NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
599427 | 2n8p | 25858 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 -0.000 0.855 2 HA MET 1 HA MET 1 1.562 -0.611 -1.957 3 HB2 MET 1 HB2 MET 1 1.320 1.972 -1.533 4 HB3 MET 1 HB3 MET 1 3.066 1.901 -1.340 5 HG2 MET 1 HG2 MET 1 3.435 1.439 -3.536 6 HG3 MET 1 HG3 MET 1 1.888 0.618 -3.738 7 HE1 MET 1 HE1 MET 1 -0.359 1.915 -4.641 8 HE2 MET 1 HE2 MET 1 0.200 3.030 -5.887 9 HE3 MET 1 HE3 MET 1 0.965 1.450 -5.710 10 H ALA 2 H ALA 2 3.805 -0.636 -2.998 11 HA ALA 2 HA ALA 2 5.536 -2.168 -1.288 12 HB1 ALA 2 HB1 ALA 2 6.979 -2.128 -3.452 13 HB2 ALA 2 HB2 ALA 2 5.471 -3.043 -3.422 14 HB3 ALA 2 HB3 ALA 2 5.524 -1.456 -4.189 15 H GLY 3 H GLY 3 6.002 -0.418 0.240 16 HA2 GLY 3 HA2 GLY 3 7.343 1.947 -0.453 17 HA3 GLY 3 HA3 GLY 3 7.404 1.169 1.122 18 H PHE 4 H PHE 4 8.473 -1.300 -0.342 19 HA PHE 4 HA PHE 4 11.183 -0.905 0.226 20 HB2 PHE 4 HB2 PHE 4 10.349 -3.136 0.216 21 HB3 PHE 4 HB3 PHE 4 9.761 -2.983 -1.436 22 HD1 PHE 4 HD1 PHE 4 12.699 -3.494 0.679 23 HD2 PHE 4 HD2 PHE 4 11.260 -3.183 -3.314 24 HE1 PHE 4 HE1 PHE 4 14.814 -4.437 -0.152 25 HE2 PHE 4 HE2 PHE 4 13.372 -4.126 -4.152 26 HZ PHE 4 HZ PHE 4 15.152 -4.755 -2.571 27 H LEU 5 H LEU 5 9.442 -0.827 -2.860 28 HA LEU 5 HA LEU 5 11.770 -0.329 -4.429 29 HB2 LEU 5 HB2 LEU 5 8.822 -0.141 -4.937 30 HB3 LEU 5 HB3 LEU 5 9.990 0.409 -6.137 31 HG LEU 5 HG LEU 5 10.506 -2.301 -5.177 32 HD11 LEU 5 HD11 LEU 5 8.601 -3.182 -6.647 33 HD12 LEU 5 HD12 LEU 5 7.860 -1.602 -6.398 34 HD13 LEU 5 HD13 LEU 5 8.206 -2.640 -5.016 35 HD21 LEU 5 HD21 LEU 5 11.221 -2.609 -7.306 36 HD22 LEU 5 HD22 LEU 5 11.300 -0.847 -7.268 37 HD23 LEU 5 HD23 LEU 5 9.913 -1.652 -8.004 38 H LYS 6 H LYS 6 9.575 1.649 -2.627 39 HA LYS 6 HA LYS 6 10.238 4.112 -3.947 40 HB2 LYS 6 HB2 LYS 6 8.133 3.427 -2.485 41 HB3 LYS 6 HB3 LYS 6 9.124 4.063 -1.179 42 HG2 LYS 6 HG2 LYS 6 9.342 6.183 -2.449 43 HG3 LYS 6 HG3 LYS 6 8.214 5.534 -3.642 44 HD2 LYS 6 HD2 LYS 6 7.564 5.770 -0.710 45 HD3 LYS 6 HD3 LYS 6 7.202 7.036 -1.886 46 HE2 LYS 6 HE2 LYS 6 5.645 5.716 -3.007 47 HE3 LYS 6 HE3 LYS 6 6.288 4.218 -2.334 48 HZ1 LYS 6 HZ1 LYS 6 4.954 6.286 -0.682 49 HZ2 LYS 6 HZ2 LYS 6 5.339 4.699 -0.241 50 HZ3 LYS 6 HZ3 LYS 6 4.122 4.988 -1.380 51 H VAL 7 H VAL 7 11.141 2.564 -0.883 52 HA VAL 7 HA VAL 7 12.808 4.629 0.057 53 HB VAL 7 HB VAL 7 13.788 2.944 1.549 54 HG11 VAL 7 HG11 VAL 7 10.948 3.482 1.268 55 HG12 VAL 7 HG12 VAL 7 11.268 1.976 2.131 56 HG13 VAL 7 HG13 VAL 7 11.964 3.491 2.709 57 HG21 VAL 7 HG21 VAL 7 13.800 1.121 -0.180 58 HG22 VAL 7 HG22 VAL 7 13.246 0.629 1.421 59 HG23 VAL 7 HG23 VAL 7 12.076 0.911 0.131 60 H VAL 8 H VAL 8 13.289 2.161 -2.316 61 HA VAL 8 HA VAL 8 16.176 2.360 -2.284 62 HB VAL 8 HB VAL 8 14.325 0.952 -4.213 63 HG11 VAL 8 HG11 VAL 8 16.321 1.405 -5.397 64 HG12 VAL 8 HG12 VAL 8 17.326 1.008 -4.002 65 HG13 VAL 8 HG13 VAL 8 16.447 -0.266 -4.848 66 HG21 VAL 8 HG21 VAL 8 14.321 -0.795 -2.827 67 HG22 VAL 8 HG22 VAL 8 16.061 -0.686 -2.561 68 HG23 VAL 8 HG23 VAL 8 14.959 0.300 -1.601 69 H GLN 9 H GLN 9 13.515 3.838 -3.923 70 HA GLN 9 HA GLN 9 14.827 4.722 -6.251 71 HB2 GLN 9 HB2 GLN 9 12.367 5.518 -4.771 72 HB3 GLN 9 HB3 GLN 9 12.996 6.628 -5.981 73 HG2 GLN 9 HG2 GLN 9 13.046 4.373 -7.409 74 HG3 GLN 9 HG3 GLN 9 11.728 3.983 -6.305 75 HE21 GLN 9 HE21 GLN 9 10.897 4.037 -8.721 76 HE22 GLN 9 HE22 GLN 9 10.095 5.505 -9.149 77 H LEU 10 H LEU 10 14.713 5.971 -2.988 78 HA LEU 10 HA LEU 10 15.792 8.537 -3.586 79 HB2 LEU 10 HB2 LEU 10 15.848 7.019 -0.983 80 HB3 LEU 10 HB3 LEU 10 16.124 8.747 -1.190 81 HG LEU 10 HG LEU 10 13.529 7.258 -1.560 82 HD11 LEU 10 HD11 LEU 10 14.584 9.191 0.474 83 HD12 LEU 10 HD12 LEU 10 13.846 7.610 0.725 84 HD13 LEU 10 HD13 LEU 10 12.853 8.975 0.214 85 HD21 LEU 10 HD21 LEU 10 12.534 9.405 -2.104 86 HD22 LEU 10 HD22 LEU 10 13.787 8.994 -3.275 87 HD23 LEU 10 HD23 LEU 10 14.115 10.182 -2.012 88 H LEU 11 H LEU 11 17.167 5.415 -2.772 89 HA LEU 11 HA LEU 11 19.769 6.175 -2.141 90 HB2 LEU 11 HB2 LEU 11 18.484 3.722 -3.194 91 HB3 LEU 11 HB3 LEU 11 20.236 3.839 -3.341 92 HG LEU 11 HG LEU 11 19.628 2.595 -1.352 93 HD11 LEU 11 HD11 LEU 11 20.497 4.987 0.035 94 HD12 LEU 11 HD12 LEU 11 21.383 4.727 -1.467 95 HD13 LEU 11 HD13 LEU 11 21.345 3.465 -0.236 96 HD21 LEU 11 HD21 LEU 11 17.451 4.165 -1.183 97 HD22 LEU 11 HD22 LEU 11 18.477 4.935 0.028 98 HD23 LEU 11 HD23 LEU 11 18.081 3.222 0.168 99 H ALA 12 H ALA 12 18.131 6.133 -5.180 100 HA ALA 12 HA ALA 12 20.203 5.889 -6.998 101 HB1 ALA 12 HB1 ALA 12 18.690 6.504 -8.543 102 HB2 ALA 12 HB2 ALA 12 17.553 6.392 -7.198 103 HB3 ALA 12 HB3 ALA 12 18.222 7.957 -7.659 104 H LYS 13 H LYS 13 19.395 8.551 -4.906 105 HA LYS 13 HA LYS 13 20.964 10.515 -6.263 106 HB2 LYS 13 HB2 LYS 13 20.494 11.943 -4.427 107 HB3 LYS 13 HB3 LYS 13 19.047 10.975 -4.676 108 HG2 LYS 13 HG2 LYS 13 19.188 10.759 -2.437 109 HG3 LYS 13 HG3 LYS 13 20.272 9.436 -2.872 110 HD2 LYS 13 HD2 LYS 13 21.619 10.517 -1.389 111 HD3 LYS 13 HD3 LYS 13 22.053 11.413 -2.847 112 HE2 LYS 13 HE2 LYS 13 20.067 12.953 -2.142 113 HE3 LYS 13 HE3 LYS 13 20.324 12.235 -0.552 114 HZ1 LYS 13 HZ1 LYS 13 21.629 14.158 -0.587 115 HZ2 LYS 13 HZ2 LYS 13 22.210 13.862 -2.148 116 HZ3 LYS 13 HZ3 LYS 13 22.731 12.902 -0.856 117 H TYR 14 H TYR 14 21.563 8.157 -3.750 118 HA TYR 14 HA TYR 14 24.080 9.230 -2.932 119 HB2 TYR 14 HB2 TYR 14 22.609 6.665 -2.452 120 HB3 TYR 14 HB3 TYR 14 24.311 6.782 -2.016 121 HD1 TYR 14 HD2 TYR 14 25.004 8.658 -0.428 122 HD2 TYR 14 HD1 TYR 14 20.952 7.509 -1.028 123 HE1 TYR 14 HE2 TYR 14 24.390 9.737 1.696 124 HE2 TYR 14 HE1 TYR 14 20.326 8.586 1.093 125 HH TYR 14 HH TYR 14 21.832 10.768 2.561 126 H GLY 15 H GLY 15 23.032 6.845 -5.293 127 HA2 GLY 15 HA2 GLY 15 24.814 6.982 -7.206 128 HA3 GLY 15 HA3 GLY 15 25.818 6.235 -5.972 129 H SER 16 H SER 16 26.139 4.294 -6.982 130 HA SER 16 HA SER 16 23.739 2.617 -7.306 131 HB2 SER 16 HB2 SER 16 24.867 3.329 -9.481 132 HB3 SER 16 HB3 SER 16 26.229 2.324 -8.988 133 HG SER 16 HG SER 16 23.554 1.415 -9.265 134 H LYS 17 H LYS 17 25.569 2.961 -5.028 135 HA LYS 17 HA LYS 17 26.674 0.231 -4.893 136 HB2 LYS 17 HB2 LYS 17 28.319 2.138 -4.730 137 HB3 LYS 17 HB3 LYS 17 27.534 2.597 -3.225 138 HG2 LYS 17 HG2 LYS 17 28.225 0.626 -2.142 139 HG3 LYS 17 HG3 LYS 17 28.686 -0.140 -3.664 140 HD2 LYS 17 HD2 LYS 17 30.012 2.369 -2.671 141 HD3 LYS 17 HD3 LYS 17 30.566 0.763 -2.191 142 HE2 LYS 17 HE2 LYS 17 30.212 1.509 -5.077 143 HE3 LYS 17 HE3 LYS 17 31.698 1.884 -4.205 144 HZ1 LYS 17 HZ1 LYS 17 31.123 -0.768 -3.666 145 HZ2 LYS 17 HZ2 LYS 17 32.366 -0.166 -4.643 146 HZ3 LYS 17 HZ3 LYS 17 30.875 -0.575 -5.329 147 H ALA 18 H ALA 18 25.128 2.787 -2.965 148 HA ALA 18 HA ALA 18 24.529 1.050 -0.776 149 HB1 ALA 18 HB1 ALA 18 23.372 3.753 -1.449 150 HB2 ALA 18 HB2 ALA 18 23.238 2.919 0.100 151 HB3 ALA 18 HB3 ALA 18 24.814 3.463 -0.475 152 H VAL 19 H VAL 19 22.977 1.851 -3.761 153 HA VAL 19 HA VAL 19 20.329 1.098 -3.021 154 HB VAL 19 HB VAL 19 20.756 2.556 -4.946 155 HG11 VAL 19 HG11 VAL 19 22.847 1.308 -5.638 156 HG12 VAL 19 HG12 VAL 19 21.778 0.138 -6.413 157 HG13 VAL 19 HG13 VAL 19 21.777 1.820 -6.944 158 HG21 VAL 19 HG21 VAL 19 18.779 1.872 -5.687 159 HG22 VAL 19 HG22 VAL 19 19.545 0.522 -6.525 160 HG23 VAL 19 HG23 VAL 19 19.002 0.332 -4.858 161 H GLN 20 H GLN 20 23.130 -0.612 -4.209 162 HA GLN 20 HA GLN 20 21.867 -2.957 -5.105 163 HB2 GLN 20 HB2 GLN 20 24.267 -2.276 -5.502 164 HB3 GLN 20 HB3 GLN 20 24.610 -2.796 -3.858 165 HG2 GLN 20 HG2 GLN 20 24.293 -5.024 -4.351 166 HG3 GLN 20 HG3 GLN 20 23.294 -4.677 -5.760 167 HE21 GLN 20 HE21 GLN 20 24.313 -3.974 -7.684 168 HE22 GLN 20 HE22 GLN 20 25.975 -4.333 -7.989 169 H TRP 21 H TRP 21 22.963 -1.941 -1.918 170 HA TRP 21 HA TRP 21 22.765 -4.357 -0.555 171 HB2 TRP 21 HB2 TRP 21 23.667 -2.140 0.308 172 HB3 TRP 21 HB3 TRP 21 21.994 -1.687 0.623 173 HD1 TRP 21 HD1 TRP 21 24.307 -4.677 1.552 174 HE1 TRP 21 HE1 TRP 21 23.808 -5.324 3.993 175 HE3 TRP 21 HE3 TRP 21 20.586 -1.313 2.538 176 HZ2 TRP 21 HZ2 TRP 21 22.066 -4.516 6.062 177 HZ3 TRP 21 HZ3 TRP 21 19.555 -1.316 4.772 178 HH2 TRP 21 HH2 TRP 21 20.281 -2.885 6.496 179 H ALA 22 H ALA 22 20.290 -1.787 -0.710 180 HA ALA 22 HA ALA 22 18.240 -3.115 0.574 181 HB1 ALA 22 HB1 ALA 22 18.112 -0.763 -0.011 182 HB2 ALA 22 HB2 ALA 22 18.018 -1.174 -1.724 183 HB3 ALA 22 HB3 ALA 22 16.706 -1.627 -0.635 184 H TRP 23 H TRP 23 19.042 -3.162 -2.887 185 HA TRP 23 HA TRP 23 16.912 -4.801 -3.704 186 HB2 TRP 23 HB2 TRP 23 19.539 -4.000 -4.852 187 HB3 TRP 23 HB3 TRP 23 18.737 -5.399 -5.562 188 HD1 TRP 23 HD1 TRP 23 18.723 -1.669 -5.612 189 HE1 TRP 23 HE1 TRP 23 16.813 -0.816 -7.112 190 HE3 TRP 23 HE3 TRP 23 16.164 -6.050 -6.241 191 HZ2 TRP 23 HZ2 TRP 23 14.525 -1.861 -8.392 192 HZ3 TRP 23 HZ3 TRP 23 14.124 -6.038 -7.617 193 HH2 TRP 23 HH2 TRP 23 13.323 -3.986 -8.669 194 H ALA 24 H ALA 24 20.189 -5.581 -2.621 195 HA ALA 24 HA ALA 24 20.056 -8.356 -3.117 196 HB1 ALA 24 HB1 ALA 24 22.215 -7.981 -2.712 197 HB2 ALA 24 HB2 ALA 24 21.873 -6.514 -1.793 198 HB3 ALA 24 HB3 ALA 24 21.799 -8.088 -1.001 199 H ASN 25 H ASN 25 19.556 -6.490 -0.122 200 HA ASN 25 HA ASN 25 18.462 -8.871 1.169 201 HB2 ASN 25 HB2 ASN 25 19.260 -6.151 2.204 202 HB3 ASN 25 HB3 ASN 25 18.402 -7.325 3.198 203 HD21 ASN 25 HD21 ASN 25 21.399 -6.305 2.011 204 HD22 ASN 25 HD22 ASN 25 22.360 -7.600 2.631 205 H LYS 26 H LYS 26 16.460 -9.105 0.205 206 HA LYS 26 HA LYS 26 14.558 -6.889 0.590 207 HB2 LYS 26 HB2 LYS 26 13.176 -8.095 -1.134 208 HB3 LYS 26 HB3 LYS 26 14.695 -7.437 -1.727 209 HG2 LYS 26 HG2 LYS 26 15.704 -9.688 -1.496 210 HG3 LYS 26 HG3 LYS 26 14.115 -10.311 -1.046 211 HD2 LYS 26 HD2 LYS 26 14.632 -8.839 -3.621 212 HD3 LYS 26 HD3 LYS 26 14.769 -10.592 -3.472 213 HE2 LYS 26 HE2 LYS 26 12.280 -9.192 -2.581 214 HE3 LYS 26 HE3 LYS 26 12.538 -9.536 -4.291 215 HZ1 LYS 26 HZ1 LYS 26 11.376 -11.369 -3.500 216 HZ2 LYS 26 HZ2 LYS 26 12.251 -11.444 -2.055 217 HZ3 LYS 26 HZ3 LYS 26 12.980 -11.907 -3.510 218 H GLY 27 H GLY 27 15.136 -8.375 2.815 219 HA2 GLY 27 HA2 GLY 27 12.555 -9.669 3.285 220 HA3 GLY 27 HA3 GLY 27 13.999 -10.625 3.581 221 H LYS 28 H LYS 28 15.645 -8.619 4.658 222 HA LYS 28 HA LYS 28 14.545 -8.497 7.330 223 HB2 LYS 28 HB2 LYS 28 16.728 -7.868 8.039 224 HB3 LYS 28 HB3 LYS 28 16.938 -9.107 6.809 225 HG2 LYS 28 HG2 LYS 28 18.472 -7.659 6.029 226 HG3 LYS 28 HG3 LYS 28 17.063 -6.921 5.263 227 HD2 LYS 28 HD2 LYS 28 17.956 -5.071 6.258 228 HD3 LYS 28 HD3 LYS 28 16.936 -5.642 7.581 229 HE2 LYS 28 HE2 LYS 28 19.089 -5.108 8.477 230 HE3 LYS 28 HE3 LYS 28 18.911 -6.862 8.485 231 HZ1 LYS 28 HZ1 LYS 28 21.059 -5.645 7.553 232 HZ2 LYS 28 HZ2 LYS 28 20.150 -5.684 6.127 233 HZ3 LYS 28 HZ3 LYS 28 20.515 -7.124 6.937 234 H ILE 29 H ILE 29 15.100 -6.343 4.659 235 HA ILE 29 HA ILE 29 14.759 -3.940 6.221 236 HB ILE 29 HB ILE 29 14.750 -4.295 3.221 237 HG12 ILE 29 HG12 ILE 29 16.978 -3.435 5.080 238 HG13 ILE 29 HG13 ILE 29 16.867 -4.999 4.280 239 HG21 ILE 29 HG21 ILE 29 14.129 -2.167 3.126 240 HG22 ILE 29 HG22 ILE 29 14.136 -2.053 4.885 241 HG23 ILE 29 HG23 ILE 29 15.610 -1.724 3.974 242 HD11 ILE 29 HD11 ILE 29 16.930 -3.791 2.098 243 HD12 ILE 29 HD12 ILE 29 17.270 -2.313 2.999 244 HD13 ILE 29 HD13 ILE 29 18.401 -3.664 3.062 245 H LEU 30 H LEU 30 12.784 -6.010 4.193 246 HA LEU 30 HA LEU 30 10.591 -4.362 3.763 247 HB2 LEU 30 HB2 LEU 30 11.003 -7.298 3.943 248 HB3 LEU 30 HB3 LEU 30 9.347 -6.695 3.965 249 HG LEU 30 HG LEU 30 10.148 -7.407 1.721 250 HD11 LEU 30 HD11 LEU 30 8.406 -6.042 1.337 251 HD12 LEU 30 HD12 LEU 30 9.648 -4.930 0.762 252 HD13 LEU 30 HD13 LEU 30 9.023 -4.779 2.404 253 HD21 LEU 30 HD21 LEU 30 12.481 -6.674 1.974 254 HD22 LEU 30 HD22 LEU 30 11.945 -4.994 1.950 255 HD23 LEU 30 HD23 LEU 30 11.728 -6.010 0.524 256 H ASP 31 H ASP 31 11.645 -5.958 6.650 257 HA ASP 31 HA ASP 31 9.162 -5.847 8.048 258 HB2 ASP 31 HB2 ASP 31 11.355 -7.240 8.518 259 HB3 ASP 31 HB3 ASP 31 11.781 -5.835 9.491 260 H TRP 32 H TRP 32 12.015 -3.761 7.902 261 HA TRP 32 HA TRP 32 11.383 -1.963 9.915 262 HB2 TRP 32 HB2 TRP 32 12.835 -1.581 7.298 263 HB3 TRP 32 HB3 TRP 32 12.689 -0.295 8.494 264 HD1 TRP 32 HD1 TRP 32 13.091 -2.446 11.003 265 HE1 TRP 32 HE1 TRP 32 15.505 -3.176 11.519 266 HE3 TRP 32 HE3 TRP 32 15.274 -1.252 6.536 267 HZ2 TRP 32 HZ2 TRP 32 18.004 -3.236 10.207 268 HZ3 TRP 32 HZ3 TRP 32 17.680 -1.676 6.249 269 HH2 TRP 32 HH2 TRP 32 19.015 -2.647 8.048 270 H LEU 33 H LEU 33 10.035 -2.296 6.722 271 HA LEU 33 HA LEU 33 8.828 0.248 6.513 272 HB2 LEU 33 HB2 LEU 33 8.174 -2.412 5.271 273 HB3 LEU 33 HB3 LEU 33 7.297 -0.933 4.884 274 HG LEU 33 HG LEU 33 10.266 -1.246 4.482 275 HD11 LEU 33 HD11 LEU 33 9.833 -2.570 2.756 276 HD12 LEU 33 HD12 LEU 33 8.986 -1.218 2.004 277 HD13 LEU 33 HD13 LEU 33 8.093 -2.386 2.978 278 HD21 LEU 33 HD21 LEU 33 8.706 1.003 4.540 279 HD22 LEU 33 HD22 LEU 33 8.732 0.604 2.822 280 HD23 LEU 33 HD23 LEU 33 10.246 0.847 3.695 281 H ASN 34 H ASN 34 7.814 -2.768 7.999 282 HA ASN 34 HA ASN 34 5.283 -1.512 8.808 283 HB2 ASN 34 HB2 ASN 34 6.009 -4.433 9.051 284 HB3 ASN 34 HB3 ASN 34 4.409 -3.708 9.172 285 HD21 ASN 34 HD21 ASN 34 6.941 -4.732 7.045 286 HD22 ASN 34 HD22 ASN 34 6.039 -4.612 5.576 287 H ALA 35 H ALA 35 7.815 -0.864 10.043 288 HA ALA 35 HA ALA 35 7.261 -1.831 12.771 289 HB1 ALA 35 HB1 ALA 35 10.012 -0.987 12.348 290 HB2 ALA 35 HB2 ALA 35 9.378 -2.453 13.097 291 HB3 ALA 35 HB3 ALA 35 9.555 -2.364 11.345 292 H GLY 36 H GLY 36 8.762 0.780 10.869 293 HA2 GLY 36 HA2 GLY 36 8.087 2.634 13.067 294 HA3 GLY 36 HA3 GLY 36 9.412 2.875 11.939 295 H GLN 37 H GLN 37 7.525 1.881 9.752 296 HA GLN 37 HA GLN 37 6.259 2.848 8.127 297 HB2 GLN 37 HB2 GLN 37 4.963 3.942 10.614 298 HB3 GLN 37 HB3 GLN 37 4.348 4.314 9.008 299 HG2 GLN 37 HG2 GLN 37 4.786 1.468 9.755 300 HG3 GLN 37 HG3 GLN 37 3.385 2.320 10.403 301 HE21 GLN 37 HE21 GLN 37 4.954 1.155 7.520 302 HE22 GLN 37 HE22 GLN 37 3.576 1.266 6.484 303 H ALA 38 H ALA 38 8.624 4.016 8.182 304 HA ALA 38 HA ALA 38 8.051 6.705 7.333 305 HB1 ALA 38 HB1 ALA 38 10.265 6.980 9.125 306 HB2 ALA 38 HB2 ALA 38 8.729 7.848 9.109 307 HB3 ALA 38 HB3 ALA 38 8.875 6.331 9.996 308 H ILE 39 H ILE 39 10.351 7.810 6.869 309 HA ILE 39 HA ILE 39 11.880 5.796 5.362 310 HB ILE 39 HB ILE 39 11.774 8.765 4.832 311 HG12 ILE 39 HG12 ILE 39 10.471 7.741 2.739 312 HG13 ILE 39 HG13 ILE 39 10.041 6.517 3.928 313 HG21 ILE 39 HG21 ILE 39 12.823 6.460 3.195 314 HG22 ILE 39 HG22 ILE 39 12.752 8.141 2.668 315 HG23 ILE 39 HG23 ILE 39 13.790 7.683 4.019 316 HD11 ILE 39 HD11 ILE 39 8.670 8.810 3.496 317 HD12 ILE 39 HD12 ILE 39 8.632 7.883 4.996 318 HD13 ILE 39 HD13 ILE 39 9.704 9.275 4.847 319 H ASP 40 H ASP 40 12.275 8.843 7.159 320 HA ASP 40 HA ASP 40 15.056 8.881 7.258 321 HB2 ASP 40 HB2 ASP 40 12.912 10.014 9.021 322 HB3 ASP 40 HB3 ASP 40 14.602 10.147 9.501 323 H TRP 41 H TRP 41 12.774 6.958 9.020 324 HA TRP 41 HA TRP 41 14.557 6.198 11.126 325 HB2 TRP 41 HB2 TRP 41 12.054 6.138 11.292 326 HB3 TRP 41 HB3 TRP 41 12.066 4.762 10.192 327 HD1 TRP 41 HD1 TRP 41 13.209 5.731 13.745 328 HE1 TRP 41 HE1 TRP 41 13.402 3.578 15.143 329 HE3 TRP 41 HE3 TRP 41 12.328 2.292 10.066 330 HZ2 TRP 41 HZ2 TRP 41 13.208 0.791 14.739 331 HZ3 TRP 41 HZ3 TRP 41 12.350 -0.097 10.655 332 HH2 TRP 41 HH2 TRP 41 12.782 -0.830 12.943 333 H VAL 42 H VAL 42 13.931 5.100 7.902 334 HA VAL 42 HA VAL 42 15.239 2.542 8.291 335 HB VAL 42 HB VAL 42 14.291 3.864 5.744 336 HG11 VAL 42 HG11 VAL 42 15.826 1.454 6.262 337 HG12 VAL 42 HG12 VAL 42 14.342 1.129 5.364 338 HG13 VAL 42 HG13 VAL 42 15.514 2.291 4.742 339 HG21 VAL 42 HG21 VAL 42 12.996 1.732 7.441 340 HG22 VAL 42 HG22 VAL 42 12.461 3.407 7.297 341 HG23 VAL 42 HG23 VAL 42 12.389 2.334 5.899 342 H VAL 43 H VAL 43 15.883 5.552 6.507 343 HA VAL 43 HA VAL 43 18.328 4.868 5.386 344 HB VAL 43 HB VAL 43 17.520 7.594 6.409 345 HG11 VAL 43 HG11 VAL 43 19.805 7.724 5.941 346 HG12 VAL 43 HG12 VAL 43 19.674 6.653 4.545 347 HG13 VAL 43 HG13 VAL 43 19.034 8.295 4.461 348 HG21 VAL 43 HG21 VAL 43 15.845 6.657 4.902 349 HG22 VAL 43 HG22 VAL 43 16.705 7.994 4.137 350 HG23 VAL 43 HG23 VAL 43 17.096 6.330 3.702 351 H SER 44 H SER 44 17.585 6.067 8.616 352 HA SER 44 HA SER 44 20.185 6.617 9.482 353 HB2 SER 44 HB2 SER 44 18.241 7.326 10.763 354 HB3 SER 44 HB3 SER 44 17.796 5.648 11.070 355 HG SER 44 HG SER 44 18.905 6.500 12.845 356 H LYS 45 H LYS 45 18.535 3.613 9.009 357 HA LYS 45 HA LYS 45 20.576 2.123 10.479 358 HB2 LYS 45 HB2 LYS 45 17.900 1.427 9.318 359 HB3 LYS 45 HB3 LYS 45 19.059 0.153 9.676 360 HG2 LYS 45 HG2 LYS 45 19.176 1.126 12.019 361 HG3 LYS 45 HG3 LYS 45 17.749 2.067 11.580 362 HD2 LYS 45 HD2 LYS 45 16.569 -0.030 11.036 363 HD3 LYS 45 HD3 LYS 45 17.988 -0.942 11.554 364 HE2 LYS 45 HE2 LYS 45 16.474 0.973 13.322 365 HE3 LYS 45 HE3 LYS 45 16.173 -0.763 13.267 366 HZ1 LYS 45 HZ1 LYS 45 17.631 -0.541 15.023 367 HZ2 LYS 45 HZ2 LYS 45 18.542 0.671 14.272 368 HZ3 LYS 45 HZ3 LYS 45 18.679 -0.934 13.754 369 H ILE 46 H ILE 46 21.115 3.556 7.944 370 HA ILE 46 HA ILE 46 22.017 1.243 6.356 371 HB ILE 46 HB ILE 46 21.240 3.959 5.289 372 HG12 ILE 46 HG12 ILE 46 19.868 1.274 5.027 373 HG13 ILE 46 HG13 ILE 46 19.293 2.633 5.986 374 HG21 ILE 46 HG21 ILE 46 22.101 1.459 3.839 375 HG22 ILE 46 HG22 ILE 46 21.584 2.968 3.087 376 HG23 ILE 46 HG23 ILE 46 23.067 2.921 4.040 377 HD11 ILE 46 HD11 ILE 46 18.029 2.916 4.126 378 HD12 ILE 46 HD12 ILE 46 19.439 3.863 3.652 379 HD13 ILE 46 HD13 ILE 46 19.243 2.215 3.056 380 H LYS 47 H LYS 47 22.725 4.476 7.535 381 HA LYS 47 HA LYS 47 25.285 4.714 6.334 382 HB2 LYS 47 HB2 LYS 47 23.910 6.106 8.616 383 HB3 LYS 47 HB3 LYS 47 25.595 6.443 8.239 384 HG2 LYS 47 HG2 LYS 47 24.611 8.073 7.008 385 HG3 LYS 47 HG3 LYS 47 24.603 6.778 5.808 386 HD2 LYS 47 HD2 LYS 47 22.431 7.649 5.737 387 HD3 LYS 47 HD3 LYS 47 22.284 6.195 6.726 388 HE2 LYS 47 HE2 LYS 47 21.051 7.947 7.790 389 HE3 LYS 47 HE3 LYS 47 22.497 7.636 8.749 390 HZ1 LYS 47 HZ1 LYS 47 22.573 9.733 6.695 391 HZ2 LYS 47 HZ2 LYS 47 23.436 9.618 8.145 392 HZ3 LYS 47 HZ3 LYS 47 21.803 10.058 8.166 393 H GLN 48 H GLN 48 24.114 3.117 9.173 394 HA GLN 48 HA GLN 48 26.769 2.821 10.317 395 HB2 GLN 48 HB2 GLN 48 25.571 1.509 12.074 396 HB3 GLN 48 HB3 GLN 48 24.987 3.157 11.888 397 HG2 GLN 48 HG2 GLN 48 23.048 2.422 10.721 398 HG3 GLN 48 HG3 GLN 48 23.672 0.777 10.608 399 HE21 GLN 48 HE21 GLN 48 23.601 -0.557 12.402 400 HE22 GLN 48 HE22 GLN 48 22.652 -0.185 13.797 401 H ILE 49 H ILE 49 24.546 1.057 8.336 402 HA ILE 49 HA ILE 49 25.686 -1.529 8.766 403 HB ILE 49 HB ILE 49 23.985 -0.541 6.474 404 HG12 ILE 49 HG12 ILE 49 22.832 -0.326 8.609 405 HG13 ILE 49 HG13 ILE 49 22.139 -1.655 7.687 406 HG21 ILE 49 HG21 ILE 49 23.686 -3.318 6.971 407 HG22 ILE 49 HG22 ILE 49 24.298 -2.519 5.524 408 HG23 ILE 49 HG23 ILE 49 25.408 -2.971 6.818 409 HD11 ILE 49 HD11 ILE 49 22.286 -2.518 9.821 410 HD12 ILE 49 HD12 ILE 49 23.754 -3.130 9.058 411 HD13 ILE 49 HD13 ILE 49 23.836 -1.740 10.140 412 H LEU 50 H LEU 50 25.574 0.304 5.715 413 HA LEU 50 HA LEU 50 27.965 -1.000 4.783 414 HB2 LEU 50 HB2 LEU 50 26.681 1.344 3.437 415 HB3 LEU 50 HB3 LEU 50 27.547 -0.012 2.717 416 HG LEU 50 HG LEU 50 24.823 -0.224 3.995 417 HD11 LEU 50 HD11 LEU 50 24.975 -0.576 1.117 418 HD12 LEU 50 HD12 LEU 50 25.419 1.053 1.625 419 HD13 LEU 50 HD13 LEU 50 23.854 0.382 2.085 420 HD21 LEU 50 HD21 LEU 50 26.630 -2.198 3.539 421 HD22 LEU 50 HD22 LEU 50 25.738 -2.192 2.017 422 HD23 LEU 50 HD23 LEU 50 24.881 -2.423 3.542 423 H GLY 51 H GLY 51 27.083 2.436 5.219 424 HA2 GLY 51 HA2 GLY 51 28.673 3.720 6.671 425 HA3 GLY 51 HA3 GLY 51 29.946 2.977 5.714 426 H ILE 52 H ILE 52 26.928 4.119 4.352 427 HA ILE 52 HA ILE 52 28.308 5.745 2.453 428 HB ILE 52 HB ILE 52 26.179 4.584 1.937 429 HG12 ILE 52 HG12 ILE 52 25.152 6.463 0.700 430 HG13 ILE 52 HG13 ILE 52 26.107 7.597 1.650 431 HG21 ILE 52 HG21 ILE 52 24.472 6.633 3.109 432 HG22 ILE 52 HG22 ILE 52 24.291 4.879 3.093 433 HG23 ILE 52 HG23 ILE 52 25.305 5.650 4.313 434 HD11 ILE 52 HD11 ILE 52 27.400 5.455 0.006 435 HD12 ILE 52 HD12 ILE 52 26.927 7.006 -0.687 436 HD13 ILE 52 HD13 ILE 52 28.099 6.949 0.629 437 H LYS 53 H LYS 53 28.676 7.887 2.440 438 HA LYS 53 HA LYS 53 27.599 9.469 4.682 439 HB2 LYS 53 HB2 LYS 53 29.667 10.767 4.670 440 HB3 LYS 53 HB3 LYS 53 30.008 9.062 4.930 441 HG2 LYS 53 HG2 LYS 53 30.105 10.087 2.147 442 HG3 LYS 53 HG3 LYS 53 31.412 10.532 3.247 443 HD2 LYS 53 HD2 LYS 53 30.585 7.679 3.150 444 HD3 LYS 53 HD3 LYS 53 31.497 8.321 1.782 445 HE2 LYS 53 HE2 LYS 53 33.185 9.167 3.440 446 HE3 LYS 53 HE3 LYS 53 32.320 8.261 4.680 447 HZ1 LYS 53 HZ1 LYS 53 32.797 6.548 2.524 448 HZ2 LYS 53 HZ2 LYS 53 33.439 6.464 4.087 449 HZ3 LYS 53 HZ3 LYS 53 34.255 7.329 2.883 Start of MODEL 2 1 H1 MET 1 H MET 1 1.091 0.003 -4.747 2 HA MET 1 HA MET 1 1.596 0.380 -2.439 3 HB2 MET 1 HB2 MET 1 0.663 -2.487 -2.583 4 HB3 MET 1 HB3 MET 1 0.351 -1.322 -1.304 5 HG2 MET 1 HG2 MET 1 -0.778 0.020 -3.267 6 HG3 MET 1 HG3 MET 1 -0.903 -1.587 -3.980 7 HE1 MET 1 HE1 MET 1 -3.751 0.262 -1.148 8 HE2 MET 1 HE2 MET 1 -2.064 0.743 -0.973 9 HE3 MET 1 HE3 MET 1 -2.862 0.879 -2.540 10 H ALA 2 H ALA 2 4.029 -0.512 -3.789 11 HA ALA 2 HA ALA 2 5.191 -2.236 -1.702 12 HB1 ALA 2 HB1 ALA 2 6.963 -1.950 -3.906 13 HB2 ALA 2 HB2 ALA 2 6.134 -3.399 -3.338 14 HB3 ALA 2 HB3 ALA 2 5.362 -2.350 -4.527 15 H GLY 3 H GLY 3 5.731 -0.693 -0.183 16 HA2 GLY 3 HA2 GLY 3 6.883 1.807 -0.700 17 HA3 GLY 3 HA3 GLY 3 7.013 0.927 0.815 18 H PHE 4 H PHE 4 8.315 -1.363 -0.584 19 HA PHE 4 HA PHE 4 10.964 -0.768 -0.059 20 HB2 PHE 4 HB2 PHE 4 10.288 -3.057 -0.218 21 HB3 PHE 4 HB3 PHE 4 9.753 -2.847 -1.882 22 HD1 PHE 4 HD1 PHE 4 12.657 -3.203 0.323 23 HD2 PHE 4 HD2 PHE 4 11.315 -2.866 -3.702 24 HE1 PHE 4 HE1 PHE 4 14.872 -3.923 -0.472 25 HE2 PHE 4 HE2 PHE 4 13.527 -3.586 -4.504 26 HZ PHE 4 HZ PHE 4 15.308 -4.117 -2.888 27 H LEU 5 H LEU 5 9.548 -1.140 -3.315 28 HA LEU 5 HA LEU 5 11.716 -0.237 -4.774 29 HB2 LEU 5 HB2 LEU 5 8.763 -0.107 -5.297 30 HB3 LEU 5 HB3 LEU 5 9.939 0.481 -6.470 31 HG LEU 5 HG LEU 5 10.488 -2.238 -5.567 32 HD11 LEU 5 HD11 LEU 5 8.611 -3.172 -6.981 33 HD12 LEU 5 HD12 LEU 5 7.848 -1.588 -6.848 34 HD13 LEU 5 HD13 LEU 5 8.156 -2.542 -5.398 35 HD21 LEU 5 HD21 LEU 5 11.180 -2.505 -7.716 36 HD22 LEU 5 HD22 LEU 5 11.274 -0.746 -7.620 37 HD23 LEU 5 HD23 LEU 5 9.879 -1.516 -8.378 38 H LYS 6 H LYS 6 9.381 1.571 -2.944 39 HA LYS 6 HA LYS 6 9.947 4.113 -4.128 40 HB2 LYS 6 HB2 LYS 6 7.894 3.264 -2.677 41 HB3 LYS 6 HB3 LYS 6 8.869 3.894 -1.355 42 HG2 LYS 6 HG2 LYS 6 9.013 6.038 -2.781 43 HG3 LYS 6 HG3 LYS 6 7.637 5.359 -3.653 44 HD2 LYS 6 HD2 LYS 6 6.704 6.736 -1.985 45 HD3 LYS 6 HD3 LYS 6 6.526 5.087 -1.383 46 HE2 LYS 6 HE2 LYS 6 8.582 5.399 -0.043 47 HE3 LYS 6 HE3 LYS 6 8.656 7.072 -0.594 48 HZ1 LYS 6 HZ1 LYS 6 6.109 6.736 0.383 49 HZ2 LYS 6 HZ2 LYS 6 7.377 7.568 1.131 50 HZ3 LYS 6 HZ3 LYS 6 7.101 5.939 1.498 51 H VAL 7 H VAL 7 10.800 2.640 -0.995 52 HA VAL 7 HA VAL 7 12.513 4.731 -0.176 53 HB VAL 7 HB VAL 7 13.386 3.119 1.484 54 HG11 VAL 7 HG11 VAL 7 10.431 3.413 1.085 55 HG12 VAL 7 HG12 VAL 7 11.079 2.548 2.480 56 HG13 VAL 7 HG13 VAL 7 11.488 4.245 2.225 57 HG21 VAL 7 HG21 VAL 7 11.558 1.127 0.148 58 HG22 VAL 7 HG22 VAL 7 13.316 1.131 0.011 59 HG23 VAL 7 HG23 VAL 7 12.554 0.855 1.577 60 H VAL 8 H VAL 8 12.960 2.008 -2.268 61 HA VAL 8 HA VAL 8 15.842 2.050 -2.143 62 HB VAL 8 HB VAL 8 13.986 0.647 -4.071 63 HG11 VAL 8 HG11 VAL 8 16.011 0.802 -5.218 64 HG12 VAL 8 HG12 VAL 8 16.967 0.605 -3.747 65 HG13 VAL 8 HG13 VAL 8 16.098 -0.772 -4.427 66 HG21 VAL 8 HG21 VAL 8 13.690 -0.878 -2.486 67 HG22 VAL 8 HG22 VAL 8 15.433 -1.105 -2.349 68 HG23 VAL 8 HG23 VAL 8 14.623 0.116 -1.367 69 H GLN 9 H GLN 9 13.367 3.617 -3.970 70 HA GLN 9 HA GLN 9 14.858 4.257 -6.285 71 HB2 GLN 9 HB2 GLN 9 12.365 5.299 -5.013 72 HB3 GLN 9 HB3 GLN 9 13.117 6.244 -6.291 73 HG2 GLN 9 HG2 GLN 9 12.702 3.364 -6.816 74 HG3 GLN 9 HG3 GLN 9 11.269 4.390 -6.755 75 HE21 GLN 9 HE21 GLN 9 11.481 6.452 -8.055 76 HE22 GLN 9 HE22 GLN 9 12.200 6.305 -9.620 77 H LEU 10 H LEU 10 14.645 5.687 -3.110 78 HA LEU 10 HA LEU 10 15.830 8.184 -3.765 79 HB2 LEU 10 HB2 LEU 10 15.369 6.670 -1.227 80 HB3 LEU 10 HB3 LEU 10 16.364 8.125 -1.223 81 HG LEU 10 HG LEU 10 14.109 8.649 -0.527 82 HD11 LEU 10 HD11 LEU 10 15.510 10.142 -2.127 83 HD12 LEU 10 HD12 LEU 10 13.822 10.542 -1.811 84 HD13 LEU 10 HD13 LEU 10 14.268 9.725 -3.308 85 HD21 LEU 10 HD21 LEU 10 13.002 6.771 -1.701 86 HD22 LEU 10 HD22 LEU 10 13.212 7.638 -3.223 87 HD23 LEU 10 HD23 LEU 10 12.195 8.319 -1.952 88 H LEU 11 H LEU 11 17.091 5.036 -2.931 89 HA LEU 11 HA LEU 11 19.711 5.756 -2.243 90 HB2 LEU 11 HB2 LEU 11 18.459 3.278 -3.353 91 HB3 LEU 11 HB3 LEU 11 20.210 3.385 -3.183 92 HG LEU 11 HG LEU 11 19.255 2.212 -1.297 93 HD11 LEU 11 HD11 LEU 11 20.627 3.173 0.197 94 HD12 LEU 11 HD12 LEU 11 19.867 4.756 0.035 95 HD13 LEU 11 HD13 LEU 11 21.060 4.226 -1.150 96 HD21 LEU 11 HD21 LEU 11 17.045 3.609 -1.566 97 HD22 LEU 11 HD22 LEU 11 17.817 4.651 -0.370 98 HD23 LEU 11 HD23 LEU 11 17.518 2.952 0.001 99 H ALA 12 H ALA 12 18.097 5.805 -5.256 100 HA ALA 12 HA ALA 12 20.229 5.389 -7.033 101 HB1 ALA 12 HB1 ALA 12 18.726 5.846 -8.631 102 HB2 ALA 12 HB2 ALA 12 17.562 5.867 -7.305 103 HB3 ALA 12 HB3 ALA 12 18.259 7.378 -7.891 104 H LYS 13 H LYS 13 19.361 8.112 -5.065 105 HA LYS 13 HA LYS 13 20.906 10.048 -6.499 106 HB2 LYS 13 HB2 LYS 13 20.354 11.558 -4.766 107 HB3 LYS 13 HB3 LYS 13 18.944 10.524 -4.955 108 HG2 LYS 13 HG2 LYS 13 19.083 10.452 -2.707 109 HG3 LYS 13 HG3 LYS 13 20.221 9.148 -3.056 110 HD2 LYS 13 HD2 LYS 13 21.502 10.382 -1.627 111 HD3 LYS 13 HD3 LYS 13 21.934 11.171 -3.146 112 HE2 LYS 13 HE2 LYS 13 19.595 12.175 -1.589 113 HE3 LYS 13 HE3 LYS 13 21.224 12.583 -1.053 114 HZ1 LYS 13 HZ1 LYS 13 19.736 13.571 -3.307 115 HZ2 LYS 13 HZ2 LYS 13 21.312 13.103 -3.704 116 HZ3 LYS 13 HZ3 LYS 13 21.052 14.258 -2.495 117 H TYR 14 H TYR 14 21.510 7.791 -3.907 118 HA TYR 14 HA TYR 14 23.874 8.907 -2.884 119 HB2 TYR 14 HB2 TYR 14 22.731 6.132 -2.918 120 HB3 TYR 14 HB3 TYR 14 24.345 6.418 -2.278 121 HD1 TYR 14 HD1 TYR 14 20.786 7.402 -1.883 122 HD2 TYR 14 HD2 TYR 14 24.642 7.227 -0.093 123 HE1 TYR 14 HE1 TYR 14 19.806 8.055 0.276 124 HE2 TYR 14 HE2 TYR 14 23.672 7.878 2.072 125 HH TYR 14 HH TYR 14 20.283 8.788 2.368 126 H GLY 15 H GLY 15 23.228 7.110 -5.776 127 HA2 GLY 15 HA2 GLY 15 24.971 7.530 -7.527 128 HA3 GLY 15 HA3 GLY 15 26.131 6.992 -6.321 129 H SER 16 H SER 16 22.991 5.506 -6.765 130 HA SER 16 HA SER 16 22.404 3.353 -7.231 131 HB2 SER 16 HB2 SER 16 24.472 3.907 -9.357 132 HB3 SER 16 HB3 SER 16 23.564 2.397 -9.304 133 HG SER 16 HG SER 16 22.685 4.993 -9.863 134 H LYS 17 H LYS 17 24.495 3.780 -5.234 135 HA LYS 17 HA LYS 17 25.999 1.262 -5.496 136 HB2 LYS 17 HB2 LYS 17 26.618 3.883 -4.223 137 HB3 LYS 17 HB3 LYS 17 27.264 2.434 -3.463 138 HG2 LYS 17 HG2 LYS 17 28.558 1.890 -5.331 139 HG3 LYS 17 HG3 LYS 17 27.647 2.972 -6.387 140 HD2 LYS 17 HD2 LYS 17 28.749 4.837 -5.654 141 HD3 LYS 17 HD3 LYS 17 29.059 4.158 -4.054 142 HE2 LYS 17 HE2 LYS 17 30.393 3.088 -6.523 143 HE3 LYS 17 HE3 LYS 17 31.054 4.455 -5.627 144 HZ1 LYS 17 HZ1 LYS 17 31.139 1.667 -5.006 145 HZ2 LYS 17 HZ2 LYS 17 30.543 2.579 -3.713 146 HZ3 LYS 17 HZ3 LYS 17 32.058 2.938 -4.373 147 H ALA 18 H ALA 18 24.544 3.306 -2.955 148 HA ALA 18 HA ALA 18 24.389 1.270 -1.022 149 HB1 ALA 18 HB1 ALA 18 23.025 3.915 -1.352 150 HB2 ALA 18 HB2 ALA 18 22.583 2.828 -0.035 151 HB3 ALA 18 HB3 ALA 18 24.238 3.424 -0.169 152 H VAL 19 H VAL 19 22.390 2.032 -3.738 153 HA VAL 19 HA VAL 19 19.975 0.845 -2.904 154 HB VAL 19 HB VAL 19 20.049 2.295 -4.851 155 HG11 VAL 19 HG11 VAL 19 22.294 1.597 -5.637 156 HG12 VAL 19 HG12 VAL 19 21.580 0.101 -6.242 157 HG13 VAL 19 HG13 VAL 19 21.091 1.653 -6.924 158 HG21 VAL 19 HG21 VAL 19 18.271 1.255 -5.695 159 HG22 VAL 19 HG22 VAL 19 19.261 -0.060 -6.328 160 HG23 VAL 19 HG23 VAL 19 18.675 -0.119 -4.666 161 H GLN 20 H GLN 20 22.907 -0.482 -4.289 162 HA GLN 20 HA GLN 20 22.050 -2.956 -5.157 163 HB2 GLN 20 HB2 GLN 20 24.334 -2.160 -5.478 164 HB3 GLN 20 HB3 GLN 20 24.637 -2.273 -3.750 165 HG2 GLN 20 HG2 GLN 20 25.634 -4.174 -4.655 166 HG3 GLN 20 HG3 GLN 20 24.111 -4.748 -3.977 167 HE21 GLN 20 HE21 GLN 20 23.786 -6.480 -5.264 168 HE22 GLN 20 HE22 GLN 20 23.546 -6.391 -6.972 169 H TRP 21 H TRP 21 23.181 -2.103 -1.888 170 HA TRP 21 HA TRP 21 22.878 -4.560 -0.668 171 HB2 TRP 21 HB2 TRP 21 23.880 -2.502 0.359 172 HB3 TRP 21 HB3 TRP 21 22.246 -1.900 0.622 173 HD1 TRP 21 HD1 TRP 21 24.262 -5.092 1.561 174 HE1 TRP 21 HE1 TRP 21 23.582 -5.774 3.948 175 HE3 TRP 21 HE3 TRP 21 20.742 -1.496 2.461 176 HZ2 TRP 21 HZ2 TRP 21 21.790 -4.903 5.947 177 HZ3 TRP 21 HZ3 TRP 21 19.590 -1.491 4.636 178 HH2 TRP 21 HH2 TRP 21 20.105 -3.160 6.341 179 H ALA 22 H ALA 22 20.459 -1.946 -0.837 180 HA ALA 22 HA ALA 22 18.376 -3.207 0.472 181 HB1 ALA 22 HB1 ALA 22 18.295 -0.866 -0.157 182 HB2 ALA 22 HB2 ALA 22 18.209 -1.306 -1.863 183 HB3 ALA 22 HB3 ALA 22 16.879 -1.715 -0.778 184 H TRP 23 H TRP 23 19.597 -3.730 -2.747 185 HA TRP 23 HA TRP 23 17.305 -5.310 -3.556 186 HB2 TRP 23 HB2 TRP 23 19.807 -4.349 -4.860 187 HB3 TRP 23 HB3 TRP 23 19.041 -5.792 -5.519 188 HD1 TRP 23 HD1 TRP 23 18.619 -2.031 -5.270 189 HE1 TRP 23 HE1 TRP 23 16.653 -1.303 -6.763 190 HE3 TRP 23 HE3 TRP 23 16.744 -6.639 -6.447 191 HZ2 TRP 23 HZ2 TRP 23 14.580 -2.521 -8.242 192 HZ3 TRP 23 HZ3 TRP 23 14.767 -6.770 -7.906 193 HH2 TRP 23 HH2 TRP 23 13.709 -4.753 -8.784 194 H ALA 24 H ALA 24 20.538 -5.803 -2.326 195 HA ALA 24 HA ALA 24 20.764 -8.557 -2.945 196 HB1 ALA 24 HB1 ALA 24 22.830 -7.889 -2.390 197 HB2 ALA 24 HB2 ALA 24 22.237 -6.597 -1.345 198 HB3 ALA 24 HB3 ALA 24 22.331 -8.250 -0.737 199 H ASN 25 H ASN 25 19.961 -6.919 0.123 200 HA ASN 25 HA ASN 25 19.276 -9.325 1.467 201 HB2 ASN 25 HB2 ASN 25 18.860 -6.406 2.055 202 HB3 ASN 25 HB3 ASN 25 18.134 -7.642 3.079 203 HD21 ASN 25 HD21 ASN 25 21.263 -6.918 1.566 204 HD22 ASN 25 HD22 ASN 25 22.216 -7.321 2.951 205 H LYS 26 H LYS 26 17.079 -6.596 0.860 206 HA LYS 26 HA LYS 26 14.860 -6.514 0.361 207 HB2 LYS 26 HB2 LYS 26 16.035 -7.902 -1.638 208 HB3 LYS 26 HB3 LYS 26 14.882 -9.104 -1.071 209 HG2 LYS 26 HG2 LYS 26 13.123 -7.274 -1.277 210 HG3 LYS 26 HG3 LYS 26 14.336 -6.376 -2.192 211 HD2 LYS 26 HD2 LYS 26 14.419 -8.023 -3.884 212 HD3 LYS 26 HD3 LYS 26 13.545 -9.193 -2.893 213 HE2 LYS 26 HE2 LYS 26 12.346 -6.592 -3.820 214 HE3 LYS 26 HE3 LYS 26 12.215 -8.093 -4.736 215 HZ1 LYS 26 HZ1 LYS 26 11.477 -8.600 -2.081 216 HZ2 LYS 26 HZ2 LYS 26 10.516 -8.679 -3.470 217 HZ3 LYS 26 HZ3 LYS 26 10.631 -7.232 -2.603 218 H GLY 27 H GLY 27 15.441 -7.615 2.844 219 HA2 GLY 27 HA2 GLY 27 13.055 -9.236 3.237 220 HA3 GLY 27 HA3 GLY 27 14.576 -9.991 3.690 221 H LYS 28 H LYS 28 15.995 -8.126 4.924 222 HA LYS 28 HA LYS 28 14.646 -7.827 7.420 223 HB2 LYS 28 HB2 LYS 28 17.260 -6.543 6.633 224 HB3 LYS 28 HB3 LYS 28 16.707 -6.954 8.251 225 HG2 LYS 28 HG2 LYS 28 17.314 -8.967 6.097 226 HG3 LYS 28 HG3 LYS 28 18.439 -8.483 7.369 227 HD2 LYS 28 HD2 LYS 28 15.713 -9.444 8.115 228 HD3 LYS 28 HD3 LYS 28 16.946 -10.619 7.650 229 HE2 LYS 28 HE2 LYS 28 17.251 -8.541 9.815 230 HE3 LYS 28 HE3 LYS 28 16.853 -10.236 10.088 231 HZ1 LYS 28 HZ1 LYS 28 19.008 -10.671 8.786 232 HZ2 LYS 28 HZ2 LYS 28 19.126 -10.170 10.397 233 HZ3 LYS 28 HZ3 LYS 28 19.386 -9.062 9.145 234 H ILE 29 H ILE 29 15.539 -5.644 4.802 235 HA ILE 29 HA ILE 29 14.877 -3.233 6.117 236 HB ILE 29 HB ILE 29 14.834 -3.812 3.152 237 HG12 ILE 29 HG12 ILE 29 17.045 -2.731 4.914 238 HG13 ILE 29 HG13 ILE 29 17.007 -4.329 4.176 239 HG21 ILE 29 HG21 ILE 29 14.219 -1.703 2.846 240 HG22 ILE 29 HG22 ILE 29 14.018 -1.535 4.589 241 HG23 ILE 29 HG23 ILE 29 15.562 -1.134 3.837 242 HD11 ILE 29 HD11 ILE 29 17.400 -1.665 2.882 243 HD12 ILE 29 HD12 ILE 29 18.399 -3.116 2.783 244 HD13 ILE 29 HD13 ILE 29 16.846 -3.056 1.950 245 H LEU 30 H LEU 30 13.002 -5.485 4.155 246 HA LEU 30 HA LEU 30 10.708 -3.988 3.739 247 HB2 LEU 30 HB2 LEU 30 11.241 -6.909 4.038 248 HB3 LEU 30 HB3 LEU 30 9.576 -6.339 3.932 249 HG LEU 30 HG LEU 30 10.378 -7.093 1.766 250 HD11 LEU 30 HD11 LEU 30 9.502 -5.359 0.541 251 HD12 LEU 30 HD12 LEU 30 10.302 -4.123 1.511 252 HD13 LEU 30 HD13 LEU 30 8.897 -4.975 2.152 253 HD21 LEU 30 HD21 LEU 30 12.803 -6.434 2.359 254 HD22 LEU 30 HD22 LEU 30 12.361 -4.850 1.721 255 HD23 LEU 30 HD23 LEU 30 12.263 -6.276 0.687 256 H ASP 31 H ASP 31 11.874 -5.503 6.636 257 HA ASP 31 HA ASP 31 9.407 -5.486 8.062 258 HB2 ASP 31 HB2 ASP 31 11.631 -6.792 8.534 259 HB3 ASP 31 HB3 ASP 31 12.065 -5.344 9.439 260 H TRP 32 H TRP 32 12.148 -3.264 7.846 261 HA TRP 32 HA TRP 32 11.367 -1.469 9.844 262 HB2 TRP 32 HB2 TRP 32 12.908 -0.946 7.293 263 HB3 TRP 32 HB3 TRP 32 12.795 0.175 8.647 264 HD1 TRP 32 HD1 TRP 32 13.133 -2.298 10.851 265 HE1 TRP 32 HE1 TRP 32 15.524 -3.155 11.263 266 HE3 TRP 32 HE3 TRP 32 15.357 -0.585 6.578 267 HZ2 TRP 32 HZ2 TRP 32 18.023 -3.110 9.951 268 HZ3 TRP 32 HZ3 TRP 32 17.751 -1.034 6.233 269 HH2 TRP 32 HH2 TRP 32 19.055 -2.270 7.887 270 H LEU 33 H LEU 33 10.304 -1.843 6.537 271 HA LEU 33 HA LEU 33 9.107 0.612 6.069 272 HB2 LEU 33 HB2 LEU 33 8.214 -2.136 5.214 273 HB3 LEU 33 HB3 LEU 33 7.573 -0.631 4.558 274 HG LEU 33 HG LEU 33 10.380 -1.693 4.268 275 HD11 LEU 33 HD11 LEU 33 9.080 -2.816 2.715 276 HD12 LEU 33 HD12 LEU 33 9.657 -1.422 1.802 277 HD13 LEU 33 HD13 LEU 33 8.017 -1.433 2.451 278 HD21 LEU 33 HD21 LEU 33 9.280 1.015 3.972 279 HD22 LEU 33 HD22 LEU 33 10.226 0.438 2.600 280 HD23 LEU 33 HD23 LEU 33 10.944 0.483 4.211 281 H ASN 34 H ASN 34 8.104 -1.988 8.138 282 HA ASN 34 HA ASN 34 5.577 -0.579 8.688 283 HB2 ASN 34 HB2 ASN 34 6.241 -3.451 9.360 284 HB3 ASN 34 HB3 ASN 34 4.666 -2.670 9.463 285 HD21 ASN 34 HD21 ASN 34 6.383 -4.774 7.717 286 HD22 ASN 34 HD22 ASN 34 5.656 -4.562 6.164 287 H ALA 35 H ALA 35 8.560 -1.725 10.025 288 HA ALA 35 HA ALA 35 7.930 -1.693 12.758 289 HB1 ALA 35 HB1 ALA 35 10.614 -0.939 11.636 290 HB2 ALA 35 HB2 ALA 35 10.249 -1.734 13.168 291 HB3 ALA 35 HB3 ALA 35 10.022 -2.601 11.649 292 H GLY 36 H GLY 36 9.452 0.848 10.762 293 HA2 GLY 36 HA2 GLY 36 8.695 2.793 12.850 294 HA3 GLY 36 HA3 GLY 36 10.043 2.994 11.741 295 H GLN 37 H GLN 37 8.324 1.957 9.503 296 HA GLN 37 HA GLN 37 7.137 2.880 7.793 297 HB2 GLN 37 HB2 GLN 37 5.589 3.739 10.217 298 HB3 GLN 37 HB3 GLN 37 5.081 4.242 8.610 299 HG2 GLN 37 HG2 GLN 37 4.974 1.864 7.945 300 HG3 GLN 37 HG3 GLN 37 5.364 1.417 9.605 301 HE21 GLN 37 HE21 GLN 37 3.001 0.777 8.067 302 HE22 GLN 37 HE22 GLN 37 1.657 1.424 8.937 303 H ALA 38 H ALA 38 9.455 4.300 8.552 304 HA ALA 38 HA ALA 38 8.743 6.937 7.528 305 HB1 ALA 38 HB1 ALA 38 10.405 7.906 9.263 306 HB2 ALA 38 HB2 ALA 38 8.748 7.557 9.758 307 HB3 ALA 38 HB3 ALA 38 10.047 6.438 10.173 308 H ILE 39 H ILE 39 9.995 7.301 5.829 309 HA ILE 39 HA ILE 39 12.121 5.748 4.998 310 HB ILE 39 HB ILE 39 11.668 8.668 4.366 311 HG12 ILE 39 HG12 ILE 39 10.821 6.243 2.776 312 HG13 ILE 39 HG13 ILE 39 9.758 7.073 3.907 313 HG21 ILE 39 HG21 ILE 39 13.667 6.732 3.490 314 HG22 ILE 39 HG22 ILE 39 12.806 7.507 2.161 315 HG23 ILE 39 HG23 ILE 39 13.654 8.490 3.354 316 HD11 ILE 39 HD11 ILE 39 9.127 8.178 2.060 317 HD12 ILE 39 HD12 ILE 39 10.560 9.149 2.401 318 HD13 ILE 39 HD13 ILE 39 10.638 7.847 1.214 319 H ASP 40 H ASP 40 12.253 8.868 6.704 320 HA ASP 40 HA ASP 40 15.013 9.149 6.830 321 HB2 ASP 40 HB2 ASP 40 12.814 10.063 8.675 322 HB3 ASP 40 HB3 ASP 40 14.503 10.459 8.979 323 H TRP 41 H TRP 41 12.907 7.042 8.596 324 HA TRP 41 HA TRP 41 14.849 6.439 10.648 325 HB2 TRP 41 HB2 TRP 41 12.293 6.380 10.904 326 HB3 TRP 41 HB3 TRP 41 12.366 4.841 10.050 327 HD1 TRP 41 HD1 TRP 41 13.086 6.428 13.421 328 HE1 TRP 41 HE1 TRP 41 13.668 4.578 15.114 329 HE3 TRP 41 HE3 TRP 41 13.457 2.470 10.205 330 HZ2 TRP 41 HZ2 TRP 41 14.212 1.809 15.090 331 HZ3 TRP 41 HZ3 TRP 41 14.013 0.255 11.121 332 HH2 TRP 41 HH2 TRP 41 14.382 -0.067 13.512 333 H VAL 42 H VAL 42 13.938 5.217 7.539 334 HA VAL 42 HA VAL 42 15.155 2.635 7.866 335 HB VAL 42 HB VAL 42 14.313 4.073 5.346 336 HG11 VAL 42 HG11 VAL 42 15.709 1.564 5.803 337 HG12 VAL 42 HG12 VAL 42 14.222 1.358 4.875 338 HG13 VAL 42 HG13 VAL 42 15.469 2.470 4.309 339 HG21 VAL 42 HG21 VAL 42 12.893 1.941 6.940 340 HG22 VAL 42 HG22 VAL 42 12.463 3.651 6.907 341 HG23 VAL 42 HG23 VAL 42 12.323 2.678 5.442 342 H VAL 43 H VAL 43 16.065 5.701 6.350 343 HA VAL 43 HA VAL 43 18.503 4.799 5.237 344 HB VAL 43 HB VAL 43 17.829 7.617 6.089 345 HG11 VAL 43 HG11 VAL 43 19.942 7.968 5.445 346 HG12 VAL 43 HG12 VAL 43 20.065 6.386 4.673 347 HG13 VAL 43 HG13 VAL 43 19.339 7.739 3.804 348 HG21 VAL 43 HG21 VAL 43 16.081 6.652 4.647 349 HG22 VAL 43 HG22 VAL 43 16.961 7.954 3.849 350 HG23 VAL 43 HG23 VAL 43 17.307 6.274 3.438 351 H SER 44 H SER 44 17.620 6.034 8.393 352 HA SER 44 HA SER 44 20.198 6.605 9.359 353 HB2 SER 44 HB2 SER 44 17.712 5.744 10.857 354 HB3 SER 44 HB3 SER 44 19.166 6.394 11.614 355 HG SER 44 HG SER 44 18.641 8.340 10.969 356 H LYS 45 H LYS 45 18.531 3.627 8.854 357 HA LYS 45 HA LYS 45 20.422 2.133 10.507 358 HB2 LYS 45 HB2 LYS 45 18.012 1.190 8.942 359 HB3 LYS 45 HB3 LYS 45 18.999 0.184 9.994 360 HG2 LYS 45 HG2 LYS 45 17.499 2.614 10.938 361 HG3 LYS 45 HG3 LYS 45 16.851 0.973 10.992 362 HD2 LYS 45 HD2 LYS 45 19.529 1.478 12.190 363 HD3 LYS 45 HD3 LYS 45 18.101 2.037 13.064 364 HE2 LYS 45 HE2 LYS 45 18.371 -0.086 13.919 365 HE3 LYS 45 HE3 LYS 45 17.221 -0.372 12.614 366 HZ1 LYS 45 HZ1 LYS 45 20.025 -0.568 11.890 367 HZ2 LYS 45 HZ2 LYS 45 18.717 -1.540 11.435 368 HZ3 LYS 45 HZ3 LYS 45 19.459 -1.770 12.938 369 H ILE 46 H ILE 46 21.133 3.511 7.955 370 HA ILE 46 HA ILE 46 22.109 1.152 6.481 371 HB ILE 46 HB ILE 46 21.533 3.900 5.366 372 HG12 ILE 46 HG12 ILE 46 20.114 1.259 4.950 373 HG13 ILE 46 HG13 ILE 46 19.492 2.627 5.865 374 HG21 ILE 46 HG21 ILE 46 22.475 1.385 3.994 375 HG22 ILE 46 HG22 ILE 46 22.037 2.892 3.191 376 HG23 ILE 46 HG23 ILE 46 23.431 2.841 4.270 377 HD11 ILE 46 HD11 ILE 46 19.636 3.960 3.734 378 HD12 ILE 46 HD12 ILE 46 19.944 2.433 2.906 379 HD13 ILE 46 HD13 ILE 46 18.426 2.678 3.770 380 H LYS 47 H LYS 47 22.871 4.268 7.860 381 HA LYS 47 HA LYS 47 25.496 4.510 6.826 382 HB2 LYS 47 HB2 LYS 47 24.122 5.709 9.226 383 HB3 LYS 47 HB3 LYS 47 25.792 6.079 8.819 384 HG2 LYS 47 HG2 LYS 47 24.779 7.806 7.761 385 HG3 LYS 47 HG3 LYS 47 24.706 6.614 6.461 386 HD2 LYS 47 HD2 LYS 47 22.454 6.312 6.681 387 HD3 LYS 47 HD3 LYS 47 22.465 6.669 8.409 388 HE2 LYS 47 HE2 LYS 47 23.057 9.076 7.654 389 HE3 LYS 47 HE3 LYS 47 22.446 8.556 6.084 390 HZ1 LYS 47 HZ1 LYS 47 20.520 9.291 6.963 391 HZ2 LYS 47 HZ2 LYS 47 21.007 9.048 8.565 392 HZ3 LYS 47 HZ3 LYS 47 20.469 7.740 7.636 393 H GLN 48 H GLN 48 24.131 2.690 9.431 394 HA GLN 48 HA GLN 48 26.700 2.201 10.690 395 HB2 GLN 48 HB2 GLN 48 25.388 0.761 12.232 396 HB3 GLN 48 HB3 GLN 48 24.793 2.414 12.151 397 HG2 GLN 48 HG2 GLN 48 22.918 1.794 10.885 398 HG3 GLN 48 HG3 GLN 48 23.599 0.214 10.502 399 HE21 GLN 48 HE21 GLN 48 23.680 -1.375 12.145 400 HE22 GLN 48 HE22 GLN 48 22.610 -1.306 13.500 401 H ILE 49 H ILE 49 24.591 0.715 8.385 402 HA ILE 49 HA ILE 49 25.756 -1.909 8.598 403 HB ILE 49 HB ILE 49 24.071 -0.828 6.341 404 HG12 ILE 49 HG12 ILE 49 22.863 -0.503 8.420 405 HG13 ILE 49 HG13 ILE 49 22.155 -1.856 7.544 406 HG21 ILE 49 HG21 ILE 49 24.041 -3.665 7.209 407 HG22 ILE 49 HG22 ILE 49 23.838 -2.970 5.602 408 HG23 ILE 49 HG23 ILE 49 25.447 -3.091 6.313 409 HD11 ILE 49 HD11 ILE 49 22.276 -2.918 9.498 410 HD12 ILE 49 HD12 ILE 49 23.990 -3.102 9.126 411 HD13 ILE 49 HD13 ILE 49 23.448 -1.776 10.154 412 H LEU 50 H LEU 50 25.575 0.284 5.793 413 HA LEU 50 HA LEU 50 27.910 -0.902 4.617 414 HB2 LEU 50 HB2 LEU 50 25.992 1.249 3.869 415 HB3 LEU 50 HB3 LEU 50 27.553 1.189 3.051 416 HG LEU 50 HG LEU 50 25.687 0.079 1.823 417 HD11 LEU 50 HD11 LEU 50 27.159 -2.241 1.907 418 HD12 LEU 50 HD12 LEU 50 28.304 -1.020 2.462 419 HD13 LEU 50 HD13 LEU 50 27.502 -0.832 0.903 420 HD21 LEU 50 HD21 LEU 50 24.493 -0.842 3.735 421 HD22 LEU 50 HD22 LEU 50 25.856 -1.903 4.092 422 HD23 LEU 50 HD23 LEU 50 24.938 -2.117 2.601 423 H GLY 51 H GLY 51 27.171 2.461 5.576 424 HA2 GLY 51 HA2 GLY 51 28.775 3.509 7.158 425 HA3 GLY 51 HA3 GLY 51 30.046 2.782 6.186 426 H ILE 52 H ILE 52 27.253 4.099 4.617 427 HA ILE 52 HA ILE 52 28.721 5.782 2.941 428 HB ILE 52 HB ILE 52 26.421 4.972 2.464 429 HG12 ILE 52 HG12 ILE 52 25.588 7.325 1.666 430 HG13 ILE 52 HG13 ILE 52 27.151 7.874 2.262 431 HG21 ILE 52 HG21 ILE 52 25.143 7.190 3.893 432 HG22 ILE 52 HG22 ILE 52 24.618 5.521 3.682 433 HG23 ILE 52 HG23 ILE 52 25.794 5.923 4.933 434 HD11 ILE 52 HD11 ILE 52 27.406 5.531 0.591 435 HD12 ILE 52 HD12 ILE 52 26.601 6.860 -0.244 436 HD13 ILE 52 HD13 ILE 52 28.196 7.102 0.469 437 H LYS 53 H LYS 53 29.382 7.852 3.055 438 HA LYS 53 HA LYS 53 28.303 9.691 4.996 439 HB2 LYS 53 HB2 LYS 53 30.555 10.146 6.018 440 HB3 LYS 53 HB3 LYS 53 29.839 8.604 6.464 441 HG2 LYS 53 HG2 LYS 53 31.303 7.406 5.047 442 HG3 LYS 53 HG3 LYS 53 31.855 8.883 4.254 443 HD2 LYS 53 HD2 LYS 53 33.596 8.430 5.709 444 HD3 LYS 53 HD3 LYS 53 32.621 9.566 6.643 445 HE2 LYS 53 HE2 LYS 53 32.261 6.593 6.875 446 HE3 LYS 53 HE3 LYS 53 33.460 7.462 7.831 447 HZ1 LYS 53 HZ1 LYS 53 31.355 8.954 8.332 448 HZ2 LYS 53 HZ2 LYS 53 31.715 7.577 9.246 449 HZ3 LYS 53 HZ3 LYS 53 30.549 7.499 8.022 Start of MODEL 3 1 H1 MET 1 H MET 1 0.881 -1.471 0.588 2 HA MET 1 HA MET 1 1.654 -0.148 -1.910 3 HB2 MET 1 HB2 MET 1 2.212 0.686 0.942 4 HB3 MET 1 HB3 MET 1 2.538 1.634 -0.502 5 HG2 MET 1 HG2 MET 1 0.132 1.717 -0.973 6 HG3 MET 1 HG3 MET 1 -0.174 0.808 0.505 7 HE1 MET 1 HE1 MET 1 -1.403 4.411 0.376 8 HE2 MET 1 HE2 MET 1 -1.811 2.695 0.361 9 HE3 MET 1 HE3 MET 1 -1.672 3.555 1.895 10 H ALA 2 H ALA 2 3.835 0.151 -2.473 11 HA ALA 2 HA ALA 2 5.685 -1.742 -1.175 12 HB1 ALA 2 HB1 ALA 2 6.847 -1.495 -3.531 13 HB2 ALA 2 HB2 ALA 2 5.519 -2.627 -3.274 14 HB3 ALA 2 HB3 ALA 2 5.211 -1.064 -4.031 15 H GLY 3 H GLY 3 6.065 0.148 0.296 16 HA2 GLY 3 HA2 GLY 3 7.238 2.543 -0.568 17 HA3 GLY 3 HA3 GLY 3 7.429 1.840 1.031 18 H PHE 4 H PHE 4 8.556 -0.632 -0.369 19 HA PHE 4 HA PHE 4 11.243 -0.167 0.071 20 HB2 PHE 4 HB2 PHE 4 10.452 -2.420 -0.067 21 HB3 PHE 4 HB3 PHE 4 9.879 -2.184 -1.715 22 HD1 PHE 4 HD2 PHE 4 11.426 -2.167 -3.581 23 HD2 PHE 4 HD1 PHE 4 12.784 -2.793 0.404 24 HE1 PHE 4 HE2 PHE 4 13.576 -2.994 -4.447 25 HE2 PHE 4 HE1 PHE 4 14.936 -3.620 -0.455 26 HZ PHE 4 HZ PHE 4 15.334 -3.722 -2.884 27 H LEU 5 H LEU 5 9.691 -0.428 -3.133 28 HA LEU 5 HA LEU 5 11.869 0.360 -4.657 29 HB2 LEU 5 HB2 LEU 5 8.911 0.577 -5.085 30 HB3 LEU 5 HB3 LEU 5 10.051 1.186 -6.284 31 HG LEU 5 HG LEU 5 10.598 -1.564 -5.479 32 HD11 LEU 5 HD11 LEU 5 8.669 -2.459 -6.817 33 HD12 LEU 5 HD12 LEU 5 7.933 -0.862 -6.688 34 HD13 LEU 5 HD13 LEU 5 8.251 -1.806 -5.232 35 HD21 LEU 5 HD21 LEU 5 11.354 -1.685 -7.584 36 HD22 LEU 5 HD22 LEU 5 11.185 0.071 -7.582 37 HD23 LEU 5 HD23 LEU 5 9.902 -0.938 -8.253 38 H LYS 6 H LYS 6 9.715 2.259 -2.720 39 HA LYS 6 HA LYS 6 10.342 4.779 -3.933 40 HB2 LYS 6 HB2 LYS 6 8.296 4.024 -2.424 41 HB3 LYS 6 HB3 LYS 6 9.339 4.596 -1.128 42 HG2 LYS 6 HG2 LYS 6 9.546 6.739 -2.550 43 HG3 LYS 6 HG3 LYS 6 8.108 6.135 -3.376 44 HD2 LYS 6 HD2 LYS 6 7.000 5.953 -1.142 45 HD3 LYS 6 HD3 LYS 6 8.405 6.758 -0.440 46 HE2 LYS 6 HE2 LYS 6 6.682 8.390 -0.826 47 HE3 LYS 6 HE3 LYS 6 8.003 8.676 -1.958 48 HZ1 LYS 6 HZ1 LYS 6 5.877 8.844 -3.065 49 HZ2 LYS 6 HZ2 LYS 6 5.453 7.283 -2.572 50 HZ3 LYS 6 HZ3 LYS 6 6.727 7.509 -3.661 51 H VAL 7 H VAL 7 11.217 3.268 -0.824 52 HA VAL 7 HA VAL 7 13.038 5.268 -0.038 53 HB VAL 7 HB VAL 7 13.928 3.571 1.542 54 HG11 VAL 7 HG11 VAL 7 10.993 4.090 1.298 55 HG12 VAL 7 HG12 VAL 7 11.613 3.092 2.615 56 HG13 VAL 7 HG13 VAL 7 12.158 4.761 2.439 57 HG21 VAL 7 HG21 VAL 7 11.883 1.702 0.363 58 HG22 VAL 7 HG22 VAL 7 13.598 1.645 -0.045 59 HG23 VAL 7 HG23 VAL 7 13.076 1.352 1.614 60 H VAL 8 H VAL 8 13.315 2.603 -2.221 61 HA VAL 8 HA VAL 8 16.200 2.533 -2.190 62 HB VAL 8 HB VAL 8 14.227 1.253 -4.087 63 HG11 VAL 8 HG11 VAL 8 16.192 1.346 -5.321 64 HG12 VAL 8 HG12 VAL 8 17.214 1.134 -3.898 65 HG13 VAL 8 HG13 VAL 8 16.295 -0.230 -4.536 66 HG21 VAL 8 HG21 VAL 8 13.953 -0.331 -2.555 67 HG22 VAL 8 HG22 VAL 8 15.696 -0.580 -2.454 68 