER 11 1HB SER 11 8.776 0.170 0.571 101 HG SER 11 HG SER 11 9.128 -0.022 3.247 102 H GLU 12 HN GLU 12 6.462 0.037 3.763 103 HA GLU 12 HA GLU 12 6.223 -2.548 4.807 104 HB2 GLU 12 2HB GLU 12 6.568 -0.435 6.121 105 HB3 GLU 12 1HB GLU 12 4.871 -0.053 5.871 106 HG2 GLU 12 2HG GLU 12 5.155 -0.998 8.056 107 HG3 GLU 12 1HG GLU 12 4.267 -2.140 7.047 108 H ASN 13 HN ASN 13 3.789 -0.327 3.587 109 HA ASN 13 HA ASN 13 1.493 -1.843 4.190 110 HB2 ASN 13 2HB ASN 13 1.741 0.615 3.415 111 HB3 ASN 13 1HB ASN 13 1.773 -0.047 1.789 112 HD21 ASN 13 1HD2 ASN 13 -0.115 1.725 3.110 113 HD22 ASN 13 2HD2 ASN 13 -1.662 0.977 2.932 114 H LEU 14 HN LEU 14 3.376 -1.536 1.202 115 HA LEU 14 HA LEU 14 1.936 -3.327 -0.378 116 HB2 LEU 14 2HB LEU 14 3.632 -1.715 -1.194 117 HB3 LEU 14 1HB LEU 14 4.891 -2.719 -0.501 118 HG LEU 14 HG LEU 14 4.215 -4.558 -2.034 119 HD11 LEU 14 1HD1 LEU 14 2.431 -2.443 -3.234 120 HD12 LEU 14 2HD1 LEU 14 1.897 -3.893 -2.389 121 HD13 LEU 14 3HD1 LEU 14 2.754 -4.032 -3.922 122 HD21 LEU 14 3HD2 LEU 14 6.056 -3.032 -2.587 123 HD22 LEU 14 1HD2 LEU 14 4.914 -1.959 -3.397 124 HD23 LEU 14 2HD2 LEU 14 5.200 -3.581 -4.031 125 H ASN 15 HN ASN 15 4.817 -3.920 1.632 126 HA ASN 15 HA ASN 15 5.185 -6.613 0.959 127 HB2 ASN 15 2HB ASN 15 5.965 -4.952 3.328 128 HB3 ASN 15 1HB ASN 15 6.220 -6.692 3.370 129 HD21 ASN 15 1HD2 ASN 15 7.112 -3.699 1.859 130 HD22 ASN 15 2HD2 ASN 15 8.560 -4.276 1.105 131 H SER 16 HN SER 16 3.010 -5.128 3.275 132 HA SER 16 HA SER 16 2.336 -7.370 4.798 133 HB2 SER 16 2HB SER 16 0.567 -5.032 4.030 134 HB3 SER 16 1HB SER 16 0.285 -6.145 5.368 135 HG SER 16 HG SER 16 2.348 -4.225 5.069 136 H TYR 17 HN TYR 17 1.124 -6.243 1.684 137 HA TYR 17 HA TYR 17 -0.910 -8.257 1.481 138 HB2 TYR 17 2HB TYR 17 0.277 -6.284 -0.454 139 HB3 TYR 17 1HB TYR 17 -0.831 -7.538 -0.999 140 HD1 TYR 17 2HD TYR 17 -3.147 -7.616 0.025 141 HD2 TYR 17 1HD TYR 17 -0.538 -4.287 0.484 142 HE1 TYR 17 2HE TYR 17 -5.069 -6.197 0.595 143 HE2 TYR 17 1HE TYR 17 -2.456 -2.859 1.059 144 HH TYR 17 HH TYR 17 -4.879 -2.787 0.723 145 H ILE 18 HN ILE 18 2.332 -7.808 0.143 146 HA ILE 18 HA ILE 18 2.299 -9.975 -1.631 147 HB ILE 18 HB ILE 18 4.726 -8.824 -0.242 148 HG12 ILE 18 2HG1 ILE 18 3.486 -7.966 -2.865 149 HG13 ILE 18 1HG1 ILE 18 3.258 -7.107 -1.345 150 HG21 ILE 18 1HG2 ILE 18 5.191 -10.896 -1.410 151 HG22 ILE 18 2HG2 ILE 18 5.901 -9.539 -2.284 152 HG23 ILE 18 3HG2 ILE 18 4.408 -10.277 -2.864 153 HD11 ILE 18 3HD1 ILE 18 4.959 -6.045 -2.706 154 HD12 ILE 18 1HD1 ILE 18 5.883 -7.549 -2.747 155 HD13 ILE 18 2HD1 ILE 18 5.659 -6.692 -1.221 156 H ALA 19 HN ALA 19 3.265 -9.782 1.760 157 HA ALA 19 HA ALA 19 4.347 -12.443 1.804 158 HB1 ALA 19 1HB ALA 19 5.249 -10.686 3.237 159 HB2 ALA 19 2HB ALA 19 4.664 -12.049 4.188 160 HB3 ALA 19 3HB ALA 19 3.705 -10.573 4.081 161 H LYS 20 HN LYS 20 1.194 -11.186 2.009 162 HA LYS 20 HA LYS 20 0.278 -13.541 3.512 163 HB2 LYS 20 2HB LYS 20 -0.446 -10.926 3.824 164 HB3 LYS 20 1HB LYS 20 -1.726 -11.516 2.771 165 HG2 LYS 20 2HG LYS 20 -2.166 -13.337 4.363 166 HG3 LYS 20 1HG LYS 20 -0.935 -12.668 5.437 167 HD2 LYS 20 2HD LYS 20 -2.251 -10.539 5.475 168 HD3 LYS 20 1HD LYS 20 -3.524 -11.379 4.587 169 HE2 LYS 20 2HE LYS 20 -2.457 -12.075 7.322 170 HE3 LYS 20 1HE LYS 20 -4.039 -11.395 6.949 171 HZ1 LYS 20 3HZ LYS 20 -4.618 -13.416 5.783 172 HZ2 LYS 20 1HZ LYS 20 -4.129 -13.783 7.367 173 HZ3 LYS 20 2HZ LYS 20 -3.075 -14.063 6.064 174 H SER 21 HN SER 21 0.467 -12.200 0.413 175 HA SER 21 HA SER 21 -1.728 -13.688 -0.727 176 HB2 SER 21 2HB SER 21 -1.023 -11.460 -1.613 177 HB3 SER 21 1HB SER 21 0.510 -12.179 -2.110 178 HG SER 21 HG SER 21 -1.989 -12.353 -3.267 179 H GLU 22 HN GLU 22 -1.256 -15.110 -2.646 180 HA GLU 22 HA GLU 22 0.775 -17.071 -1.913 181 HB2 GLU 22 2HB GLU 22 -1.275 -17.163 -4.134 182 HB3 GLU 22 1HB GLU 22 -0.306 -18.508 -3.551 183 HG2 GLU 22 2HG GLU 22 -2.398 -17.037 -1.962 184 HG3 GLU 22 1HG GLU 22 -2.610 -18.601 -2.748 185 H LYS 23 HN LYS 23 0.706 -14.337 -3.710 186 HA LYS 23 HA LYS 23 2.128 -15.311 -6.035 187 HB2 LYS 23 2HB LYS 23 0.743 -12.857 -5.259 188 HB3 LYS 23 1HB LYS 23 2.230 -12.568 -6.147 189 HG2 LYS 23 2HG LYS 23 0.326 -12.645 -7.639 190 HG3 LYS 23 1HG LYS 23 1.429 -13.981 -7.963 191 HD2 LYS 23 2HD LYS 23 -0.012 -15.521 -6.817 192 HD3 LYS 23 1HD LYS 23 -1.057 -14.203 -6.276 193 HE2 LYS 23 2HE LYS 23 -0.575 -14.938 -9.162 194 HE3 LYS 23 1HE LYS 23 -1.962 -15.473 -8.211 195 HZ1 LYS 23 3HZ LYS 23 -2.613 -13.166 -7.913 196 HZ2 LYS 23 1HZ LYS 23 -2.494 -13.537 -9.565 197 HZ3 LYS 23 2HZ LYS 23 -1.272 -12.640 -8.808 198 H THR 24 HN THR 24 4.206 -14.762 -6.607 199 HA THR 24 HA THR 24 5.975 -13.992 -4.413 200 HB THR 24 HB THR 24 7.779 -14.710 -6.046 201 HG1 THR 24 1HG THR 24 6.064 -16.279 -7.484 202 HG21 THR 24 3HG2 THR 24 7.078 -16.167 -4.235 203 HG22 THR 24 1HG2 THR 24 7.358 -17.126 -5.690 204 HG23 THR 24 2HG2 THR 24 5.710 -16.744 -5.187 205 H GLN 25 HN GLN 25 7.875 -12.599 -5.055 206 HA GLN 25 HA GLN 25 7.018 -10.092 -6.010 207 HB2 GLN 25 2HB GLN 25 9.773 -11.288 -5.697 208 HB3 GLN 25 1HB GLN 25 9.497 -9.610 -6.128 209 HG2 GLN 25 2HG GLN 25 8.305 -9.273 -4.014 210 HG3 GLN 25 1HG GLN 25 8.587 -10.957 -3.593 211 HE21 GLN 25 1HE2 GLN 25 10.005 -7.821 -3.960 212 HE22 GLN 25 2HE2 GLN 25 11.505 -8.174 -3.174 213 H LEU 26 HN LEU 26 8.483 -12.838 -7.560 214 HA LEU 26 HA LEU 26 9.210 -11.593 -9.987 215 HB2 LEU 26 2HB LEU 26 9.156 -14.257 -8.842 216 HB3 LEU 26 1HB LEU 26 8.740 -14.266 -10.536 217 HG LEU 26 HG LEU 26 11.246 -13.011 -9.425 218 HD11 LEU 26 1HD1 LEU 26 12.419 -14.953 -10.283 219 HD12 LEU 26 2HD1 LEU 26 10.888 -15.680 -10.775 220 HD13 LEU 26 3HD1 LEU 26 11.235 -15.428 -9.065 221 HD21 LEU 26 3HD2 LEU 26 10.535 -12.046 -11.535 222 HD22 LEU 26 1HD2 LEU 26 10.384 -13.654 -12.245 223 HD23 LEU 26 2HD2 LEU 26 11.969 -13.042 -11.771 224 H GLU 27 HN GLU 27 6.334 -13.393 -8.956 225 HA GLU 27 HA GLU 27 4.979 -13.441 -11.399 226 HB2 GLU 27 2HB GLU 27 4.562 -14.519 -9.001 227 HB3 GLU 27 1HB GLU 27 3.500 -13.133 -8.828 228 HG2 GLU 27 2HG GLU 27 3.338 -15.218 -10.983 229 HG3 GLU 27 1HG GLU 27 2.318 -15.098 -9.559 230 H ILE 28 HN ILE 28 4.781 -11.160 -8.677 231 HA ILE 28 HA ILE 28 2.815 -9.499 -9.807 232 HB ILE 28 HB ILE 28 4.910 -8.733 -7.771 233 HG12 ILE 28 2HG1 ILE 28 2.119 -9.842 -7.357 234 HG13 ILE 28 1HG1 ILE 28 3.606 -10.762 -7.143 235 HG21 ILE 28 1HG2 ILE 28 3.732 -6.826 -8.779 236 HG22 ILE 28 2HG2 ILE 28 3.304 -7.030 -7.080 237 HG23 ILE 28 3HG2 ILE 28 2.187 -7.557 -8.340 238 HD11 ILE 28 3HD1 ILE 28 2.700 -10.015 -5.016 239 HD12 ILE 28 1HD1 ILE 28 2.788 -8.338 -5.555 240 HD13 ILE 28 2HD1 ILE 28 4.268 -9.273 -5.329 241 H ALA 29 HN ALA 29 6.365 -9.264 -9.787 242 HA ALA 29 HA ALA 29 6.634 -6.812 -11.085 243 HB1 ALA 29 1HB ALA 29 8.872 -7.565 -11.720 244 HB2 ALA 29 2HB ALA 29 8.441 -9.220 -11.280 245 HB3 ALA 29 3HB ALA 29 8.506 -7.967 -10.041 246 H LYS 30 HN LYS 30 6.285 -10.058 -12.435 247 HA LYS 30 HA LYS 30 6.561 -9.424 -15.148 248 HB2 LYS 30 2HB LYS 30 6.602 -11.721 -14.301 249 HB3 LYS 30 1HB LYS 30 4.923 -11.591 -13.807 250 HG2 LYS 30 2HG LYS 30 5.677 -11.232 -16.679 251 HG3 LYS 30 1HG LYS 30 5.536 -12.846 -15.989 252 HD2 LYS 30 2HD LYS 30 3.363 -10.748 -15.952 253 HD3 LYS 30 1HD LYS 30 3.462 -12.081 -17.099 254 HE2 LYS 30 2HE LYS 30 3.166 -13.693 -15.365 255 HE3 LYS 30 1HE LYS 30 3.330 -12.463 -14.113 256 HZ1 LYS 30 3HZ LYS 30 0.996 -13.258 -14.718 257 HZ2 LYS 30 1HZ LYS 30 1.164 -12.322 -16.123 258 HZ3 LYS 30 2HZ LYS 30 1.244 -11.588 -14.592 259 H SER 31 HN SER 31 3.744 -9.424 -13.027 260 HA SER 31 HA SER 31 1.891 -8.911 -15.139 261 HB2 SER 31 2HB SER 31 1.520 -8.686 -12.145 262 HB3 SER 31 1HB SER 31 0.234 -8.775 -13.352 263 HG SER 31 HG SER 31 1.784 -10.779 -12.276 264 H ILE 32 HN ILE 32 3.890 -6.916 -13.173 265 HA ILE 32 HA ILE 32 2.350 -4.516 -13.747 266 HB ILE 32 HB ILE 32 5.077 -4.803 -12.475 267 HG12 ILE 32 2HG1 ILE 32 3.337 -5.808 -11.105 268 HG13 ILE 32 1HG1 ILE 32 3.900 -4.312 -10.370 269 HG21 ILE 32 1HG2 ILE 32 4.760 -2.485 -11.733 270 HG22 ILE 32 2HG2 ILE 32 3.270 -2.402 -12.674 271 HG23 ILE 32 3HG2 ILE 32 4.818 -2.620 -13.493 272 HD11 ILE 32 3HD1 ILE 32 1.496 -4.534 -10.191 273 HD12 ILE 32 1HD1 ILE 32 1.357 -4.662 -11.946 274 HD13 ILE 32 2HD1 ILE 32 1.918 -3.158 -11.211 275 H GLY 33 HN GLY 33 5.433 -6.002 -14.690 276 HA2 GLY 33 2HA GLY 33 5.979 -5.863 -17.095 277 HA3 GLY 33 1HA GLY 33 5.468 -4.182 -17.020 278 H VAL 34 HN VAL 34 7.329 -5.682 -14.473 279 HA VAL 34 HA VAL 34 9.714 -4.197 -15.337 280 HB VAL 34 HB VAL 34 10.146 -3.578 -12.967 281 HG11 VAL 34 1HG1 VAL 34 9.174 -1.949 -14.485 282 HG12 VAL 34 2HG1 VAL 34 8.528 -1.743 -12.855 283 HG13 VAL 34 3HG1 VAL 34 7.554 -2.535 -14.100 284 HG21 VAL 34 3HG2 VAL 34 7.340 -4.595 -12.533 285 HG22 VAL 34 1HG2 VAL 34 8.262 -3.648 -11.366 286 HG23 VAL 34 2HG2 VAL 34 8.817 -5.252 -11.838 287 H SER 35 HN SER 35 11.608 -4.851 -13.787 288 HA SER 35 HA SER 35 11.791 -7.738 -13.844 289 HB2 SER 35 2HB SER 35 13.820 -5.681 -12.917 290 HB3 SER 35 1HB SER 35 14.139 -7.378 -13.272 291 HG SER 35 HG SER 35 13.013 -6.495 -15.427 292 HA PRO 36 HA PRO 36 10.829 -8.616 -9.617 293 HB2 PRO 36 2HB PRO 36 13.014 -10.167 -8.870 294 HB3 PRO 36 1HB PRO 36 11.580 -10.765 -9.709 295 HG2 PRO 36 2HG PRO 36 14.244 -9.990 -10.823 296 HG3 PRO 36 1HG PRO 36 13.188 -11.343 -11.273 297 HD2 PRO 36 2HD PRO 36 13.330 -9.140 -12.782 298 HD3 PRO 36 1HD PRO 36 11.789 -9.991 -12.542 299 H GLN 37 HN GLN 37 14.119 -7.559 -10.305 300 HA GLN 37 HA GLN 37 14.676 -6.672 -7.652 301 HB2 GLN 37 2HB GLN 37 16.000 -6.206 -10.313 302 HB3 GLN 37 1HB GLN 37 16.581 -5.458 -8.833 303 HG2 GLN 37 2HG GLN 37 16.892 -7.683 -7.846 304 HG3 GLN 37 1HG GLN 37 16.335 -8.412 -9.350 305 HE21 GLN 37 1HE2 GLN 37 18.287 -9.512 -9.558 306 HE22 GLN 37 2HE2 GLN 37 19.737 -8.709 -10.073 307 H THR 38 HN THR 38 13.161 -5.255 -10.444 308 HA THR 38 HA THR 38 13.391 -2.526 -9.625 309 HB THR 38 HB THR 38 11.138 -3.553 -11.337 310 HG1 THR 38 1HG THR 38 13.708 -3.025 -12.430 311 HG21 THR 38 3HG2 THR 38 11.549 -1.454 -12.551 312 HG22 THR 38 1HG2 THR 38 12.880 -1.088 -11.456 313 HG23 THR 38 2HG2 THR 38 11.230 -1.165 -10.841 314 H PHE 39 HN PHE 39 11.101 -5.120 -9.291 315 HA PHE 39 HA PHE 39 9.113 -3.684 -7.862 316 HB2 PHE 39 2HB PHE 39 8.722 -5.778 -9.119 317 HB3 PHE 39 1HB PHE 39 9.717 -6.646 -7.961 318 HD1 PHE 39 1HD PHE 39 6.803 -4.304 -7.854 319 HD2 PHE 39 2HD PHE 39 8.601 -7.879 -6.409 320 HE1 PHE 39 1HE PHE 39 4.837 -4.717 -6.433 321 HE2 PHE 39 2HE PHE 39 6.642 -8.294 -4.985 322 HZ PHE 39 HZ PHE 39 4.758 -6.716 -4.994 323 H ASN 40 HN ASN 40 11.882 -5.655 -6.959 324 HA ASN 40 HA ASN 40 11.295 -5.834 -4.192 325 HB2 ASN 40 2HB ASN 40 12.738 -7.440 -5.339 326 HB3 ASN 40 1HB ASN 40 13.925 -6.180 -5.657 327 HD21 ASN 40 1HD2 ASN 40 15.417 -5.728 -4.157 328 HD22 ASN 40 2HD2 ASN 40 15.490 -6.474 -2.590 329 H THR 41 HN THR 41 13.130 -3.482 -6.084 330 HA THR 41 HA THR 41 14.278 -2.161 -3.852 331 HB THR 41 HB THR 41 14.314 -0.159 -5.546 332 HG1 THR 41 1HG THR 41 14.033 -2.240 -7.439 333 HG21 THR 41 3HG2 THR 41 16.281 -1.139 -6.658 334 HG22 THR 41 1HG2 THR 41 15.825 -2.727 -6.041 335 HG23 THR 41 2HG2 THR 41 16.279 -1.444 -4.922 336 H TRP 42 HN TRP 42 11.204 -1.816 -5.546 337 HA TRP 42 HA TRP 42 10.246 0.360 -3.981 338 HB2 TRP 42 2HB TRP 42 8.675 -1.815 -5.388 339 HB3 TRP 42 1HB TRP 42 8.014 -0.304 -4.776 340 HD1 TRP 42 1HD TRP 42 10.572 1.446 -5.991 341 HE1 TRP 42 1HE TRP 42 10.499 1.985 -8.510 342 HE3 TRP 42 3HE TRP 42 7.269 -2.163 -7.499 343 HZ2 TRP 42 2HZ TRP 42 9.199 1.018 -10.818 344 HZ3 TRP 42 3HZ TRP 42 6.661 -2.280 -9.881 345 HH2 TRP 42 2HH TRP 42 7.610 -0.724 -11.505 346 H CYS 43 HN CYS 43 10.128 -3.135 -3.696 347 HA CYS 43 HA CYS 43 8.506 -3.357 -1.433 348 HB2 CYS 43 2HB CYS 43 10.733 -5.099 -2.491 349 HB3 CYS 43 1HB CYS 43 9.663 -5.581 -1.190 350 HG CYS 43 HG CYS 43 8.610 -4.826 -4.355 351 H LYS 44 HN LYS 44 11.916 -2.652 -1.790 352 HA LYS 44 HA LYS 44 12.440 -2.836 1.033 353 HB2 LYS 44 2HB LYS 44 14.059 -1.944 -1.340 354 HB3 LYS 44 1HB LYS 44 14.658 -1.842 0.300 355 HG2 LYS 44 2HG LYS 44 14.209 -4.326 0.475 356 HG3 LYS 44 1HG LYS 44 13.968 -4.296 -1.274 357 HD2 LYS 44 2HD LYS 44 16.251 -4.934 -0.759 358 HD3 LYS 44 1HD LYS 44 16.229 -3.355 -1.546 359 HE2 LYS 44 2HE LYS 44 17.784 -3.342 0.318 360 HE3 LYS 44 1HE LYS 44 16.422 -2.272 0.653 361 HZ1 LYS 44 3HZ LYS 44 16.891 -3.551 2.600 362 HZ2 LYS 44 1HZ LYS 44 16.850 -5.005 1.729 363 HZ3 LYS 44 2HZ LYS 44 15.429 -4.111 1.957 364 H GLY 45 HN GLY 45 10.856 -0.637 -0.826 365 HA2 GLY 45 2HA GLY 45 10.220 1.542 -0.501 366 HA3 GLY 45 1HA GLY 45 10.802 1.367 1.148 367 H ILE 46 HN ILE 46 12.873 0.925 -1.632 368 HA ILE 46 HA ILE 46 14.716 2.887 -0.668 369 HB ILE 46 HB ILE 46 14.691 1.367 -3.284 370 HG12 ILE 46 2HG1 ILE 46 16.266 0.927 -0.736 371 HG13 ILE 46 1HG1 ILE 46 14.893 -0.041 -1.261 372 HG21 ILE 46 1HG2 ILE 46 15.974 3.438 -3.460 373 HG22 ILE 46 2HG2 ILE 46 17.037 2.031 -3.483 374 HG23 ILE 46 3HG2 ILE 46 16.891 3.004 -2.016 375 HD11 ILE 46 3HD1 ILE 46 16.956 -1.184 -1.746 376 HD12 ILE 46 1HD1 ILE 46 17.546 0.206 -2.659 377 HD13 ILE 46 2HD1 ILE 46 16.164 -0.718 -3.252 378 H ALA 47 HN ALA 47 12.625 2.641 -3.518 379 HA ALA 47 HA ALA 47 12.478 5.559 -3.607 380 HB1 ALA 47 1HB ALA 47 14.221 4.969 -5.206 381 HB2 ALA 47 2HB ALA 47 12.793 5.575 -6.043 382 HB3 ALA 47 3HB ALA 47 13.128 3.844 -6.006 383 H ILE 48 HN ILE 48 10.617 6.338 -4.759 384 HA ILE 48 HA ILE 48 8.444 4.366 -4.855 385 HB ILE 48 HB ILE 48 8.354 7.392 -4.744 386 HG12 ILE 48 2HG1 ILE 48 7.387 5.323 -2.765 387 HG13 ILE 48 1HG1 ILE 48 8.911 6.186 -2.636 388 HG21 ILE 48 1HG2 ILE 48 6.535 6.559 -6.141 389 HG22 ILE 48 2HG2 ILE 48 5.925 7.190 -4.612 390 HG23 ILE 48 3HG2 ILE 48 6.050 5.449 -4.859 391 HD11 ILE 48 3HD1 ILE 48 7.214 7.158 -1.195 392 HD12 ILE 48 1HD1 ILE 48 6.170 7.434 -2.591 393 HD13 ILE 48 2HD1 ILE 48 7.702 8.296 -2.451 394 HA PRO 49 HA PRO 49 8.779 4.433 -9.291 395 HB2 PRO 49 2HB PRO 49 6.358 3.294 -9.837 396 HB3 PRO 49 1HB PRO 49 7.769 2.374 -9.308 397 HG2 PRO 49 2HG PRO 49 5.450 3.366 -7.686 398 HG3 PRO 49 1HG PRO 49 6.243 1.780 -7.650 399 HD2 PRO 49 2HD PRO 49 6.775 3.665 -5.805 400 HD3 PRO 49 1HD PRO 49 8.039 2.571 -6.409 401 H ARG 50 HN ARG 50 7.486 5.230 -11.166 402 HA ARG 50 HA ARG 50 6.437 7.819 -10.540 403 HB2 ARG 50 2HB ARG 50 7.856 7.265 -12.556 404 HB3 ARG 50 1HB ARG 50 6.455 6.447 -13.230 405 HG2 ARG 50 2HG ARG 50 5.404 8.374 -13.750 406 HG3 ARG 50 1HG ARG 50 6.036 9.226 -12.339 407 HD2 ARG 50 2HD ARG 50 7.672 8.507 -14.774 408 HD3 ARG 50 1HD ARG 50 6.916 10.078 -14.508 409 HE ARG 50 HE ARG 50 8.624 9.223 -12.355 410 HH11 ARG 50 1HH1 ARG 50 8.521 10.884 -15.440 411 HH12 ARG 50 2HH1 ARG 50 9.931 11.840 -15.113 412 HH21 ARG 50 1HH2 ARG 50 10.481 10.473 -11.919 413 HH22 ARG 50 2HH2 ARG 50 11.065 11.591 -13.121 414 H MET 51 HN MET 51 4.335 8.554 -11.523 415 HA MET 51 HA MET 51 2.357 7.469 -9.963 416 HB2 MET 51 2HB MET 51 2.323 9.748 -10.828 417 HB3 MET 51 1HB MET 51 2.026 9.141 -12.451 418 HG2 MET 51 2HG MET 51 -0.124 8.259 -11.739 419 HG3 MET 51 1HG MET 51 0.172 8.828 -10.099 420 HE1 MET 51 3HE MET 51 1.636 11.627 -10.723 421 HE2 MET 51 1HE MET 51 0.422 11.410 -9.463 422 HE3 MET 51 2HE MET 51 0.256 12.723 -10.626 423 H GLY 52 HN GLY 52 2.912 6.819 -13.406 424 HA2 GLY 52 2HA GLY 52 0.499 5.485 -13.923 425 HA3 GLY 52 1HA GLY 52 1.992 5.265 -14.819 426 H LYS 53 HN LYS 53 3.639 4.156 -12.926 427 HA LYS 53 HA LYS 53 2.622 1.479 -12.932 428 HB2 LYS 53 2HB LYS 53 5.237 2.729 -12.174 429 HB3 LYS 53 1HB LYS 53 4.896 1.057 -11.748 430 HG2 LYS 53 2HG LYS 53 4.581 0.475 -14.058 431 HG3 LYS 53 1HG LYS 53 4.741 2.163 -14.544 432 HD2 LYS 53 2HD LYS 53 7.044 2.198 -13.928 433 HD3 LYS 53 1HD LYS 53 6.915 0.624 -13.139 434 HE2 LYS 53 2HE LYS 53 8.014 0.463 -15.328 435 HE3 LYS 53 1HE LYS 53 6.506 -0.447 -15.276 436 HZ1 LYS 53 3HZ LYS 53 5.412 1.324 -16.482 437 HZ2 LYS 53 1HZ LYS 53 6.772 0.798 -17.343 438 HZ3 LYS 53 2HZ LYS 53 6.826 2.258 -16.479 439 H VAL 54 HN VAL 54 2.812 4.019 -10.590 440 HA VAL 54 HA VAL 54 2.447 2.451 -8.259 441 HB VAL 54 HB VAL 54 1.466 5.261 -8.829 442 HG11 VAL 54 1HG1 VAL 54 0.232 4.248 -6.982 443 HG12 VAL 54 2HG1 VAL 54 1.316 5.510 -6.396 444 HG13 VAL 54 3HG1 VAL 54 1.750 3.813 -6.197 445 HG21 VAL 54 3HG2 VAL 54 3.906 4.997 -8.989 446 HG22 VAL 54 1HG2 VAL 54 3.928 4.326 -7.359 447 HG23 VAL 54 2HG2 VAL 54 3.434 6.000 -7.617 448 H GLN 55 HN GLN 55 0.194 3.900 -10.576 449 HA GLN 55 HA GLN 55 -2.174 3.012 -9.305 450 HB2 GLN 55 2HB GLN 55 -2.079 4.823 -11.003 451 HB3 GLN 55 1HB GLN 55 -1.719 3.620 -12.232 452 HG2 GLN 55 2HG GLN 55 -4.060 4.296 -12.272 453 HG3 GLN 55 1HG GLN 55 -3.884 2.583 -11.892 454 HE21 GLN 55 1HE2 GLN 55 -4.395 1.852 -9.833 455 HE22 GLN 55 2HE2 GLN 55 -5.294 2.811 -8.709 456 H ALA 56 HN ALA 56 0.025 1.563 -11.620 457 HA ALA 56 HA ALA 56 -1.538 -0.690 -12.299 458 HB1 ALA 56 1HB ALA 56 0.528 -1.693 -13.074 459 HB2 ALA 56 2HB ALA 56 1.471 -0.492 -12.192 460 HB3 ALA 56 3HB ALA 56 0.468 0.002 -13.557 461 H LEU 57 HN LEU 57 0.858 -0.146 -9.739 462 HA LEU 57 HA LEU 57 0.838 -2.700 -8.614 463 HB2 LEU 57 2HB LEU 57 1.221 -0.003 -7.320 464 HB3 LEU 57 1HB LEU 57 1.517 -1.524 -6.511 465 HG LEU 57 HG LEU 57 2.981 -0.572 -8.974 466 HD11 LEU 57 1HD1 LEU 57 3.565 0.795 -7.069 467 HD12 LEU 57 2HD1 LEU 57 4.894 -0.303 -7.439 468 HD13 LEU 57 3HD1 LEU 57 3.825 -0.639 -6.081 469 HD21 LEU 57 3HD2 LEU 57 4.484 -2.444 -8.521 470 HD22 LEU 57 1HD2 LEU 57 2.840 -3.011 -8.813 471 HD23 LEU 57 2HD2 LEU 57 3.470 -2.942 -7.165 472 H ALA 58 HN ALA 58 -1.130 0.146 -7.791 473 HA ALA 58 HA ALA 58 -2.690 -1.083 -5.804 474 HB1 ALA 58 1HB ALA 58 -2.556 1.344 -6.090 475 HB2 ALA 58 2HB ALA 58 -4.231 0.792 -6.106 476 HB3 ALA 58 3HB ALA 58 -3.425 1.214 -7.618 477 H ASP 59 HN ASP 59 -3.106 -0.829 -9.300 478 HA ASP 59 HA ASP 59 -5.701 -1.891 -9.485 479 HB2 ASP 59 2HB ASP 59 -4.707 -0.743 -11.357 480 HB3 ASP 59 1HB ASP 59 -3.408 -1.923 -11.454 481 H TYR 60 HN TYR 60 -2.523 -3.457 -9.649 482 HA TYR 60 HA TYR 60 -3.402 -6.056 -10.186 483 HB2 TYR 60 2HB TYR 60 -1.039 -5.373 -10.322 484 HB3 TYR 60 1HB TYR 60 -0.984 -5.216 -8.573 485 HD1 TYR 60 1HD TYR 60 -1.419 -7.655 -11.325 486 HD2 TYR 60 2HD TYR 60 -0.624 -7.096 -7.185 487 HE1 TYR 60 1HE TYR 60 -0.874 -10.042 -11.114 488 HE2 TYR 60 2HE TYR 60 -0.065 -9.480 -6.964 489 HH TYR 60 HH TYR 60 0.473 -11.514 -9.595 490 H PHE 61 HN PHE 61 -3.082 -4.327 -7.154 491 HA PHE 61 HA PHE 61 -3.774 -6.708 -5.633 492 HB2 PHE 61 2HB PHE 61 -2.888 -3.944 -4.841 493 HB3 PHE 61 1HB PHE 61 -3.504 -5.094 -3.663 494 HD1 PHE 61 1HD PHE 61 -2.301 -7.205 -3.251 495 HD2 PHE 61 2HD PHE 61 -0.702 -4.151 -5.740 496 HE1 PHE 61 1HE PHE 61 -0.072 -8.229 -3.064 497 HE2 PHE 61 2HE PHE 61 1.530 -5.165 -5.559 498 HZ PHE 61 HZ PHE 61 1.849 -7.208 -4.218 499 H ASN 62 HN ASN 62 -5.466 -4.615 -7.361 500 HA ASN 62 HA ASN 62 -7.661 -4.184 -7.572 501 HB2 ASN 62 2HB ASN 62 -8.007 -6.115 -5.270 502 HB3 ASN 62 1HB ASN 62 -9.280 -5.556 -6.346 503 HD21 ASN 62 1HD2 ASN 62 -6.577 -7.657 -5.960 504 HD22 ASN 62 2HD2 ASN 62 -6.773 -8.539 -7.435 505 H ILE 63 HN ILE 63 -5.943 -2.707 -5.550 506 HA ILE 63 HA ILE 63 -8.076 -1.762 -3.748 507 HB ILE 63 HB ILE 63 -6.226 -0.936 -2.283 508 HG12 ILE 63 2HG1 ILE 63 -4.507 -2.609 -4.132 509 HG13 ILE 63 1HG1 ILE 63 -4.449 -0.855 -3.982 510 HG21 ILE 63 1HG2 ILE 63 -6.313 -3.901 -2.822 511 HG22 ILE 63 2HG2 ILE 63 -7.398 -2.994 -1.772 512 HG23 ILE 63 3HG2 ILE 63 -5.693 -3.148 -1.353 513 HD11 ILE 63 3HD1 ILE 63 -3.715 -1.089 -1.660 514 HD12 ILE 63 1HD1 ILE 63 -2.622 -1.894 -2.784 515 HD13 ILE 63 2HD1 ILE 63 -3.761 -2.843 -1.830 516 H ASN 64 HN ASN 64 -7.417 0.553 -2.900 517 HA ASN 64 HA ASN 64 -7.230 2.262 -5.267 518 HB2 ASN 64 2HB ASN 64 -7.924 2.904 -2.385 519 HB3 ASN 64 1HB ASN 64 -7.916 4.075 -3.698 520 HD21 ASN 64 1HD2 ASN 64 -9.557 1.379 -2.265 521 HD22 ASN 64 2HD2 ASN 64 -11.025 1.537 -3.177 522 H LYS 65 HN LYS 65 -5.851 4.254 -5.107 523 HA LYS 65 HA LYS 65 -3.204 3.543 -4.385 524 HB2 LYS 65 2HB LYS 65 -2.513 5.725 -5.080 525 HB3 LYS 65 1HB LYS 65 -3.773 5.201 -6.186 526 HG2 LYS 65 2HG LYS 65 -4.554 6.864 -3.844 527 HG3 LYS 65 1HG LYS 65 -3.721 7.639 -5.190 528 HD2 LYS 65 2HD LYS 65 -6.170 5.925 -5.553 529 HD3 LYS 65 1HD LYS 65 -6.252 7.667 -5.279 530 HE2 LYS 65 2HE LYS 65 -4.728 6.352 -7.526 531 HE3 LYS 65 1HE LYS 65 -6.349 7.028 -7.681 532 HZ1 LYS 65 3HZ LYS 65 -5.396 9.189 -6.959 533 HZ2 LYS 65 1HZ LYS 65 -4.777 8.637 -8.443 534 HZ3 LYS 65 2HZ LYS 65 -3.848 8.497 -7.030 535 H SER 66 HN SER 66 -5.732 5.328 -2.768 536 HA SER 66 HA SER 66 -4.164 6.477 -0.722 537 HB2 SER 66 2HB SER 66 -7.089 5.708 -0.574 538 HB3 SER 66 1HB SER 66 -6.265 6.953 0.366 539 HG SER 66 HG SER 66 -7.492 7.748 -1.458 540 H ASP 67 HN ASP 67 -5.288 3.273 -1.259 541 HA ASP 67 HA ASP 67 -5.374 2.440 1.477 542 HB2 ASP 67 2HB ASP 67 -6.622 1.310 -0.379 543 HB3 ASP 67 1HB ASP 67 -5.083 0.719 -0.992 544 H LEU 68 HN LEU 68 -2.933 2.741 -0.954 545 HA LEU 68 HA LEU 68 -0.985 1.232 0.604 546 HB2 LEU 68 2HB LEU 68 -0.844 2.560 -2.095 547 HB3 LEU 68 1HB LEU 68 0.546 1.831 -1.316 548 HG LEU 68 HG LEU 68 -1.976 0.351 -2.072 549 HD11 LEU 68 1HD1 LEU 68 0.738 0.400 -3.380 550 HD12 LEU 68 2HD1 LEU 68 -0.750 1.075 -4.042 551 HD13 LEU 68 3HD1 LEU 68 -0.595 -0.667 -3.818 552 HD21 LEU 68 3HD2 LEU 68 -0.849 -0.629 -0.154 553 HD22 LEU 68 1HD2 LEU 68 0.685 -0.620 -1.027 554 HD23 LEU 68 2HD2 LEU 68 -0.641 -1.648 -1.579 555 H ILE 69 HN ILE 69 -1.704 4.536 -0.379 556 HA ILE 69 HA ILE 69 0.702 5.680 0.617 557 HB ILE 69 HB ILE 69 -1.977 6.980 0.103 558 HG12 ILE 69 2HG1 ILE 69 -1.033 5.981 -1.909 559 HG13 ILE 69 1HG1 ILE 69 -0.933 7.738 -2.002 560 HG21 ILE 69 1HG2 ILE 69 -0.732 9.091 0.021 561 HG22 ILE 69 2HG2 ILE 69 0.728 8.236 0.520 562 HG23 ILE 69 3HG2 ILE 69 -0.653 8.337 1.617 563 HD11 ILE 69 3HD1 ILE 69 1.088 6.662 -2.839 564 HD12 ILE 69 1HD1 ILE 69 1.335 5.892 -1.273 565 HD13 ILE 69 2HD1 ILE 69 1.427 7.649 -1.419 566 H GLU 70 HN GLU 70 -2.576 5.408 1.969 567 HA GLU 70 HA GLU 70 -1.650 6.419 4.525 568 HB2 GLU 70 2HB GLU 70 -4.382 5.441 3.692 569 HB3 GLU 70 1HB GLU 70 -3.987 6.346 5.135 570 HG2 GLU 70 2HG GLU 70 -3.748 7.369 2.323 571 HG3 GLU 70 1HG GLU 70 -5.063 7.729 3.438 572 H ASP 71 HN ASP 71 -1.878 5.156 6.468 573 HA ASP 71 HA ASP 71 -1.613 2.290 5.989 574 HB2 ASP 71 2HB ASP 71 -0.036 3.600 7.529 575 HB3 ASP 71 1HB ASP 71 -1.379 3.671 8.664 576 H LYS 72 HN LYS 72 -2.871 0.767 7.265 577 HA LYS 72 HA LYS 72 -5.635 1.584 6.914 578 HB2 LYS 72 2HB LYS 72 -4.695 -1.179 7.627 579 HB3 LYS 72 1HB LYS 72 -6.139 -0.704 6.738 580 HG2 LYS 72 2HG LYS 72 -4.723 0.064 4.883 581 HG3 LYS 72 1HG LYS 72 -3.299 -0.484 5.770 582 HD2 LYS 72 2HD LYS 72 -4.431 -2.777 5.812 583 HD3 LYS 72 1HD LYS 72 -5.511 -2.122 4.575 584 HE2 LYS 72 2HE LYS 72 -2.513 -2.368 4.429 585 HE3 LYS 72 1HE LYS 72 -3.696 -3.285 3.502 586 HZ1 LYS 72 3HZ LYS 72 -2.569 -1.353 2.354 587 HZ2 LYS 72 1HZ LYS 72 -3.505 -0.334 3.324 588 HZ3 LYS 72 2HZ LYS 72 -4.263 -1.396 2.244 589 H LYS 73 HN LYS 73 -4.114 2.430 9.331 590 HA LYS 73 HA LYS 73 -5.553 1.069 11.471 591 HB2 LYS 73 2HB LYS 73 -3.347 3.115 11.411 592 HB3 LYS 73 1HB LYS 73 -4.237 2.789 12.887 593 HG2 LYS 73 2HG LYS 73 -2.192 1.536 12.896 594 HG3 LYS 73 1HG LYS 73 -3.547 0.419 12.733 595 HD2 LYS 73 2HD LYS 73 -3.163 0.277 10.336 596 HD3 LYS 73 1HD LYS 73 -1.842 1.438 10.464 597 HE2 LYS 73 2HE LYS 73 -0.591 -0.119 11.856 598 HE3 LYS 73 1HE LYS 73 -1.925 -1.271 11.784 599 HZ1 LYS 73 3HZ LYS 73 -1.614 -1.487 9.424 600 HZ2 LYS 73 1HZ LYS 73 -0.138 -1.788 10.204 601 HZ3 LYS 73 2HZ LYS 73 -0.398 -0.301 9.425 602 H LEU 74 HN LEU 74 -6.646 2.942 9.339 603 HA LEU 74 HA LEU 74 -7.516 5.290 10.681 604 HB2 LEU 74 2HB LEU 74 -8.474 3.996 8.131 605 HB3 LEU 74 1HB LEU 74 -8.930 5.588 8.682 606 HG LEU 74 HG LEU 74 -6.138 4.741 7.929 607 HD11 LEU 74 1HD1 LEU 74 -7.600 4.881 5.997 608 HD12 LEU 74 2HD1 LEU 74 -6.450 6.219 6.002 609 HD13 LEU 74 3HD1 LEU 74 -8.125 6.493 6.487 610 HD21 LEU 74 3HD2 LEU 74 -7.232 7.449 8.697 611 HD22 LEU 74 1HD2 LEU 74 -5.595 7.121 8.129 612 HD23 LEU 74 2HD2 LEU 74 -6.145 6.455 9.665 613 H ASN 75 HN ASN 75 -8.353 4.160 12.568 614 HA ASN 75 HA ASN 75 -10.972 2.918 12.208 615 HB2 ASN 75 2HB ASN 75 -9.056 2.183 13.877 616 HB3 ASN 75 1HB ASN 75 -9.722 3.460 14.886 617 HD21 ASN 75 1HD2 ASN 75 -10.231 0.317 13.531 618 HD22 ASN 75 2HD2 ASN 75 -11.647 -0.082 14.452 619 H ILE 76 HN ILE 76 -12.134 3.841 14.646 620 HA ILE 76 HA ILE 76 -13.339 6.224 13.712 621 HB ILE 76 HB ILE 76 -13.426 5.098 16.513 622 HG12 ILE 76 2HG1 ILE 76 -14.136 3.413 14.896 623 HG13 ILE 76 1HG1 ILE 76 -15.525 4.004 15.797 624 HG21 ILE 76 1HG2 ILE 76 -15.271 6.994 15.078 625 HG22 ILE 76 2HG2 ILE 76 -14.208 7.382 16.431 626 HG23 ILE 76 3HG2 ILE 76 -15.576 6.291 16.667 627 HD11 ILE 76 3HD1 ILE 76 -16.055 3.730 13.443 628 HD12 ILE 76 1HD1 ILE 76 -14.749 4.834 13.009 629 HD13 ILE 76 2HD1 ILE 76 -16.143 5.432 13.911 630 H ASP 77 HN ASP 77 -12.796 8.256 13.956 631 HA ASP 77 HA ASP 77 -11.430 9.307 16.209 632 HB2 ASP 77 2HB ASP 77 -9.503 8.337 14.938 633 HB3 ASP 77 1HB ASP 77 -9.935 9.365 13.571 634 H THR 78 HN THR 78 -12.328 11.183 16.480 635 HA THR 78 HA THR 78 -14.328 12.257 15.009 636 HB THR 78 HB THR 78 -13.661 14.487 16.168 637 HG1 THR 78 1HG THR 78 -11.437 13.589 16.530 638 HG21 THR 78 3HG2 THR 78 -14.532 13.633 18.306 639 HG22 THR 78 1HG2 THR 78 -14.300 11.981 17.729 640 HG23 THR 78 2HG2 THR 78 -15.463 13.042 16.930 641 H VAL 79 HN VAL 79 -14.446 12.997 13.037 642 HA VAL 79 HA VAL 79 -12.277 14.728 12.047 643 HB VAL 79 HB VAL 79 -12.263 12.767 10.694 644 HG11 VAL 79 1HG1 VAL 79 -14.204 11.916 9.493 645 HG12 VAL 79 2HG1 VAL 79 -15.221 13.137 10.256 646 HG13 VAL 79 3HG1 VAL 79 -14.461 11.883 11.236 647 HG21 VAL 79 3HG2 VAL 79 -13.689 14.989 9.236 648 HG22 VAL 79 1HG2 VAL 79 -12.828 13.655 8.464 649 HG23 VAL 79 2HG2 VAL 79 -11.946 14.815 9.459 650 HA PRO 80 HA PRO 80 -15.935 17.396 12.585 651 HB2 PRO 80 2HB PRO 80 -14.544 19.636 13.148 652 HB3 PRO 80 1HB PRO 80 -14.842 18.382 14.356 653 HG2 PRO 80 2HG PRO 80 -12.390 18.877 12.713 654 HG3 PRO 80 1HG PRO 80 -12.520 18.488 14.438 655 HD2 PRO 80 2HD PRO 80 -11.908 16.637 12.552 656 HD3 PRO 80 1HD PRO 80 -12.792 16.241 14.041 657 H ILE 81 HN ILE 81 -16.636 19.361 11.486 658 HA ILE 81 HA ILE 81 -15.836 19.434 8.738 659 HB ILE 81 HB ILE 81 -17.587 21.430 10.162 660 HG12 ILE 81 2HG1 ILE 81 -18.455 18.880 8.788 661 HG13 ILE 81 1HG1 ILE 81 -18.336 19.062 10.535 662 HG21 ILE 81 1HG2 ILE 81 -17.452 20.569 7.276 663 HG22 ILE 81 2HG2 ILE 81 -16.846 22.089 7.936 664 HG23 ILE 81 3HG2 ILE 81 -18.577 21.749 7.949 665 HD11 ILE 81 3HD1 ILE 81 -20.629 19.296 9.793 666 HD12 ILE 81 1HD1 ILE 81 -20.164 20.605 8.705 667 HD13 ILE 81 2HD1 ILE 81 -20.041 20.823 10.451 668 H GLU 82 HN GLU 82 -14.345 20.695 7.845 669 HA GLU 82 HA GLU 82 -13.044 22.712 9.523 670 HB2 GLU 82 2HB GLU 82 -12.084 21.395 6.971 671 HB3 GLU 82 1HB GLU 82 -11.161 22.531 7.945 672 HG2 GLU 82 2HG GLU 82 -11.181 20.963 9.811 673 HG3 GLU 82 1HG GLU 82 -12.126 19.827 8.851 674 H SER 83 HN SER 83 -11.879 24.335 7.690 675 HA SER 83 HA SER 83 -14.005 26.028 6.900 676 HB2 SER 83 2HB SER 83 -11.057 26.053 6.229 677 HB3 SER 83 1HB SER 83 -12.178 27.317 5.722 678 HG SER 83 HG SER 83 -12.456 27.941 7.780 679 H GLY 84 HN GLY 84 -15.276 25.872 5.213 680 HA2 GLY 84 2HA GLY 84 -14.354 24.333 2.869 681 HA3 GLY 84 1HA GLY 84 -16.038 24.495 3.358 682 H TYR 85 HN TYR 85 -16.962 25.528 1.689 683 HA TYR 85 HA TYR 85 -15.996 28.235 1.146 684 HB2 TYR 85 2HB TYR 85 -16.573 26.159 -0.971 685 HB3 TYR 85 1HB TYR 85 -16.470 27.884 -1.310 686 HD1 TYR 85 1HD TYR 85 -14.278 29.064 -0.591 687 HD2 TYR 85 2HD TYR 85 -14.647 24.851 -1.051 688 HE1 TYR 85 1HE TYR 85 -11.837 28.882 -0.807 689 HE2 TYR 85 2HE TYR 85 -12.204 24.655 -1.267 690 HH TYR 85 HH TYR 85 -10.277 26.145 -1.954 691 H THR 86 HN THR 86 -17.742 29.142 -0.602 692 HA THR 86 HA THR 86 -20.140 29.315 0.965 693 HB THR 86 HB THR 86 -19.061 31.272 -0.194 694 HG1 THR 86 1HG THR 86 -21.007 31.967 0.201 695 HG21 THR 86 3HG2 THR 86 -18.507 30.211 -2.317 696 HG22 THR 86 1HG2 THR 86 -19.547 31.614 -2.579 697 HG23 THR 86 2HG2 THR 86 -20.220 29.987 -2.670 698 H LEU 87 HN LEU 87 -22.322 29.224 -0.232 699 HA LEU 87 HA LEU 87 -22.559 26.620 -1.415 700 HB2 LEU 87 2HB LEU 87 -24.991 27.171 -1.540 701 HB3 LEU 87 1HB LEU 87 -24.297 27.251 0.064 702 HG LEU 87 HG LEU 87 -24.118 29.798 -0.379 703 HD11 LEU 87 1HD1 LEU 87 -26.191 29.033 -2.428 704 HD12 LEU 87 2HD1 LEU 87 -24.614 29.754 -2.754 705 HD13 LEU 87 3HD1 LEU 87 -25.840 30.674 -1.885 706 HD21 LEU 87 3HD2 LEU 87 -25.596 28.786 1.266 707 HD22 LEU 87 1HD2 LEU 87 -26.788 28.454 0.007 708 HD23 LEU 87 2HD2 LEU 87 -26.402 30.122 0.438 709 H GLU 88 HN GLU 88 -24.009 26.382 -3.409 710 HA GLU 88 HA GLU 88 -22.702 27.927 -5.509 711 HB2 GLU 88 2HB GLU 88 -23.605 26.144 -7.004 712 HB3 GLU 88 1HB GLU 88 -22.542 25.542 -5.743 713 HG2 GLU 88 2HG GLU 88 -24.477 24.850 -4.425 714 HG3 GLU 88 1HG GLU 88 -25.547 25.461 -5.687 715 H HIS 89 HN HIS 89 -23.781 29.146 -7.024 716 HA HIS 89 HA HIS 89 -26.397 30.074 -6.388 717 HB2 HIS 89 2HB HIS 89 -26.197 31.543 -8.210 718 HB3 HIS 89 1HB HIS 89 -24.546 31.348 -7.646 719 HD1 HIS 89 1HD HIS 89 -26.562 31.251 -10.621 720 HD2 HIS 89 2HD HIS 89 -23.051 29.415 -9.345 721 HE1 HIS 89 1HE HIS 89 -25.437 30.409 -12.705 722 HE2 HIS 89 2HE HIS 89 -23.232 29.478 -11.930 723 H HIS 90 HN HIS 90 -28.239 29.973 -7.974 724 HA HIS 90 HA HIS 90 -28.460 27.143 -8.740 725 HB2 HIS 90 2HB HIS 90 -30.678 29.102 -8.114 726 HB3 HIS 90 1HB HIS 90 -30.864 27.377 -8.424 727 HD1 HIS 90 1HD HIS 90 -29.074 25.963 -6.639 728 HD2 HIS 90 2HD HIS 90 -30.787 29.567 -5.478 729 HE1 HIS 90 1HE HIS 90 -28.934 26.002 -4.127 730 HE2 HIS 90 2HE HIS 90 -29.718 28.315 -3.488 731 H HIS 91 HN HIS 91 -29.896 26.614 -10.535 732 HA HIS 91 HA HIS 91 -29.056 27.886 -12.900 733 HB2 HIS 91 2HB HIS 91 -29.762 25.479 -12.637 734 HB3 HIS 91 1HB HIS 91 -31.428 26.041 -12.577 735 HD1 HIS 91 1HD HIS 91 -28.902 24.889 -14.877 736 HD2 HIS 91 2HD HIS 91 -32.193 27.427 -15.088 737 HE1 HIS 91 1HE HIS 91 -29.444 25.104 -17.326 738 HE2 HIS 91 2HE HIS 91 -31.377 26.718 -17.436 739 H HIS 92 HN HIS 92 -32.448 27.526 -11.828 740 HA HIS 92 HA HIS 92 -33.189 30.206 -11.869 741 HB2 HIS 92 2HB HIS 92 -32.520 29.780 -14.378 742 HB3 HIS 92 1HB HIS 92 -34.073 28.958 -14.462 743 HD1 HIS 92 1HD HIS 92 -32.532 32.203 -14.789 744 HD2 HIS 92 2HD HIS 92 -36.300 30.783 -13.742 745 HE1 HIS 92 1HE HIS 92 -34.107 