HG23 VAL 8 HG23 VAL 8 14.917 0.625 -1.429 69 H GLN 9 H GLN 9 13.721 4.227 -3.900 70 HA GLN 9 HA GLN 9 15.161 4.885 -6.239 71 HB2 GLN 9 HB2 GLN 9 12.768 6.034 -4.851 72 HB3 GLN 9 HB3 GLN 9 13.496 6.903 -6.195 73 HG2 GLN 9 HG2 GLN 9 12.929 4.039 -6.628 74 HG3 GLN 9 HG3 GLN 9 11.538 5.112 -6.488 75 HE21 GLN 9 HE21 GLN 9 10.931 4.913 -8.614 76 HE22 GLN 9 HE22 GLN 9 11.843 5.582 -9.919 77 H LEU 10 H LEU 10 15.224 6.121 -3.007 78 HA LEU 10 HA LEU 10 16.460 8.624 -3.655 79 HB2 LEU 10 HB2 LEU 10 15.937 7.109 -1.131 80 HB3 LEU 10 HB3 LEU 10 17.014 8.504 -1.118 81 HG LEU 10 HG LEU 10 14.796 9.147 -0.396 82 HD11 LEU 10 HD11 LEU 10 14.614 11.071 -1.650 83 HD12 LEU 10 HD12 LEU 10 14.995 10.250 -3.163 84 HD13 LEU 10 HD13 LEU 10 16.272 10.576 -1.992 85 HD21 LEU 10 HD21 LEU 10 13.815 7.252 -1.995 86 HD22 LEU 10 HD22 LEU 10 13.588 8.644 -3.054 87 HD23 LEU 10 HD23 LEU 10 12.854 8.627 -1.449 88 H LEU 11 H LEU 11 17.559 5.407 -2.838 89 HA LEU 11 HA LEU 11 20.197 5.920 -2.131 90 HB2 LEU 11 HB2 LEU 11 18.806 3.613 -3.415 91 HB3 LEU 11 HB3 LEU 11 20.564 3.604 -3.295 92 HG LEU 11 HG LEU 11 19.583 2.342 -1.476 93 HD11 LEU 11 HD11 LEU 11 20.894 3.195 0.214 94 HD12 LEU 11 HD12 LEU 11 20.505 4.868 -0.180 95 HD13 LEU 11 HD13 LEU 11 21.610 3.955 -1.207 96 HD21 LEU 11 HD21 LEU 11 17.479 3.937 -1.559 97 HD22 LEU 11 HD22 LEU 11 18.360 4.773 -0.279 98 HD23 LEU 11 HD23 LEU 11 17.926 3.074 -0.087 99 H ALA 12 H ALA 12 18.648 6.081 -5.222 100 HA ALA 12 HA ALA 12 20.747 5.740 -6.986 101 HB1 ALA 12 HB1 ALA 12 19.104 6.208 -8.399 102 HB2 ALA 12 HB2 ALA 12 18.119 6.837 -7.077 103 HB3 ALA 12 HB3 ALA 12 19.214 7.910 -7.949 104 H LYS 13 H LYS 13 19.919 8.555 -5.035 105 HA LYS 13 HA LYS 13 21.701 10.383 -6.218 106 HB2 LYS 13 HB2 LYS 13 21.312 11.772 -4.336 107 HB3 LYS 13 HB3 LYS 13 19.810 10.900 -4.611 108 HG2 LYS 13 HG2 LYS 13 19.941 10.600 -2.381 109 HG3 LYS 13 HG3 LYS 13 20.947 9.232 -2.864 110 HD2 LYS 13 HD2 LYS 13 22.339 10.195 -1.333 111 HD3 LYS 13 HD3 LYS 13 22.849 11.076 -2.774 112 HE2 LYS 13 HE2 LYS 13 22.540 12.656 -1.004 113 HE3 LYS 13 HE3 LYS 13 21.232 12.871 -2.165 114 HZ1 LYS 13 HZ1 LYS 13 19.754 11.670 -0.733 115 HZ2 LYS 13 HZ2 LYS 13 20.483 12.904 0.165 116 HZ3 LYS 13 HZ3 LYS 13 21.004 11.305 0.347 117 H TYR 14 H TYR 14 22.143 7.896 -3.801 118 HA TYR 14 HA TYR 14 24.723 8.779 -2.944 119 HB2 TYR 14 HB2 TYR 14 23.117 6.271 -2.567 120 HB3 TYR 14 HB3 TYR 14 24.807 6.323 -2.077 121 HD1 TYR 14 HD2 TYR 14 25.516 8.092 -0.398 122 HD2 TYR 14 HD1 TYR 14 21.438 7.177 -1.195 123 HE1 TYR 14 HE2 TYR 14 24.871 9.137 1.733 124 HE2 TYR 14 HE1 TYR 14 20.782 8.221 0.933 125 HH TYR 14 HH TYR 14 22.652 10.260 2.634 126 H GLY 15 H GLY 15 23.528 6.852 -5.561 127 HA2 GLY 15 HA2 GLY 15 25.342 6.855 -7.385 128 HA3 GLY 15 HA3 GLY 15 26.257 5.943 -6.194 129 H SER 16 H SER 16 26.298 3.857 -6.655 130 HA SER 16 HA SER 16 23.813 2.487 -7.317 131 HB2 SER 16 HB2 SER 16 25.022 3.197 -9.467 132 HB3 SER 16 HB3 SER 16 26.250 2.009 -9.029 133 HG SER 16 HG SER 16 23.548 1.605 -9.714 134 H LYS 17 H LYS 17 25.830 2.623 -5.102 135 HA LYS 17 HA LYS 17 26.658 -0.202 -5.066 136 HB2 LYS 17 HB2 LYS 17 27.708 2.074 -3.376 137 HB3 LYS 17 HB3 LYS 17 28.322 0.426 -3.404 138 HG2 LYS 17 HG2 LYS 17 28.723 0.881 -5.922 139 HG3 LYS 17 HG3 LYS 17 28.595 2.579 -5.455 140 HD2 LYS 17 HD2 LYS 17 30.385 0.774 -3.893 141 HD3 LYS 17 HD3 LYS 17 30.921 1.360 -5.470 142 HE2 LYS 17 HE2 LYS 17 31.750 2.947 -3.977 143 HE3 LYS 17 HE3 LYS 17 30.275 3.687 -4.596 144 HZ1 LYS 17 HZ1 LYS 17 30.761 3.657 -2.058 145 HZ2 LYS 17 HZ2 LYS 17 30.148 2.083 -2.139 146 HZ3 LYS 17 HZ3 LYS 17 29.187 3.390 -2.618 147 H ALA 18 H ALA 18 25.642 2.339 -2.773 148 HA ALA 18 HA ALA 18 24.853 0.600 -0.726 149 HB1 ALA 18 HB1 ALA 18 23.960 3.405 -1.365 150 HB2 ALA 18 HB2 ALA 18 23.537 2.547 0.117 151 HB3 ALA 18 HB3 ALA 18 25.226 2.909 -0.241 152 H VAL 19 H VAL 19 23.276 1.521 -3.661 153 HA VAL 19 HA VAL 19 20.611 0.886 -2.879 154 HB VAL 19 HB VAL 19 20.972 2.331 -4.781 155 HG11 VAL 19 HG11 VAL 19 22.461 -0.024 -5.905 156 HG12 VAL 19 HG12 VAL 19 21.839 1.272 -6.930 157 HG13 VAL 19 HG13 VAL 19 23.028 1.630 -5.677 158 HG21 VAL 19 HG21 VAL 19 19.150 1.593 -5.856 159 HG22 VAL 19 HG22 VAL 19 19.909 0.061 -6.287 160 HG23 VAL 19 HG23 VAL 19 19.178 0.266 -4.695 161 H GLN 20 H GLN 20 23.323 -0.966 -3.994 162 HA GLN 20 HA GLN 20 21.944 -3.236 -4.945 163 HB2 GLN 20 HB2 GLN 20 24.441 -2.581 -5.189 164 HB3 GLN 20 HB3 GLN 20 24.644 -3.386 -3.639 165 HG2 GLN 20 HG2 GLN 20 25.170 -4.998 -5.247 166 HG3 GLN 20 HG3 GLN 20 23.543 -5.403 -4.702 167 HE21 GLN 20 HE21 GLN 20 25.499 -4.320 -7.327 168 HE22 GLN 20 HE22 GLN 20 24.274 -4.375 -8.544 169 H TRP 21 H TRP 21 23.052 -2.283 -1.744 170 HA TRP 21 HA TRP 21 22.722 -4.689 -0.390 171 HB2 TRP 21 HB2 TRP 21 23.735 -2.557 0.512 172 HB3 TRP 21 HB3 TRP 21 22.094 -1.965 0.756 173 HD1 TRP 21 HD1 TRP 21 24.123 -5.115 1.811 174 HE1 TRP 21 HE1 TRP 21 23.476 -5.687 4.235 175 HE3 TRP 21 HE3 TRP 21 20.639 -1.459 2.605 176 HZ2 TRP 21 HZ2 TRP 21 21.720 -4.718 6.221 177 HZ3 TRP 21 HZ3 TRP 21 19.521 -1.351 4.795 178 HH2 TRP 21 HH2 TRP 21 20.052 -2.948 6.564 179 H ALA 22 H ALA 22 20.371 -2.014 -0.627 180 HA ALA 22 HA ALA 22 18.243 -3.212 0.655 181 HB1 ALA 22 HB1 ALA 22 18.114 -0.908 0.084 182 HB2 ALA 22 HB2 ALA 22 18.259 -1.262 -1.639 183 HB3 ALA 22 HB3 ALA 22 16.800 -1.725 -0.763 184 H TRP 23 H TRP 23 18.928 -3.258 -2.844 185 HA TRP 23 HA TRP 23 16.795 -4.878 -3.610 186 HB2 TRP 23 HB2 TRP 23 19.462 -4.228 -4.782 187 HB3 TRP 23 HB3 TRP 23 18.548 -5.561 -5.483 188 HD1 TRP 23 HD1 TRP 23 18.714 -1.803 -5.382 189 HE1 TRP 23 HE1 TRP 23 16.891 -0.819 -6.909 190 HE3 TRP 23 HE3 TRP 23 16.059 -6.068 -6.327 191 HZ2 TRP 23 HZ2 TRP 23 14.626 -1.731 -8.326 192 HZ3 TRP 23 HZ3 TRP 23 14.077 -5.927 -7.778 193 HH2 TRP 23 HH2 TRP 23 13.377 -3.802 -8.756 194 H ALA 24 H ALA 24 20.125 -5.807 -2.767 195 HA ALA 24 HA ALA 24 19.948 -8.535 -3.174 196 HB1 ALA 24 HB1 ALA 24 22.080 -8.146 -2.627 197 HB2 ALA 24 HB2 ALA 24 21.666 -6.745 -1.637 198 HB3 ALA 24 HB3 ALA 24 21.552 -8.369 -0.958 199 H ASN 25 H ASN 25 19.839 -7.129 0.097 200 HA ASN 25 HA ASN 25 18.372 -9.404 1.077 201 HB2 ASN 25 HB2 ASN 25 19.234 -6.841 2.436 202 HB3 ASN 25 HB3 ASN 25 18.473 -8.199 3.258 203 HD21 ASN 25 HD21 ASN 25 21.294 -7.209 1.415 204 HD22 ASN 25 HD22 ASN 25 22.364 -8.402 2.061 205 H LYS 26 H LYS 26 16.318 -9.485 0.326 206 HA LYS 26 HA LYS 26 14.654 -7.082 0.468 207 HB2 LYS 26 HB2 LYS 26 12.996 -8.476 -0.784 208 HB3 LYS 26 HB3 LYS 26 14.519 -8.236 -1.630 209 HG2 LYS 26 HG2 LYS 26 15.194 -10.434 -1.299 210 HG3 LYS 26 HG3 LYS 26 14.060 -10.683 0.031 211 HD2 LYS 26 HD2 LYS 26 12.215 -10.358 -1.694 212 HD3 LYS 26 HD3 LYS 26 13.478 -10.520 -2.916 213 HE2 LYS 26 HE2 LYS 26 12.738 -12.553 -0.814 214 HE3 LYS 26 HE3 LYS 26 12.387 -12.655 -2.538 215 HZ1 LYS 26 HZ1 LYS 26 14.271 -13.954 -2.273 216 HZ2 LYS 26 HZ2 LYS 26 14.992 -12.891 -1.173 217 HZ3 LYS 26 HZ3 LYS 26 14.909 -12.483 -2.812 218 H GLY 27 H GLY 27 15.499 -8.493 2.879 219 HA2 GLY 27 HA2 GLY 27 12.816 -9.173 3.902 220 HA3 GLY 27 HA3 GLY 27 14.210 -10.161 4.309 221 H LYS 28 H LYS 28 16.075 -8.043 4.656 222 HA LYS 28 HA LYS 28 15.601 -7.408 7.361 223 HB2 LYS 28 HB2 LYS 28 17.841 -7.588 6.137 224 HB3 LYS 28 HB3 LYS 28 17.539 -5.950 5.572 225 HG2 LYS 28 HG2 LYS 28 18.872 -5.640 7.440 226 HG3 LYS 28 HG3 LYS 28 17.241 -5.370 8.059 227 HD2 LYS 28 HD2 LYS 28 18.229 -6.753 9.661 228 HD3 LYS 28 HD3 LYS 28 17.280 -7.865 8.672 229 HE2 LYS 28 HE2 LYS 28 19.306 -8.434 7.402 230 HE3 LYS 28 HE3 LYS 28 20.243 -7.346 8.426 231 HZ1 LYS 28 HZ1 LYS 28 19.240 -8.813 10.312 232 HZ2 LYS 28 HZ2 LYS 28 20.598 -9.341 9.452 233 HZ3 LYS 28 HZ3 LYS 28 19.067 -9.955 9.076 234 H ILE 29 H ILE 29 15.826 -5.202 4.562 235 HA ILE 29 HA ILE 29 14.753 -2.989 5.985 236 HB ILE 29 HB ILE 29 14.838 -3.335 2.989 237 HG12 ILE 29 HG12 ILE 29 16.969 -2.264 4.852 238 HG13 ILE 29 HG13 ILE 29 17.050 -3.779 3.960 239 HG21 ILE 29 HG21 ILE 29 14.411 -1.119 2.803 240 HG22 ILE 29 HG22 ILE 29 13.617 -1.388 4.354 241 HG23 ILE 29 HG23 ILE 29 15.248 -0.720 4.303 242 HD11 ILE 29 HD11 ILE 29 18.332 -2.343 2.687 243 HD12 ILE 29 HD12 ILE 29 16.768 -2.293 1.873 244 HD13 ILE 29 HD13 ILE 29 17.246 -0.978 2.947 245 H LEU 30 H LEU 30 13.374 -5.386 3.791 246 HA LEU 30 HA LEU 30 10.870 -4.257 3.375 247 HB2 LEU 30 HB2 LEU 30 11.986 -6.997 3.323 248 HB3 LEU 30 HB3 LEU 30 10.231 -6.856 3.409 249 HG LEU 30 HG LEU 30 11.044 -7.145 1.109 250 HD11 LEU 30 HD11 LEU 30 9.145 -6.073 0.687 251 HD12 LEU 30 HD12 LEU 30 10.100 -4.599 0.524 252 HD13 LEU 30 HD13 LEU 30 9.362 -5.004 2.074 253 HD21 LEU 30 HD21 LEU 30 13.209 -5.964 1.459 254 HD22 LEU 30 HD22 LEU 30 12.326 -4.437 1.446 255 HD23 LEU 30 HD23 LEU 30 12.342 -5.459 0.008 256 H ASP 31 H ASP 31 12.191 -5.773 6.192 257 HA ASP 31 HA ASP 31 9.661 -6.255 7.471 258 HB2 ASP 31 HB2 ASP 31 11.943 -7.440 7.881 259 HB3 ASP 31 HB3 ASP 31 12.273 -6.070 8.939 260 H TRP 32 H TRP 32 12.234 -3.833 7.759 261 HA TRP 32 HA TRP 32 11.287 -2.379 9.906 262 HB2 TRP 32 HB2 TRP 32 12.726 -1.451 7.418 263 HB3 TRP 32 HB3 TRP 32 12.420 -0.404 8.800 264 HD1 TRP 32 HD1 TRP 32 13.060 -2.911 10.917 265 HE1 TRP 32 HE1 TRP 32 15.542 -3.411 11.378 266 HE3 TRP 32 HE3 TRP 32 15.116 -0.664 6.811 267 HZ2 TRP 32 HZ2 TRP 32 18.041 -2.917 10.163 268 HZ3 TRP 32 HZ3 TRP 32 17.561 -0.722 6.535 269 HH2 TRP 32 HH2 TRP 32 18.991 -1.825 8.178 270 H LEU 33 H LEU 33 10.203 -2.357 6.569 271 HA LEU 33 HA LEU 33 8.682 -0.039 6.533 272 HB2 LEU 33 HB2 LEU 33 8.542 -2.649 5.112 273 HB3 LEU 33 HB3 LEU 33 7.179 -1.541 4.962 274 HG LEU 33 HG LEU 33 10.022 -0.817 4.265 275 HD11 LEU 33 HD11 LEU 33 7.886 -1.350 2.247 276 HD12 LEU 33 HD12 LEU 33 8.838 -2.683 2.899 277 HD13 LEU 33 HD13 LEU 33 9.639 -1.357 2.057 278 HD21 LEU 33 HD21 LEU 33 9.227 1.194 3.537 279 HD22 LEU 33 HD22 LEU 33 8.104 0.899 4.864 280 HD23 LEU 33 HD23 LEU 33 7.614 0.564 3.202 281 H ASN 34 H ASN 34 7.825 -3.266 7.703 282 HA ASN 34 HA ASN 34 5.155 -2.431 8.434 283 HB2 ASN 34 HB2 ASN 34 6.580 -5.012 9.112 284 HB3 ASN 34 HB3 ASN 34 4.847 -4.708 9.199 285 HD21 ASN 34 HD21 ASN 34 7.062 -6.260 7.474 286 HD22 ASN 34 HD22 ASN 34 6.343 -6.213 5.904 287 H ALA 35 H ALA 35 8.267 -2.724 9.929 288 HA ALA 35 HA ALA 35 7.075 -2.177 12.566 289 HB1 ALA 35 HB1 ALA 35 9.929 -2.988 12.211 290 HB2 ALA 35 HB2 ALA 35 8.856 -3.231 13.590 291 HB3 ALA 35 HB3 ALA 35 8.650 -4.200 12.131 292 H GLY 36 H GLY 36 6.896 0.051 11.395 293 HA2 GLY 36 HA2 GLY 36 8.391 1.925 12.688 294 HA3 GLY 36 HA3 GLY 36 9.326 1.585 11.239 295 H GLN 37 H GLN 37 7.445 1.284 9.315 296 HA GLN 37 HA GLN 37 6.256 2.515 7.813 297 HB2 GLN 37 HB2 GLN 37 4.917 3.250 10.407 298 HB3 GLN 37 HB3 GLN 37 4.346 3.870 8.864 299 HG2 GLN 37 HG2 GLN 37 3.667 1.785 8.128 300 HG3 GLN 37 HG3 GLN 37 4.708 0.933 9.267 301 HE21 GLN 37 HE21 GLN 37 1.904 0.527 8.807 302 HE22 GLN 37 HE22 GLN 37 1.097 0.842 10.302 303 H ALA 38 H ALA 38 8.714 3.627 8.473 304 HA ALA 38 HA ALA 38 8.164 6.441 7.935 305 HB1 ALA 38 HB1 ALA 38 10.114 6.965 9.577 306 HB2 ALA 38 HB2 ALA 38 8.481 6.731 10.202 307 HB3 ALA 38 HB3 ALA 38 9.663 5.426 10.311 308 H ILE 39 H ILE 39 9.373 7.128 6.295 309 HA ILE 39 HA ILE 39 11.272 5.465 5.029 310 HB ILE 39 HB ILE 39 10.809 8.426 4.649 311 HG12 ILE 39 HG12 ILE 39 9.724 6.096 3.055 312 HG13 ILE 39 HG13 ILE 39 8.814 6.949 4.297 313 HG21 ILE 39 HG21 ILE 39 12.599 6.483 3.357 314 HG22 ILE 39 HG22 ILE 39 11.674 7.506 2.260 315 HG23 ILE 39 HG23 ILE 39 12.721 8.238 3.475 316 HD11 ILE 39 HD11 ILE 39 9.405 9.047 2.854 317 HD12 ILE 39 HD12 ILE 39 9.616 7.845 1.580 318 HD13 ILE 39 HD13 ILE 39 8.066 7.990 2.409 319 H ASP 40 H ASP 40 11.701 8.556 6.757 320 HA ASP 40 HA ASP 40 14.476 8.664 6.646 321 HB2 ASP 40 HB2 ASP 40 12.725 9.656 8.905 322 HB3 ASP 40 HB3 ASP 40 14.350 10.215 8.518 323 H TRP 41 H TRP 41 12.395 6.721 8.618 324 HA TRP 41 HA TRP 41 14.379 6.060 10.584 325 HB2 TRP 41 HB2 TRP 41 11.833 5.984 10.874 326 HB3 TRP 41 HB3 TRP 41 11.894 4.462 9.989 327 HD1 TRP 41 HD1 TRP 41 12.797 6.007 13.359 328 HE1 TRP 41 HE1 TRP 41 13.346 4.116 15.017 329 HE3 TRP 41 HE3 TRP 41 12.794 2.056 10.114 330 HZ2 TRP 41 HZ2 TRP 41 13.728 1.320 14.957 331 HZ3 TRP 41 HZ3 TRP 41 13.261 -0.193 10.995 332 HH2 TRP 41 HH2 TRP 41 13.719 -0.552 13.366 333 H VAL 42 H VAL 42 13.435 4.844 7.478 334 HA VAL 42 HA VAL 42 14.774 2.303 7.806 335 HB VAL 42 HB VAL 42 13.632 3.591 5.323 336 HG11 VAL 42 HG11 VAL 42 15.160 1.137 5.770 337 HG12 VAL 42 HG12 VAL 42 13.648 0.895 4.893 338 HG13 VAL 42 HG13 VAL 42 14.853 2.029 4.280 339 HG21 VAL 42 HG21 VAL 42 12.349 2.432 7.555 340 HG22 VAL 42 HG22 VAL 42 11.627 2.944 6.029 341 HG23 VAL 42 HG23 VAL 42 12.203 1.288 6.220 342 H VAL 43 H VAL 43 15.317 5.294 5.967 343 HA VAL 43 HA VAL 43 17.760 4.466 4.799 344 HB VAL 43 HB VAL 43 16.869 7.301 5.336 345 HG11 VAL 43 HG11 VAL 43 19.026 7.554 4.628 346 HG12 VAL 43 HG12 VAL 43 19.015 6.053 3.700 347 HG13 VAL 43 HG13 VAL 43 18.210 7.489 3.066 348 HG21 VAL 43 HG21 VAL 43 15.149 5.976 4.148 349 HG22 VAL 43 HG22 VAL 43 15.824 7.272 3.160 350 HG23 VAL 43 HG23 VAL 43 16.337 5.606 2.899 351 H SER 44 H SER 44 16.933 5.883 7.869 352 HA SER 44 HA SER 44 19.533 6.804 8.555 353 HB2 SER 44 HB2 SER 44 16.975 6.345 10.024 354 HB3 SER 44 HB3 SER 44 18.455 6.518 10.966 355 HG SER 44 HG SER 44 17.519 8.540 10.661 356 H LYS 45 H LYS 45 18.059 3.712 8.498 357 HA LYS 45 HA LYS 45 20.016 2.558 10.334 358 HB2 LYS 45 HB2 LYS 45 17.583 1.443 8.945 359 HB3 LYS 45 HB3 LYS 45 18.716 0.422 9.820 360 HG2 LYS 45 HG2 LYS 45 18.287 2.042 11.789 361 HG3 LYS 45 HG3 LYS 45 16.851 2.505 10.873 362 HD2 LYS 45 HD2 LYS 45 15.988 0.813 12.154 363 HD3 LYS 45 HD3 LYS 45 16.508 -0.105 10.739 364 HE2 LYS 45 HE2 LYS 45 17.278 -1.317 12.609 365 HE3 LYS 45 HE3 LYS 45 18.693 -0.486 11.963 366 HZ1 LYS 45 HZ1 LYS 45 18.525 -0.356 14.397 367 HZ2 LYS 45 HZ2 LYS 45 17.067 0.486 14.249 368 HZ3 LYS 45 HZ3 LYS 45 18.501 1.171 13.670 369 H ILE 46 H ILE 46 20.571 3.647 7.553 370 HA ILE 46 HA ILE 46 21.798 1.208 6.440 371 HB ILE 46 HB ILE 46 21.130 3.709 4.892 372 HG12 ILE 46 HG12 ILE 46 19.591 1.109 5.069 373 HG13 ILE 46 HG13 ILE 46 19.067 2.662 5.712 374 HG21 ILE 46 HG21 ILE 46 22.723 1.436 4.325 375 HG22 ILE 46 HG22 ILE 46 21.284 1.353 3.310 376 HG23 ILE 46 HG23 ILE 46 22.315 2.783 3.262 377 HD11 ILE 46 HD11 ILE 46 19.170 3.529 3.346 378 HD12 ILE 46 HD12 ILE 46 19.362 1.850 2.840 379 HD13 ILE 46 HD13 ILE 46 17.904 2.352 3.695 380 H LYS 47 H LYS 47 22.327 4.337 7.717 381 HA LYS 47 HA LYS 47 24.889 4.802 6.526 382 HB2 LYS 47 HB2 LYS 47 23.894 6.039 9.086 383 HB3 LYS 47 HB3 LYS 47 25.026 6.712 7.920 384 HG2 LYS 47 HG2 LYS 47 22.092 6.244 7.429 385 HG3 LYS 47 HG3 LYS 47 22.836 7.797 7.818 386 HD2 LYS 47 HD2 LYS 47 23.694 6.157 5.448 387 HD3 LYS 47 HD3 LYS 47 22.365 7.315 5.358 388 HE2 LYS 47 HE2 LYS 47 25.106 8.055 6.352 389 HE3 LYS 47 HE3 LYS 47 24.653 8.152 4.651 390 HZ1 LYS 47 HZ1 LYS 47 23.990 10.203 5.182 391 HZ2 LYS 47 HZ2 LYS 47 23.946 9.884 6.843 392 HZ3 LYS 47 HZ3 LYS 47 22.634 9.456 5.865 393 H GLN 48 H GLN 48 23.734 2.972 9.197 394 HA GLN 48 HA GLN 48 26.389 2.795 10.405 395 HB2 GLN 48 HB2 GLN 48 25.300 1.626 12.232 396 HB3 GLN 48 HB3 GLN 48 24.437 3.117 11.881 397 HG2 GLN 48 HG2 GLN 48 22.762 1.846 10.629 398 HG3 GLN 48 HG3 GLN 48 23.621 0.355 11.009 399 HE21 GLN 48 HE21 GLN 48 22.792 -0.741 12.623 400 HE22 GLN 48 HE22 GLN 48 21.933 -0.088 13.972 401 H ILE 49 H ILE 49 24.229 1.027 8.379 402 HA ILE 49 HA ILE 49 25.454 -1.540 8.811 403 HB ILE 49 HB ILE 49 23.605 -0.643 6.597 404 HG12 ILE 49 HG12 ILE 49 22.568 -0.436 8.804 405 HG13 ILE 49 HG13 ILE 49 21.850 -1.770 7.908 406 HG21 ILE 49 HG21 ILE 49 23.405 -3.412 7.126 407 HG22 ILE 49 HG22 ILE 49 23.977 -2.617 5.660 408 HG23 ILE 49 HG23 ILE 49 25.117 -3.032 6.940 409 HD11 ILE 49 HD11 ILE 49 22.127 -2.559 10.090 410 HD12 ILE 49 HD12 ILE 49 23.456 -3.273 9.177 411 HD13 ILE 49 HD13 ILE 49 23.750 -1.883 10.222 412 H LEU 50 H LEU 50 25.110 0.278 5.768 413 HA LEU 50 HA LEU 50 27.423 -0.963 4.640 414 HB2 LEU 50 HB2 LEU 50 25.917 1.453 3.653 415 HB3 LEU 50 HB3 LEU 50 27.015 0.441 2.717 416 HG LEU 50 HG LEU 50 24.373 -0.471 3.854 417 HD11 LEU 50 HD11 LEU 50 24.568 -0.403 0.980 418 HD12 LEU 50 HD12 LEU 50 24.827 1.198 1.670 419 HD13 LEU 50 HD13 LEU 50 23.352 0.306 2.043 420 HD21 LEU 50 HD21 LEU 50 25.665 -1.931 1.657 421 HD22 LEU 50 HD22 LEU 50 24.827 -2.534 3.087 422 HD23 LEU 50 HD23 LEU 50 26.508 -2.012 3.204 423 H GLY 51 H GLY 51 26.820 1.948 6.422 424 HA2 GLY 51 HA2 GLY 51 28.420 3.286 7.463 425 HA3 GLY 51 HA3 GLY 51 29.669 2.477 6.529 426 H ILE 52 H ILE 52 26.980 3.635 4.752 427 HA ILE 52 HA ILE 52 28.590 5.383 3.204 428 HB ILE 52 HB ILE 52 26.570 4.204 2.342 429 HG12 ILE 52 HG12 ILE 52 25.758 6.115 0.979 430 HG13 ILE 52 HG13 ILE 52 26.596 7.218 2.065 431 HG21 ILE 52 HG21 ILE 52 24.664 6.216 3.156 432 HG22 ILE 52 HG22 ILE 52 24.554 4.458 3.244 433 HG23 ILE 52 HG23 ILE 52 25.331 5.359 4.546 434 HD11 ILE 52 HD11 ILE 52 28.238 5.080 0.885 435 HD12 ILE 52 HD12 ILE 52 27.634 6.308 -0.228 436 HD13 ILE 52 HD13 ILE 52 28.608 6.782 1.164 437 H LYS 53 H LYS 53 28.628 7.617 3.087 438 HA LYS 53 HA LYS 53 27.979 8.982 5.563 439 HB2 LYS 53 HB2 LYS 53 29.233 10.193 3.102 440 HB3 LYS 53 HB3 LYS 53 29.328 10.774 4.759 441 HG2 LYS 53 HG2 LYS 53 30.692 8.874 5.381 442 HG3 LYS 53 HG3 LYS 53 30.542 8.208 3.754 443 HD2 LYS 53 HD2 LYS 53 31.689 10.940 4.256 444 HD3 LYS 53 HD3 LYS 53 32.686 9.484 4.311 445 HE2 LYS 53 HE2 LYS 53 31.843 8.951 2.002 446 HE3 LYS 53 HE3 LYS 53 31.113 10.556 1.975 447 HZ1 LYS 53 HZ1 LYS 53 33.306 11.519 2.289 448 HZ2 LYS 53 HZ2 LYS 53 33.276 10.549 0.904 449 HZ3 LYS 53 HZ3 LYS 53 34.007 9.980 2.319 Start of MODEL 4 1 H1 MET 1 H MET 1 -0.010 -3.154 0.134 2 HA MET 1 HA MET 1 1.079 -1.021 -1.307 3 HB2 MET 1 HB2 MET 1 0.231 -0.736 0.950 4 HB3 MET 1 HB3 MET 1 1.478 -1.800 1.586 5 HG2 MET 1 HG2 MET 1 1.986 0.545 2.005 6 HG3 MET 1 HG3 MET 1 3.193 -0.209 0.967 7 HE1 MET 1 HE1 MET 1 0.319 1.910 1.492 8 HE2 MET 1 HE2 MET 1 0.730 3.340 0.547 9 HE3 MET 1 HE3 MET 1 -0.360 2.125 -0.122 10 H ALA 2 H ALA 2 3.053 -0.581 -2.084 11 HA ALA 2 HA ALA 2 5.228 -2.466 -1.441 12 HB1 ALA 2 HB1 ALA 2 6.116 -1.842 -3.732 13 HB2 ALA 2 HB2 ALA 2 4.662 -2.839 -3.697 14 HB3 ALA 2 HB3 ALA 2 4.539 -1.113 -4.034 15 H GLY 3 H GLY 3 6.404 -1.399 0.062 16 HA2 GLY 3 HA2 GLY 3 7.018 1.436 -0.366 17 HA3 GLY 3 HA3 GLY 3 7.280 0.537 1.120 18 H PHE 4 H PHE 4 8.458 -1.663 -0.681 19 HA PHE 4 HA PHE 4 11.142 -1.140 -0.219 20 HB2 PHE 4 HB2 PHE 4 10.257 -3.387 -0.679 21 HB3 PHE 4 HB3 PHE 4 9.948 -2.926 -2.350 22 HD1 PHE 4 HD2 PHE 4 11.868 -2.423 -3.855 23 HD2 PHE 4 HD1 PHE 4 12.393 -4.081 0.030 24 HE1 PHE 4 HE2 PHE 4 14.139 -3.139 -4.471 25 HE2 PHE 4 HE1 PHE 4 14.667 -4.798 -0.580 26 HZ PHE 4 HZ PHE 4 15.542 -4.329 -2.834 27 H LEU 5 H LEU 5 9.488 -1.035 -3.380 28 HA LEU 5 HA LEU 5 11.586 0.029 -4.852 29 HB2 LEU 5 HB2 LEU 5 8.609 0.180 -5.159 30 HB3 LEU 5 HB3 LEU 5 9.682 0.991 -6.298 31 HG LEU 5 HG LEU 5 9.011 -1.102 -7.241 32 HD11 LEU 5 HD11 LEU 5 11.121 -2.074 -7.717 33 HD12 LEU 5 HD12 LEU 5 11.805 -1.500 -6.196 34 HD13 LEU 5 HD13 LEU 5 11.398 -0.349 -7.469 35 HD21 LEU 5 HD21 LEU 5 10.092 -2.429 -4.758 36 HD22 LEU 5 HD22 LEU 5 9.369 -3.229 -6.155 37 HD23 LEU 5 HD23 LEU 5 8.381 -2.197 -5.119 38 H LYS 6 H LYS 6 9.432 1.569 -2.618 39 HA LYS 6 HA LYS 6 9.937 4.250 -3.503 40 HB2 LYS 6 HB2 LYS 6 8.919 3.423 -0.788 41 HB3 LYS 6 HB3 LYS 6 8.653 4.948 -1.622 42 HG2 LYS 6 HG2 LYS 6 7.567 2.275 -2.485 43 HG3 LYS 6 HG3 LYS 6 6.662 3.527 -1.632 44 HD2 LYS 6 HD2 LYS 6 6.833 5.021 -3.478 45 HD3 LYS 6 HD3 LYS 6 8.003 3.979 -4.292 46 HE2 LYS 6 HE2 LYS 6 5.232 3.028 -3.638 47 HE3 LYS 6 HE3 LYS 6 5.571 3.937 -5.111 48 HZ1 LYS 6 HZ1 LYS 6 5.637 1.430 -5.275 49 HZ2 LYS 6 HZ2 LYS 6 7.078 1.494 -4.392 50 HZ3 LYS 6 HZ3 LYS 6 6.976 2.256 -5.898 51 H VAL 7 H VAL 7 10.913 2.411 -0.605 52 HA VAL 7 HA VAL 7 12.680 4.336 0.409 53 HB VAL 7 HB VAL 7 13.690 2.484 1.704 54 HG11 VAL 7 HG11 VAL 7 10.737 2.881 1.568 55 HG12 VAL 7 HG12 VAL 7 11.396 1.669 2.668 56 HG13 VAL 7 HG13 VAL 7 11.881 3.358 2.822 57 HG21 VAL 7 HG21 VAL 7 13.534 0.776 -0.081 58 HG22 VAL 7 HG22 VAL 7 12.889 0.219 1.463 59 HG23 VAL 7 HG23 VAL 7 11.790 0.709 0.173 60 H VAL 8 H VAL 8 13.006 2.112 -2.200 61 HA VAL 8 HA VAL 8 15.904 2.218 -2.235 62 HB VAL 8 HB VAL 8 13.967 1.024 -4.223 63 HG11 VAL 8 HG11 VAL 8 15.976 1.526 -5.385 64 HG12 VAL 8 HG12 VAL 8 16.972 0.933 -4.055 65 HG13 VAL 8 HG13 VAL 8 16.018 -0.197 -5.016 66 HG21 VAL 8 HG21 VAL 8 13.850 -0.751 -2.894 67 HG22 VAL 8 HG22 VAL 8 15.608 -0.872 -2.838 68 HG23 VAL 8 HG23 VAL 8 14.756 0.139 -1.671 69 H GLN 9 H GLN 9 13.227 3.879 -3.666 70 HA GLN 9 HA GLN 9 14.500 4.926 -5.950 71 HB2 GLN 9 HB2 GLN 9 12.104 5.698 -4.334 72 HB3 GLN 9 HB3 GLN 9 12.709 6.810 -5.555 73 HG2 GLN 9 HG2 GLN 9 12.336 4.009 -6.401 74 HG3 GLN 9 HG3 GLN 9 10.875 4.930 -6.048 75 HE21 GLN 9 HE21 GLN 9 10.558 4.486 -8.384 76 HE22 GLN 9 HE22 GLN 9 11.210 5.619 -9.514 77 H LEU 10 H LEU 10 14.564 5.839 -2.593 78 HA LEU 10 HA LEU 10 15.664 8.450 -3.024 79 HB2 LEU 10 HB2 LEU 10 15.137 6.704 -0.676 80 HB3 LEU 10 HB3 LEU 10 16.294 8.020 -0.489 81 HG LEU 10 HG LEU 10 14.013 8.591 0.277 82 HD11 LEU 10 HD11 LEU 10 15.637 10.287 -0.569 83 HD12 LEU 10 HD12 LEU 10 13.944 10.757 -0.722 84 HD13 LEU 10 HD13 LEU 10 14.834 10.194 -2.137 85 HD21 LEU 10 HD21 LEU 10 13.016 7.192 -1.698 86 HD22 LEU 10 HD22 LEU 10 13.123 8.723 -2.567 87 HD23 LEU 10 HD23 LEU 10 12.166 8.613 -1.089 88 H LEU 11 H LEU 11 16.937 5.234 -2.523 89 HA LEU 11 HA LEU 11 19.561 5.844 -1.805 90 HB2 LEU 11 HB2 LEU 11 18.183 3.550 -3.059 91 HB3 LEU 11 HB3 LEU 11 19.931 3.623 -3.265 92 HG LEU 11 HG LEU 11 19.354 2.213 -1.381 93 HD11 LEU 11 HD11 LEU 11 20.368 4.569 0.063 94 HD12 LEU 11 HD12 LEU 11 21.256 4.118 -1.392 95 HD13 LEU 11 HD13 LEU 11 21.045 2.948 -0.090 96 HD21 LEU 11 HD21 LEU 11 17.276 3.944 -0.970 97 HD22 LEU 11 HD22 LEU 11 18.377 4.358 0.345 98 HD23 LEU 11 HD23 LEU 11 17.808 2.698 0.161 99 H ALA 12 H ALA 12 17.930 6.193 -4.821 100 HA ALA 12 HA ALA 12 19.961 6.036 -6.681 101 HB1 ALA 12 HB1 ALA 12 18.508 6.988 -8.125 102 HB2 ALA 12 HB2 ALA 12 17.366 6.710 -6.809 103 HB3 ALA 12 HB3 ALA 12 18.098 8.300 -7.020 104 H LYS 13 H LYS 13 19.175 8.684 -4.486 105 HA LYS 13 HA LYS 13 21.009 10.550 -5.585 106 HB2 LYS 13 HB2 LYS 13 20.534 11.908 -3.699 107 HB3 LYS 13 HB3 LYS 13 19.036 11.070 -4.085 108 HG2 LYS 13 HG2 LYS 13 19.014 10.698 -1.867 109 HG3 LYS 13 HG3 LYS 13 20.063 9.347 -2.306 110 HD2 LYS 13 HD2 LYS 13 21.337 10.287 -0.661 111 HD3 LYS 13 HD3 LYS 13 21.938 11.203 -2.045 112 HE2 LYS 13 HE2 LYS 13 19.593 12.221 -0.500 113 HE3 LYS 13 HE3 LYS 13 21.220 12.437 0.143 114 HZ1 LYS 13 HZ1 LYS 13 20.847 14.351 -1.083 115 HZ2 LYS 13 HZ2 LYS 13 20.059 13.535 -2.337 116 HZ3 LYS 13 HZ3 LYS 13 21.735 13.393 -2.158 117 H TYR 14 H TYR 14 21.279 7.987 -3.232 118 HA TYR 14 HA TYR 14 23.786 8.806 -2.150 119 HB2 TYR 14 HB2 TYR 14 22.111 6.337 -2.016 120 HB3 TYR 14 HB3 TYR 14 23.795 6.238 -1.516 121 HD1 TYR 14 HD2 TYR 14 24.587 7.934 0.259 122 HD2 TYR 14 HD1 TYR 14 20.489 7.099 -0.524 123 HE1 TYR 14 HE2 TYR 14 23.987 8.831 2.469 124 HE2 TYR 14 HE1 TYR 14 19.878 7.995 1.683 125 HH TYR 14 HH TYR 14 22.303 9.453 3.809 126 H GLY 15 H GLY 15 22.799 6.597 -4.727 127 HA2 GLY 15 HA2 GLY 15 24.668 6.823 -6.550 128 HA3 GLY 15 HA3 GLY 15 25.607 5.998 -5.315 129 H SER 16 H SER 16 25.956 4.123 -6.449 130 HA SER 16 HA SER 16 23.554 2.547 -7.110 131 HB2 SER 16 HB2 SER 16 26.299 2.529 -8.378 132 HB3 SER 16 HB3 SER 16 25.069 1.308 -8.704 133 HG SER 16 HG SER 16 24.006 2.691 -9.896 134 H LYS 17 H LYS 17 26.553 2.663 -5.388 135 HA LYS 17 HA LYS 17 26.790 -0.117 -4.837 136 HB2 LYS 17 HB2 LYS 17 27.882 2.198 -3.230 137 HB3 LYS 17 HB3 LYS 17 28.448 0.533 -3.191 138 HG2 LYS 17 HG2 LYS 17 29.237 0.707 -5.467 139 HG3 LYS 17 HG3 LYS 17 28.584 2.342 -5.594 140 HD2 LYS 17 HD2 LYS 17 30.177 3.220 -4.131 141 HD3 LYS 17 HD3 LYS 17 30.575 1.634 -3.466 142 HE2 LYS 17 HE2 LYS 17 32.391 2.208 -4.849 143 HE3 LYS 17 HE3 LYS 17 31.443 1.047 -5.778 144 HZ1 LYS 17 HZ1 LYS 17 30.337 3.272 -6.630 145 HZ2 LYS 17 HZ2 LYS 17 31.725 2.629 -7.352 146 HZ3 LYS 17 HZ3 LYS 17 31.860 3.898 -6.241 147 H ALA 18 H ALA 18 24.940 2.467 -3.462 148 HA ALA 18 HA ALA 18 24.361 1.046 -1.007 149 HB1 ALA 18 HB1 ALA 18 23.054 3.548 -2.059 150 HB2 ALA 18 HB2 ALA 18 23.043 2.947 -0.400 151 HB3 ALA 18 HB3 ALA 18 24.545 3.530 -1.117 152 H VAL 19 H VAL 19 22.464 2.158 -3.816 153 HA VAL 19 HA VAL 19 20.036 1.001 -3.160 154 HB VAL 19 HB VAL 19 20.349 2.555 -5.050 155 HG11 VAL 19 HG11 VAL 19 22.451 1.433 -5.869 156 HG12 VAL 19 HG12 VAL 19 21.416 0.205 -6.599 157 HG13 VAL 19 HG13 VAL 19 21.294 1.886 -7.120 158 HG21 VAL 19 HG21 VAL 19 18.372 1.819 -5.740 159 HG22 VAL 19 HG22 VAL 19 19.150 0.508 -6.627 160 HG23 VAL 19 HG23 VAL 19 18.676 0.274 -4.945 161 H GLN 20 H GLN 20 22.898 -0.459 -4.552 162 HA GLN 20 HA GLN 20 21.779 -2.855 -5.474 163 HB2 GLN 20 HB2 GLN 20 24.192 -1.860 -5.718 164 HB3 GLN 20 HB3 GLN 20 24.517 -2.793 -4.264 165 HG2 GLN 20 HG2 GLN 20 23.969 -4.834 -5.358 166 HG3 GLN 20 HG3 GLN 20 23.359 -3.976 -6.773 167 HE21 GLN 20 HE21 GLN 20 24.697 -4.621 -8.337 168 HE22 GLN 20 HE22 GLN 20 26.415 -4.444 -8.311 169 H TRP 21 H TRP 21 22.532 -1.758 -2.275 170 HA TRP 21 HA TRP 21 22.684 -4.256 -0.973 171 HB2 TRP 21 HB2 TRP 21 23.356 -1.974 -0.055 172 HB3 TRP 21 HB3 TRP 21 21.645 -1.713 0.274 173 HD1 TRP 21 HD1 TRP 21 24.270 -4.461 1.115 174 HE1 TRP 21 HE1 TRP 21 23.852 -5.228 3.536 175 HE3 TRP 21 HE3 TRP 21 20.212 -1.548 2.200 176 HZ2 TRP 21 HZ2 TRP 21 22.042 -4.671 5.629 177 HZ3 TRP 21 HZ3 TRP 21 19.196 -1.725 4.434 178 HH2 TRP 21 HH2 TRP 21 20.093 -3.256 6.111 179 H ALA 22 H ALA 22 19.975 -1.930 -1.030 180 HA ALA 22 HA ALA 22 18.064 -3.509 0.180 181 HB1 ALA 22 HB1 ALA 22 17.552 -1.238 -0.177 182 HB2 ALA 22 HB2 ALA 22 17.799 -1.374 -1.918 183 HB3 ALA 22 HB3 ALA 22 16.404 -2.143 -1.163 184 H TRP 23 H TRP 23 18.780 -3.257 -3.296 185 HA TRP 23 HA TRP 23 16.842 -5.121 -4.138 186 HB2 TRP 23 HB2 TRP 23 19.315 -3.959 -5.362 187 HB3 TRP 23 HB3 TRP 23 18.515 -5.312 -6.156 188 HD1 TRP 23 HD1 TRP 23 18.484 -1.654 -6.087 189 HE1 TRP 23 HE1 TRP 23 16.358 -0.725 -7.203 190 HE3 TRP 23 HE3 TRP 23 15.719 -5.951 -6.271 191 HZ2 TRP 23 HZ2 TRP 23 13.842 -1.686 -8.048 192 HZ3 TRP 23 HZ3 TRP 23 13.462 -5.860 -7.248 193 HH2 TRP 23 HH2 TRP 23 12.545 -3.771 -8.117 194 H ALA 24 H ALA 24 20.133 -5.480 -2.996 195 HA ALA 24 HA ALA 24 20.469 -8.188 -3.801 196 HB1 ALA 24 HB1 ALA 24 22.449 -6.998 -3.399 197 HB2 ALA 24 HB2 ALA 24 21.893 -6.434 -1.823 198 HB3 ALA 24 HB3 ALA 24 22.323 -8.129 -2.051 199 H ASN 25 H ASN 25 20.277 -6.948 -0.463 200 HA ASN 25 HA ASN 25 19.156 -9.494 0.393 201 HB2 ASN 25 HB2 ASN 25 19.894 -7.086 2.070 202 HB3 ASN 25 HB3 ASN 25 19.560 -8.715 2.652 203 HD21 ASN 25 HD21 ASN 25 21.930 -6.566 1.736 204 HD22 ASN 25 HD22 ASN 25 23.244 -7.674 1.564 205 H LYS 26 H LYS 26 17.059 -9.823 0.691 206 HA LYS 26 HA LYS 26 15.316 -7.514 1.220 207 HB2 LYS 26 HB2 LYS 26 13.672 -8.275 -0.320 208 HB3 LYS 26 HB3 LYS 26 15.205 -8.282 -1.182 209 HG2 LYS 26 HG2 LYS 26 15.384 -10.710 -0.774 210 HG3 LYS 26 HG3 LYS 26 13.792 -10.669 -0.011 211 HD2 LYS 26 HD2 LYS 26 12.851 -9.789 -2.128 212 HD3 LYS 26 HD3 LYS 26 14.441 -9.966 -2.873 213 HE2 LYS 26 HE2 LYS 26 12.889 -12.226 -1.621 214 HE3 LYS 26 HE3 LYS 26 12.872 -11.847 -3.342 215 HZ1 LYS 26 HZ1 LYS 26 14.452 -13.594 -2.869 216 HZ2 LYS 26 HZ2 LYS 26 15.259 -12.616 -1.750 217 HZ3 LYS 26 HZ3 LYS 26 15.272 -12.210 -3.392 218 H GLY 27 H GLY 27 13.803 -7.808 2.772 219 HA2 GLY 27 HA2 GLY 27 12.242 -9.617 3.693 220 HA3 GLY 27 HA3 GLY 27 13.741 -10.465 4.046 221 H LYS 28 H LYS 28 15.187 -8.055 4.794 222 HA LYS 28 HA LYS 28 14.129 -7.808 7.502 223 HB2 LYS 28 HB2 LYS 28 16.339 -6.735 7.976 224 HB3 LYS 28 HB3 LYS 28 16.452 -8.387 7.381 225 HG2 LYS 28 HG2 LYS 28 17.094 -7.629 5.205 226 HG3 LYS 28 HG3 LYS 28 16.790 -5.948 5.650 227 HD2 LYS 28 HD2 LYS 28 19.090 -6.104 5.862 228 HD3 LYS 28 HD3 LYS 28 18.543 -6.395 7.515 229 HE2 LYS 28 HE2 LYS 28 18.863 -8.732 5.703 230 HE3 LYS 28 HE3 LYS 28 20.319 -7.962 6.332 231 HZ1 LYS 28 HZ1 LYS 28 18.233 -8.518 8.275 232 HZ2 LYS 28 HZ2 LYS 28 19.911 -8.686 8.409 233 HZ3 LYS 28 HZ3 LYS 28 19.003 -9.874 7.618 234 H ILE 29 H ILE 29 14.660 -5.916 4.626 235 HA ILE 29 HA ILE 29 14.324 -3.363 5.866 236 HB ILE 29 HB ILE 29 14.015 -4.123 2.959 237 HG12 ILE 29 HG12 ILE 29 16.395 -3.002 4.457 238 HG13 ILE 29 HG13 ILE 29 16.246 -4.650 3.857 239 HG21 ILE 29 HG21 ILE 29 13.428 -2.020 2.572 240 HG22 ILE 29 HG22 ILE 29 13.408 -1.722 4.309 241 HG23 ILE 29 HG23 ILE 29 14.882 -1.438 3.383 242 HD11 ILE 29 HD11 ILE 29 15.970 -3.590 1.552 243 HD12 ILE 29 HD12 ILE 29 16.579 -2.115 2.305 244 HD13 ILE 29 HD13 ILE 29 17.574 -3.571 2.284 245 H LEU 30 H LEU 30 12.203 -5.562 4.074 246 HA LEU 30 HA LEU 30 9.948 -3.952 3.881 247 HB2 LEU 30 HB2 LEU 30 10.358 -6.908 4.056 248 HB3 LEU 30 HB3 LEU 30 8.726 -6.244 4.050 249 HG LEU 30 HG LEU 30 9.355 -6.968 1.827 250 HD11 LEU 30 HD11 LEU 30 8.228 -5.271 0.941 251 HD12 LEU 30 HD12 LEU 30 9.549 -4.144 1.249 252 HD13 LEU 30 HD13 LEU 30 8.354 -4.467 2.506 253 HD21 LEU 30 HD21 LEU 30 11.848 -6.533 2.300 254 HD22 LEU 30 HD22 LEU 30 11.513 -4.888 1.760 255 HD23 LEU 30 HD23 LEU 30 11.241 -6.248 0.669 256 H ASP 31 H ASP 31 11.294 -5.579 6.625 257 HA ASP 31 HA ASP 31 8.931 -5.509 8.238 258 HB2 ASP 31 HB2 ASP 31 11.132 -6.956 8.458 259 HB3 ASP 31 HB3 ASP 31 11.663 -5.598 9.447 260 H TRP 32 H TRP 32 11.781 -3.456 7.871 261 HA TRP 32 HA TRP 32 11.445 -1.733 10.001 262 HB2 TRP 32 HB2 TRP 32 12.516 -1.285 7.222 263 HB3 TRP 32 HB3 TRP 32 12.497 0.005 8.421 264 HD1 TRP 32 HD1 TRP 32 13.260 -2.146 10.857 265 HE1 TRP 32 HE1 TRP 32 15.738 -2.810 11.064 266 HE3 TRP 32 HE3 TRP 32 14.837 -0.874 6.162 267 HZ2 TRP 32 HZ2 TRP 32 18.055 -2.797 9.451 268 HZ3 TRP 32 HZ3 TRP 32 17.199 -1.231 5.575 269 HH2 TRP 32 HH2 TRP 32 18.774 -2.172 7.186 270 H LEU 33 H LEU 33 9.854 -1.684 6.847 271 HA LEU 33 HA LEU 33 8.555 0.779 7.070 272 HB2 LEU 33 HB2 LEU 33 7.981 -1.742 5.571 273 HB3 LEU 33 HB3 LEU 33 6.811 -0.425 5.557 274 HG LEU 33 HG LEU 33 9.676 -0.068 4.705 275 HD11 LEU 33 HD11 LEU 33 7.287 -0.726 2.988 276 HD12 LEU 33 HD12 LEU 33 8.668 -1.777 3.295 277 HD13 LEU 33 HD13 LEU 33 8.887 -0.272 2.402 278 HD21 LEU 33 HD21 LEU 33 7.161 1.554 4.518 279 HD22 LEU 33 HD22 LEU 33 8.505 1.815 3.406 280 HD23 LEU 33 HD23 LEU 33 8.743 2.023 5.141 281 H ASN 34 H ASN 34 7.556 -2.450 8.126 282 HA ASN 34 HA ASN 34 4.974 -1.747 8.995 283 HB2 ASN 34 HB2 ASN 34 6.831 -4.025 9.457 284 HB3 ASN 34 HB3 ASN 34 5.502 -3.826 10.596 285 HD21 ASN 34 HD21 ASN 34 6.215 -4.009 7.140 286 HD22 ASN 34 HD22 ASN 34 4.739 -4.792 6.698 287 H ALA 35 H ALA 35 8.050 -1.987 10.758 288 HA ALA 35 HA ALA 35 7.002 -1.238 13.274 289 HB1 ALA 35 HB1 ALA 35 9.835 -0.917 12.293 290 HB2 ALA 35 HB2 ALA 35 9.293 -0.977 13.971 291 HB3 ALA 35 HB3 ALA 35 9.159 -2.408 12.950 292 H GLY 36 H GLY 36 8.094 0.586 10.508 293 HA2 GLY 36 HA2 GLY 36 6.870 2.972 11.394 294 HA3 GLY 36 HA3 GLY 36 8.599 3.063 11.697 295 H GLN 37 H GLN 37 6.154 3.554 9.443 296 HA GLN 37 HA GLN 37 7.738 3.200 7.070 297 HB2 GLN 37 HB2 GLN 37 5.812 4.291 5.933 298 HB3 GLN 37 HB3 GLN 37 5.356 2.896 6.902 299 HG2 GLN 37 HG2 GLN 37 4.213 4.144 8.421 300 HG3 GLN 37 HG3 GLN 37 5.223 5.569 8.177 301 HE21 GLN 37 HE21 GLN 37 2.239 4.269 7.652 302 HE22 GLN 37 HE22 GLN 37 1.707 5.289 6.364 303 H ALA 38 H ALA 38 9.398 4.645 8.384 304 HA ALA 38 HA ALA 38 9.040 7.416 7.440 305 HB1 ALA 38 HB1 ALA 38 10.784 7.875 9.333 306 HB2 ALA 38 HB2 ALA 38 9.070 7.712 9.720 307 HB3 ALA 38 HB3 ALA 38 10.168 6.358 9.990 308 H ILE 39 H ILE 39 10.256 7.719 5.694 309 HA ILE 39 HA ILE 39 12.340 6.155 4.791 310 HB ILE 39 HB ILE 39 11.981 9.116 4.315 311 HG12 ILE 39 HG12 ILE 39 9.991 7.774 3.738 312 HG13 ILE 39 HG13 ILE 39 10.762 8.448 2.307 313 HG21 ILE 39 HG21 ILE 39 13.225 8.671 2.219 314 HG22 ILE 39 HG22 ILE 39 14.194 8.423 3.672 315 HG23 ILE 39 HG23 ILE 39 13.547 7.036 2.796 316 HD11 ILE 39 HD11 ILE 39 10.084 5.778 2.805 317 HD12 ILE 39 HD12 ILE 39 10.972 6.433 1.429 318 HD13 ILE 39 HD13 ILE 39 11.845 5.859 2.850 319 H ASP 40 H ASP 40 12.554 9.171 6.667 320 HA ASP 40 HA ASP 40 15.321 9.366 6.815 321 HB2 ASP 40 HB2 ASP 40 13.125 10.250 8.675 322 HB3 ASP 40 HB3 ASP 40 14.819 10.550 9.054 323 H TRP 41 H TRP 41 13.148 7.225 8.456 324 HA TRP 41 HA TRP 41 15.134 6.425 10.420 325 HB2 TRP 41 HB2 TRP 41 12.657 6.578 10.921 326 HB3 TRP 41 HB3 TRP 41 12.441 5.157 9.903 327 HD1 TRP 41 HD1 TRP 41 13.970 6.224 13.259 328 HE1 TRP 41 HE1 TRP 41 14.296 4.123 14.710 329 HE3 TRP 41 HE3 TRP 41 12.753 2.656 9.806 330 HZ2 TRP 41 HZ2 TRP 41 14.068 1.324 14.428 331 HZ3 TRP 41 HZ3 TRP 41 12.833 0.290 10.477 332 HH2 TRP 41 HH2 TRP 41 13.478 -0.360 12.740 333 H VAL 42 H VAL 42 13.928 5.403 7.338 334 HA VAL 42 HA VAL 42 15.003 2.729 7.525 335 HB VAL 42 HB VAL 42 13.929 4.232 5.133 336 HG11 VAL 42 HG11 VAL 42 15.092 1.535 5.471 337 HG12 VAL 42 HG12 VAL 42 13.636 1.653 4.481 338 HG13 VAL 42 HG13 VAL 42 15.068 2.593 4.061 339 HG21 VAL 42 HG21 VAL 42 12.545 2.023 6.616 340 HG22 VAL 42 HG22 VAL 42 12.383 3.706 7.118 341 HG23 VAL 42 HG23 VAL 42 11.862 3.212 5.507 342 H VAL 43 H VAL 43 15.976 5.830 6.217 343 HA VAL 43 HA VAL 43 18.233 4.762 4.778 344 HB VAL 43 HB VAL 43 17.578 7.628 5.478 345 HG11 VAL 43 HG11 VAL 43 19.923 7.390 4.986 346 HG12 VAL 43 HG12 VAL 43 19.563 6.452 3.535 347 HG13 VAL 43 HG13 VAL 43 19.125 8.159 3.615 348 HG21 VAL 43 HG21 VAL 43 15.859 6.512 4.099 349 HG22 VAL 43 HG22 VAL 43 16.689 7.808 3.236 350 HG23 VAL 43 HG23 VAL 43 17.100 6.125 2.906 351 H SER 44 H SER 44 17.677 6.412 7.846 352 HA SER 44 HA SER 44 20.337 6.898 8.556 353 HB2 SER 44 HB2 SER 44 17.778 6.595 10.067 354 HB3 SER 44 HB3 SER 44 19.290 6.590 10.975 355 HG SER 44 HG SER 44 19.128 8.678 10.829 356 H LYS 45 H LYS 45 18.541 3.966 8.438 357 HA LYS 45 HA LYS 45 20.469 2.545 10.113 358 HB2 LYS 45 HB2 LYS 45 17.885 2.220 10.145 359 HB3 LYS 45 HB3 LYS 45 18.157 1.251 8.703 360 HG2 LYS 45 HG2 LYS 45 19.314 -0.381 9.854 361 HG3 LYS 45 HG3 LYS 45 19.731 0.706 11.181 362 HD2 LYS 45 HD2 LYS 45 16.867 0.025 10.650 363 HD3 LYS 45 HD3 LYS 45 17.897 -1.114 11.521 364 HE2 LYS 45 HE2 LYS 45 17.434 1.767 12.288 365 HE3 LYS 45 HE3 LYS 45 16.652 0.375 13.035 366 HZ1 LYS 45 HZ1 LYS 45 18.399 0.784 14.451 367 HZ2 LYS 45 HZ2 LYS 45 19.458 1.241 13.214 368 HZ3 LYS 45 HZ3 LYS 45 19.071 -0.391 13.437 369 H ILE 46 H ILE 46 21.068 3.672 7.404 370 HA ILE 46 HA ILE 46 21.858 1.160 6.079 371 HB ILE 46 HB ILE 46 21.535 3.838 4.729 372 HG12 ILE 46 HG12 ILE 46 19.358 3.104 5.543 373 HG13 ILE 46 HG13 ILE 46 19.437 2.921 3.794 374 HG21 ILE 46 HG21 ILE 46 21.263 1.596 2.999 375 HG22 ILE 46 HG22 ILE 46 22.491 2.861 2.983 376 HG23 ILE 46 HG23 ILE 46 22.740 1.402 3.942 377 HD11 ILE 46 HD11 ILE 46 18.742 0.841 4.072 378 HD12 ILE 46 HD12 ILE 46 20.298 0.481 4.821 379 HD13 ILE 46 HD13 ILE 46 18.926 0.954 5.822 380 H LYS 47 H LYS 47 22.862 4.364 7.095 381 HA LYS 47 HA LYS 47 25.460 4.303 5.974 382 HB2 LYS 47 HB2 LYS 47 25.944 6.102 7.661 383 HB3 LYS 47 HB3 LYS 47 24.556 6.414 6.627 384 HG2 LYS 47 HG2 LYS 47 23.560 5.076 8.882 385 HG3 LYS 47 HG3 LYS 47 24.700 6.283 9.482 386 HD2 LYS 47 HD2 LYS 47 23.482 7.885 7.849 387 HD3 LYS 47 HD3 LYS 47 22.201 6.671 7.874 388 HE2 LYS 47 HE2 LYS 47 21.586 8.159 9.558 389 HE3 LYS 47 HE3 LYS 47 22.368 6.842 10.430 390 HZ1 LYS 47 HZ1 LYS 47 24.057 8.152 11.066 391 HZ2 LYS 47 HZ2 LYS 47 22.973 9.416 10.769 392 HZ3 LYS 47 HZ3 LYS 47 24.121 8.995 9.601 393 H GLN 48 H GLN 48 24.077 2.915 8.831 394 HA GLN 48 HA GLN 48 26.613 2.440 10.122 395 HB2 GLN 48 HB2 GLN 48 25.258 1.149 11.752 396 HB3 GLN 48 HB3 GLN 48 24.677 2.793 11.520 397 HG2 GLN 48 HG2 GLN 48 22.838 2.064 10.231 398 HG3 GLN 48 HG3 GLN 48 23.502 0.438 10.076 399 HE21 GLN 48 HE21 GLN 48 22.492 2.755 12.564 400 HE22 GLN 48 HE22 GLN 48 21.767 1.583 13.605 401 H ILE 49 H ILE 49 24.509 0.780 7.926 402 HA ILE 49 HA ILE 49 25.601 -1.834 8.372 403 HB ILE 49 HB ILE 49 24.086 -0.886 5.942 404 HG12 ILE 49 HG12 ILE 49 22.835 -0.362 8.001 405 HG13 ILE 49 HG13 ILE 49 22.052 -1.637 7.074 406 HG21 ILE 49 HG21 ILE 49 23.502 -3.556 6.685 407 HG22 ILE 49 HG22 ILE 49 24.318 -2.974 5.235 408 HG23 ILE 49 HG23 ILE 49 25.256 -3.370 6.675 409 HD11 ILE 49 HD11 ILE 49 22.036 -2.892 8.889 410 HD12 ILE 49 HD12 ILE 49 23.800 -2.900 8.880 411 HD13 ILE 49 HD13 ILE 49 22.928 -1.660 9.781 412 H LEU 50 H LEU 50 25.654 0.150 5.409 413 HA LEU 50 HA LEU 50 27.977 -1.205 4.425 414 HB2 LEU 50 HB2 LEU 50 26.904 1.386 3.359 415 HB3 LEU 50 HB3 LEU 50 27.758 0.109 2.494 416 HG LEU 50 HG LEU 50 24.978 -0.207 3.615 417 HD11 LEU 50 HD11 LEU 50 25.914 0.739 0.924 418 HD12 LEU 50 HD12 LEU 50 24.730 1.476 2.004 419 HD13 LEU 50 HD13 LEU 50 24.339 -0.020 1.157 420 HD21 LEU 50 HD21 LEU 50 26.846 -1.893 2.042 421 HD22 LEU 50 HD22 LEU 50 25.131 -1.973 1.640 422 HD23 LEU 50 HD23 LEU 50 25.672 -2.348 3.276 423 H GLY 51 H GLY 51 27.415 2.247 5.164 424 HA2 GLY 51 HA2 GLY 51 29.060 3.182 6.836 425 HA3 GLY 51 HA3 GLY 51 30.289 2.446 5.818 426 H ILE 52 H ILE 52 27.406 4.071 4.631 427 HA ILE 52 HA ILE 52 28.844 5.662 2.808 428 HB ILE 52 HB ILE 52 26.453 5.055 2.540 429 HG12 ILE 52 HG12 ILE 52 25.729 7.494 1.922 430 HG13 ILE 52 HG13 ILE 52 27.378 7.905 2.381 431 HG21 ILE 52 HG21 ILE 52 25.451 7.278 4.139 432 HG22 ILE 52 HG22 ILE 52 24.854 5.626 3.993 433 HG23 ILE 52 HG23 ILE 52 26.175 5.991 5.102 434 HD11 ILE 52 HD11 ILE 52 27.303 5.631 0.603 435 HD12 ILE 52 HD12 ILE 52 26.511 7.044 -0.095 436 HD13 ILE 52 HD13 ILE 52 28.181 7.153 0.460 437 H LYS 53 H LYS 53 29.685 7.664 2.922 438 HA LYS 53 HA LYS 53 29.647 8.986 5.536 439 HB2 LYS 53 HB2 LYS 53 31.794 8.391 4.190 440 HB3 LYS 53 HB3 LYS 53 31.389 9.811 3.235 441 HG2 LYS 53 HG2 LYS 53 32.961 10.446 4.915 442 HG3 LYS 53 HG3 LYS 53 31.395 11.151 5.324 443 HD2 LYS 53 HD2 LYS 53 31.114 9.805 7.151 444 HD3 LYS 53 HD3 LYS 53 32.060 8.485 6.459 445 HE2 LYS 53 HE2 LYS 53 34.095 9.945 6.767 446 HE3 LYS 53 HE3 LYS 53 33.072 11.034 7.702 447 HZ1 LYS 53 HZ1 LYS 53 32.528 8.774 8.932 448 HZ2 LYS 53 HZ2 LYS 53 33.843 9.741 9.373 449 HZ3 LYS 53 HZ3 LYS 53 34.082 8.385 8.390 Start of MODEL 5 1 H1 MET 1 H MET 1 0.190 -1.919 -0.836 2 HA MET 1 HA MET 1 1.830 -0.046 -0.086 3 HB2 MET 1 HB2 MET 1 2.596 -1.399 1.870 4 HB3 MET 1 HB3 MET 1 0.862 -1.472 1.585 5 HG2 MET 1 HG2 MET 1 1.020 -3.652 0.663 6 HG3 MET 1 HG3 MET 1 2.779 -3.569 0.612 7 HE1 MET 1 HE1 MET 1 1.135 -5.781 1.470 8 HE2 MET 1 HE2 MET 1 2.514 -6.294 2.443 9 HE3 MET 1 HE3 MET 1 0.928 -6.106 3.192 10 H ALA 2 H ALA 2 2.983 -0.700 -2.481 11 HA ALA 2 HA ALA 2 5.472 -2.082 -2.109 12 HB1 ALA 2 HB1 ALA 2 5.929 -1.007 -4.423 13 HB2 ALA 2 HB2 ALA 2 4.694 -2.259 -4.281 14 HB3 ALA 2 HB3 ALA 2 4.224 -0.561 -4.361 15 H GLY 3 H GLY 3 5.872 -0.579 -0.152 16 HA2 GLY 3 HA2 GLY 3 6.808 2.076 -0.755 17 HA3 GLY 3 HA3 GLY 3 6.928 1.252 0.793 18 H PHE 4 H PHE 4 8.199 -1.061 -0.792 19 HA PHE 4 HA PHE 4 10.837 -0.612 -0.121 20 HB2 PHE 4 HB2 PHE 4 10.104 -2.842 -0.591 21 HB3 PHE 4 HB3 PHE 4 9.651 -2.410 -2.237 22 HD1 PHE 4 HD1 PHE 4 12.459 -3.080 0.030 23 HD2 PHE 4 HD2 PHE 4 11.276 -2.302 -3.984 24 HE1 PHE 4 HE1 PHE 4 14.688 -3.765 -0.756 25 HE2 PHE 4 HE2 PHE 4 13.502 -2.986 -4.776 26 HZ PHE 4 HZ PHE 4 15.211 -3.720 -3.162 27 H LEU 5 H LEU 5 9.511 -0.493 -3.433 28 HA LEU 5 HA LEU 5 11.792 0.549 -4.655 29 HB2 LEU 5 HB2 LEU 5 8.883 0.560 -5.342 30 HB3 LEU 5 HB3 LEU 5 10.023 1.471 -6.331 31 HG LEU 5 HG LEU 5 10.745 -1.343 -5.840 32 HD11 LEU 5 HD11 LEU 5 9.169 -2.059 -7.682 33 HD12 LEU 5 HD12 LEU 5 8.286 -0.562 -7.382 34 HD13 LEU 5 HD13 LEU 5 8.440 -1.766 -6.103 35 HD21 LEU 5 HD21 LEU 5 11.837 -1.107 -7.796 36 HD22 LEU 5 HD22 LEU 5 11.638 0.615 -7.470 37 HD23 LEU 5 HD23 LEU 5 10.516 -0.215 -8.550 38 H LYS 6 H LYS 6 9.414 2.073 -2.683 39 HA LYS 6 HA LYS 6 9.944 4.753 -3.587 40 HB2 LYS 6 HB2 LYS 6 8.616 3.941 -1.002 41 HB3 LYS 6 HB3 LYS 6 8.441 5.460 -1.871 42 HG2 LYS 6 HG2 LYS 6 7.526 2.787 -2.911 43 HG3 LYS 6 HG3 LYS 6 6.490 3.955 -2.086 44 HD2 LYS 6 HD2 LYS 6 8.075 4.693 -4.530 45 HD3 LYS 6 HD3 LYS 6 6.478 3.952 -4.648 46 HE2 LYS 6 HE2 LYS 6 7.042 6.449 -3.062 47 HE3 LYS 6 HE3 LYS 6 6.517 6.465 -4.745 48 HZ1 LYS 6 HZ1 LYS 6 4.782 6.648 -2.850 49 HZ2 LYS 6 HZ2 LYS 6 4.955 4.968 -2.753 50 HZ3 LYS 6 HZ3 LYS 6 4.443 5.683 -4.198 51 H VAL 7 H VAL 7 10.987 2.688 -0.930 52 HA VAL 7 HA VAL 7 12.552 4.805 0.282 53 HB VAL 7 HB VAL 7 13.282 3.049 1.874 54 HG11 VAL 7 HG11 VAL 7 10.369 3.543 1.376 55 HG12 VAL 7 HG12 VAL 7 10.902 2.550 2.735 56 HG13 VAL 7 HG13 VAL 7 11.421 4.232 2.613 57 HG21 VAL 7 HG21 VAL 7 12.591 0.831 1.748 58 HG22 VAL 7 HG22 VAL 7 11.309 1.192 0.592 59 HG23 VAL 7 HG23 VAL 7 12.995 1.220 0.076 60 H VAL 8 H VAL 8 12.974 2.438 -2.128 61 HA VAL 8 HA VAL 8 15.867 2.303 -1.805 62 HB VAL 8 HB VAL 8 14.066 1.018 -3.862 63 HG11 VAL 8 HG11 VAL 8 16.038 0.999 -4.996 64 HG12 VAL 8 HG12 VAL 8 17.012 1.100 -3.528 65 HG13 VAL 8 HG13 VAL 8 16.285 -0.436 -4.002 66 HG21 VAL 8 HG21 VAL 8 13.675 -0.564 -2.356 67 HG22 VAL 8 HG22 VAL 8 15.407 -0.835 -2.163 68 HG23 VAL 8 HG23 VAL 8 14.584 0.359 -1.160 69 H GLN 9 H GLN 9 13.450 3.722 -3.920 70 HA GLN 9 HA GLN 9 15.069 4.518 -6.040 71 HB2 GLN 9 HB2 GLN 9 13.363 6.239 -6.477 72 HB3 GLN 9 HB3 GLN 9 12.643 4.671 -6.135 73 HG2 GLN 9 HG2 GLN 9 11.772 5.347 -4.134 74 HG3 GLN 9 HG3 GLN 9 13.000 6.589 -3.894 75 HE21 GLN 9 HE21 GLN 9 12.811 8.559 -5.045 76 HE22 GLN 9 HE22 GLN 9 11.279 9.098 -5.633 77 H LEU 10 H LEU 10 14.851 5.737 -2.817 78 HA LEU 10 HA LEU 10 15.952 8.318 -3.320 79 HB2 LEU 10 HB2 LEU 10 15.365 6.658 -0.934 80 HB3 LEU 10 HB3 LEU 10 16.545 7.954 -0.747 81 HG LEU 10 HG LEU 10 14.338 8.682 -0.042 82 HD11 LEU 10 HD11 LEU 10 14.538 10.747 -0.932 83 HD12 LEU 10 HD12 LEU 10 14.602 10.149 -2.589 84 HD13 LEU 10 HD13 LEU 10 16.040 10.080 -1.571 85 HD21 LEU 10 HD21 LEU 10 13.200 8.669 -2.755 86 HD22 LEU 10 HD22 LEU 10 12.431 8.368 -1.196 87 HD23 LEU 10 HD23 LEU 10 13.350 7.087 -1.989 88 H LEU 11 H LEU 11 17.292 5.171 -2.505 89 HA LEU 11 HA LEU 11 19.894 5.931 -1.852 90 HB2 LEU 11 HB2 LEU 11 18.694 3.450 -3.012 91 HB3 LEU 11 HB3 LEU 11 20.443 3.594 -2.852 92 HG LEU 11 HG LEU 11 19.527 2.356 -0.987 93 HD11 LEU 11 HD11 LEU 11 20.132 4.948 0.307 94 HD12 LEU 11 HD12 LEU 11 21.343 4.293 -0.795 95 HD13 LEU 11 HD13 LEU 11 20.812 3.347 0.595 96 HD21 LEU 11 HD21 LEU 11 17.284 3.694 -1.201 97 HD22 LEU 11 HD22 LEU 11 18.043 4.752 -0.012 98 HD23 LEU 11 HD23 LEU 11 17.797 3.044 0.357 99 H ALA 12 H ALA 12 18.276 5.880 -4.893 100 HA ALA 12 HA ALA 12 20.320 5.552 -6.716 101 HB1 ALA 12 HB1 ALA 12 18.864 6.318 -8.271 102 HB2 ALA 12 HB2 ALA 12 17.718 6.131 -6.942 103 HB3 ALA 12 HB3 ALA 12 18.397 7.718 -7.305 104 H LYS 13 H LYS 13 19.487 8.404 -4.822 105 HA LYS 13 HA LYS 13 21.279 10.176 -6.135 106 HB2 LYS 13 HB2 LYS 13 20.771 11.730 -4.416 107 HB3 LYS 13 HB3 LYS 13 19.292 10.823 -4.704 108 HG2 LYS 13 HG2 LYS 13 19.279 10.723 -2.454 109 HG3 LYS 13 HG3 LYS 13 20.329 9.333 -2.742 110 HD2 LYS 13 HD2 LYS 13 21.611 10.452 -1.223 111 HD3 LYS 13 HD3 LYS 13 22.199 11.216 -2.702 112 HE2 LYS 13 HE2 LYS 13 19.838 12.408 -1.342 113 HE3 LYS 13 HE3 LYS 13 21.424 12.635 -0.606 114 HZ1 LYS 13 HZ1 LYS 13 21.336 14.427 -1.989 115 HZ2 LYS 13 HZ2 LYS 13 20.399 13.644 -3.159 116 HZ3 LYS 13 HZ3 LYS 13 22.053 13.310 -3.038 117 H TYR 14 H TYR 14 21.586 7.927 -3.477 118 HA TYR 14 HA TYR 14 24.113 8.916 -2.567 119 HB2 TYR 14 HB2 TYR 14 22.444 6.497 -1.993 120 HB3 TYR 14 HB3 TYR 14 24.125 6.528 -1.471 121 HD1 TYR 14 HD2 TYR 14 24.878 8.391 0.066 122 HD2 TYR 14 HD1 TYR 14 20.777 7.630 -0.774 123 HE1 TYR 14 HE2 TYR 14 24.238 9.664 2.071 124 HE2 TYR 14 HE1 TYR 14 20.125 8.902 1.228 125 HH TYR 14 HH TYR 14 20.824 10.092 2.962 126 H GLY 15 H GLY 15 23.050 6.635 -4.968 127 HA2 GLY 15 HA2 GLY 15 24.822 6.385 -6.759 128 HA3 GLY 15 HA3 GLY 15 25.857 5.851 -5.443 129 H SER 16 H SER 16 25.911 4.046 -7.187 130 HA SER 16 HA SER 16 23.674 2.188 -6.886 131 HB2 SER 16 HB2 SER 16 24.759 2.746 -9.145 132 HB3 SER 16 HB3 SER 16 26.115 1.757 -8.604 133 HG SER 16 HG SER 16 23.885 0.933 -9.718 134 H LYS 17 H LYS 17 25.641 2.792 -4.739 135 HA LYS 17 HA LYS 17 26.801 0.106 -4.397 136 HB2 LYS 17 HB2 LYS 17 28.489 1.856 -4.401 137 HB3 LYS 17 HB3 LYS 17 27.614 2.740 -3.157 138 HG2 LYS 17 HG2 LYS 17 28.119 1.127 -1.514 139 HG3 LYS 17 HG3 LYS 17 28.677 -0.034 -2.720 140 HD2 LYS 17 HD2 LYS 17 30.031 2.620 -2.469 141 HD3 LYS 17 HD3 LYS 17 30.409 1.329 -1.326 142 HE2 LYS 17 HE2 LYS 17 30.503 0.941 -4.308 143 HE3 LYS 17 HE3 LYS 17 31.891 1.506 -3.380 144 HZ1 LYS 17 HZ1 LYS 17 31.000 -0.699 -2.027 145 HZ2 LYS 17 HZ2 LYS 17 32.350 -0.625 -3.043 146 HZ3 LYS 17 HZ3 LYS 17 30.858 -1.137 -3.655 147 H ALA 18 H ALA 18 24.860 2.622 -2.907 148 HA ALA 18 HA ALA 18 24.449 1.036 -0.502 149 HB1 ALA 18 HB1 ALA 18 23.487 3.768 -1.324 150 HB2 ALA 18 HB2 ALA 18 23.022 2.982 0.186 151 HB3 ALA 18 HB3 ALA 18 24.715 3.369 -0.122 152 H VAL 19 H VAL 19 22.885 1.719 -3.508 153 HA VAL 19 HA VAL 19 20.253 0.924 -2.670 154 HB VAL 19 HB VAL 19 20.662 2.490 -4.569 155 HG11 VAL 19 HG11 VAL 19 22.547 0.821 -5.414 156 HG12 VAL 19 HG12 VAL 19 21.204 0.199 -6.375 157 HG13 VAL 19 HG13 VAL 19 21.681 1.892 -6.515 158 HG21 VAL 19 HG21 VAL 19 18.568 1.939 -5.061 159 HG22 VAL 19 HG22 VAL 19 19.173 0.651 -6.102 160 HG23 VAL 19 HG23 VAL 19 18.808 0.319 -4.409 161 H GLN 20 H GLN 20 23.050 -0.637 -4.059 162 HA GLN 20 HA GLN 20 21.838 -2.971 -5.029 163 HB2 GLN 20 HB2 GLN 20 24.241 -2.147 -5.365 164 HB3 GLN 20 HB3 GLN 20 24.589 -2.889 -3.809 165 HG2 GLN 20 HG2 GLN 20 25.176 -4.341 -5.687 166 HG3 GLN 20 HG3 GLN 20 23.941 -5.054 -4.650 167 HE21 GLN 20 HE21 GLN 20 22.444 -6.077 -5.747 168 HE22 GLN 20 HE22 GLN 20 21.827 -5.635 -7.298 169 H TRP 21 H TRP 21 22.833 -2.026 -1.808 170 HA TRP 21 HA TRP 21 22.833 -4.492 -0.528 171 HB2 TRP 21 HB2 TRP 21 23.522 -2.273 0.454 172 HB3 TRP 21 HB3 TRP 21 21.811 -1.918 0.680 173 HD1 TRP 21 HD1 TRP 21 24.227 -4.799 1.687 174 HE1 TRP 21 HE1 TRP 21 23.630 -5.519 4.085 175 HE3 TRP 21 HE3 TRP 21 20.285 -1.653 2.521 176 HZ2 TRP 21 HZ2 TRP 21 21.738 -4.843 6.067 177 HZ3 TRP 21 HZ3 TRP 21 19.136 -1.753 4.694 178 HH2 TRP 21 HH2 TRP 21 19.848 -3.316 6.429 179 H ALA 22 H ALA 22 20.128 -2.161 -0.570 180 HA ALA 22 HA ALA 22 18.200 -3.767 0.574 181 HB1 ALA 22 HB1 ALA 22 17.364 -1.684 0.361 182 HB2 ALA 22 HB2 ALA 22 18.172 -1.400 -1.182 183 HB3 ALA 22 HB3 ALA 22 16.681 -2.340 -1.127 184 H TRP 23 H TRP 23 18.860 -3.367 -2.906 185 HA TRP 23 HA TRP 23 16.958 -5.183 -3.839 186 HB2 TRP 23 HB2 TRP 23 19.517 -4.091 -4.947 187 HB3 TRP 23 HB3 TRP 23 18.701 -5.402 -5.796 188 HD1 TRP 23 HD1 TRP 23 18.521 -1.686 -5.183 189 HE1 TRP 23 HE1 TRP 23 16.580 -0.687 -6.547 190 HE3 TRP 23 HE3 TRP 23 16.270 -6.022 -6.691 191 HZ2 TRP 23 HZ2 TRP 23 14.385 -1.613 -8.060 192 HZ3 TRP 23 HZ3 TRP 23 14.253 -5.878 -8.094 193 HH2 TRP 23 HH2 TRP 23 13.332 -3.718 -8.763 194 H ALA 24 H ALA 24 20.154 -5.693 -2.526 195 HA ALA 24 HA ALA 24 20.464 -8.381 -3.398 196 HB1 ALA 24 HB1 ALA 24 22.520 -7.834 -2.745 197 HB2 ALA 24 HB2 ALA 24 21.929 -6.495 -1.760 198 HB3 ALA 24 HB3 ALA 24 21.978 -8.126 -1.092 199 H ASN 25 H ASN 25 20.214 -7.352 -0.005 200 HA ASN 25 HA ASN 25 18.999 -9.861 0.713 201 HB2 ASN 25 HB2 ASN 25 18.945 -8.813 3.019 202 HB3 ASN 25 HB3 ASN 25 20.542 -8.962 2.292 203 HD21 ASN 25 HD21 ASN 25 21.636 -7.126 1.638 204 HD22 ASN 25 HD22 ASN 25 21.155 -5.540 2.125 205 H LYS 26 H LYS 26 16.939 -10.132 0.092 206 HA LYS 26 HA LYS 26 15.044 -7.922 0.362 207 HB2 LYS 26 HB2 LYS 26 14.872 -10.614 -0.989 208 HB3 LYS 26 HB3 LYS 26 13.486 -9.546 -0.816 209 HG2 LYS 26 HG2 LYS 26 16.003 -8.558 -2.087 210 HG3 LYS 26 HG3 LYS 26 14.844 -9.516 -3.011 211 HD2 LYS 26 HD2 LYS 26 13.961 -7.119 -1.441 212 HD3 LYS 26 HD3 LYS 26 14.644 -6.943 -3.059 213 HE2 LYS 26 HE2 LYS 26 12.357 -8.801 -2.460 214 HE3 LYS 26 HE3 LYS 26 12.112 -7.108 -2.887 215 HZ1 LYS 26 HZ1 LYS 26 13.707 -8.917 -4.595 216 HZ2 LYS 26 HZ2 LYS 26 12.989 -7.442 -5.006 217 HZ3 LYS 26 HZ3 LYS 26 12.026 -8.809 -4.751 218 H GLY 27 H GLY 27 14.763 -7.854 2.601 219 HA2 GLY 27 HA2 GLY 27 12.666 -9.139 3.741 220 HA3 GLY 27 HA3 GLY 27 14.008 -10.228 4.060 221 H LYS 28 H LYS 28 15.841 -7.833 4.190 222 HA LYS 28 HA LYS 28 15.557 -7.398 7.019 223 HB2 LYS 28 HB2 LYS 28 17.531 -6.165 5.089 224 HB3 LYS 28 HB3 LYS 28 17.656 -6.178 6.843 225 HG2 LYS 28 HG2 LYS 28 17.515 -8.793 6.469 226 HG3 LYS 28 HG3 LYS 28 18.154 -8.348 4.885 227 HD2 LYS 28 HD2 LYS 28 19.435 -7.168 7.297 228 HD3 LYS 28 HD3 LYS 28 19.745 -8.868 6.939 229 HE2 LYS 28 HE2 LYS 28 20.475 -8.237 4.677 230 HE3 LYS 28 HE3 LYS 28 20.199 -6.541 5.072 231 HZ1 LYS 28 HZ1 LYS 28 21.805 -7.121 7.037 232 HZ2 LYS 28 HZ2 LYS 28 22.413 -6.719 5.511 233 HZ3 LYS 28 HZ3 LYS 28 22.323 -8.340 5.984 234 H ILE 29 H ILE 29 15.502 -5.321 4.130 235 HA ILE 29 HA ILE 29 14.631 -3.041 5.687 236 HB ILE 29 HB ILE 29 14.890 -3.306 2.690 237 HG12 ILE 29 HG12 ILE 29 16.965 -1.751 3.411 238 HG13 ILE 29 HG13 ILE 29 16.850 -2.756 4.851 239 HG21 ILE 29 HG21 ILE 29 14.011 -1.274 2.569 240 HG22 ILE 29 HG22 ILE 29 13.753 -1.285 4.313 241 HG23 ILE 29 HG23 ILE 29 15.261 -0.656 3.649 242 HD11 ILE 29 HD11 ILE 29 18.200 -3.363 2.533 243 HD12 ILE 29 HD12 ILE 29 17.768 -4.491 3.819 244 HD13 ILE 29 HD13 ILE 29 16.719 -4.314 2.412 245 H LEU 30 H LEU 30 13.242 -5.440 3.555 246 HA LEU 30 HA LEU 30 10.823 -4.234 2.914 247 HB2 LEU 30 HB2 LEU 30 11.745 -7.046 3.215 248 HB3 LEU 30 HB3 LEU 30 10.014 -6.747 3.066 249 HG LEU 30 HG LEU 30 11.159 -7.338 0.930 250 HD11 LEU 30 HD11 LEU 30 9.459 -6.277 -0.012 251 HD12 LEU 30 HD12 LEU 30 10.291 -4.732 0.163 252 HD13 LEU 30 HD13 LEU 30 9.253 -5.326 1.459 253 HD21 LEU 30 HD21 LEU 30 13.273 -6.191 1.329 254 HD22 LEU 30 HD22 LEU 30 12.447 -4.633 1.291 255 HD23 LEU 30 HD23 LEU 30 12.522 -5.627 -0.164 256 H ASP 31 H ASP 31 11.925 -5.559 5.915 257 HA ASP 31 HA ASP 31 9.306 -5.791 7.090 258 HB2 ASP 31 HB2 ASP 31 12.116 -6.137 8.050 259 HB3 ASP 31 HB3 ASP 31 10.836 -5.915 9.240 260 H TRP 32 H TRP 32 11.980 -3.484 7.213 261 HA TRP 32 HA TRP 32 11.115 -1.816 9.236 262 HB2 TRP 32 HB2 TRP 32 12.609 -1.232 6.684 263 HB3 TRP 32 HB3 TRP 32 12.280 0.021 7.878 264 HD1 TRP 32 HD1 TRP 32 12.796 -2.153 10.370 265 HE1 TRP 32 HE1 TRP 32 15.251 -2.610 10.993 266 HE3 TRP 32 HE3 TRP 32 15.036 -0.567 6.057 267 HZ2 TRP 32 HZ2 TRP 32 17.801 -2.334 9.813 268 HZ3 TRP 32 HZ3 TRP 32 17.487 -0.697 5.885 269 HH2 TRP 32 HH2 TRP 32 18.839 -1.561 7.725 270 H LEU 33 H LEU 33 10.072 -1.940 5.871 271 HA LEU 33 HA LEU 33 8.618 0.397 5.682 272 HB2 LEU 33 HB2 LEU 33 7.912 -2.303 4.542 273 HB3 LEU 33 HB3 LEU 33 7.241 -0.762 4.009 274 HG LEU 33 HG LEU 33 10.182 -1.377 3.854 275 HD11 LEU 33 HD11 LEU 33 8.015 -1.958 1.849 276 HD12 LEU 33 HD12 LEU 33 9.165 -3.090 2.559 277 HD13 LEU 33 HD13 LEU 33 9.726 -1.852 1.435 278 HD21 LEU 33 HD21 LEU 33 8.828 0.972 3.573 279 HD22 LEU 33 HD22 LEU 33 8.888 0.390 1.909 280 HD23 LEU 33 HD23 LEU 33 10.381 0.604 2.824 281 H ASN 34 H ASN 34 7.826 -2.562 7.358 282 HA ASN 34 HA ASN 34 5.162 -1.523 8.013 283 HB2 ASN 34 HB2 ASN 34 6.240 -4.263 8.680 284 HB3 ASN 34 HB3 ASN 34 4.559 -3.740 8.646 285 HD21 ASN 34 HD21 ASN 34 7.261 -4.814 6.800 286 HD22 ASN 34 HD22 ASN 34 6.435 -4.985 5.291 287 H ALA 35 H ALA 35 8.276 -2.214 9.364 288 HA ALA 35 HA ALA 35 7.268 -1.629 12.067 289 HB1 ALA 35 HB1 ALA 35 10.008 -2.699 11.512 290 HB2 ALA 35 HB2 ALA 35 9.023 -2.848 12.968 291 HB3 ALA 35 HB3 ALA 35 8.608 -3.772 11.525 292 H GLY 36 H GLY 36 7.217 0.650 11.052 293 HA2 GLY 36 HA2 GLY 36 9.098 2.259 12.283 294 HA3 GLY 36 HA3 GLY 36 9.688 2.011 10.646 295 H GLN 37 H GLN 37 7.333 2.008 9.210 296 HA GLN 37 HA GLN 37 5.958 3.460 8.122 297 HB2 GLN 37 HB2 GLN 37 5.427 4.078 11.009 298 HB3 GLN 37 HB3 GLN 37 4.628 5.002 9.744 299 HG2 GLN 37 HG2 GLN 37 3.538 3.077 8.902 300 HG3 GLN 37 HG3 GLN 37 4.523 2.005 9.896 301 HE21 GLN 37 HE21 GLN 37 2.112 1.394 10.245 302 HE22 GLN 37 HE22 GLN 37 1.383 2.093 11.647 303 H ALA 38 H ALA 38 8.723 4.236 8.452 304 HA ALA 38 HA ALA 38 8.400 7.100 7.962 305 HB1 ALA 38 HB1 ALA 38 10.767 7.143 9.278 306 HB2 ALA 38 HB2 ALA 38 9.211 7.532 10.014 307 HB3 ALA 38 HB3 ALA 38 9.894 5.916 10.197 308 H ILE 39 H ILE 39 10.487 8.037 7.052 309 HA ILE 39 HA ILE 39 11.713 6.049 5.255 310 HB ILE 39 HB ILE 39 11.363 9.004 4.740 311 HG12 ILE 39 HG12 ILE 39 9.817 7.861 2.882 312 HG13 ILE 39 HG13 ILE 39 9.669 6.631 4.133 313 HG21 ILE 39 HG21 ILE 39 12.752 6.813 3.340 314 HG22 ILE 39 HG22 ILE 39 11.786 7.887 2.329 315 HG23 ILE 39 HG23 ILE 39 13.072 8.547 3.339 316 HD11 ILE 39 HD11 ILE 39 9.231 9.484 4.853 317 HD12 ILE 39 HD12 ILE 39 7.970 8.601 3.990 318 HD13 ILE 39 HD13 ILE 39 8.539 8.021 5.555 319 H ASP 40 H ASP 40 12.437 9.303 6.535 320 HA ASP 40 HA ASP 40 15.197 9.182 6.240 321 HB2 ASP 40 HB2 ASP 40 13.490 10.689 8.223 322 HB3 ASP 40 HB3 ASP 40 15.232 10.916 8.092 323 H TRP 41 H TRP 41 13.145 7.748 8.639 324 HA TRP 41 HA TRP 41 15.269 7.220 10.512 325 HB2 TRP 41 HB2 TRP 41 12.974 7.523 11.308 326 HB3 TRP 41 HB3 TRP 41 12.449 6.132 10.364 327 HD1 TRP 41 HD1 TRP 41 14.294 7.052 13.573 328 HE1 TRP 41 HE1 TRP 41 14.548 4.938 15.019 329 HE3 TRP 41 HE3 TRP 41 12.641 3.569 10.216 330 HZ2 TRP 41 HZ2 TRP 41 14.107 2.161 14.770 331 HZ3 TRP 41 HZ3 TRP 41 12.588 1.205 10.898 332 HH2 TRP 41 HH2 TRP 41 13.307 0.518 13.128 333 H VAL 42 H VAL 42 13.834 5.627 7.789 334 HA VAL 42 HA VAL 42 14.960 3.038 8.438 335 HB VAL 42 HB VAL 42 13.579 3.985 5.923 336 HG11 VAL 42 HG11 VAL 42 15.051 1.582 6.521 337 HG12 VAL 42 HG12 VAL 42 13.363 1.213 6.164 338 HG13 VAL 42 HG13 VAL 42 14.336 2.110 4.998 339 HG21 VAL 42 HG21 VAL 42 12.545 2.361 8.245 340 HG22 VAL 42 HG22 VAL 42 12.115 4.031 7.874 341 HG23 VAL 42 HG23 VAL 42 11.652 2.735 6.771 342 H VAL 43 H VAL 43 15.597 5.705 6.217 343 HA VAL 43 HA VAL 43 17.696 4.397 4.803 344 HB VAL 43 HB VAL 43 17.178 7.362 5.075 345 HG11 VAL 43 HG11 VAL 43 19.149 7.501 4.025 346 HG12 VAL 43 HG12 VAL 43 19.161 5.783 3.623 347 HG13 VAL 43 HG13 VAL 43 18.277 6.922 2.606 348 HG21 VAL 43 HG21 VAL 43 15.233 6.105 4.217 349 HG22 VAL 43 HG22 VAL 43 15.928 7.188 3.010 350 HG23 VAL 43 HG23 VAL 43 16.248 5.455 2.929 351 H SER 44 H SER 44 17.664 6.849 7.382 352 HA SER 44 HA SER 44 20.426 7.143 7.649 353 HB2 SER 44 HB2 SER 44 18.198 7.462 9.666 354 HB3 SER 44 HB3 SER 44 19.873 7.900 10.001 355 HG SER 44 HG SER 44 18.299 9.556 9.109 356 H LYS 45 H LYS 45 18.302 4.623 8.715 357 HA LYS 45 HA LYS 45 20.042 3.513 10.689 358 HB2 LYS 45 HB2 LYS 45 17.444 3.179 10.212 359 HB3 LYS 45 HB3 LYS 45 18.041 1.812 9.280 360 HG2 LYS 45 HG2 LYS 45 19.035 2.156 12.058 361 HG3 LYS 45 HG3 LYS 45 17.384 1.579 11.819 362 HD2 LYS 45 HD2 LYS 45 18.573 -0.044 10.108 363 HD3 LYS 45 HD3 LYS 45 19.974 0.283 11.130 364 HE2 LYS 45 HE2 LYS 45 18.815 -1.707 11.896 365 HE3 LYS 45 HE3 LYS 45 18.688 -0.424 13.098 366 HZ1 LYS 45 HZ1 LYS 45 16.485 -0.394 12.913 367 HZ2 LYS 45 HZ2 LYS 45 16.618 -1.861 12.082 368 HZ3 LYS 45 HZ3 LYS 45 16.523 -0.407 11.222 369 H ILE 46 H ILE 46 20.164 3.598 7.339 370 HA ILE 46 HA ILE 46 21.463 1.021 7.013 371 HB ILE 46 HB ILE 46 21.189 3.210 4.956 372 HG12 ILE 46 HG12 ILE 46 19.324 0.896 5.526 373 HG13 ILE 46 HG13 ILE 46 18.977 2.593 5.836 374 HG21 ILE 46 HG21 ILE 46 21.112 0.557 3.914 375 HG22 ILE 46 HG22 ILE 46 22.287 1.834 3.608 376 HG23 ILE 46 HG23 ILE 46 22.524 0.724 4.958 377 HD11 ILE 46 HD11 ILE 46 17.868 2.002 3.836 378 HD12 ILE 46 HD12 ILE 46 19.255 2.990 3.376 379 HD13 ILE 46 HD13 ILE 46 19.315 1.239 3.178 380 H LYS 47 H LYS 47 22.308 4.387 7.334 381 HA LYS 47 HA LYS 47 24.889 4.407 6.313 382 HB2 LYS 47 HB2 LYS 47 23.593 5.930 8.560 383 HB3 LYS 47 HB3 LYS 47 25.276 6.200 8.127 384 HG2 LYS 47 HG2 LYS 47 24.746 7.361 6.289 385 HG3 LYS 47 HG3 LYS 47 23.420 6.277 5.863 386 HD2 LYS 47 HD2 LYS 47 22.151 8.064 6.413 387 HD3 LYS 47 HD3 LYS 47 22.383 7.454 8.054 388 HE2 LYS 47 HE2 LYS 47 24.119 9.528 6.718 389 HE3 LYS 47 HE3 LYS 47 22.807 9.885 7.840 390 HZ1 LYS 47 HZ1 LYS 47 24.731 9.906 9.133 391 HZ2 LYS 47 HZ2 LYS 47 25.373 8.527 8.395 392 HZ3 LYS 47 HZ3 LYS 47 24.054 8.387 9.445 393 H GLN 48 H GLN 48 23.675 3.114 9.320 394 HA GLN 48 HA GLN 48 26.302 2.722 10.451 395 HB2 GLN 48 HB2 GLN 48 25.051 1.492 12.232 396 HB3 GLN 48 HB3 GLN 48 24.511 3.147 11.987 397 HG2 GLN 48 HG2 GLN 48 22.584 2.400 10.771 398 HG3 GLN 48 HG3 GLN 48 23.156 0.733 10.813 399 HE21 GLN 48 HE21 GLN 48 23.069 3.194 13.350 400 HE22 GLN 48 HE22 GLN 48 22.060 2.298 14.429 401 H ILE 49 H ILE 49 24.068 0.940 8.498 402 HA ILE 49 HA ILE 49 25.083 -1.663 9.035 403 HB ILE 49 HB ILE 49 23.593 -0.658 6.606 404 HG12 ILE 49 HG12 ILE 49 22.304 -0.342 8.648 405 HG13 ILE 49 HG13 ILE 49 21.620 -1.667 7.712 406 HG21 ILE 49 HG21 ILE 49 23.131 -3.406 7.132 407 HG22 ILE 49 HG22 ILE 49 23.888 -2.669 5.721 408 HG23 ILE 49 HG23 ILE 49 24.874 -3.142 7.104 409 HD11 ILE 49 HD11 ILE 49 21.606 -2.680 9.717 410 HD12 ILE 49 HD12 ILE 49 23.283 -3.041 9.305 411 HD13 ILE 49 HD13 ILE 49 22.907 -1.676 10.356 412 H LEU 50 H LEU 50 25.268 0.077 5.933 413 HA LEU 50 HA LEU 50 27.622 -1.372 5.171 414 HB2 LEU 50 HB2 LEU 50 26.563 1.073 3.793 415 HB3 LEU 50 HB3 LEU 50 27.460 -0.276 3.100 416 HG LEU 50 HG LEU 50 24.635 -0.474 4.138 417 HD11 LEU 50 HD11 LEU 50 25.696 0.017 1.369 418 HD12 LEU 50 HD12 LEU 50 24.530 0.977 2.277 419 HD13 LEU 50 HD13 LEU 50 24.082 -0.621 1.681 420 HD21 LEU 50 HD21 LEU 50 26.605 -2.400 3.301 421 HD22 LEU 50 HD22 LEU 50 25.192 -2.451 2.247 422 HD23 LEU 50 HD23 LEU 50 25.001 -2.660 3.988 423 H GLY 51 H GLY 51 27.005 2.129 5.547 424 HA2 GLY 51 HA2 GLY 51 28.612 3.236 7.153 425 HA3 GLY 51 HA3 GLY 51 29.865 2.436 6.217 426 H ILE 52 H ILE 52 26.967 3.903 4.870 427 HA ILE 52 HA ILE 52 28.475 5.411 2.989 428 HB ILE 52 HB ILE 52 26.214 4.593 2.487 429 HG12 ILE 52 HG12 ILE 52 25.315 6.748 1.541 430 HG13 ILE 52 HG13 ILE 52 26.587 7.592 2.418 431 HG21 ILE 52 HG21 ILE 52 24.677 6.634 3.776 432 HG22 ILE 52 HG22 ILE 52 24.508 4.882 3.875 433 HG23 ILE 52 HG23 ILE 52 25.591 5.727 4.981 434 HD11 ILE 52 HD11 ILE 52 27.345 5.372 0.595 435 HD12 ILE 52 HD12 ILE 52 26.882 6.928 -0.095 436 HD13 ILE 52 HD13 ILE 52 28.233 6.831 1.034 437 H LYS 53 H LYS 53 28.972 7.557 2.920 438 HA LYS 53 HA LYS 53 28.211 9.204 5.236 439 HB2 LYS 53 HB2 LYS 53 30.499 10.210 5.158 440 HB3 LYS 53 HB3 LYS 53 30.473 8.523 5.655 441 HG2 LYS 53 HG2 LYS 53 30.902 9.153 2.780 442 HG3 LYS 53 HG3 LYS 53 32.228 9.408 3.918 443 HD2 LYS 53 HD2 LYS 53 31.704 7.011 4.717 444 HD3 LYS 53 HD3 LYS 53 30.822 6.859 3.196 445 HE2 LYS 53 HE2 LYS 53 33.028 6.029 2.838 446 HE3 LYS 53 HE3 LYS 53 32.903 7.582 2.014 447 HZ1 LYS 53 HZ1 LYS 53 34.773 6.814 3.920 448 HZ2 LYS 53 HZ2 LYS 53 33.801 7.990 4.651 449 HZ3 LYS 53 HZ3 LYS 53 34.597 8.334 3.198 Start of MODEL 6 1 H1 MET 1 H MET 1 -0.069 -1.012 -1.751 2 HA MET 1 HA MET 1 1.298 1.579 -1.586 3 HB2 MET 1 HB2 MET 1 0.659 -0.565 0.388 4 HB3 MET 1 HB3 MET 1 2.081 0.430 0.668 5 HG2 MET 1 HG2 MET 1 0.609 2.440 0.465 6 HG3 MET 1 HG3 MET 1 -0.770 1.344 0.427 7 HE1 MET 1 HE1 MET 1 -1.014 -0.515 2.022 8 HE2 MET 1 HE2 MET 1 0.359 -0.889 3.065 9 HE3 MET 1 HE3 MET 1 -1.098 -0.166 3.749 10 H ALA 2 H ALA 2 3.623 1.448 -0.825 11 HA ALA 2 HA ALA 2 5.145 -0.887 -1.433 12 HB1 ALA 2 HB1 ALA 2 6.428 0.281 -3.323 13 HB2 ALA 2 HB2 ALA 2 4.859 -0.429 -3.703 14 HB3 ALA 2 HB3 ALA 2 5.004 1.313 -3.466 15 H GLY 3 H GLY 3 6.453 -0.718 0.284 16 HA2 GLY 3 HA2 GLY 3 7.703 1.897 0.831 17 HA3 GLY 3 HA3 GLY 3 7.469 0.626 2.022 18 H PHE 4 H PHE 4 8.546 -0.314 -1.109 19 HA PHE 4 HA PHE 4 11.278 -0.646 -0.053 20 HB2 PHE 4 HB2 PHE 4 10.269 -2.817 -0.211 21 HB3 PHE 4 HB3 PHE 4 9.667 -2.481 -1.831 22 HD1 PHE 4 HD1 PHE 4 12.806 -2.871 0.115 23 HD2 PHE 4 HD2 PHE 4 10.917 -3.078 -3.694 24 HE1 PHE 4 HE1 PHE 4 14.848 -3.855 -0.841 25 HE2 PHE 4 HE2 PHE 4 12.956 -4.062 -4.656 26 HZ PHE 4 HZ PHE 4 14.925 -4.453 -3.229 27 H LEU 5 H LEU 5 9.672 -0.882 -3.229 28 HA LEU 5 HA LEU 5 11.839 -0.076 -4.758 29 HB2 LEU 5 HB2 LEU 5 8.879 0.087 -5.200 30 HB3 LEU 5 HB3 LEU 5 10.016 0.688 -6.405 31 HG LEU 5 HG LEU 5 10.367 -2.101 -5.440 32 HD11 LEU 5 HD11 LEU 5 8.741 -2.752 -7.323 33 HD12 LEU 5 HD12 LEU 5 8.073 -1.135 -7.106 34 HD13 LEU 5 HD13 LEU 5 8.071 -2.277 -5.762 35 HD21 LEU 5 HD21 LEU 5 11.692 -2.213 -7.220 36 HD22 LEU 5 HD22 LEU 5 11.451 -0.478 -7.433 37 HD23 LEU 5 HD23 LEU 5 10.413 -1.624 -8.283 38 H LYS 6 H LYS 6 9.630 1.814 -2.870 39 HA LYS 6 HA LYS 6 10.257 4.325 -4.115 40 HB2 LYS 6 HB2 LYS 6 8.123 4.179 -3.086 41 HB3 LYS 6 HB3 LYS 6 8.805 3.566 -1.585 42 HG2 LYS 6 HG2 LYS 6 8.112 5.864 -1.319 43 HG3 LYS 6 HG3 LYS 6 9.869 5.739 -1.191 44 HD2 LYS 6 HD2 LYS 6 10.084 6.478 -3.518 45 HD3 LYS 6 HD3 LYS 6 8.328 6.608 -3.638 46 HE2 LYS 6 HE2 LYS 6 8.494 8.210 -1.653 47 HE3 LYS 6 HE3 LYS 6 10.224 8.255 -1.988 48 HZ1 LYS 6 HZ1 LYS 6 9.923 9.492 -3.820 49 HZ2 LYS 6 HZ2 LYS 6 8.451 9.908 -3.097 50 HZ3 LYS 6 HZ3 LYS 6 8.501 8.697 -4.277 51 H VAL 7 H VAL 7 11.044 2.855 -0.964 52 HA VAL 7 HA VAL 7 12.790 4.892 -0.116 53 HB VAL 7 HB VAL 7 13.641 3.257 1.517 54 HG11 VAL 7 HG11 VAL 7 10.646 3.233 1.159 55 HG12 VAL 7 HG12 VAL 7 11.497 2.801 2.643 56 HG13 VAL 7 HG13 VAL 7 11.592 4.448 2.019 57 HG21 VAL 7 HG21 VAL 7 12.879 0.981 1.548 58 HG22 VAL 7 HG22 VAL 7 11.843 1.260 0.147 59 HG23 VAL 7 HG23 VAL 7 13.597 1.307 -0.030 60 H VAL 8 H VAL 8 13.219 2.199 -2.255 61 HA VAL 8 HA VAL 8 16.104 2.249 -2.145 62 HB VAL 8 HB VAL 8 14.247 0.840 -4.067 63 HG11 VAL 8 HG11 VAL 8 16.361 1.125 -5.136 64 HG12 VAL 8 HG12 VAL 8 17.228 0.647 -3.675 65 HG13 VAL 8 HG13 VAL 8 16.274 -0.541 -4.565 66 HG21 VAL 8 HG21 VAL 8 13.964 -0.702 -2.495 67 HG22 VAL 8 HG22 VAL 8 15.709 -0.896 -2.330 68 HG23 VAL 8 HG23 VAL 8 14.861 0.312 -1.365 69 H GLN 9 H GLN 9 13.605 3.798 -3.955 70 HA GLN 9 HA GLN 9 15.082 4.453 -6.275 71 HB2 GLN 9 HB2 GLN 9 12.576 5.454 -5.001 72 HB3 GLN 9 HB3 GLN 9 13.315 6.423 -6.269 73 HG2 GLN 9 HG2 GLN 9 12.947 3.543 -6.824 74 HG3 GLN 9 HG3 GLN 9 11.497 4.544 -6.754 75 HE21 GLN 9 HE21 GLN 9 14.287 3.694 -8.543 76 HE22 GLN 9 HE22 GLN 9 13.998 4.710 -9.910 77 H LEU 10 H LEU 10 14.816 5.914 -3.110 78 HA LEU 10 HA LEU 10 15.967 8.417 -3.755 79 HB2 LEU 10 HB2 LEU 10 15.537 6.877 -1.234 80 HB3 LEU 10 HB3 LEU 10 16.552 8.318 -1.210 81 HG LEU 10 HG LEU 10 14.276 8.813 -0.489 82 HD11 LEU 10 HD11 LEU 10 14.321 10.827 -1.461 83 HD12 LEU 10 HD12 LEU 10 14.225 10.153 -3.087 84 HD13 LEU 10 HD13 LEU 10 15.780 10.241 -2.261 85 HD21 LEU 10 HD21 LEU 10 13.237 6.997 -1.901 86 HD22 LEU 10 HD22 LEU 10 13.371 8.101 -3.270 87 HD23 LEU 10 HD23 LEU 10 12.379 8.538 -1.878 88 H LEU 11 H LEU 11 17.311 5.303 -2.871 89 HA LEU 11 HA LEU 11 19.916 6.061 -2.234 90 HB2 LEU 11 HB2 LEU 11 18.699 3.578 -3.366 91 HB3 LEU 11 HB3 LEU 11 20.451 3.715 -3.237 92 HG LEU 11 HG LEU 11 19.559 2.492 -1.349 93 HD11 LEU 11 HD11 LEU 11 21.292 4.619 -1.216 94 HD12 LEU 11 HD12 LEU 11 21.027 3.420 0.049 95 HD13 LEU 11 HD13 LEU 11 20.154 4.952 0.089 96 HD21 LEU 11 HD21 LEU 11 17.322 3.843 -1.532 97 HD22 LEU 11 HD22 LEU 11 18.108 4.904 -0.362 98 HD23 LEU 11 HD23 LEU 11 17.858 3.200 0.021 99 H ALA 12 H ALA 12 18.293 5.977 -5.276 100 HA ALA 12 HA ALA 12 20.344 5.648 -7.093 101 HB1 ALA 12 HB1 ALA 12 18.910 6.449 -8.673 102 HB2 ALA 12 HB2 ALA 12 17.760 6.133 -7.374 103 HB3 ALA 12 HB3 ALA 12 18.346 7.772 -7.653 104 H LYS 13 H LYS 13 19.492 8.497 -5.210 105 HA LYS 13 HA LYS 13 21.207 10.313 -6.543 106 HB2 LYS 13 HB2 LYS 13 20.759 11.818 -4.763 107 HB3 LYS 13 HB3 LYS 13 19.282 10.895 -5.007 108 HG2 LYS 13 HG2 LYS 13 19.382 10.761 -2.756 109 HG3 LYS 13 HG3 LYS 13 20.406 9.373 -3.131 110 HD2 LYS 13 HD2 LYS 13 22.287 10.399 -2.405 111 HD3 LYS 13 HD3 LYS 13 21.774 11.983 -2.991 112 HE2 LYS 13 HE2 LYS 13 20.290 10.810 -0.704 113 HE3 LYS 13 HE3 LYS 13 21.924 11.399 -0.400 114 HZ1 LYS 13 HZ1 LYS 13 21.081 13.427 -0.274 115 HZ2 LYS 13 HZ2 LYS 13 19.541 12.878 -0.705 116 HZ3 LYS 13 HZ3 LYS 13 20.640 13.341 -1.905 117 H TYR 14 H TYR 14 21.680 8.025 -3.939 118 HA TYR 14 HA TYR 14 24.218 9.036 -3.112 119 HB2 TYR 14 HB2 TYR 14 22.654 6.537 -2.582 120 HB3 TYR 14 HB3 TYR 14 24.350 6.611 -2.118 121 HD1 TYR 14 HD2 TYR 14 25.080 8.503 -0.569 122 HD2 TYR 14 HD1 TYR 14 20.999 7.489 -1.221 123 HE1 TYR 14 HE2 TYR 14 24.465 9.667 1.509 124 HE2 TYR 14 HE1 TYR 14 20.373 8.651 0.854 125 HH TYR 14 HH TYR 14 21.961 10.822 2.297 126 H GLY 15 H GLY 15 23.147 6.494 -5.321 127 HA2 GLY 15 HA2 GLY 15 24.880 6.499 -7.274 128 HA3 GLY 15 HA3 GLY 15 25.939 5.903 -6.005 129 H SER 16 H SER 16 26.165 4.050 -7.468 130 HA SER 16 HA SER 16 23.862 2.224 -7.380 131 HB2 SER 16 HB2 SER 16 24.912 2.794 -9.614 132 HB3 SER 16 HB3 SER 16 26.348 1.924 -9.073 133 HG SER 16 HG SER 16 24.688 0.724 -10.333 134 H LYS 17 H LYS 17 25.706 2.762 -5.150 135 HA LYS 17 HA LYS 17 26.902 0.086 -4.854 136 HB2 LYS 17 HB2 LYS 17 27.732 2.785 -3.866 137 HB3 LYS 17 HB3 LYS 17 28.162 1.363 -2.924 138 HG2 LYS 17 HG2 LYS 17 30.016 1.611 -4.246 139 HG3 LYS 17 HG3 LYS 17 29.064 0.472 -5.201 140 HD2 LYS 17 HD2 LYS 17 28.378 2.149 -6.707 141 HD3 LYS 17 HD3 LYS 17 28.899 3.444 -5.626 142 HE2 LYS 17 HE2 LYS 17 30.714 1.480 -7.023 143 HE3 LYS 17 HE3 LYS 17 30.435 3.149 -7.517 144 HZ1 LYS 17 HZ1 LYS 17 31.963 2.113 -5.246 145 HZ2 LYS 17 HZ2 LYS 17 31.180 3.600 -5.059 146 HZ3 LYS 17 HZ3 LYS 17 32.320 3.394 -6.291 147 H ALA 18 H ALA 18 25.223 2.667 -3.078 148 HA ALA 18 HA ALA 18 24.667 0.997 -0.817 149 HB1 ALA 18 HB1 ALA 18 23.559 3.684 -1.620 150 HB2 ALA 18 HB2 ALA 18 23.245 2.884 -0.079 151 HB3 ALA 18 HB3 ALA 18 24.886 3.375 -0.500 152 H VAL 19 H VAL 19 23.019 1.836 -3.779 153 HA VAL 19 HA VAL 19 20.422 0.991 -3.039 154 HB VAL 19 HB VAL 19 20.889 2.417 -5.011 155 HG11 VAL 19 HG11 VAL 19 22.902 1.089 -5.732 156 HG12 VAL 19 HG12 VAL 19 21.782 -0.106 -6.389 157 HG13 VAL 19 HG13 VAL 19 21.790 1.539 -7.024 158 HG21 VAL 19 HG21 VAL 19 18.849 1.792 -5.625 159 HG22 VAL 19 HG22 VAL 19 19.537 0.424 -6.500 160 HG23 VAL 19 HG23 VAL 19 19.061 0.242 -4.811 161 H GLN 20 H GLN 20 23.241 -0.694 -4.241 162 HA GLN 20 HA GLN 20 22.041 -3.072 -5.091 163 HB2 GLN 20 HB2 GLN 20 24.416 -2.431 -5.488 164 HB3 GLN 20 HB3 GLN 20 24.755 -2.770 -3.796 165 HG2 GLN 20 HG2 GLN 20 24.293 -5.082 -4.080 166 HG3 GLN 20 HG3 GLN 20 23.648 -4.814 -5.699 167 HE21 GLN 20 HE21 GLN 20 25.226 -6.530 -6.193 168 HE22 GLN 20 HE22 GLN 20 26.851 -6.065 -6.551 169 H TRP 21 H TRP 21 23.349 -2.192 -1.905 170 HA TRP 21 HA TRP 21 22.946 -4.573 -0.570 171 HB2 TRP 21 HB2 TRP 21 24.083 -2.534 0.343 172 HB3 TRP 21 HB3 TRP 21 22.492 -1.827 0.612 173 HD1 TRP 21 HD1 TRP 21 24.515 -4.940 1.736 174 HE1 TRP 21 HE1 TRP 21 23.789 -5.531 4.134 175 HE3 TRP 21 HE3 TRP 21 20.823 -1.457 2.348 176 HZ2 TRP 21 HZ2 TRP 21 21.900 -4.639 6.032 177 HZ3 TRP 21 HZ3 TRP 21 19.604 -1.393 4.484 178 HH2 TRP 21 HH2 TRP 21 20.133 -2.952 6.287 179 H ALA 22 H ALA 22 20.663 -1.848 -0.828 180 HA ALA 22 HA ALA 22 18.550 -2.936 0.593 181 HB1 ALA 22 HB1 ALA 22 18.617 -0.614 -0.172 182 HB2 ALA 22 HB2 ALA 22 18.380 -1.154 -1.834 183 HB3 ALA 22 HB3 ALA 22 17.110 -1.403 -0.637 184 H TRP 23 H TRP 23 19.548 -3.519 -2.723 185 HA TRP 23 HA TRP 23 17.196 -5.034 -3.391 186 HB2 TRP 23 HB2 TRP 23 19.731 -4.291 -4.761 187 HB3 TRP 23 HB3 TRP 23 18.885 -5.721 -5.344 188 HD1 TRP 23 HD1 TRP 23 18.698 -1.943 -5.325 189 HE1 TRP 23 HE1 TRP 23 16.745 -1.182 -6.818 190 HE3 TRP 23 HE3 TRP 23 16.490 -6.480 -6.146 191 HZ2 TRP 23 HZ2 TRP 23 14.557 -2.351 -8.166 192 HZ3 TRP 23 HZ3 TRP 23 14.470 -6.572 -7.548 193 HH2 TRP 23 HH2 TRP 23 13.525 -4.549 -8.535 194 H ALA 24 H ALA 24 20.387 -5.702 -2.149 195 HA ALA 24 HA ALA 24 20.404 -8.494 -2.659 196 HB1 ALA 24 HB1 ALA 24 22.217 -6.644 -1.687 197 HB2 ALA 24 HB2 ALA 24 21.926 -7.717 -0.318 198 HB3 ALA 24 HB3 ALA 24 22.477 -8.381 -1.856 199 H ASN 25 H ASN 25 20.078 -6.813 0.475 200 HA ASN 25 HA ASN 25 19.030 -9.110 1.780 201 HB2 ASN 25 HB2 ASN 25 19.206 -6.199 2.550 202 HB3 ASN 25 HB3 ASN 25 18.460 -7.401 3.600 203 HD21 ASN 25 HD21 ASN 25 21.421 -6.287 2.163 204 HD22 ASN 25 HD22 ASN 25 22.489 -7.191 3.177 205 H LYS 26 H LYS 26 17.202 -9.857 0.767 206 HA LYS 26 HA LYS 26 14.920 -8.023 0.544 207 HB2 LYS 26 HB2 LYS 26 15.621 -10.623 -0.778 208 HB3 LYS 26 HB3 LYS 26 13.947 -10.088 -0.719 209 HG2 LYS 26 HG2 LYS 26 16.099 -8.290 -1.764 210 HG3 LYS 26 HG3 LYS 26 15.356 -9.520 -2.789 211 HD2 LYS 26 HD2 LYS 26 13.704 -7.544 -1.244 212 HD3 LYS 26 HD3 LYS 26 14.358 -7.159 -2.838 213 HE2 LYS 26 HE2 LYS 26 13.225 -9.149 -3.751 214 HE3 LYS 26 HE3 LYS 26 12.535 -9.467 -2.160 215 HZ1 LYS 26 HZ1 LYS 26 11.726 -7.567 -4.162 216 HZ2 LYS 26 HZ2 LYS 26 11.846 -6.893 -2.615 217 HZ3 LYS 26 HZ3 LYS 26 10.842 -8.229 -2.880 218 H GLY 27 H GLY 27 14.125 -7.967 2.621 219 HA2 GLY 27 HA2 GLY 27 12.177 -9.437 3.566 220 HA3 GLY 27 HA3 GLY 27 13.515 -10.514 3.938 221 H LYS 28 H LYS 28 15.425 -8.568 4.664 222 HA LYS 28 HA LYS 28 14.682 -8.144 7.375 223 HB2 LYS 28 HB2 LYS 28 17.034 -7.000 5.858 224 HB3 LYS 28 HB3 LYS 28 16.868 -7.082 7.607 225 HG2 LYS 28 HG2 LYS 28 16.820 -9.550 5.906 226 HG3 LYS 28 HG3 LYS 28 18.332 -8.829 6.465 227 HD2 LYS 28 HD2 LYS 28 17.998 -10.226 8.216 228 HD3 LYS 28 HD3 LYS 28 16.989 -8.895 8.786 229 HE2 LYS 28 HE2 LYS 28 15.156 -10.158 7.353 230 HE3 LYS 28 HE3 LYS 28 16.209 -11.537 7.663 231 HZ1 LYS 28 HZ1 LYS 28 16.000 -10.384 10.096 232 HZ2 LYS 28 HZ2 LYS 28 15.080 -11.700 9.564 233 HZ3 LYS 28 HZ3 LYS 28 14.453 -10.132 9.457 234 H ILE 29 H ILE 29 15.400 -5.862 4.730 235 HA ILE 29 HA ILE 29 14.706 -3.536 6.139 236 HB ILE 29 HB ILE 29 14.562 -3.998 3.157 237 HG12 ILE 29 HG12 ILE 29 16.819 -2.949 4.880 238 HG13 ILE 29 HG13 ILE 29 16.778 -4.518 4.083 239 HG21 ILE 29 HG21 ILE 29 13.902 -1.890 2.958 240 HG22 ILE 29 HG22 ILE 29 13.766 -1.792 4.713 241 HG23 ILE 29 HG23 ILE 29 15.273 -1.337 3.919 242 HD11 ILE 29 HD11 ILE 29 18.120 -3.179 2.725 243 HD12 ILE 29 HD12 ILE 29 16.556 -3.215 1.908 244 HD13 ILE 29 HD13 ILE 29 17.027 -1.801 2.851 245 H LEU 30 H LEU 30 12.796 -5.658 4.046 246 HA LEU 30 HA LEU 30 10.462 -4.158 3.893 247 HB2 LEU 30 HB2 LEU 30 11.081 -7.069 3.754 248 HB3 LEU 30 HB3 LEU 30 9.395 -6.563 3.837 249 HG LEU 30 HG LEU 30 10.067 -6.967 1.539 250 HD11 LEU 30 HD11 LEU 30 8.812 -5.278 0.797 251 HD12 LEU 30 HD12 LEU 30 9.938 -4.059 1.392 252 HD13 LEU 30 HD13 LEU 30 8.742 -4.760 2.481 253 HD21 LEU 30 HD21 LEU 30 12.477 -6.460 1.872 254 HD22 LEU 30 HD22 LEU 30 12.071 -4.744 1.908 255 HD23 LEU 30 HD23 LEU 30 11.781 -5.689 0.447 256 H ASP 31 H ASP 31 11.782 -5.963 6.535 257 HA ASP 31 HA ASP 31 9.354 -6.191 8.030 258 HB2 ASP 31 HB2 ASP 31 11.662 -7.488 8.224 259 HB3 ASP 31 HB3 ASP 31 12.013 -6.209 9.384 260 H TRP 32 H TRP 32 12.021 -3.895 7.917 261 HA TRP 32 HA TRP 32 11.486 -2.411 10.200 262 HB2 TRP 32 HB2 TRP 32 12.639 -1.631 7.527 263 HB3 TRP 32 HB3 TRP 32 12.493 -0.476 8.849 264 HD1 TRP 32 HD1 TRP 32 13.300 -2.819 11.084 265 HE1 TRP 32 HE1 TRP 32 15.806 -3.353 11.331 266 HE3 TRP 32 HE3 TRP 32 14.967 -0.973 6.618 267 HZ2 TRP 32 HZ2 TRP 32 18.176 -3.033 9.832 268 HZ3 TRP 32 HZ3 TRP 32 17.368 -1.125 6.102 269 HH2 TRP 32 HH2 TRP 32 18.938 -2.134 7.677 270 H LEU 33 H LEU 33 9.788 -2.529 7.177 271 HA LEU 33 HA LEU 33 8.361 -0.072 7.515 272 HB2 LEU 33 HB2 LEU 33 7.803 -2.465 5.769 273 HB3 LEU 33 HB3 LEU 33 6.938 -0.932 5.683 274 HG LEU 33 HG LEU 33 9.901 -0.961 5.311 275 HD11 LEU 33 HD11 LEU 33 8.651 -2.743 3.870 276 HD12 LEU 33 HD12 LEU 33 9.831 -1.665 3.125 277 HD13 LEU 33 HD13 LEU 33 8.107 -1.334 2.958 278 HD21 LEU 33 HD21 LEU 33 7.585 0.757 4.508 279 HD22 LEU 33 HD22 LEU 33 9.111 0.836 3.626 280 HD23 LEU 33 HD23 LEU 33 9.069 1.203 5.351 281 H ASN 34 H ASN 34 7.491 -3.503 7.903 282 HA ASN 34 HA ASN 34 4.870 -3.059 8.815 283 HB2 ASN 34 HB2 ASN 34 6.785 -5.364 9.158 284 HB3 ASN 34 HB3 ASN 34 5.155 -5.397 9.824 285 HD21 ASN 34 HD21 ASN 34 6.846 -6.578 7.420 286 HD22 ASN 34 HD22 ASN 34 5.673 -6.602 6.152 287 H ALA 35 H ALA 35 7.956 -3.194 10.490 288 HA ALA 35 HA ALA 35 6.744 -3.068 13.109 289 HB1 ALA 35 HB1 ALA 35 9.635 -2.754 12.308 290 HB2 ALA 35 HB2 ALA 35 9.023 -2.984 13.946 291 HB3 ALA 35 HB3 ALA 35 8.853 -4.271 12.753 292 H GLY 36 H GLY 36 8.058 -0.849 10.761 293 HA2 GLY 36 HA2 GLY 36 6.990 1.390 12.236 294 HA3 GLY 36 HA3 GLY 36 8.746 1.371 12.160 295 H GLN 37 H GLN 37 5.810 1.935 10.434 296 HA GLN 37 HA GLN 37 6.946 2.117 7.829 297 HB2 GLN 37 HB2 GLN 37 4.339 2.647 9.082 298 HB3 GLN 37 HB3 GLN 37 4.707 3.678 7.706 299 HG2 GLN 37 HG2 GLN 37 5.377 0.986 7.051 300 HG3 GLN 37 HG3 GLN 37 3.740 1.034 7.702 301 HE21 GLN 37 HE21 GLN 37 5.291 0.971 4.929 302 HE22 GLN 37 HE22 GLN 37 4.269 1.955 3.943 303 H ALA 38 H ALA 38 8.798 3.430 8.116 304 HA ALA 38 HA ALA 38 8.178 6.291 8.081 305 HB1 ALA 38 HB1 ALA 38 10.364 6.577 9.457 306 HB2 ALA 38 HB2 ALA 38 8.854 6.198 10.287 307 HB3 ALA 38 HB3 ALA 38 10.035 4.925 9.982 308 H ILE 39 H ILE 39 10.277 7.541 7.483 309 HA ILE 39 HA ILE 39 11.641 6.037 5.346 310 HB ILE 39 HB ILE 39 11.028 8.994 5.390 311 HG12 ILE 39 HG12 ILE 39 9.654 8.095 3.281 312 HG13 ILE 39 HG13 ILE 39 9.606 6.633 4.261 313 HG21 ILE 39 HG21 ILE 39 12.871 8.914 4.054 314 HG22 ILE 39 HG22 ILE 39 12.597 7.237 3.586 315 HG23 ILE 39 HG23 ILE 39 11.638 8.524 2.855 316 HD11 ILE 39 HD11 ILE 39 8.136 9.113 4.542 317 HD12 ILE 39 HD12 ILE 39 7.814 7.518 5.224 318 HD13 ILE 39 HD13 ILE 39 8.923 8.619 6.041 319 H ASP 40 H ASP 40 12.120 9.095 7.121 320 HA ASP 40 HA ASP 40 14.891 9.162 6.910 321 HB2 ASP 40 HB2 ASP 40 13.004 10.330 8.950 322 HB3 ASP 40 HB3 ASP 40 14.742 10.612 9.019 323 H TRP 41 H TRP 41 12.858 7.306 9.010 324 HA TRP 41 HA TRP 41 14.941 6.666 10.895 325 HB2 TRP 41 HB2 TRP 41 12.535 6.733 11.529 326 HB3 TRP 41 HB3 TRP 41 12.254 5.335 10.496 327 HD1 TRP 41 HD1 TRP 41 14.012 6.315 13.774 328 HE1 TRP 41 HE1 TRP 41 14.359 4.184 15.175 329 HE3 TRP 41 HE3 TRP 41 12.451 2.838 10.366 330 HZ2 TRP 41 HZ2 TRP 41 14.017 1.398 14.876 331 HZ3 TRP 41 HZ3 TRP 41 12.493 0.462 11.002 332 HH2 TRP 41 HH2 TRP 41 13.260 -0.241 13.211 333 H VAL 42 H VAL 42 13.734 5.376 7.917 334 HA VAL 42 HA VAL 42 14.962 2.782 8.270 335 HB VAL 42 HB VAL 42 13.721 4.030 5.813 336 HG11 VAL 42 HG11 VAL 42 15.185 1.545 6.242 337 HG12 VAL 42 HG12 VAL 42 13.590 1.303 5.527 338 HG13 VAL 42 HG13 VAL 42 14.759 2.365 4.741 339 HG21 VAL 42 HG21 VAL 42 12.619 2.103 7.855 340 HG22 VAL 42 HG22 VAL 42 12.078 3.755 7.553 341 HG23 VAL 42 HG23 VAL 42 11.829 2.508 6.331 342 H VAL 43 H VAL 43 15.522 5.653 6.249 343 HA VAL 43 HA VAL 43 17.763 4.723 4.868 344 HB VAL 43 HB VAL 43 17.196 7.571 5.704 345 HG11 VAL 43 HG11 VAL 43 19.175 7.991 4.772 346 HG12 VAL 43 HG12 VAL 43 19.315 6.344 4.153 347 HG13 VAL 43 HG13 VAL 43 18.436 7.563 3.229 348 HG21 VAL 43 HG21 VAL 43 15.317 6.515 4.507 349 HG22 VAL 43 HG22 VAL 43 16.067 7.811 3.574 350 HG23 VAL 43 HG23 VAL 43 16.407 6.127 3.175 351 H SER 44 H SER 44 17.446 6.061 8.084 352 HA SER 44 HA SER 44 20.139 6.675 8.578 353 HB2 SER 44 HB2 SER 44 18.005 7.193 9.983 354 HB3 SER 44 HB3 SER 44 18.327 5.631 10.736 355 HG SER 44 HG SER 44 20.579 6.608 10.944 356 H LYS 45 H LYS 45 18.507 3.665 8.330 357 HA LYS 45 HA LYS 45 20.638 2.218 9.709 358 HB2 LYS 45 HB2 LYS 45 17.896 1.527 8.750 359 HB3 LYS 45 HB3 LYS 45 19.074 0.233 8.928 360 HG2 LYS 45 HG2 LYS 45 18.143 0.169 10.994 361 HG3 LYS 45 HG3 LYS 45 19.409 1.360 11.298 362 HD2 LYS 45 HD2 LYS 45 17.922 3.128 11.325 363 HD3 LYS 45 HD3 LYS 45 16.725 2.270 10.353 364 HE2 LYS 45 HE2 LYS 45 16.084 2.563 12.745 365 HE3 LYS 45 HE3 LYS 45 16.115 0.885 12.204 366 HZ1 LYS 45 HZ1 LYS 45 18.241 0.587 13.254 367 HZ2 LYS 45 HZ2 LYS 45 17.148 1.200 14.391 368 HZ3 LYS 45 HZ3 LYS 45 18.307 2.218 13.698 369 H ILE 46 H ILE 46 20.939 3.628 7.077 370 HA ILE 46 HA ILE 46 21.765 1.304 5.461 371 HB ILE 46 HB ILE 46 21.062 4.075 4.486 372 HG12 ILE 46 HG12 ILE 46 19.584 1.449 4.212 373 HG13 ILE 46 HG13 ILE 46 19.091 2.809 5.214 374 HG21 ILE 46 HG21 ILE 46 21.784 1.586 2.945 375 HG22 ILE 46 HG22 ILE 46 21.293 3.129 2.248 376 HG23 ILE 46 HG23 ILE 46 22.805 3.009 3.147 377 HD11 ILE 46 HD11 ILE 46 17.767 2.940 3.294 378 HD12 ILE 46 HD12 ILE 46 19.023 4.157 3.061 379 HD13 ILE 46 HD13 ILE 46 19.130 2.608 2.225 380 H LYS 47 H LYS 47 22.698 4.368 6.839 381 HA LYS 47 HA LYS 47 25.300 4.341 5.551 382 HB2 LYS 47 HB2 LYS 47 25.692 6.431 6.762 383 HB3 LYS 47 HB3 LYS 47 24.161 6.481 5.898 384 HG2 LYS 47 HG2 LYS 47 23.777 5.493 8.572 385 HG3 LYS 47 HG3 LYS 47 24.612 7.049 8.590 386 HD2 LYS 47 HD2 LYS 47 22.116 6.552 6.982 387 HD3 LYS 47 HD3 LYS 47 22.081 7.135 8.647 388 HE2 LYS 47 HE2 LYS 47 23.690 8.517 6.522 389 HE3 LYS 47 HE3 LYS 47 21.980 8.870 6.763 390 HZ1 LYS 47 HZ1 LYS 47 22.790 10.378 8.195 391 HZ2 LYS 47 HZ2 LYS 47 24.263 9.574 8.405 392 HZ3 LYS 47 HZ3 LYS 47 22.893 9.065 9.257 393 H GLN 48 H GLN 48 23.849 3.309 8.503 394 HA GLN 48 HA GLN 48 26.324 3.176 9.980 395 HB2 GLN 48 HB2 GLN 48 25.015 2.228 11.762 396 HB3 GLN 48 HB3 GLN 48 24.122 3.579 11.075 397 HG2 GLN 48 HG2 GLN 48 22.781 1.972 9.761 398 HG3 GLN 48 HG3 GLN 48 23.626 0.655 10.574 399 HE21 GLN 48 HE21 GLN 48 22.554 -0.192 12.195 400 HE22 GLN 48 HE22 GLN 48 21.427 0.625 13.218 401 H ILE 49 H ILE 49 24.492 1.124 7.889 402 HA ILE 49 HA ILE 49 25.667 -1.343 8.763 403 HB ILE 49 HB ILE 49 24.214 -0.724 6.189 404 HG12 ILE 49 HG12 ILE 49 22.796 -0.303 8.122 405 HG13 ILE 49 HG13 ILE 49 22.274 -1.777 7.315 406 HG21 ILE 49 HG21 ILE 49 23.802 -3.347 6.626 407 HG22 ILE 49 HG22 ILE 49 25.111 -2.716 5.629 408 HG23 ILE 49 HG23 ILE 49 25.420 -3.170 7.305 409 HD11 ILE 49 HD11 ILE 49 22.198 -2.410 9.510 410 HD12 ILE 49 HD12 ILE 49 23.825 -2.929 9.070 411 HD13 ILE 49 HD13 ILE 49 23.589 -1.423 9.958 412 H LEU 50 H LEU 50 25.828 0.150 5.534 413 HA LEU 50 HA LEU 50 28.329 -1.133 4.973 414 HB2 LEU 50 HB2 LEU 50 27.072 1.092 3.391 415 HB3 LEU 50 HB3 LEU 50 28.182 -0.153 2.823 416 HG LEU 50 HG LEU 50 25.327 -0.618 3.686 417 HD11 LEU 50 HD11 LEU 50 26.437 -0.809 0.903 418 HD12 LEU 50 HD12 LEU 50 25.729 0.677 1.534 419 HD13 LEU 50 HD13 LEU 50 24.750 -0.785 1.419 420 HD21 LEU 50 HD21 LEU 50 27.474 -2.436 2.622 421 HD22 LEU 50 HD22 LEU 50 25.758 -2.841 2.554 422 HD23 LEU 50 HD23 LEU 50 26.546 -2.595 4.113 423 H GLY 51 H GLY 51 27.405 2.320 5.044 424 HA2 GLY 51 HA2 GLY 51 28.850 3.667 6.633 425 HA3 GLY 51 HA3 GLY 51 30.199 2.929 5.781 426 H ILE 52 H ILE 52 27.194 4.111 4.355 427 HA ILE 52 HA ILE 52 28.616 5.599 2.379 428 HB ILE 52 HB ILE 52 26.392 4.537 1.986 429 HG12 ILE 52 HG12 ILE 52 25.849 7.372 1.399 430 HG13 ILE 52 HG13 ILE 52 27.445 6.815 0.907 431 HG21 ILE 52 HG21 ILE 52 24.857 6.774 3.025 432 HG22 ILE 52 HG22 ILE 52 24.573 5.040 3.174 433 HG23 ILE 52 HG23 ILE 52 25.663 5.854 4.296 434 HD11 ILE 52 HD11 ILE 52 26.334 4.953 -0.315 435 HD12 ILE 52 HD12 ILE 52 24.784 5.709 0.057 436 HD13 ILE 52 HD13 ILE 52 25.966 6.563 -0.935 437 H LYS 53 H LYS 53 28.847 7.797 2.138 438 HA LYS 53 HA LYS 53 28.389 9.381 4.571 439 HB2 LYS 53 HB2 LYS 53 30.333 9.696 2.286 440 HB3 LYS 53 HB3 LYS 53 30.058 10.962 3.476 441 HG2 LYS 53 HG2 LYS 53 30.748 8.232 4.433 442 HG3 LYS 53 HG3 LYS 53 32.020 9.244 3.745 443 HD2 LYS 53 HD2 LYS 53 31.511 11.002 5.352 444 HD3 LYS 53 HD3 LYS 53 30.193 10.033 6.016 445 HE2 LYS 53 HE2 LYS 53 31.701 8.404 6.856 446 HE3 LYS 53 HE3 LYS 53 33.050 9.088 5.950 447 HZ1 LYS 53 HZ1 LYS 53 32.350 11.186 7.406 448 HZ2 LYS 53 HZ2 LYS 53 33.478 10.040 7.932 449 HZ3 LYS 53 HZ3 LYS 53 31.875 9.955 8.465 Start of MODEL 7 1 H1 MET 1 H MET 1 0.911 -1.749 -0.443 2 HA MET 1 HA MET 1 1.521 0.366 -2.260 3 HB2 MET 1 HB2 MET 1 0.560 1.587 -0.269 4 HB3 MET 1 HB3 MET 1 1.924 0.989 0.666 5 HG2 MET 1 HG2 MET 1 2.517 3.155 0.025 6 HG3 MET 1 HG3 MET 1 3.410 2.091 -1.059 7 HE1 MET 1 HE1 MET 1 0.435 4.096 -0.363 8 HE2 MET 1 HE2 MET 1 0.908 5.403 -1.448 9 HE3 MET 1 HE3 MET 1 -0.415 4.324 -1.891 10 H ALA 2 H ALA 2 3.522 0.041 -2.986 11 HA ALA 2 HA ALA 2 5.223 -1.872 -1.611 12 HB1 ALA 2 HB1 ALA 2 6.509 -1.954 -3.625 13 HB2 ALA 2 HB2 ALA 2 4.801 -2.000 -4.067 14 HB3 ALA 2 HB3 ALA 2 5.720 -0.505 -4.249 15 H GLY 3 H GLY 3 5.635 -0.378 0.198 16 HA2 GLY 3 HA2 GLY 3 6.941 2.081 -0.058 17 HA3 GLY 3 HA3 GLY 3 7.036 1.030 1.348 18 H PHE 4 H PHE 4 8.161 -1.142 -0.418 19 HA PHE 4 HA PHE 4 10.841 -0.843 0.169 20 HB2 PHE 4 HB2 PHE 4 9.985 -3.010 -0.394 21 HB3 PHE 4 HB3 PHE 4 9.499 -2.466 -1.996 22 HD1 PHE 4 HD1 PHE 4 12.389 -3.273 0.143 23 HD2 PHE 4 HD2 PHE 4 11.026 -2.443 -3.802 24 HE1 PHE 4 HE1 PHE 4 14.557 -4.010 -0.757 25 HE2 PHE 4 HE2 PHE 4 13.192 -3.179 -4.709 26 HZ PHE 4 HZ PHE 4 14.961 -3.964 -3.186 27 H LEU 5 H LEU 5 9.427 -0.530 -3.094 28 HA LEU 5 HA LEU 5 11.679 0.481 -4.358 29 HB2 LEU 5 HB2 LEU 5 8.745 0.792 -4.890 30 HB3 LEU 5 HB3 LEU 5 9.945 1.575 -5.916 31 HG LEU 5 HG LEU 5 10.392 -1.295 -5.520 32 HD11 LEU 5 HD11 LEU 5 8.584 -1.812 -7.235 33 HD12 LEU 5 HD12 LEU 5 7.862 -0.272 -6.770 34 HD13 LEU 5 HD13 LEU 5 8.062 -1.549 -5.571 35 HD21 LEU 5 HD21 LEU 5 11.242 -1.165 -7.620 36 HD22 LEU 5 HD22 LEU 5 11.359 0.542 -7.192 37 HD23 LEU 5 HD23 LEU 5 10.009 -0.032 -8.171 38 H LYS 6 H LYS 6 9.422 2.052 -2.249 39 HA LYS 6 HA LYS 6 10.106 4.732 -2.995 40 HB2 LYS 6 HB2 LYS 6 7.997 3.736 -1.714 41 HB3 LYS 6 HB3 LYS 6 8.979 4.114 -0.305 42 HG2 LYS 6 HG2 LYS 6 8.215 6.079 -2.455 43 HG3 LYS 6 HG3 LYS 6 7.411 5.913 -0.892 44 HD2 LYS 6 HD2 LYS 6 9.851 6.237 0.032 45 HD3 LYS 6 HD3 LYS 6 10.114 6.998 -1.539 46 HE2 LYS 6 HE2 LYS 6 7.982 7.758 0.457 47 HE3 LYS 6 HE3 LYS 6 9.484 8.636 0.172 48 HZ1 LYS 6 HZ1 LYS 6 8.632 8.716 -2.249 49 HZ2 LYS 6 HZ2 LYS 6 7.981 9.786 -1.112 50 HZ3 LYS 6 HZ3 LYS 6 7.118 8.402 -1.562 51 H VAL 7 H VAL 7 11.136 2.467 -0.498 52 HA VAL 7 HA VAL 7 12.914 4.420 0.707 53 HB VAL 7 HB VAL 7 13.556 2.584 2.231 54 HG11 VAL 7 HG11 VAL 7 10.710 3.379 1.842 55 HG12 VAL 7 HG12 VAL 7 11.106 2.186 3.081 56 HG13 VAL 7 HG13 VAL 7 11.829 3.794 3.140 57 HG21 VAL 7 HG21 VAL 7 13.107 0.819 0.414 58 HG22 VAL 7 HG22 VAL 7 12.702 0.418 2.083 59 HG23 VAL 7 HG23 VAL 7 11.431 0.894 0.957 60 H VAL 8 H VAL 8 13.032 2.351 -1.911 61 HA VAL 8 HA VAL 8 15.927 1.920 -1.695 62 HB VAL 8 HB VAL 8 13.939 0.752 -3.648 63 HG11 VAL 8 HG11 VAL 8 15.964 0.811 -4.810 64 HG12 VAL 8 HG12 VAL 8 16.911 0.455 -3.364 65 HG13 VAL 8 HG13 VAL 8 15.924 -0.806 -4.106 66 HG21 VAL 8 HG21 VAL 8 13.536 -0.807 -2.121 67 HG22 VAL 8 HG22 VAL 8 15.255 -1.191 -2.037 68 HG23 VAL 8 HG23 VAL 8 14.576 0.046 -0.980 69 H GLN 9 H GLN 9 13.518 3.706 -3.425 70 HA GLN 9 HA GLN 9 15.062 4.372 -5.707 71 HB2 GLN 9 HB2 GLN 9 13.397 6.151 -6.058 72 HB3 GLN 9 HB3 GLN 9 12.639 4.603 -5.708 73 HG2 GLN 9 HG2 GLN 9 11.927 5.270 -3.619 74 HG3 GLN 9 HG3 GLN 9 13.138 6.546 -3.500 75 HE21 GLN 9 HE21 GLN 9 12.525 8.548 -3.933 76 HE22 GLN 9 HE22 GLN 9 11.057 9.006 -4.720 77 H LEU 10 H LEU 10 14.972 5.566 -2.462 78 HA LEU 10 HA LEU 10 16.140 8.112 -2.959 79 HB2 LEU 10 HB2 LEU 10 15.553 6.436 -0.598 80 HB3 LEU 10 HB3 LEU 10 16.834 7.631 -0.411 81 HG LEU 10 HG LEU 10 14.585 8.382 0.362 82 HD11 LEU 10 HD11 LEU 10 16.480 9.873 -0.504 83 HD12 LEU 10 HD12 LEU 10 14.866 10.572 -0.385 84 HD13 LEU 10 HD13 LEU 10 15.490 10.058 -1.952 85 HD21 LEU 10 HD21 LEU 10 12.891 8.945 -1.253 86 HD22 LEU 10 HD22 LEU 10 13.295 7.235 -1.416 87 HD23 LEU 10 HD23 LEU 10 13.921 8.405 -2.579 88 H LEU 11 H LEU 11 17.393 4.904 -2.637 89 HA LEU 11 HA LEU 11 20.056 5.553 -1.936 90 HB2 LEU 11 HB2 LEU 11 18.726 3.177 -3.171 91 HB3 LEU 11 HB3 LEU 11 20.484 3.262 -3.090 92 HG LEU 11 HG LEU 11 19.618 1.947 -1.253 93 HD11 LEU 11 HD11 LEU 11 20.304 4.060 0.492 94 HD12 LEU 11 HD12 LEU 11 21.252 4.263 -0.981 95 HD13 LEU 11 HD13 LEU 11 21.325 2.744 -0.089 96 HD21 LEU 11 HD21 LEU 11 17.437 3.486 -1.295 97 HD22 LEU 11 HD22 LEU 11 18.299 4.264 0.033 98 HD23 LEU 11 HD23 LEU 11 17.914 2.544 0.118 99 H ALA 12 H ALA 12 18.299 5.952 -4.815 100 HA ALA 12 HA ALA 12 20.134 5.565 -6.835 101 HB1 ALA 12 HB1 ALA 12 18.801 6.915 -8.179 102 HB2 ALA 12 HB2 ALA 12 17.678 6.336 -6.947 103 HB3 ALA 12 HB3 ALA 12 18.343 7.966 -6.838 104 H LYS 13 H LYS 13 19.488 8.739 -5.334 105 HA LYS 13 HA LYS 13 21.721 10.030 -6.400 106 HB2 LYS 13 HB2 LYS 13 21.354 11.730 -4.660 107 HB3 LYS 13 HB3 LYS 13 19.847 11.251 -5.430 108 HG2 LYS 13 HG2 LYS 13 19.174 11.222 -3.267 109 HG3 LYS 13 HG3 LYS 13 19.769 9.565 -3.391 110 HD2 LYS 13 HD2 LYS 13 21.582 9.973 -2.080 111 HD3 LYS 13 HD3 LYS 13 21.732 11.647 -2.621 112 HE2 LYS 13 HE2 LYS 13 21.058 11.394 -0.232 113 HE3 LYS 13 HE3 LYS 13 19.932 12.337 -1.208 114 HZ1 LYS 13 HZ1 LYS 13 18.330 10.773 -1.036 115 HZ2 LYS 13 HZ2 LYS 13 19.150 10.395 0.394 116 HZ3 LYS 13 HZ3 LYS 13 19.416 9.476 -1.001 117 H TYR 14 H TYR 14 21.421 7.895 -3.688 118 HA TYR 14 HA TYR 14 23.821 8.640 -2.355 119 HB2 TYR 14 HB2 TYR 14 21.873 6.405 -2.176 120 HB3 TYR 14 HB3 TYR 14 23.480 6.114 -1.521 121 HD1 TYR 14 HD2 TYR 14 24.361 8.203 -0.035 122 HD2 TYR 14 HD1 TYR 14 20.289 7.154 -0.685 123 HE1 TYR 14 HE2 TYR 14 23.735 9.375 2.035 124 HE2 TYR 14 HE1 TYR 14 19.652 8.323 1.382 125 HH TYR 14 HH TYR 14 20.596 10.198 2.802 126 H GLY 15 H GLY 15 23.009 6.130 -4.724 127 HA2 GLY 15 HA2 GLY 15 25.088 5.998 -6.313 128 HA3 GLY 15 HA3 GLY 15 25.829 5.342 -4.860 129 H SER 16 H SER 16 25.558 3.982 -7.347 130 HA SER 16 HA SER 16 23.362 2.194 -7.330 131 HB2 SER 16 HB2 SER 16 24.683 0.894 -8.967 132 HB3 SER 16 HB3 SER 16 24.657 2.612 -9.363 133 HG SER 16 HG SER 16 26.762 1.540 -9.467 134 H LYS 17 H LYS 17 26.404 2.243 -5.677 135 HA LYS 17 HA LYS 17 26.442 -0.541 -5.001 136 HB2 LYS 17 HB2 LYS 17 28.472 0.936 -5.110 137 HB3 LYS 17 HB3 LYS 17 27.910 1.722 -3.640 138 HG2 LYS 17 HG2 LYS 17 28.382 -0.094 -2.323 139 HG3 LYS 17 HG3 LYS 17 28.232 -1.238 -3.658 140 HD2 LYS 17 HD2 LYS 17 30.433 0.796 -3.618 141 HD3 LYS 17 HD3 LYS 17 30.583 -0.716 -2.719 142 HE2 LYS 17 HE2 LYS 17 29.886 -0.614 -5.644 143 HE3 LYS 17 HE3 LYS 17 31.547 -0.697 -5.061 144 HZ1 LYS 17 HZ1 LYS 17 30.411 -2.870 -5.650 145 HZ2 LYS 17 HZ2 LYS 17 29.510 -2.673 -4.233 146 HZ3 LYS 17 HZ3 LYS 17 31.195 -2.803 -4.152 147 H ALA 18 H ALA 18 25.036 2.330 -3.654 148 HA ALA 18 HA ALA 18 24.551 1.182 -1.055 149 HB1 ALA 18 HB1 ALA 18 23.059 3.572 -2.006 150 HB2 ALA 18 HB2 ALA 18 23.775 3.238 -0.429 151 HB3 ALA 18 HB3 ALA 18 24.804 3.704 -1.783 152 H VAL 19 H VAL 19 22.675 1.813 -3.986 153 HA VAL 19 HA VAL 19 20.183 0.959 -2.914 154 HB VAL 19 HB VAL 19 20.415 2.420 -4.923 155 HG11 VAL 19 HG11 VAL 19 22.256 1.198 -5.995 156 HG12 VAL 19 HG12 VAL 19 21.163 -0.149 -6.317 157 HG13 VAL 19 HG13 VAL 19 20.886 1.415 -7.084 158 HG21 VAL 19 HG21 VAL 19 18.272 1.798 -5.015 159 HG22 VAL 19 HG22 VAL 19 18.772 0.674 -6.278 160 HG23 VAL 19 HG23 VAL 19 18.652 0.125 -4.607 161 H GLN 20 H GLN 20 22.861 -0.669 -4.451 162 HA GLN 20 HA GLN 20 21.607 -3.049 -5.210 163 HB2 GLN 20 HB2 GLN 20 24.390 -2.214 -4.614 164 HB3 GLN 20 HB3 GLN 20 24.063 -3.942 -4.587 165 HG2 GLN 20 HG2 GLN 20 23.402 -3.957 -6.845 166 HG3 GLN 20 HG3 GLN 20 23.290 -2.198 -6.903 167 HE21 GLN 20 HE21 GLN 20 24.648 -2.661 -8.844 168 HE22 GLN 20 HE22 GLN 20 26.361 -2.701 -8.623 169 H TRP 21 H TRP 21 22.751 -1.937 -2.099 170 HA TRP 21 HA TRP 21 22.748 -4.395 -0.737 171 HB2 TRP 21 HB2 TRP 21 23.740 -2.236 0.092 172 HB3 TRP 21 HB3 TRP 21 22.104 -1.693 0.454 173 HD1 TRP 21 HD1 TRP 21 24.415 -4.666 1.417 174 HE1 TRP 21 HE1 TRP 21 23.926 -5.281 3.868 175 HE3 TRP 21 HE3 TRP 21 20.622 -1.364 2.341 176 HZ2 TRP 21 HZ2 TRP 21 22.165 -4.473 5.921 177 HZ3 TRP 21 HZ3 TRP 21 19.589 -1.350 4.574 178 HH2 TRP 21 HH2 TRP 21 20.345 -2.873 6.325 179 H ALA 22 H ALA 22 20.214 -1.932 -1.102 180 HA ALA 22 HA ALA 22 18.269 -3.223 0.469 181 HB1 ALA 22 HB1 ALA 22 18.055 -0.890 -0.097 182 HB2 ALA 22 HB2 ALA 22 17.938 -1.281 -1.813 183 HB3 ALA 22 HB3 ALA 22 16.653 -1.769 -0.708 184 H TRP 23 H TRP 23 18.988 -3.383 -2.994 185 HA TRP 23 HA TRP 23 16.792 -5.075 -3.638 186 HB2 TRP 23 HB2 TRP 23 19.292 -4.221 -5.054 187 HB3 TRP 23 HB3 TRP 23 18.320 -5.532 -5.717 188 HD1 TRP 23 HD1 TRP 23 18.288 -1.761 -5.165 189 HE1 TRP 23 HE1 TRP 23 16.342 -0.741 -6.506 190 HE3 TRP 23 HE3 TRP 23 15.971 -6.073 -6.640 191 HZ2 TRP 23 HZ2 TRP 23 14.119 -1.644 -7.991 192 HZ3 TRP 23 HZ3 TRP 23 13.939 -5.907 -8.019 193 HH2 TRP 23 HH2 TRP 23 13.034 -3.738 -8.679 194 H ALA 24 H ALA 24 20.084 -5.622 -2.590 195 HA ALA 24 HA ALA 24 20.130 -8.412 -3.211 196 HB1 ALA 24 HB1 ALA 24 22.263 -7.605 -3.078 197 HB2 ALA 24 HB2 ALA 24 21.893 -6.534 -1.726 198 