34.136 -15.128 746 HE2 HIS 92 2HE HIS 92 -36.399 33.189 -14.688 747 H HIS 93 HN HIS 93 -35.032 28.041 -13.839 748 HA HIS 93 HA HIS 93 -36.342 26.722 -11.613 749 HB2 HIS 93 2HB HIS 93 -37.857 28.465 -13.575 750 HB3 HIS 93 1HB HIS 93 -38.628 27.187 -12.643 751 HD1 HIS 93 1HD HIS 93 -38.502 30.621 -12.595 752 HD2 HIS 93 2HD HIS 93 -37.724 27.773 -9.665 753 HE1 HIS 93 1HE HIS 93 -38.780 31.814 -10.395 754 HE2 HIS 93 2HE HIS 93 -38.132 30.118 -8.645 755 H HIS 94 HN HIS 94 -36.720 27.317 -15.102 756 HA HIS 94 HA HIS 94 -36.038 24.496 -15.577 757 HB2 HIS 94 2HB HIS 94 -38.317 26.045 -16.814 758 HB3 HIS 94 1HB HIS 94 -37.640 24.608 -17.566 759 HD1 HIS 94 1HD HIS 94 -40.608 25.005 -16.362 760 HD2 HIS 94 2HD HIS 94 -37.453 22.876 -14.678 761 HE1 HIS 94 1HE HIS 94 -41.667 23.326 -14.813 762 HE2 HIS 94 2HE HIS 94 -39.747 21.994 -13.871 Start of MODEL 15 1 H1 MET 1 H1 MET 1 19.042 6.689 12.243 2 H2 MET 1 H2 MET 1 17.763 5.590 12.047 3 H3 MET 1 H3 MET 1 17.525 7.031 12.915 4 HA MET 1 HA MET 1 17.902 8.329 10.922 5 HB2 MET 1 2HB MET 1 18.084 5.600 9.632 6 HB3 MET 1 1HB MET 1 17.889 7.101 8.742 7 HG2 MET 1 2HG MET 1 20.030 7.894 9.673 8 HG3 MET 1 1HG MET 1 20.229 6.327 10.464 9 HE1 MET 1 2HE MET 1 22.633 6.211 9.265 10 HE2 MET 1 3HE MET 1 22.338 7.721 8.400 11 HE3 MET 1 1HE MET 1 22.853 6.281 7.516 12 H VAL 2 HN VAL 2 16.180 8.682 9.316 13 HA VAL 2 HA VAL 2 13.742 7.139 9.930 14 HB VAL 2 HB VAL 2 12.426 9.162 9.331 15 HG11 VAL 2 1HG1 VAL 2 12.845 8.597 11.661 16 HG12 VAL 2 2HG1 VAL 2 12.817 10.346 11.443 17 HG13 VAL 2 3HG1 VAL 2 14.356 9.505 11.627 18 HG21 VAL 2 3HG2 VAL 2 15.121 10.536 9.371 19 HG22 VAL 2 1HG2 VAL 2 13.561 11.357 9.330 20 HG23 VAL 2 2HG2 VAL 2 14.059 10.346 7.976 21 H LYS 3 HN LYS 3 15.760 8.615 7.506 22 HA LYS 3 HA LYS 3 16.013 8.283 5.286 23 HB2 LYS 3 2HB LYS 3 14.119 5.953 5.642 24 HB3 LYS 3 1HB LYS 3 15.132 6.253 4.235 25 HG2 LYS 3 2HG LYS 3 17.126 6.057 5.701 26 HG3 LYS 3 1HG LYS 3 16.052 5.609 7.025 27 HD2 LYS 3 2HD LYS 3 16.393 4.121 4.424 28 HD3 LYS 3 1HD LYS 3 17.023 3.629 5.995 29 HE2 LYS 3 2HE LYS 3 14.724 3.465 6.847 30 HE3 LYS 3 1HE LYS 3 14.112 3.922 5.258 31 HZ1 LYS 3 3HZ LYS 3 15.673 1.480 5.915 32 HZ2 LYS 3 1HZ LYS 3 15.200 1.926 4.349 33 HZ3 LYS 3 2HZ LYS 3 14.027 1.543 5.514 34 H ASP 4 HN ASP 4 12.628 7.231 5.560 35 HA ASP 4 HA ASP 4 11.553 9.741 4.778 36 HB2 ASP 4 2HB ASP 4 12.389 8.991 2.558 37 HB3 ASP 4 1HB ASP 4 11.395 7.543 2.699 38 H LYS 5 HN LYS 5 9.508 9.854 5.476 39 HA LYS 5 HA LYS 5 8.609 7.690 7.083 40 HB2 LYS 5 2HB LYS 5 6.680 9.167 7.608 41 HB3 LYS 5 1HB LYS 5 8.247 9.910 7.879 42 HG2 LYS 5 2HG LYS 5 7.999 11.082 5.699 43 HG3 LYS 5 1HG LYS 5 6.367 10.415 5.579 44 HD2 LYS 5 2HD LYS 5 5.782 11.515 7.699 45 HD3 LYS 5 1HD LYS 5 7.401 12.212 7.773 46 HE2 LYS 5 2HE LYS 5 6.966 13.377 5.642 47 HE3 LYS 5 1HE LYS 5 5.331 12.716 5.637 48 HZ1 LYS 5 3HZ LYS 5 6.494 14.640 7.579 49 HZ2 LYS 5 1HZ LYS 5 5.004 13.858 7.818 50 HZ3 LYS 5 2HZ LYS 5 5.208 14.903 6.502 51 H GLN 6 HN GLN 6 7.280 9.125 4.076 52 HA GLN 6 HA GLN 6 5.046 7.345 4.131 53 HB2 GLN 6 2HB GLN 6 4.416 8.306 2.015 54 HB3 GLN 6 1HB GLN 6 4.897 9.580 3.114 55 HG2 GLN 6 2HG GLN 6 7.071 9.713 1.989 56 HG3 GLN 6 1HG GLN 6 6.553 8.457 0.866 57 HE21 GLN 6 1HE2 GLN 6 6.192 11.754 1.848 58 HE22 GLN 6 2HE2 GLN 6 5.321 12.293 0.458 59 H LYS 7 HN LYS 7 8.205 7.360 2.629 60 HA LYS 7 HA LYS 7 7.849 5.212 0.852 61 HB2 LYS 7 2HB LYS 7 9.830 6.686 0.869 62 HB3 LYS 7 1HB LYS 7 10.328 5.987 2.404 63 HG2 LYS 7 2HG LYS 7 10.533 3.791 1.305 64 HG3 LYS 7 1HG LYS 7 10.125 4.551 -0.235 65 HD2 LYS 7 2HD LYS 7 12.481 5.309 1.493 66 HD3 LYS 7 1HD LYS 7 12.562 4.235 0.097 67 HE2 LYS 7 2HE LYS 7 11.743 6.062 -1.332 68 HE3 LYS 7 1HE LYS 7 11.710 7.127 0.073 69 HZ1 LYS 7 3HZ LYS 7 14.083 6.902 0.297 70 HZ2 LYS 7 1HZ LYS 7 13.711 7.419 -1.276 71 HZ3 LYS 7 2HZ LYS 7 14.148 5.801 -0.990 72 H ALA 8 HN ALA 8 8.754 5.302 4.275 73 HA ALA 8 HA ALA 8 9.184 2.517 4.569 74 HB1 ALA 8 1HB ALA 8 8.395 4.545 6.663 75 HB2 ALA 8 2HB ALA 8 10.043 4.158 6.166 76 HB3 ALA 8 3HB ALA 8 9.056 2.937 6.971 77 H ILE 9 HN ILE 9 6.326 4.555 5.053 78 HA ILE 9 HA ILE 9 4.644 2.478 5.975 79 HB ILE 9 HB ILE 9 3.865 4.989 4.484 80 HG12 ILE 9 2HG1 ILE 9 3.977 4.448 7.461 81 HG13 ILE 9 1HG1 ILE 9 5.144 5.420 6.568 82 HG21 ILE 9 1HG2 ILE 9 2.081 3.337 4.454 83 HG22 ILE 9 2HG2 ILE 9 1.664 4.666 5.535 84 HG23 ILE 9 3HG2 ILE 9 2.219 3.130 6.201 85 HD11 ILE 9 3HD1 ILE 9 3.380 7.011 6.005 86 HD12 ILE 9 1HD1 ILE 9 3.551 6.817 7.749 87 HD13 ILE 9 2HD1 ILE 9 2.214 6.035 6.902 88 H PHE 10 HN PHE 10 5.081 3.887 2.734 89 HA PHE 10 HA PHE 10 3.233 2.323 1.368 90 HB2 PHE 10 2HB PHE 10 4.249 4.281 0.355 91 HB3 PHE 10 1HB PHE 10 5.834 3.515 0.386 92 HD1 PHE 10 1HD PHE 10 2.432 3.194 -1.068 93 HD2 PHE 10 2HD PHE 10 6.564 2.232 -1.419 94 HE1 PHE 10 1HE PHE 10 2.025 2.273 -3.309 95 HE2 PHE 10 2HE PHE 10 6.159 1.310 -3.665 96 HZ PHE 10 HZ PHE 10 3.888 1.333 -4.610 97 H SER 11 HN SER 11 6.711 1.730 1.849 98 HA SER 11 HA SER 11 6.827 -0.630 0.335 99 HB2 SER 11 2HB SER 11 8.923 -1.085 1.673 100 HB3 SER 11 1HB SER 11 8.870 0.479 0.862 101 HG SER 11 HG SER 11 8.541 1.483 2.772 102 H GLU 12 HN GLU 12 6.322 -0.140 3.824 103 HA GLU 12 HA GLU 12 6.194 -2.888 4.449 104 HB2 GLU 12 2HB GLU 12 5.835 -0.312 5.775 105 HB3 GLU 12 1HB GLU 12 4.841 -1.592 6.435 106 HG2 GLU 12 2HG GLU 12 6.777 -2.957 6.848 107 HG3 GLU 12 1HG GLU 12 7.810 -1.783 6.032 108 H ASN 13 HN ASN 13 3.683 -0.448 3.800 109 HA ASN 13 HA ASN 13 1.452 -2.067 4.308 110 HB2 ASN 13 2HB ASN 13 1.881 0.336 2.559 111 HB3 ASN 13 1HB ASN 13 0.344 -0.518 2.524 112 HD21 ASN 13 1HD2 ASN 13 -0.739 1.264 3.333 113 HD22 ASN 13 2HD2 ASN 13 -0.605 1.758 4.983 114 H LEU 14 HN LEU 14 3.110 -1.428 1.218 115 HA LEU 14 HA LEU 14 1.534 -3.195 -0.309 116 HB2 LEU 14 2HB LEU 14 2.963 -1.443 -1.281 117 HB3 LEU 14 1HB LEU 14 4.390 -2.310 -0.749 118 HG LEU 14 HG LEU 14 3.762 -4.193 -2.244 119 HD11 LEU 14 1HD1 LEU 14 2.065 -3.832 -3.958 120 HD12 LEU 14 2HD1 LEU 14 1.638 -2.287 -3.221 121 HD13 LEU 14 3HD1 LEU 14 1.360 -3.791 -2.342 122 HD21 LEU 14 3HD2 LEU 14 5.368 -2.523 -2.977 123 HD22 LEU 14 1HD2 LEU 14 4.061 -1.501 -3.572 124 HD23 LEU 14 2HD2 LEU 14 4.374 -3.062 -4.330 125 H ASN 15 HN ASN 15 4.535 -3.632 1.481 126 HA ASN 15 HA ASN 15 5.290 -6.153 0.585 127 HB2 ASN 15 2HB ASN 15 6.569 -4.546 2.091 128 HB3 ASN 15 1HB ASN 15 5.615 -5.182 3.427 129 HD21 ASN 15 1HD2 ASN 15 8.127 -5.817 1.140 130 HD22 ASN 15 2HD2 ASN 15 8.704 -7.273 1.865 131 H SER 16 HN SER 16 3.106 -5.288 3.257 132 HA SER 16 HA SER 16 2.772 -7.883 4.262 133 HB2 SER 16 2HB SER 16 0.766 -7.013 5.389 134 HB3 SER 16 1HB SER 16 2.108 -5.880 5.516 135 HG SER 16 HG SER 16 1.160 -4.681 3.812 136 H TYR 17 HN TYR 17 0.807 -6.086 1.895 137 HA TYR 17 HA TYR 17 -1.129 -8.076 1.474 138 HB2 TYR 17 2HB TYR 17 -0.103 -5.879 -0.326 139 HB3 TYR 17 1HB TYR 17 -1.428 -6.942 -0.785 140 HD1 TYR 17 2HD TYR 17 -3.444 -7.036 0.833 141 HD2 TYR 17 1HD TYR 17 -0.546 -3.924 0.862 142 HE1 TYR 17 2HE TYR 17 -5.043 -5.567 1.981 143 HE2 TYR 17 1HE TYR 17 -2.138 -2.445 2.012 144 HH TYR 17 HH TYR 17 -4.491 -2.188 2.371 145 H ILE 18 HN ILE 18 2.021 -7.544 -0.016 146 HA ILE 18 HA ILE 18 1.813 -9.506 -2.029 147 HB ILE 18 HB ILE 18 4.275 -8.469 -0.602 148 HG12 ILE 18 2HG1 ILE 18 3.082 -7.654 -3.263 149 HG13 ILE 18 1HG1 ILE 18 2.875 -6.759 -1.762 150 HG21 ILE 18 1HG2 ILE 18 4.049 -9.972 -3.201 151 HG22 ILE 18 2HG2 ILE 18 4.756 -10.575 -1.699 152 HG23 ILE 18 3HG2 ILE 18 5.523 -9.239 -2.565 153 HD11 ILE 18 3HD1 ILE 18 5.284 -6.395 -1.646 154 HD12 ILE 18 1HD1 ILE 18 4.598 -5.769 -3.146 155 HD13 ILE 18 2HD1 ILE 18 5.487 -7.292 -3.151 156 H ALA 19 HN ALA 19 3.185 -9.644 1.254 157 HA ALA 19 HA ALA 19 3.952 -12.362 1.131 158 HB1 ALA 19 1HB ALA 19 4.884 -10.768 2.746 159 HB2 ALA 19 2HB ALA 19 4.245 -12.213 3.530 160 HB3 ALA 19 3HB ALA 19 3.325 -10.709 3.570 161 H LYS 20 HN LYS 20 0.962 -10.772 2.029 162 HA LYS 20 HA LYS 20 -0.255 -13.091 3.161 163 HB2 LYS 20 2HB LYS 20 -1.280 -10.405 2.273 164 HB3 LYS 20 1HB LYS 20 -2.345 -11.649 2.900 165 HG2 LYS 20 2HG LYS 20 -1.110 -11.675 4.995 166 HG3 LYS 20 1HG LYS 20 -0.012 -10.446 4.363 167 HD2 LYS 20 2HD LYS 20 -1.862 -8.877 4.167 168 HD3 LYS 20 1HD LYS 20 -2.983 -10.108 4.753 169 HE2 LYS 20 2HE LYS 20 -0.675 -8.907 6.275 170 HE3 LYS 20 1HE LYS 20 -2.386 -8.581 6.544 171 HZ1 LYS 20 3HZ LYS 20 -2.652 -10.971 7.071 172 HZ2 LYS 20 1HZ LYS 20 -1.644 -10.149 8.160 173 HZ3 LYS 20 2HZ LYS 20 -0.969 -11.152 6.979 174 H SER 21 HN SER 21 -0.077 -11.686 -0.031 175 HA SER 21 HA SER 21 -2.180 -13.303 -1.124 176 HB2 SER 21 2HB SER 21 -1.541 -11.087 -2.070 177 HB3 SER 21 1HB SER 21 0.006 -11.776 -2.566 178 HG SER 21 HG SER 21 -1.710 -13.417 -3.549 179 H GLU 22 HN GLU 22 1.004 -13.858 -0.227 180 HA GLU 22 HA GLU 22 2.398 -15.630 -0.364 181 HB2 GLU 22 2HB GLU 22 -0.014 -16.974 -1.578 182 HB3 GLU 22 1HB GLU 22 1.478 -17.813 -1.181 183 HG2 GLU 22 2HG GLU 22 1.187 -17.184 1.173 184 HG3 GLU 22 1HG GLU 22 -0.333 -16.391 0.753 185 H LYS 23 HN LYS 23 1.768 -13.755 -2.761 186 HA LYS 23 HA LYS 23 2.811 -15.326 -4.947 187 HB2 LYS 23 2HB LYS 23 1.938 -12.459 -4.659 188 HB3 LYS 23 1HB LYS 23 2.701 -13.067 -6.109 189 HG2 LYS 23 2HG LYS 23 0.087 -13.970 -4.935 190 HG3 LYS 23 1HG LYS 23 0.324 -13.035 -6.411 191 HD2 LYS 23 2HD LYS 23 1.686 -15.009 -7.262 192 HD3 LYS 23 1HD LYS 23 1.031 -15.913 -5.894 193 HE2 LYS 23 2HE LYS 23 -0.351 -16.366 -7.790 194 HE3 LYS 23 1HE LYS 23 -1.260 -15.316 -6.704 195 HZ1 LYS 23 3HZ LYS 23 0.202 -14.460 -9.147 196 HZ2 LYS 23 1HZ LYS 23 -0.639 -13.429 -8.095 197 HZ3 LYS 23 2HZ LYS 23 -1.486 -14.591 -8.988 198 H THR 24 HN THR 24 4.813 -14.909 -5.944 199 HA THR 24 HA THR 24 6.856 -13.897 -4.185 200 HB THR 24 HB THR 24 8.404 -14.473 -6.049 201 HG1 THR 24 1HG THR 24 7.225 -15.850 -7.723 202 HG21 THR 24 3HG2 THR 24 8.085 -16.906 -5.927 203 HG22 THR 24 1HG2 THR 24 6.467 -16.654 -5.271 204 HG23 THR 24 2HG2 THR 24 7.882 -16.143 -4.349 205 H GLN 25 HN GLN 25 8.383 -12.244 -4.868 206 HA GLN 25 HA GLN 25 7.188 -9.880 -5.802 207 HB2 GLN 25 2HB GLN 25 10.109 -10.677 -5.764 208 HB3 GLN 25 1HB GLN 25 9.510 -9.042 -5.992 209 HG2 GLN 25 2HG GLN 25 8.484 -9.121 -3.758 210 HG3 GLN 25 1HG GLN 25 9.134 -10.743 -3.536 211 HE21 GLN 25 1HE2 GLN 25 9.846 -7.365 -3.683 212 HE22 GLN 25 2HE2 GLN 25 11.462 -7.471 -3.067 213 H LEU 26 HN LEU 26 8.983 -12.410 -7.382 214 HA LEU 26 HA LEU 26 9.228 -11.289 -9.942 215 HB2 LEU 26 2HB LEU 26 10.036 -13.582 -8.684 216 HB3 LEU 26 1HB LEU 26 8.834 -14.193 -9.803 217 HG LEU 26 HG LEU 26 11.162 -12.477 -10.634 218 HD11 LEU 26 1HD1 LEU 26 10.882 -15.476 -10.707 219 HD12 LEU 26 2HD1 LEU 26 11.973 -14.557 -9.670 220 HD13 LEU 26 3HD1 LEU 26 12.199 -14.543 -11.421 221 HD21 LEU 26 3HD2 LEU 26 10.630 -13.307 -12.870 222 HD22 LEU 26 1HD2 LEU 26 9.259 -12.449 -12.166 223 HD23 LEU 26 2HD2 LEU 26 9.267 -14.213 -12.213 224 H GLU 27 HN GLU 27 6.725 -13.371 -8.505 225 HA GLU 27 HA GLU 27 5.150 -13.814 -10.748 226 HB2 GLU 27 2HB GLU 27 4.973 -14.226 -7.951 227 HB3 GLU 27 1HB GLU 27 3.480 -13.442 -8.443 228 HG2 GLU 27 2HG GLU 27 4.601 -15.926 -9.708 229 HG3 GLU 27 1HG GLU 27 3.379 -15.909 -8.441 230 H ILE 28 HN ILE 28 4.814 -11.242 -8.310 231 HA ILE 28 HA ILE 28 2.625 -10.009 -9.630 232 HB ILE 28 HB ILE 28 4.493 -8.769 -7.608 233 HG12 ILE 28 2HG1 ILE 28 1.886 -10.256 -7.202 234 HG13 ILE 28 1HG1 ILE 28 3.484 -10.867 -6.792 235 HG21 ILE 28 1HG2 ILE 28 1.684 -8.042 -8.442 236 HG22 ILE 28 2HG2 ILE 28 3.150 -7.126 -8.796 237 HG23 ILE 28 3HG2 ILE 28 2.591 -7.287 -7.131 238 HD11 ILE 28 3HD1 ILE 28 3.748 -9.084 -5.151 239 HD12 ILE 28 1HD1 ILE 28 2.318 -10.065 -4.825 240 HD13 ILE 28 2HD1 ILE 28 2.146 -8.471 -5.560 241 H ALA 29 HN ALA 29 6.114 -9.351 -9.579 242 HA ALA 29 HA ALA 29 6.067 -6.971 -11.061 243 HB1 ALA 29 1HB ALA 29 8.039 -7.745 -9.847 244 HB2 ALA 29 2HB ALA 29 8.417 -7.408 -11.537 245 HB3 ALA 29 3HB ALA 29 8.225 -9.074 -10.992 246 H LYS 30 HN LYS 30 6.366 -10.347 -12.122 247 HA LYS 30 HA LYS 30 6.659 -9.817 -14.876 248 HB2 LYS 30 2HB LYS 30 7.034 -12.006 -13.537 249 HB3 LYS 30 1HB LYS 30 5.318 -12.281 -13.774 250 HG2 LYS 30 2HG LYS 30 7.202 -11.795 -16.061 251 HG3 LYS 30 1HG LYS 30 6.901 -13.401 -15.401 252 HD2 LYS 30 2HD LYS 30 4.517 -13.148 -15.900 253 HD3 LYS 30 1HD LYS 30 4.829 -11.544 -16.564 254 HE2 LYS 30 2HE LYS 30 5.984 -14.129 -17.605 255 HE3 LYS 30 1HE LYS 30 4.628 -13.255 -18.317 256 HZ1 LYS 30 3HZ LYS 30 6.631 -12.747 -19.509 257 HZ2 LYS 30 1HZ LYS 30 7.429 -12.279 -18.084 258 HZ3 LYS 30 2HZ LYS 30 6.127 -11.360 -18.678 259 H SER 31 HN SER 31 3.841 -10.262 -12.818 260 HA SER 31 HA SER 31 1.906 -10.325 -14.878 261 HB2 SER 31 2HB SER 31 1.604 -9.521 -11.971 262 HB3 SER 31 1HB SER 31 0.280 -9.909 -13.068 263 HG SER 31 HG SER 31 2.329 -11.648 -12.127 264 H ILE 32 HN ILE 32 3.543 -7.734 -13.229 265 HA ILE 32 HA ILE 32 1.747 -5.702 -14.257 266 HB ILE 32 HB ILE 32 4.358 -5.435 -12.747 267 HG12 ILE 32 2HG1 ILE 32 1.496 -5.120 -11.818 268 HG13 ILE 32 1HG1 ILE 32 2.533 -6.493 -11.459 269 HG21 ILE 32 1HG2 ILE 32 3.675 -3.098 -12.385 270 HG22 ILE 32 2HG2 ILE 32 2.300 -3.345 -13.458 271 HG23 ILE 32 3HG2 ILE 32 3.941 -3.457 -14.089 272 HD11 ILE 32 3HD1 ILE 32 4.042 -5.033 -10.220 273 HD12 ILE 32 1HD1 ILE 32 2.402 -4.968 -9.578 274 HD13 ILE 32 2HD1 ILE 32 3.006 -3.653 -10.584 275 H GLY 33 HN GLY 33 5.082 -6.785 -14.789 276 HA2 GLY 33 2HA GLY 33 5.751 -6.793 -17.196 277 HA3 GLY 33 1HA GLY 33 5.114 -5.154 -17.255 278 H VAL 34 HN VAL 34 6.293 -5.025 -14.366 279 HA VAL 34 HA VAL 34 8.787 -3.830 -15.204 280 HB VAL 34 HB VAL 34 9.024 -3.145 -12.841 281 HG11 VAL 34 1HG1 VAL 34 7.141 -1.597 -12.782 282 HG12 VAL 34 2HG1 VAL 34 6.300 -2.560 -13.997 283 HG13 VAL 34 3HG1 VAL 34 7.797 -1.727 -14.414 284 HG21 VAL 34 3HG2 VAL 34 6.387 -4.562 -12.447 285 HG22 VAL 34 1HG2 VAL 34 7.213 -3.559 -11.252 286 HG23 VAL 34 2HG2 VAL 34 7.944 -5.072 -11.790 287 H SER 35 HN SER 35 10.830 -4.312 -14.139 288 HA SER 35 HA SER 35 11.294 -7.136 -14.004 289 HB2 SER 35 2HB SER 35 13.197 -4.867 -13.371 290 HB3 SER 35 1HB SER 35 13.635 -6.535 -13.740 291 HG SER 35 HG SER 35 13.356 -6.167 -15.813 292 HA PRO 36 HA PRO 36 10.623 -7.929 -9.732 293 HB2 PRO 36 2HB PRO 36 13.102 -9.571 -9.890 294 HB3 PRO 36 1HB PRO 36 11.482 -10.023 -9.346 295 HG2 PRO 36 2HG PRO 36 12.374 -10.819 -11.716 296 HG3 PRO 36 1HG PRO 36 10.690 -10.302 -11.507 297 HD2 PRO 36 2HD PRO 36 12.986 -8.831 -12.733 298 HD3 PRO 36 1HD PRO 36 11.281 -8.882 -13.229 299 H GLN 37 HN GLN 37 13.920 -7.134 -10.743 300 HA GLN 37 HA GLN 37 14.994 -6.457 -8.258 301 HB2 GLN 37 2HB GLN 37 16.266 -6.630 -10.402 302 HB3 GLN 37 1HB GLN 37 15.576 -5.090 -10.892 303 HG2 GLN 37 2HG GLN 37 16.609 -4.056 -8.879 304 HG3 GLN 37 1HG GLN 37 17.408 -5.594 -8.560 305 HE21 GLN 37 1HE2 GLN 37 19.072 -6.278 -9.928 306 HE22 GLN 37 2HE2 GLN 37 19.862 -5.199 -11.028 307 H THR 38 HN THR 38 13.164 -4.508 -10.565 308 HA THR 38 HA THR 38 13.395 -2.056 -9.148 309 HB THR 38 HB THR 38 11.157 -2.776 -11.047 310 HG1 THR 38 1HG THR 38 12.534 -2.309 -12.741 311 HG21 THR 38 3HG2 THR 38 10.970 -0.618 -9.912 312 HG22 THR 38 1HG2 THR 38 11.285 -0.396 -11.634 313 HG23 THR 38 2HG2 THR 38 12.584 -0.178 -10.464 314 H PHE 39 HN PHE 39 11.064 -4.660 -9.246 315 HA PHE 39 HA PHE 39 9.071 -3.528 -7.619 316 HB2 PHE 39 2HB PHE 39 8.926 -5.588 -9.097 317 HB3 PHE 39 1HB PHE 39 9.786 -6.456 -7.831 318 HD1 PHE 39 2HD PHE 39 6.697 -4.528 -8.508 319 HD2 PHE 39 1HD PHE 39 8.658 -7.354 -6.007 320 HE1 PHE 39 2HE PHE 39 4.567 -4.990 -7.368 321 HE2 PHE 39 1HE PHE 39 6.533 -7.820 -4.860 322 HZ PHE 39 HZ PHE 39 4.482 -6.641 -5.540 323 H ASN 40 HN ASN 40 11.921 -5.477 -6.922 324 HA ASN 40 HA ASN 40 11.443 -5.783 -4.130 325 HB2 ASN 40 2HB ASN 40 12.912 -7.258 -5.528 326 HB3 ASN 40 1HB ASN 40 14.082 -5.947 -5.615 327 HD21 ASN 40 1HD2 ASN 40 15.674 -7.087 -4.592 328 HD22 ASN 40 2HD2 ASN 40 15.624 -7.487 -2.914 329 H THR 41 HN THR 41 13.163 -3.332 -6.041 330 HA THR 41 HA THR 41 14.398 -2.105 -3.794 331 HB THR 41 HB THR 41 14.625 -0.080 -5.282 332 HG1 THR 41 1HG THR 41 12.721 -1.273 -6.666 333 HG21 THR 41 3HG2 THR 41 16.363 -1.796 -5.161 334 HG22 THR 41 1HG2 THR 41 16.239 -1.132 -6.790 335 HG23 THR 41 2HG2 THR 41 15.550 -2.714 -6.429 336 H TRP 42 HN TRP 42 11.188 -1.928 -5.118 337 HA TRP 42 HA TRP 42 10.397 0.337 -3.532 338 HB2 TRP 42 2HB TRP 42 8.674 -1.844 -4.733 339 HB3 TRP 42 1HB TRP 42 8.109 -0.298 -4.118 340 HD1 TRP 42 1HD TRP 42 10.575 1.336 -5.649 341 HE1 TRP 42 1HE TRP 42 10.253 1.797 -8.165 342 HE3 TRP 42 3HE TRP 42 7.060 -2.229 -6.673 343 HZ2 TRP 42 2HZ TRP 42 8.688 0.778 -10.295 344 HZ3 TRP 42 3HZ TRP 42 6.207 -2.421 -8.968 345 HH2 TRP 42 2HH TRP 42 7.006 -0.953 -10.743 346 H CYS 43 HN CYS 43 10.108 -3.153 -3.349 347 HA CYS 43 HA CYS 43 8.729 -3.443 -0.959 348 HB2 CYS 43 2HB CYS 43 10.738 -5.160 -2.404 349 HB3 CYS 43 1HB CYS 43 9.900 -5.721 -0.974 350 HG CYS 43 HG CYS 43 7.565 -4.625 -2.894 351 H LYS 44 HN LYS 44 12.165 -2.998 -1.554 352 HA LYS 44 HA LYS 44 12.798 -3.372 1.242 353 HB2 LYS 44 2HB LYS 44 14.361 -2.978 -1.272 354 HB3 LYS 44 1HB LYS 44 15.136 -2.744 0.283 355 HG2 LYS 44 2HG LYS 44 14.474 -5.019 0.935 356 HG3 LYS 44 1HG LYS 44 13.766 -5.250 -0.663 357 HD2 LYS 44 2HD LYS 44 15.899 -5.111 -1.711 358 HD3 LYS 44 1HD LYS 44 16.663 -4.546 -0.221 359 HE2 LYS 44 2HE LYS 44 15.367 -7.252 -0.557 360 HE3 LYS 44 1HE LYS 44 17.094 -6.946 -0.735 361 HZ1 LYS 44 3HZ LYS 44 16.323 -7.776 1.506 362 HZ2 LYS 44 1HZ LYS 44 15.615 -6.254 1.740 363 HZ3 LYS 44 2HZ LYS 44 17.291 -6.385 1.521 364 H GLY 45 HN GLY 45 11.331 -0.954 -0.176 365 HA2 GLY 45 2HA GLY 45 11.102 1.284 0.286 366 HA3 GLY 45 1HA GLY 45 11.918 0.931 1.799 367 H ILE 46 HN ILE 46 13.210 0.645 -1.472 368 HA ILE 46 HA ILE 46 15.414 2.398 -0.708 369 HB ILE 46 HB ILE 46 15.009 0.773 -3.229 370 HG12 ILE 46 2HG1 ILE 46 16.781 0.207 -0.839 371 HG13 ILE 46 1HG1 ILE 46 15.236 -0.580 -1.140 372 HG21 ILE 46 1HG2 ILE 46 17.389 1.182 -3.632 373 HG22 ILE 46 2HG2 ILE 46 17.463 2.198 -2.194 374 HG23 ILE 46 3HG2 ILE 46 16.482 2.691 -3.572 375 HD11 ILE 46 3HD1 ILE 46 17.060 -2.004 -1.810 376 HD12 ILE 46 1HD1 ILE 46 17.686 -0.741 -2.871 377 HD13 ILE 46 2HD1 ILE 46 16.137 -1.500 -3.226 378 H ALA 47 HN ALA 47 13.214 2.018 -3.485 379 HA ALA 47 HA ALA 47 13.301 4.940 -3.836 380 HB1 ALA 47 1HB ALA 47 13.221 4.619 -6.249 381 HB2 ALA 47 2HB ALA 47 13.258 2.870 -6.031 382 HB3 ALA 47 3HB ALA 47 14.652 3.847 -5.565 383 H ILE 48 HN ILE 48 11.416 5.874 -4.750 384 HA ILE 48 HA ILE 48 8.998 4.288 -4.253 385 HB ILE 48 HB ILE 48 9.384 7.279 -4.487 386 HG12 ILE 48 2HG1 ILE 48 8.469 5.589 -2.159 387 HG13 ILE 48 1HG1 ILE 48 10.116 6.163 -2.375 388 HG21 ILE 48 1HG2 ILE 48 7.234 6.648 -5.464 389 HG22 ILE 48 2HG2 ILE 48 7.011 7.500 -3.937 390 HG23 ILE 48 3HG2 ILE 48 6.831 5.747 -4.002 391 HD11 ILE 48 3HD1 ILE 48 9.316 8.471 -2.233 392 HD12 ILE 48 1HD1 ILE 48 8.903 7.541 -0.794 393 HD13 ILE 48 2HD1 ILE 48 7.671 7.881 -2.007 394 HA PRO 49 HA PRO 49 8.499 4.036 -8.677 395 HB2 PRO 49 2HB PRO 49 6.027 2.954 -8.684 396 HB3 PRO 49 1HB PRO 49 7.458 2.020 -8.249 397 HG2 PRO 49 2HG PRO 49 5.456 3.337 -6.446 398 HG3 PRO 49 1HG PRO 49 6.149 1.707 -6.344 399 HD2 PRO 49 2HD PRO 49 7.070 3.766 -4.837 400 HD3 PRO 49 1HD PRO 49 8.130 2.468 -5.429 401 H ARG 50 HN ARG 50 7.538 5.295 -10.232 402 HA ARG 50 HA ARG 50 6.105 7.599 -9.296 403 HB2 ARG 50 2HB ARG 50 6.848 6.727 -12.093 404 HB3 ARG 50 1HB ARG 50 6.083 8.265 -11.699 405 HG2 ARG 50 2HG ARG 50 8.010 8.771 -10.217 406 HG3 ARG 50 1HG ARG 50 8.784 7.299 -10.801 407 HD2 ARG 50 2HD ARG 50 8.799 8.170 -13.063 408 HD3 ARG 50 1HD ARG 50 7.931 9.614 -12.538 409 HE ARG 50 HE ARG 50 10.573 8.976 -11.407 410 HH11 ARG 50 1HH1 ARG 50 8.486 11.122 -13.216 411 HH12 ARG 50 2HH1 ARG 50 9.619 12.445 -13.196 412 HH21 ARG 50 1HH2 ARG 50 12.050 10.702 -11.374 413 HH22 ARG 50 2HH2 ARG 50 11.654 12.199 -12.162 414 H MET 51 HN MET 51 4.118 8.272 -10.758 415 HA MET 51 HA MET 51 2.117 6.748 -9.535 416 HB2 MET 51 2HB MET 51 1.964 9.174 -10.093 417 HB3 MET 51 1HB MET 51 1.732 8.729 -11.777 418 HG2 MET 51 2HG MET 51 -0.325 7.584 -11.235 419 HG3 MET 51 1HG MET 51 -0.079 7.904 -9.519 420 HE1 MET 51 3HE MET 51 0.621 10.314 -12.557 421 HE2 MET 51 1HE MET 51 -0.921 11.164 -12.666 422 HE3 MET 51 2HE MET 51 -0.839 9.443 -13.033 423 H GLY 52 HN GLY 52 3.469 6.511 -12.751 424 HA2 GLY 52 2HA GLY 52 1.355 5.119 -14.001 425 HA3 GLY 52 1HA GLY 52 3.047 5.042 -14.467 426 H LYS 53 HN LYS 53 3.907 4.052 -11.852 427 HA LYS 53 HA LYS 53 3.238 1.256 -12.303 428 HB2 LYS 53 2HB LYS 53 5.374 2.607 -10.661 429 HB3 LYS 53 1HB LYS 53 5.059 0.883 -10.556 430 HG2 LYS 53 2HG LYS 53 6.856 1.118 -12.045 431 HG3 LYS 53 1HG LYS 53 5.444 0.786 -13.050 432 HD2 LYS 53 2HD LYS 53 5.231 3.259 -13.403 433 HD3 LYS 53 1HD LYS 53 6.781 3.446 -12.579 434 HE2 LYS 53 2HE LYS 53 7.213 3.436 -14.920 435 HE3 LYS 53 1HE LYS 53 7.766 1.890 -14.274 436 HZ1 LYS 53 3HZ LYS 53 6.588 1.464 -16.277 437 HZ2 LYS 53 1HZ LYS 53 5.270 2.416 -15.797 438 HZ3 LYS 53 2HZ LYS 53 5.588 0.950 -15.010 439 H VAL 54 HN VAL 54 2.959 3.743 -9.828 440 HA VAL 54 HA VAL 54 1.947 2.137 -7.748 441 HB VAL 54 HB VAL 54 1.272 5.026 -8.345 442 HG11 VAL 54 1HG1 VAL 54 0.750 5.188 -5.961 443 HG12 VAL 54 2HG1 VAL 54 1.054 3.462 -5.775 444 HG13 VAL 54 3HG1 VAL 54 -0.292 4.018 -6.770 445 HG21 VAL 54 3HG2 VAL 54 3.056 5.564 -6.757 446 HG22 VAL 54 1HG2 VAL 54 3.671 4.688 -8.158 447 HG23 VAL 54 2HG2 VAL 54 3.449 3.850 -6.620 448 H GLN 55 HN GLN 55 0.374 3.783 -10.445 449 HA GLN 55 HA GLN 55 -2.291 3.194 -9.793 450 HB2 GLN 55 2HB GLN 55 -1.484 4.792 -11.573 451 HB3 GLN 55 1HB GLN 55 -1.110 3.402 -12.576 452 HG2 GLN 55 2HG GLN 55 -3.873 3.641 -11.531 453 HG3 GLN 55 1HG GLN 55 -3.370 4.754 -12.800 454 HE21 GLN 55 1HE2 GLN 55 -4.162 1.491 -12.004 455 HE22 GLN 55 2HE2 GLN 55 -4.123 0.867 -13.622 456 H ALA 56 HN ALA 56 0.146 1.355 -11.578 457 HA ALA 56 HA ALA 56 -1.531 -0.767 -12.371 458 HB1 ALA 56 1HB ALA 56 0.649 -0.324 -13.398 459 HB2 ALA 56 2HB ALA 56 0.528 -1.986 -12.815 460 HB3 ALA 56 3HB ALA 56 1.445 -0.793 -11.895 461 H LEU 57 HN LEU 57 0.426 -0.221 -9.476 462 HA LEU 57 HA LEU 57 0.106 -2.753 -8.302 463 HB2 LEU 57 2HB LEU 57 0.452 -0.033 -7.040 464 HB3 LEU 57 1HB LEU 57 0.546 -1.544 -6.158 465 HG LEU 57 HG LEU 57 2.389 -0.766 -8.417 466 HD11 LEU 57 1HD1 LEU 57 2.865 -0.755 -5.438 467 HD12 LEU 57 2HD1 LEU 57 2.716 0.667 -6.470 468 HD13 LEU 57 3HD1 LEU 57 4.073 -0.438 -6.682 469 HD21 LEU 57 3HD2 LEU 57 2.102 -3.176 -8.177 470 HD22 LEU 57 1HD2 LEU 57 2.487 -3.059 -6.459 471 HD23 LEU 57 2HD2 LEU 57 3.715 -2.676 -7.667 472 H ALA 58 HN ALA 58 -1.743 0.253 -7.844 473 HA ALA 58 HA ALA 58 -3.719 -0.814 -6.142 474 HB1 ALA 58 1HB ALA 58 -3.966 1.506 -8.063 475 HB2 ALA 58 2HB ALA 58 -3.331 1.596 -6.418 476 HB3 ALA 58 3HB ALA 58 -5.024 1.173 -6.687 477 H ASP 59 HN ASP 59 -3.351 -0.794 -9.593 478 HA ASP 59 HA ASP 59 -5.995 -1.548 -10.294 479 HB2 ASP 59 2HB ASP 59 -4.492 -0.498 -11.898 480 HB3 ASP 59 1HB ASP 59 -3.378 -1.853 -11.782 481 H TYR 60 HN TYR 60 -3.003 -3.392 -9.856 482 HA TYR 60 HA TYR 60 -4.126 -5.896 -10.562 483 HB2 TYR 60 2HB TYR 60 -1.680 -5.380 -10.558 484 HB3 TYR 60 1HB TYR 60 -1.719 -5.372 -8.801 485 HD1 TYR 60 1HD TYR 60 -2.044 -7.496 -11.794 486 HD2 TYR 60 2HD TYR 60 -1.767 -7.417 -7.550 487 HE1 TYR 60 1HE TYR 60 -1.674 -9.925 -11.776 488 HE2 TYR 60 2HE TYR 60 -1.401 -9.845 -7.523 489 HH TYR 60 HH TYR 60 -2.007 -11.803 -9.083 490 H PHE 61 HN PHE 61 -3.765 -4.171 -7.526 491 HA PHE 61 HA PHE 61 -4.707 -6.460 -5.994 492 HB2 PHE 61 2HB PHE 61 -3.661 -3.739 -5.229 493 HB3 PHE 61 1HB PHE 61 -4.421 -4.802 -4.052 494 HD1 PHE 61 1HD PHE 61 -1.519 -4.371 -6.284 495 HD2 PHE 61 2HD PHE 61 -3.283 -6.720 -3.204 496 HE1 PHE 61 1HE PHE 61 0.634 -5.505 -5.918 497 HE2 PHE 61 2HE PHE 61 -1.131 -7.854 -2.835 498 HZ PHE 61 HZ PHE 61 0.832 -7.245 -4.189 499 H ASN 62 HN ASN 62 -6.100 -4.025 -7.713 500 HA ASN 62 HA ASN 62 -8.112 -3.004 -7.794 501 HB2 ASN 62 2HB ASN 62 -8.881 -5.533 -6.336 502 HB3 ASN 62 1HB ASN 62 -10.050 -4.368 -6.949 503 HD21 ASN 62 1HD2 ASN 62 -10.202 -4.040 -9.202 504 HD22 ASN 62 2HD2 ASN 62 -9.697 -5.274 -10.310 505 H ILE 63 HN ILE 63 -6.624 -1.806 -5.960 506 HA ILE 63 HA ILE 63 -8.527 -1.219 -3.787 507 HB ILE 63 HB ILE 63 -6.592 -0.732 -2.298 508 HG12 ILE 63 2HG1 ILE 63 -5.000 -2.156 -4.442 509 HG13 ILE 63 1HG1 ILE 63 -4.891 -0.442 -4.057 510 HG21 ILE 63 1HG2 ILE 63 -6.809 -3.570 -3.291 511 HG22 ILE 63 2HG2 ILE 63 -7.822 -2.805 -2.068 512 HG23 ILE 63 3HG2 ILE 63 -6.109 -3.075 -1.749 513 HD11 ILE 63 3HD1 ILE 63 -4.190 -2.702 -2.196 514 HD12 ILE 63 1HD1 ILE 63 -4.049 -0.979 -1.842 515 HD13 ILE 63 2HD1 ILE 63 -3.045 -1.705 -3.098 516 H ASN 64 HN ASN 64 -7.352 0.913 -2.618 517 HA ASN 64 HA ASN 64 -7.358 2.910 -4.766 518 HB2 ASN 64 2HB ASN 64 -7.473 3.377 -1.777 519 HB3 ASN 64 1HB ASN 64 -7.797 4.551 -3.043 520 HD21 ASN 64 1HD2 ASN 64 -9.004 1.869 -1.240 521 HD22 ASN 64 2HD2 ASN 64 -10.649 1.972 -1.788 522 H LYS 65 HN LYS 65 -5.762 4.677 -4.631 523 HA LYS 65 HA LYS 65 -3.138 3.634 -4.288 524 HB2 LYS 65 2HB LYS 65 -2.366 5.908 -4.836 525 HB3 LYS 65 1HB LYS 65 -3.569 5.321 -5.973 526 HG2 LYS 65 2HG LYS 65 -5.275 6.672 -4.922 527 HG3 LYS 65 1HG LYS 65 -4.127 7.205 -3.693 528 HD2 LYS 65 2HD LYS 65 -2.774 8.289 -5.404 529 HD3 LYS 65 1HD LYS 65 -3.879 7.717 -6.657 530 HE2 LYS 65 2HE LYS 65 -5.675 9.039 -5.736 531 HE3 LYS 65 1HE LYS 65 -4.664 9.529 -4.378 532 HZ1 LYS 65 3HZ LYS 65 -3.238 10.729 -5.873 533 HZ2 LYS 65 1HZ LYS 65 -4.837 11.237 -6.114 534 HZ3 LYS 65 2HZ LYS 65 -4.105 10.183 -7.222 535 H SER 66 HN SER 66 -5.271 5.496 -2.265 536 HA SER 66 HA SER 66 -3.287 6.436 -0.454 537 HB2 SER 66 2HB SER 66 -6.273 6.126 -0.064 538 HB3 SER 66 1HB SER 66 -5.193 7.056 0.976 539 HG SER 66 HG SER 66 -6.467 8.015 -1.005 540 H ASP 67 HN ASP 67 -4.933 3.420 -0.823 541 HA ASP 67 HA ASP 67 -4.890 2.543 1.864 542 HB2 ASP 67 2HB ASP 67 -4.911 0.983 -0.723 543 HB3 ASP 67 1HB ASP 67 -5.024 0.226 0.862 544 H LEU 68 HN LEU 68 -2.464 2.672 -0.603 545 HA LEU 68 HA LEU 68 -0.653 0.966 0.913 546 HB2 LEU 68 2HB LEU 68 -0.335 2.322 -1.762 547 HB3 LEU 68 1HB LEU 68 0.871 1.287 -1.023 548 HG LEU 68 HG LEU 68 -1.897 0.412 -1.858 549 HD11 LEU 68 1HD1 LEU 68 0.791 -0.087 -3.125 550 HD12 LEU 68 2HD1 LEU 68 -0.503 0.918 -3.777 551 HD13 LEU 68 3HD1 LEU 68 -0.731 -0.823 -3.620 552 HD21 LEU 68 3HD2 LEU 68 0.451 -1.178 -0.833 553 HD22 LEU 68 1HD2 LEU 68 -1.077 -1.841 -1.414 554 HD23 LEU 68 2HD2 LEU 68 -1.043 -0.852 0.044 555 H ILE 69 HN ILE 69 -1.363 4.290 0.488 556 HA ILE 69 HA ILE 69 1.344 5.156 1.146 557 HB ILE 69 HB ILE 69 -1.109 6.775 0.464 558 HG12 ILE 69 2HG1 ILE 69 -0.293 5.407 -1.406 559 HG13 ILE 69 1HG1 ILE 69 -0.041 7.125 -1.703 560 HG21 ILE 69 1HG2 ILE 69 1.762 7.638 0.796 561 HG22 ILE 69 2HG2 ILE 69 0.408 8.060 1.848 562 HG23 ILE 69 3HG2 ILE 69 0.452 8.651 0.186 563 HD11 ILE 69 3HD1 ILE 69 2.318 6.866 -1.066 564 HD12 ILE 69 1HD1 ILE 69 1.877 5.832 -2.424 565 HD13 ILE 69 2HD1 ILE 69 2.049 5.142 -0.809 566 H GLU 70 HN GLU 70 -1.915 5.189 2.533 567 HA GLU 70 HA GLU 70 -1.029 6.857 4.719 568 HB2 GLU 70 2HB GLU 70 -3.720 5.767 3.932 569 HB3 GLU 70 1HB GLU 70 -3.447 6.733 5.364 570 HG2 GLU 70 2HG GLU 70 -2.843 7.638 2.566 571 HG3 GLU 70 1HG GLU 70 -4.325 8.018 3.443 572 H ASP 71 HN ASP 71 -1.354 6.358 6.877 573 HA ASP 71 HA ASP 71 -0.833 3.567 7.561 574 HB2 ASP 71 2HB ASP 71 0.568 5.545 8.395 575 HB3 ASP 71 1HB ASP 71 -0.813 5.986 9.387 576 H LYS 72 HN LYS 72 -1.908 3.022 9.869 577 HA LYS 72 HA LYS 72 -4.779 3.426 9.478 578 HB2 LYS 72 2HB LYS 72 -5.055 1.647 11.174 579 HB3 LYS 72 1HB LYS 72 -4.113 1.127 9.786 580 HG2 LYS 72 2HG LYS 72 -2.063 1.368 11.057 581 HG3 LYS 72 1HG LYS 72 -2.978 1.962 12.446 582 HD2 LYS 72 2HD LYS 72 -4.181 -0.166 12.560 583 HD3 LYS 72 1HD LYS 72 -3.263 -0.762 11.177 584 HE2 LYS 72 2HE LYS 72 -1.209 -0.639 12.427 585 HE3 LYS 72 1HE LYS 72 -2.041 0.114 13.789 586 HZ1 LYS 72 3HZ LYS 72 -2.469 -2.650 12.775 587 HZ2 LYS 72 1HZ LYS 72 -3.356 -1.923 14.031 588 HZ3 LYS 72 2HZ LYS 72 -1.698 -2.207 14.225 589 H LYS 73 HN LYS 73 -2.390 5.003 10.949 590 HA LYS 73 HA LYS 73 -3.756 5.729 13.389 591 HB2 LYS 73 2HB LYS 73 -1.159 6.386 12.116 592 HB3 LYS 73 1HB LYS 73 -1.847 7.616 13.168 593 HG2 LYS 73 2HG LYS 73 -1.323 4.757 13.959 594 HG3 LYS 73 1HG LYS 73 -0.284 6.132 14.342 595 HD2 LYS 73 2HD LYS 73 -2.195 7.180 15.527 596 HD3 LYS 73 1HD LYS 73 -3.138 5.718 15.233 597 HE2 LYS 73 2HE LYS 73 -2.188 5.713 17.482 598 HE3 LYS 73 1HE LYS 73 -1.514 4.411 16.505 599 HZ1 LYS 73 3HZ LYS 73 0.056 5.842 17.937 600 HZ2 LYS 73 1HZ LYS 73 -0.111 7.002 16.709 601 HZ3 LYS 73 2HZ LYS 73 0.523 5.468 16.346 602 H LEU 74 HN LEU 74 -5.027 6.165 10.719 603 HA LEU 74 HA LEU 74 -5.316 9.031 10.578 604 HB2 LEU 74 2HB LEU 74 -6.706 6.757 9.167 605 HB3 LEU 74 1HB LEU 74 -7.061 8.441 8.879 606 HG LEU 74 HG LEU 74 -4.422 7.083 8.353 607 HD11 LEU 74 1HD1 LEU 74 -6.518 8.139 6.462 608 HD12 LEU 74 2HD1 LEU 74 -6.156 6.441 6.774 609 HD13 LEU 74 3HD1 LEU 74 -4.951 7.473 6.002 610 HD21 LEU 74 3HD2 LEU 74 -5.291 9.923 7.828 611 HD22 LEU 74 1HD2 LEU 74 -3.771 9.196 7.304 612 HD23 LEU 74 2HD2 LEU 74 -4.105 9.399 9.026 613 H ASN 75 HN ASN 75 -6.175 7.019 12.788 614 HA ASN 75 HA ASN 75 -8.951 7.759 13.145 615 HB2 ASN 75 2HB ASN 75 -7.065 6.005 14.724 616 HB3 ASN 75 1HB ASN 75 -8.675 6.421 15.304 617 HD21 ASN 75 1HD2 ASN 75 -6.836 4.550 13.045 618 HD22 ASN 75 2HD2 ASN 75 -8.154 3.603 12.437 619 H ILE 76 HN ILE 76 -9.500 9.541 14.136 620 HA ILE 76 HA ILE 76 -7.567 11.356 15.134 621 HB ILE 76 HB ILE 76 -10.577 11.456 15.382 622 HG12 ILE 76 2HG1 ILE 76 -9.880 11.337 13.054 623 HG13 ILE 76 1HG1 ILE 76 -10.435 12.965 13.419 624 HG21 ILE 76 1HG2 ILE 76 -10.271 13.874 15.686 625 HG22 ILE 76 2HG2 ILE 76 -8.522 13.642 15.691 626 HG23 ILE 76 3HG2 ILE 76 -9.507 12.945 16.979 627 HD11 ILE 76 3HD1 ILE 76 -8.105 13.699 13.631 628 HD12 ILE 76 1HD1 ILE 76 -8.459 13.037 12.034 629 HD13 ILE 76 2HD1 ILE 76 -7.571 12.069 13.213 630 H ASP 77 HN ASP 77 -7.105 12.006 17.186 631 HA ASP 77 HA ASP 77 -7.639 10.093 19.267 632 HB2 ASP 77 2HB ASP 77 -5.927 11.313 20.550 633 HB3 ASP 77 1HB ASP 77 -5.322 10.829 18.973 634 H THR 78 HN THR 78 -9.581 10.363 19.974 635 HA THR 78 HA THR 78 -10.877 12.803 20.582 636 HB THR 78 HB THR 78 -12.447 11.398 21.916 637 HG1 THR 78 1HG THR 78 -10.619 9.315 21.196 638 HG21 THR 78 3HG2 THR 78 -11.739 10.265 19.205 639 HG22 THR 78 1HG2 THR 78 -12.758 11.674 19.496 640 HG23 THR 78 2HG2 THR 78 -13.286 10.080 20.033 641 H VAL 79 HN VAL 79 -11.831 12.481 23.187 642 HA VAL 79 HA VAL 79 -9.418 13.052 24.764 643 HB VAL 79 HB VAL 79 -12.271 13.759 25.471 644 HG11 VAL 79 1HG1 VAL 79 -10.793 13.589 27.392 645 HG12 VAL 79 2HG1 VAL 79 -11.219 15.275 27.096 646 HG13 VAL 79 3HG1 VAL 79 -9.633 14.667 26.619 647 HG21 VAL 79 3HG2 VAL 79 -11.645 14.953 23.463 648 HG22 VAL 79 1HG2 VAL 79 -10.128 15.462 24.206 649 HG23 VAL 79 2HG2 VAL 79 -11.663 16.065 24.833 650 HA PRO 80 HA PRO 80 -10.740 8.940 26.221 651 HB2 PRO 80 2HB PRO 80 -8.302 7.925 26.636 652 HB3 PRO 80 1HB PRO 80 -8.949 8.121 25.003 653 HG2 PRO 80 2HG PRO 80 -7.004 9.844 26.487 654 HG3 PRO 80 1HG PRO 80 -6.970 9.320 24.794 655 HD2 PRO 80 2HD PRO 80 -7.863 11.776 25.637 656 HD3 PRO 80 1HD PRO 80 -8.366 10.995 24.127 657 H ILE 81 HN ILE 81 -9.384 7.615 28.133 658 HA ILE 81 HA ILE 81 -10.008 8.968 30.540 659 HB ILE 81 HB ILE 81 -10.088 6.510 30.287 660 HG12 ILE 81 2HG1 ILE 81 -8.173 7.413 32.451 661 HG13 ILE 81 1HG1 ILE 81 -9.926 7.529 32.535 662 HG21 ILE 81 1HG2 ILE 81 -8.108 6.209 28.912 663 HG22 ILE 81 2HG2 ILE 81 -8.028 5.195 30.352 664 HG23 ILE 81 3HG2 ILE 81 -7.080 6.679 30.265 665 HD11 ILE 81 3HD1 ILE 81 -9.136 5.631 33.798 666 HD12 ILE 81 1HD1 ILE 81 -8.313 4.997 32.373 667 HD13 ILE 81 2HD1 ILE 81 -10.074 5.088 32.407 668 H GLU 82 HN GLU 82 -8.469 9.430 32.287 669 HA GLU 82 HA GLU 82 -6.397 11.138 31.431 670 HB2 GLU 82 2HB GLU 82 -7.067 10.050 34.164 671 HB3 GLU 82 1HB GLU 82 -5.852 11.288 33.876 672 HG2 GLU 82 2HG GLU 82 -7.563 12.754 32.942 673 HG3 GLU 82 1HG GLU 82 -8.779 11.508 33.213 674 H SER 83 HN SER 83 -4.315 10.797 33.165 675 HA SER 83 HA SER 83 -2.277 9.823 33.377 676 HB2 SER 83 2HB SER 83 -3.536 7.326 32.203 677 HB3 SER 83 1HB SER 83 -1.938 7.428 32.939 678 HG SER 83 HG SER 83 -4.197 8.246 34.396 679 H GLY 84 HN GLY 84 -3.368 11.238 31.065 680 HA2 GLY 84 2HA GLY 84 -2.181 10.096 28.709 681 HA3 GLY 84 1HA GLY 84 -2.924 11.681 28.840 682 H TYR 85 HN TYR 85 -0.247 10.429 27.879 683 HA TYR 85 HA TYR 85 1.686 11.956 29.400 684 HB2 TYR 85 2HB TYR 85 2.303 9.738 28.591 685 HB3 TYR 85 1HB TYR 85 1.960 10.216 26.936 686 HD1 TYR 85 1HD TYR 85 3.958 11.825 29.673 687 HD2 TYR 85 2HD TYR 85 3.911 10.233 25.730 688 HE1 TYR 85 1HE TYR 85 6.312 12.480 29.380 689 HE2 TYR 85 2HE TYR 85 6.258 10.883 25.429 690 HH TYR 85 HH TYR 85 7.872 12.427 26.325 691 H THR 86 HN THR 86 1.734 14.075 29.071 692 HA THR 86 HA THR 86 0.673 15.304 26.742 693 HB THR 86 HB THR 86 1.619 17.414 27.797 694 HG1 THR 86 1HG THR 86 2.500 17.234 29.836 695 HG21 THR 86 3HG2 THR 86 -0.039 17.414 29.611 696 HG22 THR 86 1HG2 THR 86 -0.194 15.664 29.465 697 HG23 THR 86 2HG2 THR 86 -0.695 16.708 28.136 698 H LEU 87 HN LEU 87 3.960 14.882 27.988 699 HA LEU 87 HA LEU 87 6.012 15.020 27.034 700 HB2 LEU 87 2HB LEU 87 4.724 13.630 25.245 701 HB3 LEU 87 1HB LEU 87 4.760 15.105 24.305 702 HG LEU 87 HG LEU 87 7.227 13.679 25.323 703 HD11 LEU 87 1HD1 LEU 87 5.975 13.671 22.582 704 HD12 LEU 87 2HD1 LEU 87 6.012 12.315 23.708 705 HD13 LEU 87 3HD1 LEU 87 7.516 12.930 23.021 706 HD21 LEU 87 3HD2 LEU 87 6.896 15.916 23.321 707 HD22 LEU 87 1HD2 LEU 87 8.411 15.102 23.713 708 HD23 LEU 87 2HD2 LEU 87 7.584 16.064 24.937 709 H GLU 88 HN GLU 88 6.479 17.028 27.799 710 HA GLU 88 HA GLU 88 5.876 19.308 26.047 711 HB2 GLU 88 2HB GLU 88 6.096 19.015 28.992 712 HB3 GLU 88 1HB GLU 88 6.675 20.520 28.294 713 HG2 GLU 88 2HG GLU 88 3.945 19.417 27.715 714 HG3 GLU 88 1HG GLU 88 4.278 20.481 29.082 715 H HIS 89 HN HIS 89 7.510 20.885 25.700 716 HA HIS 89 HA HIS 89 10.236 19.981 26.276 717 HB2 HIS 89 2HB HIS 89 10.985 20.641 24.042 718 HB3 HIS 89 1HB HIS 89 9.746 19.401 23.938 719 HD1 HIS 89 1HD HIS 89 7.232 20.438 23.361 720 HD2 HIS 89 2HD HIS 89 10.555 22.769 22.447 721 HE1 HIS 89 1HE HIS 89 6.426 22.153 21.716 722 HE2 HIS 89 2HE HIS 89 8.394 23.694 21.374 723 H HIS 90 HN HIS 90 10.638 21.415 27.867 724 HA HIS 90 HA HIS 90 10.159 24.253 27.284 725 HB2 HIS 90 2HB HIS 90 10.496 22.770 29.886 726 HB3 HIS 90 1HB HIS 90 10.583 24.528 29.790 727 HD1 HIS 90 1HD HIS 90 8.434 25.711 30.050 728 HD2 HIS 90 2HD HIS 90 7.905 21.779 28.808 729 HE1 HIS 90 1HE HIS 90 5.943 25.348 29.974 730 HE2 HIS 90 2HE HIS 90 5.664 23.065 28.935 731 H HIS 91 HN HIS 91 11.870 24.856 26.122 732 HA HIS 91 HA HIS 91 14.565 24.127 26.738 733 HB2 HIS 91 2HB HIS 91 13.618 24.761 24.455 734 HB3 HIS 91 1HB HIS 91 13.656 26.430 25.005 735 HD1 HIS 91 1HD HIS 91 15.834 23.634 23.872 736 HD2 HIS 91 2HD HIS 91 16.236 27.577 25.145 737 HE1 HIS 91 1HE HIS 91 18.176 24.310 23.258 738 HE2 HIS 91 2HE HIS 91 18.333 26.753 23.854 739 H HIS 92 HN HIS 92 15.707 24.940 28.377 740 HA HIS 92 HA HIS 92 14.727 27.309 29.742 741 HB2 HIS 92 2HB HIS 92 15.453 25.194 30.932 742 HB3 HIS 92 1HB HIS 92 17.105 25.594 30.480 743 HD1 HIS 92 1HD HIS 92 14.553 26.218 33.016 744 HD2 HIS 92 2HD HIS 92 18.049 28.074 31.724 745 HE1 HIS 92 1HE HIS 92 15.199 27.808 34.853 746 HE2 HIS 92 2HE HIS 92 17.392 28.813 34.121 747 H HIS 93 HN HIS 93 15.717 29.240 29.850 748 HA HIS 93 HA HIS 93 18.484 29.518 28.980 749 HB2 HIS 93 2HB HIS 93 16.932 29.938 26.978 750 HB3 HIS 93 1HB HIS 93 16.388 31.372 27.841 751 HD1 HIS 93 1HD HIS 93 17.817 33.450 27.643 752 HD2 HIS 93 2HD HIS 93 19.733 30.023 26.259 753 HE1 HIS 93 1HE HIS 93 19.936 34.247 26.545 754 HE2 HIS 93 2HE HIS 93 20.966 32.177 25.533 755 H HIS 94 HN HIS 94 19.544 31.087 30.119 756 HA HIS 94 HA HIS 94 18.246 32.073 32.467 757 HB2 HIS 94 2HB HIS 94 20.652 31.428 32.410 758 HB3 HIS 94 1HB HIS 94 20.972 32.810 31.365 759 HD1 HIS 94 1HD HIS 94 21.790 34.801 32.575 760 HD2 HIS 94 2HD HIS 94 19.391 32.406 34.988 761 HE1 HIS 94 1HE HIS 94 21.789 35.897 34.840 762 HE2 HIS 94 2HE HIS 94 20.525 34.304 36.329 Start of MODEL 16 1 H1 MET 1 H1 MET 1 21.595 7.969 4.849 2 H2 MET 1 H2 MET 1 20.626 9.279 5.303 3 H3 MET 1 H3 MET 1 19.917 7.895 4.623 4 HA MET 1 HA MET 1 20.575 6.580 6.513 5 HB2 MET 1 2HB MET 1 21.644 9.215 7.538 6 HB3 MET 1 1HB MET 1 21.404 7.799 8.548 7 HG2 MET 1 2HG MET 1 22.991 6.555 7.157 8 HG3 MET 1 1HG MET 1 23.249 7.997 6.182 9 HE1 MET 1 2HE MET 1 24.403 10.215 7.077 10 HE2 MET 1 3HE MET 1 24.933 10.445 8.740 11 HE3 MET 1 1HE MET 1 23.210 10.311 8.376 12 H VAL 2 HN VAL 2 18.464 6.203 6.686 13 HA VAL 2 HA VAL 2 16.269 6.403 7.260 14 HB VAL 2 HB VAL 2 17.336 7.998 9.592 15 HG11 VAL 2 1HG1 VAL 2 14.907 7.983 9.412 16 HG12 VAL 2 2HG1 VAL 2 15.441 7.034 10.800 17 HG13 VAL 2 3HG1 VAL 2 14.915 6.219 9.326 18 HG21 VAL 2 3HG2 VAL 2 17.600 5.843 10.746 19 HG22 VAL 2 1HG2 VAL 2 18.653 5.964 9.335 20 HG23 VAL 2 2HG2 VAL 2 17.177 5.001 9.255 21 H LYS 3 HN LYS 3 15.824 7.766 5.406 22 HA LYS 3 HA LYS 3 14.817 10.377 6.270 23 HB2 LYS 3 2HB LYS 3 16.431 9.897 3.756 24 HB3 LYS 3 1HB LYS 3 15.503 11.354 4.066 25 HG2 LYS 3 2HG LYS 3 17.846 10.363 5.678 26 HG3 LYS 3 1HG LYS 3 17.852 11.708 4.538 27 HD2 LYS 3 2HD LYS 3 16.248 12.909 5.939 28 HD3 LYS 3 1HD LYS 3 16.217 11.558 7.074 29 HE2 LYS 3 2HE LYS 3 17.686 13.115 8.038 30 HE3 LYS 3 1HE LYS 3 18.740 11.912 7.294 31 HZ1 LYS 3 3HZ LYS 3 19.642 13.964 6.690 32 HZ2 LYS 3 1HZ LYS 3 18.126 14.648 6.358 33 HZ3 LYS 3 2HZ LYS 3 18.777 13.485 5.311 34 H ASP 4 HN ASP 4 13.087 11.192 4.980 35 HA ASP 4 HA ASP 4 11.147 11.091 3.821 36 HB2 ASP 4 2HB ASP 4 12.580 10.284 1.927 37 HB3 ASP 4 1HB ASP 4 12.212 8.633 2.422 38 H LYS 5 HN LYS 5 9.591 10.688 5.199 39 HA LYS 5 HA LYS 5 9.322 8.264 6.656 40 HB2 LYS 5 2HB LYS 5 8.543 10.472 7.487 41 HB3 LYS 5 1HB LYS 5 7.293 10.471 6.251 42 HG2 LYS 5 2HG LYS 5 6.322 9.807 8.334 43 HG3 LYS 5 1HG LYS 5 6.363 8.406 7.260 44 HD2 LYS 5 2HD LYS 5 8.474 7.699 8.387 45 HD3 LYS 5 1HD LYS 5 8.243 9.017 9.537 46 HE2 LYS 5 2HE LYS 5 6.052 8.040 10.147 47 HE3 LYS 5 1HE LYS 5 6.389 6.684 9.070 48 HZ1 LYS 5 3HZ LYS 5 7.743 7.417 11.591 49 HZ2 LYS 5 1HZ LYS 5 8.494 6.406 10.453 50 HZ3 LYS 5 2HZ LYS 5 7.026 5.944 11.160 51 H GLN 6 HN GLN 6 8.106 9.387 3.597 52 HA GLN 6 HA GLN 6 5.750 7.809 3.521 53 HB2 GLN 6 2HB GLN 6 6.117 9.834 2.128 54 HB3 GLN 6 1HB GLN 6 7.309 8.941 1.192 55 HG2 GLN 6 2HG GLN 6 5.142 9.050 0.066 56 HG3 GLN 6 1HG GLN 6 5.613 7.394 0.443 57 HE21 GLN 6 1HE2 GLN 6 3.412 9.988 1.190 58 HE22 GLN 6 2HE2 GLN 6 2.299 9.039 2.118 59 H LYS 7 HN LYS 7 9.036 7.307 2.286 60 HA LYS 7 HA LYS 7 8.597 4.945 0.879 61 HB2 LYS 7 2HB LYS 7 11.035 5.810 2.441 62 HB3 LYS 7 1HB LYS 7 11.004 4.427 1.354 63 HG2 LYS 7 2HG LYS 7 10.372 5.961 -0.489 64 HG3 LYS 7 1HG LYS 7 10.573 7.314 0.625 65 HD2 LYS 7 2HD LYS 7 12.914 6.694 0.959 66 HD3 LYS 7 1HD LYS 7 12.714 5.334 -0.149 67 HE2 LYS 7 2HE LYS 7 12.077 6.946 -1.923 68 HE3 LYS 7 1HE LYS 7 12.442 8.261 -0.808 69 HZ1 LYS 7 3HZ LYS 7 14.285 7.816 -2.300 70 HZ2 LYS 7 1HZ LYS 7 14.378 6.215 -1.755 71 HZ3 LYS 7 2HZ LYS 7 14.729 7.488 -0.701 72 H ALA 8 HN ALA 8 8.970 5.455 4.320 73 HA ALA 8 HA ALA 8 9.200 2.695 4.993 74 HB1 ALA 8 1HB ALA 8 8.347 5.011 6.725 75 HB2 ALA 8 2HB ALA 8 10.008 4.480 6.469 76 HB3 ALA 8 3HB ALA 8 8.860 3.421 7.289 77 H ILE 9 HN ILE 9 6.491 5.000 4.979 78 HA ILE 9 HA ILE 9 4.597 3.155 6.022 79 HB ILE 9 HB ILE 9 4.083 5.643 4.384 80 HG12 ILE 9 2HG1 ILE 9 4.170 5.264 7.388 81 HG13 ILE 9 1HG1 ILE 9 5.395 6.091 6.430 82 HG21 ILE 9 1HG2 ILE 9 1.860 5.599 5.446 83 HG22 ILE 9 2HG2 ILE 9 2.265 4.054 6.193 84 HG23 ILE 9 3HG2 ILE 9 2.149 4.182 4.438 85 HD11 ILE 9 3HD1 ILE 9 3.739 7.777 5.787 86 HD12 ILE 9 1HD1 ILE 9 3.935 7.676 7.536 87 HD13 ILE 9 2HD1 ILE 9 2.529 6.948 6.764 88 H PHE 10 HN PHE 10 5.212 4.351 2.729 89 HA PHE 10 HA PHE 10 3.213 2.903 1.427 90 HB2 PHE 10 2HB PHE 10 4.371 4.759 0.363 91 HB3 PHE 10 1HB PHE 10 5.889 3.872 0.395 92 HD1 PHE 10 2HD PHE 10 2.508 3.945 -1.103 93 HD2 PHE 10 1HD PHE 10 6.457 2.374 -1.326 94 HE1 PHE 10 2HE PHE 10 2.021 3.047 -3.341 95 HE2 PHE 10 1HE PHE 10 5.977 1.475 -3.565 96 HZ PHE 10 HZ PHE 10 3.758 1.811 -4.576 97 H SER 11 HN SER 11 6.640 2.056 1.922 98 HA SER 11 HA SER 11 6.438 -0.393 0.499 99 HB2 SER 11 2HB SER 11 8.569 0.908 0.973 100 HB3 SER 11 1HB SER 11 8.503 0.253 2.608 101 HG SER 11 HG SER 11 9.065 -1.015 0.193 102 H GLU 12 HN GLU 12 6.096 0.480 3.905 103 HA GLU 12 HA GLU 12 5.971 -2.107 4.982 104 HB2 GLU 12 2HB GLU 12 6.087 0.071 6.257 105 HB3 GLU 12 1HB GLU 12 4.372 0.277 5.927 106 HG2 GLU 12 2HG GLU 12 4.589 -0.610 8.118 107 HG3 GLU 12 1HG GLU 12 3.963 -1.893 7.083 108 H ASN 13 HN ASN 13 3.318 0.025 3.887 109 HA ASN 13 HA ASN 13 1.232 -1.814 4.272 110 HB2 ASN 13 2HB ASN 13 1.529 0.501 2.363 111 HB3 ASN 13 1HB ASN 13 0.057 -0.457 2.459 112 HD21 ASN 13 1HD2 ASN 13 -1.187 1.213 3.139 113 HD22 ASN 13 2HD2 ASN 13 -1.040 1.947 4.698 114 H LEU 14 HN LEU 14 3.174 -1.119 1.387 115 HA LEU 14 HA LEU 14 1.968 -2.901 -0.379 116 HB2 LEU 14 2HB LEU 14 3.651 -1.184 -0.981 117 HB3 LEU 14 1HB LEU 14 4.891 -2.156 -0.214 118 HG LEU 14 HG LEU 14 4.447 -3.958 -1.868 119 HD11 LEU 14 1HD1 LEU 14 2.684 -1.884 -3.163 120 HD12 LEU 14 2HD1 LEU 14 2.141 -3.383 -2.410 121 HD13 LEU 14 3HD1 LEU 14 3.143 -3.436 -3.860 122 HD21 LEU 14 3HD2 LEU 14 5.526 -2.821 -3.752 123 HD22 LEU 14 1HD2 LEU 14 6.267 -2.387 -2.213 124 HD23 LEU 14 2HD2 LEU 14 5.169 -1.263 -3.010 125 H ASN 15 HN ASN 15 4.645 -3.408 1.883 126 HA ASN 15 HA ASN 15 5.277 -6.051 1.246 127 HB2 ASN 15 2HB ASN 15 6.050 -4.181 3.201 128 HB3 ASN 15 1HB ASN 15 5.511 -5.602 4.088 129 HD21 ASN 15 1HD2 ASN 15 7.918 -4.234 2.083 130 HD22 ASN 15 2HD2 ASN 15 9.004 -5.581 2.097 131 H SER 16 HN SER 16 2.865 -4.746 3.472 132 HA SER 16 HA SER 16 2.165 -7.098 4.782 133 HB2 SER 16 2HB SER 16 0.402 -4.733 4.104 134 HB3 SER 16 1HB SER 16 0.043 -5.958 5.318 135 HG SER 16 HG SER 16 2.458 -5.071 5.879 136 H TYR 17 HN TYR 17 0.678 -5.652 1.878 137 HA TYR 17 HA TYR 17 -1.224 -7.740 1.548 138 HB2 TYR 17 2HB TYR 17 -0.210 -5.615 -0.344 139 HB3 TYR 17 1HB TYR 17 -1.473 -6.761 -0.778 140 HD1 TYR 17 1HD TYR 17 -0.641 -3.841 1.272 141 HD2 TYR 17 2HD TYR 17 -3.685 -6.607 0.204 142 HE1 TYR 17 1HE TYR 17 -2.326 -2.363 2.283 143 HE2 TYR 17 2HE TYR 17 -5.381 -5.141 1.211 144 HH TYR 17 HH TYR 17 -4.739 -1.931 2.109 145 H ILE 18 HN ILE 18 1.940 -7.098 0.068 146 HA ILE 18 HA ILE 18 1.903 -9.213 -1.778 147 HB ILE 18 HB ILE 18 4.260 -7.926 -0.391 148 HG12 ILE 18 2HG1 ILE 18 3.118 -7.499 -3.160 149 HG13 ILE 18 1HG1 ILE 18 2.865 -6.424 -1.788 150 HG21 ILE 18 1HG2 ILE 18 4.882 -10.131 -1.211 151 HG22 ILE 18 2HG2 ILE 18 5.634 -8.867 -2.188 152 HG23 ILE 18 3HG2 ILE 18 4.228 -9.738 -2.804 153 HD11 ILE 18 3HD1 ILE 18 4.577 -5.558 -3.256 154 HD12 ILE 18 1HD1 ILE 18 5.507 -7.049 -3.091 155 HD13 ILE 18 2HD1 ILE 18 5.271 -5.995 -1.697 156 H ALA 19 HN ALA 19 3.127 -9.080 1.555 157 HA ALA 19 HA ALA 19 4.108 -11.752 1.528 158 HB1 ALA 19 1HB ALA 19 4.469 -11.440 3.907 159 HB2 ALA 19 2HB ALA 19 3.472 -9.983 3.885 160 HB3 ALA 19 3HB ALA 19 5.002 -10.021 3.005 161 H LYS 20 HN LYS 20 0.975 -10.437 1.951 162 HA LYS 20 HA LYS 20 -0.048 -12.640 3.501 163 HB2 LYS 20 2HB LYS 20 -1.163 -10.148 2.340 164 HB3 LYS 20 1HB LYS 20 -2.278 -11.467 2.632 165 HG2 LYS 20 2HG LYS 20 -1.467 -11.548 4.987 166 HG3 LYS 20 1HG LYS 20 -0.501 -10.116 4.647 167 HD2 LYS 20 2HD LYS 20 -2.494 -8.832 4.180 168 HD3 LYS 20 1HD LYS 20 -3.500 -10.272 4.366 169 HE2 LYS 20 2HE LYS 20 -2.741 -10.456 6.708 170 HE3 LYS 20 1HE LYS 20 -1.830 -8.960 6.508 171 HZ1 LYS 20 3HZ LYS 20 -3.956 -8.560 7.573 172 HZ2 LYS 20 1HZ LYS 20 -4.780 -9.244 6.260 173 HZ3 LYS 20 2HZ LYS 20 -3.911 -7.799 6.059 174 H SER 21 HN SER 21 0.553 -12.025 0.219 175 HA SER 21 HA SER 21 -1.201 -14.217 -0.619 176 HB2 SER 21 2HB SER 21 -1.238 -12.129 -1.970 177 HB3 SER 21 1HB SER 21 0.483 -12.330 -2.297 178 HG SER 21 HG SER 21 -1.703 -13.654 -3.369 179 H GLU 22 HN GLU 22 -0.383 -16.160 -1.324 180 HA GLU 22 HA GLU 22 2.518 -16.489 -1.075 181 HB2 GLU 22 2HB GLU 22 0.996 -18.000 0.238 182 HB3 GLU 22 1HB GLU 22 0.443 -18.677 -1.287 183 HG2 GLU 22 2HG GLU 22 2.597 -19.552 -1.774 184 HG3 GLU 22 1HG GLU 22 3.325 -18.659 -0.439 185 H LYS 23 HN LYS 23 3.290 -15.774 -2.939 186 HA LYS 23 HA LYS 23 3.001 -17.363 -5.301 187 HB2 LYS 23 2HB LYS 23 1.040 -15.599 -5.209 188 HB3 LYS 23 1HB LYS 23 2.302 -14.461 -5.657 189 HG2 LYS 23 2HG LYS 23 2.773 -15.765 -7.666 190 HG3 LYS 23 1HG LYS 23 1.516 -16.918 -7.212 191 HD2 LYS 23 2HD LYS 23 -0.136 -15.059 -7.281 192 HD3 LYS 23 1HD LYS 23 1.143 -13.998 -7.879 193 HE2 LYS 23 2HE LYS 23 1.453 -15.538 -9.796 194 HE3 LYS 23 1HE LYS 23 0.084 -16.485 -9.219 195 HZ1 LYS 23 3HZ LYS 23 -0.603 -14.976 -10.948 196 HZ2 LYS 23 1HZ LYS 23 0.011 -13.646 -10.094 197 HZ3 LYS 23 2HZ LYS 23 -1.315 -14.504 -9.482 198 H THR 24 HN THR 24 4.274 -15.768 -7.138 199 HA THR 24 HA THR 24 6.767 -15.185 -5.713 200 HB THR 24 HB THR 24 7.752 -15.245 -8.077 201 HG1 THR 24 1HG THR 24 6.483 -16.471 -9.568 202 HG21 THR 24 3HG2 THR 24 6.559 -17.738 -6.866 203 HG22 THR 24 1HG2 THR 24 8.117 -17.018 -6.461 204 HG23 THR 24 2HG2 THR 24 7.855 -17.710 -8.063 205 H GLN 25 HN GLN 25 7.732 -13.242 -5.773 206 HA GLN 25 HA GLN 25 6.284 -10.919 -6.400 207 HB2 GLN 25 2HB GLN 25 9.240 -11.371 -5.990 208 HB3 GLN 25 1HB GLN 25 8.514 -9.780 -6.159 209 HG2 GLN 25 2HG GLN 25 7.189 -10.138 -4.165 210 HG3 GLN 25 1HG GLN 25 7.818 -11.778 -4.018 211 HE21 GLN 25 1HE2 GLN 25 8.535 -8.391 -3.671 212 HE22 GLN 25 2HE2 GLN 25 9.996 -8.594 -2.772 213 H LEU 26 HN LEU 26 8.624 -12.798 -8.204 214 HA LEU 26 HA LEU 26 9.130 -11.165 -10.366 215 HB2 LEU 26 2HB LEU 26 9.771 -13.692 -9.666 216 HB3 LEU 26 1HB LEU 26 8.620 -14.021 -10.946 217 HG LEU 26 HG LEU 26 11.022 -12.243 -11.289 218 HD11 LEU 26 1HD1 LEU 26 11.745 -14.497 -10.740 219 HD12 LEU 26 2HD1 LEU 26 12.070 -14.124 -12.432 220 HD13 LEU 26 3HD1 LEU 26 10.701 -15.151 -12.004 221 HD21 LEU 26 3HD2 LEU 26 9.238 -11.828 -12.889 222 HD22 LEU 26 1HD2 LEU 26 9.174 -13.548 -13.284 223 HD23 LEU 26 2HD2 LEU 26 10.610 -12.605 -13.679 224 H GLU 27 HN GLU 27 6.404 -13.428 -9.917 225 HA GLU 27 HA GLU 27 5.138 -13.079 -12.355 226 HB2 GLU 27 2HB GLU 27 4.708 -14.552 -10.146 227 HB3 GLU 27 1HB GLU 27 3.463 -13.337 -9.919 228 HG2 GLU 27 2HG GLU 27 3.783 -15.093 -12.336 229 HG3 GLU 27 1HG GLU 27 2.649 -15.339 -11.018 230 H ILE 28 HN ILE 28 4.768 -11.267 -9.334 231 HA ILE 28 HA ILE 28 2.723 -9.539 -10.216 232 HB ILE 28 HB ILE 28 4.830 -8.972 -8.120 233 HG12 ILE 28 2HG1 ILE 28 2.112 -10.277 -7.815 234 HG13 ILE 28 1HG1 ILE 28 3.653 -11.123 -7.739 235 HG21 ILE 28 1HG2 ILE 28 3.155 -7.474 -7.156 236 HG22 ILE 28 2HG2 ILE 28 2.050 -7.857 -8.476 237 HG23 ILE 28 3HG2 ILE 28 3.554 -6.999 -8.809 238 HD11 ILE 28 3HD1 ILE 28 2.708 -8.994 -5.833 239 HD12 ILE 28 1HD1 ILE 28 4.259 -9.829 -5.753 240 HD13 ILE 28 2HD1 ILE 28 2.759 -10.728 -5.520 241 H ALA 29 HN ALA 29 6.259 -9.144 -10.082 242 HA ALA 29 HA ALA 29 6.357 -6.524 -11.113 243 HB1 ALA 29 1HB ALA 29 8.454 -8.686 -11.330 244 HB2 ALA 29 2HB ALA 29 8.241 -7.602 -9.955 245 HB3 ALA 29 3HB ALA 29 8.714 -6.952 -11.525 246 H LYS 30 HN LYS 30 6.433 -9.679 -12.683 247 HA LYS 30 HA LYS 30 6.921 -8.805 -15.309 248 HB2 LYS 30 2HB LYS 30 7.214 -11.114 -14.726 249 HB3 LYS 30 1HB LYS 30 5.552 -11.254 -14.187 250 HG2 LYS 30 2HG LYS 30 6.131 -10.607 -17.044 251 HG3 LYS 30 1HG LYS 30 6.282 -12.267 -16.460 252 HD2 LYS 30 2HD LYS 30 3.971 -12.192 -15.653 253 HD3 LYS 30 1HD LYS 30 3.818 -10.535 -16.234 254 HE2 LYS 30 2HE LYS 30 4.282 -11.357 -18.528 255 HE3 LYS 30 1HE LYS 30 4.272 -13.005 -17.898 256 HZ1 LYS 30 3HZ LYS 30 1.976 -12.494 -17.057 257 HZ2 LYS 30 1HZ LYS 30 2.125 -12.590 -18.744 258 HZ3 LYS 30 2HZ LYS 30 2.026 -11.077 -17.984 259 H SER 31 HN SER 31 3.915 -9.262 -13.493 260 HA SER 31 HA SER 31 2.157 -8.698 -15.631 261 HB2 SER 31 2HB SER 31 1.451 -9.810 -13.531 262 HB3 SER 31 1HB SER 31 1.694 -8.296 -12.662 263 HG SER 31 HG SER 31 -0.077 -8.616 -14.856 264 H ILE 32 HN ILE 32 3.658 -6.652 -13.165 265 HA ILE 32 HA ILE 32 2.440 -4.217 -13.918 266 HB ILE 32 HB ILE 32 5.179 -4.647 -12.704 267 HG12 ILE 32 2HG1 ILE 32 2.549 -4.044 -11.330 268 HG13 ILE 32 1HG1 ILE 32 3.292 -5.643 -11.404 269 HG21 ILE 32 1HG2 ILE 32 3.428 -2.187 -12.767 270 HG22 ILE 32 2HG2 ILE 32 4.939 -2.416 -13.645 271 HG23 ILE 32 3HG2 ILE 32 4.947 -2.346 -11.885 272 HD11 ILE 32 3HD1 ILE 32 4.470 -3.198 -10.093 273 HD12 ILE 32 1HD1 ILE 32 5.221 -4.792 -10.171 274 HD13 ILE 32 2HD1 ILE 32 3.721 -4.569 -9.273 275 H GLY 33 HN GLY 33 5.444 -5.792 -14.919 276 HA2 GLY 33 2HA GLY 33 6.087 -5.652 -17.266 277 HA3 GLY 33 1HA GLY 33 5.503 -3.994 -17.260 278 H VAL 34 HN VAL 34 7.296 -5.208 -14.560 279 HA VAL 34 HA VAL 34 9.637 -3.650 -15.440 280 HB VAL 34 HB VAL 34 10.031 -3.023 -13.079 281 HG11 VAL 34 1HG1 VAL 34 8.944 -1.429 -14.513 282 HG12 VAL 34 2HG1 VAL 34 8.206 -1.356 -12.913 283 HG13 VAL 34 3HG1 VAL 34 7.375 -2.184 -14.230 284 HG21 VAL 34 3HG2 VAL 34 7.320 -4.263 -12.610 285 HG22 VAL 34 1HG2 VAL 34 8.186 -3.256 -11.452 286 HG23 VAL 34 2HG2 VAL 34 8.861 -4.809 -11.946 287 H SER 35 HN SER 35 11.587 -4.218 -13.936 288 HA SER 35 HA SER 35 11.903 -7.099 -14.053 289 HB2 SER 35 2HB SER 35 13.851 -4.902 -13.311 290 HB3 SER 35 1HB SER 35 14.271 -6.604 -13.516 291 HG SER 35 HG SER 35 13.163 -6.199 -15.705 292 HA PRO 36 HA PRO 36 10.959 -8.147 -9.924 293 HB2 PRO 36 2HB PRO 36 13.473 -9.731 -9.927 294 HB3 PRO 36 1HB PRO 36 11.823 -10.241 -9.568 295 HG2 PRO 36 2HG PRO 36 12.974 -10.884 -11.877 296 HG3 PRO 36 1HG PRO 36 11.258 -10.439 -11.808 297 HD2 PRO 36 2HD PRO 36 13.600 -8.839 -12.742 298 HD3 PRO 36 1HD PRO 36 11.943 -8.894 -13.379 299 H GLN 37 HN GLN 37 14.377 -7.282 -10.513 300 HA GLN 37 HA GLN 37 14.943 -6.738 -7.777 301 HB2 GLN 37 2HB GLN 37 16.329 -6.043 -10.345 302 HB3 GLN 37 1HB GLN 37 16.903 -5.422 -8.804 303 HG2 GLN 37 2HG GLN 37 16.528 -8.345 -9.406 304 HG3 GLN 37 1HG GLN 37 18.052 -7.483 -9.602 305 HE21 GLN 37 1HE2 GLN 37 19.057 -8.805 -8.086 306 HE22 GLN 37 2HE2 GLN 37 18.773 -8.638 -6.392 307 H THR 38 HN THR 38 13.552 -4.852 -10.350 308 HA THR 38 HA THR 38 13.916 -2.302 -9.097 309 HB THR 38 HB THR 38 11.746 -3.008 -11.085 310 HG1 THR 38 1HG THR 38 14.534 -2.774 -11.409 311 HG21 THR 38 3HG2 THR 38 12.032 -0.679 -11.787 312 HG22 THR 38 1HG2 THR 38 13.298 -0.463 -10.581 313 HG23 THR 38 2HG2 THR 38 11.638 -0.770 -10.070 314 H PHE 39 HN PHE 39 11.437 -4.754 -9.245 315 HA PHE 39 HA PHE 39 9.502 -3.502 -7.602 316 HB2 PHE 39 2HB PHE 39 9.140 -5.450 -9.141 317 HB3 PHE 39 1HB PHE 39 10.034 -6.456 -8.014 318 HD1 PHE 39 1HD PHE 39 7.037 -4.277 -8.233 319 HD2 PHE 39 2HD PHE 39 8.947 -7.541 -6.282 320 HE1 PHE 39 1HE PHE 39 4.960 -4.753 -7.006 321 HE2 PHE 39 2HE PHE 39 6.873 -8.024 -5.049 322 HZ PHE 39 HZ PHE 39 4.875 -6.628 -5.412 323 H ASN 40 HN ASN 40 12.255 -5.579 -7.015 324 HA ASN 40 HA ASN 40 11.839 -6.133 -4.294 325 HB2 ASN 40 2HB ASN 40 13.411 -7.374 -5.744 326 HB3 ASN 40 1HB ASN 40 14.450 -5.958 -5.816 327 HD21 ASN 40 1HD2 ASN 40 16.162 -7.129 -4.968 328 HD22 ASN 40 2HD2 ASN 40 16.242 -7.555 -3.289 329 H THR 41 HN THR 41 13.678 -3.525 -5.894 330 HA THR 41 HA THR 41 14.649 -2.371 -3.520 331 HB THR 41 HB THR 41 14.769 -0.231 -4.998 332 HG1 THR 41 1HG THR 41 13.219 -1.288 -6.563 333 HG21 THR 41 3HG2 THR 41 16.689 -1.637 -4.453 334 HG22 THR 41 1HG2 THR 41 16.761 -1.105 -6.132 335 HG23 THR 41 2HG2 THR 41 16.258 -2.751 -5.748 336 H TRP 42 HN TRP 42 11.584 -1.980 -5.213 337 HA TRP 42 HA TRP 42 10.654 0.224 -3.662 338 HB2 TRP 42 2HB TRP 42 9.087 -1.917 -5.126 339 HB3 TRP 42 1HB TRP 42 8.409 -0.433 -4.472 340 HD1 TRP 42 1HD TRP 42 11.041 1.314 -5.634 341 HE1 TRP 42 1HE TRP 42 10.945 1.950 -8.128 342 HE3 TRP 42 3HE TRP 42 7.609 -2.127 -7.220 343 HZ2 TRP 42 2HZ TRP 42 9.585 1.117 -10.449 344 HZ3 TRP 42 3HZ TRP 42 6.963 -2.139 -9.595 345 HH2 TRP 42 2HH TRP 42 7.935 -0.552 -11.174 346 H CYS 43 HN CYS 43 10.419 -3.275 -3.406 347 HA CYS 43 HA CYS 43 8.663 -3.286 -1.172 348 HB2 CYS 43 2HB CYS 43 8.935 -5.155 -2.825 349 HB3 CYS 43 1HB CYS 43 10.507 -5.492 -2.111 350 HG CYS 43 HG CYS 43 8.368 -5.458 0.333 351 H LYS 44 HN LYS 44 12.019 -2.746 -1.491 352 HA LYS 44 HA LYS 44 12.548 -3.373 1.297 353 HB2 LYS 44 2HB LYS 44 14.266 -2.518 -1.023 354 HB3 LYS 44 1HB LYS 44 14.872 -2.551 0.618 355 HG2 LYS 44 2HG LYS 44 14.328 -4.948 0.752 356 HG3 LYS 44 1HG LYS 44 13.797 -4.890 -0.930 357 HD2 LYS 44 2HD LYS 44 16.038 -4.230 -1.629 358 HD3 LYS 44 1HD LYS 44 16.573 -4.235 0.052 359 HE2 LYS 44 2HE LYS 44 15.501 -6.632 -1.426 360 HE3 LYS 44 1HE LYS 44 17.212 -6.283 -1.184 361 HZ1 LYS 44 3HZ LYS 44 16.912 -6.472 1.182 362 HZ2 LYS 44 1HZ LYS 44 16.325 -7.876 0.436 363 HZ3 LYS 44 2HZ LYS 44 15.241 -6.704 1.004 364 H GLY 45 HN GLY 45 11.265 -0.857 -0.411 365 HA2 GLY 45 2HA GLY 45 10.663 1.256 0.301 366 HA3 GLY 45 1HA GLY 45 11.477 0.923 1.820 367 H ILE 46 HN ILE 46 13.202 0.598 -1.172 368 HA ILE 46 HA ILE 46 15.077 2.616 -0.324 369 HB ILE 46 HB ILE 46 15.030 0.953 -2.849 370 HG12 ILE 46 2HG1 ILE 46 16.573 0.586 -0.270 371 HG13 ILE 46 1HG1 ILE 46 15.198 -0.385 -0.783 372 HG21 ILE 46 1HG2 ILE 46 16.351 2.986 -3.118 373 HG22 ILE 46 2HG2 ILE 46 17.386 1.562 -3.070 374 HG23 ILE 46 3HG2 ILE 46 17.255 2.603 -1.653 375 HD11 ILE 46 3HD1 ILE 46 16.487 -1.173 -2.707 376 HD12 ILE 46 1HD1 ILE 46 17.272 -1.555 -1.175 377 HD13 ILE 46 2HD1 ILE 46 17.869 -0.220 -2.161 378 H ALA 47 HN ALA 47 12.660 2.235 -2.861 379 HA ALA 47 HA ALA 47 12.650 5.108 -3.276 380 HB1 ALA 47 1HB ALA 47 13.148 3.207 -5.564 381 HB2 ALA 47 2HB ALA 47 14.332 4.323 -4.879 382 HB3 ALA 47 3HB ALA 47 12.896 4.946 -5.693 383 H ILE 48 HN ILE 48 10.783 5.845 -4.436 384 HA ILE 48 HA ILE 48 8.601 3.857 -4.500 385 HB ILE 48 HB ILE 48 8.463 6.813 -3.891 386 HG12 ILE 48 2HG1 ILE 48 7.653 4.423 -2.232 387 HG13 ILE 48 1HG1 ILE 48 9.183 5.268 -2.064 388 HG21 ILE 48 1HG2 ILE 48 6.569 6.196 -5.282 389 HG22 ILE 48 2HG2 ILE 48 6.046 6.510 -3.628 390 HG23 ILE 48 3HG2 ILE 48 6.195 4.850 -4.206 391 HD11 ILE 48 3HD1 ILE 48 7.606 5.959 -0.366 392 HD12 ILE 48 1HD1 ILE 48 6.454 6.442 -1.609 393 HD13 ILE 48 2HD1 ILE 48 7.983 7.302 -1.443 394 HA PRO 49 HA PRO 49 8.623 4.719 -8.865 395 HB2 PRO 49 2HB PRO 49 6.540 3.154 -9.529 396 HB3 PRO 49 1HB PRO 49 8.087 2.472 -9.014 397 HG2 PRO 49 2HG PRO 49 5.597 2.917 -7.389 398 HG3 PRO 49 1HG PRO 49 6.610 1.462 -7.498 399 HD2 PRO 49 2HD PRO 49 6.858 3.235 -5.465 400 HD3 PRO 49 1HD PRO 49 8.245 2.343 -6.123 401 H ARG 50 HN ARG 50 7.130 5.579 -10.517 402 HA ARG 50 HA ARG 50 5.448 7.629 -9.397 403 HB2 ARG 50 2HB ARG 50 6.258 6.905 -12.193 404 HB3 ARG 50 1HB ARG 50 5.005 8.103 -11.895 405 HG2 ARG 50 2HG ARG 50 6.663 9.334 -10.471 406 HG3 ARG 50 1HG ARG 50 7.889 8.208 -11.057 407 HD2 ARG 50 2HD ARG 50 7.835 10.327 -12.330 408 HD3 ARG 50 1HD ARG 50 7.518 8.911 -13.330 409 HE ARG 50 HE ARG 50 5.054 9.585 -12.865 410 HH11 ARG 50 1HH1 ARG 50 7.719 11.816 -13.369 411 HH12 ARG 50 2HH1 ARG 50 6.710 13.036 -14.093 412 HH21 ARG 50 1HH2 ARG 50 3.749 11.162 -13.821 413 HH22 ARG 50 2HH2 ARG 50 4.456 12.658 -14.366 414 H MET 51 HN MET 51 3.321 8.044 -10.706 415 HA MET 51 HA MET 51 1.444 6.291 -9.682 416 HB2 MET 51 2HB MET 51 0.953 8.604 -10.310 417 HB3 MET 51 1HB MET 51 1.144 8.197 -12.009 418 HG2 MET 51 2HG MET 51 -1.194 8.351 -11.426 419 HG3 MET 51 1HG MET 51 -0.776 6.698 -11.872 420 HE1 MET 51 3HE MET 51 -3.573 6.258 -9.144 421 HE2 MET 51 1HE MET 51 -3.103 5.915 -10.807 422 HE3 MET 51 2HE MET 51 -3.463 7.571 -10.317 423 H GLY 52 HN GLY 52 2.956 6.260 -12.859 424 HA2 GLY 52 2HA GLY 52 1.222 4.532 -14.195 425 HA3 GLY 52 1HA GLY 52 2.939 4.679 -14.527 426 H LYS 53 HN LYS 53 3.683 3.807 -11.814 427 HA LYS 53 HA LYS 53 3.293 0.936 -12.244 428 HB2 LYS 53 2HB LYS 53 5.402 2.560 -10.871 429 HB3 LYS 53 1HB LYS 53 5.184 0.873 -10.435 430 HG2 LYS 53 2HG LYS 53 6.957 1.129 -12.066 431 HG3 LYS 53 1HG LYS 53 5.616 0.210 -12.742 432 HD2 LYS 53 2HD LYS 53 4.867 2.125 -13.994 433 HD3 LYS 53 1HD LYS 53 6.058 3.161 -13.203 434 HE2 LYS 53 2HE LYS 53 7.864 1.958 -14.245 435 HE3 LYS 53 1HE LYS 53 6.739 0.784 -14.928 436 HZ1 LYS 53 3HZ LYS 53 7.595 2.690 -16.404 437 HZ2 LYS 53 1HZ LYS 53 6.478 3.653 -15.570 438 HZ3 LYS 53 2HZ LYS 53 5.947 2.308 -16.459 439 H VAL 54 HN VAL 54 2.877 3.474 -9.827 440 HA VAL 54 HA VAL 54 2.180 1.843 -7.642 441 HB VAL 54 HB VAL 54 1.241 4.654 -8.264 442 HG11 VAL 54 1HG1 VAL 54 0.786 4.837 -5.867 443 HG12 VAL 54 2HG1 VAL 54 1.216 3.141 -5.652 444 HG13 VAL 54 3HG1 VAL 54 -0.199 3.577 -6.610 445 HG21 VAL 54 3HG2 VAL 54 3.544 3.661 -6.593 446 HG22 VAL 54 1HG2 VAL 54 3.028 5.341 -6.728 447 HG23 VAL 54 2HG2 VAL 54 3.658 4.496 -8.143 448 H GLN 55 HN GLN 55 0.214 3.286 -10.215 449 HA GLN 55 HA GLN 55 -2.303 2.467 -9.300 450 HB2 GLN 55 2HB GLN 55 -1.681 4.059 -11.230 451 HB3 GLN 55 1HB GLN 55 -1.536 2.613 -12.214 452 HG2 GLN 55 2HG GLN 55 -4.060 3.111 -10.699 453 HG3 GLN 55 1HG GLN 55 -3.741 3.999 -12.184 454 HE21 GLN 55 1HE2 GLN 55 -4.558 0.934 -10.801 455 HE22 GLN 55 2HE2 GLN 55 -4.864 0.118 -12.297 456 H ALA 56 HN ALA 56 0.103 0.828 -11.307 457 HA ALA 56 HA ALA 56 -1.428 -1.445 -11.942 458 HB1 ALA 56 1HB ALA 56 0.672 -2.481 -12.568 459 HB2 ALA 56 2HB ALA 56 1.571 -1.230 -11.711 460 HB3 ALA 56 3HB ALA 56 0.622 -0.813 -13.137 461 H LEU 57 HN LEU 57 0.679 -0.707 -9.215 462 HA LEU 57 HA LEU 57 0.721 -3.223 -7.994 463 HB2 LEU 57 2HB LEU 57 0.811 -0.449 -6.815 464 HB3 LEU 57 1HB LEU 57 1.077 -1.904 -5.878 465 HG LEU 57 HG LEU 57 2.777 -1.074 -8.229 466 HD11 LEU 57 1HD1 LEU 57 3.297 -0.788 -5.273 467 HD12 LEU 57 2HD1 LEU 57 3.005 0.529 -6.411 468 HD13 LEU 57 3HD1 LEU 57 4.458 -0.461 -6.561 469 HD21 LEU 57 3HD2 LEU 57 4.313 -2.772 -7.380 470 HD22 LEU 57 1HD2 LEU 57 2.754 -3.478 -7.803 471 HD23 LEU 57 2HD2 LEU 57 3.163 -3.188 -6.112 472 H ALA 58 HN ALA 58 -1.462 -0.470 -7.476 473 HA ALA 58 HA ALA 58 -3.116 -1.840 -5.608 474 HB1 ALA 58 1HB ALA 58 -3.718 0.648 -7.210 475 HB2 ALA 58 2HB ALA 58 -2.920 0.599 -5.638 476 HB3 ALA 58 3HB ALA 58 -4.599 0.084 -5.791 477 H ASP 59 HN ASP 59 -2.976 -1.728 -9.027 478 HA ASP 59 HA ASP 59 -5.701 -2.493 -9.501 479 HB2 ASP 59 2HB ASP 59 -4.241 -1.231 -11.127 480 HB3 ASP 59 1HB ASP 59 -3.360 -2.730 -11.401 481 H TYR 60 HN TYR 60 -2.576 -4.121 -9.366 482 HA TYR 60 HA TYR 60 -3.361 -6.639 -10.279 483 HB2 TYR 60 2HB TYR 60 -1.004 -5.843 -9.913 484 HB3 TYR 60 1HB TYR 60 -1.249 -6.088 -8.189 485 HD1 TYR 60 1HD TYR 60 -1.224 -7.862 -11.457 486 HD2 TYR 60 2HD TYR 60 -0.916 -8.214 -7.225 487 HE1 TYR 60 1HE TYR 60 -0.545 -10.211 -11.708 488 HE2 TYR 60 2HE TYR 60 -0.234 -10.566 -7.468 489 HH TYR 60 HH TYR 60 0.652 -11.922 -10.492 490 H PHE 61 HN PHE 61 -3.426 -5.273 -7.014 491 HA PHE 61 HA PHE 61 -4.557 -7.731 -5.946 492 HB2 PHE 61 2HB PHE 61 -3.898 -5.101 -4.607 493 HB3 PHE 61 1HB PHE 61 -4.475 -6.536 -3.778 494 HD1 PHE 61 2HD PHE 61 -3.036 -8.676 -4.042 495 HD2 PHE 61 1HD PHE 61 -1.634 -4.744 -4.860 496 HE1 PHE 61 2HE PHE 61 -0.717 -9.452 -3.781 497 HE2 PHE 61 1HE PHE 61 0.688 -5.514 -4.604 498 HZ PHE 61 HZ PHE 61 1.148 -7.872 -4.060 499 H ASN 62 HN ASN 62 -5.672 -5.063 -7.510 500 HA ASN 62 HA ASN 62 -7.615 -3.947 -7.743 501 HB2 ASN 62 2HB ASN 62 -8.359 -6.328 -8.200 502 HB3 ASN 62 1HB ASN 62 -8.975 -6.369 -6.550 503 HD21 ASN 62 1HD2 ASN 62 -10.775 -5.097 -6.015 504 HD22 ASN 62 2HD2 ASN 62 -11.798 -4.409 -7.230 505 H ILE 63 HN ILE 63 -6.628 -2.685 -5.950 506 HA ILE 63 HA ILE 63 -8.645 -2.385 -3.840 507 HB ILE 63 HB ILE 63 -6.815 -1.726 -2.242 508 HG12 ILE 63 2HG1 ILE 63 -5.049 -3.115 -4.272 509 HG13 ILE 63 1HG1 ILE 63 -5.040 -1.387 -3.929 510 HG21 ILE 63 1HG2 ILE 63 -6.250 -4.034 -1.617 511 HG22 ILE 63 2HG2 ILE 63 -6.831 -4.591 -3.186 512 HG23 ILE 63 3HG2 ILE 63 -7.955 -3.862 -2.038 513 HD11 ILE 63 3HD1 ILE 63 -4.306 -1.848 -1.651 514 HD12 ILE 63 1HD1 ILE 63 -3.190 -2.515 -2.841 515 HD13 ILE 63 2HD1 ILE 63 -4.317 -3.576 -1.996 516 H ASN 64 HN ASN 64 -7.646 -0.153 -2.604 517 HA ASN 64 HA ASN 64 -7.731 1.810 -4.757 518 HB2 ASN 64 2HB ASN 64 -7.859 2.122 -1.753 519 HB3 ASN 64 1HB ASN 64 -7.856 3.474 -2.880 520 HD21 ASN 64 1HD2 ASN 64 -9.685 0.872 -1.533 521 HD22 ASN 64 2HD2 ASN 64 -11.207 1.313 -2.221 522 H LYS 65 HN LYS 65 -6.198 3.572 -4.809 523 HA LYS 65 HA LYS 65 -3.526 2.602 -4.721 524 HB2 LYS 65 2HB LYS 65 -4.511 5.444 -5.107 525 HB3 LYS 65 1HB LYS 65 -2.885 4.870 -5.445 526 HG2 LYS 65 2HG LYS 65 -3.878 4.936 -7.540 527 HG3 LYS 65 1HG LYS 65 -4.031 3.240 -7.080 528 HD2 LYS 65 2HD LYS 65 -6.335 3.687 -6.312 529 HD3 LYS 65 1HD LYS 65 -6.173 5.356 -6.862 530 HE2 LYS 65 2HE LYS 65 -5.834 4.578 -9.142 531 HE3 LYS 65 1HE LYS 65 -5.961 2.904 -8.602 532 HZ1 LYS 65 3HZ LYS 65 -8.234 3.409 -7.838 533 HZ2 LYS 65 1HZ LYS 65 -8.047 3.609 -9.511 534 HZ3 LYS 65 2HZ LYS 65 -8.097 4.967 -8.504 535 H SER 66 HN SER 66 -5.505 4.644 -2.712 