HB3 ALA 24 HB3 ALA 24 22.088 -8.265 -1.452 199 H ASN 25 H ASN 25 19.138 -6.491 -0.467 200 HA ASN 25 HA ASN 25 18.574 -8.954 1.043 201 HB2 ASN 25 HB2 ASN 25 19.104 -6.125 1.935 202 HB3 ASN 25 HB3 ASN 25 18.352 -7.307 3.003 203 HD21 ASN 25 HD21 ASN 25 21.222 -6.600 1.110 204 HD22 ASN 25 HD22 ASN 25 22.301 -7.583 2.034 205 H LYS 26 H LYS 26 16.542 -9.592 0.755 206 HA LYS 26 HA LYS 26 14.426 -7.542 0.673 207 HB2 LYS 26 HB2 LYS 26 13.083 -9.386 -0.475 208 HB3 LYS 26 HB3 LYS 26 14.375 -8.644 -1.408 209 HG2 LYS 26 HG2 LYS 26 15.009 -11.094 0.141 210 HG3 LYS 26 HG3 LYS 26 14.037 -11.259 -1.322 211 HD2 LYS 26 HD2 LYS 26 16.493 -9.595 -1.474 212 HD3 LYS 26 HD3 LYS 26 16.693 -11.346 -1.369 213 HE2 LYS 26 HE2 LYS 26 16.544 -11.137 -3.631 214 HE3 LYS 26 HE3 LYS 26 14.828 -11.291 -3.254 215 HZ1 LYS 26 HZ1 LYS 26 14.527 -8.977 -3.451 216 HZ2 LYS 26 HZ2 LYS 26 15.445 -9.432 -4.797 217 HZ3 LYS 26 HZ3 LYS 26 16.190 -8.670 -3.483 218 H GLY 27 H GLY 27 15.265 -8.207 3.147 219 HA2 GLY 27 HA2 GLY 27 12.898 -9.444 4.254 220 HA3 GLY 27 HA3 GLY 27 14.374 -10.361 4.516 221 H LYS 28 H LYS 28 16.189 -8.301 4.929 222 HA LYS 28 HA LYS 28 15.682 -7.687 7.657 223 HB2 LYS 28 HB2 LYS 28 17.948 -8.074 6.695 224 HB3 LYS 28 HB3 LYS 28 17.813 -6.542 5.842 225 HG2 LYS 28 HG2 LYS 28 18.982 -5.855 7.661 226 HG3 LYS 28 HG3 LYS 28 17.343 -5.636 8.280 227 HD2 LYS 28 HD2 LYS 28 18.749 -8.248 8.663 228 HD3 LYS 28 HD3 LYS 28 19.120 -6.885 9.721 229 HE2 LYS 28 HE2 LYS 28 16.516 -6.738 9.940 230 HE3 LYS 28 HE3 LYS 28 16.576 -8.419 9.412 231 HZ1 LYS 28 HZ1 LYS 28 16.658 -8.544 11.714 232 HZ2 LYS 28 HZ2 LYS 28 17.699 -7.219 11.864 233 HZ3 LYS 28 HZ3 LYS 28 18.284 -8.692 11.272 234 H ILE 29 H ILE 29 15.512 -5.841 4.662 235 HA ILE 29 HA ILE 29 14.850 -3.393 6.075 236 HB ILE 29 HB ILE 29 14.890 -3.928 3.103 237 HG12 ILE 29 HG12 ILE 29 16.983 -2.678 4.896 238 HG13 ILE 29 HG13 ILE 29 17.098 -4.257 4.126 239 HG21 ILE 29 HG21 ILE 29 14.124 -1.864 2.812 240 HG22 ILE 29 HG22 ILE 29 13.822 -1.784 4.547 241 HG23 ILE 29 HG23 ILE 29 15.352 -1.203 3.891 242 HD11 ILE 29 HD11 ILE 29 17.230 -1.543 2.881 243 HD12 ILE 29 HD12 ILE 29 18.377 -2.879 2.773 244 HD13 ILE 29 HD13 ILE 29 16.834 -2.971 1.924 245 H LEU 30 H LEU 30 13.260 -5.833 4.094 246 HA LEU 30 HA LEU 30 10.816 -4.587 3.659 247 HB2 LEU 30 HB2 LEU 30 11.692 -7.426 3.894 248 HB3 LEU 30 HB3 LEU 30 9.967 -7.070 3.827 249 HG LEU 30 HG LEU 30 10.919 -7.685 1.636 250 HD11 LEU 30 HD11 LEU 30 9.579 -6.246 0.504 251 HD12 LEU 30 HD12 LEU 30 10.215 -4.824 1.329 252 HD13 LEU 30 HD13 LEU 30 9.047 -5.866 2.142 253 HD21 LEU 30 HD21 LEU 30 13.150 -6.539 2.184 254 HD22 LEU 30 HD22 LEU 30 12.362 -5.055 1.648 255 HD23 LEU 30 HD23 LEU 30 12.537 -6.413 0.535 256 H ASP 31 H ASP 31 12.131 -5.961 6.552 257 HA ASP 31 HA ASP 31 9.643 -6.231 7.943 258 HB2 ASP 31 HB2 ASP 31 12.014 -7.323 8.392 259 HB3 ASP 31 HB3 ASP 31 12.226 -5.898 9.405 260 H TRP 32 H TRP 32 12.217 -3.802 7.858 261 HA TRP 32 HA TRP 32 11.300 -2.129 9.884 262 HB2 TRP 32 HB2 TRP 32 12.752 -1.423 7.325 263 HB3 TRP 32 HB3 TRP 32 12.538 -0.324 8.685 264 HD1 TRP 32 HD1 TRP 32 13.124 -2.784 10.863 265 HE1 TRP 32 HE1 TRP 32 15.592 -3.396 11.263 266 HE3 TRP 32 HE3 TRP 32 15.154 -0.791 6.615 267 HZ2 TRP 32 HZ2 TRP 32 18.071 -3.076 9.952 268 HZ3 TRP 32 HZ3 TRP 32 17.582 -0.986 6.265 269 HH2 TRP 32 HH2 TRP 32 19.009 -2.104 7.900 270 H LEU 33 H LEU 33 10.388 -2.279 6.474 271 HA LEU 33 HA LEU 33 8.876 0.017 6.245 272 HB2 LEU 33 HB2 LEU 33 8.402 -2.703 5.041 273 HB3 LEU 33 HB3 LEU 33 7.548 -1.242 4.546 274 HG LEU 33 HG LEU 33 10.539 -1.559 4.363 275 HD11 LEU 33 HD11 LEU 33 9.037 -3.177 2.980 276 HD12 LEU 33 HD12 LEU 33 10.372 -2.329 2.201 277 HD13 LEU 33 HD13 LEU 33 8.721 -1.742 2.004 278 HD21 LEU 33 HD21 LEU 33 8.594 0.556 3.744 279 HD22 LEU 33 HD22 LEU 33 9.785 0.237 2.483 280 HD23 LEU 33 HD23 LEU 33 10.316 0.665 4.111 281 H ASN 34 H ASN 34 7.990 -3.082 7.668 282 HA ASN 34 HA ASN 34 5.275 -2.204 8.186 283 HB2 ASN 34 HB2 ASN 34 6.674 -4.736 9.074 284 HB3 ASN 34 HB3 ASN 34 4.942 -4.423 9.134 285 HD21 ASN 34 HD21 ASN 34 7.343 -5.879 7.421 286 HD22 ASN 34 HD22 ASN 34 6.559 -6.014 5.888 287 H ALA 35 H ALA 35 8.308 -2.527 9.876 288 HA ALA 35 HA ALA 35 7.021 -1.803 12.413 289 HB1 ALA 35 HB1 ALA 35 9.866 -2.688 11.961 290 HB2 ALA 35 HB2 ALA 35 9.035 -2.516 13.507 291 HB3 ALA 35 HB3 ALA 35 8.536 -3.771 12.373 292 H GLY 36 H GLY 36 7.148 0.195 10.458 293 HA2 GLY 36 HA2 GLY 36 8.480 2.254 11.918 294 HA3 GLY 36 HA3 GLY 36 9.338 1.870 10.433 295 H GLN 37 H GLN 37 7.273 1.374 8.692 296 HA GLN 37 HA GLN 37 5.926 2.470 7.221 297 HB2 GLN 37 HB2 GLN 37 4.874 3.425 9.869 298 HB3 GLN 37 HB3 GLN 37 4.166 3.981 8.359 299 HG2 GLN 37 HG2 GLN 37 4.361 1.125 9.288 300 HG3 GLN 37 HG3 GLN 37 2.909 2.125 9.270 301 HE21 GLN 37 HE21 GLN 37 3.681 -0.429 7.901 302 HE22 GLN 37 HE22 GLN 37 3.339 -0.147 6.231 303 H ALA 38 H ALA 38 8.477 3.621 7.663 304 HA ALA 38 HA ALA 38 7.925 6.319 6.733 305 HB1 ALA 38 HB1 ALA 38 9.446 7.387 8.288 306 HB2 ALA 38 HB2 ALA 38 8.155 6.568 9.168 307 HB3 ALA 38 HB3 ALA 38 9.759 5.841 9.078 308 H ILE 39 H ILE 39 9.892 7.375 5.863 309 HA ILE 39 HA ILE 39 11.593 5.369 4.577 310 HB ILE 39 HB ILE 39 11.268 8.297 3.911 311 HG12 ILE 39 HG12 ILE 39 10.165 7.073 1.822 312 HG13 ILE 39 HG13 ILE 39 9.847 5.828 3.024 313 HG21 ILE 39 HG21 ILE 39 12.201 6.823 1.710 314 HG22 ILE 39 HG22 ILE 39 13.073 8.034 2.648 315 HG23 ILE 39 HG23 ILE 39 13.180 6.330 3.091 316 HD11 ILE 39 HD11 ILE 39 8.075 7.648 2.569 317 HD12 ILE 39 HD12 ILE 39 8.425 7.181 4.233 318 HD13 ILE 39 HD13 ILE 39 9.107 8.666 3.572 319 H ASP 40 H ASP 40 11.882 8.518 6.212 320 HA ASP 40 HA ASP 40 14.654 8.690 6.269 321 HB2 ASP 40 HB2 ASP 40 12.674 9.676 8.335 322 HB3 ASP 40 HB3 ASP 40 14.351 10.199 8.205 323 H TRP 41 H TRP 41 12.506 6.714 8.133 324 HA TRP 41 HA TRP 41 14.340 6.130 10.247 325 HB2 TRP 41 HB2 TRP 41 11.761 5.891 10.230 326 HB3 TRP 41 HB3 TRP 41 12.059 4.343 9.444 327 HD1 TRP 41 HD1 TRP 41 12.280 6.080 12.811 328 HE1 TRP 41 HE1 TRP 41 12.838 4.337 14.622 329 HE3 TRP 41 HE3 TRP 41 13.327 2.085 9.797 330 HZ2 TRP 41 HZ2 TRP 41 13.619 1.628 14.754 331 HZ3 TRP 41 HZ3 TRP 41 13.972 -0.046 10.845 332 HH2 TRP 41 HH2 TRP 41 14.115 -0.267 13.272 333 H VAL 42 H VAL 42 13.704 4.820 7.085 334 HA VAL 42 HA VAL 42 15.223 2.403 7.549 335 HB VAL 42 HB VAL 42 14.118 3.543 4.979 336 HG11 VAL 42 HG11 VAL 42 15.768 1.182 5.585 337 HG12 VAL 42 HG12 VAL 42 14.378 0.893 4.537 338 HG13 VAL 42 HG13 VAL 42 15.592 2.091 4.085 339 HG21 VAL 42 HG21 VAL 42 12.153 2.887 5.803 340 HG22 VAL 42 HG22 VAL 42 12.737 1.232 5.628 341 HG23 VAL 42 HG23 VAL 42 12.913 2.072 7.169 342 H VAL 43 H VAL 43 15.620 5.387 5.660 343 HA VAL 43 HA VAL 43 18.091 4.825 4.511 344 HB VAL 43 HB VAL 43 17.098 7.530 5.420 345 HG11 VAL 43 HG11 VAL 43 19.103 8.224 4.735 346 HG12 VAL 43 HG12 VAL 43 19.492 6.652 4.034 347 HG13 VAL 43 HG13 VAL 43 18.570 7.832 3.101 348 HG21 VAL 43 HG21 VAL 43 15.479 6.380 3.988 349 HG22 VAL 43 HG22 VAL 43 16.200 7.763 3.165 350 HG23 VAL 43 HG23 VAL 43 16.732 6.127 2.774 351 H SER 44 H SER 44 17.321 6.224 7.666 352 HA SER 44 HA SER 44 19.918 6.922 8.440 353 HB2 SER 44 HB2 SER 44 18.062 7.745 9.715 354 HB3 SER 44 HB3 SER 44 17.510 6.110 10.077 355 HG SER 44 HG SER 44 18.717 7.194 11.787 356 H LYS 45 H LYS 45 18.394 3.852 8.164 357 HA LYS 45 HA LYS 45 20.412 2.535 9.818 358 HB2 LYS 45 HB2 LYS 45 18.004 1.406 8.379 359 HB3 LYS 45 HB3 LYS 45 19.077 0.493 9.432 360 HG2 LYS 45 HG2 LYS 45 17.688 2.927 10.463 361 HG3 LYS 45 HG3 LYS 45 16.828 1.390 10.350 362 HD2 LYS 45 HD2 LYS 45 18.890 0.433 11.599 363 HD3 LYS 45 HD3 LYS 45 19.200 2.117 12.030 364 HE2 LYS 45 HE2 LYS 45 17.017 2.287 13.061 365 HE3 LYS 45 HE3 LYS 45 16.614 0.650 12.545 366 HZ1 LYS 45 HZ1 LYS 45 17.302 0.203 14.637 367 HZ2 LYS 45 HZ2 LYS 45 18.334 1.541 14.724 368 HZ3 LYS 45 HZ3 LYS 45 18.820 0.150 13.892 369 H ILE 46 H ILE 46 20.942 3.826 7.164 370 HA ILE 46 HA ILE 46 21.997 1.454 5.767 371 HB ILE 46 HB ILE 46 21.272 4.127 4.561 372 HG12 ILE 46 HG12 ILE 46 19.945 1.419 4.306 373 HG13 ILE 46 HG13 ILE 46 19.299 2.803 5.181 374 HG21 ILE 46 HG21 ILE 46 22.273 1.593 3.269 375 HG22 ILE 46 HG22 ILE 46 21.741 3.040 2.414 376 HG23 ILE 46 HG23 ILE 46 23.172 3.101 3.443 377 HD11 ILE 46 HD11 ILE 46 19.714 2.551 2.216 378 HD12 ILE 46 HD12 ILE 46 18.184 2.657 3.087 379 HD13 ILE 46 HD13 ILE 46 19.263 4.051 3.027 380 H LYS 47 H LYS 47 22.676 4.592 7.094 381 HA LYS 47 HA LYS 47 25.304 4.820 5.960 382 HB2 LYS 47 HB2 LYS 47 23.830 6.316 8.120 383 HB3 LYS 47 HB3 LYS 47 25.515 6.651 7.744 384 HG2 LYS 47 HG2 LYS 47 24.549 8.198 6.408 385 HG3 LYS 47 HG3 LYS 47 24.529 6.835 5.286 386 HD2 LYS 47 HD2 LYS 47 22.353 7.516 5.112 387 HD3 LYS 47 HD3 LYS 47 22.201 6.369 6.446 388 HE2 LYS 47 HE2 LYS 47 21.022 8.307 7.108 389 HE3 LYS 47 HE3 LYS 47 22.541 8.330 8.002 390 HZ1 LYS 47 HZ1 LYS 47 21.885 10.498 7.013 391 HZ2 LYS 47 HZ2 LYS 47 22.103 9.824 5.477 392 HZ3 LYS 47 HZ3 LYS 47 23.416 9.959 6.535 393 H GLN 48 H GLN 48 23.916 3.349 8.766 394 HA GLN 48 HA GLN 48 26.465 3.103 10.134 395 HB2 GLN 48 HB2 GLN 48 25.145 1.856 11.832 396 HB3 GLN 48 HB3 GLN 48 24.523 3.470 11.514 397 HG2 GLN 48 HG2 GLN 48 22.702 2.631 10.273 398 HG3 GLN 48 HG3 GLN 48 23.409 1.019 10.188 399 HE21 GLN 48 HE21 GLN 48 21.706 -0.034 11.120 400 HE22 GLN 48 HE22 GLN 48 21.261 0.158 12.778 401 H ILE 49 H ILE 49 24.436 1.255 8.023 402 HA ILE 49 HA ILE 49 25.662 -1.281 8.621 403 HB ILE 49 HB ILE 49 23.922 -0.511 6.275 404 HG12 ILE 49 HG12 ILE 49 22.753 -0.169 8.389 405 HG13 ILE 49 HG13 ILE 49 22.102 -1.579 7.561 406 HG21 ILE 49 HG21 ILE 49 23.674 -3.238 6.940 407 HG22 ILE 49 HG22 ILE 49 24.368 -2.533 5.481 408 HG23 ILE 49 HG23 ILE 49 25.399 -2.882 6.868 409 HD11 ILE 49 HD11 ILE 49 22.259 -2.261 9.766 410 HD12 ILE 49 HD12 ILE 49 23.724 -2.919 9.037 411 HD13 ILE 49 HD13 ILE 49 23.806 -1.451 10.011 412 H LEU 50 H LEU 50 25.445 0.429 5.503 413 HA LEU 50 HA LEU 50 27.794 -0.841 4.504 414 HB2 LEU 50 HB2 LEU 50 26.240 1.521 3.458 415 HB3 LEU 50 HB3 LEU 50 27.514 0.677 2.578 416 HG LEU 50 HG LEU 50 24.945 -0.624 3.471 417 HD11 LEU 50 HD11 LEU 50 24.941 -0.406 0.705 418 HD12 LEU 50 HD12 LEU 50 25.463 1.180 1.273 419 HD13 LEU 50 HD13 LEU 50 23.938 0.498 1.839 420 HD21 LEU 50 HD21 LEU 50 26.608 -2.266 3.139 421 HD22 LEU 50 HD22 LEU 50 27.222 -1.463 1.693 422 HD23 LEU 50 HD23 LEU 50 25.644 -2.252 1.663 423 H GLY 51 H GLY 51 27.069 2.551 5.347 424 HA2 GLY 51 HA2 GLY 51 28.745 3.680 6.777 425 HA3 GLY 51 HA3 GLY 51 29.971 2.934 5.763 426 H ILE 52 H ILE 52 27.145 4.069 4.179 427 HA ILE 52 HA ILE 52 28.625 5.893 2.584 428 HB ILE 52 HB ILE 52 26.594 4.679 1.800 429 HG12 ILE 52 HG12 ILE 52 25.908 7.545 1.450 430 HG13 ILE 52 HG13 ILE 52 27.544 7.070 1.010 431 HG21 ILE 52 HG21 ILE 52 24.791 6.703 2.947 432 HG22 ILE 52 HG22 ILE 52 24.533 4.984 2.658 433 HG23 ILE 52 HG23 ILE 52 25.426 5.513 4.083 434 HD11 ILE 52 HD11 ILE 52 24.947 6.162 -0.162 435 HD12 ILE 52 HD12 ILE 52 26.341 6.883 -0.966 436 HD13 ILE 52 HD13 ILE 52 26.427 5.226 -0.369 437 H LYS 53 H LYS 53 28.662 8.114 2.564 438 HA LYS 53 HA LYS 53 27.795 9.404 5.052 439 HB2 LYS 53 HB2 LYS 53 29.831 10.188 2.965 440 HB3 LYS 53 HB3 LYS 53 29.336 11.257 4.271 441 HG2 LYS 53 HG2 LYS 53 30.080 9.524 5.890 442 HG3 LYS 53 HG3 LYS 53 30.708 8.591 4.530 443 HD2 LYS 53 HD2 LYS 53 32.254 10.339 3.969 444 HD3 LYS 53 HD3 LYS 53 31.532 11.423 5.160 445 HE2 LYS 53 HE2 LYS 53 33.649 10.427 5.938 446 HE3 LYS 53 HE3 LYS 53 32.280 10.000 6.964 447 HZ1 LYS 53 HZ1 LYS 53 33.348 8.253 4.816 448 HZ2 LYS 53 HZ2 LYS 53 32.180 7.850 5.971 449 HZ3 LYS 53 HZ3 LYS 53 33.781 8.119 6.446 Start of MODEL 8 1 H1 MET 1 H MET 1 2.357 -2.903 0.726 2 HA MET 1 HA MET 1 1.687 -1.613 -1.837 3 HB2 MET 1 HB2 MET 1 2.645 0.472 -0.959 4 HB3 MET 1 HB3 MET 1 1.277 -0.067 0.005 5 HG2 MET 1 HG2 MET 1 4.000 -0.886 0.855 6 HG3 MET 1 HG3 MET 1 3.509 0.788 1.108 7 HE1 MET 1 HE1 MET 1 3.430 -1.190 4.477 8 HE2 MET 1 HE2 MET 1 4.474 -0.434 3.274 9 HE3 MET 1 HE3 MET 1 3.319 0.545 4.180 10 H ALA 2 H ALA 2 3.744 -0.338 -2.629 11 HA ALA 2 HA ALA 2 5.958 -2.273 -2.589 12 HB1 ALA 2 HB1 ALA 2 6.640 -1.028 -4.714 13 HB2 ALA 2 HB2 ALA 2 5.206 -2.052 -4.795 14 HB3 ALA 2 HB3 ALA 2 5.034 -0.302 -4.655 15 H GLY 3 H GLY 3 5.864 -0.628 -0.405 16 HA2 GLY 3 HA2 GLY 3 7.104 1.838 -0.512 17 HA3 GLY 3 HA3 GLY 3 7.253 0.718 0.834 18 H PHE 4 H PHE 4 8.524 -1.323 -0.904 19 HA PHE 4 HA PHE 4 11.195 -0.748 -0.373 20 HB2 PHE 4 HB2 PHE 4 10.362 -3.026 -0.751 21 HB3 PHE 4 HB3 PHE 4 10.068 -2.643 -2.444 22 HD1 PHE 4 HD2 PHE 4 11.988 -2.198 -3.954 23 HD2 PHE 4 HD1 PHE 4 12.510 -3.626 0.021 24 HE1 PHE 4 HE2 PHE 4 14.279 -2.901 -4.511 25 HE2 PHE 4 HE1 PHE 4 14.803 -4.330 -0.529 26 HZ PHE 4 HZ PHE 4 15.690 -3.970 -2.798 27 H LEU 5 H LEU 5 9.607 -0.793 -3.569 28 HA LEU 5 HA LEU 5 11.725 0.230 -5.042 29 HB2 LEU 5 HB2 LEU 5 8.753 0.339 -5.413 30 HB3 LEU 5 HB3 LEU 5 9.841 1.113 -6.563 31 HG LEU 5 HG LEU 5 9.207 -1.024 -7.431 32 HD11 LEU 5 HD11 LEU 5 11.335 -1.990 -7.829 33 HD12 LEU 5 HD12 LEU 5 11.985 -1.347 -6.322 34 HD13 LEU 5 HD13 LEU 5 11.589 -0.254 -7.648 35 HD21 LEU 5 HD21 LEU 5 10.427 -2.505 -5.157 36 HD22 LEU 5 HD22 LEU 5 9.157 -2.998 -6.278 37 HD23 LEU 5 HD23 LEU 5 8.791 -1.872 -4.971 38 H LYS 6 H LYS 6 9.516 1.838 -2.913 39 HA LYS 6 HA LYS 6 10.010 4.486 -3.898 40 HB2 LYS 6 HB2 LYS 6 8.956 3.771 -1.166 41 HB3 LYS 6 HB3 LYS 6 8.679 5.247 -2.081 42 HG2 LYS 6 HG2 LYS 6 7.604 3.555 -3.802 43 HG3 LYS 6 HG3 LYS 6 7.407 2.579 -2.344 44 HD2 LYS 6 HD2 LYS 6 5.449 3.759 -2.292 45 HD3 LYS 6 HD3 LYS 6 6.482 4.855 -1.371 46 HE2 LYS 6 HE2 LYS 6 6.928 6.116 -3.450 47 HE3 LYS 6 HE3 LYS 6 5.809 5.056 -4.305 48 HZ1 LYS 6 HZ1 LYS 6 4.264 5.850 -2.310 49 HZ2 LYS 6 HZ2 LYS 6 4.369 6.689 -3.775 50 HZ3 LYS 6 HZ3 LYS 6 5.257 7.214 -2.434 51 H VAL 7 H VAL 7 10.951 2.778 -0.911 52 HA VAL 7 HA VAL 7 12.680 4.760 0.056 53 HB VAL 7 HB VAL 7 13.683 2.977 1.445 54 HG11 VAL 7 HG11 VAL 7 10.677 3.024 1.246 55 HG12 VAL 7 HG12 VAL 7 11.564 2.293 2.585 56 HG13 VAL 7 HG13 VAL 7 11.703 4.024 2.274 57 HG21 VAL 7 HG21 VAL 7 13.588 1.202 -0.284 58 HG22 VAL 7 HG22 VAL 7 12.939 0.692 1.274 59 HG23 VAL 7 HG23 VAL 7 11.843 1.108 -0.044 60 H VAL 8 H VAL 8 13.081 2.424 -2.447 61 HA VAL 8 HA VAL 8 15.973 2.537 -2.436 62 HB VAL 8 HB VAL 8 14.065 1.315 -4.435 63 HG11 VAL 8 HG11 VAL 8 15.880 1.423 -5.767 64 HG12 VAL 8 HG12 VAL 8 16.991 1.651 -4.415 65 HG13 VAL 8 HG13 VAL 8 16.409 0.035 -4.818 66 HG21 VAL 8 HG21 VAL 8 13.933 -0.438 -3.079 67 HG22 VAL 8 HG22 VAL 8 15.691 -0.557 -3.002 68 HG23 VAL 8 HG23 VAL 8 14.826 0.473 -1.861 69 H GLN 9 H GLN 9 13.324 4.128 -4.027 70 HA GLN 9 HA GLN 9 14.649 5.141 -6.278 71 HB2 GLN 9 HB2 GLN 9 12.260 6.032 -4.700 72 HB3 GLN 9 HB3 GLN 9 12.881 7.038 -6.003 73 HG2 GLN 9 HG2 GLN 9 12.670 4.378 -6.966 74 HG3 GLN 9 HG3 GLN 9 11.159 4.798 -6.160 75 HE21 GLN 9 HE21 GLN 9 13.205 5.348 -8.864 76 HE22 GLN 9 HE22 GLN 9 12.157 6.422 -9.720 77 H LEU 10 H LEU 10 14.823 6.018 -2.947 78 HA LEU 10 HA LEU 10 15.908 8.647 -3.405 79 HB2 LEU 10 HB2 LEU 10 15.961 7.009 -0.877 80 HB3 LEU 10 HB3 LEU 10 16.204 8.749 -1.021 81 HG LEU 10 HG LEU 10 13.630 7.231 -1.426 82 HD11 LEU 10 HD11 LEU 10 14.666 9.100 0.680 83 HD12 LEU 10 HD12 LEU 10 13.984 7.485 0.872 84 HD13 LEU 10 HD13 LEU 10 12.939 8.836 0.434 85 HD21 LEU 10 HD21 LEU 10 12.960 8.883 -2.748 86 HD22 LEU 10 HD22 LEU 10 14.485 9.742 -2.528 87 HD23 LEU 10 HD23 LEU 10 13.158 9.994 -1.393 88 H LEU 11 H LEU 11 17.131 5.419 -2.978 89 HA LEU 11 HA LEU 11 19.785 6.050 -2.268 90 HB2 LEU 11 HB2 LEU 11 18.429 3.682 -3.472 91 HB3 LEU 11 HB3 LEU 11 20.190 3.745 -3.446 92 HG LEU 11 HG LEU 11 19.360 2.453 -1.574 93 HD11 LEU 11 HD11 LEU 11 20.184 4.916 -0.175 94 HD12 LEU 11 HD12 LEU 11 21.264 4.338 -1.444 95 HD13 LEU 11 HD13 LEU 11 20.847 3.283 -0.094 96 HD21 LEU 11 HD21 LEU 11 17.219 4.085 -1.558 97 HD22 LEU 11 HD22 LEU 11 18.139 4.769 -0.218 98 HD23 LEU 11 HD23 LEU 11 17.682 3.065 -0.196 99 H ALA 12 H ALA 12 18.080 6.360 -5.211 100 HA ALA 12 HA ALA 12 19.989 5.984 -7.164 101 HB1 ALA 12 HB1 ALA 12 18.656 7.251 -8.580 102 HB2 ALA 12 HB2 ALA 12 17.513 6.684 -7.362 103 HB3 ALA 12 HB3 ALA 12 18.136 8.333 -7.288 104 H LYS 13 H LYS 13 19.348 8.978 -5.341 105 HA LYS 13 HA LYS 13 21.402 10.501 -6.506 106 HB2 LYS 13 HB2 LYS 13 21.046 12.073 -4.744 107 HB3 LYS 13 HB3 LYS 13 19.480 11.382 -5.148 108 HG2 LYS 13 HG2 LYS 13 19.318 11.223 -2.906 109 HG3 LYS 13 HG3 LYS 13 20.185 9.712 -3.186 110 HD2 LYS 13 HD2 LYS 13 21.488 10.622 -1.537 111 HD3 LYS 13 HD3 LYS 13 22.295 11.279 -2.962 112 HE2 LYS 13 HE2 LYS 13 20.075 12.919 -1.997 113 HE3 LYS 13 HE3 LYS 13 21.384 12.738 -0.829 114 HZ1 LYS 13 HZ1 LYS 13 21.296 14.398 -3.072 115 HZ2 LYS 13 HZ2 LYS 13 22.496 13.240 -3.353 116 HZ3 LYS 13 HZ3 LYS 13 22.562 14.206 -1.966 117 H TYR 14 H TYR 14 21.396 8.211 -3.865 118 HA TYR 14 HA TYR 14 23.931 8.908 -2.794 119 HB2 TYR 14 HB2 TYR 14 22.036 6.632 -2.500 120 HB3 TYR 14 HB3 TYR 14 23.704 6.365 -2.007 121 HD1 TYR 14 HD2 TYR 14 24.705 8.246 -0.444 122 HD2 TYR 14 HD1 TYR 14 20.549 7.485 -0.949 123 HE1 TYR 14 HE2 TYR 14 24.249 9.341 1.710 124 HE2 TYR 14 HE1 TYR 14 20.081 8.579 1.204 125 HH TYR 14 HH TYR 14 20.956 9.902 2.826 126 H GLY 15 H GLY 15 22.900 6.953 -5.472 127 HA2 GLY 15 HA2 GLY 15 24.689 6.707 -7.199 128 HA3 GLY 15 HA3 GLY 15 25.704 6.114 -5.892 129 H SER 16 H SER 16 25.944 4.281 -7.419 130 HA SER 16 HA SER 16 23.652 2.440 -7.328 131 HB2 SER 16 HB2 SER 16 26.097 2.433 -9.115 132 HB3 SER 16 HB3 SER 16 24.824 1.212 -9.147 133 HG SER 16 HG SER 16 24.881 3.543 -10.402 134 H LYS 17 H LYS 17 25.403 2.917 -5.070 135 HA LYS 17 HA LYS 17 26.683 0.272 -4.843 136 HB2 LYS 17 HB2 LYS 17 28.039 2.525 -4.645 137 HB3 LYS 17 HB3 LYS 17 27.385 2.530 -3.013 138 HG2 LYS 17 HG2 LYS 17 28.735 0.078 -4.036 139 HG3 LYS 17 HG3 LYS 17 29.707 1.455 -3.510 140 HD2 LYS 17 HD2 LYS 17 27.518 0.411 -1.759 141 HD3 LYS 17 HD3 LYS 17 29.078 -0.413 -1.806 142 HE2 LYS 17 HE2 LYS 17 28.806 2.541 -1.302 143 HE3 LYS 17 HE3 LYS 17 28.781 1.346 -0.005 144 HZ1 LYS 17 HZ1 LYS 17 31.001 1.837 -1.914 145 HZ2 LYS 17 HZ2 LYS 17 30.976 0.583 -0.780 146 HZ3 LYS 17 HZ3 LYS 17 30.992 2.193 -0.260 147 H ALA 18 H ALA 18 24.706 2.695 -3.213 148 HA ALA 18 HA ALA 18 24.220 0.950 -0.948 149 HB1 ALA 18 HB1 ALA 18 23.144 3.682 -1.632 150 HB2 ALA 18 HB2 ALA 18 22.789 2.805 -0.143 151 HB3 ALA 18 HB3 ALA 18 24.442 3.304 -0.500 152 H VAL 19 H VAL 19 22.727 1.786 -3.955 153 HA VAL 19 HA VAL 19 20.081 0.944 -3.278 154 HB VAL 19 HB VAL 19 20.538 2.511 -5.135 155 HG11 VAL 19 HG11 VAL 19 22.583 1.052 -5.857 156 HG12 VAL 19 HG12 VAL 19 21.385 0.222 -6.852 157 HG13 VAL 19 HG13 VAL 19 21.663 1.951 -7.063 158 HG21 VAL 19 HG21 VAL 19 18.600 1.898 -6.045 159 HG22 VAL 19 HG22 VAL 19 19.291 0.408 -6.687 160 HG23 VAL 19 HG23 VAL 19 18.677 0.455 -5.034 161 H GLN 20 H GLN 20 22.964 -0.646 -4.355 162 HA GLN 20 HA GLN 20 21.761 -2.984 -5.418 163 HB2 GLN 20 HB2 GLN 20 24.192 -2.107 -5.667 164 HB3 GLN 20 HB3 GLN 20 24.485 -2.955 -4.154 165 HG2 GLN 20 HG2 GLN 20 23.171 -4.425 -6.378 166 HG3 GLN 20 HG3 GLN 20 24.902 -4.105 -6.475 167 HE21 GLN 20 HE21 GLN 20 26.073 -4.615 -4.345 168 HE22 GLN 20 HE22 GLN 20 25.674 -6.131 -3.620 169 H TRP 21 H TRP 21 23.018 -2.148 -2.215 170 HA TRP 21 HA TRP 21 22.834 -4.600 -0.961 171 HB2 TRP 21 HB2 TRP 21 23.774 -2.515 0.041 172 HB3 TRP 21 HB3 TRP 21 22.128 -1.936 0.286 173 HD1 TRP 21 HD1 TRP 21 24.173 -5.092 1.288 174 HE1 TRP 21 HE1 TRP 21 23.508 -5.724 3.693 175 HE3 TRP 21 HE3 TRP 21 20.646 -1.488 2.130 176 HZ2 TRP 21 HZ2 TRP 21 21.724 -4.816 5.683 177 HZ3 TRP 21 HZ3 TRP 21 19.506 -1.439 4.310 178 HH2 TRP 21 HH2 TRP 21 20.035 -3.070 6.048 179 H ALA 22 H ALA 22 20.318 -2.067 -0.957 180 HA ALA 22 HA ALA 22 18.319 -3.471 0.323 181 HB1 ALA 22 HB1 ALA 22 18.179 -1.087 -0.212 182 HB2 ALA 22 HB2 ALA 22 17.971 -1.483 -1.918 183 HB3 ALA 22 HB3 ALA 22 16.740 -1.956 -0.747 184 H TRP 23 H TRP 23 19.028 -3.374 -3.158 185 HA TRP 23 HA TRP 23 16.910 -5.052 -3.955 186 HB2 TRP 23 HB2 TRP 23 19.436 -4.075 -5.186 187 HB3 TRP 23 HB3 TRP 23 18.678 -5.487 -5.918 188 HD1 TRP 23 HD1 TRP 23 18.608 -1.825 -6.072 189 HE1 TRP 23 HE1 TRP 23 16.533 -0.995 -7.349 190 HE3 TRP 23 HE3 TRP 23 15.913 -6.168 -6.149 191 HZ2 TRP 23 HZ2 TRP 23 14.078 -2.044 -8.266 192 HZ3 TRP 23 HZ3 TRP 23 13.711 -6.171 -7.245 193 HH2 TRP 23 HH2 TRP 23 12.813 -4.150 -8.281 194 H ALA 24 H ALA 24 20.043 -5.712 -2.612 195 HA ALA 24 HA ALA 24 20.062 -8.494 -3.366 196 HB1 ALA 24 HB1 ALA 24 22.229 -8.075 -3.059 197 HB2 ALA 24 HB2 ALA 24 21.896 -6.627 -2.109 198 HB3 ALA 24 HB3 ALA 24 21.903 -8.209 -1.331 199 H ASN 25 H ASN 25 20.123 -6.939 -0.153 200 HA ASN 25 HA ASN 25 19.291 -9.225 1.245 201 HB2 ASN 25 HB2 ASN 25 19.365 -6.296 1.895 202 HB3 ASN 25 HB3 ASN 25 18.607 -7.427 3.013 203 HD21 ASN 25 HD21 ASN 25 21.580 -7.101 1.103 204 HD22 ASN 25 HD22 ASN 25 22.638 -7.687 2.336 205 H LYS 26 H LYS 26 17.427 -10.241 0.917 206 HA LYS 26 HA LYS 26 14.990 -8.625 0.557 207 HB2 LYS 26 HB2 LYS 26 15.742 -11.354 -0.469 208 HB3 LYS 26 HB3 LYS 26 14.069 -10.813 -0.422 209 HG2 LYS 26 HG2 LYS 26 14.888 -8.787 -1.758 210 HG3 LYS 26 HG3 LYS 26 16.342 -9.744 -2.054 211 HD2 LYS 26 HD2 LYS 26 15.235 -11.270 -3.358 212 HD3 LYS 26 HD3 LYS 26 13.690 -11.005 -2.547 213 HE2 LYS 26 HE2 LYS 26 13.516 -10.106 -4.750 214 HE3 LYS 26 HE3 LYS 26 13.604 -8.752 -3.625 215 HZ1 LYS 26 HZ1 LYS 26 15.644 -8.145 -4.368 216 HZ2 LYS 26 HZ2 LYS 26 15.071 -8.855 -5.792 217 HZ3 LYS 26 HZ3 LYS 26 16.110 -9.720 -4.775 218 H GLY 27 H GLY 27 13.573 -8.648 2.170 219 HA2 GLY 27 HA2 GLY 27 12.146 -9.775 3.707 220 HA3 GLY 27 HA3 GLY 27 13.342 -11.057 3.832 221 H LYS 28 H LYS 28 14.425 -7.781 3.968 222 HA LYS 28 HA LYS 28 14.649 -7.961 6.899 223 HB2 LYS 28 HB2 LYS 28 16.788 -8.369 5.403 224 HB3 LYS 28 HB3 LYS 28 16.791 -6.613 5.310 225 HG2 LYS 28 HG2 LYS 28 18.034 -6.751 7.165 226 HG3 LYS 28 HG3 LYS 28 16.482 -6.979 7.974 227 HD2 LYS 28 HD2 LYS 28 18.117 -9.268 6.904 228 HD3 LYS 28 HD3 LYS 28 18.301 -8.647 8.546 229 HE2 LYS 28 HE2 LYS 28 15.745 -9.710 7.345 230 HE3 LYS 28 HE3 LYS 28 16.800 -10.590 8.450 231 HZ1 LYS 28 HZ1 LYS 28 15.243 -8.134 9.033 232 HZ2 LYS 28 HZ2 LYS 28 16.407 -8.773 10.080 233 HZ3 LYS 28 HZ3 LYS 28 15.023 -9.671 9.705 234 H ILE 29 H ILE 29 15.052 -5.702 4.168 235 HA ILE 29 HA ILE 29 14.545 -3.386 5.729 236 HB ILE 29 HB ILE 29 14.344 -3.740 2.736 237 HG12 ILE 29 HG12 ILE 29 16.620 -2.747 4.465 238 HG13 ILE 29 HG13 ILE 29 16.569 -4.290 3.620 239 HG21 ILE 29 HG21 ILE 29 13.632 -1.643 2.637 240 HG22 ILE 29 HG22 ILE 29 13.617 -1.562 4.398 241 HG23 ILE 29 HG23 ILE 29 15.069 -1.106 3.508 242 HD11 ILE 29 HD11 ILE 29 16.359 -2.961 1.485 243 HD12 ILE 29 HD12 ILE 29 16.764 -1.538 2.446 244 HD13 ILE 29 HD13 ILE 29 17.911 -2.871 2.318 245 H LEU 30 H LEU 30 12.523 -5.480 3.749 246 HA LEU 30 HA LEU 30 10.231 -3.949 3.542 247 HB2 LEU 30 HB2 LEU 30 10.715 -6.893 3.729 248 HB3 LEU 30 HB3 LEU 30 9.066 -6.273 3.698 249 HG LEU 30 HG LEU 30 9.749 -6.982 1.485 250 HD11 LEU 30 HD11 LEU 30 9.105 -5.058 0.275 251 HD12 LEU 30 HD12 LEU 30 9.727 -3.975 1.520 252 HD13 LEU 30 HD13 LEU 30 8.293 -4.952 1.837 253 HD21 LEU 30 HD21 LEU 30 12.212 -6.532 1.947 254 HD22 LEU 30 HD22 LEU 30 11.872 -4.855 1.518 255 HD23 LEU 30 HD23 LEU 30 11.616 -6.138 0.334 256 H ASP 31 H ASP 31 11.524 -5.631 6.300 257 HA ASP 31 HA ASP 31 9.164 -5.636 7.877 258 HB2 ASP 31 HB2 ASP 31 12.093 -5.894 8.527 259 HB3 ASP 31 HB3 ASP 31 10.868 -5.869 9.792 260 H TRP 32 H TRP 32 11.887 -3.397 7.582 261 HA TRP 32 HA TRP 32 11.236 -1.668 9.671 262 HB2 TRP 32 HB2 TRP 32 12.602 -1.115 7.032 263 HB3 TRP 32 HB3 TRP 32 12.512 0.049 8.350 264 HD1 TRP 32 HD1 TRP 32 13.037 -2.331 10.618 265 HE1 TRP 32 HE1 TRP 32 15.474 -3.091 10.947 266 HE3 TRP 32 HE3 TRP 32 15.002 -0.696 6.191 267 HZ2 TRP 32 HZ2 TRP 32 17.908 -3.008 9.519 268 HZ3 TRP 32 HZ3 TRP 32 17.393 -1.075 5.750 269 HH2 TRP 32 HH2 TRP 32 18.814 -2.206 7.381 270 H LEU 33 H LEU 33 10.080 -1.773 6.340 271 HA LEU 33 HA LEU 33 8.753 0.640 6.172 272 HB2 LEU 33 HB2 LEU 33 8.119 -2.061 5.027 273 HB3 LEU 33 HB3 LEU 33 7.136 -0.644 4.666 274 HG LEU 33 HG LEU 33 10.091 -0.783 4.102 275 HD11 LEU 33 HD11 LEU 33 9.745 -1.945 2.241 276 HD12 LEU 33 HD12 LEU 33 8.375 -0.934 1.784 277 HD13 LEU 33 HD13 LEU 33 8.133 -2.312 2.858 278 HD21 LEU 33 HD21 LEU 33 7.874 1.050 3.201 279 HD22 LEU 33 HD22 LEU 33 9.502 1.049 2.523 280 HD23 LEU 33 HD23 LEU 33 9.253 1.460 4.220 281 H ASN 34 H ASN 34 7.870 -2.241 7.924 282 HA ASN 34 HA ASN 34 5.231 -1.158 8.558 283 HB2 ASN 34 HB2 ASN 34 6.467 -3.803 9.355 284 HB3 ASN 34 HB3 ASN 34 4.787 -3.329 9.584 285 HD21 ASN 34 HD21 ASN 34 7.214 -4.273 7.282 286 HD22 ASN 34 HD22 ASN 34 6.130 -4.630 5.983 287 H ALA 35 H ALA 35 8.249 -2.107 10.142 288 HA ALA 35 HA ALA 35 7.293 -1.169 12.721 289 HB1 ALA 35 HB1 ALA 35 10.118 -1.997 12.245 290 HB2 ALA 35 HB2 ALA 35 9.097 -2.233 13.665 291 HB3 ALA 35 HB3 ALA 35 8.844 -3.216 12.222 292 H GLY 36 H GLY 36 7.000 1.058 11.909 293 HA2 GLY 36 HA2 GLY 36 8.524 2.962 12.893 294 HA3 GLY 36 HA3 GLY 36 9.484 2.548 11.480 295 H GLN 37 H GLN 37 7.411 2.060 9.653 296 HA GLN 37 HA GLN 37 6.229 3.199 8.074 297 HB2 GLN 37 HB2 GLN 37 5.096 4.270 10.643 298 HB3 GLN 37 HB3 GLN 37 4.498 4.830 9.088 299 HG2 GLN 37 HG2 GLN 37 4.567 1.940 9.913 300 HG3 GLN 37 HG3 GLN 37 3.172 2.996 10.127 301 HE21 GLN 37 HE21 GLN 37 2.308 4.009 8.165 302 HE22 GLN 37 HE22 GLN 37 2.352 3.115 6.688 303 H ALA 38 H ALA 38 8.820 4.245 8.710 304 HA ALA 38 HA ALA 38 8.422 6.990 7.770 305 HB1 ALA 38 HB1 ALA 38 10.631 7.258 9.380 306 HB2 ALA 38 HB2 ALA 38 8.996 7.791 9.773 307 HB3 ALA 38 HB3 ALA 38 9.570 6.221 10.334 308 H ILE 39 H ILE 39 10.464 7.930 6.890 309 HA ILE 39 HA ILE 39 11.971 5.834 5.490 310 HB ILE 39 HB ILE 39 11.721 8.760 4.788 311 HG12 ILE 39 HG12 ILE 39 10.457 7.538 2.785 312 HG13 ILE 39 HG13 ILE 39 10.147 6.342 4.040 313 HG21 ILE 39 HG21 ILE 39 13.004 6.431 3.379 314 HG22 ILE 39 HG22 ILE 39 12.634 7.962 2.588 315 HG23 ILE 39 HG23 ILE 39 13.772 7.918 3.934 316 HD11 ILE 39 HD11 ILE 39 8.730 8.691 3.528 317 HD12 ILE 39 HD12 ILE 39 8.530 7.585 4.888 318 HD13 ILE 39 HD13 ILE 39 9.605 8.975 5.032 319 H ASP 40 H ASP 40 12.463 9.012 7.020 320 HA ASP 40 HA ASP 40 15.242 9.055 6.947 321 HB2 ASP 40 HB2 ASP 40 13.240 10.292 8.821 322 HB3 ASP 40 HB3 ASP 40 14.970 10.523 9.056 323 H TRP 41 H TRP 41 13.064 7.389 9.108 324 HA TRP 41 HA TRP 41 14.992 6.755 11.103 325 HB2 TRP 41 HB2 TRP 41 12.506 6.724 11.442 326 HB3 TRP 41 HB3 TRP 41 12.442 5.261 10.463 327 HD1 TRP 41 HD1 TRP 41 13.414 6.509 13.923 328 HE1 TRP 41 HE1 TRP 41 13.859 4.483 15.447 329 HE3 TRP 41 HE3 TRP 41 13.261 2.799 10.408 330 HZ2 TRP 41 HZ2 TRP 41 14.112 1.683 15.193 331 HZ3 TRP 41 HZ3 TRP 41 13.615 0.474 11.131 332 HH2 TRP 41 HH2 TRP 41 14.032 -0.070 13.475 333 H VAL 42 H VAL 42 14.135 5.379 8.039 334 HA VAL 42 HA VAL 42 15.469 2.860 8.554 335 HB VAL 42 HB VAL 42 14.341 3.974 5.981 336 HG11 VAL 42 HG11 VAL 42 15.738 1.446 6.661 337 HG12 VAL 42 HG12 VAL 42 14.366 1.353 5.556 338 HG13 VAL 42 HG13 VAL 42 15.746 2.379 5.165 339 HG21 VAL 42 HG21 VAL 42 12.985 1.698 7.159 340 HG22 VAL 42 HG22 VAL 42 12.990 3.095 8.235 341 HG23 VAL 42 HG23 VAL 42 12.330 3.239 6.606 342 H VAL 43 H VAL 43 15.991 5.684 6.451 343 HA VAL 43 HA VAL 43 18.364 4.887 5.256 344 HB VAL 43 HB VAL 43 17.598 7.701 6.047 345 HG11 VAL 43 HG11 VAL 43 19.754 8.011 5.398 346 HG12 VAL 43 HG12 VAL 43 19.779 6.559 4.396 347 HG13 VAL 43 HG13 VAL 43 18.995 8.025 3.806 348 HG21 VAL 43 HG21 VAL 43 15.871 6.563 4.716 349 HG22 VAL 43 HG22 VAL 43 16.631 7.883 3.827 350 HG23 VAL 43 HG23 VAL 43 17.075 6.213 3.475 351 H SER 44 H SER 44 17.791 6.235 8.437 352 HA SER 44 HA SER 44 20.479 6.877 9.052 353 HB2 SER 44 HB2 SER 44 18.828 7.892 10.410 354 HB3 SER 44 HB3 SER 44 18.043 6.350 10.750 355 HG SER 44 HG SER 44 19.909 7.558 12.168 356 H LYS 45 H LYS 45 18.711 3.915 8.999 357 HA LYS 45 HA LYS 45 20.739 2.520 10.574 358 HB2 LYS 45 HB2 LYS 45 18.006 1.813 9.568 359 HB3 LYS 45 HB3 LYS 45 19.127 0.533 10.015 360 HG2 LYS 45 HG2 LYS 45 18.454 2.787 11.878 361 HG3 LYS 45 HG3 LYS 45 17.487 1.312 11.787 362 HD2 LYS 45 HD2 LYS 45 19.634 0.036 12.191 363 HD3 LYS 45 HD3 LYS 45 20.381 1.589 12.573 364 HE2 LYS 45 HE2 LYS 45 19.742 0.793 14.657 365 HE3 LYS 45 HE3 LYS 45 18.415 1.868 14.223 366 HZ1 LYS 45 HZ1 LYS 45 17.991 -0.554 15.108 367 HZ2 LYS 45 HZ2 LYS 45 18.190 -0.951 13.476 368 HZ3 LYS 45 HZ3 LYS 45 16.985 0.143 13.939 369 H ILE 46 H ILE 46 21.186 3.646 7.839 370 HA ILE 46 HA ILE 46 21.959 1.138 6.495 371 HB ILE 46 HB ILE 46 21.303 3.790 5.206 372 HG12 ILE 46 HG12 ILE 46 19.832 1.147 5.105 373 HG13 ILE 46 HG13 ILE 46 19.331 2.547 6.047 374 HG21 ILE 46 HG21 ILE 46 21.378 1.761 3.288 375 HG22 ILE 46 HG22 ILE 46 22.531 3.077 3.499 376 HG23 ILE 46 HG23 ILE 46 22.815 1.523 4.283 377 HD11 ILE 46 HD11 ILE 46 19.353 2.195 3.077 378 HD12 ILE 46 HD12 ILE 46 18.013 2.633 4.137 379 HD13 ILE 46 HD13 ILE 46 19.300 3.795 3.816 380 H LYS 47 H LYS 47 22.924 4.332 7.512 381 HA LYS 47 HA LYS 47 25.425 4.415 6.182 382 HB2 LYS 47 HB2 LYS 47 24.265 5.872 8.540 383 HB3 LYS 47 HB3 LYS 47 25.946 6.105 8.077 384 HG2 LYS 47 HG2 LYS 47 24.973 7.813 6.930 385 HG3 LYS 47 HG3 LYS 47 24.888 6.541 5.709 386 HD2 LYS 47 HD2 LYS 47 22.630 6.354 5.868 387 HD3 LYS 47 HD3 LYS 47 22.614 6.726 7.594 388 HE2 LYS 47 HE2 LYS 47 21.547 8.464 6.157 389 HE3 LYS 47 HE3 LYS 47 22.867 9.063 7.160 390 HZ1 LYS 47 HZ1 LYS 47 22.857 9.844 4.794 391 HZ2 LYS 47 HZ2 LYS 47 23.236 8.262 4.332 392 HZ3 LYS 47 HZ3 LYS 47 24.305 9.136 5.310 393 H GLN 48 H GLN 48 24.315 2.827 9.037 394 HA GLN 48 HA GLN 48 26.997 2.388 10.064 395 HB2 GLN 48 HB2 GLN 48 25.882 1.192 11.888 396 HB3 GLN 48 HB3 GLN 48 25.181 2.788 11.652 397 HG2 GLN 48 HG2 GLN 48 23.246 1.668 11.786 398 HG3 GLN 48 HG3 GLN 48 23.557 1.332 10.084 399 HE21 GLN 48 HE21 GLN 48 21.937 -0.295 11.585 400 HE22 GLN 48 HE22 GLN 48 22.705 -1.825 11.811 401 H ILE 49 H ILE 49 24.651 0.794 8.099 402 HA ILE 49 HA ILE 49 25.550 -1.873 8.447 403 HB ILE 49 HB ILE 49 24.129 -0.641 6.083 404 HG12 ILE 49 HG12 ILE 49 22.862 -0.402 8.162 405 HG13 ILE 49 HG13 ILE 49 22.097 -1.586 7.108 406 HG21 ILE 49 HG21 ILE 49 23.520 -3.385 6.418 407 HG22 ILE 49 HG22 ILE 49 24.344 -2.602 5.071 408 HG23 ILE 49 HG23 ILE 49 25.275 -3.219 6.435 409 HD11 ILE 49 HD11 ILE 49 21.999 -2.508 9.251 410 HD12 ILE 49 HD12 ILE 49 23.335 -3.345 8.459 411 HD13 ILE 49 HD13 ILE 49 23.664 -2.056 9.617 412 H LEU 50 H LEU 50 25.843 0.049 5.465 413 HA LEU 50 HA LEU 50 28.242 -1.418 4.756 414 HB2 LEU 50 HB2 LEU 50 27.097 0.856 3.182 415 HB3 LEU 50 HB3 LEU 50 28.005 -0.543 2.610 416 HG LEU 50 HG LEU 50 25.174 -0.633 3.651 417 HD11 LEU 50 HD11 LEU 50 25.638 -1.241 0.840 418 HD12 LEU 50 HD12 LEU 50 25.999 0.432 1.262 419 HD13 LEU 50 HD13 LEU 50 24.402 -0.236 1.596 420 HD21 LEU 50 HD21 LEU 50 26.034 -2.758 3.993 421 HD22 LEU 50 HD22 LEU 50 27.072 -2.679 2.569 422 HD23 LEU 50 HD23 LEU 50 25.330 -2.881 2.380 423 H GLY 51 H GLY 51 27.359 2.034 5.020 424 HA2 GLY 51 HA2 GLY 51 28.943 3.296 6.544 425 HA3 GLY 51 HA3 GLY 51 30.209 2.604 5.541 426 H ILE 52 H ILE 52 27.112 3.803 4.375 427 HA ILE 52 HA ILE 52 28.447 5.507 2.480 428 HB ILE 52 HB ILE 52 26.354 4.265 1.940 429 HG12 ILE 52 HG12 ILE 52 25.612 7.115 1.587 430 HG13 ILE 52 HG13 ILE 52 27.203 6.643 1.000 431 HG21 ILE 52 HG21 ILE 52 24.631 6.291 3.171 432 HG22 ILE 52 HG22 ILE 52 24.417 4.547 3.036 433 HG23 ILE 52 HG23 ILE 52 25.430 5.214 4.316 434 HD11 ILE 52 HD11 ILE 52 25.818 6.393 -0.844 435 HD12 ILE 52 HD12 ILE 52 25.970 4.753 -0.212 436 HD13 ILE 52 HD13 ILE 52 24.512 5.691 0.111 437 H LYS 53 H LYS 53 28.346 7.750 2.345 438 HA LYS 53 HA LYS 53 27.781 9.093 4.897 439 HB2 LYS 53 HB2 LYS 53 29.407 10.132 2.573 440 HB3 LYS 53 HB3 LYS 53 29.302 10.826 4.185 441 HG2 LYS 53 HG2 LYS 53 30.460 8.118 3.558 442 HG3 LYS 53 HG3 LYS 53 31.401 9.595 3.779 443 HD2 LYS 53 HD2 LYS 53 29.494 8.617 5.882 444 HD3 LYS 53 HD3 LYS 53 31.150 8.014 5.786 445 HE2 LYS 53 HE2 LYS 53 31.442 9.759 7.236 446 HE3 LYS 53 HE3 LYS 53 31.723 10.582 5.703 447 HZ1 LYS 53 HZ1 LYS 53 28.968 10.608 6.316 448 HZ2 LYS 53 HZ2 LYS 53 30.019 11.915 6.105 449 HZ3 LYS 53 HZ3 LYS 53 29.839 11.213 7.633 Start of MODEL 9 1 H1 MET 1 H MET 1 2.588 1.849 -5.340 2 HA MET 1 HA MET 1 5.451 1.219 -5.529 3 HB2 MET 1 HB2 MET 1 5.904 2.545 -3.525 4 HB3 MET 1 HB3 MET 1 5.247 3.553 -4.808 5 HG2 MET 1 HG2 MET 1 3.361 2.407 -2.825 6 HG3 MET 1 HG3 MET 1 4.406 3.731 -2.318 7 HE1 MET 1 HE1 MET 1 4.221 6.352 -3.808 8 HE2 MET 1 HE2 MET 1 2.588 6.692 -3.235 9 HE3 MET 1 HE3 MET 1 3.713 5.795 -2.213 10 H ALA 2 H ALA 2 6.259 -0.148 -3.883 11 HA ALA 2 HA ALA 2 4.187 -1.505 -2.285 12 HB1 ALA 2 HB1 ALA 2 6.516 -2.793 -3.704 13 HB2 ALA 2 HB2 ALA 2 5.375 -3.620 -2.643 14 HB3 ALA 2 HB3 ALA 2 4.817 -2.917 -4.161 15 H GLY 3 H GLY 3 5.977 0.664 -1.511 16 HA2 GLY 3 HA2 GLY 3 7.061 1.188 0.464 17 HA3 GLY 3 HA3 GLY 3 6.978 -0.509 0.915 18 H PHE 4 H PHE 4 8.428 -1.910 -0.662 19 HA PHE 4 HA PHE 4 11.087 -1.254 -0.080 20 HB2 PHE 4 HB2 PHE 4 10.358 -3.557 -0.460 21 HB3 PHE 4 HB3 PHE 4 10.010 -3.185 -2.145 22 HD1 PHE 4 HD2 PHE 4 11.869 -2.677 -3.703 23 HD2 PHE 4 HD1 PHE 4 12.553 -4.052 0.267 24 HE1 PHE 4 HE2 PHE 4 14.173 -3.284 -4.314 25 HE2 PHE 4 HE1 PHE 4 14.859 -4.661 -0.338 26 HZ PHE 4 HZ PHE 4 15.671 -4.278 -2.631 27 H LEU 5 H LEU 5 9.468 -1.301 -3.259 28 HA LEU 5 HA LEU 5 11.549 -0.225 -4.749 29 HB2 LEU 5 HB2 LEU 5 8.570 -0.165 -5.079 30 HB3 LEU 5 HB3 LEU 5 9.629 0.641 -6.235 31 HG LEU 5 HG LEU 5 9.022 -1.495 -7.120 32 HD11 LEU 5 HD11 LEU 5 11.161 -2.424 -7.553 33 HD12 LEU 5 HD12 LEU 5 11.817 -1.786 -6.046 34 HD13 LEU 5 HD13 LEU 5 11.389 -0.686 -7.356 35 HD21 LEU 5 HD21 LEU 5 10.292 -2.986 -4.882 36 HD22 LEU 5 HD22 LEU 5 9.012 -3.481 -5.990 37 HD23 LEU 5 HD23 LEU 5 8.652 -2.376 -4.662 38 H LYS 6 H LYS 6 9.341 1.318 -2.572 39 HA LYS 6 HA LYS 6 9.772 3.985 -3.532 40 HB2 LYS 6 HB2 LYS 6 7.721 3.572 -2.392 41 HB3 LYS 6 HB3 LYS 6 8.550 2.869 -1.010 42 HG2 LYS 6 HG2 LYS 6 9.088 4.892 -0.124 43 HG3 LYS 6 HG3 LYS 6 9.174 5.684 -1.699 44 HD2 LYS 6 HD2 LYS 6 7.264 6.561 -0.589 45 HD3 LYS 6 HD3 LYS 6 6.670 5.455 -1.830 46 HE2 LYS 6 HE2 LYS 6 6.262 3.748 -0.204 47 HE3 LYS 6 HE3 LYS 6 7.067 4.682 1.056 48 HZ1 LYS 6 HZ1 LYS 6 4.772 5.886 -0.307 49 HZ2 LYS 6 HZ2 LYS 6 5.295 6.070 1.291 50 HZ3 LYS 6 HZ3 LYS 6 4.472 4.667 0.827 51 H VAL 7 H VAL 7 10.788 2.268 -0.573 52 HA VAL 7 HA VAL 7 12.498 4.267 0.385 53 HB VAL 7 HB VAL 7 13.560 2.484 1.733 54 HG11 VAL 7 HG11 VAL 7 10.580 2.711 1.577 55 HG12 VAL 7 HG12 VAL 7 11.338 1.650 2.766 56 HG13 VAL 7 HG13 VAL 7 11.690 3.379 2.773 57 HG21 VAL 7 HG21 VAL 7 12.832 0.191 1.553 58 HG22 VAL 7 HG22 VAL 7 11.720 0.609 0.249 59 HG23 VAL 7 HG23 VAL 7 13.461 0.724 -0.007 60 H VAL 8 H VAL 8 12.898 1.981 -2.159 61 HA VAL 8 HA VAL 8 15.791 2.175 -2.194 62 HB VAL 8 HB VAL 8 13.897 0.868 -4.152 63 HG11 VAL 8 HG11 VAL 8 15.847 1.328 -5.370 64 HG12 VAL 8 HG12 VAL 8 16.895 0.964 -3.997 65 HG13 VAL 8 HG13 VAL 8 16.043 -0.338 -4.828 66 HG21 VAL 8 HG21 VAL 8 13.829 -0.874 -2.776 67 HG22 VAL 8 HG22 VAL 8 15.590 -0.936 -2.705 68 HG23 VAL 8 HG23 VAL 8 14.697 0.080 -1.573 69 H GLN 9 H GLN 9 13.068 3.714 -3.672 70 HA GLN 9 HA GLN 9 14.322 4.738 -5.981 71 HB2 GLN 9 HB2 GLN 9 11.886 5.469 -4.406 72 HB3 GLN 9 HB3 GLN 9 12.460 6.565 -5.656 73 HG2 GLN 9 HG2 GLN 9 12.176 3.718 -6.399 74 HG3 GLN 9 HG3 GLN 9 10.693 4.629 -6.119 75 HE21 GLN 9 HE21 GLN 9 9.895 5.684 -7.785 76 HE22 GLN 9 HE22 GLN 9 10.764 6.155 -9.202 77 H LEU 10 H LEU 10 14.322 5.745 -2.650 78 HA LEU 10 HA LEU 10 15.305 8.387 -3.125 79 HB2 LEU 10 HB2 LEU 10 14.980 6.636 -0.729 80 HB3 LEU 10 HB3 LEU 10 15.964 8.093 -0.611 81 HG LEU 10 HG LEU 10 13.692 8.466 0.204 82 HD11 LEU 10 HD11 LEU 10 15.005 9.966 -1.869 83 HD12 LEU 10 HD12 LEU 10 14.107 10.540 -0.464 84 HD13 LEU 10 HD13 LEU 10 13.255 10.172 -1.964 85 HD21 LEU 10 HD21 LEU 10 12.780 6.751 -1.547 86 HD22 LEU 10 HD22 LEU 10 12.617 8.182 -2.565 87 HD23 LEU 10 HD23 LEU 10 11.777 8.101 -1.016 88 H LEU 11 H LEU 11 16.749 5.247 -2.565 89 HA LEU 11 HA LEU 11 19.347 6.001 -1.909 90 HB2 LEU 11 HB2 LEU 11 18.090 3.619 -3.147 91 HB3 LEU 11 HB3 LEU 11 19.838 3.780 -3.299 92 HG LEU 11 HG LEU 11 19.272 2.366 -1.414 93 HD11 LEU 11 HD11 LEU 11 20.114 4.723 0.094 94 HD12 LEU 11 HD12 LEU 11 21.034 4.449 -1.385 95 HD13 LEU 11 HD13 LEU 11 20.934 3.183 -0.162 96 HD21 LEU 11 HD21 LEU 11 17.082 3.930 -1.097 97 HD22 LEU 11 HD22 LEU 11 18.113 4.529 0.202 98 HD23 LEU 11 HD23 LEU 11 17.696 2.816 0.125 99 H ALA 12 H ALA 12 17.664 6.179 -4.919 100 HA ALA 12 HA ALA 12 19.689 6.110 -6.792 101 HB1 ALA 12 HB1 ALA 12 18.120 6.816 -8.224 102 HB2 ALA 12 HB2 ALA 12 17.025 6.698 -6.846 103 HB3 ALA 12 HB3 ALA 12 17.751 8.249 -7.265 104 H LYS 13 H LYS 13 18.749 8.747 -4.647 105 HA LYS 13 HA LYS 13 20.387 10.738 -5.801 106 HB2 LYS 13 HB2 LYS 13 19.924 12.038 -3.869 107 HB3 LYS 13 HB3 LYS 13 18.475 11.092 -4.182 108 HG2 LYS 13 HG2 LYS 13 18.612 10.708 -1.968 109 HG3 LYS 13 HG3 LYS 13 19.716 9.433 -2.490 110 HD2 LYS 13 HD2 LYS 13 21.036 10.430 -0.922 111 HD3 LYS 13 HD3 LYS 13 21.476 11.415 -2.319 112 HE2 LYS 13 HE2 LYS 13 21.037 13.032 -0.739 113 HE3 LYS 13 HE3 LYS 13 19.474 12.898 -1.543 114 HZ1 LYS 13 HZ1 LYS 13 19.981 11.194 0.784 115 HZ2 LYS 13 HZ2 LYS 13 18.533 11.885 0.249 116 HZ3 LYS 13 HZ3 LYS 13 19.677 12.836 1.055 117 H TYR 14 H TYR 14 20.994 8.209 -3.465 118 HA TYR 14 HA TYR 14 23.532 9.233 -2.614 119 HB2 TYR 14 HB2 TYR 14 22.021 6.682 -2.200 120 HB3 TYR 14 HB3 TYR 14 23.732 6.746 -1.792 121 HD1 TYR 14 HD2 TYR 14 24.494 8.562 -0.158 122 HD2 TYR 14 HD1 TYR 14 20.411 7.496 -0.708 123 HE1 TYR 14 HE2 TYR 14 23.943 9.576 2.013 124 HE2 TYR 14 HE1 TYR 14 19.849 8.509 1.462 125 HH TYR 14 HH TYR 14 21.686 9.027 3.782 126 H GLY 15 H GLY 15 22.402 7.088 -5.129 127 HA2 GLY 15 HA2 GLY 15 24.075 7.169 -7.061 128 HA3 GLY 15 HA3 GLY 15 25.194 6.508 -5.878 129 H SER 16 H SER 16 25.453 4.736 -7.381 130 HA SER 16 HA SER 16 23.189 2.852 -7.356 131 HB2 SER 16 HB2 SER 16 24.117 3.654 -9.596 132 HB3 SER 16 HB3 SER 16 25.563 2.719 -9.216 133 HG SER 16 HG SER 16 23.009 1.858 -9.894 134 H LYS 17 H LYS 17 25.139 3.276 -5.204 135 HA LYS 17 HA LYS 17 26.432 0.627 -5.194 136 HB2 LYS 17 HB2 LYS 17 27.219 3.164 -3.752 137 HB3 LYS 17 HB3 LYS 17 27.977 1.600 -3.485 138 HG2 LYS 17 HG2 LYS 17 28.964 1.578 -5.590 139 HG3 LYS 17 HG3 LYS 17 27.864 2.805 -6.222 140 HD2 LYS 17 HD2 LYS 17 28.915 4.397 -4.543 141 HD3 LYS 17 HD3 LYS 17 30.158 3.166 -4.308 142 HE2 LYS 17 HE2 LYS 17 30.879 4.830 -5.933 143 HE3 LYS 17 HE3 LYS 17 30.691 3.251 -6.694 144 HZ1 LYS 17 HZ1 LYS 17 29.134 4.035 -8.051 145 HZ2 LYS 17 HZ2 LYS 17 29.594 5.587 -7.561 146 HZ3 LYS 17 HZ3 LYS 17 28.295 4.812 -6.803 147 H ALA 18 H ALA 18 24.598 2.967 -3.293 148 HA ALA 18 HA ALA 18 24.322 1.161 -1.054 149 HB1 ALA 18 HB1 ALA 18 23.011 3.820 -1.605 150 HB2 ALA 18 HB2 ALA 18 22.916 2.924 -0.088 151 HB3 ALA 18 HB3 ALA 18 24.467 3.551 -0.647 152 H VAL 19 H VAL 19 22.560 1.976 -3.925 153 HA VAL 19 HA VAL 19 20.014 1.011 -3.083 154 HB VAL 19 HB VAL 19 20.239 2.572 -4.961 155 HG11 VAL 19 HG11 VAL 19 21.237 2.035 -7.007 156 HG12 VAL 19 HG12 VAL 19 22.368 1.420 -5.801 157 HG13 VAL 19 HG13 VAL 19 21.280 0.312 -6.637 158 HG21 VAL 19 HG21 VAL 19 18.293 1.798 -5.704 159 HG22 VAL 19 HG22 VAL 19 19.091 0.456 -6.524 160 HG23 VAL 19 HG23 VAL 19 18.603 0.294 -4.837 161 H GLN 20 H GLN 20 22.883 -0.476 -4.331 162 HA GLN 20 HA GLN 20 21.738 -2.857 -5.331 163 HB2 GLN 20 HB2 GLN 20 24.099 -1.959 -5.715 164 HB3 GLN 20 HB3 GLN 20 24.497 -2.636 -4.141 165 HG2 GLN 20 HG2 GLN 20 23.241 -4.345 -6.245 166 HG3 GLN 20 HG3 GLN 20 24.971 -4.007 -6.277 167 HE21 GLN 20 HE21 GLN 20 25.960 -4.251 -3.961 168 HE22 GLN 20 HE22 GLN 20 25.568 -5.738 -3.172 169 H TRP 21 H TRP 21 22.777 -1.855 -2.133 170 HA TRP 21 HA TRP 21 22.812 -4.336 -0.856 171 HB2 TRP 21 HB2 TRP 21 23.586 -2.114 0.082 172 HB3 TRP 21 HB3 TRP 21 21.894 -1.753 0.413 173 HD1 TRP 21 HD1 TRP 21 24.377 -4.625 1.267 174 HE1 TRP 21 HE1 TRP 21 23.912 -5.369 3.687 175 HE3 TRP 21 HE3 TRP 21 20.447 -1.531 2.326 176 HZ2 TRP 21 HZ2 TRP 21 22.117 -4.729 5.769 177 HZ3 TRP 21 HZ3 TRP 21 19.412 -1.660 4.555 178 HH2 TRP 21 HH2 TRP 21 20.231 -3.227 6.239 179 H ALA 22 H ALA 22 20.152 -1.956 -0.918 180 HA ALA 22 HA ALA 22 18.229 -3.449 0.380 181 HB1 ALA 22 HB1 ALA 22 17.865 -1.129 -0.128 182 HB2 ALA 22 HB2 ALA 22 17.876 -1.463 -1.860 183 HB3 ALA 22 HB3 ALA 22 16.567 -2.079 -0.852 184 H TRP 23 H TRP 23 18.970 -3.387 -3.094 185 HA TRP 23 HA TRP 23 16.959 -5.222 -3.853 186 HB2 TRP 23 HB2 TRP 23 19.407 -4.097 -5.130 187 HB3 TRP 23 HB3 TRP 23 18.692 -5.539 -5.846 188 HD1 TRP 23 HD1 TRP 23 18.438 -1.869 -5.940 189 HE1 TRP 23 HE1 TRP 23 16.308 -1.133 -7.184 190 HE3 TRP 23 HE3 TRP 23 15.989 -6.355 -6.082 191 HZ2 TRP 23 HZ2 TRP 23 13.907 -2.299 -8.103 192 HZ3 TRP 23 HZ3 TRP 23 13.780 -6.459 -7.161 193 HH2 TRP 23 HH2 TRP 23 12.762 -4.472 -8.150 194 H ALA 24 H ALA 24 20.172 -5.611 -2.577 195 HA ALA 24 HA ALA 24 20.408 -8.386 -3.293 196 HB1 ALA 24 HB1 ALA 24 22.082 -6.363 -2.059 197 HB2 ALA 24 HB2 ALA 24 22.222 -7.929 -1.260 198 HB3 ALA 24 HB3 ALA 24 22.533 -7.792 -2.990 199 H ASN 25 H ASN 25 20.444 -6.871 -0.065 200 HA ASN 25 HA ASN 25 19.484 -9.293 1.153 201 HB2 ASN 25 HB2 ASN 25 20.014 -6.542 2.296 202 HB3 ASN 25 HB3 ASN 25 19.556 -7.945 3.257 203 HD21 ASN 25 HD21 ASN 25 22.029 -6.569 1.202 204 HD22 ASN 25 HD22 ASN 25 23.324 -7.563 1.769 205 H LYS 26 H LYS 26 17.435 -9.852 1.440 206 HA LYS 26 HA LYS 26 15.391 -7.750 1.620 207 HB2 LYS 26 HB2 LYS 26 13.892 -9.008 0.179 208 HB3 LYS 26 HB3 LYS 26 15.386 -8.649 -0.677 209 HG2 LYS 26 HG2 LYS 26 16.159 -10.968 -0.034 210 HG3 LYS 26 HG3 LYS 26 14.497 -11.274 0.478 211 HD2 LYS 26 HD2 LYS 26 14.954 -10.149 -2.239 212 HD3 LYS 26 HD3 LYS 26 15.323 -11.854 -1.966 213 HE2 LYS 26 HE2 LYS 26 12.688 -10.558 -1.284 214 HE3 LYS 26 HE3 LYS 26 13.007 -11.413 -2.792 215 HZ1 LYS 26 HZ1 LYS 26 13.658 -12.873 -0.375 216 HZ2 LYS 26 HZ2 LYS 26 12.891 -13.401 -1.787 217 HZ3 LYS 26 HZ3 LYS 26 12.009 -12.570 -0.607 218 H GLY 27 H GLY 27 13.580 -8.255 2.882 219 HA2 GLY 27 HA2 GLY 27 12.264 -9.895 4.101 220 HA3 GLY 27 HA3 GLY 27 13.749 -10.791 4.381 221 H LYS 28 H LYS 28 15.130 -8.147 4.922 222 HA LYS 28 HA LYS 28 14.270 -7.947 7.723 223 HB2 LYS 28 HB2 LYS 28 16.868 -6.943 6.568 224 HB3 LYS 28 HB3 LYS 28 16.478 -7.232 8.258 225 HG2 LYS 28 HG2 LYS 28 16.668 -9.386 6.164 226 HG3 LYS 28 HG3 LYS 28 17.970 -8.939 7.269 227 HD2 LYS 28 HD2 LYS 28 15.247 -9.758 8.246 228 HD3 LYS 28 HD3 LYS 28 16.525 -10.933 7.926 229 HE2 LYS 28 HE2 LYS 28 17.032 -8.564 9.686 230 HE3 LYS 28 HE3 LYS 28 16.231 -9.999 10.325 231 HZ1 LYS 28 HZ1 LYS 28 18.127 -11.161 10.305 232 HZ2 LYS 28 HZ2 LYS 28 18.889 -9.653 10.239 233 HZ3 LYS 28 HZ3 LYS 28 18.636 -10.536 8.818 234 H ILE 29 H ILE 29 14.815 -6.097 4.810 235 HA ILE 29 HA ILE 29 14.517 -3.534 6.061 236 HB ILE 29 HB ILE 29 14.255 -4.226 3.134 237 HG12 ILE 29 HG12 ILE 29 16.683 -3.347 4.713 238 HG13 ILE 29 HG13 ILE 29 16.422 -4.951 4.035 239 HG21 ILE 29 HG21 ILE 29 13.978 -2.053 2.732 240 HG22 ILE 29 HG22 ILE 29 13.680 -1.867 4.459 241 HG23 ILE 29 HG23 ILE 29 15.300 -1.609 3.812 242 HD11 ILE 29 HD11 ILE 29 16.966 -2.380 2.602 243 HD12 ILE 29 HD12 ILE 29 17.864 -3.897 2.541 244 HD13 ILE 29 HD13 ILE 29 16.279 -3.778 1.777 245 H LEU 30 H LEU 30 12.420 -5.705 4.217 246 HA LEU 30 HA LEU 30 10.205 -4.049 3.928 247 HB2 LEU 30 HB2 LEU 30 10.567 -7.007 4.112 248 HB3 LEU 30 HB3 LEU 30 8.941 -6.328 4.079 249 HG LEU 30 HG LEU 30 9.629 -7.062 1.865 250 HD11 LEU 30 HD11 LEU 30 8.592 -5.349 0.869 251 HD12 LEU 30 HD12 LEU 30 9.782 -4.175 1.428 252 HD13 LEU 30 HD13 LEU 30 8.470 -4.676 2.494 253 HD21 LEU 30 HD21 LEU 30 12.049 -6.797 2.156 254 HD22 LEU 30 HD22 LEU 30 11.856 -5.044 2.127 255 HD23 LEU 30 HD23 LEU 30 11.473 -5.997 0.693 256 H ASP 31 H ASP 31 11.425 -5.681 6.725 257 HA ASP 31 HA ASP 31 9.001 -5.544 8.250 258 HB2 ASP 31 HB2 ASP 31 11.145 -7.066 8.544 259 HB3 ASP 31 HB3 ASP 31 11.679 -5.731 9.561 260 H TRP 32 H TRP 32 11.928 -3.589 7.977 261 HA TRP 32 HA TRP 32 11.540 -1.853 10.105 262 HB2 TRP 32 HB2 