536 HA SER 66 HA SER 66 -3.456 5.656 -1.043 537 HB2 SER 66 2HB SER 66 -5.551 6.024 0.505 538 HB3 SER 66 1HB SER 66 -5.391 6.936 -0.996 539 HG SER 66 HG SER 66 -7.440 5.556 -0.357 540 H ASP 67 HN ASP 67 -5.040 2.594 -1.152 541 HA ASP 67 HA ASP 67 -4.790 1.864 1.572 542 HB2 ASP 67 2HB ASP 67 -5.132 0.314 -0.967 543 HB3 ASP 67 1HB ASP 67 -4.709 -0.541 0.513 544 H LEU 68 HN LEU 68 -2.564 1.895 -1.088 545 HA LEU 68 HA LEU 68 -0.579 0.380 0.419 546 HB2 LEU 68 2HB LEU 68 -0.519 1.521 -2.374 547 HB3 LEU 68 1HB LEU 68 0.773 0.582 -1.653 548 HG LEU 68 HG LEU 68 -2.021 -0.442 -2.178 549 HD11 LEU 68 1HD1 LEU 68 -0.777 -0.025 -4.238 550 HD12 LEU 68 2HD1 LEU 68 -0.994 -1.752 -3.952 551 HD13 LEU 68 3HD1 LEU 68 0.564 -0.991 -3.625 552 HD21 LEU 68 3HD2 LEU 68 -1.058 -2.624 -1.638 553 HD22 LEU 68 1HD2 LEU 68 -0.957 -1.517 -0.267 554 HD23 LEU 68 2HD2 LEU 68 0.477 -1.850 -1.240 555 H ILE 69 HN ILE 69 -1.454 3.615 -0.217 556 HA ILE 69 HA ILE 69 1.262 4.607 0.226 557 HB ILE 69 HB ILE 69 -1.200 6.211 -0.471 558 HG12 ILE 69 2HG1 ILE 69 0.969 5.142 -2.289 559 HG13 ILE 69 1HG1 ILE 69 -0.686 4.562 -2.229 560 HG21 ILE 69 1HG2 ILE 69 0.439 7.921 -1.147 561 HG22 ILE 69 2HG2 ILE 69 1.743 6.882 -0.571 562 HG23 ILE 69 3HG2 ILE 69 0.558 7.523 0.567 563 HD11 ILE 69 3HD1 ILE 69 -0.326 6.029 -4.128 564 HD12 ILE 69 1HD1 ILE 69 0.176 7.323 -3.041 565 HD13 ILE 69 2HD1 ILE 69 -1.485 6.728 -2.995 566 H GLU 70 HN GLU 70 -2.026 5.020 1.542 567 HA GLU 70 HA GLU 70 -1.003 6.773 3.599 568 HB2 GLU 70 2HB GLU 70 -3.779 5.893 2.834 569 HB3 GLU 70 1HB GLU 70 -3.433 6.967 4.172 570 HG2 GLU 70 2HG GLU 70 -2.836 7.480 1.274 571 HG3 GLU 70 1HG GLU 70 -4.108 8.234 2.235 572 H ASP 71 HN ASP 71 -1.585 6.498 5.820 573 HA ASP 71 HA ASP 71 -0.868 4.100 7.003 574 HB2 ASP 71 2HB ASP 71 -0.984 6.398 8.043 575 HB3 ASP 71 1HB ASP 71 -2.719 6.186 8.183 576 H LYS 72 HN LYS 72 -1.985 2.330 7.770 577 HA LYS 72 HA LYS 72 -4.366 1.662 6.348 578 HB2 LYS 72 2HB LYS 72 -4.209 -0.497 7.571 579 HB3 LYS 72 1HB LYS 72 -2.731 -0.048 6.732 580 HG2 LYS 72 2HG LYS 72 -1.778 0.736 8.852 581 HG3 LYS 72 1HG LYS 72 -3.254 0.234 9.685 582 HD2 LYS 72 2HD LYS 72 -2.867 -2.060 9.137 583 HD3 LYS 72 1HD LYS 72 -1.533 -1.636 8.061 584 HE2 LYS 72 2HE LYS 72 -0.275 -0.782 9.996 585 HE3 LYS 72 1HE LYS 72 -1.599 -1.270 11.056 586 HZ1 LYS 72 3HZ LYS 72 0.328 -2.853 10.882 587 HZ2 LYS 72 1HZ LYS 72 -0.175 -3.186 9.298 588 HZ3 LYS 72 2HZ LYS 72 -1.200 -3.531 10.609 589 H LYS 73 HN LYS 73 -4.245 3.687 8.780 590 HA LYS 73 HA LYS 73 -6.400 2.684 10.422 591 HB2 LYS 73 2HB LYS 73 -6.205 4.815 11.557 592 HB3 LYS 73 1HB LYS 73 -4.611 4.119 11.325 593 HG2 LYS 73 2HG LYS 73 -4.462 5.581 9.243 594 HG3 LYS 73 1HG LYS 73 -5.867 6.429 9.888 595 HD2 LYS 73 2HD LYS 73 -4.649 6.983 11.903 596 HD3 LYS 73 1HD LYS 73 -3.257 6.049 11.349 597 HE2 LYS 73 2HE LYS 73 -3.510 7.664 9.251 598 HE3 LYS 73 1HE LYS 73 -4.245 8.707 10.468 599 HZ1 LYS 73 3HZ LYS 73 -1.867 9.102 10.252 600 HZ2 LYS 73 1HZ LYS 73 -1.543 7.487 10.649 601 HZ3 LYS 73 2HZ LYS 73 -2.241 8.513 11.800 602 H LEU 74 HN LEU 74 -6.558 3.273 7.448 603 HA LEU 74 HA LEU 74 -8.287 5.411 6.966 604 HB2 LEU 74 2HB LEU 74 -7.817 2.866 5.423 605 HB3 LEU 74 1HB LEU 74 -8.761 4.213 4.835 606 HG LEU 74 HG LEU 74 -5.818 4.302 5.492 607 HD11 LEU 74 1HD1 LEU 74 -6.271 3.009 3.489 608 HD12 LEU 74 2HD1 LEU 74 -5.526 4.553 3.074 609 HD13 LEU 74 3HD1 LEU 74 -7.260 4.320 2.847 610 HD21 LEU 74 3HD2 LEU 74 -5.871 6.536 4.513 611 HD22 LEU 74 1HD2 LEU 74 -6.948 6.439 5.909 612 HD23 LEU 74 2HD2 LEU 74 -7.615 6.402 4.276 613 H ASN 75 HN ASN 75 -9.777 5.234 8.630 614 HA ASN 75 HA ASN 75 -11.736 3.140 8.643 615 HB2 ASN 75 2HB ASN 75 -12.857 4.570 10.346 616 HB3 ASN 75 1HB ASN 75 -11.176 4.226 10.743 617 HD21 ASN 75 1HD2 ASN 75 -9.654 5.880 10.644 618 HD22 ASN 75 2HD2 ASN 75 -10.112 7.549 10.586 619 H ILE 76 HN ILE 76 -14.108 4.177 8.775 620 HA ILE 76 HA ILE 76 -14.533 5.233 6.097 621 HB ILE 76 HB ILE 76 -16.628 4.436 8.112 622 HG12 ILE 76 2HG1 ILE 76 -15.221 2.507 7.619 623 HG13 ILE 76 1HG1 ILE 76 -16.787 2.313 6.841 624 HG21 ILE 76 1HG2 ILE 76 -18.098 4.275 6.154 625 HG22 ILE 76 2HG2 ILE 76 -16.781 4.847 5.130 626 HG23 ILE 76 3HG2 ILE 76 -17.459 5.906 6.369 627 HD11 ILE 76 3HD1 ILE 76 -14.986 1.599 5.385 628 HD12 ILE 76 1HD1 ILE 76 -14.239 3.193 5.500 629 HD13 ILE 76 2HD1 ILE 76 -15.806 3.007 4.712 630 H ASP 77 HN ASP 77 -14.775 7.303 5.741 631 HA ASP 77 HA ASP 77 -15.526 9.057 7.980 632 HB2 ASP 77 2HB ASP 77 -13.248 9.461 7.147 633 HB3 ASP 77 1HB ASP 77 -13.877 9.714 5.524 634 H THR 78 HN THR 78 -17.746 8.712 7.549 635 HA THR 78 HA THR 78 -18.913 10.737 6.032 636 HB THR 78 HB THR 78 -18.272 9.344 4.081 637 HG1 THR 78 1HG THR 78 -20.379 9.338 3.139 638 HG21 THR 78 3HG2 THR 78 -18.380 7.136 5.102 639 HG22 THR 78 1HG2 THR 78 -19.422 7.207 3.682 640 HG23 THR 78 2HG2 THR 78 -20.127 7.292 5.299 641 H VAL 79 HN VAL 79 -21.103 10.909 6.395 642 HA VAL 79 HA VAL 79 -22.325 8.842 8.097 643 HB VAL 79 HB VAL 79 -23.030 11.789 8.088 644 HG11 VAL 79 1HG1 VAL 79 -23.899 9.529 9.889 645 HG12 VAL 79 2HG1 VAL 79 -24.894 10.348 8.685 646 HG13 VAL 79 3HG1 VAL 79 -24.323 11.228 10.105 647 HG21 VAL 79 3HG2 VAL 79 -21.468 10.237 10.152 648 HG22 VAL 79 1HG2 VAL 79 -21.953 11.928 10.268 649 HG23 VAL 79 2HG2 VAL 79 -20.796 11.426 9.037 650 HA PRO 80 HA PRO 80 -24.222 8.612 3.957 651 HB2 PRO 80 2HB PRO 80 -25.659 6.325 4.657 652 HB3 PRO 80 1HB PRO 80 -24.070 6.353 3.892 653 HG2 PRO 80 2HG PRO 80 -24.784 5.993 6.767 654 HG3 PRO 80 1HG PRO 80 -23.492 5.227 5.825 655 HD2 PRO 80 2HD PRO 80 -22.966 7.209 7.542 656 HD3 PRO 80 1HD PRO 80 -22.099 7.078 5.997 657 H ILE 81 HN ILE 81 -25.669 10.254 3.875 658 HA ILE 81 HA ILE 81 -27.910 10.553 5.569 659 HB ILE 81 HB ILE 81 -27.648 11.589 2.741 660 HG12 ILE 81 2HG1 ILE 81 -27.059 13.765 4.061 661 HG13 ILE 81 1HG1 ILE 81 -26.609 12.656 5.349 662 HG21 ILE 81 1HG2 ILE 81 -29.340 12.526 5.042 663 HG22 ILE 81 2HG2 ILE 81 -29.908 11.685 3.598 664 HG23 ILE 81 3HG2 ILE 81 -29.227 13.307 3.464 665 HD11 ILE 81 3HD1 ILE 81 -24.991 11.590 3.858 666 HD12 ILE 81 1HD1 ILE 81 -24.674 13.315 4.051 667 HD13 ILE 81 2HD1 ILE 81 -25.435 12.717 2.577 668 H GLU 82 HN GLU 82 -29.782 9.536 5.565 669 HA GLU 82 HA GLU 82 -30.171 7.255 3.930 670 HB2 GLU 82 2HB GLU 82 -32.105 8.648 5.791 671 HB3 GLU 82 1HB GLU 82 -32.328 7.038 5.109 672 HG2 GLU 82 2HG GLU 82 -30.319 6.268 6.245 673 HG3 GLU 82 1HG GLU 82 -30.069 7.879 6.911 674 H SER 83 HN SER 83 -30.541 7.454 1.847 675 HA SER 83 HA SER 83 -31.958 9.759 0.805 676 HB2 SER 83 2HB SER 83 -30.719 7.439 -0.689 677 HB3 SER 83 1HB SER 83 -31.175 9.009 -1.358 678 HG SER 83 HG SER 83 -29.473 9.116 0.814 679 H GLY 84 HN GLY 84 -33.465 9.259 -1.137 680 HA2 GLY 84 2HA GLY 84 -35.706 7.876 -0.021 681 HA3 GLY 84 1HA GLY 84 -35.640 8.661 -1.591 682 H TYR 85 HN TYR 85 -36.140 5.806 -0.136 683 HA TYR 85 HA TYR 85 -34.787 3.973 -1.798 684 HB2 TYR 85 2HB TYR 85 -35.722 3.195 0.262 685 HB3 TYR 85 1HB TYR 85 -37.327 3.766 -0.171 686 HD1 TYR 85 1HD TYR 85 -34.744 1.492 -1.667 687 HD2 TYR 85 2HD TYR 85 -38.831 2.110 -0.660 688 HE1 TYR 85 1HE TYR 85 -35.293 -0.736 -2.554 689 HE2 TYR 85 2HE TYR 85 -39.398 -0.110 -1.552 690 HH TYR 85 HH TYR 85 -37.014 -2.437 -2.363 691 H THR 86 HN THR 86 -35.297 3.067 -3.718 692 HA THR 86 HA THR 86 -36.853 4.464 -5.576 693 HB THR 86 HB THR 86 -36.556 2.437 -7.008 694 HG1 THR 86 1HG THR 86 -36.482 1.136 -4.835 695 HG21 THR 86 3HG2 THR 86 -34.815 4.145 -6.951 696 HG22 THR 86 1HG2 THR 86 -34.095 2.541 -7.091 697 HG23 THR 86 2HG2 THR 86 -34.091 3.378 -5.539 698 H LEU 87 HN LEU 87 -38.930 4.231 -6.293 699 HA LEU 87 HA LEU 87 -40.854 3.080 -4.603 700 HB2 LEU 87 2HB LEU 87 -41.100 3.852 -7.511 701 HB3 LEU 87 1HB LEU 87 -42.448 3.495 -6.450 702 HG LEU 87 HG LEU 87 -40.527 5.810 -6.162 703 HD11 LEU 87 1HD1 LEU 87 -42.110 6.066 -8.006 704 HD12 LEU 87 2HD1 LEU 87 -42.478 7.180 -6.690 705 HD13 LEU 87 3HD1 LEU 87 -43.450 5.724 -6.912 706 HD21 LEU 87 3HD2 LEU 87 -41.963 6.534 -4.328 707 HD22 LEU 87 1HD2 LEU 87 -41.260 4.953 -3.985 708 HD23 LEU 87 2HD2 LEU 87 -42.941 5.078 -4.503 709 H GLU 88 HN GLU 88 -41.834 1.161 -4.529 710 HA GLU 88 HA GLU 88 -40.583 -1.065 -5.755 711 HB2 GLU 88 2HB GLU 88 -42.474 -2.341 -4.655 712 HB3 GLU 88 1HB GLU 88 -41.459 -1.388 -3.581 713 HG2 GLU 88 2HG GLU 88 -43.194 0.413 -3.681 714 HG3 GLU 88 1HG GLU 88 -44.223 -0.717 -4.561 715 H HIS 89 HN HIS 89 -41.242 -2.395 -7.368 716 HA HIS 89 HA HIS 89 -43.153 -1.241 -9.237 717 HB2 HIS 89 2HB HIS 89 -40.894 -2.071 -9.975 718 HB3 HIS 89 1HB HIS 89 -41.433 -3.702 -9.593 719 HD1 HIS 89 1HD HIS 89 -41.825 -4.829 -11.776 720 HD2 HIS 89 2HD HIS 89 -43.284 -0.929 -11.743 721 HE1 HIS 89 1HE HIS 89 -42.960 -4.503 -14.000 722 HE2 HIS 89 2HE HIS 89 -43.619 -2.071 -14.042 723 H HIS 90 HN HIS 90 -42.796 -3.940 -7.072 724 HA HIS 90 HA HIS 90 -45.537 -4.790 -7.763 725 HB2 HIS 90 2HB HIS 90 -43.156 -6.314 -6.799 726 HB3 HIS 90 1HB HIS 90 -44.747 -6.841 -6.265 727 HD1 HIS 90 1HD HIS 90 -42.379 -7.293 -8.937 728 HD2 HIS 90 2HD HIS 90 -46.525 -7.364 -8.590 729 HE1 HIS 90 1HE HIS 90 -43.212 -8.557 -10.946 730 HE2 HIS 90 2HE HIS 90 -45.682 -8.842 -10.535 731 H HIS 91 HN HIS 91 -46.885 -3.748 -6.458 732 HA HIS 91 HA HIS 91 -46.075 -2.800 -3.884 733 HB2 HIS 91 2HB HIS 91 -47.750 -1.651 -5.377 734 HB3 HIS 91 1HB HIS 91 -48.892 -2.929 -4.972 735 HD1 HIS 91 1HD HIS 91 -46.572 -1.277 -2.487 736 HD2 HIS 91 2HD HIS 91 -50.621 -1.435 -3.450 737 HE1 HIS 91 1HE HIS 91 -47.765 -0.059 -0.631 738 HE2 HIS 91 2HE HIS 91 -50.218 -0.318 -1.145 739 H HIS 92 HN HIS 92 -47.819 -5.562 -5.084 740 HA HIS 92 HA HIS 92 -47.198 -7.123 -2.843 741 HB2 HIS 92 2HB HIS 92 -49.524 -5.555 -2.443 742 HB3 HIS 92 1HB HIS 92 -50.078 -7.199 -2.751 743 HD1 HIS 92 1HD HIS 92 -47.846 -5.254 -0.393 744 HD2 HIS 92 2HD HIS 92 -49.729 -8.954 -0.667 745 HE1 HIS 92 1HE HIS 92 -47.526 -6.342 1.845 746 HE2 HIS 92 2HE HIS 92 -48.806 -8.509 1.716 747 H HIS 93 HN HIS 93 -47.828 -9.316 -3.140 748 HA HIS 93 HA HIS 93 -48.173 -11.188 -4.354 749 HB2 HIS 93 2HB HIS 93 -50.454 -10.361 -4.757 750 HB3 HIS 93 1HB HIS 93 -49.884 -9.443 -6.142 751 HD1 HIS 93 1HD HIS 93 -50.906 -12.857 -5.086 752 HD2 HIS 93 2HD HIS 93 -49.261 -11.010 -8.432 753 HE1 HIS 93 1HE HIS 93 -51.085 -14.539 -6.947 754 HE2 HIS 93 2HE HIS 93 -50.083 -13.410 -8.964 755 H HIS 94 HN HIS 94 -46.872 -12.222 -5.718 756 HA HIS 94 HA HIS 94 -45.797 -10.725 -8.001 757 HB2 HIS 94 2HB HIS 94 -43.633 -11.980 -7.726 758 HB3 HIS 94 1HB HIS 94 -43.955 -10.787 -6.478 759 HD1 HIS 94 1HD HIS 94 -43.391 -11.577 -4.220 760 HD2 HIS 94 2HD HIS 94 -44.480 -14.729 -6.707 761 HE1 HIS 94 1HE HIS 94 -43.139 -13.658 -2.831 762 HE2 HIS 94 2HE HIS 94 -43.699 -15.564 -4.386 Start of MODEL 17 1 H1 MET 1 H1 MET 1 19.744 5.799 9.878 2 H2 MET 1 H2 MET 1 18.189 6.464 10.031 3 H3 MET 1 H3 MET 1 19.492 7.448 9.579 4 HA MET 1 HA MET 1 19.736 6.264 7.512 5 HB2 MET 1 2HB MET 1 17.289 4.759 8.467 6 HB3 MET 1 1HB MET 1 17.996 4.632 6.863 7 HG2 MET 1 2HG MET 1 20.013 3.671 7.790 8 HG3 MET 1 1HG MET 1 19.391 3.884 9.427 9 HE1 MET 1 2HE MET 1 20.508 1.096 8.303 10 HE2 MET 1 3HE MET 1 19.303 -0.006 8.971 11 HE3 MET 1 1HE MET 1 19.906 1.336 9.946 12 H VAL 2 HN VAL 2 19.204 7.912 6.203 13 HA VAL 2 HA VAL 2 16.839 9.456 6.857 14 HB VAL 2 HB VAL 2 18.946 10.018 4.769 15 HG11 VAL 2 1HG1 VAL 2 16.827 11.137 4.298 16 HG12 VAL 2 2HG1 VAL 2 18.056 12.298 4.798 17 HG13 VAL 2 3HG1 VAL 2 16.802 11.797 5.934 18 HG21 VAL 2 3HG2 VAL 2 18.636 11.104 7.570 19 HG22 VAL 2 1HG2 VAL 2 19.839 11.626 6.390 20 HG23 VAL 2 2HG2 VAL 2 19.883 9.981 7.026 21 H LYS 3 HN LYS 3 15.091 8.387 6.174 22 HA LYS 3 HA LYS 3 14.662 8.423 3.275 23 HB2 LYS 3 2HB LYS 3 13.988 6.139 5.137 24 HB3 LYS 3 1HB LYS 3 13.165 6.367 3.604 25 HG2 LYS 3 2HG LYS 3 15.319 6.159 2.438 26 HG3 LYS 3 1HG LYS 3 16.110 5.870 3.991 27 HD2 LYS 3 2HD LYS 3 14.805 3.871 4.332 28 HD3 LYS 3 1HD LYS 3 13.868 4.191 2.872 29 HE2 LYS 3 2HE LYS 3 15.536 2.485 2.451 30 HE3 LYS 3 1HE LYS 3 15.904 3.941 1.527 31 HZ1 LYS 3 3HZ LYS 3 17.524 4.543 3.254 32 HZ2 LYS 3 1HZ LYS 3 17.900 3.063 2.517 33 HZ3 LYS 3 2HZ LYS 3 17.203 3.084 4.061 34 H ASP 4 HN ASP 4 12.490 8.895 2.695 35 HA ASP 4 HA ASP 4 11.019 10.519 4.453 36 HB2 ASP 4 2HB ASP 4 9.945 8.976 2.074 37 HB3 ASP 4 1HB ASP 4 9.195 10.376 2.828 38 H LYS 5 HN LYS 5 9.412 10.049 5.920 39 HA LYS 5 HA LYS 5 9.131 7.385 6.838 40 HB2 LYS 5 2HB LYS 5 7.304 8.260 8.250 41 HB3 LYS 5 1HB LYS 5 8.759 9.239 8.351 42 HG2 LYS 5 2HG LYS 5 7.764 10.873 6.828 43 HG3 LYS 5 1HG LYS 5 6.306 9.887 6.731 44 HD2 LYS 5 2HD LYS 5 5.800 11.547 8.307 45 HD3 LYS 5 1HD LYS 5 6.171 10.114 9.262 46 HE2 LYS 5 2HE LYS 5 8.143 12.322 8.682 47 HE3 LYS 5 1HE LYS 5 7.153 12.243 10.135 48 HZ1 LYS 5 3HZ LYS 5 9.168 11.315 10.765 49 HZ2 LYS 5 1HZ LYS 5 9.364 10.463 9.310 50 HZ3 LYS 5 2HZ LYS 5 8.211 9.953 10.445 51 H GLN 6 HN GLN 6 7.524 9.267 4.452 52 HA GLN 6 HA GLN 6 5.221 7.665 4.098 53 HB2 GLN 6 2HB GLN 6 5.431 9.961 3.208 54 HB3 GLN 6 1HB GLN 6 6.677 9.410 2.097 55 HG2 GLN 6 2HG GLN 6 4.505 9.656 1.004 56 HG3 GLN 6 1HG GLN 6 5.088 7.994 0.956 57 HE21 GLN 6 1HE2 GLN 6 3.067 7.123 0.681 58 HE22 GLN 6 2HE2 GLN 6 1.875 7.088 1.937 59 H LYS 7 HN LYS 7 8.523 7.470 2.915 60 HA LYS 7 HA LYS 7 8.164 5.507 0.924 61 HB2 LYS 7 2HB LYS 7 10.546 6.098 2.693 62 HB3 LYS 7 1HB LYS 7 10.583 4.946 1.369 63 HG2 LYS 7 2HG LYS 7 9.977 7.881 1.071 64 HG3 LYS 7 1HG LYS 7 11.556 7.140 0.800 65 HD2 LYS 7 2HD LYS 7 10.415 5.651 -0.897 66 HD3 LYS 7 1HD LYS 7 9.007 6.702 -0.740 67 HE2 LYS 7 2HE LYS 7 11.771 7.543 -1.607 68 HE3 LYS 7 1HE LYS 7 10.374 7.341 -2.660 69 HZ1 LYS 7 3HZ LYS 7 10.780 9.393 -0.553 70 HZ2 LYS 7 1HZ LYS 7 9.272 9.109 -1.287 71 HZ3 LYS 7 2HZ LYS 7 10.586 9.630 -2.222 72 H ALA 8 HN ALA 8 8.874 5.293 4.375 73 HA ALA 8 HA ALA 8 9.097 2.479 4.490 74 HB1 ALA 8 1HB ALA 8 10.033 3.951 6.202 75 HB2 ALA 8 2HB ALA 8 8.953 2.748 6.906 76 HB3 ALA 8 3HB ALA 8 8.405 4.411 6.701 77 H ILE 9 HN ILE 9 6.388 4.687 5.080 78 HA ILE 9 HA ILE 9 4.559 2.731 5.964 79 HB ILE 9 HB ILE 9 4.056 5.400 4.633 80 HG12 ILE 9 2HG1 ILE 9 3.859 4.555 7.534 81 HG13 ILE 9 1HG1 ILE 9 5.210 5.446 6.839 82 HG21 ILE 9 1HG2 ILE 9 2.125 3.978 4.288 83 HG22 ILE 9 2HG2 ILE 9 1.755 5.213 5.493 84 HG23 ILE 9 3HG2 ILE 9 2.100 3.559 6.001 85 HD11 ILE 9 3HD1 ILE 9 3.709 7.296 6.308 86 HD12 ILE 9 1HD1 ILE 9 3.706 6.922 8.030 87 HD13 ILE 9 2HD1 ILE 9 2.361 6.402 7.013 88 H PHE 10 HN PHE 10 5.025 4.177 2.739 89 HA PHE 10 HA PHE 10 3.024 2.755 1.411 90 HB2 PHE 10 2HB PHE 10 4.086 4.671 0.385 91 HB3 PHE 10 1HB PHE 10 5.645 3.857 0.377 92 HD1 PHE 10 2HD PHE 10 2.232 3.750 -1.063 93 HD2 PHE 10 1HD PHE 10 6.285 2.499 -1.424 94 HE1 PHE 10 2HE PHE 10 1.760 2.880 -3.317 95 HE2 PHE 10 1HE PHE 10 5.822 1.633 -3.678 96 HZ PHE 10 HZ PHE 10 3.558 1.820 -4.628 97 H SER 11 HN SER 11 6.480 1.972 1.772 98 HA SER 11 HA SER 11 6.366 -0.343 0.168 99 HB2 SER 11 2HB SER 11 8.564 -0.893 1.283 100 HB3 SER 11 1HB SER 11 8.485 0.688 0.508 101 HG SER 11 HG SER 11 8.443 1.659 2.433 102 H GLU 12 HN GLU 12 6.221 0.070 3.706 103 HA GLU 12 HA GLU 12 6.136 -2.711 4.246 104 HB2 GLU 12 2HB GLU 12 6.683 -0.803 5.879 105 HB3 GLU 12 1HB GLU 12 4.944 -0.601 6.038 106 HG2 GLU 12 2HG GLU 12 4.703 -2.852 6.853 107 HG3 GLU 12 1HG GLU 12 6.414 -3.169 6.582 108 H ASN 13 HN ASN 13 3.658 -0.286 3.662 109 HA ASN 13 HA ASN 13 1.394 -1.827 4.330 110 HB2 ASN 13 2HB ASN 13 1.593 0.700 3.739 111 HB3 ASN 13 1HB ASN 13 1.420 0.166 2.073 112 HD21 ASN 13 1HD2 ASN 13 -0.335 1.866 3.509 113 HD22 ASN 13 2HD2 ASN 13 -1.874 1.082 3.551 114 H LEU 14 HN LEU 14 2.956 -1.227 1.205 115 HA LEU 14 HA LEU 14 1.428 -3.001 -0.336 116 HB2 LEU 14 2HB LEU 14 2.827 -1.285 -1.332 117 HB3 LEU 14 1HB LEU 14 4.269 -2.052 -0.697 118 HG LEU 14 HG LEU 14 3.806 -4.022 -2.150 119 HD11 LEU 14 1HD1 LEU 14 1.407 -3.753 -2.396 120 HD12 LEU 14 2HD1 LEU 14 2.196 -3.775 -3.974 121 HD13 LEU 14 3HD1 LEU 14 1.649 -2.246 -3.281 122 HD21 LEU 14 3HD2 LEU 14 4.064 -1.356 -3.535 123 HD22 LEU 14 1HD2 LEU 14 4.470 -2.921 -4.244 124 HD23 LEU 14 2HD2 LEU 14 5.376 -2.319 -2.855 125 H ASN 15 HN ASN 15 4.501 -3.459 1.367 126 HA ASN 15 HA ASN 15 5.113 -6.044 0.526 127 HB2 ASN 15 2HB ASN 15 6.536 -4.436 1.901 128 HB3 ASN 15 1HB ASN 15 5.628 -4.975 3.307 129 HD21 ASN 15 1HD2 ASN 15 7.961 -5.829 0.901 130 HD22 ASN 15 2HD2 ASN 15 8.536 -7.273 1.664 131 H SER 16 HN SER 16 2.999 -4.938 3.113 132 HA SER 16 HA SER 16 2.452 -7.433 4.272 133 HB2 SER 16 2HB SER 16 0.690 -4.973 4.109 134 HB3 SER 16 1HB SER 16 0.445 -6.332 5.205 135 HG SER 16 HG SER 16 2.620 -4.495 5.159 136 H TYR 17 HN TYR 17 0.923 -5.740 1.551 137 HA TYR 17 HA TYR 17 -1.180 -7.613 1.179 138 HB2 TYR 17 2HB TYR 17 0.092 -5.606 -0.678 139 HB3 TYR 17 1HB TYR 17 -1.235 -6.646 -1.177 140 HD1 TYR 17 2HD TYR 17 -3.331 -6.579 0.442 141 HD2 TYR 17 1HD TYR 17 -0.403 -3.514 0.129 142 HE1 TYR 17 2HE TYR 17 -4.949 -4.954 1.331 143 HE2 TYR 17 1HE TYR 17 -2.011 -1.880 1.015 144 HH TYR 17 HH TYR 17 -4.464 -1.607 1.200 145 H ILE 18 HN ILE 18 2.025 -7.254 -0.258 146 HA ILE 18 HA ILE 18 1.869 -9.211 -2.221 147 HB ILE 18 HB ILE 18 4.302 -8.463 -0.590 148 HG12 ILE 18 2HG1 ILE 18 3.287 -7.307 -3.199 149 HG13 ILE 18 1HG1 ILE 18 3.174 -6.520 -1.626 150 HG21 ILE 18 1HG2 ILE 18 4.065 -9.740 -3.309 151 HG22 ILE 18 2HG2 ILE 18 4.675 -10.496 -1.836 152 HG23 ILE 18 3HG2 ILE 18 5.571 -9.170 -2.584 153 HD11 ILE 18 3HD1 ILE 18 5.009 -5.653 -2.986 154 HD12 ILE 18 1HD1 ILE 18 5.730 -7.258 -3.024 155 HD13 ILE 18 2HD1 ILE 18 5.583 -6.395 -1.492 156 H ALA 19 HN ALA 19 3.034 -9.534 1.132 157 HA ALA 19 HA ALA 19 3.615 -12.311 0.868 158 HB1 ALA 19 1HB ALA 19 3.283 -10.709 3.396 159 HB2 ALA 19 2HB ALA 19 4.772 -10.830 2.460 160 HB3 ALA 19 3HB ALA 19 4.096 -12.267 3.229 161 H LYS 20 HN LYS 20 0.762 -10.532 1.732 162 HA LYS 20 HA LYS 20 -0.449 -12.860 2.996 163 HB2 LYS 20 2HB LYS 20 -0.932 -9.973 3.018 164 HB3 LYS 20 1HB LYS 20 -2.386 -10.960 2.994 165 HG2 LYS 20 2HG LYS 20 -1.696 -12.122 4.978 166 HG3 LYS 20 1HG LYS 20 -0.136 -11.301 4.965 167 HD2 LYS 20 2HD LYS 20 -1.259 -9.163 5.341 168 HD3 LYS 20 1HD LYS 20 -2.824 -9.979 5.332 169 HE2 LYS 20 2HE LYS 20 -2.026 -9.532 7.613 170 HE3 LYS 20 1HE LYS 20 -2.205 -11.257 7.296 171 HZ1 LYS 20 3HZ LYS 20 0.164 -11.446 6.989 172 HZ2 LYS 20 1HZ LYS 20 -0.143 -10.714 8.486 173 HZ3 LYS 20 2HZ LYS 20 0.370 -9.773 7.172 174 H SER 21 HN SER 21 -0.182 -11.724 -0.077 175 HA SER 21 HA SER 21 -2.750 -12.798 -0.918 176 HB2 SER 21 2HB SER 21 -0.518 -11.454 -2.452 177 HB3 SER 21 1HB SER 21 -2.043 -11.978 -3.149 178 HG SER 21 HG SER 21 -1.578 -9.942 -1.244 179 H GLU 22 HN GLU 22 0.228 -13.957 -0.166 180 HA GLU 22 HA GLU 22 1.559 -15.694 -0.751 181 HB2 GLU 22 2HB GLU 22 -1.151 -16.797 -1.478 182 HB3 GLU 22 1HB GLU 22 0.316 -17.758 -1.574 183 HG2 GLU 22 2HG GLU 22 -0.518 -18.331 0.485 184 HG3 GLU 22 1HG GLU 22 0.649 -17.076 0.891 185 H LYS 23 HN LYS 23 1.751 -13.749 -2.563 186 HA LYS 23 HA LYS 23 2.073 -15.232 -5.078 187 HB2 LYS 23 2HB LYS 23 0.113 -13.654 -5.193 188 HB3 LYS 23 1HB LYS 23 1.228 -12.330 -4.885 189 HG2 LYS 23 2HG LYS 23 2.416 -12.830 -6.949 190 HG3 LYS 23 1HG LYS 23 1.327 -14.184 -7.258 191 HD2 LYS 23 2HD LYS 23 0.475 -11.301 -7.006 192 HD3 LYS 23 1HD LYS 23 0.748 -12.141 -8.532 193 HE2 LYS 23 2HE LYS 23 -1.289 -12.912 -6.440 194 HE3 LYS 23 1HE LYS 23 -1.636 -12.053 -7.940 195 HZ1 LYS 23 3HZ LYS 23 -0.644 -14.836 -7.651 196 HZ2 LYS 23 1HZ LYS 23 -0.714 -14.018 -9.135 197 HZ3 LYS 23 2HZ LYS 23 -2.139 -14.331 -8.274 198 H THR 24 HN THR 24 3.939 -14.630 -6.273 199 HA THR 24 HA THR 24 6.049 -13.744 -4.507 200 HB THR 24 HB THR 24 7.569 -14.459 -6.316 201 HG1 THR 24 1HG THR 24 6.495 -15.602 -8.112 202 HG21 THR 24 3HG2 THR 24 7.020 -16.857 -6.244 203 HG22 THR 24 1HG2 THR 24 5.417 -16.463 -5.629 204 HG23 THR 24 2HG2 THR 24 6.846 -16.099 -4.662 205 H GLN 25 HN GLN 25 7.679 -12.221 -5.183 206 HA GLN 25 HA GLN 25 6.736 -9.757 -6.109 207 HB2 GLN 25 2HB GLN 25 9.557 -10.855 -6.110 208 HB3 GLN 25 1HB GLN 25 9.136 -9.166 -6.337 209 HG2 GLN 25 2HG GLN 25 8.200 -9.084 -4.090 210 HG3 GLN 25 1HG GLN 25 8.583 -10.789 -3.862 211 HE21 GLN 25 1HE2 GLN 25 11.122 -10.564 -5.301 212 HE22 GLN 25 2HE2 GLN 25 12.205 -9.752 -4.226 213 H LEU 26 HN LEU 26 8.297 -12.439 -7.716 214 HA LEU 26 HA LEU 26 8.713 -11.336 -10.232 215 HB2 LEU 26 2HB LEU 26 8.441 -14.043 -9.057 216 HB3 LEU 26 1HB LEU 26 8.339 -13.903 -10.790 217 HG LEU 26 HG LEU 26 10.660 -12.843 -9.196 218 HD11 LEU 26 1HD1 LEU 26 10.518 -15.255 -8.884 219 HD12 LEU 26 2HD1 LEU 26 11.884 -14.836 -9.918 220 HD13 LEU 26 3HD1 LEU 26 10.405 -15.486 -10.629 221 HD21 LEU 26 3HD2 LEU 26 10.324 -13.440 -12.133 222 HD22 LEU 26 1HD2 LEU 26 11.788 -12.836 -11.357 223 HD23 LEU 26 2HD2 LEU 26 10.337 -11.838 -11.400 224 H GLU 27 HN GLU 27 5.949 -13.211 -8.970 225 HA GLU 27 HA GLU 27 4.457 -13.257 -11.333 226 HB2 GLU 27 2HB GLU 27 3.814 -13.570 -8.430 227 HB3 GLU 27 1HB GLU 27 2.525 -13.537 -9.610 228 HG2 GLU 27 2HG GLU 27 4.830 -15.463 -9.585 229 HG3 GLU 27 1HG GLU 27 3.189 -15.813 -9.043 230 H ILE 28 HN ILE 28 4.645 -10.854 -8.763 231 HA ILE 28 HA ILE 28 2.407 -9.344 -9.720 232 HB ILE 28 HB ILE 28 4.632 -8.481 -7.864 233 HG12 ILE 28 2HG1 ILE 28 1.850 -9.514 -7.272 234 HG13 ILE 28 1HG1 ILE 28 3.339 -10.419 -7.043 235 HG21 ILE 28 1HG2 ILE 28 1.919 -7.256 -8.373 236 HG22 ILE 28 2HG2 ILE 28 3.471 -6.586 -8.885 237 HG23 ILE 28 3HG2 ILE 28 3.091 -6.720 -7.167 238 HD11 ILE 28 3HD1 ILE 28 2.491 -9.537 -4.945 239 HD12 ILE 28 1HD1 ILE 28 2.584 -7.899 -5.589 240 HD13 ILE 28 2HD1 ILE 28 4.060 -8.834 -5.346 241 H ALA 29 HN ALA 29 5.937 -8.949 -9.931 242 HA ALA 29 HA ALA 29 5.939 -6.605 -11.486 243 HB1 ALA 29 1HB ALA 29 7.984 -8.823 -11.384 244 HB2 ALA 29 2HB ALA 29 7.928 -7.405 -10.336 245 HB3 ALA 29 3HB ALA 29 8.249 -7.215 -12.060 246 H LYS 30 HN LYS 30 5.566 -9.954 -12.297 247 HA LYS 30 HA LYS 30 5.986 -9.981 -15.036 248 HB2 LYS 30 2HB LYS 30 5.655 -11.985 -13.710 249 HB3 LYS 30 1HB LYS 30 4.007 -11.508 -13.341 250 HG2 LYS 30 2HG LYS 30 3.426 -11.753 -15.713 251 HG3 LYS 30 1HG LYS 30 5.078 -12.282 -16.044 252 HD2 LYS 30 2HD LYS 30 4.783 -14.169 -14.512 253 HD3 LYS 30 1HD LYS 30 3.134 -13.640 -14.173 254 HE2 LYS 30 2HE LYS 30 2.537 -13.982 -16.515 255 HE3 LYS 30 1HE LYS 30 4.189 -14.486 -16.870 256 HZ1 LYS 30 3HZ LYS 30 2.764 -16.398 -16.588 257 HZ2 LYS 30 1HZ LYS 30 2.286 -15.868 -15.050 258 HZ3 LYS 30 2HZ LYS 30 3.891 -16.341 -15.319 259 H SER 31 HN SER 31 3.069 -9.084 -13.223 260 HA SER 31 HA SER 31 1.484 -8.729 -15.594 261 HB2 SER 31 2HB SER 31 0.452 -9.398 -13.459 262 HB3 SER 31 1HB SER 31 0.939 -7.864 -12.739 263 HG SER 31 HG SER 31 -0.767 -6.990 -13.585 264 H ILE 32 HN ILE 32 3.426 -6.699 -13.520 265 HA ILE 32 HA ILE 32 2.367 -4.215 -14.472 266 HB ILE 32 HB ILE 32 4.988 -4.736 -13.055 267 HG12 ILE 32 2HG1 ILE 32 2.306 -3.938 -11.901 268 HG13 ILE 32 1HG1 ILE 32 3.004 -5.551 -11.803 269 HG21 ILE 32 1HG2 ILE 32 4.940 -2.569 -14.144 270 HG22 ILE 32 2HG2 ILE 32 4.827 -2.375 -12.394 271 HG23 ILE 32 3HG2 ILE 32 3.385 -2.204 -13.395 272 HD11 ILE 32 3HD1 ILE 32 4.859 -4.687 -10.502 273 HD12 ILE 32 1HD1 ILE 32 3.314 -4.312 -9.739 274 HD13 ILE 32 2HD1 ILE 32 4.192 -3.059 -10.616 275 H GLY 33 HN GLY 33 5.267 -6.131 -15.163 276 HA2 GLY 33 2HA GLY 33 6.221 -6.193 -17.369 277 HA3 GLY 33 1HA GLY 33 5.615 -4.564 -17.636 278 H VAL 34 HN VAL 34 7.350 -5.796 -14.828 279 HA VAL 34 HA VAL 34 9.660 -4.146 -15.565 280 HB VAL 34 HB VAL 34 9.899 -3.475 -13.175 281 HG11 VAL 34 1HG1 VAL 34 7.365 -2.581 -14.539 282 HG12 VAL 34 2HG1 VAL 34 8.978 -1.914 -14.787 283 HG13 VAL 34 3HG1 VAL 34 8.178 -1.726 -13.228 284 HG21 VAL 34 3HG2 VAL 34 7.094 -4.554 -12.923 285 HG22 VAL 34 1HG2 VAL 34 7.955 -3.627 -11.697 286 HG23 VAL 34 2HG2 VAL 34 8.535 -5.226 -12.160 287 H SER 35 HN SER 35 11.639 -4.749 -14.423 288 HA SER 35 HA SER 35 11.906 -7.598 -14.191 289 HB2 SER 35 2HB SER 35 13.928 -5.424 -13.605 290 HB3 SER 35 1HB SER 35 14.277 -7.124 -13.895 291 HG SER 35 HG SER 35 13.014 -6.563 -15.993 292 HA PRO 36 HA PRO 36 11.110 -8.180 -9.917 293 HB2 PRO 36 2HB PRO 36 13.040 -10.068 -9.325 294 HB3 PRO 36 1HB PRO 36 11.485 -10.410 -10.087 295 HG2 PRO 36 2HG PRO 36 14.168 -10.038 -11.351 296 HG3 PRO 36 1HG PRO 36 12.906 -11.225 -11.729 297 HD2 PRO 36 2HD PRO 36 13.264 -9.058 -13.255 298 HD3 PRO 36 1HD PRO 36 11.633 -9.679 -12.909 299 H GLN 37 HN GLN 37 14.509 -7.606 -10.814 300 HA GLN 37 HA GLN 37 15.380 -6.960 -8.195 301 HB2 GLN 37 2HB GLN 37 16.465 -6.251 -10.913 302 HB3 GLN 37 1HB GLN 37 17.240 -5.733 -9.425 303 HG2 GLN 37 2HG GLN 37 17.512 -8.063 -8.754 304 HG3 GLN 37 1HG GLN 37 16.731 -8.580 -10.246 305 HE21 GLN 37 1HE2 GLN 37 18.466 -9.717 -10.947 306 HE22 GLN 37 2HE2 GLN 37 19.940 -8.986 -11.488 307 H THR 38 HN THR 38 13.778 -5.118 -10.688 308 HA THR 38 HA THR 38 14.251 -2.558 -9.446 309 HB THR 38 HB THR 38 12.211 -3.240 -11.575 310 HG1 THR 38 1HG THR 38 14.998 -2.925 -11.656 311 HG21 THR 38 3HG2 THR 38 12.495 -0.881 -12.206 312 HG22 THR 38 1HG2 THR 38 13.629 -0.665 -10.870 313 HG23 THR 38 2HG2 THR 38 11.937 -1.034 -10.540 314 H PHE 39 HN PHE 39 11.819 -5.036 -9.449 315 HA PHE 39 HA PHE 39 9.833 -3.603 -8.001 316 HB2 PHE 39 2HB PHE 39 9.427 -5.668 -9.356 317 HB3 PHE 39 1HB PHE 39 10.299 -6.591 -8.139 318 HD1 PHE 39 1HD PHE 39 7.207 -4.769 -8.881 319 HD2 PHE 39 2HD PHE 39 9.316 -7.076 -5.992 320 HE1 PHE 39 1HE PHE 39 5.130 -5.053 -7.592 321 HE2 PHE 39 2HE PHE 39 7.243 -7.365 -4.703 322 HZ PHE 39 HZ PHE 39 5.145 -6.356 -5.496 323 H ASN 40 HN ASN 40 12.616 -5.555 -7.166 324 HA ASN 40 HA ASN 40 12.045 -5.989 -4.448 325 HB2 ASN 40 2HB ASN 40 13.799 -7.160 -5.862 326 HB3 ASN 40 1HB ASN 40 14.814 -5.739 -5.632 327 HD21 ASN 40 1HD2 ASN 40 15.753 -5.366 -3.624 328 HD22 ASN 40 2HD2 ASN 40 15.750 -6.561 -2.370 329 H THR 41 HN THR 41 13.679 -3.329 -6.111 330 HA THR 41 HA THR 41 14.617 -1.987 -3.828 331 HB THR 41 HB THR 41 14.057 0.032 -5.629 332 HG1 THR 41 1HG THR 41 13.345 -1.253 -7.270 333 HG21 THR 41 3HG2 THR 41 16.201 -0.401 -4.509 334 HG22 THR 41 1HG2 THR 41 16.415 -0.151 -6.242 335 HG23 THR 41 2HG2 THR 41 16.474 -1.782 -5.573 336 H TRP 42 HN TRP 42 11.463 -2.011 -5.390 337 HA TRP 42 HA TRP 42 10.373 0.116 -3.806 338 HB2 TRP 42 2HB TRP 42 8.921 -2.097 -5.281 339 HB3 TRP 42 1HB TRP 42 8.208 -0.604 -4.687 340 HD1 TRP 42 1HD TRP 42 10.700 1.243 -5.845 341 HE1 TRP 42 1HE TRP 42 10.681 1.769 -8.369 342 HE3 TRP 42 3HE TRP 42 7.643 -2.531 -7.438 343 HZ2 TRP 42 2HZ TRP 42 9.511 0.731 -10.708 344 HZ3 TRP 42 3HZ TRP 42 7.122 -2.689 -9.837 345 HH2 TRP 42 2HH TRP 42 8.041 -1.094 -11.435 346 H CYS 43 HN CYS 43 10.360 -3.393 -3.713 347 HA CYS 43 HA CYS 43 8.604 -3.708 -1.517 348 HB2 CYS 43 2HB CYS 43 9.178 -5.425 -3.269 349 HB3 CYS 43 1HB CYS 43 10.737 -5.625 -2.480 350 HG CYS 43 HG CYS 43 9.576 -7.763 -1.480 351 H LYS 44 HN LYS 44 12.058 -3.177 -1.750 352 HA LYS 44 HA LYS 44 12.556 -3.818 0.981 353 HB2 LYS 44 2HB LYS 44 14.070 -3.993 -1.158 354 HB3 LYS 44 1HB LYS 44 14.434 -2.309 -0.783 355 HG2 LYS 44 2HG LYS 44 15.091 -2.956 1.432 356 HG3 LYS 44 1HG LYS 44 14.766 -4.641 1.048 357 HD2 LYS 44 2HD LYS 44 16.448 -4.451 -0.798 358 HD3 LYS 44 1HD LYS 44 16.864 -2.855 -0.165 359 HE2 LYS 44 2HE LYS 44 18.401 -4.557 0.659 360 HE3 LYS 44 1HE LYS 44 17.466 -3.850 1.976 361 HZ1 LYS 44 3HZ LYS 44 17.551 -6.214 2.249 362 HZ2 LYS 44 1HZ LYS 44 16.984 -6.478 0.674 363 HZ3 LYS 44 2HZ LYS 44 15.966 -5.790 1.839 364 H GLY 45 HN GLY 45 11.094 -1.256 -0.493 365 HA2 GLY 45 2HA GLY 45 10.455 0.790 0.343 366 HA3 GLY 45 1HA GLY 45 11.270 0.371 1.840 367 H ILE 46 HN ILE 46 12.877 0.451 -1.274 368 HA ILE 46 HA ILE 46 14.695 2.459 -0.209 369 HB ILE 46 HB ILE 46 14.826 0.899 -2.795 370 HG12 ILE 46 2HG1 ILE 46 16.301 0.526 -0.176 371 HG13 ILE 46 1HG1 ILE 46 15.036 -0.526 -0.804 372 HG21 ILE 46 1HG2 ILE 46 16.870 2.683 -1.475 373 HG22 ILE 46 2HG2 ILE 46 16.025 2.992 -2.993 374 HG23 ILE 46 3HG2 ILE 46 17.169 1.656 -2.876 375 HD11 ILE 46 3HD1 ILE 46 17.716 -0.054 -2.092 376 HD12 ILE 46 1HD1 ILE 46 16.454 -1.139 -2.675 377 HD13 ILE 46 2HD1 ILE 46 17.256 -1.469 -1.139 378 H ALA 47 HN ALA 47 12.326 2.074 -2.782 379 HA ALA 47 HA ALA 47 12.195 4.944 -3.120 380 HB1 ALA 47 1HB ALA 47 14.031 4.355 -4.629 381 HB2 ALA 47 2HB ALA 47 12.616 4.905 -5.527 382 HB3 ALA 47 3HB ALA 47 12.990 3.185 -5.439 383 H ILE 48 HN ILE 48 10.433 5.583 -4.560 384 HA ILE 48 HA ILE 48 8.316 3.540 -4.723 385 HB ILE 48 HB ILE 48 8.108 6.544 -4.430 386 HG12 ILE 48 2HG1 ILE 48 7.153 4.294 -2.648 387 HG13 ILE 48 1HG1 ILE 48 8.597 5.256 -2.371 388 HG21 ILE 48 1HG2 ILE 48 5.894 4.531 -4.820 389 HG22 ILE 48 2HG2 ILE 48 6.382 5.788 -5.961 390 HG23 ILE 48 3HG2 ILE 48 5.670 6.232 -4.408 391 HD11 ILE 48 3HD1 ILE 48 6.788 6.024 -0.970 392 HD12 ILE 48 1HD1 ILE 48 5.759 6.259 -2.383 393 HD13 ILE 48 2HD1 ILE 48 7.192 7.263 -2.160 394 HA PRO 49 HA PRO 49 8.700 3.968 -9.132 395 HB2 PRO 49 2HB PRO 49 6.408 2.722 -9.842 396 HB3 PRO 49 1HB PRO 49 7.809 1.843 -9.228 397 HG2 PRO 49 2HG PRO 49 5.356 2.736 -7.748 398 HG3 PRO 49 1HG PRO 49 6.154 1.152 -7.723 399 HD2 PRO 49 2HD PRO 49 6.561 2.970 -5.777 400 HD3 PRO 49 1HD PRO 49 7.858 1.892 -6.336 401 H ARG 50 HN ARG 50 7.274 4.743 -10.986 402 HA ARG 50 HA ARG 50 6.257 7.321 -10.346 403 HB2 ARG 50 2HB ARG 50 7.408 6.562 -12.504 404 HB3 ARG 50 1HB ARG 50 5.859 5.867 -12.957 405 HG2 ARG 50 2HG ARG 50 4.816 8.048 -12.879 406 HG3 ARG 50 1HG ARG 50 6.325 8.775 -12.322 407 HD2 ARG 50 2HD ARG 50 7.405 8.051 -14.422 408 HD3 ARG 50 1HD ARG 50 5.856 7.419 -14.974 409 HE ARG 50 HE ARG 50 5.306 10.011 -14.387 410 HH11 ARG 50 1HH1 ARG 50 7.713 8.443 -16.379 411 HH12 ARG 50 2HH1 ARG 50 7.847 9.765 -17.497 412 HH21 ARG 50 1HH2 ARG 50 5.444 11.741 -15.849 413 HH22 ARG 50 2HH2 ARG 50 6.518 11.653 -17.209 414 H MET 51 HN MET 51 4.065 8.078 -10.991 415 HA MET 51 HA MET 51 2.176 6.896 -9.374 416 HB2 MET 51 2HB MET 51 2.073 9.228 -10.129 417 HB3 MET 51 1HB MET 51 1.665 8.693 -11.752 418 HG2 MET 51 2HG MET 51 -0.321 9.439 -10.631 419 HG3 MET 51 1HG MET 51 -0.410 7.695 -10.874 420 HE1 MET 51 3HE MET 51 0.515 9.709 -6.819 421 HE2 MET 51 1HE MET 51 0.103 10.605 -8.283 422 HE3 MET 51 2HE MET 51 1.633 9.735 -8.180 423 H GLY 52 HN GLY 52 2.435 6.582 -12.912 424 HA2 GLY 52 2HA GLY 52 0.116 5.044 -13.291 425 HA3 GLY 52 1HA GLY 52 1.514 5.052 -14.355 426 H LYS 53 HN LYS 53 3.416 4.062 -12.529 427 HA LYS 53 HA LYS 53 2.873 1.266 -12.713 428 HB2 LYS 53 2HB LYS 53 5.163 2.824 -11.509 429 HB3 LYS 53 1HB LYS 53 5.114 1.065 -11.566 430 HG2 LYS 53 2HG LYS 53 5.076 1.084 -13.963 431 HG3 LYS 53 1HG LYS 53 4.916 2.838 -13.989 432 HD2 LYS 53 2HD LYS 53 7.130 3.090 -13.051 433 HD3 LYS 53 1HD LYS 53 7.287 1.339 -12.883 434 HE2 LYS 53 2HE LYS 53 7.225 1.050 -15.268 435 HE3 LYS 53 1HE LYS 53 6.866 2.758 -15.509 436 HZ1 LYS 53 3HZ LYS 53 9.239 2.006 -15.878 437 HZ2 LYS 53 1HZ LYS 53 9.360 1.851 -14.195 438 HZ3 LYS 53 2HZ LYS 53 9.024 3.366 -14.889 439 H VAL 54 HN VAL 54 2.741 3.643 -10.147 440 HA VAL 54 HA VAL 54 2.350 1.857 -7.986 441 HB VAL 54 HB VAL 54 1.282 4.672 -8.336 442 HG11 VAL 54 1HG1 VAL 54 1.094 4.691 -5.889 443 HG12 VAL 54 2HG1 VAL 54 1.568 2.993 -5.843 444 HG13 VAL 54 3HG1 VAL 54 0.055 3.466 -6.615 445 HG21 VAL 54 3HG2 VAL 54 3.784 3.655 -6.985 446 HG22 VAL 54 1HG2 VAL 54 3.206 5.323 -6.945 447 HG23 VAL 54 2HG2 VAL 54 3.704 4.598 -8.476 448 H GLN 55 HN GLN 55 0.146 3.412 -10.273 449 HA GLN 55 HA GLN 55 -2.248 2.367 -9.230 450 HB2 GLN 55 2HB GLN 55 -1.442 3.391 -11.936 451 HB3 GLN 55 1HB GLN 55 -3.034 2.685 -11.685 452 HG2 GLN 55 2HG GLN 55 -1.920 5.018 -10.140 453 HG3 GLN 55 1HG GLN 55 -3.021 5.144 -11.510 454 HE21 GLN 55 1HE2 GLN 55 -4.561 2.788 -10.744 455 HE22 GLN 55 2HE2 GLN 55 -5.513 3.249 -9.371 456 H ALA 56 HN ALA 56 0.117 1.036 -11.472 457 HA ALA 56 HA ALA 56 -1.360 -1.224 -12.285 458 HB1 ALA 56 1HB ALA 56 0.792 -2.178 -12.939 459 HB2 ALA 56 2HB ALA 56 1.633 -0.925 -12.025 460 HB3 ALA 56 3HB ALA 56 0.669 -0.491 -13.437 461 H LEU 57 HN LEU 57 0.691 -0.605 -9.489 462 HA LEU 57 HA LEU 57 0.717 -3.215 -8.423 463 HB2 LEU 57 2HB LEU 57 0.949 -0.500 -7.135 464 HB3 LEU 57 1HB LEU 57 1.137 -1.995 -6.243 465 HG LEU 57 HG LEU 57 2.862 -1.269 -8.604 466 HD11 LEU 57 1HD1 LEU 57 4.568 -0.609 -6.984 467 HD12 LEU 57 2HD1 LEU 57 3.422 -0.859 -5.667 468 HD13 LEU 57 3HD1 LEU 57 3.139 0.417 -6.850 469 HD21 LEU 57 3HD2 LEU 57 4.345 -2.976 -7.664 470 HD22 LEU 57 1HD2 LEU 57 2.762 -3.646 -8.060 471 HD23 LEU 57 2HD2 LEU 57 3.174 -3.287 -6.382 472 H ALA 58 HN ALA 58 -1.347 -0.407 -7.706 473 HA ALA 58 HA ALA 58 -3.029 -1.716 -5.860 474 HB1 ALA 58 1HB ALA 58 -4.528 0.188 -6.154 475 HB2 ALA 58 2HB ALA 58 -3.635 0.679 -7.593 476 HB3 ALA 58 3HB ALA 58 -2.854 0.723 -6.014 477 H ASP 59 HN ASP 59 -3.151 -1.345 -9.336 478 HA ASP 59 HA ASP 59 -5.743 -2.272 -9.841 479 HB2 ASP 59 2HB ASP 59 -4.465 -1.181 -11.566 480 HB3 ASP 59 1HB ASP 59 -3.211 -2.409 -11.484 481 H TYR 60 HN TYR 60 -2.670 -4.001 -9.599 482 HA TYR 60 HA TYR 60 -3.705 -6.512 -10.395 483 HB2 TYR 60 2HB TYR 60 -1.257 -5.666 -10.322 484 HB3 TYR 60 1HB TYR 60 -1.281 -6.204 -8.646 485 HD1 TYR 60 1HD TYR 60 -2.939 -7.798 -11.561 486 HD2 TYR 60 2HD TYR 60 0.195 -8.046 -8.695 487 HE1 TYR 60 1HE TYR 60 -2.430 -10.076 -12.326 488 HE2 TYR 60 2HE TYR 60 0.710 -10.329 -9.452 489 HH TYR 60 HH TYR 60 -0.530 -11.633 -12.335 490 H PHE 61 HN PHE 61 -3.432 -4.919 -7.281 491 HA PHE 61 HA PHE 61 -4.345 -7.300 -5.880 492 HB2 PHE 61 2HB PHE 61 -3.640 -4.521 -4.941 493 HB3 PHE 61 1HB PHE 61 -4.296 -5.750 -3.872 494 HD1 PHE 61 2HD PHE 61 -3.009 -7.945 -3.659 495 HD2 PHE 61 1HD PHE 61 -1.351 -4.409 -5.353 496 HE1 PHE 61 2HE PHE 61 -0.745 -8.829 -3.284 497 HE2 PHE 61 1HE PHE 61 0.917 -5.289 -4.979 498 HZ PHE 61 HZ PHE 61 1.221 -7.501 -3.942 499 H ASN 62 HN ASN 62 -5.725 -4.954 -7.678 500 HA ASN 62 HA ASN 62 -7.787 -4.113 -8.005 501 HB2 ASN 62 2HB ASN 62 -8.294 -6.616 -7.883 502 HB3 ASN 62 1HB ASN 62 -8.865 -6.313 -6.245 503 HD21 ASN 62 1HD2 ASN 62 -10.958 -6.965 -6.840 504 HD22 ASN 62 2HD2 ASN 62 -11.992 -5.926 -7.770 505 H ILE 63 HN ILE 63 -6.482 -2.683 -6.273 506 HA ILE 63 HA ILE 63 -8.528 -1.872 -4.323 507 HB ILE 63 HB ILE 63 -6.728 -1.253 -2.714 508 HG12 ILE 63 2HG1 ILE 63 -4.965 -2.952 -4.494 509 HG13 ILE 63 1HG1 ILE 63 -4.866 -1.202 -4.343 510 HG21 ILE 63 1HG2 ILE 63 -8.027 -3.279 -2.382 511 HG22 ILE 63 2HG2 ILE 63 -6.363 -3.517 -1.851 512 HG23 ILE 63 3HG2 ILE 63 -6.901 -4.187 -3.391 513 HD11 ILE 63 3HD1 ILE 63 -3.147 -2.301 -3.036 514 HD12 ILE 63 1HD1 ILE 63 -4.380 -3.191 -2.140 515 HD13 ILE 63 2HD1 ILE 63 -4.276 -1.434 -1.992 516 H ASN 64 HN ASN 64 -7.415 0.361 -3.311 517 HA ASN 64 HA ASN 64 -6.986 2.054 -5.679 518 HB2 ASN 64 2HB ASN 64 -7.926 2.668 -2.871 519 HB3 ASN 64 1HB ASN 64 -7.458 3.930 -4.004 520 HD21 ASN 64 1HD2 ASN 64 -9.508 4.817 -3.950 521 HD22 ASN 64 2HD2 ASN 64 -10.846 4.088 -4.776 522 H LYS 65 HN LYS 65 -5.359 3.768 -5.510 523 HA LYS 65 HA LYS 65 -2.920 2.880 -4.380 524 HB2 LYS 65 2HB LYS 65 -1.963 4.967 -5.082 525 HB3 LYS 65 1HB LYS 65 -3.059 4.416 -6.339 526 HG2 LYS 65 2HG LYS 65 -4.748 5.998 -5.581 527 HG3 LYS 65 1HG LYS 65 -3.674 6.534 -4.285 528 HD2 LYS 65 2HD LYS 65 -2.020 7.217 -6.003 529 HD3 LYS 65 1HD LYS 65 -3.186 6.780 -7.254 530 HE2 LYS 65 2HE LYS 65 -3.608 8.859 -5.111 531 HE3 LYS 65 1HE LYS 65 -3.177 9.193 -6.787 532 HZ1 LYS 65 3HZ LYS 65 -5.684 7.901 -5.842 533 HZ2 LYS 65 1HZ LYS 65 -5.267 8.142 -7.470 534 HZ3 LYS 65 2HZ LYS 65 -5.529 9.476 -6.454 535 H SER 66 HN SER 66 -5.524 4.849 -3.237 536 HA SER 66 HA SER 66 -4.355 6.141 -1.066 537 HB2 SER 66 2HB SER 66 -7.159 5.021 -1.080 538 HB3 SER 66 1HB SER 66 -6.577 6.510 -0.322 539 HG SER 66 HG SER 66 -7.753 6.522 -2.510 540 H ASP 67 HN ASP 67 -5.247 2.804 -1.495 541 HA ASP 67 HA ASP 67 -5.281 2.139 1.294 542 HB2 ASP 67 2HB ASP 67 -5.040 0.364 -1.148 543 HB3 ASP 67 1HB ASP 67 -5.266 -0.215 0.498 544 H LEU 68 HN LEU 68 -2.894 2.458 -1.165 545 HA LEU 68 HA LEU 68 -0.858 1.043 0.376 546 HB2 LEU 68 2HB LEU 68 -0.731 2.387 -2.326 547 HB3 LEU 68 1HB LEU 68 0.590 1.512 -1.578 548 HG LEU 68 HG LEU 68 -2.054 0.298 -2.378 549 HD11 LEU 68 1HD1 LEU 68 -0.735 0.963 -4.316 550 HD12 LEU 68 2HD1 LEU 68 -0.780 -0.792 -4.152 551 HD13 LEU 68 3HD1 LEU 68 0.662 0.102 -3.669 552 HD21 LEU 68 3HD2 LEU 68 0.495 -0.961 -1.374 553 HD22 LEU 68 1HD2 LEU 68 -0.939 -1.830 -1.925 554 HD23 LEU 68 2HD2 LEU 68 -1.019 -0.824 -0.477 555 H ILE 69 HN ILE 69 -1.607 4.277 -0.822 556 HA ILE 69 HA ILE 69 0.832 5.459 0.034 557 HB ILE 69 HB ILE 69 -1.801 6.779 -0.655 558 HG12 ILE 69 2HG1 ILE 69 -0.865 5.468 -2.518 559 HG13 ILE 69 1HG1 ILE 69 -0.793 7.195 -2.857 560 HG21 ILE 69 1HG2 ILE 69 -0.414 8.260 0.663 561 HG22 ILE 69 2HG2 ILE 69 -0.466 8.814 -1.010 562 HG23 ILE 69 3HG2 ILE 69 0.956 7.963 -0.405 563 HD11 ILE 69 3HD1 ILE 69 1.495 5.468 -1.929 564 HD12 ILE 69 1HD1 ILE 69 1.572 7.199 -2.258 565 HD13 ILE 69 2HD1 ILE 69 1.232 6.070 -3.568 566 H GLU 70 HN GLU 70 -2.475 5.486 1.406 567 HA GLU 70 HA GLU 70 -1.568 6.929 3.720 568 HB2 GLU 70 2HB GLU 70 -4.198 5.731 2.906 569 HB3 GLU 70 1HB GLU 70 -3.938 6.364 4.513 570 HG2 GLU 70 2HG GLU 70 -4.907 8.151 3.448 571 HG3 GLU 70 1HG GLU 70 -3.192 8.516 3.297 572 H ASP 71 HN ASP 71 -1.826 6.080 5.881 573 HA ASP 71 HA ASP 71 -0.869 3.325 5.999 574 HB2 ASP 71 2HB ASP 71 0.538 4.922 7.125 575 HB3 ASP 71 1HB ASP 71 -0.828 5.557 8.038 576 H LYS 72 HN LYS 72 -1.977 1.712 6.922 577 HA LYS 72 HA LYS 72 -4.714 2.291 7.722 578 HB2 LYS 72 2HB LYS 72 -3.341 -0.334 7.150 579 HB3 LYS 72 1HB LYS 72 -5.034 -0.169 7.593 580 HG2 LYS 72 2HG LYS 72 -5.411 1.180 5.568 581 HG3 LYS 72 1HG LYS 72 -3.721 0.944 5.119 582 HD2 LYS 72 2HD LYS 72 -5.792 -1.221 5.462 583 HD3 LYS 72 1HD LYS 72 -5.161 -0.614 3.929 584 HE2 LYS 72 2HE LYS 72 -2.914 -1.365 4.574 585 HE3 LYS 72 1HE LYS 72 -3.569 -1.991 6.087 586 HZ1 LYS 72 3HZ LYS 72 -3.290 -3.712 4.397 587 HZ2 LYS 72 1HZ LYS 72 -4.374 -2.896 3.378 588 HZ3 LYS 72 2HZ LYS 72 -4.921 -3.537 4.851 589 H LYS 73 HN LYS 73 -1.749 1.896 9.189 590 HA LYS 73 HA LYS 73 -2.823 0.772 11.627 591 HB2 LYS 73 2HB LYS 73 -0.485 0.296 10.921 592 HB3 LYS 73 1HB LYS 73 -0.110 2.005 11.093 593 HG2 LYS 73 2HG LYS 73 -0.526 1.900 13.463 594 HG3 LYS 73 1HG LYS 73 -1.047 0.222 13.321 595 HD2 LYS 73 2HD LYS 73 1.150 -0.499 12.753 596 HD3 LYS 73 1HD LYS 73 1.708 1.165 12.553 597 HE2 LYS 73 2HE LYS 73 0.745 -0.015 15.158 598 HE3 LYS 73 1HE LYS 73 2.438 0.108 14.684 599 HZ1 LYS 73 3HZ LYS 73 1.733 1.943 16.127 600 HZ2 LYS 73 1HZ LYS 73 0.584 2.412 14.971 601 HZ3 LYS 73 2HZ LYS 73 2.233 2.490 14.602 602 H LEU 74 HN LEU 74 -3.177 3.537 10.112 603 HA LEU 74 HA LEU 74 -3.201 5.248 12.453 604 HB2 LEU 74 2HB LEU 74 -3.859 5.737 9.553 605 HB3 LEU 74 1HB LEU 74 -4.062 6.936 10.805 606 HG LEU 74 HG LEU 74 -1.446 5.691 9.974 607 HD11 LEU 74 1HD1 LEU 74 -2.326 7.211 8.293 608 HD12 LEU 74 2HD1 LEU 74 -0.928 7.921 9.103 609 HD13 LEU 74 3HD1 LEU 74 -2.556 8.456 9.519 610 HD21 LEU 74 3HD2 LEU 74 -1.478 6.261 12.347 611 HD22 LEU 74 1HD2 LEU 74 -2.020 7.891 11.955 612 HD23 LEU 74 2HD2 LEU 74 -0.423 7.347 11.446 613 H ASN 75 HN ASN 75 -4.773 3.938 13.542 614 HA ASN 75 HA ASN 75 -7.352 3.439 12.550 615 HB2 ASN 75 2HB ASN 75 -6.356 2.294 14.527 616 HB3 ASN 75 1HB ASN 75 -6.520 3.791 15.438 617 HD21 ASN 75 1HD2 ASN 75 -8.161 1.084 14.043 618 HD22 ASN 75 2HD2 ASN 75 -9.691 1.360 14.811 619 H ILE 76 HN ILE 76 -8.701 4.926 11.913 620 HA ILE 76 HA ILE 76 -8.471 7.661 12.388 621 HB ILE 76 HB ILE 76 -10.963 6.156 11.576 622 HG12 ILE 76 2HG1 ILE 76 -9.091 5.671 10.081 623 HG13 ILE 76 1HG1 ILE 76 -10.270 6.695 9.269 624 HG21 ILE 76 1HG2 ILE 76 -11.459 8.417 12.306 625 HG22 ILE 76 2HG2 ILE 76 -11.651 8.281 10.558 626 HG23 ILE 76 3HG2 ILE 76 -10.217 9.057 11.231 627 HD11 ILE 76 3HD1 ILE 76 -7.661 7.596 10.474 628 HD12 ILE 76 1HD1 ILE 76 -8.848 8.644 9.696 629 HD13 ILE 76 2HD1 ILE 76 -8.014 7.406 8.755 630 H ASP 77 HN ASP 77 -9.318 9.033 13.855 631 HA ASP 77 HA ASP 77 -10.791 7.833 16.072 632 HB2 ASP 77 2HB ASP 77 -8.466 8.196 16.753 633 HB3 ASP 77 1HB ASP 77 -8.568 9.884 16.252 634 H THR 78 HN THR 78 -12.695 8.619 15.977 635 HA THR 78 HA THR 78 -13.691 10.866 14.762 636 HB THR 78 HB THR 78 -15.078 9.025 15.690 637 HG1 THR 78 1HG THR 78 -16.041 11.087 15.191 638 HG21 THR 78 3HG2 THR 78 -14.568 10.372 18.344 639 HG22 THR 78 1HG2 THR 78 -13.972 8.782 17.856 640 HG23 THR 78 2HG2 THR 78 -15.703 9.054 18.056 641 H VAL 79 HN VAL 79 -14.525 12.855 15.651 642 HA VAL 79 HA VAL 79 -12.873 13.916 17.823 643 HB VAL 79 HB VAL 79 -12.610 15.212 15.825 644 HG11 VAL 79 1HG1 VAL 79 -15.606 15.521 15.751 645 HG12 VAL 79 2HG1 VAL 79 -14.631 14.560 14.641 646 HG13 VAL 79 3HG1 VAL 79 -14.461 16.316 14.671 647 HG21 VAL 79 3HG2 VAL 79 -13.401 17.432 16.555 648 HG22 VAL 79 1HG2 VAL 79 -12.632 16.510 17.847 649 HG23 VAL 79 2HG2 VAL 79 -14.390 16.645 17.786 650 HA PRO 80 HA PRO 80 -16.874 13.024 19.788 651 HB2 PRO 80 2HB PRO 80 -15.300 13.178 22.265 652 HB3 PRO 80 1HB PRO 80 -16.242 11.832 21.617 653 HG2 PRO 80 2HG PRO 80 -13.558 11.782 21.669 654 HG3 PRO 80 1HG PRO 80 -14.485 11.034 20.354 655 HD2 PRO 80 2HD PRO 80 -13.071 13.680 20.404 656 HD3 PRO 80 1HD PRO 80 -13.112 12.449 19.122 657 H ILE 81 HN ILE 81 -18.189 14.101 21.368 658 HA ILE 81 HA ILE 81 -18.051 16.911 21.320 659 HB ILE 81 HB ILE 81 -20.170 15.798 21.591 660 HG12 ILE 81 2HG1 ILE 81 -19.515 17.331 24.114 661 HG13 ILE 81 1HG1 ILE 81 -19.922 18.056 22.563 662 HG21 ILE 81 1HG2 ILE 81 -19.122 14.795 24.230 663 HG22 ILE 81 2HG2 ILE 81 -19.469 13.828 22.797 664 HG23 ILE 81 3HG2 ILE 81 -20.781 14.626 23.661 665 HD11 ILE 81 3HD1 ILE 81 -21.834 18.072 24.050 666 HD12 ILE 81 1HD1 ILE 81 -21.728 16.320 24.235 667 HD13 ILE 81 2HD1 ILE 81 -22.136 17.018 22.667 668 H GLU 82 HN GLU 82 -17.382 18.396 22.838 669 HA GLU 82 HA GLU 82 -15.414 17.349 24.712 670 HB2 GLU 82 2HB GLU 82 -14.655 19.737 24.837 671 HB3 GLU 82 1HB GLU 82 -14.524 18.997 23.250 672 HG2 GLU 82 2HG GLU 82 -15.413 20.977 22.628 673 HG3 GLU 82 1HG GLU 82 -16.915 20.116 22.957 674 H SER 83 HN SER 83 -15.178 18.602 26.817 675 HA SER 83 HA SER 83 -17.865 18.800 28.004 676 HB2 SER 83 2HB SER 83 -16.352 16.842 28.650 677 HB3 SER 83 1HB SER 83 -15.335 18.027 29.464 678 HG SER 83 HG SER 83 -17.406 16.823 30.456 679 H GLY 84 HN GLY 84 -18.389 20.815 28.526 680 HA2 GLY 84 2HA GLY 84 -18.261 22.928 29.439 681 HA3 GLY 84 1HA GLY 84 -16.704 22.480 30.127 682 H TYR 85 HN TYR 85 -14.835 22.794 28.944 683 HA TYR 85 HA TYR 85 -15.012 23.775 26.243 684 HB2 TYR 85 2HB TYR 85 -13.402 25.666 26.729 685 HB3 TYR 85 1HB TYR 85 -15.048 25.905 27.288 686 HD1 TYR 85 2HD TYR 85 -15.549 25.769 29.723 687 HD2 TYR 85 1HD TYR 85 -11.563 25.623 28.250 688 HE1 TYR 85 2HE TYR 85 -14.709 26.332 31.963 689 HE2 TYR 85 1HE TYR 85 -10.713 26.194 30.485 690 HH TYR 85 HH TYR 85 -11.473 27.270 32.530 691 H THR 86 HN THR 86 -13.796 22.402 25.217 692 HA THR 86 HA THR 86 -11.197 21.645 26.393 693 HB THR 86 HB THR 86 -12.985 19.759 24.849 694 HG1 THR 86 1HG THR 86 -13.687 20.529 27.081 695 HG21 THR 86 3HG2 THR 86 -10.555 19.260 26.567 696 HG22 THR 86 1HG2 THR 86 -10.589 19.228 24.807 697 HG23 THR 86 2HG2 THR 86 -11.500 18.034 25.729 698 H LEU 87 HN LEU 87 -9.510 21.617 24.984 699 HA LEU 87 HA LEU 87 -9.881 22.834 22.421 700 HB2 LEU 87 2HB LEU 87 -7.418 21.674 23.719 701 HB3 LEU 87 1HB LEU 87 -7.423 22.564 22.210 702 HG LEU 87 HG LEU 87 -8.226 23.682 24.900 703 HD11 LEU 87 1HD1 LEU 87 -5.753 24.151 23.237 704 HD12 LEU 87 2HD1 LEU 87 -5.830 23.276 24.767 705 HD13 LEU 87 3HD1 LEU 87 -6.176 25.005 24.722 706 HD21 LEU 87 3HD2 LEU 87 -8.286 25.836 23.761 707 HD22 LEU 87 1HD2 LEU 87 -9.447 24.714 23.049 708 HD23 LEU 87 2HD2 LEU 87 -7.923 25.046 22.226 709 H GLU 88 HN GLU 88 -11.187 21.320 21.344 710 HA GLU 88 HA GLU 88 -9.730 18.965 20.387 711 HB2 GLU 88 2HB GLU 88 -12.079 18.431 19.374 712 HB3 GLU 88 1HB GLU 88 -11.764 18.119 21.069 713 HG2 GLU 88 2HG GLU 88 -13.917 19.084 20.883 714 HG3 GLU 88 1HG GLU 88 -12.850 20.280 21.612 715 H HIS 89 HN HIS 89 -11.191 18.746 17.901 716 HA HIS 89 HA HIS 89 -10.109 21.120 16.543 717 HB2 HIS 89 2HB HIS 89 -8.555 19.066 16.568 718 HB3 HIS 89 1HB HIS 89 -9.705 18.347 15.445 719 HD1 HIS 89 1HD HIS 89 -7.287 21.221 15.742 720 HD2 HIS 89 2HD HIS 89 -9.487 19.228 12.825 721 HE1 HIS 89 1HE HIS 89 -6.444 22.091 13.537 722 HE2 HIS 89 2HE HIS 89 -7.889 20.988 11.797 723 H HIS 90 HN HIS 90 -11.733 22.056 15.531 724 HA HIS 90 HA HIS 90 -13.898 20.457 14.388 725 HB2 HIS 90 2HB HIS 90 -13.516 23.458 14.548 726 HB3 HIS 90 1HB HIS 90 -14.919 22.667 13.845 727 HD1 HIS 90 1HD HIS 90 -16.494 21.359 15.538 728 HD2 HIS 90 2HD HIS 90 -13.571 23.753 17.273 729 HE1 HIS 90 1HE HIS 90 -17.203 21.672 17.932 730 HE2 HIS 90 2HE HIS 90 -15.281 22.898 19.005 731 H HIS 91 HN HIS 91 -13.685 19.716 12.375 732 HA HIS 91 HA HIS 91 -12.284 21.392 10.414 733 HB2 HIS 91 2HB HIS 91 -10.795 19.545 11.241 734 HB3 HIS 91 1HB HIS 91 -11.957 18.390 10.602 735 HD1 HIS 91 1HD HIS 91 -10.361 21.486 9.035 736 HD2 HIS 91 2HD HIS 91 -10.872 17.417 8.326 737 HE1 HIS 91 1HE HIS 91 -9.280 21.043 6.811 738 HE2 HIS 91 2HE HIS 91 -9.419 18.546 6.505 739 H HIS 92 HN HIS 92 -14.020 22.041 9.301 740 HA HIS 92 HA HIS 92 -16.156 20.169 8.658 741 HB2 HIS 92 2HB HIS 92 -16.562 22.549 9.429 742 HB3 HIS 92 1HB HIS 92 -15.919 23.085 7.884 743 HD1 HIS 92 1HD HIS 92 -17.688 23.586 6.227 744 HD2 HIS 92 2HD HIS 92 -18.873 20.649 8.932 745 HE1 HIS 92 1HE HIS 92 -20.061 23.013 5.620 746 HE2 HIS 92 2HE HIS 92 -20.817 21.407 7.405 747 H HIS 93 HN HIS 93 -16.719 19.567 6.558 748 HA HIS 93 HA HIS 93 -14.491 19.483 4.715 749 HB2 HIS 93 2HB HIS 93 -15.933 17.509 5.222 750 HB3 HIS 93 1HB HIS 93 -17.275 18.326 4.432 751 HD1 HIS 93 1HD HIS 93 -13.676 17.528 3.377 752 HD2 HIS 93 2HD HIS 93 -17.586 17.335 1.960 753 HE1 HIS 93 1HE HIS 93 -13.518 16.553 1.062 754 HE2 HIS 93 2HE HIS 93 -15.904 16.346 0.264 755 H HIS 94 HN HIS 94 -15.808 22.060 5.175 756 HA HIS 94 HA HIS 94 -15.797 23.024 2.533 757 HB2 HIS 94 2HB HIS 94 -18.113 21.933 2.667 758 HB3 HIS 94 1HB HIS 94 -18.530 23.213 3.802 759 HD1 HIS 94 1HD HIS 94 -18.263 22.458 0.243 760 HD2 HIS 94 2HD HIS 94 -18.403 25.876 2.605 761 HE1 HIS 94 1HE HIS 94 -18.786 24.347 -1.332 762 HE2 HIS 94 2HE HIS 94 -18.640 26.421 0.084 Start of MODEL 18 1 H1 MET 1 H1 MET 1 13.975 16.363 6.646 2 H2 MET 1 H2 MET 1 15.386 16.914 5.890 3 H3 MET 1 H3 MET 1 15.385 16.612 7.558 4 HA MET 1 HA MET 1 16.505 14.841 6.414 5 HB2 MET 1 2HB MET 1 13.765 14.025 7.409 6 HB3 MET 1 1HB MET 1 15.129 12.938 7.192 7 HG2 MET 1 2HG MET 1 16.381 14.187 8.882 8 HG3 MET 1 1HG MET 1 14.991 15.246 9.115 9 HE1 MET 1 2HE MET 1 14.996 11.359 8.464 10 HE2 MET 1 3HE MET 1 14.998 10.736 10.114 11 HE3 MET 1 1HE MET 1 16.403 11.608 9.499 12 H VAL 2 HN VAL 2 16.449 13.121 4.861 13 HA VAL 2 HA VAL 2 14.521 13.645 2.687 14 HB VAL 2 HB VAL 2 16.243 12.830 1.118 15 HG11 VAL 2 1HG1 VAL 2 17.177 15.111 2.858 16 HG12 VAL 2 2HG1 VAL 2 16.007 15.223 1.541 17 HG13 VAL 2 3HG1 VAL 2 17.684 14.795 1.198 18 HG21 VAL 2 3HG2 VAL 2 18.059 12.812 3.529 19 HG22 VAL 2 1HG2 VAL 2 18.554 12.552 1.857 20 HG23 VAL 2 2HG2 VAL 2 17.489 11.392 2.650 21 H LYS 3 HN LYS 3 14.719 11.599 5.060 22 HA LYS 3 HA LYS 3 14.892 9.064 3.739 23 HB2 LYS 3 2HB LYS 3 15.391 9.247 6.137 24 HB3 LYS 3 1HB LYS 3 13.729 9.741 6.450 25 HG2 LYS 3 2HG LYS 3 12.999 7.548 5.467 26 HG3 LYS 3 1HG LYS 3 14.696 7.073 5.454 27 HD2 LYS 3 2HD LYS 3 14.808 7.327 7.875 28 HD3 LYS 3 1HD LYS 3 13.127 7.873 7.906 29 HE2 LYS 3 2HE LYS 3 12.426 5.709 6.969 30 HE3 LYS 3 1HE LYS 3 14.102 5.169 6.994 31 HZ1 LYS 3 3HZ LYS 3 14.096 5.436 9.412 32 HZ2 LYS 3 1HZ LYS 3 12.916 4.330 8.894 33 HZ3 LYS 3 2HZ LYS 3 12.461 5.896 9.362 34 H ASP 4 HN ASP 4 12.234 11.049 4.978 35 HA ASP 4 HA ASP 4 9.995 11.032 4.666 36 HB2 ASP 4 2HB ASP 4 10.629 9.496 2.141 37 HB3 ASP 4 1HB ASP 4 9.068 10.201 2.538 38 H LYS 5 HN LYS 5 8.911 9.913 6.128 39 HA LYS 5 HA LYS 5 9.140 7.163 6.643 40 HB2 LYS 5 2HB LYS 5 8.072 8.869 8.159 41 HB3 LYS 5 1HB LYS 5 6.668 8.849 7.102 42 HG2 LYS 5 2HG LYS 5 6.498 6.380 7.538 43 HG3 LYS 5 1HG LYS 5 7.739 6.587 8.772 44 HD2 LYS 5 2HD LYS 5 6.263 8.269 9.876 45 HD3 LYS 5 1HD LYS 5 5.010 7.869 8.701 46 HE2 LYS 5 2HE LYS 5 6.258 5.999 10.717 47 HE3 LYS 5 1HE LYS 5 4.623 6.657 10.759 48 HZ1 LYS 5 3HZ LYS 5 4.731 4.359 9.919 49 HZ2 LYS 5 1HZ LYS 5 5.667 4.889 8.615 50 HZ3 LYS 5 2HZ LYS 5 4.062 5.428 8.788 51 H GLN 6 HN GLN 6 7.339 8.937 4.294 52 HA GLN 6 HA GLN 6 5.330 7.176 3.573 53 HB2 GLN 6 2HB GLN 6 5.579 9.510 2.771 54 HB3 GLN 6 1HB GLN 6 6.914 8.994 1.751 55 HG2 GLN 6 2HG GLN 6 4.866 9.229 0.474 56 HG3 GLN 6 1HG GLN 6 5.422 7.557 0.490 57 HE21 GLN 6 1HE2 GLN 6 3.010 9.791 1.629 58 HE22 GLN 6 2HE2 GLN 6 1.877 8.592 2.149 59 H LYS 7 HN LYS 7 8.741 7.154 2.667 60 HA LYS 7 HA LYS 7 8.498 5.224 0.606 61 HB2 LYS 7 2HB LYS 7 10.638 6.631 1.973 62 HB3 LYS 7 1HB LYS 7 11.070 4.958 1.652 63 HG2 LYS 7 2HG LYS 7 10.976 5.226 -0.631 64 HG3 LYS 7 1HG LYS 7 9.884 6.605 -0.531 65 HD2 LYS 7 2HD LYS 7 12.736 6.707 0.430 66 HD3 LYS 7 1HD LYS 7 12.266 7.119 -1.220 67 HE2 LYS 7 2HE LYS 7 10.782 8.857 -0.379 68 HE3 LYS 7 1HE LYS 7 11.194 8.427 1.279 69 HZ1 LYS 7 3HZ LYS 7 13.046 9.547 -0.761 70 HZ2 LYS 7 1HZ LYS 7 13.493 9.073 0.804 71 HZ3 LYS 7 2HZ LYS 7 12.419 10.362 0.593 72 H ALA 8 HN ALA 8 8.991 5.006 4.077 73 HA ALA 8 HA ALA 8 9.335 2.155 4.093 74 HB1 ALA 8 1HB ALA 8 9.151 2.342 6.518 75 HB2 ALA 8 2HB ALA 8 8.634 4.021 6.363 76 HB3 ALA 8 3HB ALA 8 10.263 3.550 5.879 77 H ILE 9 HN ILE 9 6.658 4.399 4.443 78 HA ILE 9 HA ILE 9 4.676 2.616 5.314 79 HB ILE 9 HB ILE 9 4.358 5.020 3.501 80 HG12 ILE 9 2HG1 ILE 9 4.028 4.783 6.500 81 HG13 ILE 9 1HG1 ILE 9 5.412 5.512 5.687 82 HG21 ILE 9 1HG2 ILE 9 2.298 3.539 5.139 83 HG22 ILE 9 2HG2 ILE 9 2.419 3.557 3.379 84 HG23 ILE 9 3HG2 ILE 9 2.026 5.039 4.248 85 HD11 ILE 9 3HD1 ILE 9 3.950 7.217 4.733 86 HD12 ILE 9 1HD1 ILE 9 3.877 7.205 6.493 87 HD13 ILE 9 2HD1 ILE 9 2.567 6.490 5.551 88 H PHE 10 HN PHE 10 5.544 3.640 2.026 89 HA PHE 10 HA PHE 10 3.810 2.047 0.570 90 HB2 PHE 10 2HB PHE 10 5.287 3.821 -0.366 91 HB3 PHE 10 1HB PHE 10 6.665 2.746 -0.167 92 HD1 PHE 10 2HD PHE 10 3.473 3.211 -1.964 93 HD2 PHE 10 1HD PHE 10 7.155 1.085 -1.767 94 HE1 PHE 10 2HE PHE 10 3.046 2.272 -4.195 95 HE2 PHE 10 1HE PHE 10 6.735 0.144 -4.000 96 HZ PHE 10 HZ PHE 10 4.677 0.736 -5.215 97 H SER 11 HN SER 11 7.047 1.281 1.786 98 HA SER 11 HA SER 11 7.244 -1.321 0.766 99 HB2 SER 11 2HB SER 11 9.190 -0.171 1.644 100 HB3 SER 11 1HB SER 11 8.463 -0.091 3.249 101 HG SER 11 HG SER 11 9.492 -2.327 1.860 102 H GLU 12 HN GLU 12 6.188 -0.200 3.970 103 HA GLU 12 HA GLU 12 5.654 -2.711 5.085 104 HB2 GLU 12 2HB GLU 12 5.842 -0.652 6.403 105 HB3 GLU 12 1HB GLU 12 4.369 -0.035 5.672 106 HG2 GLU 12 2HG GLU 12 3.842 -0.817 7.852 107 HG3 GLU 12 1HG GLU 12 3.136 -1.934 6.686 108 H ASN 13 HN ASN 13 3.404 -0.414 3.558 109 HA ASN 13 HA ASN 13 1.111 -2.003 3.951 110 HB2 ASN 13 2HB ASN 13 1.703 0.293 2.094 111 HB3 ASN 13 1HB ASN 13 0.125 -0.485 2.149 112 HD21 ASN 13 1HD2 ASN 13 -0.760 1.511 2.810 113 HD22 ASN 13 2HD2 ASN 13 -0.594 2.066 4.442 114 H LEU 14 HN LEU 14 3.257 -1.638 1.154 115 HA LEU 14 HA LEU 14 1.788 -3.237 -0.624 116 HB2 LEU 14 2HB LEU 14 3.658 -1.730 -1.253 117 HB3 LEU 14 1HB LEU 14 4.782 -2.857 -0.519 118 HG LEU 14 HG LEU 14 4.081 -4.577 -2.163 119 HD11 LEU 14 1HD1 LEU 14 2.536 -2.304 -3.404 120 HD12 LEU 14 2HD1 LEU 14 1.845 -3.743 -2.652 121 HD13 LEU 14 3HD1 LEU 14 2.798 -3.892 -4.129 122 HD21 LEU 14 3HD2 LEU 14 5.218 -3.562 -4.092 123 HD22 LEU 14 1HD2 LEU 14 6.066 -3.248 -2.576 124 HD23 LEU 14 2HD2 LEU 14 5.088 -1.982 -3.318 125 H ASN 15 HN ASN 15 4.445 -4.056 1.585 126 HA ASN 15 HA ASN 15 4.749 -6.739 0.874 127 HB2 ASN 15 2HB ASN 15 5.459 -5.102 3.247 128 HB3 ASN 15 1HB ASN 15 5.466 -6.849 3.456 129 HD21 ASN 15 1HD2 ASN 15 6.932 -4.144 1.838 130 HD22 ASN 15 2HD2 ASN 15 8.314 -5.002 1.233 131 H SER 16 HN SER 16 2.493 -5.227 3.100 132 HA SER 16 HA SER 16 1.571 -7.538 4.389 133 HB2 SER 16 2HB SER 16 0.075 -4.971 3.793 134 HB3 SER 16 1HB SER 16 -0.404 -6.185 4.982 135 HG SER 16 HG SER 16 2.189 -5.364 5.295 136 H TYR 17 HN TYR 17 0.507 -5.959 1.394 137 HA TYR 17 HA TYR 17 -1.653 -7.822 0.997 138 HB2 TYR 17 2HB TYR 17 -0.435 -5.729 -0.820 139 HB3 TYR 17 1HB TYR 17 -1.828 -6.715 -1.255 140 HD1 TYR 17 1HD TYR 17 -3.798 -6.665 0.488 141 HD2 TYR 17 2HD TYR 17 -0.813 -3.655 0.148 142 HE1 TYR 17 1HE TYR 17 -5.296 -5.062 1.592 143 HE2 TYR 17 2HE TYR 17 -2.304 -2.043 1.256 144 HH TYR 17 HH TYR 17 -4.785 -1.744 1.593 145 H ILE 18 HN ILE 18 1.641 -7.447 -0.208 146 HA ILE 18 HA ILE 18 1.590 -9.352 -2.249 147 HB ILE 18 HB ILE 18 3.900 -8.668 -0.419 148 HG12 ILE 18 2HG1 ILE 18 3.210 -7.614 -3.171 149 HG13 ILE 18 1HG1 ILE 18 2.947 -6.744 -1.663 150 HG21 ILE 18 1HG2 ILE 18 4.294 -10.786 -1.554 151 HG22 ILE 18 2HG2 ILE 18 5.336 -9.524 -2.219 152 HG23 ILE 18 3HG2 ILE 18 3.904 -10.043 -3.107 153 HD11 ILE 18 3HD1 ILE 18 4.959 -5.987 -2.799 154 HD12 ILE 18 1HD1 ILE 18 5.616 -7.623 -2.742 155 HD13 ILE 18 2HD1 ILE 18 5.341 -6.730 -1.246 156 H ALA 19 HN ALA 19 2.415 -9.782 1.190 157 HA ALA 19 HA ALA 19 2.958 -12.548 1.013 158 HB1 ALA 19 1HB ALA 19 2.065 -10.976 3.426 159 HB2 ALA 19 2HB ALA 19 3.729 -11.103 2.852 160 HB3 ALA 19 3HB ALA 19 2.884 -12.540 3.433 161 H LYS 20 HN LYS 20 -0.014 -10.752 1.548 162 HA LYS 20 HA LYS 20 -1.500 -13.068 2.346 163 HB2 LYS 20 2HB LYS 20 -2.121 -10.188 1.894 164 HB3 LYS 20 1HB LYS 20 -3.442 -11.340 1.943 165 HG2 LYS 20 2HG LYS 20 -2.684 -12.100 4.150 166 HG3 LYS 20 1HG LYS 20 -1.383 -10.914 4.094 167 HD2 LYS 20 2HD LYS 20 -2.993 -9.101 4.072 168 HD3 LYS 20 1HD LYS 20 -4.328 -10.256 4.002 169 HE2 LYS 20 2HE LYS 20 -3.739 -11.128 6.175 170 HE3 LYS 20 1HE LYS 20 -2.319 -10.087 6.243 171 HZ1 LYS 20 3HZ LYS 20 -5.157 -9.198 6.240 172 HZ2 LYS 20 1HZ LYS 20 -3.812 -8.160 6.213 173 HZ3 LYS 20 2HZ LYS 20 -4.084 -9.160 7.553 174 H SER 21 HN SER 21 -0.875 -11.402 -0.654 175 HA SER 21 HA SER 21 -2.859 -12.876 -2.125 176 HB2 SER 21 2HB SER 21 -1.970 -10.635 -2.842 177 HB3 SER 21 1HB SER 21 -0.423 -11.409 -3.182 178 HG SER 21 HG SER 21 -2.894 -12.172 -4.367 179 H GLU 22 HN GLU 22 0.501 -13.170 -1.313 180 HA GLU 22 HA GLU 22 1.963 -14.871 -1.306 181 HB2 GLU 22 2HB GLU 22 -0.029 -16.088 -0.346 182 HB3 GLU 22 1HB GLU 22 -0.331 -16.717 -1.960 183 HG2 GLU 22 2HG GLU 22 1.651 -17.968 -1.969 184 HG3 GLU 22 1HG GLU 22 2.311 -17.086 -0.592 185 H LYS 23 HN LYS 23 1.201 -13.454 -3.817 186 HA LYS 23 HA LYS 23 2.299 -15.371 -5.719 187 HB2 LYS 23 2HB LYS 23 0.957 -12.728 -5.931 188 HB3 LYS 23 1HB LYS 23 2.184 -13.087 -7.128 189 HG2 LYS 23 2HG LYS 23 0.113 -13.732 -8.066 190 HG3 LYS 23 1HG LYS 23 0.935 -15.224 -7.610 191 HD2 LYS 23 2HD LYS 23 -0.380 -15.222 -5.494 192 HD3 LYS 23 1HD LYS 23 -1.274 -13.829 -6.103 193 HE2 LYS 23 2HE LYS 23 -2.577 -15.780 -6.545 194 HE3 LYS 23 1HE LYS 23 -1.925 -15.209 -8.079 195 HZ1 LYS 23 3HZ LYS 23 -0.734 -17.398 -6.461 196 HZ2 LYS 23 1HZ LYS 23 -0.249 -16.910 -8.012 197 HZ3 LYS 23 2HZ LYS 23 -1.766 -17.640 -7.781 198 H THR 24 HN THR 24 4.361 -15.016 -6.673 199 HA THR 24 HA THR 24 6.219 -14.006 -4.751 200 HB THR 24 HB THR 24 7.969 -14.644 -6.370 201 HG1 THR 24 1HG THR 24 6.951 -15.892 -8.271 202 HG21 THR 24 3HG2 THR 24 7.472 -17.057 -6.434 203 HG22 THR 24 1HG2 THR 24 5.795 -16.713 -6.004 204 HG23 THR 24 2HG2 THR 24 7.092 -16.346 -4.865 205 H GLN 25 HN GLN 25 7.842 -12.387 -5.138 206 HA GLN 25 HA GLN 25 6.853 -9.944 -6.070 207 HB2 GLN 25 2HB GLN 25 9.713 -10.851 -5.697 208 HB3 GLN 25 1HB GLN 25 9.228 -9.187 -5.970 209 HG2 GLN 25 2HG GLN 25 7.872 -9.302 -3.889 210 HG3 GLN 25 1HG GLN 25 8.531 -10.912 -3.607 211 HE21 GLN 25 1HE2 GLN 25 11.151 -10.162 -4.700 212 HE22 GLN 25 2HE2 GLN 25 11.915 -9.197 -3.478 213 H LEU 26 HN LEU 26 8.744 -12.443 -7.607 214 HA LEU 26 HA LEU 26 9.405 -11.186 -9.991 215 HB2 LEU 26 2HB LEU 26 8.693 -14.083 -9.607 216 HB3 LEU 26 1HB LEU 26 9.774 -13.395 -10.780 217 HG LEU 26 HG LEU 26 10.260 -13.569 -7.819 218 HD11 LEU 26 1HD1 LEU 26 10.525 -15.689 -8.979 219 HD12 LEU 26 2HD1 LEU 26 12.086 -15.056 -8.449 220 HD13 LEU 26 3HD1 LEU 26 11.610 -14.924 -10.141 221 HD21 LEU 26 3HD2 LEU 26 12.023 -12.434 -9.979 222 HD22 LEU 26 1HD2 LEU 26 12.465 -12.648 -8.285 223 HD23 LEU 26 2HD2 LEU 26 11.193 -11.510 -8.728 224 H GLU 27 HN GLU 27 6.646 -13.262 -9.169 225 HA GLU 27 HA GLU 27 5.300 -13.124 -11.608 226 HB2 GLU 27 2HB GLU 27 4.496 -13.725 -8.791 227 HB3 GLU 27 1HB GLU 27 3.280 -13.641 -10.047 228 HG2 GLU 27 2HG GLU 27 5.685 -15.442 -10.060 229 HG3 GLU 27 1HG GLU 27 4.040 -15.927 -9.647 230 H ILE 28 HN ILE 28 5.005 -11.101 -8.708 231 HA ILE 28 HA ILE 28 2.890 -9.507 -9.674 232 HB ILE 28 HB ILE 28 5.025 -8.761 -7.667 233 HG12 ILE 28 2HG1 ILE 28 2.241 -9.887 -7.288 234 HG13 ILE 28 1HG1 ILE 28 3.744 -10.766 -7.039 235 HG21 ILE 28 1HG2 ILE 28 2.318 -7.526 -8.188 236 HG22 ILE 28 2HG2 ILE 28 3.880 -6.803 -8.583 237 HG23 ILE 28 3HG2 ILE 28 3.435 -7.076 -6.897 238 HD11 ILE 28 3HD1 ILE 28 2.843 -8.364 -5.465 239 HD12 ILE 28 1HD1 ILE 28 4.322 -9.289 -5.202 240 HD13 ILE 28 2HD1 ILE 28 2.750 -10.044 -4.939 241 H ALA 29 HN ALA 29 6.416 -9.008 -9.729 242 HA ALA 29 HA ALA 29 6.427 -6.534 -11.043 243 HB1 ALA 29 1HB ALA 29 8.494 -8.728 -11.200 244 HB2 ALA 29 2HB ALA 29 8.402 -7.489 -9.948 245 HB3 ALA 29 3HB ALA 29 8.744 -7.032 -11.617 246 H LYS 30 HN LYS 30 6.417 -9.830 -12.305 247 HA LYS 30 HA LYS 30 6.596 -9.285 -15.040 248 HB2 LYS 30 2HB LYS 30 6.785 -11.537 -14.206 249 HB3 LYS 30 1HB LYS 30 5.163 -11.477 -13.535 250 HG2 LYS 30 2HG LYS 30 4.268 -11.309 -15.840 251 HG3 LYS 30 1HG LYS 30 5.913 -11.523 -16.450 252 HD2 LYS 30 2HD LYS 30 6.065 -13.689 -15.383 253 HD3 LYS 30 1HD LYS 30 4.478 -13.471 -14.645 254 HE2 LYS 30 2HE LYS 30 5.051 -13.650 -17.600 255 HE3 LYS 30 1HE LYS 30 4.367 -14.931 -16.600 256 HZ1 LYS 30 3HZ LYS 30 2.601 -13.095 -16.077 257 HZ2 LYS 30 1HZ LYS 30 2.494 -14.019 -17.499 258 HZ3 LYS 30 2HZ LYS 30 3.128 -12.453 -17.561 259 H SER 31 HN SER 31 3.799 -9.386 -12.886 260 HA SER 31 HA SER 31 1.845 -8.956 -14.890 261 HB2 SER 31 2HB SER 31 1.683 -8.299 -11.938 262 HB3 SER 31 1HB SER 31 0.324 -8.518 -13.040 263 HG SER 31 HG SER 31 2.242 -10.515 -12.365 264 H ILE 32 HN ILE 32 3.645 -6.802 -12.757 265 HA ILE 32 HA ILE 32 2.287 -4.416 -13.482 266 HB ILE 32 HB ILE 32 5.047 -4.767 -12.299 267 HG12 ILE 32 2HG1 ILE 32 3.361 -5.750 -10.863 268 HG13 ILE 32 1HG1 ILE 32 3.899 -4.231 -10.152 269 HG21 ILE 32 1HG2 ILE 32 4.784 -2.449 -11.523 270 HG22 ILE 32 2HG2 ILE 32 3.285 -2.329 -12.446 271 HG23 ILE 32 3HG2 ILE 32 4.819 -2.576 -13.281 272 HD11 ILE 32 3HD1 ILE 32 1.367 -4.623 -11.731 273 HD12 ILE 32 1HD1 ILE 32 1.899 -3.123 -10.970 274 HD13 ILE 32 2HD1 ILE 32 1.484 -4.518 -9.974 275 H GLY 33 HN GLY 33 5.300 -5.927 -14.590 276 HA2 GLY 33 2HA GLY 33 5.805 -5.805 -16.967 277 HA3 GLY 33 1HA GLY 33 5.165 -4.167 -16.960 278 H VAL 34 HN VAL 34 7.195 -5.316 -14.386 279 HA VAL 34 HA VAL 34 9.435 -3.741 -15.455 280 HB VAL 34 HB VAL 34 9.911 -2.933 -13.154 281 HG11 VAL 34 1HG1 VAL 34 8.169 -1.213 -13.098 282 HG12 VAL 34 2HG1 VAL 34 7.202 -2.157 -14.230 283 HG13 VAL 34 3HG1 VAL 34 8.754 -1.490 -14.738 284 HG21 VAL 34 3HG2 VAL 34 7.212 -4.130 -12.537 285 HG22 VAL 34 1HG2 VAL 34 8.095 -3.031 -11.474 286 HG23 VAL 34 2HG2 VAL 34 8.766 -4.617 -11.859 287 H SER 35 HN SER 35 11.501 -4.237 -14.334 288 HA SER 35 HA SER 35 11.889 -7.052 -14.210 289 HB2 SER 35 2HB SER 35 13.793 -4.817 -13.452 290 HB3 SER 35 1HB SER 35 14.235 -6.495 -13.778 291 HG SER 35 HG SER 35 12.995 -5.918 -15.897 292 HA PRO 36 HA PRO 36 11.002 -7.903 -9.998 293 HB2 PRO 36 2HB PRO 36 12.905 -9.852 -9.515 294 HB3 PRO 36 1HB PRO 36 11.371 -10.125 -10.344 295 HG2 PRO 36 2HG PRO 36 14.091 -9.668 -11.498 296 HG3 PRO 36 1HG PRO 36 12.837 -10.820 -11.998 297 HD2 PRO 36 2HD PRO 36 13.242 -8.539 -13.343 298 HD3 PRO 36 1HD PRO 36 11.608 -9.194 -13.106 299 H GLN 37 HN GLN 37 14.341 -7.214 -10.888 300 HA GLN 37 HA GLN 37 15.181 -6.683 -8.208 301 HB2 GLN 37 2HB GLN 37 16.396 -6.203 -10.904 302 HB3 GLN 37 1HB GLN 37 17.133 -5.558 -9.445 303 HG2 GLN 37 2HG GLN 37 17.266 -7.828 -8.525 304 HG3 GLN 37 1HG GLN 37 16.563 -8.460 -10.012 305 HE21 GLN 37 1HE2 GLN 37 17.810 -8.588 -11.846 306 HE22 GLN 37 2HE2 GLN 37 19.522 -8.334 -11.844 307 H THR 38 HN THR 38 13.606 -4.860 -10.676 308 HA THR 38 HA THR 38 14.164 -2.280 -9.522 309 HB THR 38 HB THR 38 11.909 -3.001 -11.408 310 HG1 THR 38 1HG THR 38 14.647 -2.833 -11.833 311 HG21 THR 38 3HG2 THR 38 12.107 -0.657 -12.115 312 HG22 THR 38 1HG2 THR 38 13.372 -0.404 -10.912 313 HG23 THR 38 2HG2 THR 38 11.729 -0.786 -10.396 314 H PHE 39 HN PHE 39 11.606 -4.685 -9.443 315 HA PHE 39 HA PHE 39 9.792 -3.364 -7.751 316 HB2 PHE 39 2HB PHE 39 9.356 -5.456 -9.047 317 HB3 PHE 39 1HB PHE 39 10.389 -6.328 -7.927 318 HD1 PHE 39 2HD PHE 39 7.159 -4.625 -8.322 319 HD2 PHE 39 1HD PHE 39 9.636 -6.925 -5.737 320 HE1 PHE 39 2HE PHE 39 5.228 -5.057 -6.859 321 HE2 PHE 39 1HE PHE 39 7.710 -7.361 -4.272 322 HZ PHE 39 HZ PHE 39 5.502 -6.431 -4.828 323 H ASN 40 