TRP 32 12.816 -1.450 7.404 263 HB3 TRP 32 HB3 TRP 32 12.799 -0.181 8.626 264 HD1 TRP 32 HD1 TRP 32 13.282 -2.415 11.058 265 HE1 TRP 32 HE1 TRP 32 15.700 -3.230 11.401 266 HE3 TRP 32 HE3 TRP 32 15.217 -1.160 6.496 267 HZ2 TRP 32 HZ2 TRP 32 18.108 -3.327 9.932 268 HZ3 TRP 32 HZ3 TRP 32 17.587 -1.647 6.045 269 HH2 TRP 32 HH2 TRP 32 19.000 -2.708 7.729 270 H LEU 33 H LEU 33 10.282 -1.642 6.796 271 HA LEU 33 HA LEU 33 9.050 0.848 6.974 272 HB2 LEU 33 HB2 LEU 33 8.700 -1.571 5.306 273 HB3 LEU 33 HB3 LEU 33 7.371 -0.414 5.316 274 HG LEU 33 HG LEU 33 10.222 0.185 4.528 275 HD11 LEU 33 HD11 LEU 33 8.080 0.487 2.562 276 HD12 LEU 33 HD12 LEU 33 8.362 -1.178 3.069 277 HD13 LEU 33 HD13 LEU 33 9.685 -0.225 2.396 278 HD21 LEU 33 HD21 LEU 33 9.245 2.145 5.475 279 HD22 LEU 33 HD22 LEU 33 7.737 1.889 4.595 280 HD23 LEU 33 HD23 LEU 33 9.207 2.324 3.721 281 H ASN 34 H ASN 34 8.094 -2.240 8.250 282 HA ASN 34 HA ASN 34 5.390 -1.377 8.836 283 HB2 ASN 34 HB2 ASN 34 6.938 -3.912 9.307 284 HB3 ASN 34 HB3 ASN 34 5.384 -3.644 10.092 285 HD21 ASN 34 HD21 ASN 34 7.023 -4.074 7.046 286 HD22 ASN 34 HD22 ASN 34 5.618 -4.465 6.121 287 H ALA 35 H ALA 35 8.471 -1.546 10.417 288 HA ALA 35 HA ALA 35 7.230 -0.849 12.991 289 HB1 ALA 35 HB1 ALA 35 10.014 -1.850 12.404 290 HB2 ALA 35 HB2 ALA 35 9.382 -1.457 14.004 291 HB3 ALA 35 HB3 ALA 35 8.685 -2.790 13.083 292 H GLY 36 H GLY 36 7.390 1.091 10.922 293 HA2 GLY 36 HA2 GLY 36 8.557 3.240 12.340 294 HA3 GLY 36 HA3 GLY 36 9.619 2.765 11.023 295 H GLN 37 H GLN 37 7.780 2.096 9.069 296 HA GLN 37 HA GLN 37 6.646 3.062 7.348 297 HB2 GLN 37 HB2 GLN 37 5.267 4.205 9.758 298 HB3 GLN 37 HB3 GLN 37 4.773 4.676 8.137 299 HG2 GLN 37 HG2 GLN 37 4.952 1.796 8.935 300 HG3 GLN 37 HG3 GLN 37 3.521 2.764 9.282 301 HE21 GLN 37 HE21 GLN 37 2.128 3.266 7.664 302 HE22 GLN 37 HE22 GLN 37 2.280 2.677 6.046 303 H ALA 38 H ALA 38 9.047 4.148 7.494 304 HA ALA 38 HA ALA 38 8.665 6.767 6.433 305 HB1 ALA 38 HB1 ALA 38 10.100 7.958 8.068 306 HB2 ALA 38 HB2 ALA 38 8.561 7.421 8.743 307 HB3 ALA 38 HB3 ALA 38 10.040 6.532 9.104 308 H ILE 39 H ILE 39 10.086 6.937 4.836 309 HA ILE 39 HA ILE 39 12.134 5.082 4.372 310 HB ILE 39 HB ILE 39 11.859 7.855 3.205 311 HG12 ILE 39 HG12 ILE 39 10.906 5.217 2.077 312 HG13 ILE 39 HG13 ILE 39 9.866 6.348 2.936 313 HG21 ILE 39 HG21 ILE 39 13.827 7.416 2.261 314 HG22 ILE 39 HG22 ILE 39 13.810 5.750 2.836 315 HG23 ILE 39 HG23 ILE 39 13.002 6.169 1.326 316 HD11 ILE 39 HD11 ILE 39 9.443 6.887 0.751 317 HD12 ILE 39 HD12 ILE 39 10.717 8.041 1.150 318 HD13 ILE 39 HD13 ILE 39 11.102 6.580 0.239 319 H ASP 40 H ASP 40 12.310 8.450 5.506 320 HA ASP 40 HA ASP 40 15.074 8.655 5.733 321 HB2 ASP 40 HB2 ASP 40 13.238 10.456 6.038 322 HB3 ASP 40 HB3 ASP 40 13.219 9.939 7.722 323 H TRP 41 H TRP 41 12.777 7.008 7.745 324 HA TRP 41 HA TRP 41 14.490 6.762 10.028 325 HB2 TRP 41 HB2 TRP 41 11.981 6.639 10.105 326 HB3 TRP 41 HB3 TRP 41 12.089 5.065 9.322 327 HD1 TRP 41 HD1 TRP 41 12.726 6.797 12.666 328 HE1 TRP 41 HE1 TRP 41 13.048 4.999 14.479 329 HE3 TRP 41 HE3 TRP 41 12.870 2.650 9.680 330 HZ2 TRP 41 HZ2 TRP 41 13.328 2.194 14.625 331 HZ3 TRP 41 HZ3 TRP 41 13.169 0.447 10.736 332 HH2 TRP 41 HH2 TRP 41 13.393 0.226 13.157 333 H VAL 42 H VAL 42 14.042 5.022 7.069 334 HA VAL 42 HA VAL 42 15.475 2.678 8.033 335 HB VAL 42 HB VAL 42 14.408 3.293 5.274 336 HG11 VAL 42 HG11 VAL 42 15.921 1.015 6.417 337 HG12 VAL 42 HG12 VAL 42 14.610 0.641 5.296 338 HG13 VAL 42 HG13 VAL 42 15.938 1.684 4.785 339 HG21 VAL 42 HG21 VAL 42 12.420 2.874 6.199 340 HG22 VAL 42 HG22 VAL 42 12.957 1.201 6.343 341 HG23 VAL 42 HG23 VAL 42 13.149 2.308 7.702 342 H VAL 43 H VAL 43 15.967 5.460 5.944 343 HA VAL 43 HA VAL 43 18.345 4.688 4.697 344 HB VAL 43 HB VAL 43 17.652 7.504 5.537 345 HG11 VAL 43 HG11 VAL 43 19.261 8.227 4.133 346 HG12 VAL 43 HG12 VAL 43 19.936 6.618 4.402 347 HG13 VAL 43 HG13 VAL 43 18.967 6.940 2.963 348 HG21 VAL 43 HG21 VAL 43 16.259 5.727 3.762 349 HG22 VAL 43 HG22 VAL 43 15.852 7.375 4.238 350 HG23 VAL 43 HG23 VAL 43 16.919 7.093 2.862 351 H SER 44 H SER 44 17.806 6.333 7.789 352 HA SER 44 HA SER 44 20.483 6.851 8.422 353 HB2 SER 44 HB2 SER 44 18.358 6.183 10.460 354 HB3 SER 44 HB3 SER 44 19.742 7.259 10.646 355 HG SER 44 HG SER 44 18.715 8.555 8.950 356 H LYS 45 H LYS 45 18.717 3.912 8.375 357 HA LYS 45 HA LYS 45 20.646 2.535 10.084 358 HB2 LYS 45 HB2 LYS 45 18.069 2.180 10.102 359 HB3 LYS 45 HB3 LYS 45 18.357 1.204 8.668 360 HG2 LYS 45 HG2 LYS 45 19.561 -0.394 9.840 361 HG3 LYS 45 HG3 LYS 45 19.891 0.700 11.185 362 HD2 LYS 45 HD2 LYS 45 17.106 -0.203 10.501 363 HD3 LYS 45 HD3 LYS 45 18.158 -1.132 11.571 364 HE2 LYS 45 HE2 LYS 45 17.690 1.783 12.061 365 HE3 LYS 45 HE3 LYS 45 16.500 0.592 12.582 366 HZ1 LYS 45 HZ1 LYS 45 19.286 0.099 13.299 367 HZ2 LYS 45 HZ2 LYS 45 17.872 -0.225 14.169 368 HZ3 LYS 45 HZ3 LYS 45 18.492 1.349 14.117 369 H ILE 46 H ILE 46 21.197 3.628 7.323 370 HA ILE 46 HA ILE 46 22.027 1.108 6.041 371 HB ILE 46 HB ILE 46 21.742 3.792 4.693 372 HG12 ILE 46 HG12 ILE 46 19.549 3.061 5.453 373 HG13 ILE 46 HG13 ILE 46 19.665 2.870 3.707 374 HG21 ILE 46 HG21 ILE 46 22.516 1.062 3.822 375 HG22 ILE 46 HG22 ILE 46 21.567 2.047 2.708 376 HG23 ILE 46 HG23 ILE 46 23.122 2.633 3.298 377 HD11 ILE 46 HD11 ILE 46 20.498 0.431 4.699 378 HD12 ILE 46 HD12 ILE 46 19.165 0.898 5.755 379 HD13 ILE 46 HD13 ILE 46 18.919 0.808 4.012 380 H LYS 47 H LYS 47 23.048 4.312 7.055 381 HA LYS 47 HA LYS 47 25.649 4.257 5.973 382 HB2 LYS 47 HB2 LYS 47 26.142 5.995 7.715 383 HB3 LYS 47 HB3 LYS 47 24.745 6.347 6.705 384 HG2 LYS 47 HG2 LYS 47 23.744 4.939 8.902 385 HG3 LYS 47 HG3 LYS 47 24.916 6.084 9.558 386 HD2 LYS 47 HD2 LYS 47 23.043 7.106 7.502 387 HD3 LYS 47 HD3 LYS 47 22.364 6.728 9.087 388 HE2 LYS 47 HE2 LYS 47 23.120 9.091 8.829 389 HE3 LYS 47 HE3 LYS 47 23.876 8.230 10.169 390 HZ1 LYS 47 HZ1 LYS 47 25.144 8.517 7.504 391 HZ2 LYS 47 HZ2 LYS 47 25.862 7.973 8.935 392 HZ3 LYS 47 HZ3 LYS 47 25.413 9.596 8.779 393 H GLN 48 H GLN 48 24.256 2.796 8.794 394 HA GLN 48 HA GLN 48 26.767 2.273 10.095 395 HB2 GLN 48 HB2 GLN 48 25.398 0.865 11.617 396 HB3 GLN 48 HB3 GLN 48 24.793 2.509 11.462 397 HG2 GLN 48 HG2 GLN 48 23.054 1.776 9.966 398 HG3 GLN 48 HG3 GLN 48 23.698 0.135 9.973 399 HE21 GLN 48 HE21 GLN 48 22.706 2.611 12.318 400 HE22 GLN 48 HE22 GLN 48 21.825 1.532 13.341 401 H ILE 49 H ILE 49 24.672 0.621 7.849 402 HA ILE 49 HA ILE 49 25.934 -1.942 8.155 403 HB ILE 49 HB ILE 49 24.222 -1.019 5.849 404 HG12 ILE 49 HG12 ILE 49 23.034 -0.621 7.950 405 HG13 ILE 49 HG13 ILE 49 22.317 -1.976 7.086 406 HG21 ILE 49 HG21 ILE 49 23.848 -3.742 6.545 407 HG22 ILE 49 HG22 ILE 49 24.527 -3.069 5.064 408 HG23 ILE 49 HG23 ILE 49 25.582 -3.443 6.427 409 HD11 ILE 49 HD11 ILE 49 22.390 -2.628 9.331 410 HD12 ILE 49 HD12 ILE 49 23.739 -3.467 8.566 411 HD13 ILE 49 HD13 ILE 49 24.035 -2.028 9.540 412 H LEU 50 H LEU 50 25.690 0.139 5.269 413 HA LEU 50 HA LEU 50 27.949 -1.050 4.025 414 HB2 LEU 50 HB2 LEU 50 26.744 1.627 3.368 415 HB3 LEU 50 HB3 LEU 50 27.663 0.567 2.300 416 HG LEU 50 HG LEU 50 24.914 -0.028 3.394 417 HD11 LEU 50 HD11 LEU 50 25.762 0.850 0.638 418 HD12 LEU 50 HD12 LEU 50 24.890 1.834 1.812 419 HD13 LEU 50 HD13 LEU 50 24.130 0.397 1.130 420 HD21 LEU 50 HD21 LEU 50 26.917 -1.599 1.943 421 HD22 LEU 50 HD22 LEU 50 25.307 -1.624 1.223 422 HD23 LEU 50 HD23 LEU 50 25.531 -2.126 2.900 423 H GLY 51 H GLY 51 27.511 2.330 5.100 424 HA2 GLY 51 HA2 GLY 51 29.274 3.063 6.765 425 HA3 GLY 51 HA3 GLY 51 30.420 2.421 5.598 426 H ILE 52 H ILE 52 27.489 4.218 4.830 427 HA ILE 52 HA ILE 52 29.105 6.154 3.374 428 HB ILE 52 HB ILE 52 27.088 5.133 2.324 429 HG12 ILE 52 HG12 ILE 52 26.524 8.058 2.566 430 HG13 ILE 52 HG13 ILE 52 28.086 7.553 1.930 431 HG21 ILE 52 HG21 ILE 52 25.114 6.823 3.512 432 HG22 ILE 52 HG22 ILE 52 25.139 5.065 3.379 433 HG23 ILE 52 HG23 ILE 52 25.888 5.855 4.766 434 HD11 ILE 52 HD11 ILE 52 26.950 6.269 0.188 435 HD12 ILE 52 HD12 ILE 52 25.393 6.804 0.820 436 HD13 ILE 52 HD13 ILE 52 26.519 7.978 0.139 437 H LYS 53 H LYS 53 28.939 8.406 3.662 438 HA LYS 53 HA LYS 53 28.394 9.181 6.415 439 HB2 LYS 53 HB2 LYS 53 29.945 10.331 4.147 440 HB3 LYS 53 HB3 LYS 53 29.323 11.444 5.358 441 HG2 LYS 53 HG2 LYS 53 31.435 10.960 6.148 442 HG3 LYS 53 HG3 LYS 53 30.420 9.840 7.060 443 HD2 LYS 53 HD2 LYS 53 31.041 8.014 5.682 444 HD3 LYS 53 HD3 LYS 53 31.784 9.079 4.486 445 HE2 LYS 53 HE2 LYS 53 33.551 9.648 6.009 446 HE3 LYS 53 HE3 LYS 53 32.759 8.780 7.323 447 HZ1 LYS 53 HZ1 LYS 53 33.164 7.084 5.081 448 HZ2 LYS 53 HZ2 LYS 53 33.698 6.895 6.674 449 HZ3 LYS 53 HZ3 LYS 53 34.628 7.777 5.571 Start of MODEL 10 1 H1 MET 1 H MET 1 0.629 -1.139 -0.350 2 HA MET 1 HA MET 1 1.663 1.231 -1.658 3 HB2 MET 1 HB2 MET 1 0.518 1.861 0.587 4 HB3 MET 1 HB3 MET 1 1.925 1.111 1.330 5 HG2 MET 1 HG2 MET 1 2.332 3.442 1.205 6 HG3 MET 1 HG3 MET 1 3.359 2.657 0.008 7 HE1 MET 1 HE1 MET 1 3.098 5.807 -1.420 8 HE2 MET 1 HE2 MET 1 1.672 6.284 -0.497 9 HE3 MET 1 HE3 MET 1 2.991 5.425 0.299 10 H ALA 2 H ALA 2 3.622 0.732 -2.368 11 HA ALA 2 HA ALA 2 5.128 -1.383 -0.991 12 HB1 ALA 2 HB1 ALA 2 6.463 -1.332 -3.201 13 HB2 ALA 2 HB2 ALA 2 4.855 -2.057 -3.196 14 HB3 ALA 2 HB3 ALA 2 5.085 -0.426 -3.828 15 H GLY 3 H GLY 3 6.002 -0.033 0.637 16 HA2 GLY 3 HA2 GLY 3 7.395 2.370 0.118 17 HA3 GLY 3 HA3 GLY 3 7.551 1.386 1.565 18 H PHE 4 H PHE 4 8.302 -0.933 -0.270 19 HA PHE 4 HA PHE 4 11.081 -0.740 0.032 20 HB2 PHE 4 HB2 PHE 4 10.128 -2.914 -0.091 21 HB3 PHE 4 HB3 PHE 4 9.351 -2.565 -1.632 22 HD1 PHE 4 HD1 PHE 4 12.499 -3.414 0.028 23 HD2 PHE 4 HD2 PHE 4 10.582 -2.664 -3.698 24 HE1 PHE 4 HE1 PHE 4 14.433 -4.369 -1.155 25 HE2 PHE 4 HE2 PHE 4 12.513 -3.619 -4.887 26 HZ PHE 4 HZ PHE 4 14.441 -4.474 -3.616 27 H LEU 5 H LEU 5 9.016 -0.241 -2.802 28 HA LEU 5 HA LEU 5 11.188 0.288 -4.577 29 HB2 LEU 5 HB2 LEU 5 8.218 0.642 -4.721 30 HB3 LEU 5 HB3 LEU 5 9.264 1.295 -5.980 31 HG LEU 5 HG LEU 5 9.740 -1.533 -5.378 32 HD11 LEU 5 HD11 LEU 5 7.681 -2.144 -6.777 33 HD12 LEU 5 HD12 LEU 5 7.051 -0.570 -6.290 34 HD13 LEU 5 HD13 LEU 5 7.442 -1.780 -5.067 35 HD21 LEU 5 HD21 LEU 5 10.269 -1.620 -7.582 36 HD22 LEU 5 HD22 LEU 5 10.453 0.118 -7.348 37 HD23 LEU 5 HD23 LEU 5 8.970 -0.525 -8.053 38 H LYS 6 H LYS 6 9.350 2.171 -2.338 39 HA LYS 6 HA LYS 6 10.003 4.722 -3.492 40 HB2 LYS 6 HB2 LYS 6 8.027 4.001 -1.879 41 HB3 LYS 6 HB3 LYS 6 9.189 4.443 -0.634 42 HG2 LYS 6 HG2 LYS 6 9.387 6.676 -1.622 43 HG3 LYS 6 HG3 LYS 6 8.198 6.229 -2.847 44 HD2 LYS 6 HD2 LYS 6 6.775 7.197 -1.370 45 HD3 LYS 6 HD3 LYS 6 6.813 5.588 -0.647 46 HE2 LYS 6 HE2 LYS 6 8.251 6.255 1.057 47 HE3 LYS 6 HE3 LYS 6 8.799 7.676 0.169 48 HZ1 LYS 6 HZ1 LYS 6 7.329 8.815 1.354 49 HZ2 LYS 6 HZ2 LYS 6 6.616 7.414 1.978 50 HZ3 LYS 6 HZ3 LYS 6 6.100 8.035 0.492 51 H VAL 7 H VAL 7 11.119 2.848 -0.690 52 HA VAL 7 HA VAL 7 12.988 4.702 0.269 53 HB VAL 7 HB VAL 7 14.057 2.807 1.413 54 HG11 VAL 7 HG11 VAL 7 11.246 3.498 1.557 55 HG12 VAL 7 HG12 VAL 7 11.561 1.869 2.160 56 HG13 VAL 7 HG13 VAL 7 12.415 3.248 2.854 57 HG21 VAL 7 HG21 VAL 7 13.757 1.225 -0.525 58 HG22 VAL 7 HG22 VAL 7 13.404 0.551 1.066 59 HG23 VAL 7 HG23 VAL 7 12.084 1.027 -0.003 60 H VAL 8 H VAL 8 13.090 2.553 -2.435 61 HA VAL 8 HA VAL 8 15.946 2.519 -2.712 62 HB VAL 8 HB VAL 8 13.771 1.803 -4.682 63 HG11 VAL 8 HG11 VAL 8 15.472 2.064 -6.152 64 HG12 VAL 8 HG12 VAL 8 16.716 1.890 -4.913 65 HG13 VAL 8 HG13 VAL 8 15.914 0.461 -5.566 66 HG21 VAL 8 HG21 VAL 8 13.683 -0.210 -3.727 67 HG22 VAL 8 HG22 VAL 8 15.441 -0.343 -3.672 68 HG23 VAL 8 HG23 VAL 8 14.579 0.492 -2.380 69 H GLN 9 H GLN 9 13.377 4.617 -3.699 70 HA GLN 9 HA GLN 9 14.559 5.867 -5.909 71 HB2 GLN 9 HB2 GLN 9 12.644 6.977 -3.852 72 HB3 GLN 9 HB3 GLN 9 13.052 7.777 -5.365 73 HG2 GLN 9 HG2 GLN 9 11.769 5.064 -5.142 74 HG3 GLN 9 HG3 GLN 9 10.909 6.572 -5.448 75 HE21 GLN 9 HE21 GLN 9 11.442 4.015 -7.012 76 HE22 GLN 9 HE22 GLN 9 11.961 4.581 -8.559 77 H LEU 10 H LEU 10 15.138 6.195 -2.501 78 HA LEU 10 HA LEU 10 16.555 8.688 -2.709 79 HB2 LEU 10 HB2 LEU 10 16.088 6.684 -0.540 80 HB3 LEU 10 HB3 LEU 10 17.319 7.930 -0.339 81 HG LEU 10 HG LEU 10 15.257 8.586 0.751 82 HD11 LEU 10 HD11 LEU 10 16.747 10.231 -0.533 83 HD12 LEU 10 HD12 LEU 10 15.135 10.767 -0.059 84 HD13 LEU 10 HD13 LEU 10 15.444 10.269 -1.722 85 HD21 LEU 10 HD21 LEU 10 13.182 8.737 -0.296 86 HD22 LEU 10 HD22 LEU 10 13.840 7.217 -0.901 87 HD23 LEU 10 HD23 LEU 10 13.883 8.662 -1.912 88 H LEU 11 H LEU 11 17.308 5.384 -3.175 89 HA LEU 11 HA LEU 11 20.146 5.686 -2.695 90 HB2 LEU 11 HB2 LEU 11 18.376 3.451 -3.600 91 HB3 LEU 11 HB3 LEU 11 20.123 3.335 -3.799 92 HG LEU 11 HG LEU 11 19.430 2.172 -1.796 93 HD11 LEU 11 HD11 LEU 11 21.454 3.994 -1.957 94 HD12 LEU 11 HD12 LEU 11 21.217 2.850 -0.636 95 HD13 LEU 11 HD13 LEU 11 20.616 4.502 -0.490 96 HD21 LEU 11 HD21 LEU 11 17.430 3.902 -1.559 97 HD22 LEU 11 HD22 LEU 11 18.565 4.670 -0.449 98 HD23 LEU 11 HD23 LEU 11 18.060 3.001 -0.180 99 H ALA 12 H ALA 12 19.636 7.588 -4.432 100 HA ALA 12 HA ALA 12 20.529 6.518 -7.030 101 HB1 ALA 12 HB1 ALA 12 19.132 7.881 -8.176 102 HB2 ALA 12 HB2 ALA 12 18.187 7.765 -6.691 103 HB3 ALA 12 HB3 ALA 12 19.220 9.167 -6.972 104 H LYS 13 H LYS 13 20.624 9.388 -4.926 105 HA LYS 13 HA LYS 13 22.802 10.608 -6.277 106 HB2 LYS 13 HB2 LYS 13 22.880 12.136 -4.388 107 HB3 LYS 13 HB3 LYS 13 21.211 11.867 -4.874 108 HG2 LYS 13 HG2 LYS 13 22.115 10.018 -2.814 109 HG3 LYS 13 HG3 LYS 13 22.188 11.711 -2.320 110 HD2 LYS 13 HD2 LYS 13 19.740 10.653 -3.675 111 HD3 LYS 13 HD3 LYS 13 19.998 10.345 -1.956 112 HE2 LYS 13 HE2 LYS 13 20.347 13.127 -2.936 113 HE3 LYS 13 HE3 LYS 13 18.705 12.493 -2.836 114 HZ1 LYS 13 HZ1 LYS 13 18.749 12.949 -0.684 115 HZ2 LYS 13 HZ2 LYS 13 20.372 13.419 -0.756 116 HZ3 LYS 13 HZ3 LYS 13 19.973 11.800 -0.471 117 H TYR 14 H TYR 14 22.586 8.073 -3.983 118 HA TYR 14 HA TYR 14 25.217 8.372 -2.881 119 HB2 TYR 14 HB2 TYR 14 23.267 6.063 -2.839 120 HB3 TYR 14 HB3 TYR 14 24.798 6.074 -1.972 121 HD1 TYR 14 HD2 TYR 14 24.991 8.641 -0.751 122 HD2 TYR 14 HD1 TYR 14 21.514 6.264 -1.356 123 HE1 TYR 14 HE2 TYR 14 23.906 9.754 1.155 124 HE2 TYR 14 HE1 TYR 14 20.419 7.371 0.548 125 HH TYR 14 HH TYR 14 20.719 9.737 1.722 126 H GLY 15 H GLY 15 23.765 6.558 -5.519 127 HA2 GLY 15 HA2 GLY 15 25.369 6.236 -7.421 128 HA3 GLY 15 HA3 GLY 15 26.455 5.554 -6.219 129 H SER 16 H SER 16 26.369 3.768 -7.869 130 HA SER 16 HA SER 16 23.965 2.114 -7.660 131 HB2 SER 16 HB2 SER 16 26.368 2.058 -9.476 132 HB3 SER 16 HB3 SER 16 25.259 0.691 -9.377 133 HG SER 16 HG SER 16 24.384 1.886 -10.943 134 H LYS 17 H LYS 17 25.908 2.507 -5.451 135 HA LYS 17 HA LYS 17 26.793 -0.285 -5.119 136 HB2 LYS 17 HB2 LYS 17 28.597 1.450 -5.131 137 HB3 LYS 17 HB3 LYS 17 27.865 2.157 -3.696 138 HG2 LYS 17 HG2 LYS 17 28.222 0.029 -2.503 139 HG3 LYS 17 HG3 LYS 17 29.035 -0.607 -3.934 140 HD2 LYS 17 HD2 LYS 17 30.682 0.180 -2.350 141 HD3 LYS 17 HD3 LYS 17 30.683 1.228 -3.771 142 HE2 LYS 17 HE2 LYS 17 29.778 2.999 -2.634 143 HE3 LYS 17 HE3 LYS 17 28.947 1.967 -1.471 144 HZ1 LYS 17 HZ1 LYS 17 30.684 2.005 -0.093 145 HZ2 LYS 17 HZ2 LYS 17 31.223 3.336 -0.987 146 HZ3 LYS 17 HZ3 LYS 17 31.816 1.789 -1.333 147 H ALA 18 H ALA 18 25.255 2.473 -3.541 148 HA ALA 18 HA ALA 18 24.666 0.999 -1.138 149 HB1 ALA 18 HB1 ALA 18 23.416 3.607 -1.951 150 HB2 ALA 18 HB2 ALA 18 23.683 2.974 -0.327 151 HB3 ALA 18 HB3 ALA 18 25.053 3.507 -1.301 152 H VAL 19 H VAL 19 23.132 1.577 -4.183 153 HA VAL 19 HA VAL 19 20.469 0.948 -3.322 154 HB VAL 19 HB VAL 19 20.964 2.352 -5.325 155 HG11 VAL 19 HG11 VAL 19 21.763 1.443 -7.335 156 HG12 VAL 19 HG12 VAL 19 22.833 0.793 -6.091 157 HG13 VAL 19 HG13 VAL 19 21.553 -0.214 -6.769 158 HG21 VAL 19 HG21 VAL 19 18.825 1.846 -5.684 159 HG22 VAL 19 HG22 VAL 19 19.388 0.585 -6.781 160 HG23 VAL 19 HG23 VAL 19 19.047 0.199 -5.095 161 H GLN 20 H GLN 20 23.207 -0.836 -4.535 162 HA GLN 20 HA GLN 20 21.923 -3.172 -5.384 163 HB2 GLN 20 HB2 GLN 20 24.421 -2.422 -5.557 164 HB3 GLN 20 HB3 GLN 20 24.592 -3.267 -4.024 165 HG2 GLN 20 HG2 GLN 20 25.190 -4.658 -5.956 166 HG3 GLN 20 HG3 GLN 20 23.854 -5.326 -5.019 167 HE21 GLN 20 HE21 GLN 20 22.453 -6.266 -6.307 168 HE22 GLN 20 HE22 GLN 20 21.911 -5.672 -7.836 169 H TRP 21 H TRP 21 22.957 -2.124 -2.186 170 HA TRP 21 HA TRP 21 22.682 -4.499 -0.779 171 HB2 TRP 21 HB2 TRP 21 23.549 -2.236 0.047 172 HB3 TRP 21 HB3 TRP 21 21.862 -1.822 0.339 173 HD1 TRP 21 HD1 TRP 21 24.230 -4.753 1.319 174 HE1 TRP 21 HE1 TRP 21 23.724 -5.384 3.763 175 HE3 TRP 21 HE3 TRP 21 20.436 -1.452 2.241 176 HZ2 TRP 21 HZ2 TRP 21 21.951 -4.588 5.810 177 HZ3 TRP 21 HZ3 TRP 21 19.388 -1.452 4.467 178 HH2 TRP 21 HH2 TRP 21 20.131 -2.988 6.213 179 H ALA 22 H ALA 22 20.232 -1.909 -0.980 180 HA ALA 22 HA ALA 22 18.139 -3.250 0.215 181 HB1 ALA 22 HB1 ALA 22 17.975 -0.908 -0.259 182 HB2 ALA 22 HB2 ALA 22 18.062 -1.205 -1.996 183 HB3 ALA 22 HB3 ALA 22 16.650 -1.734 -1.081 184 H TRP 23 H TRP 23 18.896 -3.112 -3.264 185 HA TRP 23 HA TRP 23 16.817 -4.750 -4.149 186 HB2 TRP 23 HB2 TRP 23 19.476 -3.952 -5.241 187 HB3 TRP 23 HB3 TRP 23 18.625 -5.282 -6.022 188 HD1 TRP 23 HD1 TRP 23 18.810 -1.579 -5.978 189 HE1 TRP 23 HE1 TRP 23 16.913 -0.571 -7.396 190 HE3 TRP 23 HE3 TRP 23 15.946 -5.769 -6.601 191 HZ2 TRP 23 HZ2 TRP 23 14.520 -1.437 -8.617 192 HZ3 TRP 23 HZ3 TRP 23 13.868 -5.593 -7.907 193 HH2 TRP 23 HH2 TRP 23 13.171 -3.471 -8.892 194 H ALA 24 H ALA 24 19.864 -5.539 -2.664 195 HA ALA 24 HA ALA 24 19.784 -8.326 -3.376 196 HB1 ALA 24 HB1 ALA 24 21.952 -7.919 -2.994 197 HB2 ALA 24 HB2 ALA 24 21.610 -6.540 -1.948 198 HB3 ALA 24 HB3 ALA 24 21.542 -8.178 -1.298 199 H ASN 25 H ASN 25 19.849 -6.824 -0.143 200 HA ASN 25 HA ASN 25 18.816 -9.023 1.218 201 HB2 ASN 25 HB2 ASN 25 19.000 -6.097 1.830 202 HB3 ASN 25 HB3 ASN 25 18.081 -7.145 2.907 203 HD21 ASN 25 HD21 ASN 25 21.175 -6.129 1.889 204 HD22 ASN 25 HD22 ASN 25 22.104 -7.117 2.960 205 H LYS 26 H LYS 26 16.900 -9.958 1.056 206 HA LYS 26 HA LYS 26 14.553 -8.274 0.469 207 HB2 LYS 26 HB2 LYS 26 13.578 -10.364 -0.572 208 HB3 LYS 26 HB3 LYS 26 14.907 -9.621 -1.452 209 HG2 LYS 26 HG2 LYS 26 16.442 -11.279 -0.417 210 HG3 LYS 26 HG3 LYS 26 15.033 -12.069 0.294 211 HD2 LYS 26 HD2 LYS 26 15.260 -11.574 -2.662 212 HD3 LYS 26 HD3 LYS 26 15.930 -13.019 -1.902 213 HE2 LYS 26 HE2 LYS 26 13.759 -13.667 -1.099 214 HE3 LYS 26 HE3 LYS 26 13.053 -12.152 -1.659 215 HZ1 LYS 26 HZ1 LYS 26 13.923 -12.945 -3.946 216 HZ2 LYS 26 HZ2 LYS 26 12.490 -13.600 -3.332 217 HZ3 LYS 26 HZ3 LYS 26 13.932 -14.478 -3.230 218 H GLY 27 H GLY 27 14.695 -8.169 2.932 219 HA2 GLY 27 HA2 GLY 27 12.582 -9.542 4.073 220 HA3 GLY 27 HA3 GLY 27 14.020 -10.477 4.456 221 H LYS 28 H LYS 28 15.915 -8.830 5.132 222 HA LYS 28 HA LYS 28 15.325 -7.954 7.684 223 HB2 LYS 28 HB2 LYS 28 17.606 -8.334 6.988 224 HB3 LYS 28 HB3 LYS 28 17.505 -7.039 5.802 225 HG2 LYS 28 HG2 LYS 28 18.745 -6.238 7.668 226 HG3 LYS 28 HG3 LYS 28 17.173 -5.436 7.679 227 HD2 LYS 28 HD2 LYS 28 16.377 -6.956 9.393 228 HD3 LYS 28 HD3 LYS 28 17.898 -7.851 9.339 229 HE2 LYS 28 HE2 LYS 28 17.825 -4.916 9.959 230 HE3 LYS 28 HE3 LYS 28 17.566 -6.126 11.214 231 HZ1 LYS 28 HZ1 LYS 28 19.960 -6.033 9.462 232 HZ2 LYS 28 HZ2 LYS 28 19.717 -7.041 10.799 233 HZ3 LYS 28 HZ3 LYS 28 19.896 -5.374 11.019 234 H ILE 29 H ILE 29 15.339 -6.116 4.661 235 HA ILE 29 HA ILE 29 14.677 -3.636 5.954 236 HB ILE 29 HB ILE 29 14.552 -4.357 3.023 237 HG12 ILE 29 HG12 ILE 29 16.722 -2.983 4.623 238 HG13 ILE 29 HG13 ILE 29 16.810 -4.610 3.958 239 HG21 ILE 29 HG21 ILE 29 13.711 -2.337 2.659 240 HG22 ILE 29 HG22 ILE 29 13.585 -2.100 4.401 241 HG23 ILE 29 HG23 ILE 29 15.041 -1.592 3.545 242 HD11 ILE 29 HD11 ILE 29 16.846 -1.989 2.517 243 HD12 ILE 29 HD12 ILE 29 18.018 -3.307 2.462 244 HD13 ILE 29 HD13 ILE 29 16.444 -3.493 1.688 245 H LEU 30 H LEU 30 12.931 -6.066 4.060 246 HA LEU 30 HA LEU 30 10.481 -4.775 3.830 247 HB2 LEU 30 HB2 LEU 30 11.342 -7.624 3.884 248 HB3 LEU 30 HB3 LEU 30 9.620 -7.262 3.972 249 HG LEU 30 HG LEU 30 10.329 -7.777 1.690 250 HD11 LEU 30 HD11 LEU 30 8.687 -6.424 1.077 251 HD12 LEU 30 HD12 LEU 30 9.803 -5.059 1.092 252 HD13 LEU 30 HD13 LEU 30 8.903 -5.477 2.549 253 HD21 LEU 30 HD21 LEU 30 12.663 -6.831 2.052 254 HD22 LEU 30 HD22 LEU 30 11.953 -5.249 1.734 255 HD23 LEU 30 HD23 LEU 30 11.902 -6.504 0.495 256 H ASP 31 H ASP 31 11.964 -6.274 6.576 257 HA ASP 31 HA ASP 31 9.569 -6.571 8.116 258 HB2 ASP 31 HB2 ASP 31 12.504 -6.760 8.700 259 HB3 ASP 31 HB3 ASP 31 11.350 -6.699 10.030 260 H TRP 32 H TRP 32 12.125 -4.145 7.886 261 HA TRP 32 HA TRP 32 11.504 -2.544 10.047 262 HB2 TRP 32 HB2 TRP 32 12.579 -1.879 7.314 263 HB3 TRP 32 HB3 TRP 32 12.352 -0.637 8.541 264 HD1 TRP 32 HD1 TRP 32 13.333 -2.734 10.947 265 HE1 TRP 32 HE1 TRP 32 15.871 -3.062 11.216 266 HE3 TRP 32 HE3 TRP 32 14.852 -1.123 6.339 267 HZ2 TRP 32 HZ2 TRP 32 18.209 -2.686 9.679 268 HZ3 TRP 32 HZ3 TRP 32 17.256 -1.139 5.818 269 HH2 TRP 32 HH2 TRP 32 18.898 -1.904 7.455 270 H LEU 33 H LEU 33 10.088 -2.483 6.794 271 HA LEU 33 HA LEU 33 8.453 -0.271 7.027 272 HB2 LEU 33 HB2 LEU 33 7.933 -2.873 5.601 273 HB3 LEU 33 HB3 LEU 33 6.971 -1.412 5.382 274 HG LEU 33 HG LEU 33 9.923 -1.490 4.814 275 HD11 LEU 33 HD11 LEU 33 8.641 -1.508 2.379 276 HD12 LEU 33 HD12 LEU 33 7.746 -2.702 3.318 277 HD13 LEU 33 HD13 LEU 33 9.490 -2.866 3.117 278 HD21 LEU 33 HD21 LEU 33 8.483 0.662 5.124 279 HD22 LEU 33 HD22 LEU 33 7.896 0.271 3.508 280 HD23 LEU 33 HD23 LEU 33 9.617 0.545 3.778 281 H ASN 34 H ASN 34 7.848 -3.589 8.094 282 HA ASN 34 HA ASN 34 5.180 -3.150 8.940 283 HB2 ASN 34 HB2 ASN 34 7.219 -5.254 9.670 284 HB3 ASN 34 HB3 ASN 34 5.567 -5.268 10.280 285 HD21 ASN 34 HD21 ASN 34 7.578 -6.363 7.898 286 HD22 ASN 34 HD22 ASN 34 6.396 -6.811 6.720 287 H ALA 35 H ALA 35 8.297 -2.726 10.466 288 HA ALA 35 HA ALA 35 7.002 -2.027 13.005 289 HB1 ALA 35 HB1 ALA 35 9.846 -2.687 12.292 290 HB2 ALA 35 HB2 ALA 35 9.395 -1.993 13.850 291 HB3 ALA 35 HB3 ALA 35 8.751 -3.562 13.364 292 H GLY 36 H GLY 36 7.040 -0.344 10.530 293 HA2 GLY 36 HA2 GLY 36 7.011 2.158 11.418 294 HA3 GLY 36 HA3 GLY 36 8.745 1.895 11.294 295 H GLN 37 H GLN 37 5.738 2.103 9.495 296 HA GLN 37 HA GLN 37 6.943 1.827 6.923 297 HB2 GLN 37 HB2 GLN 37 4.278 3.038 7.680 298 HB3 GLN 37 HB3 GLN 37 4.773 2.575 6.057 299 HG2 GLN 37 HG2 GLN 37 4.829 0.261 6.666 300 HG3 GLN 37 HG3 GLN 37 4.543 0.655 8.360 301 HE21 GLN 37 HE21 GLN 37 3.118 0.839 5.141 302 HE22 GLN 37 HE22 GLN 37 1.475 0.747 5.666 303 H ALA 38 H ALA 38 8.710 3.340 7.168 304 HA ALA 38 HA ALA 38 7.931 6.013 6.301 305 HB1 ALA 38 HB1 ALA 38 9.678 6.968 7.912 306 HB2 ALA 38 HB2 ALA 38 8.116 6.493 8.581 307 HB3 ALA 38 HB3 ALA 38 9.518 5.442 8.783 308 H ILE 39 H ILE 39 10.227 7.287 6.067 309 HA ILE 39 HA ILE 39 11.977 5.469 4.542 310 HB ILE 39 HB ILE 39 11.486 8.371 3.882 311 HG12 ILE 39 HG12 ILE 39 10.337 7.100 1.831 312 HG13 ILE 39 HG13 ILE 39 10.041 5.895 3.079 313 HG21 ILE 39 HG21 ILE 39 12.715 6.185 2.215 314 HG22 ILE 39 HG22 ILE 39 12.638 7.905 1.838 315 HG23 ILE 39 HG23 ILE 39 13.642 7.339 3.173 316 HD11 ILE 39 HD11 ILE 39 8.183 7.075 3.451 317 HD12 ILE 39 HD12 ILE 39 9.252 8.165 4.334 318 HD13 ILE 39 HD13 ILE 39 8.820 8.518 2.662 319 H ASP 40 H ASP 40 11.856 8.569 6.279 320 HA ASP 40 HA ASP 40 14.592 9.065 6.408 321 HB2 ASP 40 HB2 ASP 40 14.101 10.690 8.009 322 HB3 ASP 40 HB3 ASP 40 12.580 10.538 7.133 323 H TRP 41 H TRP 41 12.638 6.802 8.158 324 HA TRP 41 HA TRP 41 14.647 6.329 10.192 325 HB2 TRP 41 HB2 TRP 41 12.128 6.169 10.560 326 HB3 TRP 41 HB3 TRP 41 12.193 4.656 9.659 327 HD1 TRP 41 HD1 TRP 41 13.122 6.181 13.024 328 HE1 TRP 41 HE1 TRP 41 13.772 4.290 14.644 329 HE3 TRP 41 HE3 TRP 41 13.202 2.278 9.724 330 HZ2 TRP 41 HZ2 TRP 41 14.256 1.511 14.537 331 HZ3 TRP 41 HZ3 TRP 41 13.769 0.035 10.563 332 HH2 TRP 41 HH2 TRP 41 14.285 -0.338 12.920 333 H VAL 42 H VAL 42 13.730 5.054 7.111 334 HA VAL 42 HA VAL 42 15.079 2.531 7.439 335 HB VAL 42 HB VAL 42 14.053 3.872 4.933 336 HG11 VAL 42 HG11 VAL 42 15.625 1.474 5.361 337 HG12 VAL 42 HG12 VAL 42 14.101 1.132 4.540 338 HG13 VAL 42 HG13 VAL 42 15.225 2.309 3.860 339 HG21 VAL 42 HG21 VAL 42 12.831 1.822 6.771 340 HG22 VAL 42 HG22 VAL 42 12.225 3.437 6.406 341 HG23 VAL 42 HG23 VAL 42 12.213 2.188 5.161 342 H VAL 43 H VAL 43 15.728 5.573 5.729 343 HA VAL 43 HA VAL 43 18.179 4.784 4.581 344 HB VAL 43 HB VAL 43 17.342 7.584 5.344 345 HG11 VAL 43 HG11 VAL 43 19.551 7.812 4.766 346 HG12 VAL 43 HG12 VAL 43 19.514 6.445 3.651 347 HG13 VAL 43 HG13 VAL 43 18.784 7.983 3.188 348 HG21 VAL 43 HG21 VAL 43 15.654 6.404 3.967 349 HG22 VAL 43 HG22 VAL 43 16.387 7.776 3.137 350 HG23 VAL 43 HG23 VAL 43 16.889 6.133 2.738 351 H SER 44 H SER 44 17.353 6.164 7.702 352 HA SER 44 HA SER 44 19.985 6.821 8.507 353 HB2 SER 44 HB2 SER 44 17.387 6.401 9.948 354 HB3 SER 44 HB3 SER 44 18.880 6.582 10.868 355 HG SER 44 HG SER 44 19.198 8.572 9.693 356 H LYS 45 H LYS 45 18.306 3.847 8.258 357 HA LYS 45 HA LYS 45 20.124 2.473 10.086 358 HB2 LYS 45 HB2 LYS 45 17.782 1.416 8.491 359 HB3 LYS 45 HB3 LYS 45 18.710 0.501 9.672 360 HG2 LYS 45 HG2 LYS 45 17.503 3.041 10.589 361 HG3 LYS 45 HG3 LYS 45 16.408 1.696 10.257 362 HD2 LYS 45 HD2 LYS 45 16.875 1.188 12.416 363 HD3 LYS 45 HD3 LYS 45 18.271 0.398 11.678 364 HE2 LYS 45 HE2 LYS 45 19.289 1.634 13.324 365 HE3 LYS 45 HE3 LYS 45 19.374 2.755 11.966 366 HZ1 LYS 45 HZ1 LYS 45 17.880 4.146 12.901 367 HZ2 LYS 45 HZ2 LYS 45 18.449 3.453 14.334 368 HZ3 LYS 45 HZ3 LYS 45 17.001 2.910 13.650 369 H ILE 46 H ILE 46 20.838 3.650 7.381 370 HA ILE 46 HA ILE 46 21.844 1.188 6.116 371 HB ILE 46 HB ILE 46 21.500 3.918 4.870 372 HG12 ILE 46 HG12 ILE 46 19.907 1.371 4.509 373 HG13 ILE 46 HG13 ILE 46 19.350 2.829 5.323 374 HG21 ILE 46 HG21 ILE 46 21.778 1.770 3.001 375 HG22 ILE 46 HG22 ILE 46 22.772 3.213 3.194 376 HG23 ILE 46 HG23 ILE 46 23.140 1.759 4.122 377 HD11 ILE 46 HD11 ILE 46 19.537 4.056 3.208 378 HD12 ILE 46 HD12 ILE 46 20.036 2.566 2.407 379 HD13 ILE 46 HD13 ILE 46 18.421 2.694 3.103 380 H LYS 47 H LYS 47 22.713 4.433 7.187 381 HA LYS 47 HA LYS 47 25.411 4.379 6.374 382 HB2 LYS 47 HB2 LYS 47 25.729 6.236 7.929 383 HB3 LYS 47 HB3 LYS 47 24.250 6.448 7.001 384 HG2 LYS 47 HG2 LYS 47 23.652 5.039 9.412 385 HG3 LYS 47 HG3 LYS 47 24.572 6.496 9.793 386 HD2 LYS 47 HD2 LYS 47 22.891 7.590 8.079 387 HD3 LYS 47 HD3 LYS 47 21.887 6.211 8.534 388 HE2 LYS 47 HE2 LYS 47 21.463 7.049 10.572 389 HE3 LYS 47 HE3 LYS 47 23.128 7.578 10.803 390 HZ1 LYS 47 HZ1 LYS 47 21.644 9.461 10.752 391 HZ2 LYS 47 HZ2 LYS 47 21.044 9.002 9.239 392 HZ3 LYS 47 HZ3 LYS 47 22.653 9.501 9.395 393 H GLN 48 H GLN 48 23.758 2.869 8.987 394 HA GLN 48 HA GLN 48 26.159 2.434 10.552 395 HB2 GLN 48 HB2 GLN 48 24.679 1.184 12.067 396 HB3 GLN 48 HB3 GLN 48 24.053 2.791 11.723 397 HG2 GLN 48 HG2 GLN 48 22.326 1.980 10.411 398 HG3 GLN 48 HG3 GLN 48 23.130 0.435 10.135 399 HE21 GLN 48 HE21 GLN 48 21.948 2.391 12.852 400 HE22 GLN 48 HE22 GLN 48 21.233 1.074 13.711 401 H ILE 49 H ILE 49 24.341 0.828 8.101 402 HA ILE 49 HA ILE 49 25.495 -1.777 8.649 403 HB ILE 49 HB ILE 49 23.880 -0.952 6.238 404 HG12 ILE 49 HG12 ILE 49 22.626 -0.469 8.294 405 HG13 ILE 49 HG13 ILE 49 21.919 -1.827 7.426 406 HG21 ILE 49 HG21 ILE 49 23.456 -3.637 7.009 407 HG22 ILE 49 HG22 ILE 49 24.242 -3.030 5.553 408 HG23 ILE 49 HG23 ILE 49 25.198 -3.361 6.997 409 HD11 ILE 49 HD11 ILE 49 21.971 -2.932 9.343 410 HD12 ILE 49 HD12 ILE 49 23.727 -2.987 9.178 411 HD13 ILE 49 HD13 ILE 49 22.968 -1.693 10.105 412 H LEU 50 H LEU 50 25.370 0.161 5.658 413 HA LEU 50 HA LEU 50 27.810 -1.041 4.712 414 HB2 LEU 50 HB2 LEU 50 26.335 1.285 3.502 415 HB3 LEU 50 HB3 LEU 50 27.451 0.180 2.702 416 HG LEU 50 HG LEU 50 24.797 -0.704 3.815 417 HD11 LEU 50 HD11 LEU 50 25.030 -0.423 0.915 418 HD12 LEU 50 HD12 LEU 50 25.039 1.108 1.790 419 HD13 LEU 50 HD13 LEU 50 23.696 -0.016 1.994 420 HD21 LEU 50 HD21 LEU 50 25.922 -2.643 3.457 421 HD22 LEU 50 HD22 LEU 50 26.988 -1.934 2.244 422 HD23 LEU 50 HD23 LEU 50 25.335 -2.377 1.815 423 H GLY 51 H GLY 51 26.828 2.352 5.261 424 HA2 GLY 51 HA2 GLY 51 28.234 3.745 6.703 425 HA3 GLY 51 HA3 GLY 51 29.625 2.904 6.035 426 H ILE 52 H ILE 52 26.871 4.912 5.008 427 HA ILE 52 HA ILE 52 28.582 6.032 2.894 428 HB ILE 52 HB ILE 52 26.423 5.003 2.184 429 HG12 ILE 52 HG12 ILE 52 25.862 7.744 1.440 430 HG13 ILE 52 HG13 ILE 52 27.592 7.425 1.395 431 HG21 ILE 52 HG21 ILE 52 24.879 7.323 3.141 432 HG22 ILE 52 HG22 ILE 52 24.406 5.633 2.973 433 HG23 ILE 52 HG23 ILE 52 25.349 6.149 4.370 434 HD11 ILE 52 HD11 ILE 52 26.621 7.016 -0.766 435 HD12 ILE 52 HD12 ILE 52 27.163 5.491 -0.064 436 HD13 ILE 52 HD13 ILE 52 25.448 5.902 -0.064 437 H LYS 53 H LYS 53 28.933 8.208 2.736 438 HA LYS 53 HA LYS 53 28.616 9.751 5.128 439 HB2 LYS 53 HB2 LYS 53 29.587 10.619 2.399 440 HB3 LYS 53 HB3 LYS 53 29.785 11.514 3.900 441 HG2 LYS 53 HG2 LYS 53 31.071 9.498 4.755 442 HG3 LYS 53 HG3 LYS 53 31.090 8.939 3.081 443 HD2 LYS 53 HD2 LYS 53 31.981 11.366 2.617 444 HD3 LYS 53 HD3 LYS 53 32.444 11.292 4.319 445 HE2 LYS 53 HE2 LYS 53 33.171 9.131 2.360 446 HE3 LYS 53 HE3 LYS 53 34.180 10.556 2.603 447 HZ1 LYS 53 HZ1 LYS 53 35.075 9.547 4.339 448 HZ2 LYS 53 HZ2 LYS 53 34.043 8.219 4.161 449 HZ3 LYS 53 HZ3 LYS 53 33.572 9.532 5.117 Start of MODEL 11 1 H1 MET 1 H MET 1 0.637 -0.928 0.511 2 HA MET 1 HA MET 1 1.818 0.504 -1.724 3 HB2 MET 1 HB2 MET 1 1.741 0.890 1.240 4 HB3 MET 1 HB3 MET 1 3.001 1.686 0.307 5 HG2 MET 1 HG2 MET 1 1.321 3.277 0.450 6 HG3 MET 1 HG3 MET 1 1.102 2.576 -1.152 7 HE1 MET 1 HE1 MET 1 -0.972 3.175 -1.716 8 HE2 MET 1 HE2 MET 1 -1.488 1.494 -1.859 9 HE3 MET 1 HE3 MET 1 -2.512 2.663 -1.024 10 H ALA 2 H ALA 2 3.855 0.273 -2.449 11 HA ALA 2 HA ALA 2 5.512 -1.784 -1.161 12 HB1 ALA 2 HB1 ALA 2 6.751 -1.541 -3.463 13 HB2 ALA 2 HB2 ALA 2 5.270 -2.489 -3.328 14 HB3 ALA 2 HB3 ALA 2 5.211 -0.848 -3.972 15 H GLY 3 H GLY 3 6.197 -0.204 0.461 16 HA2 GLY 3 HA2 GLY 3 7.596 2.157 -0.197 17 HA3 GLY 3 HA3 GLY 3 7.697 1.299 1.333 18 H PHE 4 H PHE 4 8.547 -1.153 -0.278 19 HA PHE 4 HA PHE 4 11.274 -1.013 0.181 20 HB2 PHE 4 HB2 PHE 4 10.252 -3.154 -0.094 21 HB3 PHE 4 HB3 PHE 4 9.689 -2.749 -1.712 22 HD1 PHE 4 HD1 PHE 4 12.579 -3.718 0.314 23 HD2 PHE 4 HD2 PHE 4 11.164 -2.856 -3.607 24 HE1 PHE 4 HE1 PHE 4 14.621 -4.709 -0.637 25 HE2 PHE 4 HE2 PHE 4 13.203 -3.846 -4.564 26 HZ PHE 4 HZ PHE 4 14.934 -4.775 -3.079 27 H LEU 5 H LEU 5 9.487 -0.392 -2.814 28 HA LEU 5 HA LEU 5 11.842 0.156 -4.347 29 HB2 LEU 5 HB2 LEU 5 8.902 0.482 -4.807 30 HB3 LEU 5 HB3 LEU 5 10.069 1.173 -5.932 31 HG LEU 5 HG LEU 5 10.511 -1.663 -5.333 32 HD11 LEU 5 HD11 LEU 5 8.629 -2.254 -6.978 33 HD12 LEU 5 HD12 LEU 5 7.930 -0.703 -6.515 34 HD13 LEU 5 HD13 LEU 5 8.201 -1.947 -5.295 35 HD21 LEU 5 HD21 LEU 5 11.278 -1.706 -7.470 36 HD22 LEU 5 HD22 LEU 5 11.436 0.026 -7.172 37 HD23 LEU 5 HD23 LEU 5 10.041 -0.594 -8.057 38 H LYS 6 H LYS 6 9.745 1.988 -2.298 39 HA LYS 6 HA LYS 6 10.516 4.561 -3.331 40 HB2 LYS 6 HB2 LYS 6 8.359 3.796 -1.981 41 HB3 LYS 6 HB3 LYS 6 9.352 4.254 -0.603 42 HG2 LYS 6 HG2 LYS 6 9.715 6.450 -1.976 43 HG3 LYS 6 HG3 LYS 6 8.223 5.948 -2.776 44 HD2 LYS 6 HD2 LYS 6 8.529 6.196 0.214 45 HD3 LYS 6 HD3 LYS 6 7.900 7.481 -0.821 46 HE2 LYS 6 HE2 LYS 6 6.730 4.708 -0.621 47 HE3 LYS 6 HE3 LYS 6 6.132 6.112 0.262 48 HZ1 LYS 6 HZ1 LYS 6 4.848 5.716 -1.743 49 HZ2 LYS 6 HZ2 LYS 6 6.240 5.847 -2.695 50 HZ3 LYS 6 HZ3 LYS 6 5.665 7.194 -1.848 51 H VAL 7 H VAL 7 11.703 2.340 -0.962 52 HA VAL 7 HA VAL 7 13.397 4.344 0.306 53 HB VAL 7 HB VAL 7 14.128 2.533 1.783 54 HG11 VAL 7 HG11 VAL 7 11.342 3.349 1.446 55 HG12 VAL 7 HG12 VAL 7 11.543 1.860 2.372 56 HG13 VAL 7 HG13 VAL 7 12.355 3.338 2.889 57 HG21 VAL 7 HG21 VAL 7 13.975 0.739 0.052 58 HG22 VAL 7 HG22 VAL 7 13.280 0.302 1.613 59 HG23 VAL 7 HG23 VAL 7 12.225 0.749 0.273 60 H VAL 8 H VAL 8 13.555 2.779 -2.506 61 HA VAL 8 HA VAL 8 16.468 2.352 -2.347 62 HB VAL 8 HB VAL 8 14.490 1.094 -4.254 63 HG11 VAL 8 HG11 VAL 8 16.427 1.291 -5.516 64 HG12 VAL 8 HG12 VAL 8 17.481 1.054 -4.121 65 HG13 VAL 8 HG13 VAL 8 16.590 -0.311 -4.797 66 HG21 VAL 8 HG21 VAL 8 14.396 -0.686 -2.903 67 HG22 VAL 8 HG22 VAL 8 16.130 -0.647 -2.585 68 HG23 VAL 8 HG23 VAL 8 15.041 0.384 -1.658 69 H GLN 9 H GLN 9 13.865 3.968 -3.981 70 HA GLN 9 HA GLN 9 15.338 4.830 -6.255 71 HB2 GLN 9 HB2 GLN 9 13.470 6.200 -6.765 72 HB3 GLN 9 HB3 GLN 9 12.819 4.734 -6.044 73 HG2 GLN 9 HG2 GLN 9 12.525 5.881 -3.925 74 HG3 GLN 9 HG3 GLN 9 13.231 7.346 -4.606 75 HE21 GLN 9 HE21 GLN 9 12.107 8.035 -6.714 76 HE22 GLN 9 HE22 GLN 9 10.380 8.038 -6.668 77 H LEU 10 H LEU 10 15.048 5.959 -2.995 78 HA LEU 10 HA LEU 10 15.991 8.616 -3.493 79 HB2 LEU 10 HB2 LEU 10 16.003 7.087 -0.898 80 HB3 LEU 10 HB3 LEU 10 16.111 8.835 -1.100 81 HG LEU 10 HG LEU 10 13.706 7.093 -1.629 82 HD11 LEU 10 HD11 LEU 10 14.434 9.080 0.497 83 HD12 LEU 10 HD12 LEU 10 13.865 7.421 0.679 84 HD13 LEU 10 HD13 LEU 10 12.755 8.678 0.134 85 HD21 LEU 10 HD21 LEU 10 14.430 9.620 -2.759 86 HD22 LEU 10 HD22 LEU 10 13.038 9.827 -1.695 87 HD23 LEU 10 HD23 LEU 10 12.973 8.660 -3.018 88 H LEU 11 H LEU 11 17.457 5.530 -2.927 89 HA LEU 11 HA LEU 11 20.007 6.478 -2.087 90 HB2 LEU 11 HB2 LEU 11 18.948 3.876 -3.109 91 HB3 LEU 11 HB3 LEU 11 20.686 4.116 -2.951 92 HG LEU 11 HG LEU 11 19.814 2.945 -1.020 93 HD11 LEU 11 HD11 LEU 11 20.275 5.594 0.182 94 HD12 LEU 11 HD12 LEU 11 21.507 5.038 -0.950 95 HD13 LEU 11 HD13 LEU 11 21.098 4.058 0.458 96 HD21 LEU 11 HD21 LEU 11 17.507 4.067 -1.287 97 HD22 LEU 11 HD22 LEU 11 18.186 5.351 -0.286 98 HD23 LEU 11 HD23 LEU 11 18.087 3.703 0.338 99 H ALA 12 H ALA 12 18.424 6.474 -5.075 100 HA ALA 12 HA ALA 12 20.389 5.993 -6.948 101 HB1 ALA 12 HB1 ALA 12 19.033 7.032 -8.481 102 HB2 ALA 12 HB2 ALA 12 17.877 6.691 -7.194 103 HB3 ALA 12 HB3 ALA 12 18.558 8.309 -7.361 104 H LYS 13 H LYS 13 19.796 8.940 -5.086 105 HA LYS 13 HA LYS 13 21.746 10.526 -6.399 106 HB2 LYS 13 HB2 LYS 13 21.471 12.075 -4.542 107 HB3 LYS 13 HB3 LYS 13 19.902 11.485 -5.076 108 HG2 LYS 13 HG2 LYS 13 19.579 11.232 -2.863 109 HG3 LYS 13 HG3 LYS 13 20.406 9.698 -3.147 110 HD2 LYS 13 HD2 LYS 13 21.631 10.483 -1.382 111 HD3 LYS 13 HD3 LYS 13 22.552 11.177 -2.719 112 HE2 LYS 13 HE2 LYS 13 21.488 13.299 -2.435 113 HE3 LYS 13 HE3 LYS 13 20.344 12.631 -1.273 114 HZ1 LYS 13 HZ1 LYS 13 23.261 12.613 -0.784 115 HZ2 LYS 13 HZ2 LYS 13 22.010 12.408 0.335 116 HZ3 LYS 13 HZ3 LYS 13 22.291 13.929 -0.349 117 H TYR 14 H TYR 14 21.850 8.321 -3.677 118 HA TYR 14 HA TYR 14 24.402 9.074 -2.707 119 HB2 TYR 14 HB2 TYR 14 22.558 6.773 -2.313 120 HB3 TYR 14 HB3 TYR 14 24.246 6.538 -1.871 121 HD1 TYR 14 HD2 TYR 14 25.273 8.434 -0.360 122 HD2 TYR 14 HD1 TYR 14 21.107 7.657 -0.743 123 HE1 TYR 14 HE2 TYR 14 24.871 9.560 1.790 124 HE2 TYR 14 HE1 TYR 14 20.694 8.782 1.405 125 HH TYR 14 HH TYR 14 23.309 10.370 3.180 126 H GLY 15 H GLY 15 23.335 7.007 -5.294 127 HA2 GLY 15 HA2 GLY 15 25.201 6.847 -7.026 128 HA3 GLY 15 HA3 GLY 15 26.112 6.106 -5.719 129 H SER 16 H SER 16 26.391 4.139 -6.736 130 HA SER 16 HA SER 16 23.936 2.541 -7.054 131 HB2 SER 16 HB2 SER 16 26.464 2.251 -8.693 132 HB3 SER 16 HB3 SER 16 24.962 1.351 -8.904 133 HG SER 16 HG SER 16 24.004 3.535 -9.231 134 H LYS 17 H LYS 17 25.755 2.886 -4.753 135 HA LYS 17 HA LYS 17 26.789 0.137 -4.530 136 HB2 LYS 17 HB2 LYS 17 27.581 2.602 -2.968 137 HB3 LYS 17 HB3 LYS 17 28.254 0.993 -2.743 138 HG2 LYS 17 HG2 LYS 17 28.997 1.096 -5.149 139 HG3 LYS 17 HG3 LYS 17 28.548 2.803 -5.124 140 HD2 LYS 17 HD2 LYS 17 30.414 1.625 -3.085 141 HD3 LYS 17 HD3 LYS 17 30.992 2.210 -4.647 142 HE2 LYS 17 HE2 LYS 17 31.254 4.090 -3.353 143 HE3 LYS 17 HE3 LYS 17 29.636 4.355 -4.002 144 HZ1 LYS 17 HZ1 LYS 17 29.782 2.878 -1.504 145 HZ2 LYS 17 HZ2 LYS 17 28.689 4.072 -1.995 146 HZ3 LYS 17 HZ3 LYS 17 30.218 4.510 -1.418 147 H ALA 18 H ALA 18 25.043 2.686 -2.795 148 HA ALA 18 HA ALA 18 24.358 0.978 -0.593 149 HB1 ALA 18 HB1 ALA 18 23.284 3.682 -1.388 150 HB2 ALA 18 HB2 ALA 18 22.950 2.857 0.136 151 HB3 ALA 18 HB3 ALA 18 24.594 3.367 -0.249 152 H VAL 19 H VAL 19 22.986 1.735 -3.678 153 HA VAL 19 HA VAL 19 20.307 0.947 -3.084 154 HB VAL 19 HB VAL 19 20.798 2.423 -4.972 155 HG11 VAL 19 HG11 VAL 19 21.885 1.634 -6.972 156 HG12 VAL 19 HG12 VAL 19 22.957 1.375 -5.594 157 HG13 VAL 19 HG13 VAL 19 22.062 0.020 -6.284 158 HG21 VAL 19 HG21 VAL 19 18.897 1.688 -5.852 159 HG22 VAL 19 HG22 VAL 19 19.750 0.357 -6.632 160 HG23 VAL 19 HG23 VAL 19 19.104 0.156 -5.003 161 H GLN 20 H GLN 20 23.177 -0.695 -4.260 162 HA GLN 20 HA GLN 20 21.976 -3.063 -5.164 163 HB2 GLN 20 HB2 GLN 20 24.449 -2.180 -5.325 164 HB3 GLN 20 HB3 GLN 20 24.662 -3.115 -3.851 165 HG2 GLN 20 HG2 GLN 20 23.837 -5.112 -5.030 166 HG3 GLN 20 HG3 GLN 20 23.720 -4.161 -6.510 167 HE21 GLN 20 HE21 GLN 20 25.316 -4.605 -7.833 168 HE22 GLN 20 HE22 GLN 20 26.960 -4.901 -7.391 169 H TRP 21 H TRP 21 22.929 -2.003 -1.959 170 HA TRP 21 HA TRP 21 22.808 -4.438 -0.604 171 HB2 TRP 21 HB2 TRP 21 23.624 -2.203 0.286 172 HB3 TRP 21 HB3 TRP 21 21.933 -1.792 0.555 173 HD1 TRP 21 HD1 TRP 21 24.293 -4.723 1.550 174 HE1 TRP 21 HE1 TRP 21 23.745 -5.379 3.978 175 HE3 TRP 21 HE3 TRP 21 20.466 -1.450 2.432 176 HZ2 TRP 21 HZ2 TRP 21 21.930 -4.611 5.999 177 HZ3 TRP 21 HZ3 TRP 21 19.377 -1.476 4.638 178 HH2 TRP 21 HH2 TRP 21 20.095 -3.025 6.383 179 H ALA 22 H ALA 22 20.255 -1.947 -0.781 180 HA ALA 22 HA ALA 22 18.227 -3.358 0.447 181 HB1 ALA 22 HB1 ALA 22 17.992 -1.019 -0.074 182 HB2 ALA 22 HB2 ALA 22 18.025 -1.363 -1.804 183 HB3 ALA 22 HB3 ALA 22 16.668 -1.913 -0.821 184 H TRP 23 H TRP 23 19.156 -3.377 -2.975 185 HA TRP 23 HA TRP 23 17.070 -5.092 -3.830 186 HB2 TRP 23 HB2 TRP 23 19.652 -4.140 -4.992 187 HB3 TRP 23 HB3 TRP 23 18.848 -5.515 -5.746 188 HD1 TRP 23 HD1 TRP 23 18.723 -1.772 -5.523 189 HE1 TRP 23 HE1 TRP 23 16.785 -0.881 -6.962 190 HE3 TRP 23 HE3 TRP 23 16.350 -6.190 -6.512 191 HZ2 TRP 23 HZ2 TRP 23 14.545 -1.914 -8.335 192 HZ3 TRP 23 HZ3 TRP 23 14.315 -6.152 -7.896 193 HH2 TRP 23 HH2 TRP 23 13.433 -4.057 -8.787 194 H ALA 24 H ALA 24 20.225 -5.648 -2.450 195 HA ALA 24 HA ALA 24 20.326 -8.437 -3.122 196 HB1 ALA 24 HB1 ALA 24 22.462 -7.827 -2.790 197 HB2 ALA 24 HB2 ALA 24 22.026 -6.520 -1.688 198 HB3 ALA 24 HB3 ALA 24 22.109 -8.180 -1.098 199 H ASN 25 H ASN 25 19.307 -6.529 -0.348 200 HA ASN 25 HA ASN 25 18.710 -8.955 1.169 201 HB2 ASN 25 HB2 ASN 25 18.939 -6.050 1.850 202 HB3 ASN 25 HB3 ASN 25 17.977 -7.097 2.888 203 HD21 ASN 25 HD21 ASN 25 21.169 -6.523 1.577 204 HD22 ASN 25 HD22 ASN 25 22.033 -7.404 2.786 205 H LYS 26 H LYS 26 16.796 -9.870 0.876 206 HA LYS 26 HA LYS 26 14.471 -8.134 0.355 207 HB2 LYS 26 HB2 LYS 26 13.496 -10.199 -0.769 208 HB3 LYS 26 HB3 LYS 26 14.801 -9.385 -1.620 209 HG2 LYS 26 HG2 LYS 26 16.283 -11.092 -1.271 210 HG3 LYS 26 HG3 LYS 26 15.477 -11.637 0.202 211 HD2 LYS 26 HD2 LYS 26 13.767 -12.713 -1.008 212 HD3 LYS 26 HD3 LYS 26 14.188 -11.875 -2.504 213 HE2 LYS 26 HE2 LYS 26 14.959 -14.139 -2.659 214 HE3 LYS 26 HE3 LYS 26 16.361 -13.084 -2.496 215 HZ1 LYS 26 HZ1 LYS 26 16.968 -14.414 -0.842 216 HZ2 LYS 26 HZ2 LYS 26 15.462 -15.182 -0.778 217 HZ3 LYS 26 HZ3 LYS 26 15.712 -13.740 0.070 218 H GLY 27 H GLY 27 14.202 -7.994 2.676 219 HA2 GLY 27 HA2 GLY 27 12.195 -9.440 3.762 220 HA3 GLY 27 HA3 GLY 27 13.607 -10.412 4.149 221 H LYS 28 H LYS 28 15.497 -8.896 5.000 222 HA LYS 28 HA LYS 28 14.814 -8.072 7.544 223 HB2 LYS 28 HB2 LYS 28 17.146 -8.443 6.338 224 HB3 LYS 28 HB3 LYS 28 17.078 -6.693 6.172 225 HG2 LYS 28 HG2 LYS 28 18.141 -6.786 8.160 226 HG3 LYS 28 HG3 LYS 28 16.485 -6.884 8.765 227 HD2 LYS 28 HD2 LYS 28 18.105 -9.329 8.096 228 HD3 LYS 28 HD3 LYS 28 18.149 -8.573 9.690 229 HE2 LYS 28 HE2 LYS 28 16.483 -10.077 10.058 230 HE3 LYS 28 HE3 LYS 28 15.514 -8.748 9.423 231 HZ1 LYS 28 HZ1 LYS 28 16.298 -10.125 7.204 232 HZ2 LYS 28 HZ2 LYS 28 14.778 -10.211 7.941 233 HZ3 LYS 28 HZ3 LYS 28 15.969 -11.348 8.326 234 H ILE 29 H ILE 29 15.508 -5.941 4.766 235 HA ILE 29 HA ILE 29 14.722 -3.565 6.070 236 HB ILE 29 HB ILE 29 14.788 -4.128 3.103 237 HG12 ILE 29 HG12 ILE 29 16.903 -2.978 4.937 238 HG13 ILE 29 HG13 ILE 29 16.945 -4.572 4.191 239 HG21 ILE 29 HG21 ILE 29 14.086 -2.047 2.796 240 HG22 ILE 29 HG22 ILE 29 13.863 -1.881 4.536 241 HG23 ILE 29 HG23 ILE 29 15.400 -1.431 3.798 242 HD11 ILE 29 HD11 ILE 29 17.211 -1.891 2.879 243 HD12 ILE 29 HD12 ILE 29 18.353 -3.235 2.891 244 HD13 ILE 29 HD13 ILE 29 16.858 -3.357 1.965 245 H LEU 30 H LEU 30 12.974 -5.896 4.097 246 HA LEU 30 HA LEU 30 10.649 -4.482 3.577 247 HB2 LEU 30 HB2 LEU 30 11.335 -7.351 3.881 248 HB3 LEU 30 HB3 LEU 30 9.626 -6.920 3.901 249 HG LEU 30 HG LEU 30 10.462 -7.636 1.677 250 HD11 LEU 30 HD11 LEU 30 8.629 -6.449 1.200 251 HD12 LEU 30 HD12 LEU 30 9.756 -5.203 0.665 252 HD13 LEU 30 HD13 LEU 30 9.076 -5.136 2.290 253 HD21 LEU 30 HD21 LEU 30 12.717 -6.736 1.813 254 HD22 LEU 30 HD22 LEU 30 12.077 -5.093 1.846 255 HD23 LEU 30 HD23 LEU 30 11.876 -6.089 0.404 256 H ASP 31 H ASP 31 11.773 -5.890 6.546 257 HA ASP 31 HA ASP 31 9.264 -5.898 7.899 258 HB2 ASP 31 HB2 ASP 31 12.123 -6.037 8.845 259 HB3 ASP 31 HB3 ASP 31 10.766 -6.025 9.967 260 H TRP 32 H TRP 32 11.980 -3.632 7.751 261 HA TRP 32 HA TRP 32 11.201 -1.810 9.674 262 HB2 TRP 32 HB2 TRP 32 12.640 -1.434 7.051 263 HB3 TRP 32 HB3 TRP 32 12.372 -0.099 8.168 264 HD1 TRP 32 HD1 TRP 32 12.914 -2.073 10.798 265 HE1 TRP 32 HE1 TRP 32 15.373 -2.564 11.380 266 HE3 TRP 32 HE3 TRP 32 15.055 -0.932 6.298 267 HZ2 TRP 32 HZ2 TRP 32 17.887 -2.478 10.100 268 HZ3 TRP 32 HZ3 TRP 32 17.493 -1.162 6.061 269 HH2 TRP 32 HH2 TRP 32 18.878 -1.919 7.923 270 H LEU 33 H LEU 33 9.991 -2.241 6.410 271 HA LEU 33 HA LEU 33 8.597 0.144 6.080 272 HB2 LEU 33 HB2 LEU 33 8.010 -2.638 5.097 273 HB3 LEU 33 HB3 LEU 33 7.082 -1.225 4.597 274 HG LEU 33 HG LEU 33 10.035 -1.626 4.116 275 HD11 LEU 33 HD11 LEU 33 7.841 -2.777 2.796 276 HD12 LEU 33 HD12 LEU 33 9.526 -2.751 2.276 277 HD13 LEU 33 HD13 LEU 33 8.422 -1.478 1.754 278 HD21 LEU 33 HD21 LEU 33 8.161 0.624 3.709 279 HD22 LEU 33 HD22 LEU 33 9.281 0.278 2.391 280 HD23 LEU 33 HD23 LEU 33 9.900 0.630 4.005 281 H ASN 34 H ASN 34 7.637 -2.844 7.706 282 HA ASN 34 HA ASN 34 5.036 -1.747 8.387 283 HB2 ASN 34 HB2 ASN 34 6.361 -4.401 8.960 284 HB3 ASN 34 HB3 ASN 34 4.774 -3.964 9.588 285 HD21 ASN 34 HD21 ASN 34 6.521 -5.182 6.958 286 HD22 ASN 34 HD22 ASN 34 5.215 -5.295 5.832 287 H ALA 35 H ALA 35 8.152 -2.280 9.853 288 HA ALA 35 HA ALA 35 7.119 -1.466 12.476 289 HB1 ALA 35 HB1 ALA 35 9.926 -2.368 11.911 290 HB2 ALA 35 HB2 ALA 35 9.049 -2.378 13.442 291 HB3 ALA 35 HB3 ALA 35 8.610 -3.514 12.167 292 H GLY 36 H GLY 36 7.043 0.589 10.720 293 HA2 GLY 36 HA2 GLY 36 8.465 2.618 11.971 294 HA3 GLY 36 HA3 GLY 36 9.427 2.127 10.584 295 H GLN 37 H GLN 37 7.643 1.663 8.637 296 HA GLN 37 HA GLN 37 6.474 2.727 7.000 297 HB2 GLN 37 HB2 GLN 37 5.070 3.714 9.474 298 HB3 GLN 37 HB3 GLN 37 4.541 4.179 7.863 299 HG2 GLN 37 HG2 GLN 37 4.205 1.828 7.293 300 HG3 GLN 37 HG3 GLN 37 4.731 1.364 8.910 301 HE21 GLN 37 HE21 GLN 37 2.372 3.456 7.290 302 HE22 GLN 37 HE22 GLN 37 1.088 3.165 8.408 303 H ALA 38 H ALA 38 8.903 4.000 8.103 304 HA ALA 38 HA ALA 38 8.333 6.780 7.304 305 HB1 ALA 38 HB1 ALA 38 10.187 7.489 8.730 306 HB2 ALA 38 HB2 ALA 38 8.946 6.648 9.660 307 HB3 ALA 38 HB3 ALA 38 10.442 5.818 9.233 308 H ILE 39 H ILE 39 10.727 7.801 6.832 309 HA ILE 39 HA ILE 39 11.950 6.019 4.827 310 HB ILE 39 HB ILE 39 11.640 9.014 4.606 311 HG12 ILE 39 HG12 ILE 39 10.218 8.096 2.545 312 HG13 ILE 39 HG13 ILE 39 10.005 6.723 3.626 313 HG21 ILE 39 HG21 ILE 39 13.195 8.911 3.029 314 HG22 ILE 39 HG22 ILE 39 13.383 7.182 3.315 315 HG23 ILE 39 HG23 ILE 39 12.210 7.757 2.131 316 HD11 ILE 39 HD11 ILE 39 8.773 9.336 3.682 317 HD12 ILE 39 HD12 ILE 39 8.302 7.843 4.494 318 HD13 ILE 39 HD13 ILE 39 9.498 8.909 5.232 319 H ASP 40 H ASP 40 12.697 9.177 6.307 320 HA ASP 40 HA ASP 40 15.456 8.953 6.210 321 HB2 ASP 40 HB2 ASP 40 13.629 10.476 8.056 322 HB3 ASP 40 HB3 ASP 40 15.381 10.580 8.203 323 H TRP 41 H TRP 41 13.192 7.547 8.439 324 HA TRP 41 HA TRP 41 15.179 6.845 10.403 325 HB2 TRP 41 HB2 TRP 41 12.779 7.263 10.969 326 HB3 TRP 41 HB3 TRP 41 12.361 5.785 10.106 327 HD1 TRP 41 HD1 TRP 41 14.345 6.929 13.218 328 HE1 TRP 41 HE1 TRP 41 14.398 4.977 14.895 329 HE3 TRP 41 HE3 TRP 41 12.081 3.344 10.362 330 HZ2 TRP 41 HZ2 TRP 41 13.588 2.275 14.993 331 HZ3 TRP 41 HZ3 TRP 41 11.758 1.101 11.322 332 HH2 TRP 41 HH2 TRP 41 12.497 0.580 13.589 333 H VAL 42 H VAL 42 13.724 5.370 7.601 334 HA VAL 42 HA VAL 42 14.653 2.713 8.201 335 HB VAL 42 HB VAL 42 13.609 3.858 5.606 336 HG11 VAL 42 HG11 VAL 42 14.626 1.206 6.373 337 HG12 VAL 42 HG12 VAL 42 13.095 1.207 5.496 338 HG13 VAL 42 HG13 VAL 42 14.520 1.968 4.786 339 HG21 VAL 42 HG21 VAL 42 12.236 2.326 7.810 340 HG22 VAL 42 HG22 VAL 42 11.928 3.993 7.324 341 HG23 VAL 42 HG23 VAL 42 11.522 2.667 6.234 342 H VAL 43 H VAL 43 15.767 5.449 6.303 343 HA VAL 43 HA VAL 43 17.888 4.000 5.019 344 HB VAL 43 HB VAL 43 17.541 6.989 5.290 345 HG11 VAL 43 HG11 VAL 43 19.766 6.575 4.649 346 HG12 VAL 43 HG12 VAL 43 19.296 5.267 3.562 347 HG13 VAL 43 HG13 VAL 43 18.913 6.938 3.149 348 HG21 VAL 43 HG21 VAL 43 15.611 5.819 4.228 349 HG22 VAL 43 HG22 VAL 43 16.439 6.954 3.163 350 HG23 VAL 43 HG23 VAL 43 16.718 5.221 2.992 351 H SER 44 H SER 44 17.505 5.837 7.952 352 HA SER 44 HA SER 44 20.170 6.457 8.512 353 HB2 SER 44 HB2 SER 44 18.103 7.250 9.758 354 HB3 SER 44 HB3 SER 44 18.115 5.697 10.593 355 HG SER 44 HG SER 44 19.341 6.858 11.902 356 H LYS 45 H LYS 45 18.512 3.444 8.558 357 HA LYS 45 HA LYS 45 20.586 2.158 10.166 358 HB2 LYS 45 HB2 LYS 45 17.862 1.385 9.221 359 HB3 LYS 45 HB3 LYS 45 19.018 0.106 9.567 360 HG2 LYS 45 HG2 LYS 45 18.028 0.283 11.602 361 HG3 LYS 45 HG3 LYS 45 19.322 1.465 11.808 362 HD2 LYS 45 HD2 LYS 45 17.614 2.791 12.473 363 HD3 LYS 45 HD3 LYS 45 17.426 3.043 10.736 364 HE2 LYS 45 HE2 LYS 45 16.010 0.818 12.169 365 HE3 LYS 45 HE3 LYS 45 15.339 2.446 12.103 366 HZ1 LYS 45 HZ1 LYS 45 15.904 2.045 9.539 367 HZ2 LYS 45 HZ2 LYS 45 14.409 1.661 10.229 368 HZ3 LYS 45 HZ3 LYS 45 15.572 0.453 10.005 369 H ILE 46 H ILE 46 20.980 3.240 7.395 370 HA ILE 46 HA ILE 46 21.830 0.734 6.095 371 HB ILE 46 HB ILE 46 21.162 3.373 4.785 372 HG12 ILE 46 HG12 ILE 46 19.721 0.711 4.740 373 HG13 ILE 46 HG13 ILE 46 19.176 2.164 5.572 374 HG21 ILE 46 HG21 ILE 46 21.992 0.741 3.569 375 HG22 ILE 46 HG22 ILE 46 21.474 2.168 2.673 376 HG23 ILE 46 HG23 ILE 46 22.958 2.215 3.624 377 HD11 ILE 46 HD11 ILE 46 17.956 2.435 3.711 378 HD12 ILE 46 HD12 ILE 46 19.451 3.117 3.071 379 HD13 ILE 46 HD13 ILE 46 19.031 1.439 2.731 380 H LYS 47 H LYS 47 22.731 4.001 6.995 381 HA LYS 47 HA LYS 47 25.288 3.991 5.753 382 HB2 LYS 47 HB2 LYS 47 25.745 5.918 7.300 383 HB3 LYS 47 HB3 LYS 47 24.311 6.102 6.298 384 HG2 LYS 47 HG2 LYS 47 23.450 4.877 8.669 385 HG3 LYS 47 HG3 LYS 47 24.554 6.168 9.148 386 HD2 LYS 47 HD2 LYS 47 23.200 7.579 7.419 387 HD3 LYS 47 HD3 LYS 47 21.970 6.334 7.653 388 HE2 LYS 47 HE2 LYS 47 21.437 8.009 9.207 389 HE3 LYS 47 HE3 LYS 47 22.250 6.761 10.149 390 HZ1 LYS 47 HZ1 LYS 47 23.331 9.366 9.255 391 HZ2 LYS 47 HZ2 LYS 47 24.334 8.117 9.798 392 HZ3 LYS 47 HZ3 LYS 47 23.177 8.784 10.836 393 H GLN 48 H GLN 48 24.055 2.728 8.730 394 HA GLN 48 HA GLN 48 26.654 2.445 9.960 395 HB2 GLN 48 HB2 GLN 48 25.432 1.271 11.746 396 HB3 GLN 48 HB3 GLN 48 24.715 2.834 11.376 397 HG2 GLN 48 HG2 GLN 48 22.849 1.897 10.392 398 HG3 GLN 48 HG3 GLN 48 23.660 0.364 10.076 399 HE21 GLN 48 HE21 GLN 48 22.010 -0.813 11.040 400 HE22 GLN 48 HE22 GLN 48 21.783 -0.851 12.752 401 H ILE 49 H ILE 49 24.561 0.581 7.936 402 HA ILE 49 HA ILE 49 25.753 -1.963 8.529 403 HB ILE 49 HB ILE 49 24.125 -1.243 6.094 404 HG12 ILE 49 HG12 ILE 49 22.939 -0.610 8.172 405 HG13 ILE 49 HG13 ILE 49 22.152 -1.947 7.340 406 HG21 ILE 49 HG21 ILE 49 23.591 -3.847 6.945 407 HG22 ILE 49 HG22 ILE 49 24.528 -3.354 5.535 408 HG23 ILE 49 HG23 ILE 49 25.340 -3.663 7.070 409 HD11 ILE 49 HD11 ILE 49 22.154 -2.373 9.693 410 HD12 ILE 49 HD12 ILE 49 23.259 -3.504 8.912 411 HD13 ILE 49 HD13 ILE 49 23.895 -2.110 9.784 412 H LEU 50 H LEU 50 25.629 -0.192 5.436 413 HA LEU 50 HA LEU 50 27.992 -1.519 4.490 414 HB2 LEU 50 HB2 LEU 50 26.612 0.859 3.266 415 HB3 LEU 50 HB3 LEU 50 27.673 -0.297 2.465 416 HG LEU 50 HG LEU 50 25.009 -1.079 3.627 417 HD11 LEU 50 HD11 LEU 50 25.268 -0.734 0.713 418 HD12 LEU 50 HD12 LEU 50 25.190 0.749 1.663 419 HD13 LEU 50 HD13 LEU 50 23.893 -0.440 1.778 420 HD21 LEU 50 HD21 LEU 50 27.155 -2.400 2.111 421 HD22 LEU 50 HD22 LEU 50 25.518 -2.722 1.539 422 HD23 LEU 50 HD23 LEU 50 25.955 -3.078 3.211 423 H GLY 51 H GLY 51 27.228 1.943 4.948 424 HA2 GLY 51 HA2 GLY 51 28.882 3.111 6.465 425 HA3 GLY 51 HA3 GLY 51 30.107 2.389 5.432 426 H ILE 52 H ILE 52 27.048 3.730 4.322 427 HA ILE 52 HA ILE 52 28.440 5.431 2.461 428 HB ILE 52 HB ILE 52 26.320 4.255 1.881 429 HG12 ILE 52 HG12 ILE 52 25.294 6.200 0.716 430 HG13 ILE 52 HG13 ILE 52 26.296 7.275 1.686 431 HG21 ILE 52 HG21 ILE 52 24.550 6.228 3.032 432 HG22 ILE 52 HG22 ILE 52 24.459 4.468 3.081 433 HG23 ILE 52 HG23 ILE 52 25.422 5.335 4.278 434 HD11 ILE 52 HD11 ILE 52 27.522 5.143 -0.015 435 HD12 ILE 52 HD12 ILE 52 27.055 6.704 -0.690 436 HD13 ILE 52 HD13 ILE 52 28.246 6.626 0.608 437 H LYS 53 H LYS 53 28.460 7.665 2.406 438 HA LYS 53 HA LYS 53 27.663 8.998 4.911 439 HB2 LYS 53 HB2 LYS 53 29.474 10.663 4.321 440 HB3 LYS 53 HB3 LYS 53 30.032 9.061 4.783 441 HG2 LYS 53 HG2 LYS 53 30.737 8.543 2.662 442 HG3 LYS 53 HG3 LYS 53 29.617 9.673 1.897 443 HD2 LYS 53 HD2 LYS 53 31.740 10.780 3.661 444 HD3 LYS 53 HD3 LYS 53 32.211 10.179 2.070 445 HE2 LYS 53 HE2 LYS 53 30.187 11.618 1.254 446 HE3 LYS 53 HE3 LYS 53 30.416 12.456 2.789 447 HZ1 LYS 53 HZ1 LYS 53 31.671 13.586 1.140 448 HZ2 LYS 53 HZ2 LYS 53 32.394 12.156 0.599 449 HZ3 LYS 53 HZ3 LYS 53 32.777 12.771 2.127 Start of MODEL 12 1 H1 MET 1 H MET 1 -0.246 0.914 -3.017 2 HA MET 1 HA MET 1 0.411 -0.744 -1.096 3 HB2 MET 1 HB2 MET 1 -0.157 -2.669 -2.476 4 HB3 MET 1 HB3 MET 1 -1.212 -1.315 -2.855 5 HG2 MET 1 HG2 MET 1 1.144 -1.361 -4.537 6 HG3 MET 1 HG3 MET 1 0.213 -2.853 -4.648 7 HE1 MET 1 HE1 MET 1 0.649 0.687 -5.797 8 HE2 MET 1 HE2 MET 1 0.758 -0.586 -7.013 9 HE3 MET 1 HE3 MET 1 -0.503 0.642 -7.132 10 H ALA 2 H ALA 2 2.842 0.633 -2.103 11 HA ALA 2 HA ALA 2 4.708 -1.437 -1.534 12 HB1 ALA 2 HB1 ALA 2 5.743 -0.658 -4.002 13 HB2 ALA 2 HB2 ALA 2 5.070 -2.232 -3.577 14 HB3 ALA 2 HB3 ALA 2 4.039 -0.999 -4.303 15 H GLY 3 H GLY 3 6.118 -0.398 -0.295 16 HA2 GLY 3 HA2 GLY 3 6.742 2.413 -0.929 17 HA3 GLY 3 HA3 GLY 3 6.872 1.687 0.666 18 H PHE 4 H PHE 4 8.097 -0.737 -0.781 19 HA PHE 4 HA PHE 4 10.751 -0.263 -0.178 20 HB2 PHE 4 HB2 PHE 4 9.996 -2.516 -0.457 21 HB3 PHE 4 HB3 PHE 4 9.511 -2.212 -2.122 22 HD1 PHE 4 HD1 PHE 4 12.347 -2.764 0.132 23 HD2 PHE 4 HD2 PHE 4 11.113 -2.216 -3.905 24 HE1 PHE 4 HE1 PHE 4 14.554 -3.529 -0.643 25 HE2 PHE 4 HE2 PHE 4 13.317 -2.981 -4.686 26 HZ PHE 4 HZ PHE 4 15.041 -3.640 -3.055 27 H LEU 5 H LEU 5 9.376 -0.403 -3.469 28 HA LEU 5 HA LEU 5 11.628 0.494 -4.826 29 HB2 LEU 5 HB2 LEU 5 8.697 0.610 -5.426 30 HB3 LEU 5 HB3 LEU 5 9.866 1.345 -6.521 31 HG LEU 5 HG LEU 5 10.470 -1.435 -5.814 32 HD11 LEU 5 HD11 LEU 5 8.722 -2.276 -7.426 33 HD12 LEU 5 HD12 LEU 5 7.919 -0.718 -7.236 34 HD13 LEU 5 HD13 LEU 5 8.131 -1.775 -5.841 35 HD21 LEU 5 HD21 LEU 5 11.424 -1.423 -7.847 36 HD22 LEU 5 HD22 LEU 5 11.255 0.328 -7.721 37 HD23 LEU 5 HD23 LEU 5 10.050 -0.614 -8.602 38 H LYS 6 H LYS 6 9.330 2.247 -2.931 39 HA LYS 6 HA LYS 6 9.938 4.832 -4.020 40 HB2 LYS 6 HB2 LYS 6 8.688 4.279 -1.333 41 HB3 LYS 6 HB3 LYS 6 8.503 5.710 -2.339 42 HG2 LYS 6 HG2 LYS 6 7.452 2.959 -2.970 43 HG3 LYS 6 HG3 LYS 6 6.504 4.330 -2.390 44 HD2 LYS 6 HD2 LYS 6 6.953 5.564 -4.401 45 HD3 LYS 6 HD3 LYS 6 8.088 4.332 -4.958 46 HE2 LYS 6 HE2 LYS 6 6.400 2.820 -5.447 47 HE3 LYS 6 HE3 LYS 6 5.247 3.604 -4.369 48 HZ1 LYS 6 HZ1 LYS 6 5.749 4.083 -7.135 49 HZ2 LYS 6 HZ2 LYS 6 5.863 5.509 -6.233 50 HZ3 LYS 6 HZ3 LYS 6 4.447 4.585 -6.177 51 H VAL 7 H VAL 7 10.782 3.109 -1.026 52 HA VAL 7 HA VAL 7 12.480 5.173 -0.045 53 HB VAL 7 HB VAL 7 13.282 3.466 1.563 54 HG11 VAL 7 HG11 VAL 7 10.309 3.736 1.167 55 HG12 VAL 7 HG12 VAL 7 11.039 3.031 2.610 56 HG13 VAL 7 HG13 VAL 7 11.358 4.714 2.192 57 HG21 VAL 7 HG21 VAL 7 12.344 1.236 1.560 58 HG22 VAL 7 HG22 VAL 7 11.402 1.603 0.115 59 HG23 VAL 7 HG23 VAL 7 13.162 1.536 0.026 60 H VAL 8 H VAL 8 12.922 2.463 -2.175 61 HA VAL 8 HA VAL 8 15.783 2.401 -1.994 62 HB VAL 8 HB VAL 8 13.930 1.231 -4.073 63 HG11 VAL 8 HG11 VAL 8 15.888 1.206 -5.236 64 HG12 VAL 8 HG12 VAL 8 16.883 1.220 -3.779 65 HG13 VAL 8 HG13 VAL 8 16.103 -0.274 -4.301 66 HG21 VAL 8 HG21 VAL 8 13.521 -0.386 -2.609 67 HG22 VAL 8 HG22 VAL 8 15.248 -0.708 -2.453 68 HG23 VAL 8 HG23 VAL 8 14.473 0.476 -1.401 69 H GLN 9 H GLN 9 13.459 4.214 -3.791 70 HA GLN 9 HA GLN 9 14.989 4.926 -6.031 71 HB2 GLN 9 HB2 GLN 9 12.587 5.978 -4.666 72 HB3 GLN 9 HB3 GLN 9 13.458 7.127 -5.673 73 HG2 GLN 9 HG2 GLN 9 13.318 4.920 -7.284 74 HG3 GLN 9 HG3 GLN 9 11.780 4.868 -6.424 75 HE21 GLN 9 HE21 GLN 9 13.837 6.820 -8.482 76 HE22 GLN 9 HE22 GLN 9 12.581 7.830 -9.103 77 H LEU 10 H LEU 10 14.821 6.286 -2.786 78 HA LEU 10 HA LEU 10 16.358 8.601 -3.300 79 HB2 LEU 10 HB2 LEU 10 15.631 7.063 -0.842 80 HB3 LEU 10 HB3 LEU 10 16.812 8.368 -0.747 81 HG LEU 10 HG LEU 10 14.617 9.153 -0.085 82 HD11 LEU 10 HD11 LEU 10 14.668 10.517 -2.641 83 HD12 LEU 10 HD12 LEU 10 16.280 10.342 -1.947 84 HD13 LEU 10 HD13 LEU 10 15.003 11.133 -1.023 85 HD21 LEU 10 HD21 LEU 10 13.702 8.417 -2.863 86 HD22 LEU 10 HD22 LEU 10 12.736 9.165 -1.590 87 HD23 LEU 10 HD23 LEU 10 13.314 7.509 -1.401 88 H LEU 11 H LEU 11 17.195 5.286 -2.701 89 HA LEU 11 HA LEU 11 19.921 5.760 -1.988 90 HB2 LEU 11 HB2 LEU 11 18.323 3.359 -2.773 91 HB3 LEU 11 HB3 LEU 11 20.081 3.259 -2.688 92 HG LEU 11 HG LEU 11 19.084 2.419 -0.647 93 HD11 LEU 11 HD11 LEU 11 20.052 4.858 0.543 94 HD12 LEU 11 HD12 LEU 11 21.065 4.370 -0.815 95 HD13 LEU 11 HD13 LEU 11 20.779 3.251 0.518 96 HD21 LEU 11 HD21 LEU 11 17.122 4.232 -1.017 97 HD22 LEU 11 HD22 LEU 11 18.073 5.044 0.227 98 HD23 LEU 11 HD23 LEU 11 17.438 3.424 0.519 99 H ALA 12 H ALA 12 18.269 6.068 -4.866 100 HA ALA 12 HA ALA 12 20.245 5.093 -6.684 101 HB1 ALA 12 HB1 ALA 12 18.801 5.672 -8.330 102 HB2 ALA 12 HB2 ALA 12 17.662 5.703 -6.983 103 HB3 ALA 12 HB3 ALA 12 18.374 7.205 -7.571 104 H LYS 13 H LYS 13 19.352 8.330 -5.514 105 HA LYS 13 HA LYS 13 21.156 9.831 -6.996 106 HB2 LYS 13 HB2 LYS 13 20.829 11.578 -5.413 107 HB3 LYS 13 HB3 LYS 13 19.311 10.695 -5.511 108 HG2 LYS 13 HG2 LYS 13 19.444 10.826 -3.266 109 HG3 LYS 13 HG3 LYS 13 20.437 9.381 -3.474 110 HD2 LYS 13 HD2 LYS 13 22.354 10.458 -2.928 111 HD3 LYS 13 HD3 LYS 13 21.843 11.971 -3.681 112 HE2 LYS 13 HE2 LYS 13 20.310 12.351 -1.778 113 HE3 LYS 13 HE3 LYS 13 20.927 10.884 -1.019 114 HZ1 LYS 13 HZ1 LYS 13 22.422 12.215 -0.079 115 HZ2 LYS 13 HZ2 LYS 13 22.076 13.506 -1.115 116 HZ3 LYS 13 HZ3 LYS 13 23.170 12.308 -1.594 117 H TYR 14 H TYR 14 21.657 7.924 -4.103 118 HA TYR 14 HA TYR 14 24.072 8.898 -3.193 119 HB2 TYR 14 HB2 TYR 14 22.813 6.184 -3.175 120 HB3 TYR 14 HB3 TYR 14 24.476 6.357 -2.626 121 HD1 TYR 14 HD1 TYR 14 20.996 7.447 -2.001 122 HD2 TYR 14 HD2 TYR 14 24.971 7.271 -0.495 123 HE1 TYR 14 HE1 TYR 14 20.183 8.157 0.209 124 HE2 TYR 14 HE2 TYR 14 24.169 7.980 1.720 125 HH TYR 14 HH TYR 14 22.341 9.059 2.756 126 H GLY 15 H GLY 15 23.412 6.866 -5.972 127 HA2 GLY 15 HA2 GLY 15 25.139 7.283 -7.777 128 HA3 GLY 15 HA3 GLY 15 26.305 6.795 -6.557 129 H SER 16 H SER 16 23.145 5.327 -7.050 130 HA SER 16 HA SER 16 22.546 3.163 -7.444 131 HB2 SER 16 HB2 SER 16 23.510 4.049 -9.712 132 HB3 SER 16 HB3 SER 16 24.833 2.933 -9.374 133 HG SER 16 HG SER 16 23.563 1.301 -9.794 134 H LYS 17 H LYS 17 24.523 3.647 -5.353 135 HA LYS 17 HA LYS 17 25.993 1.095 -5.414 136 HB2 LYS 17 HB2 LYS 17 27.187 3.402 -5.126 137 HB3 LYS 17 HB3 LYS 17 26.595 3.299 -3.473 138 HG2 LYS 17 HG2 LYS 17 27.968 1.552 -2.939 139 HG3 LYS 17 HG3 LYS 17 28.054 0.968 -4.603 140 HD2 LYS 17 HD2 LYS 17 30.162 1.856 -4.324 141 HD3 LYS 17 HD3 LYS 17 29.299 3.227 -5.024 142 HE2 LYS 17 HE2 LYS 17 28.938 4.135 -2.776 143 HE3 LYS 17 HE3 LYS 17 29.809 2.767 -2.085 144 HZ1 LYS 17 HZ1 LYS 17 30.837 5.089 -3.526 145 HZ2 LYS 17 HZ2 LYS 17 31.638 3.619 -3.764 146 HZ3 LYS 17 HZ3 LYS 17 31.492 4.260 -2.205 147 H ALA 18 H ALA 18 24.673 3.277 -2.916 148 HA ALA 18 HA ALA 18 24.286 1.299 -0.981 149 HB1 ALA 18 HB1 ALA 18 22.945 3.967 -1.367 150 HB2 ALA 18 HB2 ALA 18 22.701 2.948 0.053 151 HB3 ALA 18 HB3 ALA 18 24.306 3.581 -0.313 152 H VAL 19 H VAL 19 22.399 2.154 -3.751 153 HA VAL 19 HA VAL 19 19.899 1.125 -2.941 154 HB VAL 19 HB VAL 19 20.101 2.580 -4.885 155 HG11 VAL 19 HG11 VAL 19 22.289 1.688 -5.658 156 HG12 VAL 19 HG12 VAL 19 21.444 0.271 -6.282 157 HG13 VAL 19 HG13 VAL 19 21.101 1.868 -6.948 158 HG21 VAL 19 HG21 VAL 19 18.255 1.683 -5.750 159 HG22 VAL 19 HG22 VAL 19 19.135 0.276 -6.347 160 HG23 VAL 19 HG23 VAL 19 18.529 0.300 -4.691 161 H GLN 20 H GLN 20 22.739 -0.365 -4.377 162 HA GLN 20 HA GLN 20 21.718 -2.787 -5.216 163 HB2 GLN 20 HB2 GLN 20 24.038 -2.106 -5.594 164 HB3 GLN 20 HB3 GLN 20 24.378 -2.268 -3.876 165 HG2 GLN 20 HG2 GLN 20 25.217 -4.172 -5.125 166 HG3 GLN 20 HG3 GLN 20 23.950 -4.657 -3.999 167 HE21 GLN 20 HE21 GLN 20 22.732 -6.179 -4.834 168 HE22 GLN 20 HE22 GLN 20 22.201 -6.281 -6.475 169 H TRP 21 H TRP 21 22.897 -1.935 -1.971 170 HA TRP 21 HA TRP 21 22.546 -4.381 -0.725 171 HB2 TRP 21 HB2 TRP 21 23.624 -2.346 0.271 172 HB3 TRP 21 HB3 TRP 21 22.012 -1.689 0.544 173 HD1 TRP 21 HD1 TRP 21 23.915 -4.950 1.486 174 HE1 TRP 21 HE1 TRP 21 23.246 -5.580 3.891 175 HE3 TRP 21 HE3 TRP 21 20.568 -1.198 2.407 176 HZ2 TRP 21 HZ2 TRP 21 21.527 -4.615 5.910 177 HZ3 TRP 21 HZ3 TRP 21 19.454 -1.123 4.600 178 HH2 TRP 21 HH2 TRP 21 19.924 -2.797 6.313 179 H ALA 22 H ALA 22 20.213 -1.686 -0.848 180 HA ALA 22 HA ALA 22 18.107 -2.877 0.477 181 HB1 ALA 22 HB1 ALA 22 18.127 -0.527 -0.186 182 HB2 ALA 22 HB2 ALA 22 17.932 -0.997 -1.875 183 HB3 ALA 22 HB3 ALA 22 16.647 -1.328 -0.713 184 H TRP 23 H TRP 23 19.156 -3.311 -2.844 185 HA TRP 23 HA TRP 23 16.841 -4.834 -3.611 186 HB2 TRP 23 HB2 TRP 23 19.413 -4.049 -4.904 187 HB3 TRP 23 HB3 TRP 23 18.536 -5.425 -5.568 188 HD1 TRP 23 HD1 TRP 23 18.447 -1.648 -5.355 189 HE1 TRP 23 HE1 TRP 23 16.533 -0.760 -6.829 190 HE3 TRP 23 HE3 TRP 23 16.133 -6.077 -6.435 191 HZ2 TRP 23 HZ2 TRP 23 14.333 -1.800 -8.260 192 HZ3 TRP 23 HZ3 TRP 23 14.130 -6.043 -7.863 193 HH2 TRP 23 HH2 TRP 23 13.249 -3.948 -8.755 194 H ALA 24 H ALA 24 20.079 -5.521 -2.447 195 HA ALA 24 HA ALA 24 19.962 -8.333 -2.968 196 HB1 ALA 24 HB1 ALA 24 22.145 -7.810 -2.806 197 HB2 ALA 24 HB2 ALA 24 21.852 -6.466 -1.702 198 HB3 ALA 24 HB3 ALA 24 21.888 -8.119 -1.088 199 H ASN 25 H ASN 25 20.153 -6.606 0.152 200 HA ASN 25 HA ASN 25 19.365 -8.747 1.742 201 HB2 ASN 25 HB2 ASN 25 19.320 -5.772 2.104 202 HB3 ASN 25 HB3 ASN 25 18.571 -6.805 3.318 203 HD21 ASN 25 HD21 ASN 25 21.486 -7.240 1.358 204 HD22 ASN 25 HD22 ASN 25 22.568 -7.413 2.694 205 H LYS 26 H LYS 26 17.565 -9.888 1.410 206 HA LYS 26 HA LYS 26 15.054 -8.443 0.895 207 HB2 LYS 26 HB2 LYS 26 14.213 -10.401 -0.153 208 HB3 LYS 26 HB3 LYS 26 15.845 -10.176 -0.770 209 HG2 LYS 26 HG2 LYS 26 16.635 -11.846 0.899 210 HG3 LYS 26 HG3 LYS 26 14.948 -12.143 1.324 211 HD2 LYS 26 HD2 LYS 26 15.940 -12.372 -1.503 212 HD3 LYS 26 HD3 LYS 26 16.032 -13.722 -0.369 213 HE2 LYS 26 HE2 LYS 26 13.584 -13.509 -0.007 214 HE3 LYS 26 HE3 LYS 26 13.544 -12.267 -1.257 215 HZ1 LYS 26 HZ1 LYS 26 14.323 -13.871 -2.860 216 HZ2 LYS 26 HZ2 LYS 26 12.929 -14.461 -2.105 217 HZ3 LYS 26 HZ3 LYS 26 14.448 -15.066 -1.669 218 H GLY 27 H GLY 27 13.160 -9.021 2.036 219 HA2 GLY 27 HA2 GLY 27 11.947 -9.624 3.890 220 HA3 GLY 27 HA3 GLY 27 13.052 -10.980 4.059 221 H LYS 28 H LYS 28 14.433 -7.833 4.043 222 HA LYS 28 HA LYS 28 14.765 -7.980 6.969 223 HB2 LYS 28 HB2 LYS 28 16.857 -8.407 5.742 224 HB3 LYS 28 HB3 LYS 28 16.689 -6.861 4.921 225 HG2 LYS 28 HG2 LYS 28 18.245 -6.498 6.635 226 HG3 LYS 28 HG3 LYS 28 16.735 -5.795 7.219 227 HD2 LYS 28 HD2 LYS 28 17.220 -8.631 7.902 228 HD3 LYS 28 HD3 LYS 28 18.261 -7.442 8.690 229 HE2 LYS 28 HE2 LYS 28 15.320 -6.965 8.624 230 HE3 LYS 28 HE3 LYS 28 15.961 -8.160 9.751 231 HZ1 LYS 28 HZ1 LYS 28 17.131 -5.457 9.617 232 HZ2 LYS 28 HZ2 LYS 28 17.151 -6.564 10.896 233 HZ3 LYS 28 HZ3 LYS 28 15.726 -5.736 10.518 234 H ILE 29 H ILE 29 15.004 -5.609 4.310 235 HA ILE 29 HA ILE 29 14.406 -3.397 6.002 236 HB ILE 29 HB ILE 29 14.250 -3.533 2.990 237 HG12 ILE 29 HG12 ILE 29 16.552 -2.746 4.790 238 HG13 ILE 29 HG13 ILE 29 16.462 -4.209 3.814 239 HG21 ILE 29 HG21 ILE 29 13.683 -1.387 3.024 240 HG22 ILE 29 HG22 ILE 29 13.490 -1.513 4.771 241 HG23 ILE 29 HG23 ILE 29 15.032 -0.998 4.090 242 HD11 ILE 29 HD11 ILE 29 17.852 -2.652 2.683 243 HD12 ILE 29 HD12 ILE 29 16.332 -2.751 1.794 244 HD13 ILE 29 HD13 ILE 29 16.651 -1.371 2.845 245 H LEU 30 H LEU 30 12.514 -5.447 3.860 246 HA LEU 30 HA LEU 30 10.170 -3.934 3.743 247 HB2 LEU 30 HB2 LEU 30 10.807 -6.833 3.474 248 HB3 LEU 30 HB3 LEU 30 9.119 -6.335 3.567 249 HG LEU 30 HG LEU 30 9.907 -6.660 1.254 250 HD11 LEU 30 HD11 LEU 30 8.173 -5.255 1.044 251 HD12 LEU 30 HD12 LEU 30 9.412 -4.054 0.681 252 HD13 LEU 30 HD13 LEU 30 8.758 -4.179 2.314 253 HD21 LEU 30 HD21 LEU 30 12.256 -5.831 1.814 254 HD22 LEU 30 HD22 LEU 30 11.598 -4.206 1.622 255 HD23 LEU 30 HD23 LEU 30 11.569 -5.335 0.267 256 H ASP 31 H ASP 31 11.503 -5.856 6.295 257 HA ASP 31 HA ASP 31 9.073 -6.156 7.778 258 HB2 ASP 31 HB2 ASP 31 11.975 -6.651 8.325 259 HB3 ASP 31 HB3 ASP 31 10.837 -6.624 9.670 260 H TRP 32 H TRP 32 11.799 -3.913 7.846 261 HA TRP 32 HA TRP 32 11.227 -2.540 10.187 262 HB2 TRP 32 HB2 TRP 32 12.483 -1.646 7.597 263 HB3 TRP 32 HB3 TRP 32 12.326 -0.563 8.978 264 HD1 TRP 32 HD1 TRP 32 13.003 -3.043 11.103 265 HE1 TRP 32 HE1 TRP 32 15.484 -3.660 11.393 266 HE3 TRP 32 HE3 TRP 32 14.853 -1.010 6.793 267 HZ2 TRP 32 HZ2 TRP 32 17.906 -3.329 9.982 268 HZ3 TRP 32 HZ3 TRP 32 17.264 -1.204 6.338 269 HH2 TRP 32 HH2 TRP 32 18.757 -2.338 7.901 270 H LEU 33 H LEU 33 10.101 -1.815 6.887 271 HA LEU 33 HA LEU 33 8.588 0.433 7.427 272 HB2 LEU 33 HB2 LEU 33 8.192 -1.775 5.427 273 HB3 LEU 33 HB3 LEU 33 7.168 -0.341 5.470 274 HG LEU 33 HG LEU 33 10.155 -0.200 5.120 275 HD11 LEU 33 HD11 LEU 33 9.190 0.349 2.670 276 HD12 LEU 33 HD12 LEU 33 8.042 -0.887 3.185 277 HD13 LEU 33 HD13 LEU 33 9.769 -1.243 3.161 278 HD21 LEU 33 HD21 LEU 33 8.396 1.751 5.767 279 HD22 LEU 33 HD22 LEU 33 8.345 1.833 4.005 280 HD23 LEU 33 HD23 LEU 33 9.881 2.017 4.854 281 H ASN 34 H ASN 34 7.779 -2.957 7.887 282 HA ASN 34 HA ASN 34 5.027 -2.550 8.463 283 HB2 ASN 34 HB2 ASN 34 6.965 -4.794 8.735 284 HB3 ASN 34 HB3 ASN 34 5.496 -4.872 9.704 285 HD21 ASN 34 HD21 ASN 34 6.634 -4.354 6.398 286 HD22 ASN 34 HD22 ASN 34 5.280 -5.104 5.629 287 H ALA 35 H ALA 35 7.775 -3.296 10.614 288 HA ALA 35 HA ALA 35 6.402 -2.952 13.025 289 HB1 ALA 35 HB1 ALA 35 9.296 -2.841 12.272 290 HB2 ALA 35 HB2 ALA 35 8.780 -2.465 13.916 291 HB3 ALA 35 HB3 ALA 35 8.434 -4.050 13.224 292 H GLY 36 H GLY 36 7.696 -0.634 10.798 293 HA2 GLY 36 HA2 GLY 36 6.350 1.537 11.953 294 HA3 GLY 36 HA3 GLY 36 8.013 1.568 12.522 295 H GLN 37 H GLN 37 5.940 2.607 10.137 296 HA GLN 37 HA GLN 37 7.781 2.635 7.935 297 HB2 GLN 37 HB2 GLN 37 6.072 4.122 6.877 298 HB3 GLN 37 HB3 GLN 37 5.438 2.577 7.429 299 HG2 GLN 37 HG2 GLN 37 4.277 3.534 9.189 300 HG3 GLN 37 HG3 GLN 37 5.263 4.995 9.173 301 HE21 GLN 37 HE21 GLN 37 4.266 6.708 8.421 302 HE22 GLN 37 HE22 GLN 37 3.006 6.724 7.240 303 H ALA 38 H ALA 38 9.387 3.626 9.634 304 HA ALA 38 HA ALA 38 9.189 6.559 9.570 305 HB1 ALA 38 HB1 ALA 38 11.235 6.199 11.219 306 HB2 ALA 38 HB2 ALA 38 9.562 6.114 11.771 307 HB3 ALA 38 HB3 ALA 38 10.456 4.631 11.436 308 H ILE 39 H ILE 39 10.008 7.127 7.609 309 HA ILE 39 HA ILE 39 12.080 5.924 6.215 310 HB ILE 39 HB ILE 39 11.349 8.855 6.217 311 HG12 ILE 39 HG12 ILE 39 9.455 7.362 5.698 312 HG13 ILE 39 HG13 ILE 39 9.947 8.304 4.294 313 HG21 ILE 39 HG21 ILE 39 12.294 8.738 3.874 314 HG22 ILE 39 HG22 ILE 39 13.466 8.656 5.189 315 HG23 ILE 39 HG23 ILE 39 12.996 7.187 4.334 316 HD11 ILE 39 HD11 ILE 39 9.755 5.471 4.599 317 HD12 ILE 39 HD12 ILE 39 10.078 6.421 3.148 318 HD13 ILE 39 HD13 ILE 39 11.410 5.916 4.187 319 H ASP 40 H ASP 40 12.273 8.773 8.350 320 HA ASP 40 HA ASP 40 15.010 9.195 8.204 321 HB2 ASP 40 HB2 ASP 40 13.247 10.650 9.330 322 HB3 ASP 40 HB3 ASP 40 13.398 9.584 10.724 323 H TRP 41 H TRP 41 13.227 6.757 9.910 324 HA TRP 41 HA TRP 41 15.497 5.977 11.541 325 HB2 TRP 41 HB2 TRP 41 13.095 5.864 12.332 326 HB3 TRP 41 HB3 TRP 41 12.874 4.515 11.220 327 HD1 TRP 41 HD1 TRP 41 14.575 5.431 14.517 328 HE1 TRP 41 HE1 TRP 41 15.295 3.263 15.704 329 HE3 TRP 41 HE3 TRP 41 13.555 2.086 10.788 330 HZ2 TRP 41 HZ2 TRP 41 15.415 0.501 15.134 331 HZ3 TRP 41 HZ3 TRP 41 14.001 -0.300 11.189 332 HH2 TRP 41 HH2 TRP 41 14.912 -1.074 13.318 333 H VAL 42 H VAL 42 14.034 5.121 8.527 334 HA VAL 42 HA VAL 42 15.302 2.535 8.344 335 HB VAL 42 HB VAL 42 13.901 4.168 6.222 336 HG11 VAL 42 HG11 VAL 42 15.227 1.517 6.195 337 HG12 VAL 42 HG12 VAL 42 13.705 1.676 5.316 338 HG13 VAL 42 HG13 VAL 42 15.070 2.719 4.915 339 HG21 VAL 42 HG21 VAL 42 12.604 1.742 7.171 340 HG22 VAL 42 HG22 VAL 42 12.809 2.951 8.438 341 HG23 VAL 42 HG23 VAL 42 11.949 3.365 6.955 342 H VAL 43 H VAL 43 15.871 5.791 7.125 343 HA VAL 43 HA VAL 43 18.022 5.065 5.396 344 HB VAL 43 HB VAL 43 17.362 7.768 6.573 345 HG11 VAL 43 HG11 VAL 43 19.439 8.175 5.759 346 HG12 VAL 43 HG12 VAL 43 19.382 6.821 4.629 347 HG13 VAL 43 HG13 VAL 43 18.548 8.327 4.245 348 HG21 VAL 43 HG21 VAL 43 15.514 6.765 5.276 349 HG22 VAL 43 HG22 VAL 43 16.178 8.209 4.511 350 HG23 VAL 43 HG23 VAL 43 16.598 6.611 3.894 351 H SER 44 H SER 44 17.786 6.231 8.716 352 HA SER 44 HA SER 44 20.502 6.750 9.164 353 HB2 SER 44 HB2 SER 44 18.282 5.928 11.040 354 HB3 SER 44 HB3 SER 44 19.902 6.338 11.601 355 HG SER 44 HG SER 44 19.467 8.373 11.312 356 H LYS 45 H LYS 45 18.803 3.790 8.823 357 HA LYS 45 HA LYS 45 20.925 2.237 10.095 358 HB2 LYS 45 HB2 LYS 45 18.349 1.801 10.269 359 HB3 LYS 45 HB3 LYS 45 18.562 1.024 8.706 360 HG2 LYS 45 HG2 LYS 45 19.771 -0.706 9.571 361 HG3 LYS 45 HG3 LYS 45 20.392 0.254 10.916 362 HD2 LYS 45 HD2 LYS 45 17.481 -0.442 10.726 363 HD3 LYS 45 HD3 LYS 45 18.645 -1.580 11.407 364 HE2 LYS 45 HE2 LYS 45 18.527 1.254 12.370 365 HE3 LYS 45 HE3 LYS 45 17.400 0.047 12.988 366 HZ1 LYS 45 HZ1 LYS 45 19.231 0.094 14.453 367 HZ2 LYS 45 HZ2 LYS 45 20.356 0.031 13.191 368 HZ3 LYS 45 HZ3 LYS 45 19.404 -1.322 13.543 369 H ILE 46 H ILE 46 21.151 3.768 7.494 370 HA ILE 46 HA ILE 46 21.921 1.512 5.762 371 HB ILE 46 HB ILE 46 21.275 4.352 4.960 372 HG12 ILE 46 HG12 ILE 46 19.756 1.771 4.520 373 HG13 ILE 46 HG13 ILE 46 19.289 3.065 5.618 374 HG21 ILE 46 HG21 ILE 46 21.973 1.953 3.271 375 HG22 ILE 46 HG22 ILE 46 21.466 3.528 2.662 376 HG23 ILE 46 HG23 ILE 46 22.989 3.370 3.538 377 HD11 ILE 46 HD11 ILE 46 19.072 2.896 2.678 378 HD12 ILE 46 HD12 ILE 46 17.982 3.617 3.863 379 HD13 ILE 46 HD13 ILE 46 19.440 4.476 3.368 380 H LYS 47 H LYS 47 22.977 4.433 7.327 381 HA LYS 47 HA LYS 47 25.572 4.366 6.003 382 HB2 LYS 47 HB2 LYS 47 26.032 6.435 7.170 383 HB3 LYS 47 HB3 LYS 47 24.443 6.533 6.421 384 HG2 LYS 47 HG2 LYS 47 24.302 5.527 9.134 385 HG3 LYS 47 HG3 LYS 47 25.069 7.115 9.047 386 HD2 LYS 47 HD2 LYS 47 22.523 6.582 7.565 387 HD3 LYS 47 HD3 LYS 47 22.487 6.951 9.291 388 HE2 LYS 47 HE2 LYS 47 22.278 9.055 8.402 389 HE3 LYS 47 HE3 LYS 47 24.029 8.948 8.575 390 HZ1 LYS 47 HZ1 LYS 47 22.890 8.022 6.056 391 HZ2 LYS 47 HZ2 LYS 47 24.336 8.848 6.350 392 HZ3 LYS 47 HZ3 LYS 47 22.870 9.692 6.331 393 H GLN 48 H GLN 48 24.337 2.485 8.216 394 HA GLN 48 HA GLN 48 26.742 2.483 9.920 395 HB2 GLN 48 HB2 GLN 48 25.324 1.329 11.622 396 HB3 GLN 48 HB3 GLN 48 24.822 2.977 11.272 397 HG2 GLN 48 HG2 GLN 48 22.948 2.270 10.060 398 HG3 GLN 48 HG3 GLN 48 23.557 0.622 9.919 399 HE21 GLN 48 HE21 GLN 48 22.045 2.954 12.007 400 HE22 GLN 48 HE22 GLN 48 21.519 1.835 13.214 401 H ILE 49 H ILE 49 24.628 0.642 7.873 402 HA ILE 49 HA ILE 49 25.663 -1.931 8.566 403 HB ILE 49 HB ILE 49 24.169 -1.075 6.084 404 HG12 ILE 49 HG12 ILE 49 22.868 -0.670 8.106 405 HG13 ILE 49 HG13 ILE 49 22.201 -2.041 7.226 406 HG21 ILE 49 HG21 ILE 49 23.593 -3.690 6.411 407 HG22 ILE 49 HG22 ILE 49 24.884 -3.089 5.373 408 HG23 ILE 49 HG23 ILE 49 25.254 -3.652 7.002 409 HD11 ILE 49 HD11 ILE 49 22.194 -3.009 9.241 410 HD12 ILE 49 HD12 ILE 49 23.903 -3.295 8.909 411 HD13 ILE 49 HD13 ILE 49 23.414 -1.912 9.888 412 H LEU 50 H LEU 50 25.915 -0.125 5.497 413 HA LEU 50 HA LEU 50 28.296 -1.613 4.788 414 HB2 LEU 50 HB2 LEU 50 27.204 0.705 3.241 415 HB3 LEU 50 HB3 LEU 50 28.084 -0.704 2.654 416 HG LEU 50 HG LEU 50 25.270 -0.819 3.728 417 HD11 LEU 50 HD11 LEU 50 25.822 0.555 1.536 418 HD12 LEU 50 HD12 LEU 50 24.406 -0.491 1.648 419 HD13 LEU 50 HD13 LEU 50 25.860 -1.061 0.829 420 HD21 LEU 50 HD21 LEU 50 27.094 -2.763 2.350 421 HD22 LEU 50 HD22 LEU 50 25.342 -2.959 2.327 422 HD23 LEU 50 HD23 LEU 50 26.210 -2.957 3.863 423 H GLY 51 H GLY 51 27.425 1.746 5.531 424 HA2 GLY 51 HA2 GLY 51 28.953 3.072 6.867 425 HA3 GLY 51 HA3 GLY 51 30.283 2.253 6.061 426 H ILE 52 H ILE 52 27.385 3.672 4.605 427 HA ILE 52 HA ILE 52 28.826 4.938 2.542 428 HB ILE 52 HB ILE 52 26.412 4.332 2.417 429 HG12 ILE 52 HG12 ILE 52 25.731 6.365 1.166 430 HG13 ILE 52 HG13 ILE 52 27.100 7.227 1.859 431 HG21 ILE 52 HG21 ILE 52 25.425 6.800 3.560 432 HG22 ILE 52 HG22 ILE 52 24.889 5.141 3.824 433 HG23 ILE 52 HG23 ILE 52 26.229 5.796 4.766 434 HD11 ILE 52 HD11 ILE 52 27.833 4.735 0.534 435 HD12 ILE 52 HD12 ILE 52 27.093 5.929 -0.533 436 HD13 ILE 52 HD13 ILE 52 28.532 6.348 0.396 437 H LYS 53 H LYS 53 29.417 7.063 2.211 438 HA LYS 53 HA LYS 53 29.383 8.781 4.606 439 HB2 LYS 53 HB2 LYS 53 31.631 7.856 3.783 440 HB3 LYS 53 HB3 LYS 53 31.441 8.940 2.411 441 HG2 LYS 53 HG2 LYS 53 31.396 10.856 3.888 442 HG3 LYS 53 HG3 LYS 53 31.483 9.797 5.298 443 HD2 LYS 53 HD2 LYS 53 33.670 8.955 4.438 444 HD3 LYS 53 HD3 LYS 53 33.587 10.180 3.170 445 HE2 LYS 53 HE2 LYS 53 33.238 11.813 5.181 446 HE3 LYS 53 HE3 LYS 53 33.975 10.511 6.114 447 HZ1 LYS 53 HZ1 LYS 53 35.711 10.645 4.152 448 HZ2 LYS 53 HZ2 LYS 53 35.830 11.640 5.514 449 HZ3 LYS 53 HZ3 LYS 53 35.160 12.243 4.083 Start of MODEL 13 1 H1 MET 1 H MET 1 0.550 -2.723 0.346 2 HA MET 1 HA MET 1 1.336 -0.436 -1.295 3 HB2 MET 1 HB2 MET 1 0.553 0.094 0.931 4 HB3 MET 1 HB3 MET 1 1.707 -1.024 1.645 5 HG2 MET 1 HG2 MET 1 2.543 1.172 1.956 6 HG3 MET 1 HG3 MET 1 3.538 0.391 0.728 7 HE1 MET 1 HE1 MET 1 3.152 3.411 1.602 8 HE2 MET 1 HE2 MET 1 2.480 4.454 0.348 9 HE3 MET 1 HE3 MET 1 1.407 3.634 1.483 10 H ALA 2 H ALA 2 3.178 -0.474 -2.386 11 HA ALA 2 HA ALA 2 5.275 -2.361 -1.565 12 HB1 ALA 2 HB1 ALA 2 6.151 -2.027 -3.877 13 HB2 ALA 2 HB2 ALA 2 4.538 -2.740 -3.807 14 HB3 ALA 2 HB3 ALA 2 4.732 -1.035 -4.215 15 H GLY 3 H GLY 3 5.516 -0.477 0.131 16 HA2 GLY 3 HA2 GLY 3 6.723 1.948 -0.612 17 HA3 GLY 3 HA3 GLY 3 6.859 1.186 0.965 18 H PHE 4 H PHE 4 7.995 -1.240 -0.546 19 HA PHE 4 HA PHE 4 10.671 -0.848 0.020 20 HB2 PHE 4 HB2 PHE 4 9.886 -3.075 -0.281 21 HB3 PHE 4 HB3 PHE 4 9.324 -2.731 -1.913 22 HD1 PHE 4 HD1 PHE 4 12.241 -3.427 0.181 23 HD2 PHE 4 HD2 PHE 4 10.852 -2.686 -3.773 24 HE1 PHE 4 HE1 PHE 4 14.390 -4.220 -0.718 25 HE2 PHE 4 HE2 PHE 4 12.997 -3.478 -4.679 26 HZ PHE 4 HZ PHE 4 14.770 -4.247 -3.152 27 H LEU 5 H LEU 5 9.288 -0.954 -3.269 28 HA LEU 5 HA LEU 5 11.543 -0.038 -4.610 29 HB2 LEU 5 HB2 LEU 5 8.616 0.058 -5.232 30 HB3 LEU 5 HB3 LEU 5 9.791 0.793 -6.320 31 HG LEU 5 HG LEU 5 10.470 -1.953 -5.632 32 HD11 LEU 5 HD11 LEU 5 7.711 -1.342 -6.331 33 HD12 LEU 5 HD12 LEU 5 8.425 -2.837 -5.729 34 HD13 LEU 5 HD13 LEU 5 8.479 -2.466 -7.452 35 HD21 LEU 5 HD21 LEU 5 11.304 -1.925 -7.714 36 HD22 LEU 5 HD22 LEU 5 11.038 -0.183 -7.620 37 HD23 LEU 5 HD23 LEU 5 9.841 -1.218 -8.399 38 H LYS 6 H LYS 6 9.243 1.685 -2.704 39 HA LYS 6 HA LYS 6 9.820 4.280 -3.795 40 HB2 LYS 6 HB2 LYS 6 8.569 3.709 -1.113 41 HB3 LYS 6 HB3 LYS 6 8.374 5.141 -2.114 42 HG2 LYS 6 HG2 LYS 6 7.393 2.393 -2.853 43 HG3 LYS 6 HG3 LYS 6 6.402 3.656 -2.120 44 HD2 LYS 6 HD2 LYS 6 7.055 5.119 -4.081 45 HD3 LYS 6 HD3 LYS 6 7.718 3.664 -4.828 46 HE2 LYS 6 HE2 LYS 6 5.461 2.605 -4.530 47 HE3 LYS 6 HE3 LYS 6 4.859 4.186 -4.033 48 HZ1 LYS 6 HZ1 LYS 6 4.420 4.357 -6.220 49 HZ2 LYS 6 HZ2 LYS 6 5.595 3.229 -6.676 50 HZ3 LYS 6 HZ3 LYS 6 6.045 4.820 -6.320 51 H VAL 7 H VAL 7 10.898 2.375 -1.036 52 HA VAL 7 HA VAL 7 12.557 4.529 -0.028 53 HB VAL 7 HB VAL 7 13.274 2.892 1.680 54 HG11 VAL 7 HG11 VAL 7 10.354 3.374 1.202 55 HG12 VAL 7 HG12 VAL 7 10.915 2.505 2.632 56 HG13 VAL 7 HG13 VAL 7 11.439 4.165 2.346 57 HG21 VAL 7 HG21 VAL 7 12.571 0.682 1.734 58 HG22 VAL 7 HG22 VAL 7 11.246 0.968 0.605 59 HG23 VAL 7 HG23 VAL 7 12.911 0.937 0.022 60 H VAL 8 H VAL 8 12.831 2.008 -2.286 61 HA VAL 8 HA VAL 8 15.691 1.656 -2.003 62 HB VAL 8 HB VAL 8 13.762 0.628 -4.087 63 HG11 VAL 8 HG11 VAL 8 15.624 0.390 -5.325 64 HG12 VAL 8 HG12 VAL 8 16.695 0.580 -3.935 65 HG13 VAL 8 HG13 VAL 8 15.938 -0.980 -4.260 66 HG21 VAL 8 HG21 VAL 8 13.343 -1.063 -2.704 67 HG22 VAL 8 HG22 VAL 8 15.063 -1.354 -2.450 68 HG23 VAL 8 HG23 VAL 8 14.211 -0.178 -1.449 69 H GLN 9 H GLN 9 13.475 3.525 -3.933 70 HA GLN 9 HA GLN 9 15.317 4.231 -5.985 71 HB2 GLN 9 HB2 GLN 9 13.666 5.934 -6.600 72 HB3 GLN 9 HB3 GLN 9 12.901 4.374 -6.330 73 HG2 GLN 9 HG2 GLN 9 11.807 5.071 -4.459 74 HG3 GLN 9 HG3 GLN 9 13.034 6.270 -4.054 75 HE21 GLN 9 HE21 GLN 9 13.166 8.146 -5.555 76 HE22 GLN 9 HE22 GLN 9 11.683 8.785 -6.167 77 H LEU 10 H LEU 10 14.761 5.340 -2.774 78 HA LEU 10 HA LEU 10 15.834 7.957 -3.052 79 HB2 LEU 10 HB2 LEU 10 15.085 6.162 -0.829 80 HB3 LEU 10 HB3 LEU 10 16.270 7.413 -0.457 81 HG LEU 10 HG LEU 10 13.953 8.061 0.102 82 HD11 LEU 10 HD11 LEU 10 15.907 9.547 -1.229 83 HD12 LEU 10 HD12 LEU 10 14.580 10.160 -0.242 84 HD13 LEU 10 HD13 LEU 10 14.378 9.992 -1.986 85 HD21 LEU 10 HD21 LEU 10 12.238 8.081 -1.373 86 HD22 LEU 10 HD22 LEU 10 13.191 6.809 -2.138 87 HD23 LEU 10 HD23 LEU 10 13.276 8.463 -2.747 88 H LEU 11 H LEU 11 17.225 4.807 -2.649 89 HA LEU 11 HA LEU 11 19.775 5.655 -1.704 90 HB2 LEU 11 HB2 LEU 11 18.685 3.134 -2.883 91 HB3 LEU 11 HB3 LEU 11 20.425 3.329 -2.680 92 HG LEU 11 HG LEU 11 19.499 2.077 -0.830 93 HD11 LEU 11 HD11 LEU 11 21.145 4.265 -0.624 94 HD12 LEU 11 HD12 LEU 11 20.867 3.058 0.632 95 HD13 LEU 11 HD13 LEU 11 19.938 4.558 0.629 96 HD21 LEU 11 HD21 LEU 11 17.261 3.578 -1.137 97 HD22 LEU 11 HD22 LEU 11 17.975 4.323 0.294 98 HD23 LEU 11 HD23 LEU 11 17.617 2.595 0.284 99 H ALA 12 H ALA 12 18.262 5.647 -4.776 100 HA ALA 12 HA ALA 12 20.341 5.317 -6.558 101 HB1 ALA 12 HB1 ALA 12 18.977 6.241 -8.146 102 HB2 ALA 12 HB2 ALA 12 17.789 5.861 -6.898 103 HB3 ALA 12 HB3 ALA 12 18.394 7.509 -7.067 104 H LYS 13 H LYS 13 19.189 8.489 -5.389 105 HA LYS 13 HA LYS 13 21.258 10.026 -6.386 106 HB2 LYS 13 HB2 LYS 13 20.628 11.710 -4.750 107 HB3 LYS 13 HB3 LYS 13 19.189 10.946 -5.411 108 HG2 LYS 13 HG2 LYS 13 18.573 10.820 -3.261 109 HG3 LYS 13 HG3 LYS 13 19.615 9.396 -3.242 110 HD2 LYS 13 HD2 LYS 13 20.499 10.495 -1.456 111 HD3 LYS 13 HD3 LYS 13 21.462 11.244 -2.731 112 HE2 LYS 13 HE2 LYS 13 18.849 12.469 -1.984 113 HE3 LYS 13 HE3 LYS 13 20.234 12.702 -0.918 114 HZ1 LYS 13 HZ1 LYS 13 21.373 13.318 -3.192 115 HZ2 LYS 13 HZ2 LYS 13 20.506 14.464 -2.300 116 HZ3 LYS 13 HZ3 LYS 13 19.784 13.704 -3.627 117 H TYR 14 H TYR 14 21.133 8.095 -3.462 118 HA TYR 14 HA TYR 14 23.477 9.128 -2.255 119 HB2 TYR 14 HB2 TYR 14 21.800 6.683 -1.887 120 HB3 TYR 14 HB3 TYR 14 23.391 6.734 -1.137 121 HD1 TYR 14 HD2 TYR 14 23.801 9.220 0.004 122 HD2 TYR 14 HD1 TYR 14 20.078 7.214 -0.461 123 HE1 TYR 14 HE2 TYR 14 22.878 10.510 1.883 124 HE2 TYR 14 HE1 TYR 14 19.144 8.500 1.416 125 HH TYR 14 HH TYR 14 20.674 11.229 2.715 126 H GLY 15 H GLY 15 22.888 6.257 -4.272 127 HA2 GLY 15 HA2 GLY 15 25.108 6.299 -5.822 128 HA3 GLY 15 HA3 GLY 15 25.696 5.579 -4.330 129 H SER 16 H SER 16 25.369 4.481 -7.082 130 HA SER 16 HA SER 16 23.232 2.668 -7.186 131 HB2 SER 16 HB2 SER 16 24.494 1.529 -8.928 132 HB3 SER 16 HB3 SER 16 24.659 3.274 -9.130 133 HG SER 16 HG SER 16 26.724 3.105 -8.773 134 H LYS 17 H LYS 17 26.221 2.597 -5.451 135 HA LYS 17 HA LYS 17 26.335 -0.214 -5.006 136 HB2 LYS 17 HB2 LYS 17 28.254 1.422 -4.779 137 HB3 LYS 17 HB3 LYS 17 27.531 1.941 -3.262 138 HG2 LYS 17 HG2 LYS 17 28.075 0.005 -2.178 139 HG3 LYS 17 HG3 LYS 17 28.060 -0.958 -3.658 140 HD2 LYS 17 HD2 LYS 17 30.327 -0.800 -3.016 141 HD3 LYS 17 HD3 LYS 17 30.129 0.336 -4.351 142 HE2 LYS 17 HE2 LYS 17 31.450 1.336 -2.577 143 HE3 LYS 17 HE3 LYS 17 29.906 2.173 -2.739 144 HZ1 LYS 17 HZ1 LYS 17 29.648 0.070 -0.882 145 HZ2 LYS 17 HZ2 LYS 17 29.457 1.731 -0.631 146 HZ3 LYS 17 HZ3 LYS 17 30.981 1.019 -0.452 147 H ALA 18 H ALA 18 24.615 2.407 -3.535 148 HA ALA 18 HA ALA 18 23.997 0.974 -1.107 149 HB1 ALA 18 HB1 ALA 18 22.423 3.353 -1.935 150 HB2 ALA 18 HB2 ALA 18 23.060 2.910 -0.351 151 HB3 ALA 18 HB3 ALA 18 24.136 3.574 -1.579 152 H VAL 19 H VAL 19 22.098 2.118 -3.903 153 HA VAL 19 HA VAL 19 19.659 1.000 -3.253 154 HB VAL 19 HB VAL 19 20.003 2.518 -5.164 155 HG11 VAL 19 HG11 VAL 19 22.072 1.529 -6.022 156 HG12 VAL 19 HG12 VAL 19 21.174 0.100 -6.537 157 HG13 VAL 19 HG13 VAL 19 20.847 1.664 -7.284 158 HG21 VAL 19 HG21 VAL 19 17.988 1.778 -5.737 159 HG22 VAL 19 HG22 VAL 19 18.763 0.578 -6.772 160 HG23 VAL 19 HG23 VAL 19 18.353 0.172 -5.105 161 H GLN 20 H GLN 20 22.501 -0.532 -4.607 162 HA GLN 20 HA GLN 20 21.310 -2.933 -5.463 163 HB2 GLN 20 HB2 GLN 20 23.665 -2.051 -5.952 164 HB3 GLN 20 HB3 GLN 20 24.115 -2.720 -4.389 165 HG2 GLN 20 HG2 GLN 20 23.279 -4.934 -5.190 166 HG3 GLN 20 HG3 GLN 20 23.083 -4.211 -6.786 167 HE21 GLN 20 HE21 GLN 20 24.617 -6.197 -6.994 168 HE22 GLN 20 HE22 GLN 20 26.301 -5.810 -6.988 169 H TRP 21 H TRP 21 22.690 -1.958 -2.359 170 HA TRP 21 HA TRP 21 22.670 -4.391 -1.038 171 HB2 TRP 21 HB2 TRP 21 23.621 -2.277 -0.135 172 HB3 TRP 21 HB3 TRP 21 21.983 -1.702 0.166 173 HD1 TRP 21 HD1 TRP 21 24.111 -4.797 1.183 174 HE1 TRP 21 HE1 TRP 21 23.559 -5.356 3.634 175 HE3 TRP 21 HE3 TRP 21 20.568 -1.216 2.054 176 HZ2 TRP 21 HZ2 TRP 21 21.848 -4.405 5.667 177 HZ3 TRP 21 HZ3 TRP 21 19.522 -1.109 4.278 178 HH2 TRP 21 HH2 TRP 21 20.149 -2.671 6.046 179 H ALA 22 H ALA 22 20.084 -1.931 -0.999 180 HA ALA 22 HA ALA 22 18.201 -3.327 0.460 181 HB1 ALA 22 HB1 ALA 22 17.986 -0.967 -0.207 182 HB2 ALA 22 HB2 ALA 22 17.637 -1.482 -1.858 183 HB3 ALA 22 HB3 ALA 22 16.529 -1.899 -0.551 184 H TRP 23 H TRP 23 18.600 -3.302 -3.081 185 HA TRP 23 HA TRP 23 16.533 -5.065 -3.699 186 HB2 TRP 23 HB2 TRP 23 19.027 -4.181 -5.060 187 HB3 TRP 23 HB3 TRP 23 18.226 -5.617 -5.692 188 HD1 TRP 23 HD1 TRP 23 17.923 -1.853 -5.547 189 HE1 TRP 23 HE1 TRP 23 15.924 -1.104 -6.985 190 HE3 TRP 23 HE3 TRP 23 15.830 -6.425 -6.470 191 HZ2 TRP 23 HZ2 TRP 23 13.747 -2.294 -8.331 192 HZ3 TRP 23 HZ3 TRP 23 13.789 -6.532 -7.841 193 HH2 TRP 23 HH2 TRP 23 12.771 -4.509 -8.751 194 H ALA 24 H ALA 24 19.794 -5.675 -2.583 195 HA ALA 24 HA ALA 24 19.872 -8.444 -3.174 196 HB1 ALA 24 HB1 ALA 24 21.520 -8.066 -0.973 197 HB2 ALA 24 HB2 ALA 24 21.991 -7.989 -2.672 198 HB3 ALA 24 HB3 ALA 24 21.543 -6.515 -1.814 199 H ASN 25 H ASN 25 19.828 -7.050 0.100 200 HA ASN 25 HA ASN 25 18.658 -9.402 1.209 201 HB2 ASN 25 HB2 ASN 25 19.029 -6.654 2.422 202 HB3 ASN 25 HB3 ASN 25 18.599 -8.112 3.313 203 HD21 ASN 25 HD21 ASN 25 21.112 -6.285 1.886 204 HD22 ASN 25 HD22 ASN 25 22.424 -7.316 2.335 205 H LYS 26 H LYS 26 16.603 -9.952 0.968 206 HA LYS 26 HA LYS 26 14.575 -7.822 0.811 207 HB2 LYS 26 HB2 LYS 26 14.603 -10.625 -0.307 208 HB3 LYS 26 HB3 LYS 26 13.149 -9.638 -0.243 209 HG2 LYS 26 HG2 LYS 26 15.667 -8.760 -1.629 210 HG3 LYS 26 HG3 LYS 26 14.372 -9.649 -2.436 211 HD2 LYS 26 HD2 LYS 26 13.744 -7.157 -0.906 212 HD3 LYS 26 HD3 LYS 26 14.419 -7.043 -2.533 213 HE2 LYS 26 HE2 LYS 26 12.011 -8.729 -1.907 214 HE3 LYS 26 HE3 LYS 26 11.879 -7.020 -2.317 215 HZ1 LYS 26 HZ1 LYS 26 13.193 -7.610 -4.378 216 HZ2 LYS 26 HZ2 LYS 26 11.598 -8.169 -4.319 217 HZ3 LYS 26 HZ3 LYS 26 12.878 -9.231 -4.010 218 H GLY 27 H GLY 27 15.746 -9.019 3.255 219 HA2 GLY 27 HA2 GLY 27 13.201 -9.732 4.516 220 HA3 GLY 27 HA3 GLY 27 14.537 -10.863 4.683 221 H LYS 28 H LYS 28 15.331 -7.523 4.541 222 HA LYS 28 HA LYS 28 15.623 -7.445 7.471 223 HB2 LYS 28 HB2 LYS 28 17.579 -6.260 5.497 224 HB3 LYS 28 HB3 LYS 28 17.752 -6.336 7.246 225 HG2 LYS 28 HG2 LYS 28 17.598 -8.768 5.482 226 HG3 LYS 28 HG3 LYS 28 19.111 -7.998 5.968 227 HD2 LYS 28 HD2 LYS 28 18.484 -8.346 8.334 228 HD3 LYS 28 HD3 LYS 28 17.031 -9.195 7.800 229 HE2 LYS 28 HE2 LYS 28 18.572 -10.895 8.267 230 HE3 LYS 28 HE3 LYS 28 18.612 -10.730 6.512 231 HZ1 LYS 28 HZ1 LYS 28 20.725 -10.042 6.548 232 HZ2 LYS 28 HZ2 LYS 28 20.780 -10.725 8.095 233 HZ3 LYS 28 HZ3 LYS 28 20.509 -9.065 7.912 234 H ILE 29 H ILE 29 15.354 -5.550 4.491 235 HA ILE 29 HA ILE 29 14.740 -3.126 5.942 236 HB ILE 29 HB ILE 29 14.587 -3.669 2.974 237 HG12 ILE 29 HG12 ILE 29 16.778 -2.401 4.632 238 HG13 ILE 29 HG13 ILE 29 16.857 -3.977 3.851 239 HG21 ILE 29 HG21 ILE 29 13.775 -1.618 2.729 240 HG22 ILE 29 HG22 ILE 29 13.604 -1.521 4.481 241 HG23 ILE 29 HG23 ILE 29 15.077 -0.938 3.705 242 HD11 ILE 29 HD11 ILE 29 18.045 -2.562 2.440 243 HD12 ILE 29 HD12 ILE 29 16.463 -2.706 1.671 244 HD13 ILE 29 HD13 ILE 29 16.865 -1.260 2.598 245 H LEU 30 H LEU 30 13.012 -5.553 4.059 246 HA LEU 30 HA LEU 30 10.548 -4.302 3.798 247 HB2 LEU 30 HB2 LEU 30 11.395 -7.159 4.009 248 HB3 LEU 30 HB3 LEU 30 9.681 -6.754 3.972 249 HG LEU 30 HG LEU 30 10.468 -7.389 1.765 250 HD11 LEU 30 HD11 LEU 30 9.646 -5.501 0.525 251 HD12 LEU 30 HD12 LEU 30 9.956 -4.422 1.884 252 HD13 LEU 30 HD13 LEU 30 8.710 -5.662 2.011 253 HD21 LEU 30 HD21 LEU 30 12.820 -6.746 2.055 254 HD22 LEU 30 HD22 LEU 30 12.355 -5.046 1.989 255 HD23 LEU 30 HD23 LEU 30 12.129 -6.078 0.576 256 H ASP 31 H ASP 31 12.050 -5.697 6.590 257 HA ASP 31 HA ASP 31 9.659 -5.956 8.145 258 HB2 ASP 31 HB2 ASP 31 12.597 -6.036 8.799 259 HB3 ASP 31 HB3 ASP 31 11.372 -6.090 10.065 260 H TRP 32 H TRP 32 12.189 -3.520 7.808 261 HA TRP 32 HA TRP 32 11.518 -1.856 9.930 262 HB2 TRP 32 HB2 TRP 32 12.700 -1.262 7.220 263 HB3 TRP 32 HB3 TRP 32 12.478 -0.012 8.441 264 HD1 TRP 32 HD1 TRP 32 13.340 -2.131 10.872 265 HE1 TRP 32 HE1 TRP 32 15.861 -2.530 11.203 266 HE3 TRP 32 HE3 TRP 32 15.016 -0.574 6.300 267 HZ2 TRP 32 HZ2 TRP 32 18.245 -2.224 9.722 268 HZ3 TRP 32 HZ3 TRP 32 17.431 -0.659 5.837 269 HH2 TRP 32 HH2 TRP 32 19.010 -1.466 7.515 270 H LEU 33 H LEU 33 10.391 -1.662 6.553 271 HA LEU 33 HA LEU 33 8.694 0.500 6.784 272 HB2 LEU 33 HB2 LEU 33 8.429 -1.987 5.108 273 HB3 LEU 33 HB3 LEU 33 7.391 -0.574 4.924 274 HG LEU 33 HG LEU 33 10.385 -0.500 4.585 275 HD11 LEU 33 HD11 LEU 33 8.231 -0.802 2.498 276 HD12 LEU 33 HD12 LEU 33 9.461 -1.993 2.920 277 HD13 LEU 33 HD13 LEU 33 9.931 -0.468 2.169 278 HD21 LEU 33 HD21 LEU 33 8.505 1.525 4.911 279 HD22 LEU 33 HD22 LEU 33 8.806 1.465 3.173 280 HD23 LEU 33 HD23 LEU 33 10.149 1.692 4.294 281 H ASN 34 H ASN 34 8.007 -2.913 7.455 282 HA ASN 34 HA ASN 34 5.274 -2.484 8.131 283 HB2 ASN 34 HB2 ASN 34 7.182 -4.770 8.622 284 HB3 ASN 34 HB3 ASN 34 5.511 -4.800 9.178 285 HD21 ASN 34 HD21 ASN 34 7.064 -6.360 7.134 286 HD22 ASN 34 HD22 ASN 34 6.096 -6.279 5.705 287 H ALA 35 H ALA 35 8.276 -2.315 9.874 288 HA ALA 35 HA ALA 35 6.858 -2.072 12.430 289 HB1 ALA 35 HB1 ALA 35 9.836 -2.179 11.994 290 HB2 ALA 35 HB2 ALA 35 8.957 -2.401 13.507 291 HB3 ALA 35 HB3 ALA 35 8.828 -3.607 12.227 292 H GLY 36 H GLY 36 6.885 -0.004 10.286 293 HA2 GLY 36 HA2 GLY 36 6.618 2.325 11.332 294 HA3 GLY 36 HA3 GLY 36 8.332 2.152 11.679 295 H GLN 37 H GLN 37 5.941 2.736 9.231 296 HA GLN 37 HA GLN 37 7.750 2.725 7.019 297 HB2 GLN 37 HB2 GLN 37 4.909 3.207 7.463 298 HB3 GLN 37 HB3 GLN 37 5.597 4.304 6.272 299 HG2 GLN 37 HG2 GLN 37 6.424 1.542 5.886 300 HG3 GLN 37 HG3 GLN 37 4.678 1.765 5.794 301 HE21 GLN 37 HE21 GLN 37 3.807 2.993 4.146 302 HE22 GLN 37 HE22 GLN 37 4.719 3.468 2.758 303 H ALA 38 H ALA 38 9.468 4.066 7.689 304 HA ALA 38 HA ALA 38 8.956 6.896 7.224 305 HB1 ALA 38 HB1 ALA 38 10.545 7.335 9.255 306 HB2 ALA 38 HB2 ALA 38 8.816 7.092 9.510 307 HB3 ALA 38 HB3 ALA 38 9.945 5.769 9.802 308 H ILE 39 H ILE 39 10.228 7.170 5.495 309 HA ILE 39 HA ILE 39 12.499 5.754 4.805 310 HB ILE 39 HB ILE 39 11.903 8.641 4.146 311 HG12 ILE 39 HG12 ILE 39 11.308 6.159 2.527 312 HG13 ILE 39 HG13 ILE 39 10.124 6.961 3.553 313 HG21 ILE 39 HG21 ILE 39 14.015 6.765 3.298 314 HG22 ILE 39 HG22 ILE 39 13.253 7.710 2.019 315 HG23 ILE 39 HG23 ILE 39 14.025 8.526 3.379 316 HD11 ILE 39 HD11 ILE 39 10.892 9.050 2.088 317 HD12 ILE 39 HD12 ILE 39 11.217 7.758 0.933 318 HD13 ILE 39 HD13 ILE 39 9.597 7.957 1.601 319 H ASP 40 H ASP 40 12.396 8.975 6.338 320 HA ASP 40 HA ASP 40 15.132 9.281 6.730 321 HB2 ASP 40 HB2 ASP 40 12.728 10.373 8.167 322 HB3 ASP 40 HB3 ASP 40 14.357 10.754 8.720 323 H TRP 41 H TRP 41 12.831 7.342 8.445 324 HA TRP 41 HA TRP 41 14.468 6.965 10.778 325 HB2 TRP 41 HB2 TRP 41 11.970 6.800 10.795 326 HB3 TRP 41 HB3 TRP 41 12.107 5.316 9.855 327 HD1 TRP 41 HD1 TRP 41 12.883 6.709 13.356 328 HE1 TRP 41 HE1 TRP 41 13.094 4.728 14.986 329 HE3 TRP 41 HE3 TRP 41 12.588 2.861 10.002 330 HZ2 TRP 41 HZ2 TRP 41 13.132 1.908 14.866 331 HZ3 TRP 41 HZ3 TRP 41 12.720 0.552 10.842 332 HH2 TRP 41 HH2 TRP 41 12.987 0.088 13.224 333 H VAL 42 H VAL 42 14.147 5.480 7.672 334 HA VAL 42 HA VAL 42 15.561 3.069 8.473 335 HB VAL 42 HB VAL 42 14.615 3.958 5.744 336 HG11 VAL 42 HG11 VAL 42 16.179 1.632 6.681 337 HG12 VAL 42 HG12 VAL 42 14.889 1.303 5.523 338 HG13 VAL 42 HG13 VAL 42 16.173 2.441 5.114 339 HG21 VAL 42 HG21 VAL 42 12.602 3.376 6.504 340 HG22 VAL 42 HG22 VAL 42 13.192 1.714 6.533 341 HG23 VAL 42 HG23 VAL 42 13.276 2.706 7.989 342 H VAL 43 H VAL 43 16.147 6.055 6.723 343 HA VAL 43 HA VAL 43 18.553 5.465 5.476 344 HB VAL 43 HB VAL 43 17.869 8.111 6.759 345 HG11 VAL 43 HG11 VAL 43 19.616 8.988 5.675 346 HG12 VAL 43 HG12 VAL 43 20.178 7.325 5.501 347 HG13 VAL 43 HG13 VAL 43 19.265 8.089 4.199 348 HG21 VAL 43 HG21 VAL 43 16.080 8.100 5.419 349 HG22 VAL 43 HG22 VAL 43 17.225 8.309 4.094 350 HG23 VAL 43 HG23 VAL 43 16.653 6.696 4.519 351 H SER 44 H SER 44 17.975 6.628 8.778 352 HA SER 44 HA SER 44 20.643 6.939 9.550 353 HB2 SER 44 HB2 SER 44 19.852 7.123 11.749 354 HB3 SER 44 HB3 SER 44 18.463 7.617 10.781 355 HG SER 44 HG SER 44 17.421 6.058 11.705 356 H LYS 45 H LYS 45 18.783 4.103 9.015 357 HA LYS 45 HA LYS 45 20.638 2.414 10.512 358 HB2 LYS 45 HB2 LYS 45 18.195 1.593 8.934 359 HB3 LYS 45 HB3 LYS 45 19.091 0.606 10.082 360 HG2 LYS 45 HG2 LYS 45 17.646 3.138 10.825 361 HG3 LYS 45 HG3 LYS 45 16.938 1.525 10.940 362 HD2 LYS 45 HD2 LYS 45 19.549 2.187 12.266 363 HD3 LYS 45 HD3 LYS 45 18.006 2.536 13.049 364 HE2 LYS 45 HE2 LYS 45 18.616 -0.190 11.958 365 HE3 LYS 45 HE3 LYS 45 19.169 0.295 13.560 366 HZ1 LYS 45 HZ1 LYS 45 17.125 -0.743 13.912 367 HZ2 LYS 45 HZ2 LYS 45 16.391 0.013 12.589 368 HZ3 LYS 45 HZ3 LYS 45 16.756 0.907 13.978 369 H ILE 46 H ILE 46 21.290 3.895 7.974 370 HA ILE 46 HA ILE 46 22.059 1.572 6.330 371 HB ILE 46 HB ILE 46 21.701 4.441 5.455 372 HG12 ILE 46 HG12 ILE 46 20.069 1.963 4.859 373 HG13 ILE 46 HG13 ILE 46 19.573 3.299 5.892 374 HG21 ILE 46 HG21 ILE 46 22.415 1.986 3.855 375 HG22 ILE 46 HG22 ILE 46 22.089 3.587 3.193 376 HG23 ILE 46 HG23 ILE 46 23.491 3.332 4.232 377 HD11 ILE 46 HD11 ILE 46 18.484 3.789 3.939 378 HD12 ILE 46 HD12 ILE 46 19.968 4.723 3.746 379 HD13 ILE 46 HD13 ILE 46 19.790 3.172 2.927 380 H LYS 47 H LYS 47 23.139 4.537 7.853 381 HA LYS 47 HA LYS 47 25.757 4.574 6.783 382 HB2 LYS 47 HB2 LYS 47 26.272 6.115 8.631 383 HB3 LYS 47 HB3 LYS 47 24.776 6.549 7.815 384 HG2 LYS 47 HG2 LYS 47 24.175 4.789 9.977 385 HG3 LYS 47 HG3 LYS 47 25.198 6.104 10.562 386 HD2 LYS 47 HD2 LYS 47 23.578 7.629 9.238 387 HD3 LYS 47 HD3 LYS 47 22.494 6.236 9.275 388 HE2 LYS 47 HE2 LYS 47 21.956 7.635 11.135 389 HE3 LYS 47 HE3 LYS 47 22.761 6.195 11.758 390 HZ1 LYS 47 HZ1 LYS 47 24.569 8.347 11.160 391 HZ2 LYS 47 HZ2 LYS 47 24.440 7.400 12.556 392 HZ3 LYS 47 HZ3 LYS 47 23.436 8.746 12.352 393 H GLN 48 H GLN 48 24.273 2.778 