HN ASN 40 12.684 -5.235 -7.167 324 HA ASN 40 HA ASN 40 12.589 -5.647 -4.441 325 HB2 ASN 40 2HB ASN 40 14.330 -6.726 -5.542 326 HB3 ASN 40 1HB ASN 40 14.829 -5.271 -6.396 327 HD21 ASN 40 1HD2 ASN 40 16.281 -3.928 -5.492 328 HD22 ASN 40 2HD2 ASN 40 17.104 -4.245 -4.002 329 H THR 41 HN THR 41 13.856 -2.771 -6.148 330 HA THR 41 HA THR 41 14.701 -1.485 -3.765 331 HB THR 41 HB THR 41 14.625 0.617 -5.291 332 HG1 THR 41 1HG THR 41 13.206 -0.635 -6.849 333 HG21 THR 41 3HG2 THR 41 16.673 -0.584 -4.705 334 HG22 THR 41 1HG2 THR 41 16.709 -0.066 -6.390 335 HG23 THR 41 2HG2 THR 41 16.366 -1.750 -5.993 336 H TRP 42 HN TRP 42 11.634 -1.709 -5.353 337 HA TRP 42 HA TRP 42 10.466 0.535 -3.971 338 HB2 TRP 42 2HB TRP 42 9.144 -1.760 -5.440 339 HB3 TRP 42 1HB TRP 42 8.332 -0.309 -4.869 340 HD1 TRP 42 1HD TRP 42 11.053 1.442 -6.014 341 HE1 TRP 42 1HE TRP 42 10.964 2.056 -8.516 342 HE3 TRP 42 3HE TRP 42 7.547 -1.948 -7.535 343 HZ2 TRP 42 2HZ TRP 42 9.570 1.207 -10.824 344 HZ3 TRP 42 3HZ TRP 42 6.886 -1.983 -9.904 345 HH2 TRP 42 2HH TRP 42 7.881 -0.437 -11.513 346 H CYS 43 HN CYS 43 10.341 -2.985 -3.740 347 HA CYS 43 HA CYS 43 8.546 -3.130 -1.583 348 HB2 CYS 43 2HB CYS 43 9.064 -5.000 -3.128 349 HB3 CYS 43 1HB CYS 43 10.668 -5.120 -2.417 350 HG CYS 43 HG CYS 43 9.124 -7.243 -1.490 351 H LYS 44 HN LYS 44 11.997 -2.677 -1.735 352 HA LYS 44 HA LYS 44 12.433 -3.144 1.063 353 HB2 LYS 44 2HB LYS 44 14.078 -2.205 -1.242 354 HB3 LYS 44 1HB LYS 44 14.664 -1.938 0.386 355 HG2 LYS 44 2HG LYS 44 14.462 -4.364 0.814 356 HG3 LYS 44 1HG LYS 44 13.993 -4.583 -0.874 357 HD2 LYS 44 2HD LYS 44 16.119 -3.701 -1.615 358 HD3 LYS 44 1HD LYS 44 16.583 -3.344 0.050 359 HE2 LYS 44 2HE LYS 44 16.472 -5.745 0.571 360 HE3 LYS 44 1HE LYS 44 16.068 -6.080 -1.112 361 HZ1 LYS 44 3HZ LYS 44 18.591 -4.870 -0.109 362 HZ2 LYS 44 1HZ LYS 44 18.203 -5.071 -1.745 363 HZ3 LYS 44 2HZ LYS 44 18.404 -6.428 -0.750 364 H GLY 45 HN GLY 45 11.037 -0.630 -0.635 365 HA2 GLY 45 2HA GLY 45 10.421 1.498 -0.005 366 HA3 GLY 45 1HA GLY 45 11.013 1.123 1.607 367 H ILE 46 HN ILE 46 12.904 1.025 -1.364 368 HA ILE 46 HA ILE 46 14.775 2.951 -0.229 369 HB ILE 46 HB ILE 46 14.911 1.398 -2.829 370 HG12 ILE 46 2HG1 ILE 46 16.341 0.931 -0.204 371 HG13 ILE 46 1HG1 ILE 46 14.972 -0.011 -0.786 372 HG21 ILE 46 1HG2 ILE 46 17.274 2.053 -2.870 373 HG22 ILE 46 2HG2 ILE 46 17.027 3.022 -1.419 374 HG23 ILE 46 3HG2 ILE 46 16.215 3.462 -2.920 375 HD11 ILE 46 3HD1 ILE 46 17.704 0.168 -2.032 376 HD12 ILE 46 1HD1 ILE 46 16.332 -0.675 -2.750 377 HD13 ILE 46 2HD1 ILE 46 17.001 -1.224 -1.212 378 H ALA 47 HN ALA 47 12.554 2.574 -2.937 379 HA ALA 47 HA ALA 47 12.395 5.459 -3.219 380 HB1 ALA 47 1HB ALA 47 14.214 4.871 -4.746 381 HB2 ALA 47 2HB ALA 47 12.791 5.419 -5.631 382 HB3 ALA 47 3HB ALA 47 13.170 3.698 -5.549 383 H ILE 48 HN ILE 48 10.472 6.133 -4.127 384 HA ILE 48 HA ILE 48 8.452 4.041 -4.474 385 HB ILE 48 HB ILE 48 8.161 7.012 -3.997 386 HG12 ILE 48 2HG1 ILE 48 7.333 4.656 -2.289 387 HG13 ILE 48 1HG1 ILE 48 8.811 5.581 -2.056 388 HG21 ILE 48 1HG2 ILE 48 6.378 6.307 -5.470 389 HG22 ILE 48 2HG2 ILE 48 5.729 6.571 -3.852 390 HG23 ILE 48 3HG2 ILE 48 6.017 4.930 -4.429 391 HD11 ILE 48 3HD1 ILE 48 7.486 7.581 -1.607 392 HD12 ILE 48 1HD1 ILE 48 7.079 6.270 -0.502 393 HD13 ILE 48 2HD1 ILE 48 6.006 6.653 -1.849 394 HA PRO 49 HA PRO 49 8.809 4.672 -8.852 395 HB2 PRO 49 2HB PRO 49 6.640 3.225 -9.589 396 HB3 PRO 49 1HB PRO 49 8.145 2.482 -9.038 397 HG2 PRO 49 2HG PRO 49 5.631 3.016 -7.487 398 HG3 PRO 49 1HG PRO 49 6.621 1.543 -7.538 399 HD2 PRO 49 2HD PRO 49 6.834 3.322 -5.521 400 HD3 PRO 49 1HD PRO 49 8.240 2.429 -6.140 401 H ARG 50 HN ARG 50 7.317 5.304 -10.681 402 HA ARG 50 HA ARG 50 5.914 7.689 -9.944 403 HB2 ARG 50 2HB ARG 50 7.316 7.351 -12.020 404 HB3 ARG 50 1HB ARG 50 6.009 6.361 -12.651 405 HG2 ARG 50 2HG ARG 50 4.568 8.176 -12.855 406 HG3 ARG 50 1HG ARG 50 5.519 9.174 -11.748 407 HD2 ARG 50 2HD ARG 50 6.348 8.272 -14.507 408 HD3 ARG 50 1HD ARG 50 5.836 9.900 -14.051 409 HE ARG 50 HE ARG 50 7.943 9.305 -12.383 410 HH11 ARG 50 1HH1 ARG 50 7.459 9.489 -15.842 411 HH12 ARG 50 2HH1 ARG 50 9.091 9.962 -16.182 412 HH21 ARG 50 1HH2 ARG 50 10.101 9.909 -12.818 413 HH22 ARG 50 2HH2 ARG 50 10.605 10.184 -14.461 414 H MET 51 HN MET 51 3.701 8.144 -10.465 415 HA MET 51 HA MET 51 1.928 6.428 -9.266 416 HB2 MET 51 2HB MET 51 1.342 8.583 -11.294 417 HB3 MET 51 1HB MET 51 0.126 7.806 -10.293 418 HG2 MET 51 2HG MET 51 0.649 9.882 -9.291 419 HG3 MET 51 1HG MET 51 1.370 8.624 -8.290 420 HE1 MET 51 3HE MET 51 3.937 11.542 -7.889 421 HE2 MET 51 1HE MET 51 2.912 10.373 -7.056 422 HE3 MET 51 2HE MET 51 2.180 11.668 -7.999 423 H GLY 52 HN GLY 52 2.849 6.508 -12.632 424 HA2 GLY 52 2HA GLY 52 0.777 5.132 -13.840 425 HA3 GLY 52 1HA GLY 52 2.454 5.037 -14.346 426 H LYS 53 HN LYS 53 3.633 3.715 -12.233 427 HA LYS 53 HA LYS 53 2.504 1.064 -12.625 428 HB2 LYS 53 2HB LYS 53 5.153 2.140 -11.904 429 HB3 LYS 53 1HB LYS 53 4.728 0.611 -11.148 430 HG2 LYS 53 2HG LYS 53 5.971 0.278 -13.220 431 HG3 LYS 53 1HG LYS 53 4.342 -0.388 -13.329 432 HD2 LYS 53 2HD LYS 53 3.622 1.648 -14.528 433 HD3 LYS 53 1HD LYS 53 5.282 2.245 -14.465 434 HE2 LYS 53 2HE LYS 53 4.877 1.261 -16.625 435 HE3 LYS 53 1HE LYS 53 6.012 0.253 -15.729 436 HZ1 LYS 53 3HZ LYS 53 3.100 -0.272 -16.054 437 HZ2 LYS 53 1HZ LYS 53 4.182 -1.242 -15.183 438 HZ3 LYS 53 2HZ LYS 53 4.355 -1.085 -16.859 439 H VAL 54 HN VAL 54 2.769 3.456 -10.137 440 HA VAL 54 HA VAL 54 2.303 1.823 -7.888 441 HB VAL 54 HB VAL 54 1.448 4.693 -8.358 442 HG11 VAL 54 1HG1 VAL 54 1.274 4.864 -5.922 443 HG12 VAL 54 2HG1 VAL 54 1.643 3.145 -5.772 444 HG13 VAL 54 3HG1 VAL 54 0.151 3.661 -6.559 445 HG21 VAL 54 3HG2 VAL 54 3.863 4.362 -8.511 446 HG22 VAL 54 1HG2 VAL 54 3.858 3.557 -6.942 447 HG23 VAL 54 2HG2 VAL 54 3.439 5.266 -7.057 448 H GLN 55 HN GLN 55 0.085 3.467 -10.113 449 HA GLN 55 HA GLN 55 -2.303 2.638 -8.855 450 HB2 GLN 55 2HB GLN 55 -2.033 4.469 -10.598 451 HB3 GLN 55 1HB GLN 55 -1.970 3.191 -11.804 452 HG2 GLN 55 2HG GLN 55 -4.193 4.062 -11.725 453 HG3 GLN 55 1HG GLN 55 -4.207 2.436 -11.047 454 HE21 GLN 55 1HE2 GLN 55 -6.055 2.747 -9.851 455 HE22 GLN 55 2HE2 GLN 55 -6.108 3.780 -8.460 456 H ALA 56 HN ALA 56 -0.179 1.143 -11.193 457 HA ALA 56 HA ALA 56 -1.878 -0.981 -11.964 458 HB1 ALA 56 1HB ALA 56 0.124 -2.060 -12.800 459 HB2 ALA 56 2HB ALA 56 1.135 -0.937 -11.891 460 HB3 ALA 56 3HB ALA 56 0.137 -0.347 -13.219 461 H LEU 57 HN LEU 57 0.570 -0.667 -9.422 462 HA LEU 57 HA LEU 57 0.432 -3.254 -8.370 463 HB2 LEU 57 2HB LEU 57 1.027 -0.594 -7.086 464 HB3 LEU 57 1HB LEU 57 1.152 -2.109 -6.219 465 HG LEU 57 HG LEU 57 2.727 -1.508 -8.718 466 HD11 LEU 57 1HD1 LEU 57 4.628 -1.108 -7.214 467 HD12 LEU 57 2HD1 LEU 57 3.541 -1.211 -5.829 468 HD13 LEU 57 3HD1 LEU 57 3.351 0.090 -7.004 469 HD21 LEU 57 3HD2 LEU 57 4.101 -3.378 -7.962 470 HD22 LEU 57 1HD2 LEU 57 2.427 -3.875 -8.210 471 HD23 LEU 57 2HD2 LEU 57 3.035 -3.609 -6.576 472 H ALA 58 HN ALA 58 -1.338 -0.321 -7.419 473 HA ALA 58 HA ALA 58 -2.880 -1.505 -5.396 474 HB1 ALA 58 1HB ALA 58 -2.608 0.910 -5.648 475 HB2 ALA 58 2HB ALA 58 -4.312 0.460 -5.582 476 HB3 ALA 58 3HB ALA 58 -3.565 0.866 -7.126 477 H ASP 59 HN ASP 59 -3.466 -1.146 -8.850 478 HA ASP 59 HA ASP 59 -6.154 -2.062 -8.803 479 HB2 ASP 59 2HB ASP 59 -5.176 -0.723 -10.650 480 HB3 ASP 59 1HB ASP 59 -4.194 -2.110 -11.103 481 H TYR 60 HN TYR 60 -3.047 -3.618 -9.217 482 HA TYR 60 HA TYR 60 -3.916 -6.145 -10.070 483 HB2 TYR 60 2HB TYR 60 -1.562 -5.358 -10.123 484 HB3 TYR 60 1HB TYR 60 -1.499 -5.479 -8.371 485 HD1 TYR 60 1HD TYR 60 -2.280 -7.577 -11.363 486 HD2 TYR 60 2HD TYR 60 -0.661 -7.417 -7.433 487 HE1 TYR 60 1HE TYR 60 -1.575 -9.924 -11.564 488 HE2 TYR 60 2HE TYR 60 0.047 -9.765 -7.621 489 HH TYR 60 HH TYR 60 0.126 -11.425 -10.560 490 H PHE 61 HN PHE 61 -3.531 -4.773 -6.848 491 HA PHE 61 HA PHE 61 -4.362 -7.272 -5.606 492 HB2 PHE 61 2HB PHE 61 -3.562 -4.605 -4.437 493 HB3 PHE 61 1HB PHE 61 -4.056 -5.989 -3.476 494 HD1 PHE 61 2HD PHE 61 -2.722 -8.218 -4.012 495 HD2 PHE 61 1HD PHE 61 -1.319 -4.277 -4.795 496 HE1 PHE 61 2HE PHE 61 -0.405 -9.046 -4.002 497 HE2 PHE 61 1HE PHE 61 1.000 -5.098 -4.791 498 HZ PHE 61 HZ PHE 61 1.460 -7.485 -4.391 499 H ASN 62 HN ASN 62 -5.942 -4.987 -7.171 500 HA ASN 62 HA ASN 62 -7.984 -4.049 -7.199 501 HB2 ASN 62 2HB ASN 62 -8.592 -6.539 -5.607 502 HB3 ASN 62 1HB ASN 62 -9.833 -5.438 -6.200 503 HD21 ASN 62 1HD2 ASN 62 -7.620 -7.934 -6.996 504 HD22 ASN 62 2HD2 ASN 62 -8.059 -8.092 -8.667 505 H ILE 63 HN ILE 63 -6.400 -2.812 -5.467 506 HA ILE 63 HA ILE 63 -8.261 -2.048 -3.312 507 HB ILE 63 HB ILE 63 -6.274 -1.255 -2.035 508 HG12 ILE 63 2HG1 ILE 63 -4.737 -2.746 -4.177 509 HG13 ILE 63 1HG1 ILE 63 -4.698 -1.012 -3.891 510 HG21 ILE 63 1HG2 ILE 63 -6.252 -4.196 -2.695 511 HG22 ILE 63 2HG2 ILE 63 -7.321 -3.406 -1.538 512 HG23 ILE 63 3HG2 ILE 63 -5.583 -3.454 -1.241 513 HD11 ILE 63 3HD1 ILE 63 -3.732 -3.129 -1.986 514 HD12 ILE 63 1HD1 ILE 63 -3.669 -1.387 -1.719 515 HD13 ILE 63 2HD1 ILE 63 -2.717 -2.116 -3.015 516 H ASN 64 HN ASN 64 -7.206 0.331 -2.558 517 HA ASN 64 HA ASN 64 -7.406 1.908 -5.031 518 HB2 ASN 64 2HB ASN 64 -7.791 2.722 -2.137 519 HB3 ASN 64 1HB ASN 64 -7.920 3.812 -3.512 520 HD21 ASN 64 1HD2 ASN 64 -9.692 3.657 -4.879 521 HD22 ASN 64 2HD2 ASN 64 -11.116 2.768 -4.451 522 H LYS 65 HN LYS 65 -5.981 3.816 -5.218 523 HA LYS 65 HA LYS 65 -3.280 3.220 -4.788 524 HB2 LYS 65 2HB LYS 65 -2.808 5.516 -5.428 525 HB3 LYS 65 1HB LYS 65 -4.088 4.877 -6.447 526 HG2 LYS 65 2HG LYS 65 -5.751 6.105 -5.239 527 HG3 LYS 65 1HG LYS 65 -4.566 6.615 -4.037 528 HD2 LYS 65 2HD LYS 65 -4.959 8.447 -5.532 529 HD3 LYS 65 1HD LYS 65 -3.343 7.815 -5.843 530 HE2 LYS 65 2HE LYS 65 -4.200 6.581 -7.775 531 HE3 LYS 65 1HE LYS 65 -5.818 7.208 -7.460 532 HZ1 LYS 65 3HZ LYS 65 -4.862 9.475 -7.744 533 HZ2 LYS 65 1HZ LYS 65 -4.832 8.535 -9.155 534 HZ3 LYS 65 2HZ LYS 65 -3.413 8.762 -8.256 535 H SER 66 HN SER 66 -5.651 4.769 -2.809 536 HA SER 66 HA SER 66 -4.050 6.137 -0.983 537 HB2 SER 66 2HB SER 66 -6.657 4.772 -0.302 538 HB3 SER 66 1HB SER 66 -6.008 6.273 0.360 539 HG SER 66 HG SER 66 -6.661 7.348 -1.359 540 H ASP 67 HN ASP 67 -4.861 2.740 -1.237 541 HA ASP 67 HA ASP 67 -4.199 1.955 1.390 542 HB2 ASP 67 2HB ASP 67 -4.245 0.467 -1.233 543 HB3 ASP 67 1HB ASP 67 -3.752 -0.317 0.262 544 H LEU 68 HN LEU 68 -2.273 2.680 -1.401 545 HA LEU 68 HA LEU 68 0.140 1.632 -0.140 546 HB2 LEU 68 2HB LEU 68 -0.294 2.852 -2.865 547 HB3 LEU 68 1HB LEU 68 1.225 2.197 -2.287 548 HG LEU 68 HG LEU 68 -1.318 0.623 -2.720 549 HD11 LEU 68 1HD1 LEU 68 1.272 0.703 -4.263 550 HD12 LEU 68 2HD1 LEU 68 -0.296 1.300 -4.811 551 HD13 LEU 68 3HD1 LEU 68 -0.052 -0.428 -4.546 552 HD21 LEU 68 3HD2 LEU 68 0.041 -1.341 -2.248 553 HD22 LEU 68 1HD2 LEU 68 0.032 -0.247 -0.862 554 HD23 LEU 68 2HD2 LEU 68 1.439 -0.313 -1.925 555 H ILE 69 HN ILE 69 -1.545 4.600 -0.529 556 HA ILE 69 HA ILE 69 0.906 6.178 -0.240 557 HB ILE 69 HB ILE 69 -1.889 7.252 -0.643 558 HG12 ILE 69 2HG1 ILE 69 0.238 6.639 -2.706 559 HG13 ILE 69 1HG1 ILE 69 -1.287 5.792 -2.520 560 HG21 ILE 69 1HG2 ILE 69 -0.318 8.867 0.251 561 HG22 ILE 69 2HG2 ILE 69 -0.670 9.253 -1.433 562 HG23 ILE 69 3HG2 ILE 69 0.851 8.467 -1.008 563 HD11 ILE 69 3HD1 ILE 69 -2.493 7.825 -3.105 564 HD12 ILE 69 1HD1 ILE 69 -1.367 7.349 -4.377 565 HD13 ILE 69 2HD1 ILE 69 -0.964 8.679 -3.294 566 H GLU 70 HN GLU 70 -2.134 5.512 1.459 567 HA GLU 70 HA GLU 70 -1.514 7.386 3.554 568 HB2 GLU 70 2HB GLU 70 -3.741 5.546 2.928 569 HB3 GLU 70 1HB GLU 70 -3.486 5.913 4.617 570 HG2 GLU 70 2HG GLU 70 -5.128 7.404 3.685 571 HG3 GLU 70 1HG GLU 70 -3.683 8.303 4.132 572 H ASP 71 HN ASP 71 -1.342 6.736 5.776 573 HA ASP 71 HA ASP 71 0.693 4.698 6.019 574 HB2 ASP 71 2HB ASP 71 0.998 6.916 7.057 575 HB3 ASP 71 1HB ASP 71 -0.415 6.634 8.066 576 H LYS 72 HN LYS 72 0.624 3.128 7.825 577 HA LYS 72 HA LYS 72 -1.920 1.773 7.702 578 HB2 LYS 72 2HB LYS 72 -0.606 -0.021 9.011 579 HB3 LYS 72 1HB LYS 72 -0.184 0.287 7.337 580 HG2 LYS 72 2HG LYS 72 1.832 0.026 8.552 581 HG3 LYS 72 1HG LYS 72 1.682 1.734 8.149 582 HD2 LYS 72 2HD LYS 72 2.470 1.444 10.435 583 HD3 LYS 72 1HD LYS 72 0.877 2.199 10.415 584 HE2 LYS 72 2HE LYS 72 1.036 0.500 12.162 585 HE3 LYS 72 1HE LYS 72 -0.159 0.059 10.947 586 HZ1 LYS 72 3HZ LYS 72 1.325 -1.778 11.685 587 HZ2 LYS 72 1HZ LYS 72 2.623 -0.976 10.955 588 HZ3 LYS 72 2HZ LYS 72 1.326 -1.520 10.009 589 H LYS 73 HN LYS 73 -1.057 4.169 9.634 590 HA LYS 73 HA LYS 73 -1.922 3.075 12.167 591 HB2 LYS 73 2HB LYS 73 -0.242 4.960 11.787 592 HB3 LYS 73 1HB LYS 73 -1.623 5.990 11.456 593 HG2 LYS 73 2HG LYS 73 -2.482 5.631 13.662 594 HG3 LYS 73 1HG LYS 73 -1.218 4.457 14.014 595 HD2 LYS 73 2HD LYS 73 -0.344 6.318 15.029 596 HD3 LYS 73 1HD LYS 73 0.372 6.462 13.426 597 HE2 LYS 73 2HE LYS 73 -2.139 7.870 14.326 598 HE3 LYS 73 1HE LYS 73 -0.535 8.593 14.311 599 HZ1 LYS 73 3HZ LYS 73 -1.601 9.281 12.354 600 HZ2 LYS 73 1HZ LYS 73 -2.155 7.722 11.990 601 HZ3 LYS 73 2HZ LYS 73 -0.503 8.081 11.867 602 H LEU 74 HN LEU 74 -3.740 2.590 10.221 603 HA LEU 74 HA LEU 74 -5.818 4.552 10.160 604 HB2 LEU 74 2HB LEU 74 -5.681 1.715 9.147 605 HB3 LEU 74 1HB LEU 74 -7.043 2.783 8.906 606 HG LEU 74 HG LEU 74 -4.257 3.262 7.855 607 HD11 LEU 74 1HD1 LEU 74 -5.209 2.784 5.673 608 HD12 LEU 74 2HD1 LEU 74 -6.777 2.453 6.410 609 HD13 LEU 74 3HD1 LEU 74 -5.402 1.399 6.748 610 HD21 LEU 74 3HD2 LEU 74 -5.292 5.095 6.597 611 HD22 LEU 74 1HD2 LEU 74 -5.430 5.344 8.339 612 HD23 LEU 74 2HD2 LEU 74 -6.824 4.788 7.413 613 H ASN 75 HN ASN 75 -6.102 4.674 12.471 614 HA ASN 75 HA ASN 75 -7.993 2.619 13.385 615 HB2 ASN 75 2HB ASN 75 -5.961 2.895 14.844 616 HB3 ASN 75 1HB ASN 75 -6.460 4.558 15.139 617 HD21 ASN 75 1HD2 ASN 75 -7.338 1.197 15.558 618 HD22 ASN 75 2HD2 ASN 75 -8.396 1.442 16.909 619 H ILE 76 HN ILE 76 -10.015 3.294 13.933 620 HA ILE 76 HA ILE 76 -10.965 5.578 12.629 621 HB ILE 76 HB ILE 76 -12.356 4.012 14.789 622 HG12 ILE 76 2HG1 ILE 76 -12.356 3.760 11.776 623 HG13 ILE 76 1HG1 ILE 76 -11.794 2.565 12.939 624 HG21 ILE 76 1HG2 ILE 76 -13.346 6.214 14.480 625 HG22 ILE 76 2HG2 ILE 76 -14.421 4.954 13.877 626 HG23 ILE 76 3HG2 ILE 76 -13.477 5.923 12.745 627 HD11 ILE 76 3HD1 ILE 76 -14.642 3.470 12.593 628 HD12 ILE 76 1HD1 ILE 76 -14.070 2.250 13.731 629 HD13 ILE 76 2HD1 ILE 76 -13.950 1.962 11.996 630 H ASP 77 HN ASP 77 -10.943 7.562 13.141 631 HA ASP 77 HA ASP 77 -11.306 8.529 15.819 632 HB2 ASP 77 2HB ASP 77 -8.782 8.178 15.480 633 HB3 ASP 77 1HB ASP 77 -8.882 9.465 14.280 634 H THR 78 HN THR 78 -12.774 10.008 15.563 635 HA THR 78 HA THR 78 -14.006 10.555 13.210 636 HB THR 78 HB THR 78 -14.020 12.523 15.467 637 HG1 THR 78 1HG THR 78 -15.509 10.086 15.253 638 HG21 THR 78 3HG2 THR 78 -15.278 13.136 13.452 639 HG22 THR 78 1HG2 THR 78 -16.358 12.815 14.810 640 HG23 THR 78 2HG2 THR 78 -16.155 11.607 13.541 641 H VAL 79 HN VAL 79 -13.111 11.332 11.497 642 HA VAL 79 HA VAL 79 -12.235 14.130 11.507 643 HB VAL 79 HB VAL 79 -10.901 11.960 9.853 644 HG11 VAL 79 1HG1 VAL 79 -10.319 14.916 10.026 645 HG12 VAL 79 2HG1 VAL 79 -11.088 14.092 8.670 646 HG13 VAL 79 3HG1 VAL 79 -9.411 13.734 9.083 647 HG21 VAL 79 3HG2 VAL 79 -10.160 11.869 12.170 648 HG22 VAL 79 1HG2 VAL 79 -9.795 13.595 12.133 649 HG23 VAL 79 2HG2 VAL 79 -8.874 12.479 11.126 650 HA PRO 80 HA PRO 80 -16.206 13.493 9.360 651 HB2 PRO 80 2HB PRO 80 -15.519 16.350 8.774 652 HB3 PRO 80 1HB PRO 80 -17.078 15.635 9.209 653 HG2 PRO 80 2HG PRO 80 -15.617 16.875 11.047 654 HG3 PRO 80 1HG PRO 80 -16.493 15.384 11.439 655 HD2 PRO 80 2HD PRO 80 -13.586 15.826 11.065 656 HD3 PRO 80 1HD PRO 80 -14.429 14.614 12.049 657 H ILE 81 HN ILE 81 -15.271 12.111 7.786 658 HA ILE 81 HA ILE 81 -15.295 13.234 5.110 659 HB ILE 81 HB ILE 81 -12.923 11.680 6.187 660 HG12 ILE 81 2HG1 ILE 81 -12.844 14.150 6.476 661 HG13 ILE 81 1HG1 ILE 81 -11.567 13.532 5.432 662 HG21 ILE 81 1HG2 ILE 81 -13.564 12.313 3.315 663 HG22 ILE 81 2HG2 ILE 81 -13.551 10.714 4.058 664 HG23 ILE 81 3HG2 ILE 81 -12.049 11.623 3.896 665 HD11 ILE 81 3HD1 ILE 81 -12.494 15.590 4.555 666 HD12 ILE 81 1HD1 ILE 81 -14.105 14.876 4.521 667 HD13 ILE 81 2HD1 ILE 81 -12.837 14.248 3.468 668 H GLU 82 HN GLU 82 -15.968 11.625 3.594 669 HA GLU 82 HA GLU 82 -17.358 9.415 4.797 670 HB2 GLU 82 2HB GLU 82 -18.249 10.714 2.859 671 HB3 GLU 82 1HB GLU 82 -16.976 10.020 1.865 672 HG2 GLU 82 2HG GLU 82 -17.864 7.789 2.270 673 HG3 GLU 82 1HG GLU 82 -19.136 8.474 3.280 674 H SER 83 HN SER 83 -15.794 8.102 5.669 675 HA SER 83 HA SER 83 -13.919 6.827 3.819 676 HB2 SER 83 2HB SER 83 -12.959 5.874 5.980 677 HB3 SER 83 1HB SER 83 -12.813 7.620 5.776 678 HG SER 83 HG SER 83 -14.762 6.240 7.318 679 H GLY 84 HN GLY 84 -14.871 5.164 2.792 680 HA2 GLY 84 2HA GLY 84 -16.932 3.578 4.062 681 HA3 GLY 84 1HA GLY 84 -16.342 3.408 2.416 682 H TYR 85 HN TYR 85 -14.896 3.150 5.649 683 HA TYR 85 HA TYR 85 -14.538 0.334 5.427 684 HB2 TYR 85 2HB TYR 85 -12.001 0.463 5.710 685 HB3 TYR 85 1HB TYR 85 -12.638 0.743 4.099 686 HD1 TYR 85 1HD TYR 85 -12.568 2.991 3.108 687 HD2 TYR 85 2HD TYR 85 -10.876 2.215 6.935 688 HE1 TYR 85 1HE TYR 85 -11.311 5.098 2.972 689 HE2 TYR 85 2HE TYR 85 -9.621 4.326 6.813 690 HH TYR 85 HH TYR 85 -8.778 5.874 5.074 691 H THR 86 HN THR 86 -14.933 -0.383 7.374 692 HA THR 86 HA THR 86 -14.475 1.399 9.656 693 HB THR 86 HB THR 86 -16.227 -1.064 9.554 694 HG1 THR 86 1HG THR 86 -17.229 1.575 9.512 695 HG21 THR 86 3HG2 THR 86 -17.258 -0.104 11.555 696 HG22 THR 86 1HG2 THR 86 -16.134 1.255 11.491 697 HG23 THR 86 2HG2 THR 86 -15.533 -0.372 11.804 698 H LEU 87 HN LEU 87 -12.645 1.002 10.714 699 HA LEU 87 HA LEU 87 -11.485 -1.644 10.820 700 HB2 LEU 87 2HB LEU 87 -10.658 0.978 12.070 701 HB3 LEU 87 1HB LEU 87 -9.780 -0.518 12.309 702 HG LEU 87 HG LEU 87 -8.594 0.674 10.661 703 HD11 LEU 87 1HD1 LEU 87 -10.315 -1.359 9.261 704 HD12 LEU 87 2HD1 LEU 87 -8.817 -1.675 10.140 705 HD13 LEU 87 3HD1 LEU 87 -8.786 -0.720 8.657 706 HD21 LEU 87 3HD2 LEU 87 -9.614 1.568 8.618 707 HD22 LEU 87 1HD2 LEU 87 -10.266 2.324 10.071 708 HD23 LEU 87 2HD2 LEU 87 -11.204 1.098 9.217 709 H GLU 88 HN GLU 88 -12.700 0.709 13.173 710 HA GLU 88 HA GLU 88 -13.823 0.514 15.129 711 HB2 GLU 88 2HB GLU 88 -15.152 -1.224 13.905 712 HB3 GLU 88 1HB GLU 88 -14.049 -2.441 14.532 713 HG2 GLU 88 2HG GLU 88 -14.689 -1.592 16.846 714 HG3 GLU 88 1HG GLU 88 -16.007 -0.745 16.038 715 H HIS 89 HN HIS 89 -13.454 -0.003 17.303 716 HA HIS 89 HA HIS 89 -12.459 -0.853 19.156 717 HB2 HIS 89 2HB HIS 89 -12.546 -3.046 17.987 718 HB3 HIS 89 1HB HIS 89 -10.958 -2.714 17.309 719 HD1 HIS 89 1HD HIS 89 -9.026 -3.512 18.643 720 HD2 HIS 89 2HD HIS 89 -12.481 -3.194 20.924 721 HE1 HIS 89 1HE HIS 89 -8.446 -4.494 20.887 722 HE2 HIS 89 2HE HIS 89 -10.625 -4.499 22.161 723 H HIS 90 HN HIS 90 -11.179 0.545 20.123 724 HA HIS 90 HA HIS 90 -8.943 1.712 18.724 725 HB2 HIS 90 2HB HIS 90 -10.445 3.033 20.219 726 HB3 HIS 90 1HB HIS 90 -9.804 2.138 21.592 727 HD1 HIS 90 1HD HIS 90 -8.674 4.566 18.912 728 HD2 HIS 90 2HD HIS 90 -7.485 3.147 22.637 729 HE1 HIS 90 1HE HIS 90 -6.730 6.002 19.590 730 HE2 HIS 90 2HE HIS 90 -5.923 5.025 21.775 731 H HIS 91 HN HIS 91 -9.037 0.360 22.054 732 HA HIS 91 HA HIS 91 -6.975 -1.525 21.405 733 HB2 HIS 91 2HB HIS 91 -5.664 0.584 21.618 734 HB3 HIS 91 1HB HIS 91 -6.232 0.737 23.276 735 HD1 HIS 91 1HD HIS 91 -3.946 0.516 24.375 736 HD2 HIS 91 2HD HIS 91 -4.884 -2.673 21.866 737 HE1 HIS 91 1HE HIS 91 -2.197 -1.234 24.812 738 HE2 HIS 91 2HE HIS 91 -2.888 -3.219 23.424 739 H HIS 92 HN HIS 92 -7.051 -0.084 24.566 740 HA HIS 92 HA HIS 92 -8.936 -1.766 25.833 741 HB2 HIS 92 2HB HIS 92 -6.130 -2.794 25.604 742 HB3 HIS 92 1HB HIS 92 -6.972 -3.017 27.129 743 HD1 HIS 92 1HD HIS 92 -6.192 -4.887 24.325 744 HD2 HIS 92 2HD HIS 92 -9.767 -4.218 26.343 745 HE1 HIS 92 1HE HIS 92 -7.669 -6.830 23.745 746 HE2 HIS 92 2HE HIS 92 -9.764 -6.490 25.094 747 H HIS 93 HN HIS 93 -7.653 -2.054 28.322 748 HA HIS 93 HA HIS 93 -6.897 0.716 28.948 749 HB2 HIS 93 2HB HIS 93 -7.507 0.273 31.262 750 HB3 HIS 93 1HB HIS 93 -8.854 -0.091 30.198 751 HD1 HIS 93 1HD HIS 93 -9.749 -1.475 32.285 752 HD2 HIS 93 2HD HIS 93 -6.335 -2.996 30.460 753 HE1 HIS 93 1HE HIS 93 -9.517 -3.824 33.137 754 HE2 HIS 93 2HE HIS 93 -7.323 -4.637 32.197 755 H HIS 94 HN HIS 94 -5.484 0.489 31.226 756 HA HIS 94 HA HIS 94 -3.028 -0.742 30.250 757 HB2 HIS 94 2HB HIS 94 -3.516 1.009 32.672 758 HB3 HIS 94 1HB HIS 94 -1.939 0.485 32.092 759 HD1 HIS 94 1HD HIS 94 -1.085 1.563 29.850 760 HD2 HIS 94 2HD HIS 94 -4.621 3.177 31.341 761 HE1 HIS 94 1HE HIS 94 -1.425 3.729 28.613 762 HE2 HIS 94 2HE HIS 94 -3.622 4.634 29.450 Start of MODEL 19 1 H1 MET 1 H1 MET 1 15.930 11.727 -0.400 2 H2 MET 1 H2 MET 1 15.934 12.954 0.767 3 H3 MET 1 H3 MET 1 14.668 11.821 0.731 4 HA MET 1 HA MET 1 16.127 10.060 1.342 5 HB2 MET 1 2HB MET 1 18.119 11.074 0.181 6 HB3 MET 1 1HB MET 1 18.298 12.153 1.555 7 HG2 MET 1 2HG MET 1 19.826 10.316 1.768 8 HG3 MET 1 1HG MET 1 18.589 10.199 3.021 9 HE1 MET 1 2HE MET 1 20.521 7.809 2.273 10 HE2 MET 1 3HE MET 1 19.401 6.443 2.217 11 HE3 MET 1 1HE MET 1 19.253 7.653 3.490 12 H VAL 2 HN VAL 2 15.730 13.339 2.472 13 HA VAL 2 HA VAL 2 16.213 12.702 5.238 14 HB VAL 2 HB VAL 2 14.865 15.149 4.066 15 HG11 VAL 2 1HG1 VAL 2 16.076 14.680 6.791 16 HG12 VAL 2 2HG1 VAL 2 14.355 14.827 6.432 17 HG13 VAL 2 3HG1 VAL 2 15.425 16.210 6.201 18 HG21 VAL 2 3HG2 VAL 2 17.127 14.900 3.207 19 HG22 VAL 2 1HG2 VAL 2 17.744 14.701 4.849 20 HG23 VAL 2 2HG2 VAL 2 17.044 16.242 4.351 21 H LYS 3 HN LYS 3 13.262 13.961 3.655 22 HA LYS 3 HA LYS 3 11.718 12.449 5.633 23 HB2 LYS 3 2HB LYS 3 9.795 13.914 4.870 24 HB3 LYS 3 1HB LYS 3 11.090 14.711 5.746 25 HG2 LYS 3 2HG LYS 3 12.014 15.493 3.593 26 HG3 LYS 3 1HG LYS 3 10.634 14.764 2.772 27 HD2 LYS 3 2HD LYS 3 10.257 17.138 3.104 28 HD3 LYS 3 1HD LYS 3 9.121 16.197 4.074 29 HE2 LYS 3 2HE LYS 3 10.557 16.523 6.043 30 HE3 LYS 3 1HE LYS 3 11.659 17.493 5.067 31 HZ1 LYS 3 3HZ LYS 3 10.155 18.875 6.359 32 HZ2 LYS 3 1HZ LYS 3 8.812 18.148 5.620 33 HZ3 LYS 3 2HZ LYS 3 9.884 19.089 4.701 34 H ASP 4 HN ASP 4 12.230 10.534 4.454 35 HA ASP 4 HA ASP 4 10.457 10.112 2.139 36 HB2 ASP 4 2HB ASP 4 13.130 8.894 2.823 37 HB3 ASP 4 1HB ASP 4 12.028 8.120 1.688 38 H LYS 5 HN LYS 5 9.943 9.958 5.045 39 HA LYS 5 HA LYS 5 9.769 7.306 5.929 40 HB2 LYS 5 2HB LYS 5 9.534 9.343 7.346 41 HB3 LYS 5 1HB LYS 5 7.949 9.615 6.638 42 HG2 LYS 5 2HG LYS 5 7.108 7.592 7.602 43 HG3 LYS 5 1HG LYS 5 8.715 7.144 8.173 44 HD2 LYS 5 2HD LYS 5 7.330 9.669 9.047 45 HD3 LYS 5 1HD LYS 5 7.117 8.134 9.887 46 HE2 LYS 5 2HE LYS 5 8.802 9.293 11.066 47 HE3 LYS 5 1HE LYS 5 9.633 8.060 10.124 48 HZ1 LYS 5 3HZ LYS 5 10.246 9.745 8.510 49 HZ2 LYS 5 1HZ LYS 5 10.774 10.201 10.055 50 HZ3 LYS 5 2HZ LYS 5 9.403 10.934 9.379 51 H GLN 6 HN GLN 6 7.837 9.149 3.731 52 HA GLN 6 HA GLN 6 5.471 7.661 3.667 53 HB2 GLN 6 2HB GLN 6 6.375 9.840 2.365 54 HB3 GLN 6 1HB GLN 6 6.580 8.646 1.094 55 HG2 GLN 6 2HG GLN 6 4.462 9.668 0.795 56 HG3 GLN 6 1HG GLN 6 4.180 8.031 1.386 57 HE21 GLN 6 1HE2 GLN 6 3.287 7.739 3.418 58 HE22 GLN 6 2HE2 GLN 6 2.622 9.039 4.335 59 H LYS 7 HN LYS 7 8.631 7.071 2.246 60 HA LYS 7 HA LYS 7 7.805 4.967 0.507 61 HB2 LYS 7 2HB LYS 7 10.522 5.767 1.553 62 HB3 LYS 7 1HB LYS 7 10.276 4.468 0.393 63 HG2 LYS 7 2HG LYS 7 9.243 6.099 -1.153 64 HG3 LYS 7 1HG LYS 7 9.619 7.382 -0.001 65 HD2 LYS 7 2HD LYS 7 11.978 6.975 -0.234 66 HD3 LYS 7 1HD LYS 7 11.679 5.550 -1.230 67 HE2 LYS 7 2HE LYS 7 12.326 7.389 -2.644 68 HE3 LYS 7 1HE LYS 7 10.632 7.001 -2.931 69 HZ1 LYS 7 3HZ LYS 7 11.584 9.202 -1.176 70 HZ2 LYS 7 1HZ LYS 7 9.974 8.878 -1.610 71 HZ3 LYS 7 2HZ LYS 7 11.078 9.404 -2.783 72 H ALA 8 HN ALA 8 8.813 5.126 3.841 73 HA ALA 8 HA ALA 8 9.290 2.338 4.186 74 HB1 ALA 8 1HB ALA 8 10.173 4.021 5.744 75 HB2 ALA 8 2HB ALA 8 9.199 2.811 6.577 76 HB3 ALA 8 3HB ALA 8 8.530 4.409 6.251 77 H ILE 9 HN ILE 9 6.494 4.445 4.610 78 HA ILE 9 HA ILE 9 4.725 2.450 5.564 79 HB ILE 9 HB ILE 9 4.054 4.961 4.017 80 HG12 ILE 9 2HG1 ILE 9 4.219 4.505 7.007 81 HG13 ILE 9 1HG1 ILE 9 5.389 5.405 6.051 82 HG21 ILE 9 1HG2 ILE 9 2.355 3.251 5.829 83 HG22 ILE 9 2HG2 ILE 9 2.209 3.382 4.075 84 HG23 ILE 9 3HG2 ILE 9 1.861 4.778 5.095 85 HD11 ILE 9 3HD1 ILE 9 3.695 7.059 5.503 86 HD12 ILE 9 1HD1 ILE 9 3.867 6.883 7.248 87 HD13 ILE 9 2HD1 ILE 9 2.495 6.147 6.419 88 H PHE 10 HN PHE 10 5.421 3.739 2.353 89 HA PHE 10 HA PHE 10 3.599 2.316 0.829 90 HB2 PHE 10 2HB PHE 10 4.927 4.121 -0.096 91 HB3 PHE 10 1HB PHE 10 6.410 3.211 0.158 92 HD1 PHE 10 1HD PHE 10 3.262 3.289 -1.787 93 HD2 PHE 10 2HD PHE 10 7.205 1.719 -1.463 94 HE1 PHE 10 1HE PHE 10 3.084 2.371 -4.063 95 HE2 PHE 10 2HE PHE 10 7.029 0.797 -3.736 96 HZ PHE 10 HZ PHE 10 4.967 1.124 -5.038 97 H SER 11 HN SER 11 6.949 1.413 1.608 98 HA SER 11 HA SER 11 6.865 -1.039 0.226 99 HB2 SER 11 2HB SER 11 8.927 -1.551 1.640 100 HB3 SER 11 1HB SER 11 9.000 -0.112 0.625 101 HG SER 11 HG SER 11 8.817 1.161 2.372 102 H GLU 12 HN GLU 12 6.420 -0.275 3.681 103 HA GLU 12 HA GLU 12 6.280 -2.927 4.569 104 HB2 GLU 12 2HB GLU 12 6.508 -0.821 5.974 105 HB3 GLU 12 1HB GLU 12 4.766 -0.634 5.813 106 HG2 GLU 12 2HG GLU 12 5.342 -1.693 7.916 107 HG3 GLU 12 1HG GLU 12 4.427 -2.796 6.887 108 H ASN 13 HN ASN 13 3.694 -0.749 3.460 109 HA ASN 13 HA ASN 13 1.561 -2.553 3.891 110 HB2 ASN 13 2HB ASN 13 1.923 -0.156 2.129 111 HB3 ASN 13 1HB ASN 13 0.506 -1.177 1.920 112 HD21 ASN 13 1HD2 ASN 13 2.122 1.103 3.948 113 HD22 ASN 13 2HD2 ASN 13 0.810 1.363 5.043 114 H LEU 14 HN LEU 14 3.655 -1.964 1.113 115 HA LEU 14 HA LEU 14 2.397 -3.672 -0.708 116 HB2 LEU 14 2HB LEU 14 4.172 -1.966 -1.202 117 HB3 LEU 14 1HB LEU 14 5.352 -3.071 -0.525 118 HG LEU 14 HG LEU 14 4.777 -4.719 -2.285 119 HD11 LEU 14 1HD1 LEU 14 3.461 -3.988 -4.208 120 HD12 LEU 14 2HD1 LEU 14 3.095 -2.473 -3.383 121 HD13 LEU 14 3HD1 LEU 14 2.497 -3.999 -2.732 122 HD21 LEU 14 3HD2 LEU 14 6.665 -3.191 -2.556 123 HD22 LEU 14 1HD2 LEU 14 5.598 -2.003 -3.307 124 HD23 LEU 14 2HD2 LEU 14 5.897 -3.549 -4.104 125 H ASN 15 HN ASN 15 5.156 -4.311 1.470 126 HA ASN 15 HA ASN 15 5.604 -6.980 0.783 127 HB2 ASN 15 2HB ASN 15 6.058 -5.442 3.335 128 HB3 ASN 15 1HB ASN 15 6.434 -7.155 3.234 129 HD21 ASN 15 1HD2 ASN 15 7.305 -3.969 2.244 130 HD22 ASN 15 2HD2 ASN 15 8.825 -4.378 1.526 131 H SER 16 HN SER 16 3.430 -5.621 3.218 132 HA SER 16 HA SER 16 2.677 -8.022 4.426 133 HB2 SER 16 2HB SER 16 1.051 -5.484 4.156 134 HB3 SER 16 1HB SER 16 0.789 -6.764 5.343 135 HG SER 16 HG SER 16 2.813 -4.829 5.207 136 H TYR 17 HN TYR 17 1.231 -6.324 1.654 137 HA TYR 17 HA TYR 17 -0.953 -8.166 1.453 138 HB2 TYR 17 2HB TYR 17 0.116 -6.131 -0.512 139 HB3 TYR 17 1HB TYR 17 -1.344 -7.076 -0.770 140 HD1 TYR 17 1HD TYR 17 -2.229 -6.933 2.204 141 HD2 TYR 17 2HD TYR 17 -0.978 -3.996 -0.606 142 HE1 TYR 17 1HE TYR 17 -3.553 -5.240 3.396 143 HE2 TYR 17 2HE TYR 17 -2.296 -2.290 0.579 144 HH TYR 17 HH TYR 17 -4.460 -2.396 2.148 145 H ILE 18 HN ILE 18 2.179 -7.828 -0.099 146 HA ILE 18 HA ILE 18 1.770 -9.794 -2.096 147 HB ILE 18 HB ILE 18 4.330 -8.725 -0.897 148 HG12 ILE 18 2HG1 ILE 18 2.899 -8.044 -3.478 149 HG13 ILE 18 1HG1 ILE 18 2.911 -7.048 -2.026 150 HG21 ILE 18 1HG2 ILE 18 5.433 -9.589 -2.915 151 HG22 ILE 18 2HG2 ILE 18 3.925 -10.367 -3.392 152 HG23 ILE 18 3HG2 ILE 18 4.755 -10.883 -1.924 153 HD11 ILE 18 3HD1 ILE 18 5.318 -7.783 -3.666 154 HD12 ILE 18 1HD1 ILE 18 5.313 -6.761 -2.228 155 HD13 ILE 18 2HD1 ILE 18 4.478 -6.231 -3.690 156 H ALA 19 HN ALA 19 3.332 -9.925 1.107 157 HA ALA 19 HA ALA 19 4.156 -12.629 0.856 158 HB1 ALA 19 1HB ALA 19 5.203 -11.041 2.408 159 HB2 ALA 19 2HB ALA 19 4.672 -12.513 3.221 160 HB3 ALA 19 3HB ALA 19 3.730 -11.031 3.375 161 H LYS 20 HN LYS 20 1.161 -11.147 1.764 162 HA LYS 20 HA LYS 20 0.145 -13.470 3.148 163 HB2 LYS 20 2HB LYS 20 -0.471 -10.948 3.443 164 HB3 LYS 20 1HB LYS 20 -1.574 -11.248 2.115 165 HG2 LYS 20 2HG LYS 20 -2.776 -12.868 3.353 166 HG3 LYS 20 1HG LYS 20 -1.557 -12.891 4.630 167 HD2 LYS 20 2HD LYS 20 -2.098 -10.539 5.144 168 HD3 LYS 20 1HD LYS 20 -3.360 -10.584 3.911 169 HE2 LYS 20 2HE LYS 20 -4.245 -10.914 6.186 170 HE3 LYS 20 1HE LYS 20 -4.548 -12.293 5.131 171 HZ1 LYS 20 3HZ LYS 20 -3.758 -12.836 7.429 172 HZ2 LYS 20 1HZ LYS 20 -2.251 -12.173 7.015 173 HZ3 LYS 20 2HZ LYS 20 -2.851 -13.531 6.181 174 H SER 21 HN SER 21 0.310 -12.313 -0.058 175 HA SER 21 HA SER 21 -1.853 -13.935 -1.078 176 HB2 SER 21 2HB SER 21 -1.186 -11.748 -2.118 177 HB3 SER 21 1HB SER 21 0.325 -12.503 -2.627 178 HG SER 21 HG SER 21 -2.286 -12.910 -3.553 179 H GLU 22 HN GLU 22 -1.469 -15.593 -2.761 180 HA GLU 22 HA GLU 22 0.479 -17.486 -1.823 181 HB2 GLU 22 2HB GLU 22 -1.833 -18.077 -2.626 182 HB3 GLU 22 1HB GLU 22 -1.300 -17.696 -4.257 183 HG2 GLU 22 2HG GLU 22 0.563 -19.504 -3.100 184 HG3 GLU 22 1HG GLU 22 -1.065 -20.131 -2.844 185 H LYS 23 HN LYS 23 0.131 -15.333 -4.557 186 HA LYS 23 HA LYS 23 2.308 -16.448 -6.048 187 HB2 LYS 23 2HB LYS 23 0.460 -14.135 -6.328 188 HB3 LYS 23 1HB LYS 23 1.974 -14.077 -7.204 189 HG2 LYS 23 2HG LYS 23 0.196 -14.953 -8.602 190 HG3 LYS 23 1HG LYS 23 1.428 -16.184 -8.311 191 HD2 LYS 23 2HD LYS 23 0.000 -17.153 -6.546 192 HD3 LYS 23 1HD LYS 23 -1.240 -15.952 -6.916 193 HE2 LYS 23 2HE LYS 23 -0.158 -17.990 -8.863 194 HE3 LYS 23 1HE LYS 23 -1.677 -18.136 -7.978 195 HZ1 LYS 23 3HZ LYS 23 -1.047 -15.919 -9.851 196 HZ2 LYS 23 1HZ LYS 23 -2.535 -16.222 -9.100 197 HZ3 LYS 23 2HZ LYS 23 -1.939 -17.297 -10.269 198 H THR 24 HN THR 24 4.337 -15.425 -6.446 199 HA THR 24 HA THR 24 5.339 -14.150 -4.035 200 HB THR 24 HB THR 24 7.560 -14.561 -4.908 201 HG1 THR 24 1HG THR 24 6.479 -15.842 -7.196 202 HG21 THR 24 3HG2 THR 24 7.512 -16.998 -4.999 203 HG22 THR 24 1HG2 THR 24 5.780 -16.966 -5.315 204 HG23 THR 24 2HG2 THR 24 6.402 -16.401 -3.767 205 H GLN 25 HN GLN 25 7.051 -12.482 -4.321 206 HA GLN 25 HA GLN 25 6.183 -10.131 -5.497 207 HB2 GLN 25 2HB GLN 25 9.012 -11.028 -4.915 208 HB3 GLN 25 1HB GLN 25 8.530 -9.372 -5.237 209 HG2 GLN 25 2HG GLN 25 7.225 -9.292 -3.233 210 HG3 GLN 25 1HG GLN 25 7.474 -11.015 -2.952 211 HE21 GLN 25 1HE2 GLN 25 8.852 -7.856 -2.776 212 HE22 GLN 25 2HE2 GLN 25 10.247 -8.284 -1.848 213 H LEU 26 HN LEU 26 8.146 -12.715 -6.778 214 HA LEU 26 HA LEU 26 9.020 -11.384 -9.131 215 HB2 LEU 26 2HB LEU 26 9.520 -13.823 -7.875 216 HB3 LEU 26 1HB LEU 26 8.800 -14.265 -9.411 217 HG LEU 26 HG LEU 26 11.216 -12.478 -9.093 218 HD11 LEU 26 1HD1 LEU 26 12.461 -14.393 -10.014 219 HD12 LEU 26 2HD1 LEU 26 11.000 -15.375 -9.895 220 HD13 LEU 26 3HD1 LEU 26 11.755 -14.737 -8.435 221 HD21 LEU 26 3HD2 LEU 26 9.977 -13.698 -11.558 222 HD22 LEU 26 1HD2 LEU 26 11.451 -12.732 -11.505 223 HD23 LEU 26 2HD2 LEU 26 9.900 -11.997 -11.101 224 H GLU 27 HN GLU 27 6.259 -13.485 -8.391 225 HA GLU 27 HA GLU 27 5.254 -13.662 -11.018 226 HB2 GLU 27 2HB GLU 27 4.191 -14.159 -8.296 227 HB3 GLU 27 1HB GLU 27 3.009 -13.884 -9.560 228 HG2 GLU 27 2HG GLU 27 3.329 -16.219 -9.370 229 HG3 GLU 27 1HG GLU 27 4.092 -15.704 -10.872 230 H ILE 28 HN ILE 28 4.457 -11.478 -8.334 231 HA ILE 28 HA ILE 28 2.499 -9.995 -9.703 232 HB ILE 28 HB ILE 28 4.276 -9.102 -7.428 233 HG12 ILE 28 2HG1 ILE 28 1.504 -10.325 -7.432 234 HG13 ILE 28 1HG1 ILE 28 2.982 -11.132 -6.918 235 HG21 ILE 28 1HG2 ILE 28 2.513 -7.458 -6.969 236 HG22 ILE 28 2HG2 ILE 28 1.660 -7.974 -8.424 237 HG23 ILE 28 3HG2 ILE 28 3.244 -7.209 -8.554 238 HD11 ILE 28 3HD1 ILE 28 3.215 -9.540 -5.085 239 HD12 ILE 28 1HD1 ILE 28 1.668 -10.383 -5.020 240 HD13 ILE 28 2HD1 ILE 28 1.742 -8.723 -5.607 241 H ALA 29 HN ALA 29 5.991 -9.452 -9.319 242 HA ALA 29 HA ALA 29 6.137 -6.966 -10.606 243 HB1 ALA 29 1HB ALA 29 8.508 -7.442 -10.912 244 HB2 ALA 29 2HB ALA 29 8.227 -9.144 -10.548 245 HB3 ALA 29 3HB ALA 29 7.979 -7.923 -9.300 246 H LYS 30 HN LYS 30 6.377 -10.250 -11.907 247 HA LYS 30 HA LYS 30 6.855 -9.461 -14.591 248 HB2 LYS 30 2HB LYS 30 7.472 -11.671 -13.931 249 HB3 LYS 30 1HB LYS 30 5.846 -12.023 -13.364 250 HG2 LYS 30 2HG LYS 30 5.005 -12.059 -15.607 251 HG3 LYS 30 1HG LYS 30 6.560 -11.512 -16.243 252 HD2 LYS 30 2HD LYS 30 7.611 -13.552 -15.704 253 HD3 LYS 30 1HD LYS 30 6.284 -14.049 -14.654 254 HE2 LYS 30 2HE LYS 30 6.043 -13.681 -17.635 255 HE3 LYS 30 1HE LYS 30 6.351 -15.228 -16.848 256 HZ1 LYS 30 3HZ LYS 30 4.024 -15.033 -17.284 257 HZ2 LYS 30 1HZ LYS 30 3.944 -13.516 -16.525 258 HZ3 LYS 30 2HZ LYS 30 4.255 -14.901 -15.604 259 H SER 31 HN SER 31 3.942 -10.194 -12.746 260 HA SER 31 HA SER 31 2.097 -10.151 -14.857 261 HB2 SER 31 2HB SER 31 1.663 -10.929 -12.492 262 HB3 SER 31 1HB SER 31 1.577 -9.235 -12.015 263 HG SER 31 HG SER 31 -0.311 -10.785 -13.157 264 H ILE 32 HN ILE 32 3.324 -7.554 -12.775 265 HA ILE 32 HA ILE 32 1.787 -5.479 -13.971 266 HB ILE 32 HB ILE 32 4.421 -5.237 -12.506 267 HG12 ILE 32 2HG1 ILE 32 1.623 -4.959 -11.397 268 HG13 ILE 32 1HG1 ILE 32 2.601 -6.411 -11.232 269 HG21 ILE 32 1HG2 ILE 32 3.883 -3.229 -13.758 270 HG22 ILE 32 2HG2 ILE 32 3.682 -2.940 -12.029 271 HG23 ILE 32 3HG2 ILE 32 2.266 -3.197 -13.050 272 HD11 ILE 32 3HD1 ILE 32 2.655 -5.029 -9.231 273 HD12 ILE 32 1HD1 ILE 32 3.319 -3.690 -10.171 274 HD13 ILE 32 2HD1 ILE 32 4.252 -5.175 -9.966 275 H GLY 33 HN GLY 33 5.096 -6.666 -14.464 276 HA2 GLY 33 2HA GLY 33 5.934 -6.755 -16.755 277 HA3 GLY 33 1HA GLY 33 5.105 -5.233 -17.049 278 H VAL 34 HN VAL 34 6.932 -5.913 -14.151 279 HA VAL 34 HA VAL 34 8.960 -3.967 -15.039 280 HB VAL 34 HB VAL 34 9.220 -3.244 -12.708 281 HG11 VAL 34 1HG1 VAL 34 6.371 -3.063 -13.670 282 HG12 VAL 34 2HG1 VAL 34 7.700 -2.010 -14.156 283 HG13 VAL 34 3HG1 VAL 34 7.132 -2.001 -12.485 284 HG21 VAL 34 3HG2 VAL 34 6.872 -5.048 -12.138 285 HG22 VAL 34 1HG2 VAL 34 7.588 -3.903 -11.003 286 HG23 VAL 34 2HG2 VAL 34 8.528 -5.282 -11.575 287 H SER 35 HN SER 35 11.082 -4.252 -14.172 288 HA SER 35 HA SER 35 11.931 -6.957 -14.021 289 HB2 SER 35 2HB SER 35 13.480 -4.461 -13.262 290 HB3 SER 35 1HB SER 35 14.156 -6.037 -13.678 291 HG SER 35 HG SER 35 12.987 -5.704 -15.768 292 HA PRO 36 HA PRO 36 11.251 -7.782 -9.763 293 HB2 PRO 36 2HB PRO 36 13.277 -9.547 -9.243 294 HB3 PRO 36 1HB PRO 36 11.815 -9.973 -10.134 295 HG2 PRO 36 2HG PRO 36 14.516 -9.226 -11.190 296 HG3 PRO 36 1HG PRO 36 13.435 -10.533 -11.710 297 HD2 PRO 36 2HD PRO 36 13.611 -8.224 -13.075 298 HD3 PRO 36 1HD PRO 36 12.069 -9.093 -12.912 299 H GLN 37 HN GLN 37 14.434 -6.733 -10.812 300 HA GLN 37 HA GLN 37 15.503 -6.054 -8.294 301 HB2 GLN 37 2HB GLN 37 16.026 -4.846 -11.014 302 HB3 GLN 37 1HB GLN 37 16.963 -4.483 -9.574 303 HG2 GLN 37 2HG GLN 37 17.554 -6.889 -9.430 304 HG3 GLN 37 1HG GLN 37 16.742 -7.133 -10.975 305 HE21 GLN 37 1HE2 GLN 37 17.589 -4.517 -11.991 306 HE22 GLN 37 2HE2 GLN 37 19.267 -4.677 -12.378 307 H THR 38 HN THR 38 13.551 -4.236 -10.619 308 HA THR 38 HA THR 38 13.663 -1.759 -9.232 309 HB THR 38 HB THR 38 11.416 -2.552 -11.071 310 HG1 THR 38 1HG THR 38 13.444 -1.500 -12.472 311 HG21 THR 38 3HG2 THR 38 11.609 -0.225 -11.797 312 HG22 THR 38 1HG2 THR 38 12.993 0.002 -10.726 313 HG23 THR 38 2HG2 THR 38 11.396 -0.317 -10.046 314 H PHE 39 HN PHE 39 11.371 -4.412 -9.450 315 HA PHE 39 HA PHE 39 9.373 -3.447 -7.754 316 HB2 PHE 39 2HB PHE 39 9.324 -5.474 -9.279 317 HB3 PHE 39 1HB PHE 39 10.234 -6.329 -8.041 318 HD1 PHE 39 2HD PHE 39 7.023 -4.655 -8.756 319 HD2 PHE 39 1HD PHE 39 9.187 -7.214 -6.137 320 HE1 PHE 39 2HE PHE 39 4.924 -5.258 -7.618 321 HE2 PHE 39 1HE PHE 39 7.099 -7.823 -4.996 322 HZ PHE 39 HZ PHE 39 4.962 -6.850 -5.733 323 H ASN 40 HN ASN 40 12.368 -5.182 -7.116 324 HA ASN 40 HA ASN 40 11.964 -5.635 -4.368 325 HB2 ASN 40 2HB ASN 40 13.667 -6.830 -5.692 326 HB3 ASN 40 1HB ASN 40 14.576 -5.331 -5.870 327 HD21 ASN 40 1HD2 ASN 40 13.602 -7.855 -3.702 328 HD22 ASN 40 2HD2 ASN 40 14.735 -7.497 -2.443 329 H THR 41 HN THR 41 13.599 -2.986 -6.113 330 HA THR 41 HA THR 41 14.454 -1.647 -3.787 331 HB THR 41 HB THR 41 14.618 0.397 -5.260 332 HG1 THR 41 1HG THR 41 12.999 -1.014 -6.822 333 HG21 THR 41 3HG2 THR 41 16.469 -0.499 -6.576 334 HG22 THR 41 1HG2 THR 41 15.899 -2.140 -6.269 335 HG23 THR 41 2HG2 THR 41 16.485 -1.146 -4.936 336 H TRP 42 HN TRP 42 11.377 -1.701 -5.416 337 HA TRP 42 HA TRP 42 10.272 0.532 -3.991 338 HB2 TRP 42 2HB TRP 42 8.866 -1.779 -5.350 339 HB3 TRP 42 1HB TRP 42 8.094 -0.307 -4.782 340 HD1 TRP 42 1HD TRP 42 10.814 1.358 -6.112 341 HE1 TRP 42 1HE TRP 42 10.590 1.902 -8.618 342 HE3 TRP 42 3HE TRP 42 7.121 -1.958 -7.336 343 HZ2 TRP 42 2HZ TRP 42 9.039 1.048 -10.815 344 HZ3 TRP 42 3HZ TRP 42 6.323 -2.027 -9.660 345 HH2 TRP 42 2HH TRP 42 7.263 -0.552 -11.361 346 H CYS 43 HN CYS 43 10.208 -2.980 -3.646 347 HA CYS 43 HA CYS 43 8.462 -2.999 -1.406 348 HB2 CYS 43 2HB CYS 43 9.152 -4.854 -3.177 349 HB3 CYS 43 1HB CYS 43 10.343 -5.252 -1.946 350 HG CYS 43 HG CYS 43 8.656 -6.147 -0.079 351 H LYS 44 HN LYS 44 11.839 -2.501 -1.767 352 HA LYS 44 HA LYS 44 12.399 -2.999 1.035 353 HB2 LYS 44 2HB LYS 44 14.010 -2.368 -1.393 354 HB3 LYS 44 1HB LYS 44 14.686 -1.984 0.179 355 HG2 LYS 44 2HG LYS 44 13.666 -4.708 -0.581 356 HG3 LYS 44 1HG LYS 44 15.351 -4.206 -0.723 357 HD2 LYS 44 2HD LYS 44 15.483 -3.811 1.655 358 HD3 LYS 44 1HD LYS 44 13.763 -4.157 1.839 359 HE2 LYS 44 2HE LYS 44 15.798 -6.142 0.830 360 HE3 LYS 44 1HE LYS 44 15.270 -6.028 2.511 361 HZ1 LYS 44 3HZ LYS 44 13.970 -7.703 1.538 362 HZ2 LYS 44 1HZ LYS 44 13.657 -6.788 0.146 363 HZ3 LYS 44 2HZ LYS 44 12.948 -6.355 1.623 364 H GLY 45 HN GLY 45 11.037 -0.533 -0.689 365 HA2 GLY 45 2HA GLY 45 10.457 1.603 -0.051 366 HA3 GLY 45 1HA GLY 45 11.247 1.301 1.490 367 H ILE 46 HN ILE 46 12.921 0.950 -1.551 368 HA ILE 46 HA ILE 46 14.823 2.973 -0.727 369 HB ILE 46 HB ILE 46 14.789 1.256 -3.217 370 HG12 ILE 46 2HG1 ILE 46 16.350 0.926 -0.641 371 HG13 ILE 46 1HG1 ILE 46 14.956 -0.044 -1.106 372 HG21 ILE 46 1HG2 ILE 46 17.149 1.872 -3.431 373 HG22 ILE 46 2HG2 ILE 46 17.005 2.926 -2.023 374 HG23 ILE 46 3HG2 ILE 46 16.110 3.298 -3.498 375 HD11 ILE 46 3HD1 ILE 46 16.203 -0.876 -3.044 376 HD12 ILE 46 1HD1 ILE 46 17.012 -1.241 -1.518 377 HD13 ILE 46 2HD1 ILE 46 17.602 0.075 -2.536 378 H ALA 47 HN ALA 47 12.447 2.459 -3.287 379 HA ALA 47 HA ALA 47 12.353 5.322 -3.755 380 HB1 ALA 47 1HB ALA 47 14.096 4.585 -5.297 381 HB2 ALA 47 2HB ALA 47 12.660 5.113 -6.175 382 HB3 ALA 47 3HB ALA 47 12.994 3.392 -5.984 383 H ILE 48 HN ILE 48 10.478 5.997 -4.877 384 HA ILE 48 HA ILE 48 8.394 3.938 -5.181 385 HB ILE 48 HB ILE 48 8.117 6.862 -4.453 386 HG12 ILE 48 2HG1 ILE 48 7.283 4.344 -3.000 387 HG13 ILE 48 1HG1 ILE 48 8.683 5.333 -2.607 388 HG21 ILE 48 1HG2 ILE 48 6.376 6.276 -6.055 389 HG22 ILE 48 2HG2 ILE 48 5.697 6.525 -4.448 390 HG23 ILE 48 3HG2 ILE 48 5.919 4.889 -5.067 391 HD11 ILE 48 3HD1 ILE 48 7.205 7.206 -2.071 392 HD12 ILE 48 1HD1 ILE 48 6.838 5.786 -1.095 393 HD13 ILE 48 2HD1 ILE 48 5.805 6.208 -2.461 394 HA PRO 49 HA PRO 49 8.722 4.842 -9.505 395 HB2 PRO 49 2HB PRO 49 6.392 3.659 -10.290 396 HB3 PRO 49 1HB PRO 49 7.849 2.755 -9.882 397 HG2 PRO 49 2HG PRO 49 5.449 3.334 -8.183 398 HG3 PRO 49 1HG PRO 49 6.332 1.808 -8.389 399 HD2 PRO 49 2HD PRO 49 6.727 3.378 -6.246 400 HD3 PRO 49 1HD PRO 49 8.058 2.472 -6.995 401 H ARG 50 HN ARG 50 6.839 5.430 -11.269 402 HA ARG 50 HA ARG 50 5.912 8.028 -10.353 403 HB2 ARG 50 2HB ARG 50 5.862 6.772 -13.100 404 HB3 ARG 50 1HB ARG 50 5.413 8.430 -12.731 405 HG2 ARG 50 2HG ARG 50 8.150 7.249 -12.279 406 HG3 ARG 50 1HG ARG 50 7.684 8.221 -13.674 407 HD2 ARG 50 2HD ARG 50 8.844 9.616 -12.085 408 HD3 ARG 50 1HD ARG 50 7.149 10.091 -12.147 409 HE ARG 50 HE ARG 50 7.621 8.212 -10.069 410 HH11 ARG 50 1HH1 ARG 50 8.089 11.595 -10.877 411 HH12 ARG 50 2HH1 ARG 50 7.942 12.125 -9.225 412 HH21 ARG 50 1HH2 ARG 50 7.407 8.925 -7.918 413 HH22 ARG 50 2HH2 ARG 50 7.553 10.618 -7.552 414 H MET 51 HN MET 51 3.696 8.751 -11.083 415 HA MET 51 HA MET 51 1.874 7.327 -9.551 416 HB2 MET 51 2HB MET 51 0.154 8.823 -10.391 417 HB3 MET 51 1HB MET 51 1.627 9.715 -10.057 418 HG2 MET 51 2HG MET 51 2.168 9.750 -12.432 419 HG3 MET 51 1HG MET 51 0.711 8.822 -12.782 420 HE1 MET 51 3HE MET 51 1.101 11.680 -10.124 421 HE2 MET 51 1HE MET 51 0.656 13.100 -11.070 422 HE3 MET 51 2HE MET 51 2.140 12.223 -11.444 423 H GLY 52 HN GLY 52 2.457 7.100 -13.018 424 HA2 GLY 52 2HA GLY 52 0.137 5.637 -13.677 425 HA3 GLY 52 1HA GLY 52 1.641 5.631 -14.586 426 H LYS 53 HN LYS 53 3.317 4.578 -12.549 427 HA LYS 53 HA LYS 53 2.586 1.796 -12.864 428 HB2 LYS 53 2HB LYS 53 4.926 2.846 -13.202 429 HB3 LYS 53 1HB LYS 53 5.047 2.772 -11.451 430 HG2 LYS 53 2HG LYS 53 5.227 0.517 -11.411 431 HG3 LYS 53 1HG LYS 53 4.226 0.298 -12.850 432 HD2 LYS 53 2HD LYS 53 7.038 1.397 -12.871 433 HD3 LYS 53 1HD LYS 53 6.622 -0.284 -13.206 434 HE2 LYS 53 2HE LYS 53 5.238 0.434 -15.088 435 HE3 LYS 53 1HE LYS 53 5.649 2.115 -14.755 436 HZ1 LYS 53 3HZ LYS 53 6.994 1.254 -16.537 437 HZ2 LYS 53 1HZ LYS 53 7.544 -0.027 -15.568 438 HZ3 LYS 53 2HZ LYS 53 7.977 1.574 -15.192 439 H VAL 54 HN VAL 54 2.848 4.183 -10.311 440 HA VAL 54 HA VAL 54 2.391 2.458 -8.117 441 HB VAL 54 HB VAL 54 1.508 5.339 -8.464 442 HG11 VAL 54 1HG1 VAL 54 0.271 4.223 -6.675 443 HG12 VAL 54 2HG1 VAL 54 1.392 5.417 -6.021 444 HG13 VAL 54 3HG1 VAL 54 1.788 3.701 -5.942 445 HG21 VAL 54 3HG2 VAL 54 3.993 4.173 -7.212 446 HG22 VAL 54 1HG2 VAL 54 3.519 5.871 -7.134 447 HG23 VAL 54 2HG2 VAL 54 3.902 5.132 -8.690 448 H GLN 55 HN GLN 55 0.232 4.140 -10.349 449 HA GLN 55 HA GLN 55 -2.204 3.268 -9.253 450 HB2 GLN 55 2HB GLN 55 -2.066 5.058 -10.918 451 HB3 GLN 55 1HB GLN 55 -1.518 3.910 -12.128 452 HG2 GLN 55 2HG GLN 55 -3.850 4.431 -12.449 453 HG3 GLN 55 1HG GLN 55 -3.654 2.742 -11.989 454 HE21 GLN 55 1HE2 GLN 55 -4.359 2.056 -9.965 455 HE22 GLN 55 2HE2 GLN 55 -5.445 3.004 -9.008 456 H ALA 56 HN ALA 56 0.013 1.779 -11.573 457 HA ALA 56 HA ALA 56 -1.571 -0.419 -12.290 458 HB1 ALA 56 1HB ALA 56 0.499 -1.501 -12.978 459 HB2 ALA 56 2HB ALA 56 1.435 -0.317 -12.064 460 HB3 ALA 56 3HB ALA 56 0.494 0.196 -13.464 461 H LEU 57 HN LEU 57 0.631 0.072 -9.570 462 HA LEU 57 HA LEU 57 0.503 -2.506 -8.458 463 HB2 LEU 57 2HB LEU 57 0.899 0.193 -7.169 464 HB3 LEU 57 1HB LEU 57 1.104 -1.327 -6.326 465 HG LEU 57 HG LEU 57 2.709 -0.581 -8.765 466 HD11 LEU 57 1HD1 LEU 57 3.416 -0.246 -5.851 467 HD12 LEU 57 2HD1 LEU 57 3.119 1.058 -7.002 468 HD13 LEU 57 3HD1 LEU 57 4.514 -0.005 -7.211 469 HD21 LEU 57 3HD2 LEU 57 4.200 -2.340 -7.958 470 HD22 LEU 57 1HD2 LEU 57 2.577 -2.967 -8.250 471 HD23 LEU 57 2HD2 LEU 57 3.115 -2.644 -6.602 472 H ALA 58 HN ALA 58 -1.369 0.429 -7.714 473 HA ALA 58 HA ALA 58 -3.100 -0.790 -5.843 474 HB1 ALA 58 1HB ALA 58 -4.465 1.204 -6.073 475 HB2 ALA 58 2HB ALA 58 -3.604 1.650 -7.547 476 HB3 ALA 58 3HB ALA 58 -2.758 1.643 -5.997 477 H ASP 59 HN ASP 59 -3.176 -0.471 -9.304 478 HA ASP 59 HA ASP 59 -5.854 -1.185 -9.804 479 HB2 ASP 59 2HB ASP 59 -4.453 -0.144 -11.500 480 HB3 ASP 59 1HB ASP 59 -3.352 -1.512 -11.479 481 H TYR 60 HN TYR 60 -2.905 -3.078 -9.501 482 HA TYR 60 HA TYR 60 -3.976 -5.562 -10.287 483 HB2 TYR 60 2HB TYR 60 -1.538 -4.961 -10.122 484 HB3 TYR 60 1HB TYR 60 -1.680 -5.112 -8.375 485 HD1 TYR 60 1HD TYR 60 -2.393 -7.077 -11.472 486 HD2 TYR 60 2HD TYR 60 -1.134 -7.138 -7.407 487 HE1 TYR 60 1HE TYR 60 -1.948 -9.487 -11.652 488 HE2 TYR 60 2HE TYR 60 -0.687 -9.551 -7.578 489 HH TYR 60 HH TYR 60 -0.645 -11.202 -10.586 490 H PHE 61 HN PHE 61 -3.770 -3.956 -7.163 491 HA PHE 61 HA PHE 61 -4.942 -6.270 -5.833 492 HB2 PHE 61 2HB PHE 61 -3.911 -3.634 -4.783 493 HB3 PHE 61 1HB PHE 61 -4.633 -4.872 -3.770 494 HD1 PHE 61 1HD PHE 61 -3.522 -7.148 -3.679 495 HD2 PHE 61 2HD PHE 61 -1.645 -3.719 -5.359 496 HE1 PHE 61 1HE PHE 61 -1.329 -8.239 -3.443 497 HE2 PHE 61 2HE PHE 61 0.551 -4.806 -5.130 498 HZ PHE 61 HZ PHE 61 0.715 -7.068 -4.169 499 H ASN 62 HN ASN 62 -6.031 -3.677 -7.525 500 HA ASN 62 HA ASN 62 -8.026 -2.651 -7.826 501 HB2 ASN 62 2HB ASN 62 -8.806 -5.067 -7.678 502 HB3 ASN 62 1HB ASN 62 -9.224 -4.739 -5.999 503 HD21 ASN 62 1HD2 ASN 62 -11.392 -5.106 -6.339 504 HD22 ASN 62 2HD2 ASN 62 -12.398 -4.009 -7.218 505 H ILE 63 HN ILE 63 -6.294 -1.929 -5.598 506 HA ILE 63 HA ILE 63 -8.242 -0.885 -3.654 507 HB ILE 63 HB ILE 63 -6.305 -0.516 -2.152 508 HG12 ILE 63 2HG1 ILE 63 -4.757 -2.074 -4.240 509 HG13 ILE 63 1HG1 ILE 63 -4.567 -0.356 -3.915 510 HG21 ILE 63 1HG2 ILE 63 -7.658 -2.516 -1.929 511 HG22 ILE 63 2HG2 ILE 63 -5.968 -2.875 -1.571 512 HG23 ILE 63 3HG2 ILE 63 -6.660 -3.347 -3.124 513 HD11 ILE 63 3HD1 ILE 63 -2.807 -1.701 -2.886 514 HD12 ILE 63 1HD1 ILE 63 -4.026 -2.564 -1.951 515 HD13 ILE 63 2HD1 ILE 63 -3.770 -0.841 -1.684 516 H ASN 64 HN ASN 64 -6.888 1.194 -2.568 517 HA ASN 64 HA ASN 64 -6.819 3.100 -4.796 518 HB2 ASN 64 2HB ASN 64 -8.222 3.402 -2.626 519 HB3 ASN 64 1HB ASN 64 -6.696 3.802 -1.864 520 HD21 ASN 64 1HD2 ASN 64 -9.013 5.467 -2.180 521 HD22 ASN 64 2HD2 ASN 64 -8.520 6.853 -3.101 522 H LYS 65 HN LYS 65 -5.066 4.583 -4.994 523 HA LYS 65 HA LYS 65 -2.503 3.527 -4.492 524 HB2 LYS 65 2HB LYS 65 -1.669 5.740 -5.219 525 HB3 LYS 65 1HB LYS 65 -2.860 5.068 -6.319 526 HG2 LYS 65 2HG LYS 65 -4.574 6.512 -5.287 527 HG3 LYS 65 1HG LYS 65 -3.314 7.238 -4.289 528 HD2 LYS 65 2HD LYS 65 -2.136 7.977 -6.298 529 HD3 LYS 65 1HD LYS 65 -3.379 7.233 -7.306 530 HE2 LYS 65 2HE LYS 65 -5.056 8.725 -6.291 531 HE3 LYS 65 1HE LYS 65 -3.778 9.497 -5.356 532 HZ1 LYS 65 3HZ LYS 65 -2.727 10.182 -7.419 533 HZ2 LYS 65 1HZ LYS 65 -4.321 10.761 -7.340 534 HZ3 LYS 65 2HZ LYS 65 -3.949 9.428 -8.321 535 H SER 66 HN SER 66 -4.630 5.566 -2.662 536 HA SER 66 HA SER 66 -2.706 6.603 -0.858 537 HB2 SER 66 2HB SER 66 -4.709 7.110 0.569 538 HB3 SER 66 1HB SER 66 -4.822 7.721 -1.081 539 HG SER 66 HG SER 66 -6.741 6.633 -0.273 540 H ASP 67 HN ASP 67 -4.358 3.551 -1.082 541 HA ASP 67 HA ASP 67 -4.142 2.710 1.594 542 HB2 ASP 67 2HB ASP 67 -4.301 1.224 -1.013 543 HB3 ASP 67 1HB ASP 67 -4.049 0.357 0.497 544 H LEU 68 HN LEU 68 -1.770 3.016 -0.892 545 HA LEU 68 HA LEU 68 0.161 1.385 0.557 546 HB2 LEU 68 2HB LEU 68 0.398 2.883 -2.056 547 HB3 LEU 68 1HB LEU 68 1.635 1.846 -1.375 548 HG LEU 68 HG LEU 68 -1.109 0.928 -2.246 549 HD11 LEU 68 1HD1 LEU 68 1.587 0.608 -3.560 550 HD12 LEU 68 2HD1 LEU 68 0.238 1.579 -4.152 551 HD13 LEU 68 3HD1 LEU 68 0.095 -0.177 -4.078 552 HD21 LEU 68 3HD2 LEU 68 -0.190 -0.411 -0.422 553 HD22 LEU 68 1HD2 LEU 68 1.302 -0.637 -1.334 554 HD23 LEU 68 2HD2 LEU 68 -0.209 -1.321 -1.933 555 H ILE 69 HN ILE 69 -0.794 4.649 0.258 556 HA ILE 69 HA ILE 69 1.851 5.663 0.981 557 HB ILE 69 HB ILE 69 -0.605 7.150 0.056 558 HG12 ILE 69 2HG1 ILE 69 0.356 5.693 -1.680 559 HG13 ILE 69 1HG1 ILE 69 0.564 7.392 -2.075 560 HG21 ILE 69 1HG2 ILE 69 0.795 8.560 1.435 561 HG22 ILE 69 2HG2 ILE 69 0.916 9.057 -0.253 562 HG23 ILE 69 3HG2 ILE 69 2.216 8.123 0.487 563 HD11 ILE 69 3HD1 ILE 69 2.878 7.290 -1.366 564 HD12 ILE 69 1HD1 ILE 69 2.545 6.075 -2.598 565 HD13 ILE 69 2HD1 ILE 69 2.675 5.601 -0.905 566 H GLU 70 HN GLU 70 -1.515 5.692 2.118 567 HA GLU 70 HA GLU 70 -1.028 7.692 4.084 568 HB2 GLU 70 2HB GLU 70 -3.347 6.004 3.300 569 HB3 GLU 70 1HB GLU 70 -3.379 6.816 4.854 570 HG2 GLU 70 2HG GLU 70 -3.018 8.145 2.180 571 HG3 GLU 70 1HG GLU 70 -4.498 8.127 3.138 572 H ASP 71 HN ASP 71 -1.600 7.434 6.337 573 HA ASP 71 HA ASP 71 -0.134 5.172 7.467 574 HB2 ASP 71 2HB ASP 71 0.604 7.459 8.021 575 HB3 ASP 71 1HB ASP 71 -0.987 7.826 8.670 576 H LYS 72 HN LYS 72 -1.021 4.783 9.892 577 HA LYS 72 HA LYS 72 -2.636 4.014 11.295 578 HB2 LYS 72 2HB LYS 72 -3.908 6.091 10.577 579 HB3 LYS 72 1HB LYS 72 -4.735 5.080 9.400 580 HG2 LYS 72 2HG LYS 72 -5.514 3.646 11.285 581 HG3 LYS 72 1HG LYS 72 -4.813 4.823 12.396 582 HD2 LYS 72 2HD LYS 72 -6.887 5.518 10.321 583 HD3 LYS 72 1HD LYS 72 -7.284 5.062 11.976 584 HE2 LYS 72 2HE LYS 72 -7.303 7.412 11.946 585 HE3 LYS 72 1HE LYS 72 -5.782 6.965 12.715 586 HZ1 LYS 72 3HZ LYS 72 -5.650 8.788 11.023 587 HZ2 LYS 72 1HZ LYS 72 -5.998 7.633 9.830 588 HZ3 LYS 72 2HZ LYS 72 -4.586 7.501 10.759 589 H LYS 73 HN LYS 73 -1.893 2.889 8.412 590 HA LYS 73 HA LYS 73 -3.892 0.770 8.336 591 HB2 LYS 73 2HB LYS 73 -1.689 1.556 6.431 592 HB3 LYS 73 1HB LYS 73 -2.737 0.168 6.202 593 HG2 LYS 73 2HG LYS 73 -4.686 1.704 6.210 594 HG3 LYS 73 1HG LYS 73 -3.559 3.057 6.286 595 HD2 LYS 73 2HD LYS 73 -4.133 2.840 4.018 596 HD3 LYS 73 1HD LYS 73 -2.527 2.129 4.165 597 HE2 LYS 73 2HE LYS 73 -5.081 0.528 4.212 598 HE3 LYS 73 1HE LYS 73 -4.156 0.836 2.747 599 HZ1 LYS 73 3HZ LYS 73 -2.233 -0.238 3.930 600 HZ2 LYS 73 1HZ LYS 73 -3.516 -1.270 3.532 601 HZ3 LYS 73 2HZ LYS 73 -3.336 -0.734 5.122 602 H LEU 74 HN LEU 74 -1.585 1.155 10.288 603 HA LEU 74 HA LEU 74 0.131 -1.094 9.797 604 HB2 LEU 74 2HB LEU 74 -0.132 0.770 12.155 605 HB3 LEU 74 1HB LEU 74 1.079 -0.478 12.007 606 HG LEU 74 HG LEU 74 0.807 1.905 10.180 607 HD11 LEU 74 1HD1 LEU 74 2.808 1.276 12.345 608 HD12 LEU 74 2HD1 LEU 74 1.582 2.543 12.386 609 HD13 LEU 74 3HD1 LEU 74 2.906 2.633 11.225 610 HD21 LEU 74 3HD2 LEU 74 1.696 -0.051 9.022 611 HD22 LEU 74 1HD2 LEU 74 2.904 -0.265 10.289 612 HD23 LEU 74 2HD2 LEU 74 2.951 1.165 9.259 613 H ASN 75 HN ASN 75 -1.611 -2.646 9.699 614 HA ASN 75 HA ASN 75 -2.654 -3.438 12.319 615 HB2 ASN 75 2HB ASN 75 -4.341 -3.224 10.530 616 HB3 ASN 75 1HB ASN 75 -3.452 -4.374 9.546 617 HD21 ASN 75 1HD2 ASN 75 -5.402 -3.962 12.415 618 HD22 ASN 75 2HD2 ASN 75 -5.803 -5.634 12.607 619 H ILE 76 HN ILE 76 -1.915 -5.218 13.275 620 HA ILE 76 HA ILE 76 0.540 -6.295 12.258 621 HB ILE 76 HB ILE 76 -0.951 -7.087 14.744 622 HG12 ILE 76 2HG1 ILE 76 -0.444 -4.688 14.769 623 HG13 ILE 76 1HG1 ILE 76 0.561 -5.543 15.929 624 HG21 ILE 76 1HG2 ILE 76 1.938 -7.453 13.984 625 HG22 ILE 76 2HG2 ILE 76 0.710 -8.719 14.029 626 HG23 ILE 76 3HG2 ILE 76 1.205 -7.917 15.521 627 HD11 ILE 76 3HD1 ILE 76 1.802 -3.832 14.706 628 HD12 ILE 76 1HD1 ILE 76 1.439 -4.662 13.191 629 HD13 ILE 76 2HD1 ILE 76 2.444 -5.450 14.410 630 H ASP 77 HN ASP 77 0.723 -7.960 11.027 631 HA ASP 77 HA ASP 77 -0.874 -10.349 11.526 632 HB2 ASP 77 2HB ASP 77 -1.896 -9.125 9.585 633 HB3 ASP 77 1HB ASP 77 -0.365 -9.293 8.732 634 H THR 78 HN THR 78 1.907 -9.084 11.752 635 HA THR 78 HA THR 78 3.460 -11.248 10.505 636 HB THR 78 HB THR 78 5.393 -9.582 10.702 637 HG1 THR 78 1HG THR 78 4.577 -7.343 10.687 638 HG21 THR 78 3HG2 THR 78 4.348 -10.121 8.561 639 HG22 THR 78 1HG2 THR 78 4.764 -8.407 8.635 640 HG23 THR 78 2HG2 THR 78 3.091 -8.920 8.860 641 H VAL 79 HN VAL 79 5.832 -10.873 11.847 642 HA VAL 79 HA VAL 79 5.121 -11.562 14.621 643 HB VAL 79 HB VAL 79 7.675 -12.227 13.137 644 HG11 VAL 79 1HG1 VAL 79 6.617 -13.147 15.805 645 HG12 VAL 79 2HG1 VAL 79 7.998 -12.084 15.531 646 HG13 VAL 79 3HG1 VAL 79 8.066 -13.769 15.013 647 HG21 VAL 79 3HG2 VAL 79 5.802 -13.425 12.154 648 HG22 VAL 79 1HG2 VAL 79 5.302 -13.985 13.749 649 HG23 VAL 79 2HG2 VAL 79 6.832 -14.529 13.064 650 HA PRO 80 HA PRO 80 7.070 -7.437 14.937 651 HB2 PRO 80 2HB PRO 80 5.521 -7.122 17.373 652 HB3 PRO 80 1HB PRO 80 5.400 -6.222 15.860 653 HG2 PRO 80 2HG PRO 80 3.471 -7.939 16.734 654 HG3 PRO 80 1HG PRO 80 3.768 -7.585 15.024 655 HD2 PRO 80 2HD PRO 80 4.615 -9.955 16.641 656 HD3 PRO 80 1HD PRO 80 4.022 -9.883 14.968 657 H ILE 81 HN ILE 81 9.116 -7.806 15.545 658 HA ILE 81 HA ILE 81 9.797 -9.061 18.048 659 HB ILE 81 HB ILE 81 11.566 -7.496 16.143 660 HG12 ILE 81 2HG1 ILE 81 10.513 -9.395 15.009 661 HG13 ILE 81 1HG1 ILE 81 12.231 -9.695 15.250 662 HG21 ILE 81 1HG2 ILE 81 12.254 -9.446 18.336 663 HG22 ILE 81 2HG2 ILE 81 12.558 -7.709 18.341 664 HG23 ILE 81 3HG2 ILE 81 13.405 -8.750 17.196 665 HD11 ILE 81 3HD1 ILE 81 9.990 -10.826 16.916 666 HD12 ILE 81 1HD1 ILE 81 11.710 -11.136 17.153 667 HD13 ILE 81 2HD1 ILE 81 10.908 -11.687 15.682 668 H GLU 82 HN GLU 82 10.742 -7.992 19.852 669 HA GLU 82 HA GLU 82 9.560 -5.637 20.662 670 HB2 GLU 82 2HB GLU 82 11.335 -5.521 22.405 671 HB3 GLU 82 1HB GLU 82 10.555 -7.089 22.284 672 HG2 GLU 82 2HG GLU 82 12.456 -7.977 21.076 673 HG3 GLU 82 1HG GLU 82 13.228 -6.392 21.082 674 H SER 83 HN SER 83 9.708 -3.663 19.946 675 HA SER 83 HA SER 83 12.277 -2.455 19.388 676 HB2 SER 83 2HB SER 83 10.105 -2.525 17.270 677 HB3 SER 83 1HB SER 83 11.640 -1.665 17.153 678 HG SER 83 HG SER 83 11.984 -4.292 17.773 679 H GLY 84 HN GLY 84 12.051 -0.080 19.096 680 HA2 GLY 84 2HA GLY 84 9.516 0.943 20.196 681 HA3 GLY 84 1HA GLY 84 11.041 1.379 20.955 682 H TYR 85 HN TYR 85 9.774 3.483 20.308 683 HA TYR 85 HA TYR 85 11.133 4.510 17.950 684 HB2 TYR 85 2HB TYR 85 9.085 5.579 17.082 685 HB3 TYR 85 1HB TYR 85 8.942 3.824 17.076 686 HD1 TYR 85 2HD TYR 85 7.787 6.934 18.660 687 HD2 TYR 85 1HD TYR 85 7.350 2.703 18.505 688 HE1 TYR 85 2HE TYR 85 5.707 7.106 19.952 689 HE2 TYR 85 1HE TYR 85 5.265 2.867 19.798 690 HH TYR 85 HH TYR 85 3.743 5.913 20.448 691 H THR 86 HN THR 86 10.757 6.970 17.843 692 HA THR 86 HA THR 86 10.192 8.137 20.471 693 HB THR 86 HB THR 86 12.659 8.938 18.910 694 HG1 THR 86 1HG THR 86 12.249 6.696 20.313 695 HG21 THR 86 3HG2 THR 86 13.336 9.941 21.044 696 HG22 THR 86 1HG2 THR 86 11.836 9.386 21.789 697 HG23 THR 86 2HG2 THR 86 11.790 10.596 20.508 698 H LEU 87 HN LEU 87 8.994 7.973 17.712 699 HA LEU 87 HA LEU 87 9.120 10.662 16.674 700 HB2 LEU 87 2HB LEU 87 8.769 8.456 15.359 701 HB3 LEU 87 1HB LEU 87 7.106 8.563 15.894 702 HG LEU 87 HG LEU 87 7.542 9.418 13.574 703 HD11 LEU 87 1HD1 LEU 87 6.436 11.424 15.531 704 HD12 LEU 87 2HD1 LEU 87 5.546 10.087 14.799 705 HD13 LEU 87 3HD1 LEU 87 6.149 11.404 13.790 706 HD21 LEU 87 3HD2 LEU 87 8.961 11.622 15.063 707 HD22 LEU 87 1HD2 LEU 87 8.536 11.650 13.351 708 HD23 LEU 87 2HD2 LEU 87 9.693 10.464 13.952 709 H GLU 88 HN GLU 88 8.271 12.131 18.010 710 HA GLU 88 HA GLU 88 5.844 11.575 19.500 711 HB2 GLU 88 2HB GLU 88 6.346 14.149 20.090 712 HB3 GLU 88 1HB GLU 88 7.118 12.806 20.914 713 HG2 GLU 88 2HG GLU 88 8.736 14.507 20.352 714 HG3 GLU 88 1HG GLU 88 9.067 13.027 19.459 715 H HIS 89 HN HIS 89 6.901 13.422 16.766 716 HA HIS 89 HA HIS 89 5.868 14.668 15.202 717 HB2 HIS 89 2HB HIS 89 4.552 12.556 14.917 718 HB3 HIS 89 1HB HIS 89 3.339 13.217 16.008 719 HD1 HIS 89 1HD HIS 89 1.441 13.438 14.322 720 HD2 HIS 89 2HD HIS 89 4.952 15.308 13.096 721 HE1 HIS 89 1HE HIS 89 0.819 14.800 12.303 722 HE2 HIS 89 2HE HIS 89 2.910 16.089 11.712 723 H HIS 90 HN HIS 90 6.368 16.245 17.098 724 HA HIS 90 HA HIS 90 4.232 17.503 18.429 725 HB2 HIS 90 2HB HIS 90 6.558 17.927 19.055 726 HB3 HIS 90 1HB HIS 90 6.871 18.657 17.485 727 HD1 HIS 90 1HD HIS 90 7.043 21.111 17.713 728 HD2 HIS 90 2HD HIS 90 4.192 19.509 20.291 729 HE1 HIS 90 1HE HIS 90 6.023 23.076 18.909 730 HE2 HIS 90 2HE HIS 90 4.365 22.080 20.528 731 H HIS 91 HN HIS 91 2.513 18.390 17.499 732 HA HIS 91 HA HIS 91 2.472 19.020 14.726 733 HB2 HIS 91 2HB HIS 91 0.167 19.728 15.071 734 HB3 HIS 91 1HB HIS 91 0.465 18.202 15.886 735 HD1 HIS 91 1HD HIS 91 -0.402 21.772 16.513 736 HD2 HIS 91 2HD HIS 91 0.303 18.306 18.699 737 HE1 HIS 91 1HE HIS 91 -1.221 22.258 18.839 738 HE2 HIS 91 2HE HIS 91 -1.004 20.073 20.069 739 H HIS 92 HN HIS 92 2.866 20.833 13.695 740 HA HIS 92 HA HIS 92 2.810 23.377 15.154 741 HB2 HIS 92 2HB HIS 92 5.165 22.601 15.054 742 HB3 HIS 92 1HB HIS 92 5.046 22.497 13.303 743 HD1 HIS 92 1HD HIS 92 5.991 24.762 15.978 744 HD2 HIS 92 2HD HIS 92 4.614 25.143 12.069 745 HE1 HIS 92 1HE HIS 92 6.542 27.112 15.286 746 HE2 HIS 92 2HE HIS 92 5.493 27.382 13.012 747 H HIS 93 HN HIS 93 1.473 24.711 14.124 748 HA HIS 93 HA HIS 93 0.755 24.110 11.356 749 HB2 HIS 93 2HB HIS 93 -0.500 25.854 13.467 750 HB3 HIS 93 1HB HIS 93 -1.011 25.915 11.784 751 HD1 HIS 93 1HD HIS 93 -2.966 25.051 13.986 752 HD2 HIS 93 2HD HIS 93 -0.663 22.418 11.733 753 HE1 HIS 93 1HE HIS 93 -4.163 22.839 14.087 754 HE2 HIS 93 2HE HIS 93 -2.853 21.316 12.564 755 H HIS 94 HN HIS 94 0.571 25.765 9.778 756 HA HIS 94 HA HIS 94 1.440 27.380 8.456 757 HB2 HIS 94 2HB HIS 94 1.983 28.833 11.058 758 HB3 HIS 94 1HB HIS 94 2.002 29.555 9.453 759 HD1 HIS 94 1HD HIS 94 -0.364 29.614 8.191 760 HD2 HIS 94 2HD HIS 94 -0.472 28.722 12.252 761 HE1 HIS 94 1HE HIS 94 -2.754 29.957 8.899 762 HE2 HIS 94 2HE HIS 94 -2.834 29.193 11.303 Start of MODEL 20 1 H1 MET 1 H1 MET 1 15.263 8.949 11.503 2 H2 MET 1 H2 MET 1 15.749 10.036 10.299 3 H3 MET 1 H3 MET 1 16.634 9.918 11.741 4 HA MET 1 HA MET 1 17.718 8.814 9.864 5 HB2 MET 1 2HB MET 1 18.028 6.578 11.041 6 HB3 MET 1 1HB MET 1 18.357 8.010 12.002 7 HG2 MET 1 2HG MET 1 17.183 6.481 13.373 8 HG3 MET 1 1HG MET 1 16.072 7.787 12.980 9 HE1 MET 1 2HE MET 1 17.178 4.722 10.721 10 HE2 MET 1 3HE MET 1 15.904 3.564 11.116 11 HE3 MET 1 1HE MET 1 17.065 4.051 12.350 12 H VAL 2 HN VAL 2 14.453 8.513 9.820 13 HA VAL 2 HA VAL 2 14.313 5.982 8.425 14 HB VAL 2 HB VAL 2 12.483 6.649 9.918 15 HG11 VAL 2 1HG1 VAL 2 11.975 8.860 7.934 16 HG12 VAL 2 2HG1 VAL 2 12.559 9.060 9.586 17 HG13 VAL 2 3HG1 VAL 2 10.935 8.436 9.294 18 HG21 VAL 2 3HG2 VAL 2 10.603 6.220 8.365 19 HG22 VAL 2 1HG2 VAL 2 11.956 5.106 8.155 20 HG23 VAL 2 2HG2 VAL 2 11.719 6.432 7.015 21 H LYS 3 HN LYS 3 14.574 9.344 7.669 22 HA LYS 3 HA LYS 3 14.592 10.562 5.772 23 HB2 LYS 3 2HB LYS 3 15.360 7.897 4.572 24 HB3 LYS 3 1HB LYS 3 15.317 9.391 3.647 25 HG2 LYS 3 2HG LYS 3 17.542 9.229 4.207 26 HG3 LYS 3 1HG LYS 3 16.925 10.277 5.483 27 HD2 LYS 3 2HD LYS 3 18.371 8.632 6.460 28 HD3 LYS 3 1HD LYS 3 16.711 8.275 6.940 29 HE2 LYS 3 2HE LYS 3 16.569 6.549 5.228 30 HE3 LYS 3 1HE LYS 3 18.199 6.937 4.680 31 HZ1 LYS 3 3HZ LYS 3 19.025 6.289 6.879 32 HZ2 LYS 3 1HZ LYS 3 18.243 5.008 6.089 33 HZ3 LYS 3 2HZ LYS 3 17.461 5.844 7.343 34 H ASP 4 HN ASP 4 12.355 10.903 6.085 35 HA ASP 4 HA ASP 4 10.275 11.247 5.269 36 HB2 ASP 4 2HB ASP 4 11.181 9.602 2.895 37 HB3 ASP 4 1HB ASP 4 9.655 10.473 2.995 38 H LYS 5 HN LYS 5 8.902 10.289 6.621 39 HA LYS 5 HA LYS 5 8.692 7.566 7.162 40 HB2 LYS 5 2HB LYS 5 6.930 9.913 7.545 41 HB3 LYS 5 1HB LYS 5 6.162 8.335 7.628 42 HG2 LYS 5 2HG LYS 5 7.880 7.692 9.337 43 HG3 LYS 5 1HG LYS 5 8.390 9.385 9.351 44 HD2 LYS 5 2HD LYS 5 6.247 10.105 10.095 45 HD3 LYS 5 1HD LYS 5 5.551 8.506 9.836 46 HE2 LYS 5 2HE LYS 5 7.016 7.616 11.609 47 HE3 LYS 5 1HE LYS 5 7.635 9.245 11.889 48 HZ1 LYS 5 3HZ LYS 5 5.438 9.971 12.502 49 HZ2 LYS 5 1HZ LYS 5 5.860 8.628 13.452 50 HZ3 LYS 5 2HZ LYS 5 4.783 8.447 12.153 51 H GLN 6 HN GLN 6 7.362 9.425 4.533 52 HA GLN 6 HA GLN 6 5.311 7.751 3.673 53 HB2 GLN 6 2HB GLN 6 5.861 10.049 2.793 54 HB3 GLN 6 1HB GLN 6 7.177 9.320 1.885 55 HG2 GLN 6 2HG GLN 6 5.317 9.615 0.421 56 HG3 GLN 6 1HG GLN 6 5.525 7.892 0.723 57 HE21 GLN 6 1HE2 GLN 6 3.534 10.681 1.292 58 HE22 GLN 6 2HE2 GLN 6 2.158 9.826 1.897 59 H LYS 7 HN LYS 7 8.775 7.600 3.141 60 HA LYS 7 HA LYS 7 8.817 5.536 1.219 61 HB2 LYS 7 2HB LYS 7 10.742 7.001 1.707 62 HB3 LYS 7 1HB LYS 7 10.882 6.287 3.305 63 HG2 LYS 7 2HG LYS 7 11.277 4.080 2.161 64 HG3 LYS 7 1HG LYS 7 11.395 4.982 0.650 65 HD2 LYS 7 2HD LYS 7 13.089 5.639 3.050 66 HD3 LYS 7 1HD LYS 7 13.577 4.440 1.857 67 HE2 LYS 7 2HE LYS 7 14.626 6.526 1.320 68 HE3 LYS 7 1HE LYS 7 13.402 6.182 0.103 69 HZ1 LYS 7 3HZ LYS 7 12.886 7.963 2.419 70 HZ2 LYS 7 1HZ LYS 7 11.975 7.804 0.996 71 HZ3 LYS 7 2HZ LYS 7 13.500 8.533 0.944 72 H ALA 8 HN ALA 8 8.988 5.531 4.752 73 HA ALA 8 HA ALA 8 9.408 2.723 4.992 74 HB1 ALA 8 1HB ALA 8 8.446 4.695 7.060 75 HB2 ALA 8 2HB ALA 8 10.127 4.295 6.717 76 HB3 ALA 8 3HB ALA 8 9.049 3.069 7.376 77 H ILE 9 HN ILE 9 6.565 4.814 5.337 78 HA ILE 9 HA ILE 9 4.793 2.795 6.192 79 HB ILE 9 HB ILE 9 4.166 5.371 4.745 80 HG12 ILE 9 2HG1 ILE 9 4.125 4.693 7.695 81 HG13 ILE 9 1HG1 ILE 9 5.363 5.650 6.896 82 HG21 ILE 9 1HG2 ILE 9 1.908 5.118 5.646 83 HG22 ILE 9 2HG2 ILE 9 2.345 3.548 6.320 84 HG23 ILE 9 3HG2 ILE 9 2.322 3.783 4.571 85 HD11 ILE 9 3HD1 ILE 9 3.833 7.089 8.059 86 HD12 ILE 9 1HD1 ILE 9 2.461 6.376 7.214 87 HD13 ILE 9 2HD1 ILE 9 3.649 7.325 6.320 88 H PHE 10 HN PHE 10 5.414 4.135 2.952 89 HA PHE 10 HA PHE 10 3.623 2.526 1.532 90 HB2 PHE 10 2HB PHE 10 4.759 4.459 0.535 91 HB3 PHE 10 1HB PHE 10 6.302 3.621 0.642 92 HD1 PHE 10 2HD PHE 10 2.968 3.504 -0.973 93 HD2 PHE 10 1HD PHE 10 7.017 2.189 -1.070 94 HE1 PHE 10 2HE PHE 10 2.610 2.567 -3.220 95 HE2 PHE 10 1HE PHE 10 6.663 1.252 -3.317 96 HZ PHE 10 HZ PHE 10 4.457 1.440 -4.393 97 H SER 11 HN SER 11 7.010 1.982 2.402 98 HA SER 11 HA SER 11 7.363 -0.473 1.112 99 HB2 SER 11 2HB SER 11 9.230 0.822 2.001 100 HB3 SER 11 1HB SER 11 8.645 0.578 3.643 101 HG SER 11 HG SER 11 9.730 -1.323 1.856 102 H GLU 12 HN GLU 12 6.493 0.207 4.500 103 HA GLU 12 HA GLU 12 6.308 -2.475 5.320 104 HB2 GLU 12 2HB GLU 12 6.511 -0.711 6.951 105 HB3 GLU 12 1HB GLU 12 5.009 0.022 6.415 106 HG2 GLU 12 2HG GLU 12 3.745 -1.853 7.248 107 HG3 GLU 12 1HG GLU 12 5.228 -2.698 7.683 108 H ASN 13 HN ASN 13 3.846 -0.206 4.198 109 HA ASN 13 HA ASN 13 1.620 -1.860 4.667 110 HB2 ASN 13 2HB ASN 13 1.834 0.698 3.996 111 HB3 ASN 13 1HB ASN 13 1.593 0.054 2.375 112 HD21 ASN 13 1HD2 ASN 13 -0.148 1.790 3.787 113 HD22 ASN 13 2HD2 ASN 13 -1.661 0.959 3.989 114 H LEU 14 HN LEU 14 3.315 -1.176 1.598 115 HA LEU 14 HA LEU 14 1.844 -2.997 0.045 116 HB2 LEU 14 2HB LEU 14 3.181 -1.175 -0.900 117 HB3 LEU 14 1HB LEU 14 4.650 -1.966 -0.367 118 HG LEU 14 HG LEU 14 4.159 -3.858 -1.891 119 HD11 LEU 14 1HD1 LEU 14 1.886 -2.105 -2.810 120 HD12 LEU 14 2HD1 LEU 14 1.743 -3.666 -2.000 121 HD13 LEU 14 3HD1 LEU 14 2.442 -3.571 -3.615 122 HD21 LEU 14 3HD2 LEU 14 5.641 -2.090 -2.620 123 HD22 LEU 14 1HD2 LEU 14 4.264 -1.132 -3.169 124 HD23 LEU 14 2HD2 LEU 14 4.658 -2.651 -3.973 125 H ASN 15 HN ASN 15 4.830 -3.355 1.877 126 HA ASN 15 HA ASN 15 5.651 -5.859 0.941 127 HB2 ASN 15 2HB ASN 15 6.827 -4.181 2.556 128 HB3 ASN 15 1HB ASN 15 5.980 -5.054 3.828 129 HD21 ASN 15 1HD2 ASN 15 8.553 -5.085 1.560 130 HD22 ASN 15 2HD2 ASN 15 9.249 -6.593 2.037 131 H SER 16 HN SER 16 3.259 -4.969 3.351 132 HA SER 16 HA SER 16 2.950 -7.527 4.514 133 HB2 SER 16 2HB SER 16 0.999 -5.216 4.388 134 HB3 SER 16 1HB SER 16 0.871 -6.606 5.465 135 HG SER 16 HG SER 16 2.900 -4.616 5.434 136 H TYR 17 HN TYR 17 1.230 -5.884 1.864 137 HA TYR 17 HA TYR 17 -0.704 -7.915 1.464 138 HB2 TYR 17 2HB TYR 17 0.397 -5.945 -0.561 139 HB3 TYR 17 1HB TYR 17 -1.069 -6.896 -0.752 140 HD1 TYR 17 2HD TYR 17 -2.965 -6.485 0.947 141 HD2 TYR 17 1HD TYR 17 0.317 -3.837 0.415 142 HE1 TYR 17 2HE TYR 17 -4.264 -4.675 1.992 143 HE2 TYR 17 1HE TYR 17 -0.971 -2.022 1.451 144 HH TYR 17 HH TYR 17 -3.107 -1.365 2.018 145 H ILE 18 HN ILE 18 2.474 -7.302 0.100 146 HA ILE 18 HA ILE 18 2.462 -9.407 -1.794 147 HB ILE 18 HB ILE 18 4.807 -8.016 -0.474 148 HG12 ILE 18 2HG1 ILE 18 3.530 -7.486 -3.164 149 HG13 ILE 18 1HG1 ILE 18 3.181 -6.551 -1.712 150 HG21 ILE 18 1HG2 ILE 18 5.483 -10.125 -1.490 151 HG22 ILE 18 2HG2 ILE 18 6.107 -8.755 -2.409 152 HG23 ILE 18 3HG2 ILE 18 4.713 -9.653 -3.005 153 HD11 ILE 18 3HD1 ILE 18 5.864 -6.804 -3.048 154 HD12 ILE 18 1HD1 ILE 18 5.518 -5.860 -1.598 155 HD13 ILE 18 2HD1 ILE 18 4.781 -5.413 -3.134 156 H ALA 19 HN ALA 19 3.540 -9.191 1.566 157 HA ALA 19 HA ALA 19 4.849 -11.699 1.639 158 HB1 ALA 19 1HB ALA 19 4.863 -11.400 4.057 159 HB2 ALA 19 2HB ALA 19 3.707 -10.077 3.906 160 HB3 ALA 19 3HB ALA 19 5.326 -9.915 3.226 161 H LYS 20 HN LYS 20 1.501 -10.756 2.108 162 HA LYS 20 HA LYS 20 0.786 -13.301 3.276 163 HB2 LYS 20 2HB LYS 20 -0.412 -11.099 3.722 164 HB3 LYS 20 1HB LYS 20 -1.139 -11.283 2.133 165 HG2 LYS 20 2HG LYS 20 -2.097 -13.430 2.826 166 HG3 LYS 20 1HG LYS 20 -1.393 -13.220 4.427 167 HD2 LYS 20 2HD LYS 20 -2.735 -11.176 4.723 168 HD3 LYS 20 1HD LYS 20 -3.469 -11.449 3.139 169 HE2 LYS 20 2HE LYS 20 -4.307 -13.621 3.923 170 HE3 LYS 20 1HE LYS 20 -3.616 -13.301 5.513 171 HZ1 LYS 20 3HZ LYS 20 -5.963 -12.802 5.482 172 HZ2 LYS 20 1HZ LYS 20 -5.759 -11.719 4.190 173 HZ3 LYS 20 2HZ LYS 20 -5.080 -11.372 5.707 174 H SER 21 HN SER 21 0.728 -11.791 0.141 175 HA SER 21 HA SER 21 -0.892 -13.678 -1.180 176 HB2 SER 21 2HB SER 21 1.253 -11.837 -2.263 177 HB3 SER 21 1HB SER 21 0.045 -12.674 -3.227 178 HG SER 21 HG SER 21 -0.329 -10.603 -1.338 179 H GLU 22 HN GLU 22 -0.380 -15.473 -2.402 180 HA GLU 22 HA GLU 22 1.997 -16.911 -1.677 181 HB2 GLU 22 2HB GLU 22 -0.038 -17.565 -3.815 182 HB3 GLU 22 1HB GLU 22 1.143 -18.669 -3.129 183 HG2 GLU 22 2HG GLU 22 0.041 -18.462 -0.947 184 HG3 GLU 22 1HG GLU 22 -1.168 -17.404 -1.678 185 H LYS 23 HN LYS 23 1.051 -14.816 -4.238 186 HA LYS 23 HA LYS 23 3.008 -15.708 -6.126 187 HB2 LYS 23 2HB LYS 23 0.938 -13.596 -5.996 188 HB3 LYS 23 1HB LYS 23 2.316 -13.267 -7.030 189 HG2 LYS 23 2HG LYS 23 0.426 -14.294 -8.234 190 HG3 LYS 23 1HG LYS 23 1.899 -15.260 -8.315 191 HD2 LYS 23 2HD LYS 23 1.036 -16.690 -6.506 192 HD3 LYS 23 1HD LYS 23 -0.451 -15.740 -6.481 193 HE2 LYS 23 2HE LYS 23 -0.969 -16.413 -8.738 194 HE3 LYS 23 1HE LYS 23 0.577 -17.250 -8.884 195 HZ1 LYS 23 3HZ LYS 23 -1.335 -18.734 -8.405 196 HZ2 LYS 23 1HZ LYS 23 -1.524 -17.967 -6.906 197 HZ3 LYS 23 2HZ LYS 23 -0.104 -18.831 -7.247 198 H THR 24 HN THR 24 4.993 -14.922 -6.500 199 HA THR 24 HA THR 24 6.236 -13.536 -4.303 200 HB THR 24 HB THR 24 8.332 -14.031 -5.505 201 HG1 THR 24 1HG THR 24 7.841 -15.581 -7.408 202 HG21 THR 24 3HG2 THR 24 6.427 -16.369 -5.293 203 HG22 THR 24 1HG2 THR 24 7.402 -15.700 -3.984 204 HG23 THR 24 2HG2 THR 24 8.186 -16.484 -5.356 205 H GLN 25 HN GLN 25 8.074 -11.991 -4.957 206 HA GLN 25 HA GLN 25 7.118 -9.610 -6.033 207 HB2 GLN 25 2HB GLN 25 9.963 -10.641 -5.980 208 HB3 GLN 25 1HB GLN 25 9.496 -8.970 -6.231 209 HG2 GLN 25 2HG GLN 25 8.613 -8.831 -3.995 210 HG3 GLN 25 1HG GLN 25 8.911 -10.550 -3.736 211 HE21 GLN 25 1HE2 GLN 25 10.338 -7.402 -3.968 212 HE22 GLN 25 2HE2 GLN 25 11.904 -7.834 -3.375 213 H LEU 26 HN LEU 26 8.713 -12.342 -7.483 214 HA LEU 26 HA LEU 26 9.207 -11.246 -10.030 215 HB2 LEU 26 2HB LEU 26 9.890 -13.528 -8.718 216 HB3 LEU 26 1HB LEU 26 8.685 -14.144 -9.834 217 HG LEU 26 HG LEU 26 11.107 -12.560 -10.652 218 HD11 LEU 26 1HD1 LEU 26 11.732 -14.707 -9.657 219 HD12 LEU 26 2HD1 LEU 26 12.057 -14.665 -11.390 220 HD13 LEU 26 3HD1 LEU 26 10.648 -15.533 -10.779 221 HD21 LEU 26 3HD2 LEU 26 10.579 -13.353 -12.900 222 HD22 LEU 26 1HD2 LEU 26 9.245 -12.414 -12.232 223 HD23 LEU 26 2HD2 LEU 26 9.148 -14.175 -12.280 224 H GLU 27 HN GLU 27 6.592 -13.327 -8.797 225 HA GLU 27 HA GLU 27 5.254 -13.616 -11.240 226 HB2 GLU 27 2HB GLU 27 4.253 -13.863 -8.402 227 HB3 GLU 27 1HB GLU 27 3.383 -14.410 -9.822 228 HG2 GLU 27 2HG GLU 27 6.083 -15.412 -8.965 229 HG3 GLU 27 1HG GLU 27 4.551 -16.227 -8.655 230 H ILE 28 HN ILE 28 4.903 -11.254 -8.637 231 HA ILE 28 HA ILE 28 2.563 -10.034 -9.681 232 HB ILE 28 HB ILE 28 4.676 -8.829 -7.881 233 HG12 ILE 28 2HG1 ILE 28 2.025 -10.132 -7.215 234 HG13 ILE 28 1HG1 ILE 28 3.605 -10.870 -6.970 235 HG21 ILE 28 1HG2 ILE 28 2.896 -7.244 -7.245 236 HG22 ILE 28 2HG2 ILE 28 1.857 -7.944 -8.487 237 HG23 ILE 28 3HG2 ILE 28 3.341 -7.110 -8.946 238 HD11 ILE 28 3HD1 ILE 28 2.608 -8.373 -5.619 239 HD12 ILE 28 1HD1 ILE 28 4.171 -9.144 -5.354 240 HD13 ILE 28 2HD1 ILE 28 2.689 -9.980 -4.898 241 H ALA 29 HN ALA 29 6.018 -9.186 -9.899 242 HA ALA 29 HA ALA 29 5.695 -6.932 -11.564 243 HB1 ALA 29 1HB ALA 29 8.066 -8.779 -11.315 244 HB2 ALA 29 2HB ALA 29 7.740 -7.376 -10.298 245 HB3 ALA 29 3HB ALA 29 8.084 -7.162 -12.015 246 H LYS 30 HN LYS 30 6.068 -10.347 -12.222 247 HA LYS 30 HA LYS 30 6.512 -10.356 -14.966 248 HB2 LYS 30 2HB LYS 30 6.682 -12.322 -13.549 249 HB3 LYS 30 1HB LYS 30 4.960 -12.274 -13.221 250 HG2 LYS 30 2HG LYS 30 4.541 -12.752 -15.616 251 HG3 LYS 30 1HG LYS 30 6.287 -12.916 -15.844 252 HD2 LYS 30 2HD LYS 30 6.347 -14.703 -14.190 253 HD3 LYS 30 1HD LYS 30 4.614 -14.533 -13.923 254 HE2 LYS 30 2HE LYS 30 4.209 -15.165 -16.258 255 HE3 LYS 30 1HE LYS 30 5.945 -15.368 -16.498 256 HZ1 LYS 30 3HZ LYS 30 4.266 -16.896 -14.579 257 HZ2 LYS 30 1HZ LYS 30 5.936 -17.090 -14.801 258 HZ3 LYS 30 2HZ LYS 30 4.860 -17.480 -16.053 259 H SER 31 HN SER 31 3.480 -10.093 -13.165 260 HA SER 31 HA SER 31 1.856 -10.237 -15.535 261 HB2 SER 31 2HB SER 31 1.087 -11.043 -13.298 262 HB3 SER 31 1HB SER 31 1.055 -9.365 -12.749 263 HG SER 31 HG SER 31 -0.399 -9.038 -14.640 264 H ILE 32 HN ILE 32 3.410 -7.740 -13.709 265 HA ILE 32 HA ILE 32 1.792 -5.608 -14.802 266 HB ILE 32 HB ILE 32 4.382 -5.453 -13.247 267 HG12 ILE 32 2HG1 ILE 32 1.529 -5.035 -12.329 268 HG13 ILE 32 1HG1 ILE 32 2.487 -6.476 -12.007 269 HG21 ILE 32 1HG2 ILE 32 3.754 -3.102 -12.859 270 HG22 ILE 32 2HG2 ILE 32 2.393 -3.303 -13.962 271 HG23 ILE 32 3HG2 ILE 32 4.043 -3.451 -14.563 272 HD11 ILE 32 3HD1 ILE 32 2.424 -4.999 -10.087 273 HD12 ILE 32 1HD1 ILE 32 3.111 -3.692 -11.052 274 HD13 ILE 32 2HD1 ILE 32 4.064 -5.139 -10.718 275 H GLY 33 HN GLY 33 5.077 -6.875 -15.266 276 HA2 GLY 33 2HA GLY 33 5.854 -6.956 -17.609 277 HA3 GLY 33 1HA GLY 33 5.182 -5.346 -17.800 278 H VAL 34 HN VAL 34 6.529 -5.550 -14.781 279 HA VAL 34 HA VAL 34 8.953 -4.203 -15.728 280 HB VAL 34 HB VAL 34 9.207 -3.389 -13.406 281 HG11 VAL 34 1HG1 VAL 34 6.529 -2.796 -14.659 282 HG12 VAL 34 2HG1 VAL 34 8.056 -2.003 -15.037 283 HG13 VAL 34 3HG1 VAL 34 7.330 -1.803 -13.443 284 HG21 VAL 34 3HG2 VAL 34 6.517 -4.679 -12.935 285 HG22 VAL 34 1HG2 VAL 34 7.392 -3.654 -11.798 286 HG23 VAL 34 2HG2 VAL 34 8.050 -5.224 -12.256 287 H SER 35 HN SER 35 10.993 -4.698 -14.695 288 HA SER 35 HA SER 35 11.438 -7.495 -14.505 289 HB2 SER 35 2HB SER 35 13.307 -5.237 -13.747 290 HB3 SER 35 1HB SER 35 13.762 -6.897 -14.134 291 HG SER 35 HG SER 35 12.577 -6.371 -16.231 292 HA PRO 36 HA PRO 36 10.772 -8.442 -10.236 293 HB2 PRO 36 2HB PRO 36 13.422 -9.798 -10.340 294 HB3 PRO 36 1HB PRO 36 11.855 -10.428 -9.822 295 HG2 PRO 36 2HG PRO 36 12.885 -11.115 -12.181 296 HG3 PRO 36 1HG PRO 36 11.146 -10.824 -11.994 297 HD2 PRO 36 2HD PRO 36 13.239 -9.091 -13.229 298 HD3 PRO 36 1HD PRO 36 11.543 -9.323 -13.700 299 H GLN 37 HN GLN 37 14.000 -7.331 -11.184 300 HA GLN 37 HA GLN 37 14.850 -6.524 -8.612 301 HB2 GLN 37 2HB GLN 37 15.692 -5.681 -11.381 302 HB3 GLN 37 1HB GLN 37 16.457 -5.066 -9.923 303 HG2 GLN 37 2HG GLN 37 17.087 -7.335 -9.290 304 HG3 GLN 37 1HG GLN 37 16.304 -7.956 -10.741 305 HE21 GLN 37 1HE2 GLN 37 17.237 -7.577 -12.745 306 HE22 GLN 37 2HE2 GLN 37 18.892 -7.098 -12.907 307 H THR 38 HN THR 38 12.877 -4.983 -11.043 308 HA THR 38 HA THR 38 13.112 -2.325 -10.010 309 HB THR 38 HB THR 38 10.846 -3.405 -11.695 310 HG1 THR 38 1HG THR 38 13.221 -2.261 -12.759 311 HG21 THR 38 3HG2 THR 38 10.542 -1.140 -10.817 312 HG22 THR 38 1HG2 THR 38 10.766 -1.113 -12.567 313 HG23 THR 38 2HG2 THR 38 12.097 -0.660 -11.501 314 H PHE 39 HN PHE 39 10.766 -4.937 -9.833 315 HA PHE 39 HA PHE 39 8.931 -3.668 -8.106 316 HB2 PHE 39 2HB PHE 39 8.537 -5.724 -9.521 317 HB3 PHE 39 1HB PHE 39 9.469 -6.629 -8.335 318 HD1 PHE 39 2HD PHE 39 6.409 -4.588 -8.755 319 HD2 PHE 39 1HD PHE 39 8.517 -7.394 -6.355 320 HE1 PHE 39 2HE PHE 39 4.399 -4.907 -7.371 321 HE2 PHE 39 1HE PHE 39 6.518 -7.717 -4.962 322 HZ PHE 39 HZ PHE 39 4.455 -6.474 -5.467 323 H ASN 40 HN ASN 40 11.830 -5.560 -7.601 324 HA ASN 40 HA ASN 40 11.596 -6.127 -4.885 325 HB2 ASN 40 2HB ASN 40 13.338 -7.077 -6.368 326 HB3 ASN 40 1HB ASN 40 14.138 -5.509 -6.408 327 HD21 ASN 40 1HD2 ASN 40 15.998 -6.037 -5.433 328 HD22 ASN 40 2HD2 ASN 40 16.112 -6.579 -3.786 329 H THR 41 HN THR 41 12.921 -3.244 -6.502 330 HA THR 41 HA THR 41 13.899 -2.025 -4.159 331 HB THR 41 HB THR 41 13.996 0.063 -5.425 332 HG1 THR 41 1HG THR 41 12.433 -1.380 -7.328 333 HG21 THR 41 3HG2 THR 41 15.764 -1.558 -5.786 334 HG22 THR 41 1HG2 THR 41 15.406 -0.712 -7.292 335 HG23 THR 41 2HG2 THR 41 14.810 -2.354 -7.040 336 H TRP 42 HN TRP 42 10.717 -2.054 -5.628 337 HA TRP 42 HA TRP 42 9.650 0.032 -3.987 338 HB2 TRP 42 2HB TRP 42 8.178 -2.170 -5.454 339 HB3 TRP 42 1HB TRP 42 7.467 -0.693 -4.815 340 HD1 TRP 42 1HD TRP 42 10.029 1.117 -6.016 341 HE1 TRP 42 1HE TRP 42 9.918 1.705 -8.518 342 HE3 TRP 42 3HE TRP 42 6.706 -2.452 -7.544 343 HZ2 TRP 42 2HZ TRP 42 8.587 0.791 -10.829 344 HZ3 TRP 42 3HZ TRP 42 6.061 -2.525 -9.918 345 HH2 TRP 42 2HH TRP 42 6.984 -0.937 -11.527 346 H CYS 43 HN CYS 43 9.647 -3.491 -3.882 347 HA CYS 43 HA CYS 43 8.023 -3.746 -1.573 348 HB2 CYS 43 2HB CYS 43 8.420 -5.554 -3.243 349 HB3 CYS 43 1HB CYS 43 10.078 -5.677 -2.674 350 HG CYS 43 HG CYS 43 8.619 -6.062 0.046 351 H LYS 44 HN LYS 44 11.512 -3.530 -2.072 352 HA LYS 44 HA LYS 44 12.190 -3.852 0.671 353 HB2 LYS 44 2HB LYS 44 13.504 -3.836 -1.748 354 HB3 LYS 44 1HB LYS 44 14.034 -2.332 -1.013 355 HG2 LYS 44 2HG LYS 44 14.138 -4.898 0.509 356 HG3 LYS 44 1HG LYS 44 15.399 -4.452 -0.634 357 HD2 LYS 44 2HD LYS 44 15.846 -2.419 0.586 358 HD3 LYS 44 1HD LYS 44 14.493 -2.740 1.672 359 HE2 LYS 44 2HE LYS 44 16.943 -4.475 1.386 360 HE3 LYS 44 1HE LYS 44 16.677 -3.297 2.671 361 HZ1 LYS 44 3HZ LYS 44 16.115 -5.529 3.388 362 HZ2 LYS 44 1HZ LYS 44 14.985 -5.684 2.137 363 HZ3 LYS 44 2HZ LYS 44 14.735 -4.549 3.372 364 H GLY 45 HN GLY 45 10.744 -1.338 -1.059 365 HA2 GLY 45 2HA GLY 45 10.161 0.796 -0.430 366 HA3 GLY 45 1HA GLY 45 10.793 0.428 1.167 367 H ILE 46 HN ILE 46 12.563 0.359 -1.879 368 HA ILE 46 HA ILE 46 14.540 2.154 -0.758 369 HB ILE 46 HB ILE 46 14.426 0.785 -3.451 370 HG12 ILE 46 2HG1 ILE 46 16.081 0.162 -0.996 371 HG13 ILE 46 1HG1 ILE 46 14.652 -0.729 -1.504 372 HG21 ILE 46 1HG2 ILE 46 15.749 2.824 -3.576 373 HG22 ILE 46 2HG2 ILE 46 16.787 1.400 -3.675 374 HG23 ILE 46 3HG2 ILE 46 16.688 2.317 -2.172 375 HD11 ILE 46 3HD1 ILE 46 16.677 -1.898 -2.138 376 HD12 ILE 46 1HD1 ILE 46 17.228 -0.487 -3.039 377 HD13 ILE 46 2HD1 ILE 46 15.796 -1.366 -3.570 378 H ALA 47 HN ALA 47 12.169 2.128 -3.367 379 HA ALA 47 HA ALA 47 12.180 5.029 -3.415 380 HB1 ALA 47 1HB ALA 47 13.925 4.422 -5.033 381 HB2 ALA 47 2HB ALA 47 12.538 5.172 -5.823 382 HB3 ALA 47 3HB ALA 47 12.762 3.426 -5.906 383 H ILE 48 HN ILE 48 10.328 5.909 -4.427 384 HA ILE 48 HA ILE 48 8.121 4.000 -4.761 385 HB ILE 48 HB ILE 48 8.081 6.976 -4.212 386 HG12 ILE 48 2HG1 ILE 48 7.134 4.654 -2.527 387 HG13 ILE 48 1HG1 ILE 48 8.689 5.451 -2.325 388 HG21 ILE 48 1HG2 ILE 48 6.209 6.392 -5.649 389 HG22 ILE 48 2HG2 ILE 48 5.636 6.722 -4.013 390 HG23 ILE 48 3HG2 ILE 48 5.780 5.059 -4.578 391 HD11 ILE 48 3HD1 ILE 48 5.993 6.757 -2.019 392 HD12 ILE 48 1HD1 ILE 48 7.555 7.534 -1.775 393 HD13 ILE 48 2HD1 ILE 48 7.040 6.232 -0.702 394 HA PRO 49 HA PRO 49 8.475 4.662 -9.128 395 HB2 PRO 49 2HB PRO 49 6.152 3.447 -9.844 396 HB3 PRO 49 1HB PRO 49 7.591 2.552 -9.343 397 HG2 PRO 49 2HG PRO 49 5.177 3.306 -7.733 398 HG3 PRO 49 1HG PRO 49 6.018 1.746 -7.815 399 HD2 PRO 49 2HD PRO 49 6.429 3.463 -5.783 400 HD3 PRO 49 1HD PRO 49 7.742 2.460 -6.443 401 H ARG 50 HN ARG 50 6.905 5.346 -10.963 402 HA ARG 50 HA ARG 50 5.808 7.907 -10.213 403 HB2 ARG 50 2HB ARG 50 5.881 6.482 -12.878 404 HB3 ARG 50 1HB ARG 50 5.325 8.133 -12.637 405 HG2 ARG 50 2HG ARG 50 8.106 7.087 -12.160 406 HG3 ARG 50 1HG ARG 50 7.582 8.138 -13.480 407 HD2 ARG 50 2HD ARG 50 6.973 9.861 -11.838 408 HD3 ARG 50 1HD ARG 50 7.550 8.815 -10.541 409 HE ARG 50 HE ARG 50 9.448 9.493 -12.648 410 HH11 ARG 50 1HH1 ARG 50 8.307 10.010 -9.364 411 HH12 ARG 50 2HH1 ARG 50 9.732 10.880 -8.881 412 HH21 ARG 50 1HH2 ARG 50 11.328 10.634 -11.989 413 HH22 ARG 50 2HH2 ARG 50 11.432 11.236 -10.355 414 H MET 51 HN MET 51 3.633 8.573 -10.958 415 HA MET 51 HA MET 51 1.689 7.118 -9.625 416 HB2 MET 51 2HB MET 51 0.035 8.597 -10.693 417 HB3 MET 51 1HB MET 51 1.418 9.487 -10.080 418 HG2 MET 51 2HG MET 51 2.337 9.636 -12.331 419 HG3 MET 51 1HG MET 51 0.966 8.721 -12.956 420 HE1 MET 51 3HE MET 51 0.579 12.918 -11.077 421 HE2 MET 51 1HE MET 51 2.106 12.048 -11.210 422 HE3 MET 51 2HE MET 51 0.849 11.460 -10.121 423 H GLY 52 HN GLY 52 2.620 6.925 -13.010 424 HA2 GLY 52 2HA GLY 52 0.383 5.507 -13.958 425 HA3 GLY 52 1HA GLY 52 1.981 5.493 -14.687 426 H LYS 53 HN LYS 53 3.344 4.386 -12.405 427 HA LYS 53 HA LYS 53 2.567 1.619 -12.835 428 HB2 LYS 53 2HB LYS 53 5.015 2.898 -11.636 429 HB3 LYS 53 1HB LYS 53 4.734 1.162 -11.576 430 HG2 LYS 53 2HG LYS 53 4.634 1.094 -14.017 431 HG3 LYS 53 1HG LYS 53 4.917 2.833 -14.076 432 HD2 LYS 53 2HD LYS 53 7.101 2.558 -13.098 433 HD3 LYS 53 1HD LYS 53 6.815 0.833 -12.857 434 HE2 LYS 53 2HE LYS 53 8.225 1.303 -14.830 435 HE3 LYS 53 1HE LYS 53 6.729 0.467 -15.238 436 HZ1 LYS 53 3HZ LYS 53 7.185 3.393 -15.522 437 HZ2 LYS 53 1HZ LYS 53 5.778 2.555 -15.968 438 HZ3 LYS 53 2HZ LYS 53 7.230 2.268 -16.787 439 H VAL 54 HN VAL 54 2.611 4.009 -10.280 440 HA VAL 54 HA VAL 54 1.987 2.281 -8.131 441 HB VAL 54 HB VAL 54 1.111 5.153 -8.559 442 HG11 VAL 54 1HG1 VAL 54 -0.288 4.074 -6.891 443 HG12 VAL 54 2HG1 VAL 54 0.814 5.214 -6.115 444 HG13 VAL 54 3HG1 VAL 54 1.143 3.483 -6.047 445 HG21 VAL 54 3HG2 VAL 54 3.538 4.896 -8.563 446 HG22 VAL 54 1HG2 VAL 54 3.454 4.027 -7.030 447 HG23 VAL 54 2HG2 VAL 54 2.992 5.728 -7.106 448 H GLN 55 HN GLN 55 0.013 3.931 -10.541 449 HA GLN 55 HA GLN 55 -2.514 3.078 -9.704 450 HB2 GLN 55 2HB GLN 55 -2.167 4.799 -11.411 451 HB3 GLN 55 1HB GLN 55 -1.498 3.599 -12.507 452 HG2 GLN 55 2HG GLN 55 -3.766 4.124 -13.127 453 HG3 GLN 55 1HG GLN 55 -3.665 2.458 -12.569 454 HE21 GLN 55 1HE2 GLN 55 -4.651 1.884 -10.625 455 HE22 GLN 55 2HE2 GLN 55 -5.795 2.913 -9.834 456 H ALA 56 HN ALA 56 -0.077 1.515 -11.709 457 HA ALA 56 HA ALA 56 -1.625 -0.703 -12.503 458 HB1 ALA 56 1HB ALA 56 0.468 -1.742 -13.138 459 HB2 ALA 56 2HB ALA 56 1.369 -0.572 -12.173 460 HB3 ALA 56 3HB ALA 56 0.476 -0.038 -13.596 461 H LEU 57 HN LEU 57 0.547 -0.180 -9.755 462 HA LEU 57 HA LEU 57 0.403 -2.745 -8.631 463 HB2 LEU 57 2HB LEU 57 0.751 -0.059 -7.297 464 HB3 LEU 57 1HB LEU 57 1.022 -1.599 -6.512 465 HG LEU 57 HG LEU 57 2.577 -0.583 -8.891 466 HD11 LEU 57 1HD1 LEU 57 4.403 -0.245 -7.320 467 HD12 LEU 57 2HD1 LEU 57 3.367 -0.754 -5.987 468 HD13 LEU 57 3HD1 LEU 57 3.006 0.731 -6.866 469 HD21 LEU 57 3HD2 LEU 57 3.007 -2.975 -7.106 470 HD22 LEU 57 1HD2 LEU 57 4.065 -2.461 -8.421 471 HD23 LEU 57 2HD2 LEU 57 2.429 -3.024 -8.771 472 H ALA 58 HN ALA 58 -1.521 0.176 -7.987 473 HA ALA 58 HA ALA 58 -3.232 -0.980 -6.077 474 HB1 ALA 58 1HB ALA 58 -4.674 0.948 -6.462 475 HB2 ALA 58 2HB ALA 58 -3.774 1.342 -7.927 476 HB3 ALA 58 3HB ALA 58 -2.982 1.438 -6.354 477 H ASP 59 HN ASP 59 -3.327 -0.914 -9.571 478 HA ASP 59 HA ASP 59 -6.004 -1.862 -9.824 479 HB2 ASP 59 2HB ASP 59 -4.841 -0.625 -11.624 480 HB3 ASP 59 1HB ASP 59 -3.722 -1.971 -11.808 481 H TYR 60 HN TYR 60 -2.821 -3.375 -9.856 482 HA TYR 60 HA TYR 60 -3.585 -5.986 -10.501 483 HB2 TYR 60 2HB TYR 60 -1.258 -5.243 -10.501 484 HB3 TYR 60 1HB TYR 60 -1.307 -5.035 -8.757 485 HD1 TYR 60 1HD TYR 60 -1.288 -7.515 -11.485 486 HD2 TYR 60 2HD TYR 60 -1.056 -6.907 -7.282 487 HE1 TYR 60 1HE TYR 60 -0.526 -9.836 -11.195 488 HE2 TYR 60 2HE TYR 60 -0.296 -9.225 -6.981 489 HH TYR 60 HH TYR 60 0.720 -11.180 -9.576 490 H PHE 61 HN PHE 61 -3.333 -4.382 -7.362 491 HA PHE 61 HA PHE 61 -4.166 -6.797 -5.978 492 HB2 PHE 61 2HB PHE 61 -3.353 -4.055 -5.031 493 HB3 PHE 61 1HB PHE 61 -3.973 -5.284 -3.938 494 HD1 PHE 61 1HD PHE 61 -2.724 -7.453 -3.720 495 HD2 PHE 61 2HD PHE 61 -1.105 -4.056 -5.709 496 HE1 PHE 61 1HE PHE 61 -0.464 -8.392 -3.479 497 HE2 PHE 61 2HE PHE 61 1.158 -4.992 -5.467 498 HZ PHE 61 HZ PHE 61 1.479 -7.161 -4.353 499 H ASN 62 HN ASN 62 -5.673 -4.285 -7.518 500 HA ASN 62 HA ASN 62 -7.741 -3.377 -7.546 501 HB2 ASN 62 2HB ASN 62 -8.412 -5.770 -7.734 502 HB3 ASN 62 1HB ASN 62 -8.556 -5.842 -5.981 503 HD21 ASN 62 1HD2 ASN 62 -10.726 -6.376 -6.085 504 HD22 ASN 62 2HD2 ASN 62 -11.939 -5.203 -6.482 505 H ILE 63 HN ILE 63 -6.351 -2.049 -5.924 506 HA ILE 63 HA ILE 63 -8.046 -1.584 -3.565 507 HB ILE 63 HB ILE 63 -6.006 -0.951 -2.273 508 HG12 ILE 63 2HG1 ILE 63 -4.541 -2.322 -4.543 509 HG13 ILE 63 1HG1 ILE 63 -4.502 -0.596 -4.207 510 HG21 ILE 63 1HG2 ILE 63 -5.309 -3.254 -1.758 511 HG22 ILE 63 2HG2 ILE 63 -6.135 -3.811 -3.215 512 HG23 ILE 63 3HG2 ILE 63 -7.062 -3.098 -1.895 513 HD11 ILE 63 3HD1 ILE 63 -2.496 -1.731 -3.415 514 HD12 ILE 63 1HD1 ILE 63 -3.486 -2.756 -2.378 515 HD13 ILE 63 2HD1 ILE 63 -3.405 -1.021 -2.082 516 H ASN 64 HN ASN 64 -7.253 0.653 -2.577 517 HA ASN 64 HA ASN 64 -7.337 2.561 -4.796 518 HB2 ASN 64 2HB ASN 64 -7.674 3.092 -1.833 519 HB3 ASN 64 1HB ASN 64 -8.057 4.193 -3.154 520 HD21 ASN 64 1HD2 ASN 64 -9.014 1.369 -1.398 521 HD22 ASN 64 2HD2 ASN 64 -10.631 1.275 -2.024 522 H LYS 65 HN LYS 65 -6.044 4.631 -4.404 523 HA LYS 65 HA LYS 65 -3.303 3.995 -4.113 524 HB2 LYS 65 2HB LYS 65 -2.900 6.403 -4.284 525 HB3 LYS 65 1HB LYS 65 -4.066 5.880 -5.488 526 HG2 LYS 65 2HG LYS 65 -5.887 6.746 -4.115 527 HG3 LYS 65 1HG LYS 65 -4.727 7.245 -2.883 528 HD2 LYS 65 2HD LYS 65 -4.824 8.263 -5.723 529 HD3 LYS 65 1HD LYS 65 -5.424 9.121 -4.304 530 HE2 LYS 65 2HE LYS 65 -3.155 9.126 -3.362 531 HE3 LYS 65 1HE LYS 65 -2.567 8.299 -4.806 532 HZ1 LYS 65 3HZ LYS 65 -2.164 10.671 -4.943 533 HZ2 LYS 65 1HZ LYS 65 -3.816 10.995 -4.728 534 HZ3 LYS 65 2HZ LYS 65 -3.280 10.202 -6.127 535 H SER 66 HN SER 66 -5.730 5.169 -1.919 536 HA SER 66 HA SER 66 -3.937 6.022 0.117 537 HB2 SER 66 2HB SER 66 -6.871 5.318 0.314 538 HB3 SER 66 1HB SER 66 -5.945 6.290 1.461 539 HG SER 66 HG SER 66 -7.018 7.689 0.089 540 H ASP 67 HN ASP 67 -5.192 2.950 -0.813 541 HA ASP 67 HA ASP 67 -5.140 1.631 1.688 542 HB2 ASP 67 2HB ASP 67 -5.025 0.664 -1.150 543 HB3 ASP 67 1HB ASP 67 -4.762 -0.460 0.177 544 H LEU 68 HN LEU 68 -2.651 2.561 -0.498 545 HA LEU 68 HA LEU 68 -0.676 0.841 0.787 546 HB2 LEU 68 2HB LEU 68 -0.453 2.776 -1.519 547 HB3 LEU 68 1HB LEU 68 0.881 1.825 -0.894 548 HG LEU 68 HG LEU 68 -1.632 0.703 -2.136 549 HD11 LEU 68 1HD1 LEU 68 1.184 0.881 -3.202 550 HD12 LEU 68 2HD1 LEU 68 -0.207 1.797 -3.779 551 HD13 LEU 68 3HD1 LEU 68 -0.163 0.045 -3.978 552 HD21 LEU 68 3HD2 LEU 68 0.881 -0.659 -1.171 553 HD22 LEU 68 1HD2 LEU 68 -0.441 -1.438 -2.042 554 HD23 LEU 68 2HD2 LEU 68 -0.717 -0.772 -0.432 555 H ILE 69 HN ILE 69 -1.916 4.001 1.050 556 HA ILE 69 HA ILE 69 0.602 5.119 2.013 557 HB ILE 69 HB ILE 69 -2.024 6.496 1.430 558 HG12 ILE 69 2HG1 ILE 69 0.575 6.438 -0.127 559 HG13 ILE 69 1HG1 ILE 69 -0.897 5.576 -0.569 560 HG21 ILE 69 1HG2 ILE 69 0.680 7.679 2.059 561 HG22 ILE 69 2HG2 ILE 69 -0.718 7.671 3.134 562 HG23 ILE 69 3HG2 ILE 69 -0.773 8.580 1.623 563 HD11 ILE 69 3HD1 ILE 69 -2.055 7.720 -0.833 564 HD12 ILE 69 1HD1 ILE 69 -0.648 7.587 -1.888 565 HD13 ILE 69 2HD1 ILE 69 -0.561 8.564 -0.421 566 H GLU 70 HN GLU 70 -2.535 4.122 3.245 567 HA GLU 70 HA GLU 70 -2.456 5.750 5.544 568 HB2 GLU 70 2HB GLU 70 -4.239 4.184 6.376 569 HB3 GLU 70 1HB GLU 70 -4.580 5.034 4.891 570 HG2 GLU 70 2HG GLU 70 -5.374 2.859 4.570 571 HG3 GLU 70 1HG GLU 70 -3.853 2.931 3.686 572 H ASP 71 HN ASP 71 -1.925 5.356 7.619 573 HA ASP 71 HA ASP 71 -0.206 3.018 8.081 574 HB2 ASP 71 2HB ASP 71 0.811 5.234 8.517 575 HB3 ASP 71 1HB ASP 71 -0.442 5.559 9.711 576 H LYS 72 HN LYS 72 -0.396 1.962 10.225 577 HA LYS 72 HA LYS 72 -3.229 1.418 10.542 578 HB2 LYS 72 2HB LYS 72 -0.806 -0.055 11.582 579 HB3 LYS 72 1HB LYS 72 -2.469 -0.582 11.806 580 HG2 LYS 72 2HG LYS 72 -1.749 -1.838 9.996 581 HG3 LYS 72 1HG LYS 72 -2.622 -0.506 9.236 582 HD2 LYS 72 2HD LYS 72 -0.328 0.647 9.101 583 HD3 LYS 72 1HD LYS 72 0.341 -0.953 9.426 584 HE2 LYS 72 2HE LYS 72 0.328 -0.724 7.078 585 HE3 LYS 72 1HE LYS 72 -1.031 -1.778 7.465 586 HZ1 LYS 72 3HZ LYS 72 -2.490 0.193 7.303 587 HZ2 LYS 72 1HZ LYS 72 -1.707 -0.159 5.847 588 HZ3 LYS 72 2HZ LYS 72 -1.164 1.118 6.808 589 H LYS 73 HN LYS 73 -1.334 3.605 11.889 590 HA LYS 73 HA LYS 73 -2.275 3.310 14.614 591 HB2 LYS 73 2HB LYS 73 0.032 4.162 13.929 592 HB3 LYS 73 1HB LYS 73 -0.774 5.632 13.409 593 HG2 LYS 73 2HG LYS 73 -1.481 4.873 16.118 594 HG3 LYS 73 1HG LYS 73 0.249 5.116 15.897 595 HD2 LYS 73 2HD LYS 73 -0.131 7.334 15.018 596 HD3 LYS 73 1HD LYS 73 -1.876 7.092 15.073 597 HE2 LYS 73 2HE LYS 73 -1.745 6.867 17.520 598 HE3 LYS 73 1HE LYS 73 -0.009 7.167 17.439 599 HZ1 LYS 73 3HZ LYS 73 -2.102 9.072 16.526 600 HZ2 LYS 73 1HZ LYS 73 -0.431 9.357 16.568 601 HZ3 LYS 73 2HZ LYS 73 -1.295 9.162 18.017 602 H LEU 74 HN LEU 74 -3.851 3.980 12.006 603 HA LEU 74 HA LEU 74 -4.987 6.544 12.511 604 HB2 LEU 74 2HB LEU 74 -5.710 4.298 10.648 605 HB3 LEU 74 1HB LEU 74 -6.681 5.743 10.789 606 HG LEU 74 HG LEU 74 -3.805 5.630 9.899 607 HD11 LEU 74 1HD1 LEU 74 -5.342 4.755 8.238 608 HD12 LEU 74 2HD1 LEU 74 -4.709 6.320 7.729 609 HD13 LEU 74 3HD1 LEU 74 -6.345 6.198 8.379 610 HD21 LEU 74 3HD2 LEU 74 -5.687 7.979 10.114 611 HD22 LEU 74 1HD2 LEU 74 -4.073 8.013 9.404 612 HD23 LEU 74 2HD2 LEU 74 -4.273 7.683 11.124 613 H ASN 75 HN ASN 75 -5.511 6.120 14.751 614 HA ASN 75 HA ASN 75 -8.059 4.704 15.090 615 HB2 ASN 75 2HB ASN 75 -6.165 5.823 17.181 616 HB3 ASN 75 1HB ASN 75 -7.647 4.932 17.517 617 HD21 ASN 75 1HD2 ASN 75 -4.336 4.738 16.596 618 HD22 ASN 75 2HD2 ASN 75 -4.218 3.004 16.581 619 H ILE 76 HN ILE 76 -9.034 6.178 17.257 620 HA ILE 76 HA ILE 76 -10.186 8.387 15.878 621 HB ILE 76 HB ILE 76 -10.334 7.884 18.848 622 HG12 ILE 76 2HG1 ILE 76 -12.658 6.933 18.171 623 HG13 ILE 76 1HG1 ILE 76 -11.936 6.726 16.580 624 HG21 ILE 76 1HG2 ILE 76 -11.018 10.113 18.191 625 HG22 ILE 76 2HG2 ILE 76 -12.420 9.170 18.699 626 HG23 ILE 76 3HG2 ILE 76 -12.114 9.441 16.983 627 HD11 ILE 76 3HD1 ILE 76 -10.212 5.295 17.567 628 HD12 ILE 76 1HD1 ILE 76 -11.835 4.667 17.845 629 HD13 ILE 76 2HD1 ILE 76 -10.970 5.483 19.146 630 H ASP 77 HN ASP 77 -9.233 10.199 15.536 631 HA ASP 77 HA ASP 77 -7.813 11.664 17.560 632 HB2 ASP 77 2HB ASP 77 -6.037 10.146 16.776 633 HB3 ASP 77 1HB ASP 77 -6.323 10.660 15.117 634 H THR 78 HN THR 78 -8.900 13.495 17.267 635 HA THR 78 HA THR 78 -9.866 14.217 14.652 636 HB THR 78 HB THR 78 -11.388 14.512 16.494 637 HG1 THR 78 1HG THR 78 -11.312 17.106 16.269 638 HG21 THR 78 3HG2 THR 78 -9.829 14.848 18.321 639 HG22 THR 78 1HG2 THR 78 -10.976 16.184 18.265 640 HG23 THR 78 2HG2 THR 78 -9.339 16.404 17.652 641 H VAL 79 HN VAL 79 -8.994 15.594 13.310 642 HA VAL 79 HA VAL 79 -7.020 17.543 14.307 643 HB VAL 79 HB VAL 79 -7.134 16.416 11.497 644 HG11 VAL 79 1HG1 VAL 79 -4.964 17.484 11.220 645 HG12 VAL 79 2HG1 VAL 79 -5.041 18.094 12.873 646 HG13 VAL 79 3HG1 VAL 79 -6.194 18.666 11.668 647 HG21 VAL 79 3HG2 VAL 79 -5.215 15.714 13.720 648 HG22 VAL 79 1HG2 VAL 79 -5.130 15.138 12.056 649 HG23 VAL 79 2HG2 VAL 79 -6.482 14.665 13.084 650 HA PRO 80 HA PRO 80 -10.806 19.691 12.945 651 HB2 PRO 80 2HB PRO 80 -10.568 21.811 14.622 652 HB3 PRO 80 1HB PRO 80 -11.233 20.252 15.120 653 HG2 PRO 80 2HG PRO 80 -8.499 21.375 15.551 654 HG3 PRO 80 1HG PRO 80 -9.519 20.447 16.665 655 HD2 PRO 80 2HD PRO 80 -7.454 19.359 15.257 656 HD3 PRO 80 1HD PRO 80 -8.881 18.435 15.765 657 H ILE 81 HN ILE 81 -9.731 20.071 10.878 658 HA ILE 81 HA ILE 81 -8.205 22.484 10.548 659 HB ILE 81 HB ILE 81 -9.649 20.892 8.434 660 HG12 ILE 81 2HG1 ILE 81 -8.052 19.469 9.618 661 HG13 ILE 81 1HG1 ILE 81 -7.458 19.824 7.999 662 HG21 ILE 81 1HG2 ILE 81 -8.063 21.936 6.883 663 HG22 ILE 81 2HG2 ILE 81 -7.411 22.891 8.217 664 HG23 ILE 81 3HG2 ILE 81 -9.080 23.124 7.700 665 HD11 ILE 81 3HD1 ILE 81 -5.971 21.527 8.935 666 HD12 ILE 81 1HD1 ILE 81 -5.669 19.931 9.625 667 HD13 ILE 81 2HD1 ILE 81 -6.558 21.140 10.552 668 H GLU 82 HN GLU 82 -8.975 24.443 10.412 669 HA GLU 82 HA GLU 82 -11.796 24.867 10.748 670 HB2 GLU 82 2HB GLU 82 -10.040 26.156 11.962 671 HB3 GLU 82 1HB GLU 82 -9.592 26.910 10.437 672 HG2 GLU 82 2HG GLU 82 -11.707 27.989 10.265 673 HG3 GLU 82 1HG GLU 82 -12.343 27.079 11.634 674 H SER 83 HN SER 83 -13.171 25.013 9.139 675 HA SER 83 HA SER 83 -12.162 25.704 6.476 676 HB2 SER 83 2HB SER 83 -14.810 24.430 7.207 677 HB3 SER 83 1HB SER 83 -14.086 24.542 5.602 678 HG SER 83 HG SER 83 -12.579 23.320 7.606 679 H GLY 84 HN GLY 84 -12.384 27.785 5.983 680 HA2 GLY 84 2HA GLY 84 -14.274 29.486 7.304 681 HA3 GLY 84 1HA GLY 84 -13.184 29.950 6.005 682 H TYR 85 HN TYR 85 -15.968 30.674 6.379 683 HA TYR 85 HA TYR 85 -17.316 29.232 4.216 684 HB2 TYR 85 2HB TYR 85 -18.498 29.690 6.400 685 HB3 TYR 85 1HB TYR 85 -18.439 31.402 5.998 686 HD1 TYR 85 2HD TYR 85 -19.743 28.131 4.836 687 HD2 TYR 85 1HD TYR 85 -20.079 32.364 4.603 688 HE1 TYR 85 2HE TYR 85 -21.835 27.887 3.571 689 HE2 TYR 85 1HE TYR 85 -22.174 32.134 3.333 690 HH TYR 85 HH TYR 85 -23.842 29.160 3.076 691 H THR 86 HN THR 86 -16.948 29.977 2.244 692 HA THR 86 HA THR 86 -16.871 32.885 1.813 693 HB THR 86 HB THR 86 -15.018 31.180 0.206 694 HG1 THR 86 1HG THR 86 -14.681 31.863 2.945 695 HG21 THR 86 3HG2 THR 86 -13.642 33.199 0.246 696 HG22 THR 86 1HG2 THR 86 -14.759 33.955 1.383 697 HG23 THR 86 2HG2 THR 86 -15.284 33.592 -0.260 698 H LEU 87 HN LEU 87 -16.661 33.101 -0.802 699 HA LEU 87 HA LEU 87 -17.502 32.778 -2.874 700 HB2 LEU 87 2HB LEU 87 -18.187 30.079 -1.753 701 HB3 LEU 87 1HB LEU 87 -18.757 30.569 -3.336 702 HG LEU 87 HG LEU 87 -16.326 30.968 -3.951 703 HD11 LEU 87 1HD1 LEU 87 -14.651 29.759 -2.642 704 HD12 LEU 87 2HD1 LEU 87 -15.871 29.394 -1.421 705 HD13 LEU 87 3HD1 LEU 87 -15.389 31.065 -1.714 706 HD21 LEU 87 3HD2 LEU 87 -17.228 28.173 -3.265 707 HD22 LEU 87 1HD2 LEU 87 -15.914 28.584 -4.369 708 HD23 LEU 87 2HD2 LEU 87 -17.569 29.054 -4.756 709 H GLU 88 HN GLU 88 -19.218 33.699 -3.755 710 HA GLU 88 HA GLU 88 -21.620 34.042 -2.145 711 HB2 GLU 88 2HB GLU 88 -20.738 35.205 -4.791 712 HB3 GLU 88 1HB GLU 88 -22.272 35.586 -4.020 713 HG2 GLU 88 2HG GLU 88 -21.229 36.710 -2.250 714 HG3 GLU 88 1HG GLU 88 -19.654 36.008 -2.619 715 H HIS 89 HN HIS 89 -23.219 32.622 -2.302 716 HA HIS 89 HA HIS 89 -23.940 31.576 -4.930 717 HB2 HIS 89 2HB HIS 89 -24.154 29.279 -4.115 718 HB3 HIS 89 1HB HIS 89 -22.500 29.840 -3.941 719 HD1 HIS 89 1HD HIS 89 -24.678 27.780 -2.244 720 HD2 HIS 89 2HD HIS 89 -22.397 31.042 -1.021 721 HE1 HIS 89 1HE HIS 89 -24.436 27.548 0.249 722 HE2 HIS 89 2HE HIS 89 -23.176 29.604 0.985 723 H HIS 90 HN HIS 90 -26.068 31.535 -5.261 724 HA HIS 90 HA HIS 90 -27.838 31.957 -2.946 725 HB2 HIS 90 2HB HIS 90 -27.152 34.047 -4.394 726 HB3 HIS 90 1HB HIS 90 -28.311 33.389 -5.540 727 HD1 HIS 90 1HD HIS 90 -28.038 35.291 -2.404 728 HD2 HIS 90 2HD HIS 90 -31.023 33.383 -4.586 729 HE1 HIS 90 1HE HIS 90 -30.212 36.140 -1.469 730 HE2 HIS 90 2HE HIS 90 -32.008 34.914 -2.743 731 H HIS 91 HN HIS 91 -29.982 31.203 -3.228 732 HA HIS 91 HA HIS 91 -30.365 28.966 -4.902 733 HB2 HIS 91 2HB HIS 91 -32.259 30.683 -3.316 734 HB3 HIS 91 1HB HIS 91 -32.843 29.362 -4.318 735 HD1 HIS 91 1HD HIS 91 -32.830 29.669 -1.069 736 HD2 HIS 91 2HD HIS 91 -30.490 27.184 -3.447 737 HE1 HIS 91 1HE HIS 91 -32.135 27.760 0.417 738 HE2 HIS 91 2HE HIS 91 -30.894 26.174 -1.103 739 H HIS 92 HN HIS 92 -31.519 28.686 -6.777 740 HA HIS 92 HA HIS 92 -32.673 30.976 -8.118 741 HB2 HIS 92 2HB HIS 92 -31.283 30.618 -10.184 742 HB3 HIS 92 1HB HIS 92 -30.412 31.313 -8.824 743 HD1 HIS 92 1HD HIS 92 -28.206 30.307 -8.420 744 HD2 HIS 92 2HD HIS 92 -30.792 27.642 -10.305 745 HE1 HIS 92 1HE HIS 92 -26.855 28.225 -8.841 746 HE2 HIS 92 2HE HIS 92 -28.379 26.715 -10.168 747 H HIS 93 HN HIS 93 -33.987 30.418 -9.870 748 HA HIS 93 HA HIS 93 -34.990 27.706 -9.797 749 HB2 HIS 93 2HB HIS 93 -36.477 29.730 -9.953 750 HB3 HIS 93 1HB HIS 93 -35.833 30.021 -11.565 751 HD1 HIS 93 1HD HIS 93 -36.772 28.633 -13.476 752 HD2 HIS 93 2HD HIS 93 -38.192 27.475 -9.743 753 HE1 HIS 93 1HE HIS 93 -38.672 27.053 -13.933 754 HE2 HIS 93 2HE HIS 93 -39.667 26.569 -11.666 755 H HIS 94 HN HIS 94 -34.919 26.230 -11.539 756 HA HIS 94 HA HIS 94 -32.696 26.649 -13.354 757 HB2 HIS 94 2HB HIS 94 -33.268 24.432 -12.188 758 HB3 HIS 94 1HB HIS 94 -34.559 24.280 -13.375 759 HD1 HIS 94 1HD HIS 94 -33.924 23.105 -15.473 760 HD2 HIS 94 2HD HIS 94 -30.624 24.730 -13.525 761 HE1 HIS 94 1HE HIS 94 -31.918 22.373 -16.799 762 HE2 HIS 94 2HE HIS 94 -29.953 23.514 -15.708
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