9.347 394 HA GLN 48 HA GLN 48 26.763 2.012 10.585 395 HB2 GLN 48 HB2 GLN 48 25.342 0.515 11.953 396 HB3 GLN 48 HB3 GLN 48 24.792 2.186 11.976 397 HG2 GLN 48 HG2 GLN 48 22.942 1.723 10.638 398 HG3 GLN 48 HG3 GLN 48 23.615 0.192 10.079 399 HE21 GLN 48 HE21 GLN 48 24.226 -1.217 12.164 400 HE22 GLN 48 HE22 GLN 48 22.891 -1.445 13.238 401 H ILE 49 H ILE 49 24.667 0.807 8.101 402 HA ILE 49 HA ILE 49 25.772 -1.857 8.114 403 HB ILE 49 HB ILE 49 24.113 -0.577 5.944 404 HG12 ILE 49 HG12 ILE 49 22.920 -0.374 8.057 405 HG13 ILE 49 HG13 ILE 49 22.165 -1.617 7.066 406 HG21 ILE 49 HG21 ILE 49 23.715 -3.394 6.419 407 HG22 ILE 49 HG22 ILE 49 24.159 -2.556 4.933 408 HG23 ILE 49 HG23 ILE 49 25.408 -3.038 6.080 409 HD11 ILE 49 HD11 ILE 49 22.201 -2.705 9.049 410 HD12 ILE 49 HD12 ILE 49 23.796 -3.173 8.459 411 HD13 ILE 49 HD13 ILE 49 23.637 -1.854 9.618 412 H LEU 50 H LEU 50 25.650 0.598 5.528 413 HA LEU 50 HA LEU 50 28.148 -0.473 4.457 414 HB2 LEU 50 HB2 LEU 50 26.554 1.716 3.187 415 HB3 LEU 50 HB3 LEU 50 27.605 0.522 2.429 416 HG LEU 50 HG LEU 50 24.880 -0.027 3.605 417 HD11 LEU 50 HD11 LEU 50 25.679 -0.107 0.711 418 HD12 LEU 50 HD12 LEU 50 25.003 1.334 1.468 419 HD13 LEU 50 HD13 LEU 50 24.059 -0.154 1.406 420 HD21 LEU 50 HD21 LEU 50 26.057 -2.022 3.835 421 HD22 LEU 50 HD22 LEU 50 26.970 -1.769 2.347 422 HD23 LEU 50 HD23 LEU 50 25.260 -2.196 2.271 423 H GLY 51 H GLY 51 26.736 2.716 5.220 424 HA2 GLY 51 HA2 GLY 51 27.929 4.319 6.552 425 HA3 GLY 51 HA3 GLY 51 29.434 3.613 5.983 426 H ILE 52 H ILE 52 26.533 5.232 4.693 427 HA ILE 52 HA ILE 52 27.767 6.116 2.315 428 HB ILE 52 HB ILE 52 25.310 5.989 2.634 429 HG12 ILE 52 HG12 ILE 52 24.896 8.393 1.661 430 HG13 ILE 52 HG13 ILE 52 26.653 8.495 1.685 431 HG21 ILE 52 HG21 ILE 52 25.072 8.617 3.869 432 HG22 ILE 52 HG22 ILE 52 24.202 7.121 4.208 433 HG23 ILE 52 HG23 ILE 52 25.781 7.407 4.938 434 HD11 ILE 52 HD11 ILE 52 25.745 6.025 0.496 435 HD12 ILE 52 HD12 ILE 52 25.082 7.439 -0.324 436 HD13 ILE 52 HD13 ILE 52 26.827 7.261 -0.145 437 H LYS 53 H LYS 53 28.945 7.878 1.834 438 HA LYS 53 HA LYS 53 30.002 9.453 3.999 439 HB2 LYS 53 HB2 LYS 53 30.531 9.262 1.056 440 HB3 LYS 53 HB3 LYS 53 31.153 10.632 1.965 441 HG2 LYS 53 HG2 LYS 53 31.700 7.753 2.652 442 HG3 LYS 53 HG3 LYS 53 32.773 8.776 1.694 443 HD2 LYS 53 HD2 LYS 53 32.543 10.386 3.763 444 HD3 LYS 53 HD3 LYS 53 32.126 8.890 4.602 445 HE2 LYS 53 HE2 LYS 53 34.286 8.011 3.361 446 HE3 LYS 53 HE3 LYS 53 34.696 9.726 3.354 447 HZ1 LYS 53 HZ1 LYS 53 35.428 9.432 5.412 448 HZ2 LYS 53 HZ2 LYS 53 34.795 7.867 5.501 449 HZ3 LYS 53 HZ3 LYS 53 33.827 9.194 5.907 Start of MODEL 14 1 H1 MET 1 H MET 1 0.137 -1.913 -2.826 2 HA MET 1 HA MET 1 1.321 0.751 -2.594 3 HB2 MET 1 HB2 MET 1 0.360 -0.914 -0.263 4 HB3 MET 1 HB3 MET 1 1.421 0.480 -0.105 5 HG2 MET 1 HG2 MET 1 -0.337 1.875 -1.150 6 HG3 MET 1 HG3 MET 1 -1.399 0.469 -1.151 7 HE1 MET 1 HE1 MET 1 0.845 2.211 2.128 8 HE2 MET 1 HE2 MET 1 0.564 2.985 0.568 9 HE3 MET 1 HE3 MET 1 -0.421 3.428 1.963 10 H ALA 2 H ALA 2 3.470 0.740 -1.675 11 HA ALA 2 HA ALA 2 4.844 -1.647 -1.026 12 HB1 ALA 2 HB1 ALA 2 6.366 -1.270 -3.212 13 HB2 ALA 2 HB2 ALA 2 5.044 -2.436 -3.130 14 HB3 ALA 2 HB3 ALA 2 4.781 -0.854 -3.864 15 H GLY 3 H GLY 3 6.575 -1.103 0.150 16 HA2 GLY 3 HA2 GLY 3 7.503 1.686 -0.009 17 HA3 GLY 3 HA3 GLY 3 7.662 0.639 1.394 18 H PHE 4 H PHE 4 8.590 -1.632 -0.227 19 HA PHE 4 HA PHE 4 11.325 -1.327 0.030 20 HB2 PHE 4 HB2 PHE 4 10.447 -3.529 -0.153 21 HB3 PHE 4 HB3 PHE 4 9.700 -3.180 -1.709 22 HD1 PHE 4 HD1 PHE 4 12.846 -3.912 0.022 23 HD2 PHE 4 HD2 PHE 4 10.974 -3.238 -3.740 24 HE1 PHE 4 HE1 PHE 4 14.843 -4.779 -1.123 25 HE2 PHE 4 HE2 PHE 4 12.967 -4.104 -4.892 26 HZ PHE 4 HZ PHE 4 14.905 -4.877 -3.583 27 H LEU 5 H LEU 5 9.266 -0.685 -2.755 28 HA LEU 5 HA LEU 5 11.480 -0.081 -4.493 29 HB2 LEU 5 HB2 LEU 5 8.500 0.124 -4.727 30 HB3 LEU 5 HB3 LEU 5 9.556 0.842 -5.942 31 HG LEU 5 HG LEU 5 10.142 -1.970 -5.357 32 HD11 LEU 5 HD11 LEU 5 8.150 -2.615 -6.872 33 HD12 LEU 5 HD12 LEU 5 7.436 -1.110 -6.296 34 HD13 LEU 5 HD13 LEU 5 7.873 -2.375 -5.147 35 HD21 LEU 5 HD21 LEU 5 10.673 -2.037 -7.582 36 HD22 LEU 5 HD22 LEU 5 10.916 -0.321 -7.255 37 HD23 LEU 5 HD23 LEU 5 9.429 -0.869 -8.030 38 H LYS 6 H LYS 6 9.452 1.650 -2.288 39 HA LYS 6 HA LYS 6 10.025 4.256 -3.364 40 HB2 LYS 6 HB2 LYS 6 8.018 3.377 -1.847 41 HB3 LYS 6 HB3 LYS 6 9.088 3.912 -0.558 42 HG2 LYS 6 HG2 LYS 6 9.214 6.129 -1.796 43 HG3 LYS 6 HG3 LYS 6 7.849 5.543 -2.749 44 HD2 LYS 6 HD2 LYS 6 6.849 5.041 -0.355 45 HD3 LYS 6 HD3 LYS 6 7.979 6.309 0.126 46 HE2 LYS 6 HE2 LYS 6 6.096 6.690 -2.177 47 HE3 LYS 6 HE3 LYS 6 5.577 6.979 -0.517 48 HZ1 LYS 6 HZ1 LYS 6 6.738 8.869 -0.404 49 HZ2 LYS 6 HZ2 LYS 6 6.758 8.808 -2.094 50 HZ3 LYS 6 HZ3 LYS 6 8.081 8.231 -1.212 51 H VAL 7 H VAL 7 11.557 2.070 -1.206 52 HA VAL 7 HA VAL 7 13.205 4.147 0.011 53 HB VAL 7 HB VAL 7 14.183 2.336 1.346 54 HG11 VAL 7 HG11 VAL 7 11.354 3.029 1.305 55 HG12 VAL 7 HG12 VAL 7 11.681 1.494 2.111 56 HG13 VAL 7 HG13 VAL 7 12.486 2.966 2.655 57 HG21 VAL 7 HG21 VAL 7 13.958 0.597 -0.443 58 HG22 VAL 7 HG22 VAL 7 13.467 0.066 1.166 59 HG23 VAL 7 HG23 VAL 7 12.245 0.487 -0.035 60 H VAL 8 H VAL 8 13.226 2.683 -2.861 61 HA VAL 8 HA VAL 8 16.129 2.240 -2.949 62 HB VAL 8 HB VAL 8 13.991 1.489 -4.948 63 HG11 VAL 8 HG11 VAL 8 15.687 1.548 -6.412 64 HG12 VAL 8 HG12 VAL 8 16.909 1.619 -5.141 65 HG13 VAL 8 HG13 VAL 8 16.220 0.067 -5.618 66 HG21 VAL 8 HG21 VAL 8 13.839 -0.495 -3.937 67 HG22 VAL 8 HG22 VAL 8 15.590 -0.644 -3.790 68 HG23 VAL 8 HG23 VAL 8 14.676 0.251 -2.576 69 H GLN 9 H GLN 9 13.556 4.235 -4.206 70 HA GLN 9 HA GLN 9 14.928 5.436 -6.344 71 HB2 GLN 9 HB2 GLN 9 13.206 7.068 -6.359 72 HB3 GLN 9 HB3 GLN 9 12.449 5.564 -5.850 73 HG2 GLN 9 HG2 GLN 9 12.572 6.303 -3.517 74 HG3 GLN 9 HG3 GLN 9 13.296 7.820 -4.047 75 HE21 GLN 9 HE21 GLN 9 11.266 8.376 -2.685 76 HE22 GLN 9 HE22 GLN 9 9.835 8.684 -3.603 77 H LEU 10 H LEU 10 15.113 5.912 -2.921 78 HA LEU 10 HA LEU 10 16.352 8.499 -3.048 79 HB2 LEU 10 HB2 LEU 10 16.362 6.537 -0.763 80 HB3 LEU 10 HB3 LEU 10 16.677 8.269 -0.679 81 HG LEU 10 HG LEU 10 14.034 6.932 -1.247 82 HD11 LEU 10 HD11 LEU 10 15.178 8.415 1.095 83 HD12 LEU 10 HD12 LEU 10 14.415 6.826 1.055 84 HD13 LEU 10 HD13 LEU 10 13.438 8.278 0.841 85 HD21 LEU 10 HD21 LEU 10 14.983 9.520 -2.011 86 HD22 LEU 10 HD22 LEU 10 13.720 9.692 -0.792 87 HD23 LEU 10 HD23 LEU 10 13.399 8.792 -2.275 88 H LEU 11 H LEU 11 17.407 5.255 -3.363 89 HA LEU 11 HA LEU 11 20.159 5.805 -2.655 90 HB2 LEU 11 HB2 LEU 11 18.663 3.410 -3.641 91 HB3 LEU 11 HB3 LEU 11 20.424 3.436 -3.687 92 HG LEU 11 HG LEU 11 19.657 2.264 -1.717 93 HD11 LEU 11 HD11 LEU 11 21.239 3.135 -0.383 94 HD12 LEU 11 HD12 LEU 11 20.541 4.754 -0.433 95 HD13 LEU 11 HD13 LEU 11 21.557 4.191 -1.760 96 HD21 LEU 11 HD21 LEU 11 17.520 3.869 -1.708 97 HD22 LEU 11 HD22 LEU 11 18.491 4.688 -0.484 98 HD23 LEU 11 HD23 LEU 11 18.064 2.989 -0.279 99 H ALA 12 H ALA 12 19.651 7.619 -4.483 100 HA ALA 12 HA ALA 12 20.847 6.570 -6.965 101 HB1 ALA 12 HB1 ALA 12 19.311 7.597 -8.208 102 HB2 ALA 12 HB2 ALA 12 18.393 7.817 -6.718 103 HB3 ALA 12 HB3 ALA 12 19.461 9.097 -7.292 104 H LYS 13 H LYS 13 20.570 9.422 -4.866 105 HA LYS 13 HA LYS 13 22.632 10.913 -6.075 106 HB2 LYS 13 HB2 LYS 13 22.580 12.290 -4.077 107 HB3 LYS 13 HB3 LYS 13 20.939 11.882 -4.559 108 HG2 LYS 13 HG2 LYS 13 22.099 10.000 -2.654 109 HG3 LYS 13 HG3 LYS 13 21.961 11.649 -2.039 110 HD2 LYS 13 HD2 LYS 13 19.627 10.509 -3.481 111 HD3 LYS 13 HD3 LYS 13 19.968 9.900 -1.859 112 HE2 LYS 13 HE2 LYS 13 18.657 11.654 -1.274 113 HE3 LYS 13 HE3 LYS 13 20.192 12.515 -1.377 114 HZ1 LYS 13 HZ1 LYS 13 19.543 13.629 -3.199 115 HZ2 LYS 13 HZ2 LYS 13 17.982 13.268 -2.658 116 HZ3 LYS 13 HZ3 LYS 13 18.703 12.317 -3.857 117 H TYR 14 H TYR 14 22.703 8.188 -4.004 118 HA TYR 14 HA TYR 14 25.336 8.670 -2.942 119 HB2 TYR 14 HB2 TYR 14 23.598 6.195 -2.934 120 HB3 TYR 14 HB3 TYR 14 25.133 6.339 -2.084 121 HD1 TYR 14 HD2 TYR 14 25.131 8.803 -0.731 122 HD2 TYR 14 HD1 TYR 14 21.809 6.256 -1.490 123 HE1 TYR 14 HE2 TYR 14 23.967 9.750 1.218 124 HE2 TYR 14 HE1 TYR 14 20.635 7.196 0.457 125 HH TYR 14 HH TYR 14 21.683 10.013 2.048 126 H GLY 15 H GLY 15 23.917 6.642 -5.476 127 HA2 GLY 15 HA2 GLY 15 25.623 6.662 -7.445 128 HA3 GLY 15 HA3 GLY 15 26.607 5.785 -6.282 129 H SER 16 H SER 16 26.694 3.756 -7.013 130 HA SER 16 HA SER 16 24.141 2.368 -7.460 131 HB2 SER 16 HB2 SER 16 25.261 1.060 -9.285 132 HB3 SER 16 HB3 SER 16 25.035 2.767 -9.665 133 HG SER 16 HG SER 16 27.103 2.470 -10.171 134 H LYS 17 H LYS 17 25.958 2.522 -5.156 135 HA LYS 17 HA LYS 17 26.782 -0.304 -5.005 136 HB2 LYS 17 HB2 LYS 17 28.586 1.469 -4.794 137 HB3 LYS 17 HB3 LYS 17 27.827 1.940 -3.279 138 HG2 LYS 17 HG2 LYS 17 29.492 0.521 -2.570 139 HG3 LYS 17 HG3 LYS 17 28.101 -0.562 -2.656 140 HD2 LYS 17 HD2 LYS 17 28.858 -1.197 -4.962 141 HD3 LYS 17 HD3 LYS 17 30.332 -0.272 -4.663 142 HE2 LYS 17 HE2 LYS 17 30.867 -2.511 -4.155 143 HE3 LYS 17 HE3 LYS 17 30.649 -1.707 -2.601 144 HZ1 LYS 17 HZ1 LYS 17 28.727 -2.832 -2.182 145 HZ2 LYS 17 HZ2 LYS 17 29.535 -4.004 -3.095 146 HZ3 LYS 17 HZ3 LYS 17 28.342 -3.046 -3.816 147 H ALA 18 H ALA 18 25.502 2.387 -3.058 148 HA ALA 18 HA ALA 18 24.716 0.781 -0.864 149 HB1 ALA 18 HB1 ALA 18 23.363 3.363 -1.543 150 HB2 ALA 18 HB2 ALA 18 23.779 2.700 0.038 151 HB3 ALA 18 HB3 ALA 18 25.044 3.343 -1.008 152 H VAL 19 H VAL 19 23.260 1.478 -3.926 153 HA VAL 19 HA VAL 19 20.582 0.783 -3.186 154 HB VAL 19 HB VAL 19 21.129 2.244 -5.129 155 HG11 VAL 19 HG11 VAL 19 23.063 0.861 -5.903 156 HG12 VAL 19 HG12 VAL 19 21.901 -0.312 -6.525 157 HG13 VAL 19 HG13 VAL 19 21.938 1.326 -7.179 158 HG21 VAL 19 HG21 VAL 19 19.031 1.727 -5.650 159 HG22 VAL 19 HG22 VAL 19 19.652 0.434 -6.675 160 HG23 VAL 19 HG23 VAL 19 19.220 0.099 -4.999 161 H GLN 20 H GLN 20 23.392 -0.954 -4.255 162 HA GLN 20 HA GLN 20 22.115 -3.289 -5.200 163 HB2 GLN 20 HB2 GLN 20 24.595 -2.499 -5.417 164 HB3 GLN 20 HB3 GLN 20 24.813 -3.352 -3.895 165 HG2 GLN 20 HG2 GLN 20 25.416 -4.807 -5.691 166 HG3 GLN 20 HG3 GLN 20 23.925 -5.397 -4.958 167 HE21 GLN 20 HE21 GLN 20 22.622 -6.189 -6.433 168 HE22 GLN 20 HE22 GLN 20 22.341 -5.537 -8.007 169 H TRP 21 H TRP 21 23.282 -2.322 -2.010 170 HA TRP 21 HA TRP 21 23.038 -4.711 -0.643 171 HB2 TRP 21 HB2 TRP 21 23.951 -2.548 0.260 172 HB3 TRP 21 HB3 TRP 21 22.290 -2.004 0.476 173 HD1 TRP 21 HD1 TRP 21 24.398 -5.079 1.594 174 HE1 TRP 21 HE1 TRP 21 23.740 -5.639 4.018 175 HE3 TRP 21 HE3 TRP 21 20.802 -1.515 2.303 176 HZ2 TRP 21 HZ2 TRP 21 21.935 -4.695 5.973 177 HZ3 TRP 21 HZ3 TRP 21 19.657 -1.411 4.479 178 HH2 TRP 21 HH2 TRP 21 20.213 -2.970 6.274 179 H ALA 22 H ALA 22 20.555 -2.147 -0.777 180 HA ALA 22 HA ALA 22 18.505 -3.505 0.471 181 HB1 ALA 22 HB1 ALA 22 18.318 -1.163 -0.025 182 HB2 ALA 22 HB2 ALA 22 18.341 -1.484 -1.759 183 HB3 ALA 22 HB3 ALA 22 16.970 -2.011 -0.783 184 H TRP 23 H TRP 23 19.377 -3.526 -2.967 185 HA TRP 23 HA TRP 23 17.234 -5.150 -3.825 186 HB2 TRP 23 HB2 TRP 23 19.846 -4.289 -4.963 187 HB3 TRP 23 HB3 TRP 23 19.060 -5.681 -5.701 188 HD1 TRP 23 HD1 TRP 23 19.162 -2.030 -5.943 189 HE1 TRP 23 HE1 TRP 23 17.172 -1.137 -7.310 190 HE3 TRP 23 HE3 TRP 23 16.265 -6.242 -6.005 191 HZ2 TRP 23 HZ2 TRP 23 14.701 -2.092 -8.284 192 HZ3 TRP 23 HZ3 TRP 23 14.102 -6.169 -7.176 193 HH2 TRP 23 HH2 TRP 23 13.338 -4.136 -8.291 194 H ALA 24 H ALA 24 20.305 -5.867 -2.358 195 HA ALA 24 HA ALA 24 20.210 -8.681 -3.014 196 HB1 ALA 24 HB1 ALA 24 22.400 -8.183 -2.825 197 HB2 ALA 24 HB2 ALA 24 22.113 -6.863 -1.690 198 HB3 ALA 24 HB3 ALA 24 22.118 -8.531 -1.119 199 H ASN 25 H ASN 25 20.499 -7.070 0.154 200 HA ASN 25 HA ASN 25 19.237 -9.289 1.472 201 HB2 ASN 25 HB2 ASN 25 20.170 -6.595 2.480 202 HB3 ASN 25 HB3 ASN 25 19.492 -7.847 3.517 203 HD21 ASN 25 HD21 ASN 25 22.169 -6.971 1.457 204 HD22 ASN 25 HD22 ASN 25 23.280 -8.141 2.076 205 H LYS 26 H LYS 26 17.270 -8.973 0.030 206 HA LYS 26 HA LYS 26 15.473 -6.864 0.939 207 HB2 LYS 26 HB2 LYS 26 13.958 -7.746 -0.832 208 HB3 LYS 26 HB3 LYS 26 15.523 -7.225 -1.440 209 HG2 LYS 26 HG2 LYS 26 16.253 -9.426 -1.774 210 HG3 LYS 26 HG3 LYS 26 14.963 -10.095 -0.771 211 HD2 LYS 26 HD2 LYS 26 14.212 -8.526 -3.188 212 HD3 LYS 26 HD3 LYS 26 14.836 -10.162 -3.409 213 HE2 LYS 26 HE2 LYS 26 13.104 -10.818 -1.611 214 HE3 LYS 26 HE3 LYS 26 12.365 -9.259 -1.971 215 HZ1 LYS 26 HZ1 LYS 26 12.200 -9.937 -4.299 216 HZ2 LYS 26 HZ2 LYS 26 11.355 -10.994 -3.285 217 HZ3 LYS 26 HZ3 LYS 26 12.857 -11.449 -3.917 218 H GLY 27 H GLY 27 15.858 -8.304 3.078 219 HA2 GLY 27 HA2 GLY 27 13.421 -9.952 3.290 220 HA3 GLY 27 HA3 GLY 27 14.940 -10.508 3.976 221 H LYS 28 H LYS 28 15.996 -8.728 5.433 222 HA LYS 28 HA LYS 28 14.234 -8.336 7.617 223 HB2 LYS 28 HB2 LYS 28 16.102 -7.298 8.727 224 HB3 LYS 28 HB3 LYS 28 16.690 -8.690 7.828 225 HG2 LYS 28 HG2 LYS 28 17.619 -7.306 6.133 226 HG3 LYS 28 HG3 LYS 28 16.826 -5.871 6.789 227 HD2 LYS 28 HD2 LYS 28 18.218 -5.874 8.711 228 HD3 LYS 28 HD3 LYS 28 18.837 -7.486 8.344 229 HE2 LYS 28 HE2 LYS 28 19.816 -6.524 6.244 230 HE3 LYS 28 HE3 LYS 28 19.358 -4.928 6.838 231 HZ1 LYS 28 HZ1 LYS 28 20.813 -6.459 8.773 232 HZ2 LYS 28 HZ2 LYS 28 21.086 -4.885 8.217 233 HZ3 LYS 28 HZ3 LYS 28 21.700 -6.205 7.355 234 H ILE 29 H ILE 29 15.155 -6.372 4.916 235 HA ILE 29 HA ILE 29 14.481 -3.840 5.976 236 HB ILE 29 HB ILE 29 14.395 -4.723 3.089 237 HG12 ILE 29 HG12 ILE 29 16.641 -3.478 4.690 238 HG13 ILE 29 HG13 ILE 29 16.586 -5.141 4.118 239 HG21 ILE 29 HG21 ILE 29 13.820 -2.644 2.563 240 HG22 ILE 29 HG22 ILE 29 13.571 -2.330 4.280 241 HG23 ILE 29 HG23 ILE 29 15.132 -1.983 3.538 242 HD11 ILE 29 HD11 ILE 29 16.917 -2.625 2.533 243 HD12 ILE 29 HD12 ILE 29 17.966 -4.042 2.602 244 HD13 ILE 29 HD13 ILE 29 16.409 -4.135 1.779 245 H LEU 30 H LEU 30 12.624 -6.261 4.183 246 HA LEU 30 HA LEU 30 10.292 -4.797 3.767 247 HB2 LEU 30 HB2 LEU 30 10.906 -7.703 4.036 248 HB3 LEU 30 HB3 LEU 30 9.223 -7.181 3.974 249 HG LEU 30 HG LEU 30 10.058 -7.914 1.787 250 HD11 LEU 30 HD11 LEU 30 8.534 -6.503 1.019 251 HD12 LEU 30 HD12 LEU 30 9.768 -5.245 0.943 252 HD13 LEU 30 HD13 LEU 30 8.786 -5.430 2.396 253 HD21 LEU 30 HD21 LEU 30 12.424 -7.099 2.272 254 HD22 LEU 30 HD22 LEU 30 11.850 -5.503 1.788 255 HD23 LEU 30 HD23 LEU 30 11.804 -6.843 0.641 256 H ASP 31 H ASP 31 11.554 -6.239 6.648 257 HA ASP 31 HA ASP 31 9.082 -6.261 8.099 258 HB2 ASP 31 HB2 ASP 31 11.969 -6.633 8.847 259 HB3 ASP 31 HB3 ASP 31 10.733 -6.475 10.092 260 H TRP 32 H TRP 32 11.842 -4.074 7.845 261 HA TRP 32 HA TRP 32 11.295 -2.317 9.901 262 HB2 TRP 32 HB2 TRP 32 12.506 -1.892 7.177 263 HB3 TRP 32 HB3 TRP 32 12.342 -0.567 8.326 264 HD1 TRP 32 HD1 TRP 32 13.065 -2.617 10.870 265 HE1 TRP 32 HE1 TRP 32 15.560 -3.123 11.253 266 HE3 TRP 32 HE3 TRP 32 14.867 -1.348 6.257 267 HZ2 TRP 32 HZ2 TRP 32 17.972 -2.999 9.792 268 HZ3 TRP 32 HZ3 TRP 32 17.281 -1.570 5.832 269 HH2 TRP 32 HH2 TRP 32 18.799 -2.378 7.564 270 H LEU 33 H LEU 33 9.932 -2.377 6.634 271 HA LEU 33 HA LEU 33 8.514 -0.010 6.642 272 HB2 LEU 33 HB2 LEU 33 8.121 -2.657 5.345 273 HB3 LEU 33 HB3 LEU 33 6.808 -1.485 5.263 274 HG LEU 33 HG LEU 33 9.608 -0.884 4.332 275 HD11 LEU 33 HD11 LEU 33 7.302 -2.137 2.887 276 HD12 LEU 33 HD12 LEU 33 8.999 -2.618 2.905 277 HD13 LEU 33 HD13 LEU 33 8.503 -1.169 2.032 278 HD21 LEU 33 HD21 LEU 33 7.805 0.909 4.927 279 HD22 LEU 33 HD22 LEU 33 7.104 0.434 3.379 280 HD23 LEU 33 HD23 LEU 33 8.752 1.061 3.447 281 H ASN 34 H ASN 34 7.392 -3.198 7.766 282 HA ASN 34 HA ASN 34 4.880 -2.259 8.687 283 HB2 ASN 34 HB2 ASN 34 6.416 -4.737 9.504 284 HB3 ASN 34 HB3 ASN 34 4.707 -4.440 9.810 285 HD21 ASN 34 HD21 ASN 34 6.850 -5.933 7.811 286 HD22 ASN 34 HD22 ASN 34 5.850 -6.131 6.416 287 H ALA 35 H ALA 35 8.021 -2.700 10.219 288 HA ALA 35 HA ALA 35 6.955 -1.798 12.786 289 HB1 ALA 35 HB1 ALA 35 9.774 -2.650 12.153 290 HB2 ALA 35 HB2 ALA 35 9.032 -2.480 13.744 291 HB3 ALA 35 HB3 ALA 35 8.498 -3.759 12.654 292 H GLY 36 H GLY 36 7.038 0.062 10.590 293 HA2 GLY 36 HA2 GLY 36 7.479 2.444 11.334 294 HA3 GLY 36 HA3 GLY 36 9.146 1.916 11.504 295 H GLN 37 H GLN 37 6.661 2.903 9.315 296 HA GLN 37 HA GLN 37 8.340 2.422 6.980 297 HB2 GLN 37 HB2 GLN 37 6.414 3.110 5.670 298 HB3 GLN 37 HB3 GLN 37 5.933 1.903 6.854 299 HG2 GLN 37 HG2 GLN 37 5.343 4.006 8.299 300 HG3 GLN 37 HG3 GLN 37 5.281 4.801 6.727 301 HE21 GLN 37 HE21 GLN 37 3.490 4.615 5.554 302 HE22 GLN 37 HE22 GLN 37 2.175 3.549 5.898 303 H ALA 38 H ALA 38 9.463 4.229 8.740 304 HA ALA 38 HA ALA 38 8.924 6.885 7.634 305 HB1 ALA 38 HB1 ALA 38 10.763 7.430 9.454 306 HB2 ALA 38 HB2 ALA 38 9.071 7.183 9.890 307 HB3 ALA 38 HB3 ALA 38 10.236 5.875 10.100 308 H ILE 39 H ILE 39 10.146 7.711 6.075 309 HA ILE 39 HA ILE 39 12.168 6.380 4.754 310 HB ILE 39 HB ILE 39 11.811 9.373 4.948 311 HG12 ILE 39 HG12 ILE 39 10.768 7.427 2.879 312 HG13 ILE 39 HG13 ILE 39 9.802 8.109 4.183 313 HG21 ILE 39 HG21 ILE 39 13.380 7.644 3.054 314 HG22 ILE 39 HG22 ILE 39 12.910 9.299 2.669 315 HG23 ILE 39 HG23 ILE 39 13.958 8.980 4.050 316 HD11 ILE 39 HD11 ILE 39 11.007 10.275 2.861 317 HD12 ILE 39 HD12 ILE 39 10.383 9.194 1.615 318 HD13 ILE 39 HD13 ILE 39 9.306 9.809 2.868 319 H ASP 40 H ASP 40 12.643 9.164 6.939 320 HA ASP 40 HA ASP 40 15.416 9.042 7.059 321 HB2 ASP 40 HB2 ASP 40 13.356 10.062 9.004 322 HB3 ASP 40 HB3 ASP 40 15.080 10.172 9.346 323 H TRP 41 H TRP 41 13.031 7.074 8.616 324 HA TRP 41 HA TRP 41 14.763 6.033 10.648 325 HB2 TRP 41 HB2 TRP 41 12.190 6.111 10.662 326 HB3 TRP 41 HB3 TRP 41 12.269 4.680 9.637 327 HD1 TRP 41 HD1 TRP 41 13.153 5.846 13.198 328 HE1 TRP 41 HE1 TRP 41 13.314 3.770 14.712 329 HE3 TRP 41 HE3 TRP 41 12.646 2.208 9.643 330 HZ2 TRP 41 HZ2 TRP 41 13.237 0.962 14.435 331 HZ3 TRP 41 HZ3 TRP 41 12.701 -0.148 10.350 332 HH2 TRP 41 HH2 TRP 41 12.991 -0.756 12.697 333 H VAL 42 H VAL 42 13.881 5.123 7.382 334 HA VAL 42 HA VAL 42 15.148 2.537 7.534 335 HB VAL 42 HB VAL 42 14.153 4.072 5.129 336 HG11 VAL 42 HG11 VAL 42 15.566 1.524 5.425 337 HG12 VAL 42 HG12 VAL 42 14.094 1.433 4.457 338 HG13 VAL 42 HG13 VAL 42 15.376 2.560 4.011 339 HG21 VAL 42 HG21 VAL 42 12.856 2.261 7.084 340 HG22 VAL 42 HG22 VAL 42 12.193 3.635 6.198 341 HG23 VAL 42 HG23 VAL 42 12.403 2.082 5.389 342 H VAL 43 H VAL 43 15.872 5.662 6.010 343 HA VAL 43 HA VAL 43 18.298 4.881 4.806 344 HB VAL 43 HB VAL 43 17.539 7.651 5.743 345 HG11 VAL 43 HG11 VAL 43 19.102 8.462 4.136 346 HG12 VAL 43 HG12 VAL 43 19.932 7.251 5.115 347 HG13 VAL 43 HG13 VAL 43 19.371 6.842 3.493 348 HG21 VAL 43 HG21 VAL 43 15.813 6.608 4.308 349 HG22 VAL 43 HG22 VAL 43 16.585 8.002 3.554 350 HG23 VAL 43 HG23 VAL 43 17.034 6.370 3.059 351 H SER 44 H SER 44 17.580 6.356 7.946 352 HA SER 44 HA SER 44 20.222 6.783 8.778 353 HB2 SER 44 HB2 SER 44 18.234 7.746 9.906 354 HB3 SER 44 HB3 SER 44 17.822 6.141 10.510 355 HG SER 44 HG SER 44 19.116 7.650 11.904 356 H LYS 45 H LYS 45 18.417 3.895 8.434 357 HA LYS 45 HA LYS 45 20.171 2.383 10.214 358 HB2 LYS 45 HB2 LYS 45 17.592 1.819 8.812 359 HB3 LYS 45 HB3 LYS 45 18.617 0.468 9.275 360 HG2 LYS 45 HG2 LYS 45 18.606 1.428 11.612 361 HG3 LYS 45 HG3 LYS 45 17.327 2.510 11.059 362 HD2 LYS 45 HD2 LYS 45 15.796 0.820 10.857 363 HD3 LYS 45 HD3 LYS 45 17.028 -0.403 10.535 364 HE2 LYS 45 HE2 LYS 45 15.932 -0.682 12.735 365 HE3 LYS 45 HE3 LYS 45 17.673 -0.431 12.855 366 HZ1 LYS 45 HZ1 LYS 45 15.905 0.904 14.311 367 HZ2 LYS 45 HZ2 LYS 45 16.023 1.958 12.993 368 HZ3 LYS 45 HZ3 LYS 45 17.408 1.545 13.873 369 H ILE 46 H ILE 46 20.948 3.622 7.557 370 HA ILE 46 HA ILE 46 21.849 1.166 6.204 371 HB ILE 46 HB ILE 46 21.606 3.956 5.072 372 HG12 ILE 46 HG12 ILE 46 19.975 1.459 4.558 373 HG13 ILE 46 HG13 ILE 46 19.430 2.880 5.443 374 HG21 ILE 46 HG21 ILE 46 22.408 1.364 3.757 375 HG22 ILE 46 HG22 ILE 46 22.126 2.889 2.919 376 HG23 ILE 46 HG23 ILE 46 23.455 2.748 4.070 377 HD11 ILE 46 HD11 ILE 46 19.920 2.554 2.516 378 HD12 ILE 46 HD12 ILE 46 18.492 3.164 3.353 379 HD13 ILE 46 HD13 ILE 46 19.950 4.151 3.263 380 H LYS 47 H LYS 47 22.849 4.232 7.570 381 HA LYS 47 HA LYS 47 25.564 4.087 6.720 382 HB2 LYS 47 HB2 LYS 47 25.923 5.846 8.472 383 HB3 LYS 47 HB3 LYS 47 24.675 6.232 7.294 384 HG2 LYS 47 HG2 LYS 47 23.423 4.896 9.449 385 HG3 LYS 47 HG3 LYS 47 24.486 6.133 10.126 386 HD2 LYS 47 HD2 LYS 47 23.418 7.648 8.286 387 HD3 LYS 47 HD3 LYS 47 22.135 6.436 8.304 388 HE2 LYS 47 HE2 LYS 47 21.517 8.174 9.819 389 HE3 LYS 47 HE3 LYS 47 21.972 6.765 10.776 390 HZ1 LYS 47 HZ1 LYS 47 24.283 8.237 10.422 391 HZ2 LYS 47 HZ2 LYS 47 23.386 8.068 11.846 392 HZ3 LYS 47 HZ3 LYS 47 23.083 9.367 10.805 393 H GLN 48 H GLN 48 23.770 2.722 9.344 394 HA GLN 48 HA GLN 48 26.069 2.140 10.974 395 HB2 GLN 48 HB2 GLN 48 24.451 0.788 12.308 396 HB3 GLN 48 HB3 GLN 48 23.967 2.465 12.090 397 HG2 GLN 48 HG2 GLN 48 22.296 1.902 10.550 398 HG3 GLN 48 HG3 GLN 48 22.954 0.285 10.301 399 HE21 GLN 48 HE21 GLN 48 21.518 2.362 12.775 400 HE22 GLN 48 HE22 GLN 48 20.697 1.095 13.614 401 H ILE 49 H ILE 49 24.347 0.602 8.399 402 HA ILE 49 HA ILE 49 25.484 -2.014 8.927 403 HB ILE 49 HB ILE 49 23.959 -1.139 6.477 404 HG12 ILE 49 HG12 ILE 49 22.631 -0.690 8.496 405 HG13 ILE 49 HG13 ILE 49 21.952 -2.026 7.573 406 HG21 ILE 49 HG21 ILE 49 23.497 -3.835 7.176 407 HG22 ILE 49 HG22 ILE 49 24.350 -3.203 5.768 408 HG23 ILE 49 HG23 ILE 49 25.238 -3.567 7.247 409 HD11 ILE 49 HD11 ILE 49 21.934 -3.182 9.459 410 HD12 ILE 49 HD12 ILE 49 23.696 -3.222 9.374 411 HD13 ILE 49 HD13 ILE 49 22.885 -1.954 10.293 412 H LEU 50 H LEU 50 25.465 -0.003 5.982 413 HA LEU 50 HA LEU 50 28.031 -1.130 5.211 414 HB2 LEU 50 HB2 LEU 50 26.450 0.932 3.704 415 HB3 LEU 50 HB3 LEU 50 27.660 -0.186 3.079 416 HG LEU 50 HG LEU 50 25.020 -1.116 4.181 417 HD11 LEU 50 HD11 LEU 50 25.544 -0.826 1.255 418 HD12 LEU 50 HD12 LEU 50 24.936 0.545 2.183 419 HD13 LEU 50 HD13 LEU 50 24.009 -0.955 2.115 420 HD21 LEU 50 HD21 LEU 50 27.304 -2.337 2.713 421 HD22 LEU 50 HD22 LEU 50 25.678 -2.956 2.421 422 HD23 LEU 50 HD23 LEU 50 26.350 -2.975 4.052 423 H GLY 51 H GLY 51 26.655 2.152 5.526 424 HA2 GLY 51 HA2 GLY 51 27.808 3.833 6.829 425 HA3 GLY 51 HA3 GLY 51 29.325 3.066 6.382 426 H ILE 52 H ILE 52 26.943 5.382 5.525 427 HA ILE 52 HA ILE 52 28.580 6.165 3.212 428 HB ILE 52 HB ILE 52 26.499 5.022 2.445 429 HG12 ILE 52 HG12 ILE 52 26.048 7.805 1.587 430 HG13 ILE 52 HG13 ILE 52 27.715 7.257 1.458 431 HG21 ILE 52 HG21 ILE 52 24.710 7.224 2.951 432 HG22 ILE 52 HG22 ILE 52 24.497 5.506 3.280 433 HG23 ILE 52 HG23 ILE 52 25.307 6.535 4.461 434 HD11 ILE 52 HD11 ILE 52 26.687 6.837 -0.622 435 HD12 ILE 52 HD12 ILE 52 26.842 5.275 0.183 436 HD13 ILE 52 HD13 ILE 52 25.281 6.095 0.141 437 H LYS 53 H LYS 53 28.694 8.378 2.792 438 HA LYS 53 HA LYS 53 28.496 10.069 5.057 439 HB2 LYS 53 HB2 LYS 53 30.195 10.438 3.357 440 HB3 LYS 53 HB3 LYS 53 28.956 10.726 2.142 441 HG2 LYS 53 HG2 LYS 53 28.224 12.714 3.406 442 HG3 LYS 53 HG3 LYS 53 29.546 12.442 4.545 443 HD2 LYS 53 HD2 LYS 53 31.015 12.459 2.377 444 HD3 LYS 53 HD3 LYS 53 29.642 13.334 1.695 445 HE2 LYS 53 HE2 LYS 53 29.810 15.002 3.459 446 HE3 LYS 53 HE3 LYS 53 31.140 14.111 4.197 447 HZ1 LYS 53 HZ1 LYS 53 32.496 15.298 2.931 448 HZ2 LYS 53 HZ2 LYS 53 31.211 15.990 2.076 449 HZ3 LYS 53 HZ3 LYS 53 31.868 14.516 1.568 Start of MODEL 15 1 H1 MET 1 H MET 1 0.644 -1.133 1.394 2 HA MET 1 HA MET 1 1.085 0.189 -1.193 3 HB2 MET 1 HB2 MET 1 2.214 1.951 0.096 4 HB3 MET 1 HB3 MET 1 0.562 1.702 0.645 5 HG2 MET 1 HG2 MET 1 1.478 0.279 2.483 6 HG3 MET 1 HG3 MET 1 3.091 0.779 1.981 7 HE1 MET 1 HE1 MET 1 4.205 2.048 3.321 8 HE2 MET 1 HE2 MET 1 3.745 3.521 4.174 9 HE3 MET 1 HE3 MET 1 3.311 1.946 4.838 10 H ALA 2 H ALA 2 3.215 0.491 -1.978 11 HA ALA 2 HA ALA 2 5.064 -1.610 -1.099 12 HB1 ALA 2 HB1 ALA 2 6.190 -0.884 -3.357 13 HB2 ALA 2 HB2 ALA 2 4.778 -1.941 -3.348 14 HB3 ALA 2 HB3 ALA 2 4.590 -0.221 -3.690 15 H GLY 3 H GLY 3 6.163 -0.685 0.595 16 HA2 GLY 3 HA2 GLY 3 7.375 1.950 0.217 17 HA3 GLY 3 HA3 GLY 3 7.318 1.039 1.719 18 H PHE 4 H PHE 4 8.360 -0.303 -1.350 19 HA PHE 4 HA PHE 4 11.075 -0.544 -0.232 20 HB2 PHE 4 HB2 PHE 4 10.062 -2.719 -0.468 21 HB3 PHE 4 HB3 PHE 4 9.578 -2.365 -2.123 22 HD1 PHE 4 HD1 PHE 4 12.485 -2.974 0.070 23 HD2 PHE 4 HD2 PHE 4 11.045 -2.726 -3.927 24 HE1 PHE 4 HE1 PHE 4 14.596 -3.938 -0.746 25 HE2 PHE 4 HE2 PHE 4 13.153 -3.691 -4.750 26 HZ PHE 4 HZ PHE 4 14.932 -4.299 -3.159 27 H LEU 5 H LEU 5 9.574 -0.722 -3.464 28 HA LEU 5 HA LEU 5 11.812 0.153 -4.878 29 HB2 LEU 5 HB2 LEU 5 8.885 0.071 -5.453 30 HB3 LEU 5 HB3 LEU 5 9.962 0.901 -6.574 31 HG LEU 5 HG LEU 5 10.680 -1.874 -5.809 32 HD11 LEU 5 HD11 LEU 5 9.153 -2.613 -7.745 33 HD12 LEU 5 HD12 LEU 5 8.259 -1.131 -7.407 34 HD13 LEU 5 HD13 LEU 5 8.435 -2.359 -6.154 35 HD21 LEU 5 HD21 LEU 5 11.918 -1.767 -7.669 36 HD22 LEU 5 HD22 LEU 5 11.623 -0.029 -7.597 37 HD23 LEU 5 HD23 LEU 5 10.609 -1.056 -8.613 38 H LYS 6 H LYS 6 9.522 1.916 -3.009 39 HA LYS 6 HA LYS 6 10.055 4.468 -4.243 40 HB2 LYS 6 HB2 LYS 6 7.946 3.583 -2.867 41 HB3 LYS 6 HB3 LYS 6 8.844 4.288 -1.530 42 HG2 LYS 6 HG2 LYS 6 9.000 6.347 -3.165 43 HG3 LYS 6 HG3 LYS 6 7.557 5.606 -3.860 44 HD2 LYS 6 HD2 LYS 6 6.355 5.808 -1.850 45 HD3 LYS 6 HD3 LYS 6 7.818 6.108 -0.908 46 HE2 LYS 6 HE2 LYS 6 6.465 8.144 -1.268 47 HE3 LYS 6 HE3 LYS 6 8.090 8.271 -1.939 48 HZ1 LYS 6 HZ1 LYS 6 6.023 9.002 -3.322 49 HZ2 LYS 6 HZ2 LYS 6 5.910 7.352 -3.676 50 HZ3 LYS 6 HZ3 LYS 6 7.314 8.208 -4.074 51 H VAL 7 H VAL 7 11.124 2.692 -1.403 52 HA VAL 7 HA VAL 7 12.706 4.920 -0.432 53 HB VAL 7 HB VAL 7 13.434 3.362 1.339 54 HG11 VAL 7 HG11 VAL 7 10.552 3.854 0.769 55 HG12 VAL 7 HG12 VAL 7 10.989 2.858 2.158 56 HG13 VAL 7 HG13 VAL 7 11.579 4.515 2.040 57 HG21 VAL 7 HG21 VAL 7 13.365 1.310 -0.042 58 HG22 VAL 7 HG22 VAL 7 12.520 1.132 1.495 59 HG23 VAL 7 HG23 VAL 7 11.603 1.368 0.007 60 H VAL 8 H VAL 8 13.081 2.495 -2.717 61 HA VAL 8 HA VAL 8 15.981 2.307 -2.371 62 HB VAL 8 HB VAL 8 14.140 0.849 -4.272 63 HG11 VAL 8 HG11 VAL 8 16.070 0.709 -5.456 64 HG12 VAL 8 HG12 VAL 8 17.089 0.983 -4.042 65 HG13 VAL 8 HG13 VAL 8 16.375 -0.606 -4.321 66 HG21 VAL 8 HG21 VAL 8 13.809 -0.620 -2.640 67 HG22 VAL 8 HG22 VAL 8 15.548 -0.829 -2.433 68 HG23 VAL 8 HG23 VAL 8 14.700 0.433 -1.540 69 H GLN 9 H GLN 9 13.575 3.811 -4.346 70 HA GLN 9 HA GLN 9 15.216 4.352 -6.606 71 HB2 GLN 9 HB2 GLN 9 13.454 5.949 -7.237 72 HB3 GLN 9 HB3 GLN 9 12.788 4.387 -6.780 73 HG2 GLN 9 HG2 GLN 9 11.795 5.198 -4.902 74 HG3 GLN 9 HG3 GLN 9 12.997 6.467 -4.679 75 HE21 GLN 9 HE21 GLN 9 12.987 8.060 -6.634 76 HE22 GLN 9 HE22 GLN 9 11.425 8.658 -7.065 77 H LEU 10 H LEU 10 14.857 5.801 -3.497 78 HA LEU 10 HA LEU 10 15.918 8.367 -4.213 79 HB2 LEU 10 HB2 LEU 10 15.716 7.085 -1.493 80 HB3 LEU 10 HB3 LEU 10 15.979 8.795 -1.830 81 HG LEU 10 HG LEU 10 13.466 7.203 -2.323 82 HD11 LEU 10 HD11 LEU 10 14.253 9.358 -0.389 83 HD12 LEU 10 HD12 LEU 10 13.557 7.773 -0.056 84 HD13 LEU 10 HD13 LEU 10 12.566 9.034 -0.791 85 HD21 LEU 10 HD21 LEU 10 12.491 9.261 -3.166 86 HD22 LEU 10 HD22 LEU 10 13.872 8.787 -4.156 87 HD23 LEU 10 HD23 LEU 10 14.035 10.092 -2.980 88 H LEU 11 H LEU 11 17.227 5.299 -3.285 89 HA LEU 11 HA LEU 11 19.725 6.085 -2.296 90 HB2 LEU 11 HB2 LEU 11 18.641 3.624 -3.571 91 HB3 LEU 11 HB3 LEU 11 20.387 3.773 -3.387 92 HG LEU 11 HG LEU 11 19.365 2.484 -1.568 93 HD11 LEU 11 HD11 LEU 11 20.124 4.819 -0.025 94 HD12 LEU 11 HD12 LEU 11 21.228 4.513 -1.364 95 HD13 LEU 11 HD13 LEU 11 20.918 3.251 -0.172 96 HD21 LEU 11 HD21 LEU 11 17.220 3.945 -1.697 97 HD22 LEU 11 HD22 LEU 11 18.073 4.981 -0.551 98 HD23 LEU 11 HD23 LEU 11 17.741 3.297 -0.141 99 H ALA 12 H ALA 12 18.444 6.164 -5.479 100 HA ALA 12 HA ALA 12 20.658 5.887 -7.101 101 HB1 ALA 12 HB1 ALA 12 19.204 6.462 -8.676 102 HB2 ALA 12 HB2 ALA 12 18.032 6.804 -7.403 103 HB3 ALA 12 HB3 ALA 12 19.064 8.093 -8.021 104 H LYS 13 H LYS 13 19.643 8.690 -5.212 105 HA LYS 13 HA LYS 13 21.512 10.527 -6.241 106 HB2 LYS 13 HB2 LYS 13 20.941 11.925 -4.410 107 HB3 LYS 13 HB3 LYS 13 19.476 11.047 -4.830 108 HG2 LYS 13 HG2 LYS 13 19.386 10.758 -2.596 109 HG3 LYS 13 HG3 LYS 13 20.436 9.389 -2.971 110 HD2 LYS 13 HD2 LYS 13 21.667 10.361 -1.312 111 HD3 LYS 13 HD3 LYS 13 22.318 11.236 -2.700 112 HE2 LYS 13 HE2 LYS 13 21.845 12.848 -1.020 113 HE3 LYS 13 HE3 LYS 13 20.601 13.013 -2.258 114 HZ1 LYS 13 HZ1 LYS 13 20.354 12.219 0.504 115 HZ2 LYS 13 HZ2 LYS 13 19.491 11.239 -0.570 116 HZ3 LYS 13 HZ3 LYS 13 19.206 12.906 -0.532 117 H TYR 14 H TYR 14 21.738 8.065 -3.767 118 HA TYR 14 HA TYR 14 24.239 8.977 -2.708 119 HB2 TYR 14 HB2 TYR 14 22.513 6.567 -2.338 120 HB3 TYR 14 HB3 TYR 14 24.193 6.485 -1.819 121 HD1 TYR 14 HD2 TYR 14 25.013 8.310 -0.204 122 HD2 TYR 14 HD1 TYR 14 20.898 7.534 -0.957 123 HE1 TYR 14 HE2 TYR 14 24.421 9.437 1.901 124 HE2 TYR 14 HE1 TYR 14 20.295 8.660 1.145 125 HH TYR 14 HH TYR 14 22.774 9.849 3.369 126 H GLY 15 H GLY 15 23.231 6.806 -5.250 127 HA2 GLY 15 HA2 GLY 15 25.120 6.734 -6.991 128 HA3 GLY 15 HA3 GLY 15 26.031 5.998 -5.681 129 H SER 16 H SER 16 26.304 4.181 -7.123 130 HA SER 16 HA SER 16 23.892 2.505 -7.352 131 HB2 SER 16 HB2 SER 16 25.262 1.267 -9.108 132 HB3 SER 16 HB3 SER 16 24.753 2.900 -9.535 133 HG SER 16 HG SER 16 27.064 2.232 -9.877 134 H LYS 17 H LYS 17 25.698 2.821 -5.017 135 HA LYS 17 HA LYS 17 26.699 0.057 -4.826 136 HB2 LYS 17 HB2 LYS 17 27.665 2.639 -3.668 137 HB3 LYS 17 HB3 LYS 17 27.960 1.148 -2.783 138 HG2 LYS 17 HG2 LYS 17 29.874 1.283 -4.012 139 HG3 LYS 17 HG3 LYS 17 28.871 0.325 -5.104 140 HD2 LYS 17 HD2 LYS 17 28.448 2.158 -6.502 141 HD3 LYS 17 HD3 LYS 17 28.966 3.322 -5.281 142 HE2 LYS 17 HE2 LYS 17 30.743 3.277 -6.785 143 HE3 LYS 17 HE3 LYS 17 31.270 2.202 -5.491 144 HZ1 LYS 17 HZ1 LYS 17 31.605 0.698 -7.070 145 HZ2 LYS 17 HZ2 LYS 17 30.812 1.622 -8.244 146 HZ3 LYS 17 HZ3 LYS 17 29.926 0.583 -7.245 147 H ALA 18 H ALA 18 25.214 2.652 -2.891 148 HA ALA 18 HA ALA 18 24.447 0.920 -0.764 149 HB1 ALA 18 HB1 ALA 18 23.524 3.695 -1.497 150 HB2 ALA 18 HB2 ALA 18 23.078 2.852 -0.012 151 HB3 ALA 18 HB3 ALA 18 24.766 3.258 -0.322 152 H VAL 19 H VAL 19 23.039 1.780 -3.804 153 HA VAL 19 HA VAL 19 20.348 1.054 -3.145 154 HB VAL 19 HB VAL 19 20.899 2.610 -4.996 155 HG11 VAL 19 HG11 VAL 19 21.750 1.782 -7.095 156 HG12 VAL 19 HG12 VAL 19 22.890 1.384 -5.809 157 HG13 VAL 19 HG13 VAL 19 21.822 0.140 -6.458 158 HG21 VAL 19 HG21 VAL 19 18.840 2.079 -5.638 159 HG22 VAL 19 HG22 VAL 19 19.521 0.827 -6.677 160 HG23 VAL 19 HG23 VAL 19 19.032 0.435 -5.028 161 H GLN 20 H GLN 20 23.154 -0.609 -4.408 162 HA GLN 20 HA GLN 20 21.848 -2.906 -5.396 163 HB2 GLN 20 HB2 GLN 20 24.314 -2.080 -5.680 164 HB3 GLN 20 HB3 GLN 20 24.603 -3.026 -4.226 165 HG2 GLN 20 HG2 GLN 20 23.861 -5.030 -5.310 166 HG3 GLN 20 HG3 GLN 20 23.363 -4.122 -6.737 167 HE21 GLN 20 HE21 GLN 20 26.245 -4.570 -4.713 168 HE22 GLN 20 HE22 GLN 20 27.361 -4.669 -6.027 169 H TRP 21 H TRP 21 22.788 -1.914 -2.199 170 HA TRP 21 HA TRP 21 22.770 -4.417 -0.920 171 HB2 TRP 21 HB2 TRP 21 23.639 -2.268 0.050 172 HB3 TRP 21 HB3 TRP 21 21.968 -1.770 0.302 173 HD1 TRP 21 HD1 TRP 21 24.165 -4.825 1.297 174 HE1 TRP 21 HE1 TRP 21 23.547 -5.482 3.708 175 HE3 TRP 21 HE3 TRP 21 20.483 -1.384 2.157 176 HZ2 TRP 21 HZ2 TRP 21 21.737 -4.651 5.709 177 HZ3 TRP 21 HZ3 TRP 21 19.357 -1.383 4.345 178 HH2 TRP 21 HH2 TRP 21 19.972 -2.984 6.082 179 H ALA 22 H ALA 22 20.207 -1.932 -0.988 180 HA ALA 22 HA ALA 22 18.214 -3.365 0.275 181 HB1 ALA 22 HB1 ALA 22 17.829 -1.079 -0.127 182 HB2 ALA 22 HB2 ALA 22 18.070 -1.260 -1.865 183 HB3 ALA 22 HB3 ALA 22 16.630 -1.933 -1.100 184 H TRP 23 H TRP 23 18.974 -3.275 -3.196 185 HA TRP 23 HA TRP 23 16.902 -5.016 -3.998 186 HB2 TRP 23 HB2 TRP 23 19.446 -4.048 -5.243 187 HB3 TRP 23 HB3 TRP 23 18.571 -5.375 -6.001 188 HD1 TRP 23 HD1 TRP 23 18.526 -1.636 -5.601 189 HE1 TRP 23 HE1 TRP 23 16.554 -0.651 -6.929 190 HE3 TRP 23 HE3 TRP 23 16.060 -5.970 -6.727 191 HZ2 TRP 23 HZ2 TRP 23 14.256 -1.587 -8.275 192 HZ3 TRP 23 HZ3 TRP 23 13.982 -5.838 -8.038 193 HH2 TRP 23 HH2 TRP 23 13.100 -3.691 -8.794 194 H ALA 24 H ALA 24 20.255 -5.573 -3.042 195 HA ALA 24 HA ALA 24 20.391 -8.301 -3.711 196 HB1 ALA 24 HB1 ALA 24 22.471 -7.454 -3.304 197 HB2 ALA 24 HB2 ALA 24 21.932 -6.487 -1.931 198 HB3 ALA 24 HB3 ALA 24 22.157 -8.226 -1.749 199 H ASN 25 H ASN 25 19.989 -6.860 -0.466 200 HA ASN 25 HA ASN 25 19.421 -9.178 0.919 201 HB2 ASN 25 HB2 ASN 25 18.793 -6.298 1.327 202 HB3 ASN 25 HB3 ASN 25 17.916 -7.462 2.316 203 HD21 ASN 25 HD21 ASN 25 20.985 -6.033 1.611 204 HD22 ASN 25 HD22 ASN 25 21.833 -6.679 2.971 205 H LYS 26 H LYS 26 17.628 -10.393 1.324 206 HA LYS 26 HA LYS 26 15.478 -10.211 -0.585 207 HB2 LYS 26 HB2 LYS 26 16.202 -12.412 -0.110 208 HB3 LYS 26 HB3 LYS 26 16.152 -12.140 1.626 209 HG2 LYS 26 HG2 LYS 26 14.319 -13.559 0.919 210 HG3 LYS 26 HG3 LYS 26 13.714 -12.022 1.542 211 HD2 LYS 26 HD2 LYS 26 13.277 -11.212 -0.653 212 HD3 LYS 26 HD3 LYS 26 14.147 -12.560 -1.391 213 HE2 LYS 26 HE2 LYS 26 11.629 -12.826 0.249 214 HE3 LYS 26 HE3 LYS 26 11.678 -12.784 -1.513 215 HZ1 LYS 26 HZ1 LYS 26 12.732 -14.866 0.301 216 HZ2 LYS 26 HZ2 LYS 26 13.260 -14.743 -1.301 217 HZ3 LYS 26 HZ3 LYS 26 11.628 -15.035 -0.969 218 H GLY 27 H GLY 27 15.419 -10.560 2.969 219 HA2 GLY 27 HA2 GLY 27 13.196 -8.618 3.012 220 HA3 GLY 27 HA3 GLY 27 13.097 -10.130 3.903 221 H LYS 28 H LYS 28 15.786 -7.838 3.532 222 HA LYS 28 HA LYS 28 16.108 -7.824 6.431 223 HB2 LYS 28 HB2 LYS 28 18.093 -8.214 5.050 224 HB3 LYS 28 HB3 LYS 28 17.848 -6.671 4.242 225 HG2 LYS 28 HG2 LYS 28 19.531 -6.268 5.807 226 HG3 LYS 28 HG3 LYS 28 18.069 -5.612 6.547 227 HD2 LYS 28 HD2 LYS 28 17.847 -7.520 7.968 228 HD3 LYS 28 HD3 LYS 28 19.128 -8.378 7.109 229 HE2 LYS 28 HE2 LYS 28 20.797 -6.961 7.973 230 HE3 LYS 28 HE3 LYS 28 19.618 -5.764 8.507 231 HZ1 LYS 28 HZ1 LYS 28 20.150 -6.825 10.456 232 HZ2 LYS 28 HZ2 LYS 28 20.325 -8.343 9.731 233 HZ3 LYS 28 HZ3 LYS 28 18.781 -7.700 9.984 234 H ILE 29 H ILE 29 15.125 -5.747 3.819 235 HA ILE 29 HA ILE 29 14.972 -3.453 5.647 236 HB ILE 29 HB ILE 29 14.676 -3.518 2.641 237 HG12 ILE 29 HG12 ILE 29 16.956 -2.549 4.380 238 HG13 ILE 29 HG13 ILE 29 16.969 -4.000 3.384 239 HG21 ILE 29 HG21 ILE 29 13.817 -1.480 2.795 240 HG22 ILE 29 HG22 ILE 29 13.890 -1.574 4.554 241 HG23 ILE 29 HG23 ILE 29 15.260 -0.932 3.648 242 HD11 ILE 29 HD11 ILE 29 16.984 -1.135 2.517 243 HD12 ILE 29 HD12 ILE 29 18.142 -2.413 2.148 244 HD13 ILE 29 HD13 ILE 29 16.537 -2.439 1.417 245 H LEU 30 H LEU 30 13.045 -5.530 3.570 246 HA LEU 30 HA LEU 30 10.637 -4.185 3.529 247 HB2 LEU 30 HB2 LEU 30 11.440 -7.035 3.414 248 HB3 LEU 30 HB3 LEU 30 9.737 -6.691 3.711 249 HG LEU 30 HG LEU 30 10.155 -7.101 1.349 250 HD11 LEU 30 HD11 LEU 30 8.479 -5.694 1.009 251 HD12 LEU 30 HD12 LEU 30 9.632 -4.365 0.889 252 HD13 LEU 30 HD13 LEU 30 8.923 -4.779 2.450 253 HD21 LEU 30 HD21 LEU 30 12.505 -6.347 1.321 254 HD22 LEU 30 HD22 LEU 30 11.949 -4.678 1.451 255 HD23 LEU 30 HD23 LEU 30 11.545 -5.634 0.025 256 H ASP 31 H ASP 31 12.136 -5.934 6.145 257 HA ASP 31 HA ASP 31 9.851 -6.203 7.794 258 HB2 ASP 31 HB2 ASP 31 12.800 -6.390 8.191 259 HB3 ASP 31 HB3 ASP 31 11.785 -6.214 9.620 260 H TRP 32 H TRP 32 12.342 -3.710 7.517 261 HA TRP 32 HA TRP 32 11.632 -2.150 9.715 262 HB2 TRP 32 HB2 TRP 32 12.870 -1.429 7.060 263 HB3 TRP 32 HB3 TRP 32 12.627 -0.242 8.339 264 HD1 TRP 32 HD1 TRP 32 13.444 -2.461 10.685 265 HE1 TRP 32 HE1 TRP 32 15.957 -2.892 11.036 266 HE3 TRP 32 HE3 TRP 32 15.199 -0.734 6.204 267 HZ2 TRP 32 HZ2 TRP 32 18.365 -2.544 9.604 268 HZ3 TRP 32 HZ3 TRP 32 17.620 -0.818 5.774 269 HH2 TRP 32 HH2 TRP 32 19.169 -1.704 7.440 270 H LEU 33 H LEU 33 10.310 -2.240 6.451 271 HA LEU 33 HA LEU 33 8.768 0.047 6.439 272 HB2 LEU 33 HB2 LEU 33 7.846 -2.596 5.337 273 HB3 LEU 33 HB3 LEU 33 7.423 -0.982 4.768 274 HG LEU 33 HG LEU 33 10.101 -2.347 4.502 275 HD11 LEU 33 HD11 LEU 33 8.020 -2.898 3.004 276 HD12 LEU 33 HD12 LEU 33 9.617 -2.683 2.288 277 HD13 LEU 33 HD13 LEU 33 8.441 -1.370 2.230 278 HD21 LEU 33 HD21 LEU 33 9.254 0.390 3.558 279 HD22 LEU 33 HD22 LEU 33 10.817 -0.380 3.284 280 HD23 LEU 33 HD23 LEU 33 10.329 0.069 4.919 281 H ASN 34 H ASN 34 8.240 -2.954 8.134 282 HA ASN 34 HA ASN 34 5.542 -2.185 8.915 283 HB2 ASN 34 HB2 ASN 34 7.177 -4.632 9.625 284 HB3 ASN 34 HB3 ASN 34 5.487 -4.377 10.050 285 HD21 ASN 34 HD21 ASN 34 7.319 -6.073 8.078 286 HD22 ASN 34 HD22 ASN 34 6.308 -6.176 6.681 287 H ALA 35 H ALA 35 8.776 -2.224 10.173 288 HA ALA 35 HA ALA 35 7.768 -1.356 12.802 289 HB1 ALA 35 HB1 ALA 35 10.441 -2.570 12.111 290 HB2 ALA 35 HB2 ALA 35 9.927 -2.055 13.718 291 HB3 ALA 35 HB3 ALA 35 9.101 -3.390 12.914 292 H GLY 36 H GLY 36 7.730 0.549 10.861 293 HA2 GLY 36 HA2 GLY 36 9.408 2.560 11.966 294 HA3 GLY 36 HA3 GLY 36 10.016 2.047 10.399 295 H GLN 37 H GLN 37 7.973 1.772 8.794 296 HA GLN 37 HA GLN 37 6.561 2.938 7.443 297 HB2 GLN 37 HB2 GLN 37 5.556 3.671 10.181 298 HB3 GLN 37 HB3 GLN 37 4.787 4.298 8.729 299 HG2 GLN 37 HG2 GLN 37 4.032 2.215 8.069 300 HG3 GLN 37 HG3 GLN 37 5.219 1.361 9.053 301 HE21 GLN 37 HE21 GLN 37 2.118 2.848 8.960 302 HE22 GLN 37 HE22 GLN 37 1.614 2.401 10.550 303 H ALA 38 H ALA 38 9.053 4.113 7.734 304 HA ALA 38 HA ALA 38 8.444 6.822 6.992 305 HB1 ALA 38 HB1 ALA 38 10.184 7.697 8.700 306 HB2 ALA 38 HB2 ALA 38 8.529 7.398 9.233 307 HB3 ALA 38 HB3 ALA 38 9.796 6.226 9.593 308 H ILE 39 H ILE 39 9.745 7.330 5.361 309 HA ILE 39 HA ILE 39 11.793 5.658 4.442 310 HB ILE 39 HB ILE 39 11.363 8.578 3.800 311 HG12 ILE 39 HG12 ILE 39 10.407 6.124 2.313 312 HG13 ILE 39 HG13 ILE 39 9.398 7.083 3.391 313 HG21 ILE 39 HG21 ILE 39 13.010 6.434 2.489 314 HG22 ILE 39 HG22 ILE 39 12.503 7.893 1.640 315 HG23 ILE 39 HG23 ILE 39 13.530 8.017 3.067 316 HD11 ILE 39 HD11 ILE 39 10.671 8.761 1.436 317 HD12 ILE 39 HD12 ILE 39 9.782 7.449 0.662 318 HD13 ILE 39 HD13 ILE 39 8.956 8.533 1.782 319 H ASP 40 H ASP 40 12.099 8.921 5.858 320 HA ASP 40 HA ASP 40 14.874 8.967 6.035 321 HB2 ASP 40 HB2 ASP 40 13.666 11.001 6.355 322 HB3 ASP 40 HB3 ASP 40 12.760 10.327 7.707 323 H TRP 41 H TRP 41 12.534 7.340 8.001 324 HA TRP 41 HA TRP 41 14.278 6.914 10.243 325 HB2 TRP 41 HB2 TRP 41 11.758 6.947 10.362 326 HB3 TRP 41 HB3 TRP 41 11.765 5.384 9.549 327 HD1 TRP 41 HD1 TRP 41 12.408 7.006 12.922 328 HE1 TRP 41 HE1 TRP 41 12.728 5.165 14.692 329 HE3 TRP 41 HE3 TRP 41 12.631 2.940 9.831 330 HZ2 TRP 41 HZ2 TRP 41 13.034 2.360 14.767 331 HZ3 TRP 41 HZ3 TRP 41 12.939 0.713 10.832 332 HH2 TRP 41 HH2 TRP 41 13.137 0.431 13.249 333 H VAL 42 H VAL 42 13.661 5.338 7.228 334 HA VAL 42 HA VAL 42 14.940 2.859 8.060 335 HB VAL 42 HB VAL 42 13.874 3.688 5.357 336 HG11 VAL 42 HG11 VAL 42 15.390 1.350 6.279 337 HG12 VAL 42 HG12 VAL 42 13.939 0.973 5.349 338 HG13 VAL 42 HG13 VAL 42 15.189 2.006 4.655 339 HG21 VAL 42 HG21 VAL 42 12.532 1.535 6.800 340 HG22 VAL 42 HG22 VAL 42 12.441 3.094 7.619 341 HG23 VAL 42 HG23 VAL 42 11.855 2.932 5.963 342 H VAL 43 H VAL 43 15.612 5.703 6.113 343 HA VAL 43 HA VAL 43 17.919 4.823 4.800 344 HB VAL 43 HB VAL 43 17.429 7.640 5.766 345 HG11 VAL 43 HG11 VAL 43 19.103 8.292 4.421 346 HG12 VAL 43 HG12 VAL 43 19.619 6.608 4.519 347 HG13 VAL 43 HG13 VAL 43 18.655 7.157 3.148 348 HG21 VAL 43 HG21 VAL 43 15.911 6.037 3.918 349 HG22 VAL 43 HG22 VAL 43 15.600 7.673 4.499 350 HG23 VAL 43 HG23 VAL 43 16.636 7.418 3.095 351 H SER 44 H SER 44 17.512 6.358 7.967 352 HA SER 44 HA SER 44 20.220 6.675 8.598 353 HB2 SER 44 HB2 SER 44 18.504 7.767 9.916 354 HB3 SER 44 HB3 SER 44 17.843 6.209 10.414 355 HG SER 44 HG SER 44 19.694 7.602 11.631 356 H LYS 45 H LYS 45 18.272 3.858 8.432 357 HA LYS 45 HA LYS 45 20.129 2.284 10.049 358 HB2 LYS 45 HB2 LYS 45 17.542 1.505 8.689 359 HB3 LYS 45 HB3 LYS 45 18.509 0.444 9.706 360 HG2 LYS 45 HG2 LYS 45 17.523 3.049 10.782 361 HG3 LYS 45 HG3 LYS 45 16.444 1.654 10.699 362 HD2 LYS 45 HD2 LYS 45 18.239 0.361 11.930 363 HD3 LYS 45 HD3 LYS 45 19.035 1.911 12.212 364 HE2 LYS 45 HE2 LYS 45 17.406 2.639 13.651 365 HE3 LYS 45 HE3 LYS 45 16.152 1.652 12.903 366 HZ1 LYS 45 HZ1 LYS 45 16.635 -0.102 14.201 367 HZ2 LYS 45 HZ2 LYS 45 17.286 1.068 15.234 368 HZ3 LYS 45 HZ3 LYS 45 18.301 0.194 14.201 369 H ILE 46 H ILE 46 20.726 3.466 7.340 370 HA ILE 46 HA ILE 46 21.386 0.959 5.939 371 HB ILE 46 HB ILE 46 21.078 3.726 4.766 372 HG12 ILE 46 HG12 ILE 46 19.351 1.256 4.497 373 HG13 ILE 46 HG13 ILE 46 18.934 2.709 5.398 374 HG21 ILE 46 HG21 ILE 46 22.501 1.460 3.826 375 HG22 ILE 46 HG22 ILE 46 21.079 1.674 2.806 376 HG23 ILE 46 HG23 ILE 46 22.224 2.999 3.012 377 HD11 ILE 46 HD11 ILE 46 17.779 2.955 3.413 378 HD12 ILE 46 HD12 ILE 46 19.234 3.918 3.146 379 HD13 ILE 46 HD13 ILE 46 19.102 2.305 2.445 380 H LYS 47 H LYS 47 22.586 4.092 7.000 381 HA LYS 47 HA LYS 47 25.209 3.760 5.923 382 HB2 LYS 47 HB2 LYS 47 25.773 5.684 7.430 383 HB3 LYS 47 HB3 LYS 47 24.436 5.988 6.328 384 HG2 LYS 47 HG2 LYS 47 23.324 4.949 8.701 385 HG3 LYS 47 HG3 LYS 47 24.502 6.177 9.170 386 HD2 LYS 47 HD2 LYS 47 23.321 7.515 7.205 387 HD3 LYS 47 HD3 LYS 47 21.979 6.447 7.623 388 HE2 LYS 47 HE2 LYS 47 21.745 7.344 9.728 389 HE3 LYS 47 HE3 LYS 47 23.425 7.874 9.805 390 HZ1 LYS 47 HZ1 LYS 47 22.292 9.276 7.721 391 HZ2 LYS 47 HZ2 LYS 47 22.701 9.879 9.248 392 HZ3 LYS 47 HZ3 LYS 47 21.133 9.314 8.954 393 H GLN 48 H GLN 48 23.616 2.764 8.829 394 HA GLN 48 HA GLN 48 26.008 2.297 10.342 395 HB2 GLN 48 HB2 GLN 48 24.485 1.099 11.902 396 HB3 GLN 48 HB3 GLN 48 23.959 2.736 11.532 397 HG2 GLN 48 HG2 GLN 48 22.192 2.003 10.211 398 HG3 GLN 48 HG3 GLN 48 22.885 0.395 10.011 399 HE21 GLN 48 HE21 GLN 48 22.316 2.369 12.895 400 HE22 GLN 48 HE22 GLN 48 21.315 1.214 13.701 401 H ILE 49 H ILE 49 24.144 0.531 8.027 402 HA ILE 49 HA ILE 49 25.247 -2.043 8.739 403 HB ILE 49 HB ILE 49 23.745 -1.325 6.224 404 HG12 ILE 49 HG12 ILE 49 22.438 -0.691 8.212 405 HG13 ILE 49 HG13 ILE 49 21.717 -2.065 7.380 406 HG21 ILE 49 HG21 ILE 49 23.229 -3.950 7.146 407 HG22 ILE 49 HG22 ILE 49 24.062 -3.449 5.675 408 HG23 ILE 49 HG23 ILE 49 24.976 -3.711 7.161 409 HD11 ILE 49 HD11 ILE 49 21.680 -3.117 9.322 410 HD12 ILE 49 HD12 ILE 49 23.442 -3.167 9.274 411 HD13 ILE 49 HD13 ILE 49 22.620 -1.838 10.091 412 H LEU 50 H LEU 50 25.286 -0.282 5.638 413 HA LEU 50 HA LEU 50 27.642 -1.633 4.762 414 HB2 LEU 50 HB2 LEU 50 26.427 0.871 3.613 415 HB3 LEU 50 HB3 LEU 50 27.496 -0.270 2.798 416 HG LEU 50 HG LEU 50 24.745 -1.021 3.762 417 HD11 LEU 50 HD11 LEU 50 24.995 -0.673 0.906 418 HD12 LEU 50 HD12 LEU 50 25.288 0.836 1.770 419 HD13 LEU 50 HD13 LEU 50 23.779 -0.043 2.018 420 HD21 LEU 50 HD21 LEU 50 25.656 -3.027 3.300 421 HD22 LEU 50 HD22 LEU 50 26.932 -2.337 2.297 422 HD23 LEU 50 HD23 LEU 50 25.316 -2.576 1.629 423 H GLY 51 H GLY 51 27.057 1.852 5.303 424 HA2 GLY 51 HA2 GLY 51 28.672 2.868 6.967 425 HA3 GLY 51 HA3 GLY 51 29.918 2.100 5.994 426 H ILE 52 H ILE 52 27.005 3.774 4.881 427 HA ILE 52 HA ILE 52 28.640 5.419 3.138 428 HB ILE 52 HB ILE 52 26.524 4.372 2.335 429 HG12 ILE 52 HG12 ILE 52 25.990 7.273 2.094 430 HG13 ILE 52 HG13 ILE 52 27.616 6.756 1.660 431 HG21 ILE 52 HG21 ILE 52 24.756 6.385 3.417 432 HG22 ILE 52 HG22 ILE 52 24.580 4.631 3.386 433 HG23 ILE 52 HG23 ILE 52 25.477 5.404 4.693 434 HD11 ILE 52 HD11 ILE 52 25.014 5.882 0.446 435 HD12 ILE 52 HD12 ILE 52 26.341 6.752 -0.323 436 HD13 ILE 52 HD13 ILE 52 26.546 5.063 0.141 437 H LYS 53 H LYS 53 28.733 7.659 3.165 438 HA LYS 53 HA LYS 53 28.117 8.870 5.758 439 HB2 LYS 53 HB2 LYS 53 29.977 9.620 3.513 440 HB3 LYS 53 HB3 LYS 53 29.567 10.763 4.786 441 HG2 LYS 53 HG2 LYS 53 30.808 8.057 5.240 442 HG3 LYS 53 HG3 LYS 53 31.692 9.584 5.185 443 HD2 LYS 53 HD2 LYS 53 29.960 10.297 7.019 444 HD3 LYS 53 HD3 LYS 53 29.796 8.555 7.249 445 HE2 LYS 53 HE2 LYS 53 32.043 8.313 7.866 446 HE3 LYS 53 HE3 LYS 53 32.485 9.886 7.204 447 HZ1 LYS 53 HZ1 LYS 53 32.065 10.834 9.146 448 HZ2 LYS 53 HZ2 LYS 53 31.818 9.303 9.819 449 HZ3 LYS 53 HZ3 LYS 53 30.506 10.178 9.208 Start of MODEL 16 1 H1 MET 1 H MET 1 1.602 -2.528 1.472 2 HA MET 1 HA MET 1 1.276 -0.549 -0.677 3 HB2 MET 1 HB2 MET 1 1.141 0.128 1.793 4 HB3 MET 1 HB3 MET 1 2.876 -0.155 1.844 5 HG2 MET 1 HG2 MET 1 3.072 1.475 -0.071 6 HG3 MET 1 HG3 MET 1 1.382 1.879 0.221 7 HE1 MET 1 HE1 MET 1 4.467 3.203 0.360 8 HE2 MET 1 HE2 MET 1 3.247 4.471 0.477 9 HE3 MET 1 HE3 MET 1 4.488 4.324 1.722 10 H ALA 2 H ALA 2 2.995 0.060 -1.951 11 HA ALA 2 HA ALA 2 5.250 -1.801 -1.972 12 HB1 ALA 2 HB1 ALA 2 5.638 -0.356 -4.190 13 HB2 ALA 2 HB2 ALA 2 4.557 -1.748 -4.126 14 HB3 ALA 2 HB3 ALA 2 3.902 -0.117 -3.992 15 H GLY 3 H GLY 3 6.099 -0.701 0.001 16 HA2 GLY 3 HA2 GLY 3 7.234 1.947 -0.427 17 HA3 GLY 3 HA3 GLY 3 7.281 1.021 1.066 18 H PHE 4 H PHE 4 8.246 -1.367 -0.501 19 HA PHE 4 HA PHE 4 10.977 -1.088 -0.006 20 HB2 PHE 4 HB2 PHE 4 10.056 -3.286 -0.103 21 HB3 PHE 4 HB3 PHE 4 9.451 -3.032 -1.737 22 HD1 PHE 4 HD1 PHE 4 12.395 -3.756 0.304 23 HD2 PHE 4 HD2 PHE 4 10.917 -3.185 -3.647 24 HE1 PHE 4 HE1 PHE 4 14.462 -4.730 -0.606 25 HE2 PHE 4 HE2 PHE 4 12.982 -4.160 -4.563 26 HZ PHE 4 HZ PHE 4 14.758 -4.934 -3.043 27 H LEU 5 H LEU 5 9.121 -0.631 -2.968 28 HA LEU 5 HA LEU 5 11.451 -0.172 -4.590 29 HB2 LEU 5 HB2 LEU 5 8.498 0.092 -5.035 30 HB3 LEU 5 HB3 LEU 5 9.659 0.670 -6.229 31 HG LEU 5 HG LEU 5 10.140 -2.087 -5.403 32 HD11 LEU 5 HD11 LEU 5 8.172 -2.844 -6.890 33 HD12 LEU 5 HD12 LEU 5 7.467 -1.280 -6.480 34 HD13 LEU 5 HD13 LEU 5 7.856 -2.434 -5.204 35 HD21 LEU 5 HD21 LEU 5 10.753 -2.333 -7.583 36 HD22 LEU 5 HD22 LEU 5 10.941 -0.586 -7.434 37 HD23 LEU 5 HD23 LEU 5 9.489 -1.257 -8.178 38 H LYS 6 H LYS 6 9.297 1.745 -2.666 39 HA LYS 6 HA LYS 6 9.985 4.260 -3.865 40 HB2 LYS 6 HB2 LYS 6 7.859 4.153 -2.815 41 HB3 LYS 6 HB3 LYS 6 8.540 3.490 -1.335 42 HG2 LYS 6 HG2 LYS 6 7.914 5.801 -1.014 43 HG3 LYS 6 HG3 LYS 6 9.667 5.625 -0.908 44 HD2 LYS 6 HD2 LYS 6 9.200 7.580 -2.205 45 HD3 LYS 6 HD3 LYS 6 9.806 6.335 -3.300 46 HE2 LYS 6 HE2 LYS 6 7.473 5.789 -3.908 47 HE3 LYS 6 HE3 LYS 6 6.921 7.107 -2.876 48 HZ1 LYS 6 HZ1 LYS 6 7.748 7.236 -5.539 49 HZ2 LYS 6 HZ2 LYS 6 8.879 8.095 -4.621 50 HZ3 LYS 6 HZ3 LYS 6 7.240 8.506 -4.542 51 H VAL 7 H VAL 7 11.039 2.416 -1.052 52 HA VAL 7 HA VAL 7 12.695 4.442 0.050 53 HB VAL 7 HB VAL 7 13.712 2.641 1.377 54 HG11 VAL 7 HG11 VAL 7 10.850 3.177 1.210 55 HG12 VAL 7 HG12 VAL 7 11.233 1.649 2.006 56 HG13 VAL 7 HG13 VAL 7 11.920 3.157 2.611 57 HG21 VAL 7 HG21 VAL 7 13.652 0.955 -0.484 58 HG22 VAL 7 HG22 VAL 7 13.141 0.347 1.091 59 HG23 VAL 7 HG23 VAL 7 11.936 0.736 -0.137 60 H VAL 8 H VAL 8 13.105 2.153 -2.512 61 HA VAL 8 HA VAL 8 15.986 2.304 -2.541 62 HB VAL 8 HB VAL 8 14.068 1.172 -4.583 63 HG11 VAL 8 HG11 VAL 8 15.945 1.484 -5.856 64 HG12 VAL 8 HG12 VAL 8 17.038 1.352 -4.476 65 HG13 VAL 8 HG13 VAL 8 16.300 -0.097 -5.160 66 HG21 VAL 8 HG21 VAL 8 14.016 -0.719 -3.399 67 HG22 VAL 8 HG22 VAL 8 15.758 -0.689 -3.127 68 HG23 VAL 8 HG23 VAL 8 14.684 0.219 -2.064 69 H GLN 9 H GLN 9 13.344 4.042 -3.926 70 HA GLN 9 HA GLN 9 14.637 5.135 -6.181 71 HB2 GLN 9 HB2 GLN 9 12.267 5.953 -4.533 72 HB3 GLN 9 HB3 GLN 9 12.872 7.011 -5.801 73 HG2 GLN 9 HG2 GLN 9 12.715 4.763 -7.208 74 HG3 GLN 9 HG3 GLN 9 11.481 4.409 -5.999 75 HE21 GLN 9 HE21 GLN 9 9.649 4.635 -7.117 76 HE22 GLN 9 HE22 GLN 9 9.168 6.068 -7.954 77 H LEU 10 H LEU 10 14.803 5.870 -2.806 78 HA LEU 10 HA LEU 10 15.887 8.511 -3.134 79 HB2 LEU 10 HB2 LEU 10 15.977 6.722 -0.712 80 HB3 LEU 10 HB3 LEU 10 16.243 8.464 -0.748 81 HG LEU 10 HG LEU 10 13.642 7.006 -1.199 82 HD11 LEU 10 HD11 LEU 10 14.747 8.730 0.992 83 HD12 LEU 10 HD12 LEU 10 14.022 7.126 1.101 84 HD13 LEU 10 HD13 LEU 10 13.010 8.530 0.758 85 HD21 LEU 10 HD21 LEU 10 12.627 9.192 -1.497 86 HD22 LEU 10 HD22 LEU 10 13.852 8.910 -2.734 87 HD23 LEU 10 HD23 LEU 10 14.207 9.965 -1.365 88 H LEU 11 H LEU 11 17.134 5.286 -3.026 89 HA LEU 11 HA LEU 11 19.802 5.894 -2.294 90 HB2 LEU 11 HB2 LEU 11 18.458 3.588 -3.637 91 HB3 LEU 11 HB3 LEU 11 20.217 3.666 -3.579 92 HG LEU 11 HG LEU 11 19.378 2.258 -1.800 93 HD11 LEU 11 HD11 LEU 11 20.116 4.577 -0.172 94 HD12 LEU 11 HD12 LEU 11 21.207 4.250 -1.518 95 HD13 LEU 11 HD13 LEU 11 20.886 2.997 -0.319 96 HD21 LEU 11 HD21 LEU 11 17.176 3.689 -1.725 97 HD22 LEU 11 HD22 LEU 11 18.046 4.562 -0.463 98 HD23 LEU 11 HD23 LEU 11 17.749 2.831 -0.294 99 H ALA 12 H ALA 12 18.036 6.513 -5.108 100 HA ALA 12 HA ALA 12 19.826 6.207 -7.183 101 HB1 ALA 12 HB1 ALA 12 18.493 7.636 -8.414 102 HB2 ALA 12 HB2 ALA 12 17.383 7.092 -7.155 103 HB3 ALA 12 HB3 ALA 12 18.149 8.676 -7.031 104 H LYS 13 H LYS 13 19.323 9.265 -5.409 105 HA LYS 13 HA LYS 13 21.554 10.585 -6.442 106 HB2 LYS 13 HB2 LYS 13 21.311 12.117 -4.520 107 HB3 LYS 13 HB3 LYS 13 19.773 11.783 -5.306 108 HG2 LYS 13 HG2 LYS 13 19.119 11.545 -3.154 109 HG3 LYS 13 HG3 LYS 13 19.672 9.894 -3.442 110 HD2 LYS 13 HD2 LYS 13 21.503 10.133 -2.116 111 HD3 LYS 13 HD3 LYS 13 21.698 11.843 -2.507 112 HE2 LYS 13 HE2 LYS 13 21.039 11.398 -0.143 113 HE3 LYS 13 HE3 LYS 13 19.932 12.455 -1.017 114 HZ1 LYS 13 HZ1 LYS 13 19.181 10.307 0.402 115 HZ2 LYS 13 HZ2 LYS 13 19.275 9.644 -1.151 116 HZ3 LYS 13 HZ3 LYS 13 18.275 10.978 -0.860 117 H TYR 14 H TYR 14 21.291 8.217 -3.928 118 HA TYR 14 HA TYR 14 23.784 8.779 -2.658 119 HB2 TYR 14 HB2 TYR 14 21.742 6.622 -2.517 120 HB3 TYR 14 HB3 TYR 14 23.363 6.233 -1.951 121 HD1 TYR 14 HD2 TYR 14 24.379 8.259 -0.424 122 HD2 TYR 14 HD1 TYR 14 20.264 7.283 -0.887 123 HE1 TYR 14 HE2 TYR 14 23.887 9.333 1.734 124 HE2 TYR 14 HE1 TYR 14 19.760 8.355 1.269 125 HH TYR 14 HH TYR 14 21.436 10.458 2.712 126 H GLY 15 H GLY 15 22.808 6.958 -5.443 127 HA2 GLY 15 HA2 GLY 15 24.638 6.614 -7.082 128 HA3 GLY 15 HA3 GLY 15 25.589 6.000 -5.738 129 H SER 16 H SER 16 25.619 4.311 -7.657 130 HA SER 16 HA SER 16 23.355 2.473 -7.442 131 HB2 SER 16 HB2 SER 16 23.999 1.575 -9.469 132 HB3 SER 16 HB3 SER 16 24.611 3.219 -9.650 133 HG SER 16 HG SER 16 26.577 2.474 -9.647 134 H LYS 17 H LYS 17 25.352 2.905 -5.287 135 HA LYS 17 HA LYS 17 26.498 0.196 -5.144 136 HB2 LYS 17 HB2 LYS 17 27.399 2.845 -4.118 137 HB3 LYS 17 HB3 LYS 17 27.790 1.419 -3.165 138 HG2 LYS 17 HG2 LYS 17 28.789 0.437 -5.258 139 HG3 LYS 17 HG3 LYS 17 28.605 2.032 -5.992 140 HD2 LYS 17 HD2 LYS 17 29.970 1.822 -3.352 141 HD3 LYS 17 HD3 LYS 17 30.848 1.325 -4.801 142 HE2 LYS 17 HE2 LYS 17 31.411 3.561 -4.624 143 HE3 LYS 17 HE3 LYS 17 30.058 3.605 -5.753 144 HZ1 LYS 17 HZ1 LYS 17 29.357 3.830 -2.947 145 HZ2 LYS 17 HZ2 LYS 17 28.757 4.673 -4.285 146 HZ3 LYS 17 HZ3 LYS 17 30.224 5.137 -3.582 147 H ALA 18 H ALA 18 24.815 2.681 -3.255 148 HA ALA 18 HA ALA 18 24.375 0.980 -1.001 149 HB1 ALA 18 HB1 ALA 18 23.074 3.586 -1.781 150 HB2 ALA 18 HB2 ALA 18 22.875 2.777 -0.226 151 HB3 ALA 18 HB3 ALA 18 24.461 3.378 -0.710 152 H VAL 19 H VAL 19 22.737 1.551 -3.994 153 HA VAL 19 HA VAL 19 20.179 0.564 -3.171 154 HB VAL 19 HB VAL 19 20.390 2.080 -5.085 155 HG11 VAL 19 HG11 VAL 19 22.551 1.216 -5.913 156 HG12 VAL 19 HG12 VAL 19 21.721 -0.224 -6.504 157 HG13 VAL 19 HG13 VAL 19 21.338 1.358 -7.185 158 HG21 VAL 19 HG21 VAL 19 18.529 1.215 -5.952 159 HG22 VAL 19 HG22 VAL 19 19.385 -0.200 -6.564 160 HG23 VAL 19 HG23 VAL 19 18.791 -0.178 -4.904 161 H GLN 20 H GLN 20 23.092 -0.837 -4.499 162 HA GLN 20 HA GLN 20 22.072 -3.277 -5.408 163 HB2 GLN 20 HB2 GLN 20 24.466 -2.218 -5.582 164 HB3 GLN 20 HB3 GLN 20 24.763 -3.129 -4.108 165 HG2 GLN 20 HG2 GLN 20 23.992 -5.175 -5.329 166 HG3 GLN 20 HG3 GLN 20 23.977 -4.205 -6.801 167 HE21 GLN 20 HE21 GLN 20 25.604 -6.551 -5.891 168 HE22 GLN 20 HE22 GLN 20 27.244 -6.065 -6.133 169 H TRP 21 H TRP 21 22.662 -2.107 -2.206 170 HA TRP 21 HA TRP 21 22.784 -4.626 -0.893 171 HB2 TRP 21 HB2 TRP 21 23.553 -2.373 0.020 172 HB3 TRP 21 HB3 TRP 21 21.856 -2.038 0.349 173 HD1 TRP 21 HD1 TRP 21 24.357 -4.898 1.193 174 HE1 TRP 21 HE1 TRP 21 23.910 -5.639 3.617 175 HE3 TRP 21 HE3 TRP 21 20.437 -1.802 2.278 176 HZ2 TRP 21 HZ2 TRP 21 22.131 -4.996 5.712 177 HZ3 TRP 21 HZ3 TRP 21 19.418 -1.927 4.514 178 HH2 TRP 21 HH2 TRP 21 20.249 -3.492 6.194 179 H ALA 22 H ALA 22 20.175 -2.189 -0.962 180 HA ALA 22 HA ALA 22 18.200 -3.679 0.259 181 HB1 ALA 22 HB1 ALA 22 18.010 -1.286 -0.278 182 HB2 ALA 22 HB2 ALA 22 17.802 -1.699 -1.981 183 HB3 ALA 22 HB3 ALA 22 16.595 -2.203 -0.798 184 H TRP 23 H TRP 23 19.390 -3.868 -3.017 185 HA TRP 23 HA TRP 23 17.221 -5.546 -3.926 186 HB2 TRP 23 HB2 TRP 23 19.709 -4.425 -5.145 187 HB3 TRP 23 HB3 TRP 23 18.951 -5.820 -5.908 188 HD1 TRP 23 HD1 TRP 23 18.815 -2.142 -5.886 189 HE1 TRP 23 HE1 TRP 23 16.718 -1.300 -7.118 190 HE3 TRP 23 HE3 TRP 23 16.227 -6.541 -6.186 191 HZ2 TRP 23 HZ2 TRP 23 14.288 -2.359 -8.088 192 HZ3 TRP 23 HZ3 TRP 23 14.024 -6.541 -7.281 193 HH2 TRP 23 HH2 TRP 23 13.076 -4.492 -8.211 194 H ALA 24 H ALA 24 20.491 -5.943 -2.736 195 HA ALA 24 HA ALA 24 20.872 -8.631 -3.499 196 HB1 ALA 24 HB1 ALA 24 22.816 -7.511 -2.890 197 HB2 ALA 24 HB2 ALA 24 22.105 -6.880 -1.404 198 HB3 ALA 24 HB3 ALA 24 22.526 -8.589 -1.524 199 H ASN 25 H ASN 25 20.141 -7.353 -0.244 200 HA ASN 25 HA ASN 25 18.974 -9.956 0.439 201 HB2 ASN 25 HB2 ASN 25 19.245 -9.323 2.755 202 HB3 ASN 25 HB3 ASN 25 20.760 -9.022 1.910 203 HD21 ASN 25 HD21 ASN 25 21.254 -6.836 1.309 204 HD22 ASN 25 HD22 ASN 25 20.627 -5.526 2.245 205 H LYS 26 H LYS 26 16.860 -10.205 0.880 206 HA LYS 26 HA LYS 26 15.191 -7.802 1.156 207 HB2 LYS 26 HB2 LYS 26 14.954 -10.005 -0.838 208 HB3 LYS 26 HB3 LYS 26 13.470 -9.328 -0.179 209 HG2 LYS 26 HG2 LYS 26 14.440 -7.052 -0.834 210 HG3 LYS 26 HG3 LYS 26 15.587 -7.973 -1.809 211 HD2 LYS 26 HD2 LYS 26 12.678 -8.573 -2.061 212 HD3 LYS 26 HD3 LYS 26 13.316 -7.118 -2.829 213 HE2 LYS 26 HE2 LYS 26 13.371 -8.885 -4.437 214 HE3 LYS 26 HE3 LYS 26 15.030 -8.549 -3.943 215 HZ1 LYS 26 HZ1 LYS 26 15.146 -10.496 -2.720 216 HZ2 LYS 26 HZ2 LYS 26 14.272 -10.973 -4.088 217 HZ3 LYS 26 HZ3 LYS 26 13.466 -10.678 -2.630 218 H GLY 27 H GLY 27 14.628 -7.994 3.256 219 HA2 GLY 27 HA2 GLY 27 12.641 -9.762 4.066 220 HA3 GLY 27 HA3 GLY 27 14.171 -10.461 4.576 221 H LYS 28 H LYS 28 15.660 -8.536 5.521 222 HA LYS 28 HA LYS 28 14.352 -7.778 7.944 223 HB2 LYS 28 HB2 LYS 28 17.037 -6.794 6.984 224 HB3 LYS 28 HB3 LYS 28 16.470 -6.937 8.643 225 HG2 LYS 28 HG2 LYS 28 16.951 -9.262 6.792 226 HG3 LYS 28 HG3 LYS 28 18.094 -8.681 8.005 227 HD2 LYS 28 HD2 LYS 28 15.291 -9.598 8.631 228 HD3 LYS 28 HD3 LYS 28 16.715 -10.637 8.731 229 HE2 LYS 28 HE2 LYS 28 17.691 -8.899 10.300 230 HE3 LYS 28 HE3 LYS 28 16.080 -8.185 10.355 231 HZ1 LYS 28 HZ1 LYS 28 17.068 -10.380 11.800 232 HZ2 LYS 28 HZ2 LYS 28 15.807 -10.920 10.811 233 HZ3 LYS 28 HZ3 LYS 28 15.544 -9.653 11.901 234 H ILE 29 H ILE 29 15.206 -6.147 4.967 235 HA ILE 29 HA ILE 29 14.690 -3.506 5.951 236 HB ILE 29 HB ILE 29 14.734 -4.388 3.067 237 HG12 ILE 29 HG12 ILE 29 17.038 -3.509 4.821 238 HG13 ILE 29 HG13 ILE 29 16.777 -5.139 4.209 239 HG21 ILE 29 HG21 ILE 29 14.588 -2.230 2.534 240 HG22 ILE 29 HG22 ILE 29 14.125 -1.947 4.211 241 HG23 ILE 29 HG23 ILE 29 15.810 -1.777 3.721 242 HD11 ILE 29 HD11 ILE 29 16.822 -3.944 1.886 243 HD12 ILE 29 HD12 ILE 29 17.695 -2.700 2.781 244 HD13 ILE 29 HD13 ILE 29 18.320 -4.348 2.724 245 H LEU 30 H LEU 30 12.813 -6.024 4.430 246 HA LEU 30 HA LEU 30 10.623 -4.476 3.577 247 HB2 LEU 30 HB2 LEU 30 11.079 -7.351 4.190 248 HB3 LEU 30 HB3 LEU 30 9.418 -6.785 4.023 249 HG LEU 30 HG LEU 30 10.309 -7.778 1.952 250 HD11 LEU 30 HD11 LEU 30 9.027 -6.400 0.758 251 HD12 LEU 30 HD12 LEU 30 10.072 -5.015 1.074 252 HD13 LEU 30 HD13 LEU 30 8.836 -5.472 2.246 253 HD21 LEU 30 HD21 LEU 30 12.669 -6.849 2.467 254 HD22 LEU 30 HD22 LEU 30 12.094 -5.394 1.652 255 HD23 LEU 30 HD23 LEU 30 12.127 -6.933 0.790 256 H ASP 31 H ASP 31 11.603 -5.584 6.697 257 HA ASP 31 HA ASP 31 9.007 -5.221 7.914 258 HB2 ASP 31 HB2 ASP 31 11.707 -6.073 8.844 259 HB3 ASP 31 HB3 ASP 31 10.595 -5.417 10.043 260 H TRP 32 H TRP 32 11.985 -3.416 7.546 261 HA TRP 32 HA TRP 32 11.623 -1.449 9.479 262 HB2 TRP 32 HB2 TRP 32 12.983 -1.416 6.791 263 HB3 TRP 32 HB3 TRP 32 12.960 0.007 7.830 264 HD1 TRP 32 HD1 TRP 32 13.265 -2.059 10.505 265 HE1 TRP 32 HE1 TRP 32 15.665 -2.804 11.059 266 HE3 TRP 32 HE3 TRP 32 15.481 -1.062 6.008 267 HZ2 TRP 32 HZ2 TRP 32 18.168 -2.948 9.761 268 HZ3 TRP 32 HZ3 TRP 32 17.882 -1.532 5.746 269 HH2 TRP 32 HH2 TRP 32 19.196 -2.455 7.585 270 H LEU 33 H LEU 33 9.981 -1.953 6.481 271 HA LEU 33 HA LEU 33 8.918 0.730 6.332 272 HB2 LEU 33 HB2 LEU 33 8.597 -1.778 4.745 273 HB3 LEU 33 HB3 LEU 33 7.422 -0.477 4.561 274 HG LEU 33 HG LEU 33 10.339 0.099 4.243 275 HD11 LEU 33 HD11 LEU 33 9.929 -0.306 1.762 276 HD12 LEU 33 HD12 LEU 33 8.547 -1.277 2.268 277 HD13 LEU 33 HD13 LEU 33 10.173 -1.725 2.782 278 HD21 LEU 33 HD21 LEU 33 7.779 1.407 3.723 279 HD22 LEU 33 HD22 LEU 33 8.908 1.489 2.370 280 HD23 LEU 33 HD23 LEU 33 9.384 2.102 3.954 281 H ASN 34 H ASN 34 7.913 -2.407 7.509 282 HA ASN 34 HA ASN 34 5.265 -1.336 8.183 283 HB2 ASN 34 HB2 ASN 34 4.654 -3.696 8.632 284 HB3 ASN 34 HB3 ASN 34 5.224 -3.451 6.983 285 HD21 ASN 34 HD21 ASN 34 6.081 -5.361 6.481 286 HD22 ASN 34 HD22 ASN 34 7.339 -6.149 7.365 287 H ALA 35 H ALA 35 7.810 -0.714 9.593 288 HA ALA 35 HA ALA 35 6.937 -1.535 12.280 289 HB1 ALA 35 HB1 ALA 35 9.759 -1.513 11.227 290 HB2 ALA 35 HB2 ALA 35 9.351 -1.619 12.940 291 HB3 ALA 35 HB3 ALA 35 8.843 -2.894 11.833 292 H GLY 36 H GLY 36 6.285 0.872 10.920 293 HA2 GLY 36 HA2 GLY 36 6.295 2.855 12.601 294 HA3 GLY 36 HA3 GLY 36 8.005 2.885 12.194 295 H GLN 37 H GLN 37 7.181 1.996 9.386 296 HA GLN 37 HA GLN 37 6.925 3.019 7.370 297 HB2 GLN 37 HB2 GLN 37 4.764 4.310 9.012 298 HB3 GLN 37 HB3 GLN 37 5.007 4.750 7.326 299 HG2 GLN 37 HG2 GLN 37 4.541 2.529 6.602 300 HG3 GLN 37 HG3 GLN 37 4.537 1.932 8.261 301 HE21 GLN 37 HE21 GLN 37 2.711 3.311 5.749 302 HE22 GLN 37 HE22 GLN 37 1.220 3.481 6.604 303 H ALA 38 H ALA 38 8.995 4.035 8.999 304 HA ALA 38 HA ALA 38 8.967 6.902 8.323 305 HB1 ALA 38 HB1 ALA 38 10.945 6.923 9.998 306 HB2 ALA 38 HB2 ALA 38 9.294 6.834 10.612 307 HB3 ALA 38 HB3 ALA 38 10.285 5.377 10.532 308 H ILE 39 H ILE 39 9.770 6.917 6.272 309 HA ILE 39 HA ILE 39 11.731 5.272 5.202 310 HB ILE 39 HB ILE 39 11.191 8.154 4.478 311 HG12 ILE 39 HG12 ILE 39 10.051 5.610 3.301 312 HG13 ILE 39 HG13 ILE 39 9.190 6.683 4.400 313 HG21 ILE 39 HG21 ILE 39 12.830 7.956 2.998 314 HG22 ILE 39 HG22 ILE 39 13.143 6.307 3.536 315 HG23 ILE 39 HG23 ILE 39 11.976 6.607 2.248 316 HD11 ILE 39 HD11 ILE 39 10.133 8.288 2.299 317 HD12 ILE 39 HD12 ILE 39 9.452 6.835 1.566 318 HD13 ILE 39 HD13 ILE 39 8.470 7.819 2.651 319 H ASP 40 H ASP 40 12.134 8.527 6.595 320 HA ASP 40 HA ASP 40 14.890 8.732 6.317 321 HB2 ASP 40 HB2 ASP 40 12.944 9.914 8.280 322 HB3 ASP 40 HB3 ASP 40 14.670 10.237 8.420 323 H TRP 41 H TRP 41 12.996 6.941 8.619 324 HA TRP 41 HA TRP 41 15.156 6.488 10.456 325 HB2 TRP 41 HB2 TRP 41 12.711 6.453 11.073 326 HB3 TRP 41 HB3 TRP 41 12.584 4.920 10.215 327 HD1 TRP 41 HD1 TRP 41 13.972 6.454 13.421 328 HE1 TRP 41 HE1 TRP 41 14.623 4.556 15.034 329 HE3 TRP 41 HE3 TRP 41 13.370 2.471 10.273 330 HZ2 TRP 41 HZ2 TRP 41 14.852 1.744 14.978 331 HZ3 TRP 41 HZ3 TRP 41 13.826 0.210 11.131 332 HH2 TRP 41 HH2 TRP 41 14.552 -0.144 13.435 333 H VAL 42 H VAL 42 13.925 4.949 7.599 334 HA VAL 42 HA VAL 42 15.262 2.440 8.041 335 HB VAL 42 HB VAL 42 14.077 3.551 5.493 336 HG11 VAL 42 HG11 VAL 42 15.421 1.025 6.181 337 HG12 VAL 42 HG12 VAL 42 13.913 0.862 5.279 338 HG13 VAL 42 HG13 VAL 42 15.236 1.826 4.622 339 HG21 VAL 42 HG21 VAL 42 12.854 2.520 7.889 340 HG22 VAL 42 HG22 VAL 42 12.100 3.229 6.461 341 HG23 VAL 42 HG23 VAL 42 12.466 1.504 6.500 342 H VAL 43 H VAL 43 15.820 5.303 6.022 343 HA VAL 43 HA VAL 43 18.138 4.342 4.732 344 HB VAL 43 HB VAL 43 17.433 7.222 5.306 345 HG11 VAL 43 HG11 VAL 43 19.489 7.498 4.431 346 HG12 VAL 43 HG12 VAL 43 19.515 5.885 3.714 347 HG13 VAL 43 HG13 VAL 43 18.667 7.200 2.899 348 HG21 VAL 43 HG21 VAL 43 15.599 5.971 4.203 349 HG22 VAL 43 HG22 VAL 43 16.279 7.245 3.190 350 HG23 VAL 43 HG23 VAL 43 16.709 5.560 2.895 351 H SER 44 H SER 44 17.643 6.123 7.733 352 HA SER 44 HA SER 44 20.330 6.759 8.255 353 HB2 SER 44 HB2 SER 44 18.479 7.812 9.467 354 HB3 SER 44 HB3 SER 44 18.068 6.266 10.208 355 HG SER 44 HG SER 44 19.342 7.089 11.710 356 H LYS 45 H LYS 45 18.626 3.790 8.418 357 HA LYS 45 HA LYS 45 20.613 2.554 10.166 358 HB2 LYS 45 HB2 LYS 45 18.131 1.377 8.902 359 HB3 LYS 45 HB3 LYS 45 19.161 0.576 10.080 360 HG2 LYS 45 HG2 LYS 45 17.983 3.204 10.806 361 HG3 LYS 45 HG3 LYS 45 16.931 1.786 10.783 362 HD2 LYS 45 HD2 LYS 45 17.665 1.673 12.942 363 HD3 LYS 45 HD3 LYS 45 18.937 0.734 12.157 364 HE2 LYS 45 HE2 LYS 45 20.460 2.508 12.251 365 HE3 LYS 45 HE3 LYS 45 19.192 3.699 12.535 366 HZ1 LYS 45 HZ1 LYS 45 19.486 1.603 14.535 367 HZ2 LYS 45 HZ2 LYS 45 19.130 3.245 14.731 368 HZ3 LYS 45 HZ3 LYS 45 20.726 2.753 14.463 369 H ILE 46 H ILE 46 21.082 3.496 7.330 370 HA ILE 46 HA ILE 46 21.944 0.924 6.179 371 HB ILE 46 HB ILE 46 21.450 3.543 4.758 372 HG12 ILE 46 HG12 ILE 46 19.900 0.944 4.722 373 HG13 ILE 46 HG13 ILE 46 19.379 2.443 5.484 374 HG21 ILE 46 HG21 ILE 46 22.212 0.840 3.659 375 HG22 ILE 46 HG22 ILE 46 21.820 2.269 2.704 376 HG23 ILE 46 HG23 ILE 46 23.252 2.262 3.732 377 HD11 ILE 46 HD11 ILE 46 19.746 3.367 3.028 378 HD12 ILE 46 HD12 ILE 46 19.426 1.679 2.630 379 HD13 ILE 46 HD13 ILE 46 18.238 2.612 3.540 380 H LYS 47 H LYS 47 22.923 4.205 6.973 381 HA LYS 47 HA LYS 47 25.507 4.128 5.859 382 HB2 LYS 47 HB2 LYS 47 25.997 5.972 7.490 383 HB3 LYS 47 HB3 LYS 47 24.578 6.241 6.487 384 HG2 LYS 47 HG2 LYS 47 23.643 4.943 8.781 385 HG3 LYS 47 HG3 LYS 47 24.801 6.150 9.345 386 HD2 LYS 47 HD2 LYS 47 22.871 7.008 7.267 387 HD3 LYS 47 HD3 LYS 47 22.226 6.710 8.883 388 HE2 LYS 47 HE2 LYS 47 22.823 9.023 8.729 389 HE3 LYS 47 HE3 LYS 47 23.984 8.225 9.789 390 HZ1 LYS 47 HZ1 LYS 47 24.728 8.308 6.993 391 HZ2 LYS 47 HZ2 LYS 47 25.662 8.601 8.372 392 HZ3 LYS 47 HZ3 LYS 47 24.662 9.817 7.755 393 H GLN 48 H GLN 48 24.185 2.779 8.761 394 HA GLN 48 HA GLN 48 26.743 2.367 10.030 395 HB2 GLN 48 HB2 GLN 48 25.471 1.163 11.736 396 HB3 GLN 48 HB3 GLN 48 24.735 2.721 11.387 397 HG2 GLN 48 HG2 GLN 48 22.990 1.713 10.135 398 HG3 GLN 48 HG3 GLN 48 23.797 0.146 10.157 399 HE21 GLN 48 HE21 GLN 48 23.214 2.496 12.737 400 HE22 GLN 48 HE22 GLN 48 22.319 1.423 13.753 401 H ILE 49 H ILE 49 24.642 0.632 7.887 402 HA ILE 49 HA ILE 49 25.796 -1.951 8.364 403 HB ILE 49 HB ILE 49 24.156 -1.026 6.003 404 HG12 ILE 49 HG12 ILE 49 22.925 -0.686 8.075 405 HG13 ILE 49 HG13 ILE 49 22.253 -2.061 7.205 406 HG21 ILE 49 HG21 ILE 49 23.821 -3.779 6.656 407 HG22 ILE 49 HG22 ILE 49 24.441 -3.061 5.170 408 HG23 ILE 49 HG23 ILE 49 25.544 -3.438 6.493 409 HD11 ILE 49 HD11 ILE 49 22.322 -2.939 9.290 410 HD12 ILE 49 HD12 ILE 49 23.943 -3.383 8.755 411 HD13 ILE 49 HD13 ILE 49 23.709 -1.966 9.778 412 H LEU 50 H LEU 50 25.740 -0.030 5.360 413 HA LEU 50 HA LEU 50 28.079 -1.348 4.362 414 HB2 LEU 50 HB2 LEU 50 26.797 1.154 3.290 415 HB3 LEU 50 HB3 LEU 50 27.827 0.018 2.422 416 HG LEU 50 HG LEU 50 25.020 -0.504 3.398 417 HD11 LEU 50 HD11 LEU 50 25.000 0.952 1.497 418 HD12 LEU 50 HD12 LEU 50 24.545 -0.666 0.963 419 HD13 LEU 50 HD13 LEU 50 26.171 -0.059 0.650 420 HD21 LEU 50 HD21 LEU 50 27.067 -2.261 2.081 421 HD22 LEU 50 HD22 LEU 50 25.338 -2.583 1.948 422 HD23 LEU 50 HD23 LEU 50 26.114 -2.570 3.532 423 H GLY 51 H GLY 51 27.425 2.098 5.047 424 HA2 GLY 51 HA2 GLY 51 29.101 3.097 6.663 425 HA3 GLY 51 HA3 GLY 51 30.311 2.414 5.587 426 H ILE 52 H ILE 52 27.301 3.948 4.588 427 HA ILE 52 HA ILE 52 28.794 5.767 2.902 428 HB ILE 52 HB ILE 52 26.721 4.634 2.105 429 HG12 ILE 52 HG12 ILE 52 26.115 7.553 2.047 430 HG13 ILE 52 HG13 ILE 52 27.671 7.025 1.416 431 HG21 ILE 52 HG21 ILE 52 24.819 6.448 3.235 432 HG22 ILE 52 HG22 ILE 52 24.841 4.686 3.282 433 HG23 ILE 52 HG23 ILE 52 25.678 5.611 4.528 434 HD11 ILE 52 HD11 ILE 52 24.931 6.269 0.457 435 HD12 ILE 52 HD12 ILE 52 26.202 7.125 -0.418 436 HD13 ILE 52 HD13 ILE 52 26.391 5.413 -0.037 437 H LYS 53 H LYS 53 28.634 8.035 2.959 438 HA LYS 53 HA LYS 53 27.935 9.107 5.609 439 HB2 LYS 53 HB2 LYS 53 30.074 9.751 3.638 440 HB3 LYS 53 HB3 LYS 53 29.433 11.071 4.607 441 HG2 LYS 53 HG2 LYS 53 30.405 8.525 5.857 442 HG3 LYS 53 HG3 LYS 53 31.496 9.860 5.476 443 HD2 LYS 53 HD2 LYS 53 28.999 10.316 7.073 444 HD3 LYS 53 HD3 LYS 53 30.475 9.728 7.844 445 HE2 LYS 53 HE2 LYS 53 30.671 12.098 6.061 446 HE3 LYS 53 HE3 LYS 53 29.928 12.313 7.645 447 HZ1 LYS 53 HZ1 LYS 53 32.552 12.470 7.197 448 HZ2 LYS 53 HZ2 LYS 53 32.424 10.841 7.633 449 HZ3 LYS 53 HZ3 LYS 53 31.880 12.044 8.690 Start of MODEL 17 1 H1 MET 1 H MET 1 0.109 -0.191 -2.956 2 HA MET 1 HA MET 1 1.356 0.426 -0.809 3 HB2 MET 1 HB2 MET 1 0.638 -1.647 0.386 4 HB3 MET 1 HB3 MET 1 -0.621 -0.920 -0.603 5 HG2 MET 1 HG2 MET 1 -0.613 -2.630 -2.121 6 HG3 MET 1 HG3 MET 1 1.060 -3.068 -1.783 7 HE1 MET 1 HE1 MET 1 1.912 -4.393 -0.318 8 HE2 MET 1 HE2 MET 1 1.307 -4.415 1.338 9 HE3 MET 1 HE3 MET 1 1.079 -5.821 0.297 10 H ALA 2 H ALA 2 3.496 0.104 -2.505 11 HA ALA 2 HA ALA 2 5.118 -1.942 -1.135 12 HB1 ALA 2 HB1 ALA 2 6.572 -1.484 -3.334 13 HB2 ALA 2 HB2 ALA 2 5.306 -2.710 -3.255 14 HB3 ALA 2 HB3 ALA 2 4.966 -1.135 -3.974 15 H GLY 3 H GLY 3 6.235 -0.920 0.415 16 HA2 GLY 3 HA2 GLY 3 7.096 1.814 0.129 17 HA3 GLY 3 HA3 GLY 3 7.418 0.753 1.494 18 H PHE 4 H PHE 4 8.490 -1.301 -0.450 19 HA PHE 4 HA PHE 4 11.193 -0.815 -0.142 20 HB2 PHE 4 HB2 PHE 4 10.466 -3.031 -0.649 21 HB3 PHE 4 HB3 PHE 4 9.726 -2.513 -2.160 22 HD1 PHE 4 HD1 PHE 4 12.917 -3.156 -0.447 23 HD2 PHE 4 HD2 PHE 4 11.005 -2.290 -4.150 24 HE1 PHE 4 HE1 PHE 4 14.996 -3.702 -1.644 25 HE2 PHE 4 HE2 PHE 4 13.081 -2.836 -5.353 26 HZ PHE 4 HZ PHE 4 15.080 -3.543 -4.100 27 H LEU 5 H LEU 5 9.422 -0.581 -3.232 28 HA LEU 5 HA LEU 5 11.430 0.602 -4.722 29 HB2 LEU 5 HB2 LEU 5 8.439 0.782 -4.898 30 HB3 LEU 5 HB3 LEU 5 9.486 1.595 -6.058 31 HG LEU 5 HG LEU 5 10.045 -1.266 -5.697 32 HD11 LEU 5 HD11 LEU 5 8.094 -1.827 -7.227 33 HD12 LEU 5 HD12 LEU 5 7.393 -0.292 -6.714 34 HD13 LEU 5 HD13 LEU 5 7.722 -1.553 -5.525 35 HD21 LEU 5 HD21 LEU 5 10.460 -1.189 -7.996 36 HD22 LEU 5 HD22 LEU 5 10.999 0.383 -7.405 37 HD23 LEU 5 HD23 LEU 5 9.444 0.235 -8.225 38 H LYS 6 H LYS 6 9.339 2.002 -2.334 39 HA LYS 6 HA LYS 6 9.774 4.729 -3.088 40 HB2 LYS 6 HB2 LYS 6 7.905 3.575 -1.579 41 HB3 LYS 6 HB3 LYS 6 9.025 4.012 -0.296 42 HG2 LYS 6 HG2 LYS 6 8.971 6.360 -1.202 43 HG3 LYS 6 HG3 LYS 6 7.637 5.840 -2.235 44 HD2 LYS 6 HD2 LYS 6 6.540 6.723 -0.390 45 HD3 LYS 6 HD3 LYS 6 6.578 4.997 -0.025 46 HE2 LYS 6 HE2 LYS 6 8.847 6.664 0.918 47 HE3 LYS 6 HE3 LYS 6 7.301 6.840 1.747 48 HZ1 LYS 6 HZ1 LYS 6 7.722 4.988 2.853 49 HZ2 LYS 6 HZ2 LYS 6 9.209 4.823 2.063 50 HZ3 LYS 6 HZ3 LYS 6 7.821 4.109 1.410 51 H VAL 7 H VAL 7 11.015 2.670 -0.461 52 HA VAL 7 HA VAL 7 12.816 4.620 0.544 53 HB VAL 7 HB VAL 7 13.852 2.744 1.780 54 HG11 VAL 7 HG11 VAL 7 10.862 3.030 1.792 55 HG12 VAL 7 HG12 VAL 7 11.712 2.024 2.967 56 HG13 VAL 7 HG13 VAL 7 12.043 3.754 2.883 57 HG21 VAL 7 HG21 VAL 7 13.566 1.052 -0.011 58 HG22 VAL 7 HG22 VAL 7 13.013 0.496 1.569 59 HG23 VAL 7 HG23 VAL 7 11.841 1.007 0.355 60 H VAL 8 H VAL 8 12.980 2.318 -2.035 61 HA VAL 8 HA VAL 8 15.841 2.266 -2.235 62 HB VAL 8 HB VAL 8 13.714 1.445 -4.218 63 HG11 VAL 8 HG11 VAL 8 15.583 1.824 -5.552 64 HG12 VAL 8 HG12 VAL 8 16.705 1.277 -4.305 65 HG13 VAL 8 HG13 VAL 8 15.703 0.108 -5.165 66 HG21 VAL 8 HG21 VAL 8 13.550 -0.452 -3.074 67 HG22 VAL 8 HG22 VAL 8 15.296 -0.690 -3.138 68 HG23 VAL 8 HG23 VAL 8 14.582 0.250 -1.828 69 H GLN 9 H GLN 9 13.315 4.325 -3.387 70 HA GLN 9 HA GLN 9 14.582 5.447 -5.630 71 HB2 GLN 9 HB2 GLN 9 12.437 6.400 -3.761 72 HB3 GLN 9 HB3 GLN 9 13.072 7.472 -5.002 73 HG2 GLN 9 HG2 GLN 9 12.210 4.766 -5.842 74 HG3 GLN 9 HG3 GLN 9 10.959 5.926 -5.398 75 HE21 GLN 9 HE21 GLN 9 10.950 7.978 -6.524 76 HE22 GLN 9 HE22 GLN 9 11.508 8.050 -8.157 77 H LEU 10 H LEU 10 15.089 5.884 -2.245 78 HA LEU 10 HA LEU 10 16.406 8.425 -2.451 79 HB2 LEU 10 HB2 LEU 10 16.073 6.384 -0.288 80 HB3 LEU 10 HB3 LEU 10 17.212 7.715 -0.092 81 HG LEU 10 HG LEU 10 15.132 8.237 1.015 82 HD11 LEU 10 HD11 LEU 10 14.720 10.029 -1.229 83 HD12 LEU 10 HD12 LEU 10 16.425 9.850 -0.814 84 HD13 LEU 10 HD13 LEU 10 15.270 10.374 0.412 85 HD21 LEU 10 HD21 LEU 10 13.749 8.067 -1.651 86 HD22 LEU 10 HD22 LEU 10 13.026 8.295 -0.059 87 HD23 LEU 10 HD23 LEU 10 13.751 6.744 -0.485 88 H LEU 11 H LEU 11 17.295 5.195 -3.036 89 HA LEU 11 HA LEU 11 20.114 5.558 -2.503 90 HB2 LEU 11 HB2 LEU 11 18.431 3.336 -3.587 91 HB3 LEU 11 HB3 LEU 11 20.184 3.288 -3.762 92 HG LEU 11 HG LEU 11 19.495 1.971 -1.855 93 HD11 LEU 11 HD11 LEU 11 20.595 4.268 -0.403 94 HD12 LEU 11 HD12 LEU 11 21.479 3.825 -1.863 95 HD13 LEU 11 HD13 LEU 11 21.224 2.631 -0.590 96 HD21 LEU 11 HD21 LEU 11 17.427 3.570 -1.531 97 HD22 LEU 11 HD22 LEU 11 18.514 4.373 -0.397 98 HD23 LEU 11 HD23 LEU 11 18.108 2.670 -0.177 99 H ALA 12 H ALA 12 19.584 7.558 -4.111 100 HA ALA 12 HA ALA 12 20.545 6.695 -6.762 101 HB1 ALA 12 HB1 ALA 12 19.136 8.108 -7.841 102 HB2 ALA 12 HB2 ALA 12 18.157 7.823 -6.401 103 HB3 ALA 12 HB3 ALA 12 19.132 9.287 -6.528 104 H LYS 13 H LYS 13 20.484 9.459 -4.514 105 HA LYS 13 HA LYS 13 22.614 10.857 -5.719 106 HB2 LYS 13 HB2 LYS 13 22.648 12.208 -3.713 107 HB3 LYS 13 HB3 LYS 13 20.979 11.875 -4.158 108 HG2 LYS 13 HG2 LYS 13 22.088 9.914 -2.310 109 HG3 LYS 13 HG3 LYS 13 22.071 11.558 -1.667 110 HD2 LYS 13 HD2 LYS 13 19.659 10.341 -2.984 111 HD3 LYS 13 HD3 LYS 13 20.001 10.110 -1.267 112 HE2 LYS 13 HE2 LYS 13 20.038 12.874 -2.377 113 HE3 LYS 13 HE3 LYS 13 18.480 12.092 -2.112 114 HZ1 LYS 13 HZ1 LYS 13 20.202 13.284 -0.223 115 HZ2 LYS 13 HZ2 LYS 13 19.998 11.651 0.166 116 HZ3 LYS 13 HZ3 LYS 13 18.648 12.657 0.008 117 H TYR 14 H TYR 14 22.549 8.087 -3.714 118 HA TYR 14 HA TYR 14 25.236 8.404 -2.701 119 HB2 TYR 14 HB2 TYR 14 23.357 6.034 -2.616 120 HB3 TYR 14 HB3 TYR 14 24.896 6.137 -1.769 121 HD1 TYR 14 HD2 TYR 14 25.086 8.437 -0.325 122 HD2 TYR 14 HD1 TYR 14 21.484 6.411 -1.338 123 HE1 TYR 14 HE2 TYR 14 23.963 9.486 1.595 124 HE2 TYR 14 HE1 TYR 14 20.350 7.456 0.579 125 HH TYR 14 HH TYR 14 21.228 10.027 2.056 126 H GLY 15 H GLY 15 23.700 7.034 -5.470 127 HA2 GLY 15 HA2 GLY 15 25.142 6.658 -7.410 128 HA3 GLY 15 HA3 GLY 15 26.306 5.929 -6.314 129 H SER 16 H SER 16 26.209 4.155 -7.895 130 HA SER 16 HA SER 16 23.799 2.499 -7.669 131 HB2 SER 16 HB2 SER 16 24.422 1.441 -9.660 132 HB3 SER 16 HB3 SER 16 24.946 3.104 -9.924 133 HG SER 16 HG SER 16 26.441 0.800 -9.601 134 H LYS 17 H LYS 17 25.910 2.844 -5.580 135 HA LYS 17 HA LYS 17 26.840 0.056 -5.396 136 HB2 LYS 17 HB2 LYS 17 28.590 1.847 -5.380 137 HB3 LYS 17 HB3 LYS 17 27.887 2.458 -3.888 138 HG2 LYS 17 HG2 LYS 17 29.672 1.160 -3.172 139 HG3 LYS 17 HG3 LYS 17 28.277 0.097 -2.967 140 HD2 LYS 17 HD2 LYS 17 29.807 -1.300 -3.997 141 HD3 LYS 17 HD3 LYS 17 28.869 -0.706 -5.369 142 HE2 LYS 17 HE2 LYS 17 30.625 1.081 -5.643 143 HE3 LYS 17 HE3 LYS 17 31.588 0.208 -4.452 144 HZ1 LYS 17 HZ1 LYS 17 31.729 -1.659 -5.873 145 HZ2 LYS 17 HZ2 LYS 17 32.098 -0.312 -6.826 146 HZ3 LYS 17 HZ3 LYS 17 30.575 -1.039 -6.944 147 H ALA 18 H ALA 18 25.630 2.731 -3.377 148 HA ALA 18 HA ALA 18 25.054 1.089 -1.135 149 HB1 ALA 18 HB1 ALA 18 23.837 3.768 -1.785 150 HB2 ALA 18 HB2 ALA 18 23.980 3.011 -0.198 151 HB3 ALA 18 HB3 ALA 18 25.426 3.553 -1.050 152 H VAL 19 H VAL 19 23.403 1.713 -4.080 153 HA VAL 19 HA VAL 19 20.757 1.137 -3.163 154 HB VAL 19 HB VAL 19 21.249 2.446 -5.229 155 HG11 VAL 19 HG11 VAL 19 22.073 1.490 -7.174 156 HG12 VAL 19 HG12 VAL 19 23.060 0.731 -5.924 157 HG13 VAL 19 HG13 VAL 19 21.711 -0.151 -6.641 158 HG21 VAL 19 HG21 VAL 19 19.108 1.977 -5.597 159 HG22 VAL 19 HG22 VAL 19 19.625 0.595 -6.564 160 HG23 VAL 19 HG23 VAL 19 19.276 0.389 -4.847 161 H GLN 20 H GLN 20 23.435 -0.749 -4.371 162 HA GLN 20 HA GLN 20 22.130 -3.087 -5.122 163 HB2 GLN 20 HB2 GLN 20 24.597 -2.496 -5.372 164 HB3 GLN 20 HB3 GLN 20 24.792 -3.033 -3.709 165 HG2 GLN 20 HG2 GLN 20 23.666 -5.210 -4.539 166 HG3 GLN 20 HG3 GLN 20 24.116 -4.627 -6.141 167 HE21 GLN 20 HE21 GLN 20 25.030 -6.817 -4.142 168 HE22 GLN 20 HE22 GLN 20 26.752 -6.714 -4.228 169 H TRP 21 H TRP 21 23.261 -2.055 -1.929 170 HA TRP 21 HA TRP 21 22.766 -4.372 -0.493 171 HB2 TRP 21 HB2 TRP 21 23.887 -2.281 0.353 172 HB3 TRP 21 HB3 TRP 21 22.285 -1.571 0.534 173 HD1 TRP 21 HD1 TRP 21 24.097 -4.784 1.775 174 HE1 TRP 21 HE1 TRP 21 23.355 -5.213 4.202 175 HE3 TRP 21 HE3 TRP 21 20.800 -0.913 2.313 176 HZ2 TRP 21 HZ2 TRP 21 21.604 -4.063 6.094 177 HZ3 TRP 21 HZ3 TRP 21 19.633 -0.648 4.463 178 HH2 TRP 21 HH2 TRP 21 20.027 -2.192 6.313 179 H ALA 22 H ALA 22 20.561 -1.595 -0.899 180 HA ALA 22 HA ALA 22 18.358 -2.620 0.416 181 HB1 ALA 22 HB1 ALA 22 18.443 -0.322 -0.312 182 HB2 ALA 22 HB2 ALA 22 18.424 -0.822 -2.003 183 HB3 ALA 22 HB3 ALA 22 17.010 -1.097 -0.987 184 H TRP 23 H TRP 23 19.221 -2.975 -3.014 185 HA TRP 23 HA TRP 23 16.963 -4.508 -3.732 186 HB2 TRP 23 HB2 TRP 23 19.646 -3.996 -4.953 187 HB3 TRP 23 HB3 TRP 23 18.642 -5.284 -5.612 188 HD1 TRP 23 HD1 TRP 23 18.956 -1.514 -5.480 189 HE1 TRP 23 HE1 TRP 23 17.196 -0.462 -7.035 190 HE3 TRP 23 HE3 TRP 23 16.216 -5.695 -6.548 191 HZ2 TRP 23 HZ2 TRP 23 14.942 -1.295 -8.517 192 HZ3 TRP 23 HZ3 TRP 23 14.273 -5.482 -8.043 193 HH2 TRP 23 HH2 TRP 23 13.650 -3.326 -9.006 194 H ALA 24 H ALA 24 20.045 -5.339 -2.316 195 HA ALA 24 HA ALA 24 19.944 -8.129 -2.809 196 HB1 ALA 24 HB1 ALA 24 21.414 -7.786 -0.476 197 HB2 ALA 24 HB2 ALA 24 22.039 -7.836 -2.125 198 HB3 ALA 24 HB3 ALA 24 21.647 -6.287 -1.376 199 H ASN 25 H ASN 25 19.723 -6.599 0.397 200 HA ASN 25 HA ASN 25 18.360 -8.788 1.548 201 HB2 ASN 25 HB2 ASN 25 18.693 -5.930 2.476 202 HB3 ASN 25 HB3 ASN 25 17.952 -7.193 3.455 203 HD21 ASN 25 HD21 ASN 25 20.897 -6.008 2.049 204 HD22 ASN 25 HD22 ASN 25 21.973 -6.999 2.969 205 H LYS 26 H LYS 26 16.521 -9.283 0.379 206 HA LYS 26 HA LYS 26 14.430 -7.230 0.217 207 HB2 LYS 26 HB2 LYS 26 13.310 -8.844 -1.330 208 HB3 LYS 26 HB3 LYS 26 14.874 -8.273 -1.897 209 HG2 LYS 26 HG2 LYS 26 15.923 -10.328 -1.338 210 HG3 LYS 26 HG3 LYS 26 14.497 -10.887 -0.461 211 HD2 LYS 26 HD2 LYS 26 14.203 -10.170 -3.336 212 HD3 LYS 26 HD3 LYS 26 15.004 -11.689 -2.927 213 HE2 LYS 26 HE2 LYS 26 13.077 -12.433 -1.696 214 HE3 LYS 26 HE3 LYS 26 12.292 -10.867 -1.896 215 HZ1 LYS 26 HZ1 LYS 26 11.374 -11.683 -3.724 216 HZ2 LYS 26 HZ2 LYS 26 12.299 -13.097 -3.647 217 HZ3 LYS 26 HZ3 LYS 26 12.906 -11.731 -4.440 218 H GLY 27 H GLY 27 15.020 -8.382 2.741 219 HA2 GLY 27 HA2 GLY 27 12.402 -9.564 3.308 220 HA3 GLY 27 HA3 GLY 27 13.825 -10.471 3.798 221 H LYS 28 H LYS 28 15.502 -8.739 4.869 222 HA LYS 28 HA LYS 28 14.322 -8.111 7.366 223 HB2 LYS 28 HB2 LYS 28 16.664 -8.723 7.219 224 HB3 LYS 28 HB3 LYS 28 16.996 -7.336 6.190 225 HG2 LYS 28 HG2 LYS 28 17.773 -6.810 8.366 226 HG3 LYS 28 HG3 LYS 28 16.307 -5.865 8.091 227 HD2 LYS 28 HD2 LYS 28 15.058 -7.129 9.567 228 HD3 LYS 28 HD3 LYS 28 16.113 -8.536 9.417 229 HE2 LYS 28 HE2 LYS 28 17.002 -5.962 10.695 230 HE3 LYS 28 HE3 LYS 28 16.227 -7.258 11.605 231 HZ1 LYS 28 HZ1 LYS 28 18.921 -7.048 10.710 232 HZ2 LYS 28 HZ2 LYS 28 18.214 -8.486 10.169 233 HZ3 LYS 28 HZ3 LYS 28 18.242 -8.128 11.822 234 H ILE 29 H ILE 29 15.061 -6.228 4.504 235 HA ILE 29 HA ILE 29 14.541 -3.693 5.756 236 HB ILE 29 HB ILE 29 14.694 -4.350 2.812 237 HG12 ILE 29 HG12 ILE 29 16.837 -3.362 4.706 238 HG13 ILE 29 HG13 ILE 29 16.756 -4.969 3.994 239 HG21 ILE 29 HG21 ILE 29 14.291 -2.203 2.405 240 HG22 ILE 29 HG22 ILE 29 13.865 -2.020 4.105 241 HG23 ILE 29 HG23 ILE 29 15.514 -1.696 3.570 242 HD11 ILE 29 HD11 ILE 29 17.355 -2.358 2.662 243 HD12 ILE 29 HD12 ILE 29 18.324 -3.831 2.707 244 HD13 ILE 29 HD13 ILE 29 16.849 -3.774 1.741 245 H LEU 30 H LEU 30 12.763 -5.929 3.680 246 HA LEU 30 HA LEU 30 10.550 -4.345 3.098 247 HB2 LEU 30 HB2 LEU 30 11.042 -7.272 3.292 248 HB3 LEU 30 HB3 LEU 30 9.374 -6.713 3.176 249 HG LEU 30 HG LEU 30 10.398 -7.392 1.007 250 HD11 LEU 30 HD11 LEU 30 8.766 -6.089 0.259 251 HD12 LEU 30 HD12 LEU 30 9.922 -4.759 0.197 252 HD13 LEU 30 HD13 LEU 30 8.933 -5.001 1.637 253 HD21 LEU 30 HD21 LEU 30 12.650 -6.308 1.719 254 HD22 LEU 30 HD22 LEU 30 11.942 -4.832 1.061 255 HD23 LEU 30 HD23 LEU 30 12.150 -6.248 0.028 256 H ASP 31 H ASP 31 11.468 -5.915 6.040 257 HA ASP 31 HA ASP 31 8.871 -5.865 7.252 258 HB2 ASP 31 HB2 ASP 31 11.654 -6.433 8.205 259 HB3 ASP 31 HB3 ASP 31 10.377 -6.150 9.386 260 H TRP 32 H TRP 32 11.753 -3.817 7.382 261 HA TRP 32 HA TRP 32 11.036 -2.079 9.403 262 HB2 TRP 32 HB2 TRP 32 12.580 -1.598 6.856 263 HB3 TRP 32 HB3 TRP 32 12.400 -0.366 8.101 264 HD1 TRP 32 HD1 TRP 32 12.697 -2.694 10.494 265 HE1 TRP 32 HE1 TRP 32 15.095 -3.432 11.069 266 HE3 TRP 32 HE3 TRP 32 15.063 -1.157 6.231 267 HZ2 TRP 32 HZ2 TRP 32 17.651 -3.370 9.873 268 HZ3 TRP 32 HZ3 TRP 32 17.486 -1.533 6.025 269 HH2 TRP 32 HH2 TRP 32 18.751 -2.616 7.810 270 H LEU 33 H LEU 33 10.038 -2.069 6.019 271 HA LEU 33 HA LEU 33 8.798 0.395 5.861 272 HB2 LEU 33 HB2 LEU 33 7.815 -2.175 4.631 273 HB3 LEU 33 HB3 LEU 33 7.434 -0.542 4.089 274 HG LEU 33 HG LEU 33 10.189 -1.770 4.029 275 HD11 LEU 33 HD11 LEU 33 8.620 -2.901 2.505 276 HD12 LEU 33 HD12 LEU 33 9.873 -2.005 1.646 277 HD13 LEU 33 HD13 LEU 33 8.243 -1.344 1.767 278 HD21 LEU 33 HD21 LEU 33 9.579 0.857 4.079 279 HD22 LEU 33 HD22 LEU 33 9.476 0.541 2.347 280 HD23 LEU 33 HD23 LEU 33 10.966 0.185 3.222 281 H ASN 34 H ASN 34 7.708 -2.541 7.412 282 HA ASN 34 HA ASN 34 5.080 -1.396 7.953 283 HB2 ASN 34 HB2 ASN 34 6.140 -4.084 8.837 284 HB3 ASN 34 HB3 ASN 34 4.458 -3.565 8.770 285 HD21 ASN 34 HD21 ASN 34 6.863 -5.227 7.198 286 HD22 ASN 34 HD22 ASN 34 6.155 -5.308 5.625 287 H ALA 35 H ALA 35 8.082 -2.188 9.566 288 HA ALA 35 HA ALA 35 7.014 -1.605 12.198 289 HB1 ALA 35 HB1 ALA 35 9.934 -1.900 11.689 290 HB2 ALA 35 HB2 ALA 35 8.965 -2.448 13.057 291 HB3 ALA 35 HB3 ALA 35 8.890 -3.312 11.521 292 H GLY 36 H GLY 36 6.355 0.588 11.813 293 HA2 GLY 36 HA2 GLY 36 7.173 2.705 12.775 294 HA3 GLY 36 HA3 GLY 36 8.636 2.468 11.830 295 H GLN 37 H GLN 37 7.654 1.785 9.373 296 HA GLN 37 HA GLN 37 6.873 2.682 7.434 297 HB2 GLN 37 HB2 GLN 37 4.752 2.851 9.273 298 HB3 GLN 37 HB3 GLN 37 4.797 4.405 8.452 299 HG2 GLN 37 HG2 GLN 37 4.615 3.326 6.306 300 HG3 GLN 37 HG3 GLN 37 4.705 1.737 7.063 301 HE21 GLN 37 HE21 GLN 37 2.770 0.882 6.672 302 HE22 GLN 37 HE22 GLN 37 1.257 1.598 7.101 303 H ALA 38 H ALA 38 8.861 4.105 9.095 304 HA ALA 38 HA ALA 38 8.402 6.854 8.137 305 HB1 ALA 38 HB1 ALA 38 10.268 7.364 9.862 306 HB2 ALA 38 HB2 ALA 38 8.625 7.066 10.431 307 HB3 ALA 38 HB3 ALA 38 9.839 5.791 10.535 308 H ILE 39 H ILE 39 9.551 7.408 6.416 309 HA ILE 39 HA ILE 39 11.541 5.836 5.246 310 HB ILE 39 HB ILE 39 11.103 8.802 4.878 311 HG12 ILE 39 HG12 ILE 39 10.026 6.547 3.185 312 HG13 ILE 39 HG13 ILE 39 9.109 7.269 4.503 313 HG21 ILE 39 HG21 ILE 39 13.061 7.024 3.815 314 HG22 ILE 39 HG22 ILE 39 11.988 7.538 2.514 315 HG23 ILE 39 HG23 ILE 39 12.832 8.741 3.489 316 HD11 ILE 39 HD11 ILE 39 8.305 8.535 2.823 317 HD12 ILE 39 HD12 ILE 39 9.753 9.485 3.157 318 HD13 ILE 39 HD13 ILE 39 9.745 8.326 1.828 319 H ASP 40 H ASP 40 11.902 8.909 7.021 320 HA ASP 40 HA ASP 40 14.681 9.027 6.992 321 HB2 ASP 40 HB2 ASP 40 13.098 10.846 7.726 322 HB3 ASP 40 HB3 ASP 40 12.927 9.990 9.256 323 H TRP 41 H TRP 41 12.547 7.058 8.874 324 HA TRP 41 HA TRP 41 14.439 6.404 10.922 325 HB2 TRP 41 HB2 TRP 41 11.912 6.264 11.124 326 HB3 TRP 41 HB3 TRP 41 12.001 4.803 10.145 327 HD1 TRP 41 HD1 TRP 41 12.811 6.124 13.635 328 HE1 TRP 41 HE1 TRP 41 13.287 4.125 15.186 329 HE3 TRP 41 HE3 TRP 41 12.858 2.385 10.149 330 HZ2 TRP 41 HZ2 TRP 41 13.637 1.333 14.960 331 HZ3 TRP 41 HZ3 TRP 41 13.271 0.078 10.899 332 HH2 TRP 41 HH2 TRP 41 13.653 -0.435 13.255 333 H VAL 42 H VAL 42 13.750 5.251 7.739 334 HA VAL 42 HA VAL 42 15.235 2.774 8.144 335 HB VAL 42 HB VAL 42 13.890 3.851 5.661 336 HG11 VAL 42 HG11 VAL 42 15.428 1.352 6.224 337 HG12 VAL 42 HG12 VAL 42 14.113 1.332 5.048 338 HG13 VAL 42 HG13 VAL 42 15.488 2.412 4.817 339 HG21 VAL 42 HG21 VAL 42 12.976 1.537 7.341 340 HG22 VAL 42 HG22 VAL 42 12.457 3.189 7.676 341 HG23 VAL 42 HG23 VAL 42 12.075 2.443 6.125 342 H VAL 43 H VAL 43 15.523 5.867 6.490 343 HA VAL 43 HA VAL 43 17.803 5.318 4.954 344 HB VAL 43 HB VAL 43 17.120 7.989 6.183 345 HG11 VAL 43 HG11 VAL 43 19.068 8.473 5.161 346 HG12 VAL 43 HG12 VAL 43 18.997 7.050 4.119 347 HG13 VAL 43 HG13 VAL 43 18.072 8.495 3.706 348 HG21 VAL 43 HG21 VAL 43 15.705 6.400 4.192 349 HG22 VAL 43 HG22 VAL 43 15.177 7.826 5.086 350 HG23 VAL 43 HG23 VAL 43 16.134 8.010 3.616 351 H SER 44 H SER 44 17.468 6.550 8.259 352 HA SER 44 HA SER 44 20.192 7.048 8.733 353 HB2 SER 44 HB2 SER 44 18.760 8.016 10.303 354 HB3 SER 44 HB3 SER 44 17.826 6.534 10.510 355 HG SER 44 HG SER 44 19.219 5.849 11.947 356 H LYS 45 H LYS 45 18.469 4.125 8.431 357 HA LYS 45 HA LYS 45 20.449 2.582 9.923 358 HB2 LYS 45 HB2 LYS 45 17.891 1.767 8.536 359 HB3 LYS 45 HB3 LYS 45 18.964 0.646 9.363 360 HG2 LYS 45 HG2 LYS 45 18.606 2.340 11.361 361 HG3 LYS 45 HG3 LYS 45 17.116 2.680 10.477 362 HD2 LYS 45 HD2 LYS 45 16.472 0.973 11.905 363 HD3 LYS 45 HD3 LYS 45 16.857 0.099 10.420 364 HE2 LYS 45 HE2 LYS 45 19.030 -0.497 11.290 365 HE3 LYS 45 HE3 LYS 45 18.756 0.479 12.733 366 HZ1 LYS 45 HZ1 LYS 45 18.076 -1.455 13.599 367 HZ2 LYS 45 HZ2 LYS 45 17.804 -2.174 12.092 368 HZ3 LYS 45 HZ3 LYS 45 16.633 -1.157 12.767 369 H ILE 46 H ILE 46 20.847 4.007 7.251 370 HA ILE 46 HA ILE 46 21.700 1.675 5.669 371 HB ILE 46 HB ILE 46 21.260 4.519 4.752 372 HG12 ILE 46 HG12 ILE 46 19.651 2.016 4.202 373 HG13 ILE 46 HG13 ILE 46 19.175 3.303 5.304 374 HG21 ILE 46 HG21 ILE 46 21.332 2.782 2.566 375 HG22 ILE 46 HG22 ILE 46 22.544 3.979 3.022 376 HG23 ILE 46 HG23 ILE 46 22.694 2.314 3.585 377 HD11 ILE 46 HD11 ILE 46 19.378 3.380 2.318 378 HD12 ILE 46 HD12 ILE 46 17.980 3.706 3.343 379 HD13 ILE 46 HD13 ILE 46 19.321 4.850 3.290 380 H LYS 47 H LYS 47 22.756 4.601 7.234 381 HA LYS 47 HA LYS 47 25.431 4.434 6.115 382 HB2 LYS 47 HB2 LYS 47 25.891 6.445 7.403 383 HB3 LYS 47 HB3 LYS 47 24.388 6.633 6.509 384 HG2 LYS 47 HG2 LYS 47 24.053 5.582 9.220 385 HG3 LYS 47 HG3 LYS 47 24.724 7.212 9.141 386 HD2 LYS 47 HD2 LYS 47 22.346 6.528 7.471 387 HD3 LYS 47 HD3 LYS 47 22.130 6.837 9.196 388 HE2 LYS 47 HE2 LYS 47 21.833 8.941 8.299 389 HE3 LYS 47 HE3 LYS 47 23.547 8.967 8.713 390 HZ1 LYS 47 HZ1 LYS 47 22.983 9.833 6.456 391 HZ2 LYS 47 HZ2 LYS 47 22.540 8.262 6.015 392 HZ3 LYS 47 HZ3 LYS 47 24.136 8.595 6.466 393 H GLN 48 H GLN 48 23.714 3.291 8.849 394 HA GLN 48 HA GLN 48 26.039 2.969 10.531 395 HB2 GLN 48 HB2 GLN 48 24.543 1.952 12.117 396 HB3 GLN 48 HB3 GLN 48 23.763 3.382 11.454 397 HG2 GLN 48 HG2 GLN 48 22.498 1.918 9.910 398 HG3 GLN 48 HG3 GLN 48 23.214 0.519 10.709 399 HE21 GLN 48 HE21 GLN 48 21.945 -0.386 12.144 400 HE22 GLN 48 HE22 GLN 48 20.763 0.413 13.118 401 H ILE 49 H ILE 49 24.370 1.151 8.123 402 HA ILE 49 HA ILE 49 25.461 -1.400 8.932 403 HB ILE 49 HB ILE 49 24.078 -0.685 6.345 404 HG12 ILE 49 HG12 ILE 49 22.637 -0.199 8.266 405 HG13 ILE 49 HG13 ILE 49 22.049 -1.606 7.388 406 HG21 ILE 49 HG21 ILE 49 23.543 -3.297 6.815 407 HG22 ILE 49 HG22 ILE 49 24.867 -2.720 5.804 408 HG23 ILE 49 HG23 ILE 49 25.169 -3.163 7.484 409 HD11 ILE 49 HD11 ILE 49 21.850 -2.135 9.661 410 HD12 ILE 49 HD12 ILE 49 23.279 -3.005 9.101 411 HD13 ILE 49 HD13 ILE 49 23.460 -1.518 10.031 412 H LEU 50 H LEU 50 25.669 0.308 5.810 413 HA LEU 50 HA LEU 50 28.137 -0.985 5.155 414 HB2 LEU 50 HB2 LEU 50 27.033 1.427 3.757 415 HB3 LEU 50 HB3 LEU 50 28.013 0.122 3.093 416 HG LEU 50 HG LEU 50 25.136 -0.140 3.964 417 HD11 LEU 50 HD11 LEU 50 26.353 0.108 1.218 418 HD12 LEU 50 HD12 LEU 50 25.290 1.270 2.011 419 HD13 LEU 50 HD13 LEU 50 24.674 -0.317 1.549 420 HD21 LEU 50 HD21 LEU 50 25.966 -2.275 4.162 421 HD22 LEU 50 HD22 LEU 50 27.172 -2.042 2.897 422 HD23 LEU 50 HD23 LEU 50 25.474 -2.258 2.469 423 H GLY 51 H GLY 51 27.331 2.480 5.508 424 HA2 GLY 51 HA2 GLY 51 28.746 3.698 7.184 425 HA3 GLY 51 HA3 GLY 51 30.112 2.902 6.417 426 H ILE 52 H ILE 52 27.297 4.345 4.839 427 HA ILE 52 HA ILE 52 28.918 5.745 2.970 428 HB ILE 52 HB ILE 52 26.639 4.974 2.432 429 HG12 ILE 52 HG12 ILE 52 25.851 7.183 1.411 430 HG13 ILE 52 HG13 ILE 52 27.238 7.922 2.203 431 HG21 ILE 52 HG21 ILE 52 25.192 7.175 3.602 432 HG22 ILE 52 HG22 ILE 52 24.870 5.444 3.691 433 HG23 ILE 52 HG23 ILE 52 25.970 6.197 4.846 434 HD11 ILE 52 HD11 ILE 52 27.642 5.552 0.445 435 HD12 ILE 52 HD12 ILE 52 27.399 7.148 -0.268 436 HD13 ILE 52 HD13 ILE 52 28.748 6.870 0.833 437 H LYS 53 H LYS 53 29.558 7.837 2.893 438 HA LYS 53 HA LYS 53 29.788 9.303 5.285 439 HB2 LYS 53 HB2 LYS 53 30.259 9.982 2.393 440 HB3 LYS 53 HB3 LYS 53 30.454 11.192 3.654 441 HG2 LYS 53 HG2 LYS 53 32.122 9.761 4.749 442 HG3 LYS 53 HG3 LYS 53 31.946 8.584 3.445 443 HD2 LYS 53 HD2 LYS 53 32.571 11.406 2.733 444 HD3 LYS 53 HD3 LYS 53 33.858 10.407 3.412 445 HE2 LYS 53 HE2 LYS 53 33.093 8.676 1.633 446 HE3 LYS 53 HE3 LYS 53 32.341 10.067 0.855 447 HZ1 LYS 53 HZ1 LYS 53 35.136 9.364 1.075 448 HZ2 LYS 53 HZ2 LYS 53 34.800 10.995 1.369 449 HZ3 LYS 53 HZ3 LYS 53 34.341 10.288 -0.098 Start of MODEL 18 1 H1 MET 1 H MET 1 0.264 -1.422 -1.949 2 HA MET 1 HA MET 1 1.482 1.078 -2.622 3 HB2 MET 1 HB2 MET 1 0.810 0.517 0.270 4 HB3 MET 1 HB3 MET 1 1.952 1.746 -0.257 5 HG2 MET 1 HG2 MET 1 0.249 3.006 -1.311 6 HG3 MET 1 HG3 MET 1 -0.917 1.696 -1.140 7 HE1 MET 1 HE1 MET 1 -2.645 2.838 -0.339 8 HE2 MET 1 HE2 MET 1 -2.919 3.276 1.348 9 HE3 MET 1 HE3 MET 1 -2.257 4.464 0.224 10 H ALA 2 H ALA 2 3.695 1.224 -1.371 11 HA ALA 2 HA ALA 2 4.881 -1.173 -0.444 12 HB1 ALA 2 HB1 ALA 2 6.481 -1.347 -2.466 13 HB2 ALA 2 HB2 ALA 2 4.876 -2.069 -2.584 14 HB3 ALA 2 HB3 ALA 2 5.200 -0.512 -3.346 15 H GLY 3 H GLY 3 6.354 -0.440 0.933 16 HA2 GLY 3 HA2 GLY 3 7.477 2.215 0.595 17 HA3 GLY 3 HA3 GLY 3 7.679 1.164 1.989 18 H PHE 4 H PHE 4 8.550 -1.117 0.389 19 HA PHE 4 HA PHE 4 11.295 -0.789 0.514 20 HB2 PHE 4 HB2 PHE 4 10.436 -3.002 0.452 21 HB3 PHE 4 HB3 PHE 4 9.598 -2.714 -1.069 22 HD1 PHE 4 HD1 PHE 4 12.821 -3.418 0.506 23 HD2 PHE 4 HD2 PHE 4 10.775 -2.780 -3.172 24 HE1 PHE 4 HE1 PHE 4 14.756 -4.312 -0.722 25 HE2 PHE 4 HE2 PHE 4 12.707 -3.674 -4.405 26 HZ PHE 4 HZ PHE 4 14.700 -4.442 -3.181 27 H LEU 5 H LEU 5 9.101 -0.250 -2.187 28 HA LEU 5 HA LEU 5 11.221 0.289 -4.057 29 HB2 LEU 5 HB2 LEU 5 8.234 0.493 -4.136 30 HB3 LEU 5 HB3 LEU 5 9.219 1.181 -5.426 31 HG LEU 5 HG LEU 5 9.847 -1.613 -4.803 32 HD11 LEU 5 HD11 LEU 5 7.779 -2.318 -6.168 33 HD12 LEU 5 HD12 LEU 5 7.089 -0.789 -5.627 34 HD13 LEU 5 HD13 LEU 5 7.586 -1.999 -4.444 35 HD21 LEU 5 HD21 LEU 5 10.291 -1.719 -7.034 36 HD22 LEU 5 HD22 LEU 5 10.465 0.020 -6.797 37 HD23 LEU 5 HD23 LEU 5 8.969 -0.634 -7.465 38 H LYS 6 H LYS 6 9.338 2.100 -1.795 39 HA LYS 6 HA LYS 6 9.853 4.668 -2.988 40 HB2 LYS 6 HB2 LYS 6 7.936 3.846 -1.325 41 HB3 LYS 6 HB3 LYS 6 9.082 4.425 -0.123 42 HG2 LYS 6 HG2 LYS 6 9.135 6.596 -1.437 43 HG3 LYS 6 HG3 LYS 6 7.723 5.980 -2.300 44 HD2 LYS 6 HD2 LYS 6 6.371 6.092 -0.438 45 HD3 LYS 6 HD3 LYS 6 7.727 5.964 0.685 46 HE2 LYS 6 HE2 LYS 6 6.875 8.196 0.799 47 HE3 LYS 6 HE3 LYS 6 8.434 8.248 -0.022 48 HZ1 LYS 6 HZ1 LYS 6 5.986 9.199 -0.944 49 HZ2 LYS 6 HZ2 LYS 6 6.400 7.888 -1.929 50 HZ3 LYS 6 HZ3 LYS 6 7.468 9.189 -1.759 51 H VAL 7 H VAL 7 11.494 2.545 -0.842 52 HA VAL 7 HA VAL 7 13.221 4.652 0.202 53 HB VAL 7 HB VAL 7 14.264 2.881 1.543 54 HG11 VAL 7 HG11 VAL 7 11.441 3.595 1.639 55 HG12 VAL 7 HG12 VAL 7 11.806 2.088 2.481 56 HG13 VAL 7 HG13 VAL 7 12.649 3.572 2.924 57 HG21 VAL 7 HG21 VAL 7 13.922 1.082 -0.169 58 HG22 VAL 7 HG22 VAL 7 13.528 0.612 1.485 59 HG23 VAL 7 HG23 VAL 7 12.237 0.999 0.347 60 H VAL 8 H VAL 8 13.070 3.091 -2.613 61 HA VAL 8 HA VAL 8 15.948 2.572 -2.850 62 HB VAL 8 HB VAL 8 13.683 1.907 -4.737 63 HG11 VAL 8 HG11 VAL 8 15.316 1.941 -6.280 64 HG12 VAL 8 HG12 VAL 8 16.600 1.902 -5.071 65 HG13 VAL 8 HG13 VAL 8 15.794 0.408 -5.552 66 HG21 VAL 8 HG21 VAL 8 13.495 -0.049 -3.689 67 HG22 VAL 8 HG22 VAL 8 15.240 -0.302 -3.702 68 HG23 VAL 8 HG23 VAL 8 14.494 0.632 -2.406 69 H GLN 9 H GLN 9 13.428 4.721 -3.901 70 HA GLN 9 HA GLN 9 14.720 5.855 -6.135 71 HB2 GLN 9 HB2 GLN 9 13.173 7.794 -5.724 72 HB3 GLN 9 HB3 GLN 9 12.380 6.231 -5.863 73 HG2 GLN 9 HG2 GLN 9 11.786 6.175 -3.657 74 HG3 GLN 9 HG3 GLN 9 13.120 7.214 -3.158 75 HE21 GLN 9 HE21 GLN 9 12.982 9.492 -3.915 76 HE22 GLN 9 HE22 GLN 9 11.424 10.240 -3.921 77 H LEU 10 H LEU 10 15.087 6.333 -2.718 78 HA LEU 10 HA LEU 10 16.438 8.850 -2.896 79 HB2 LEU 10 HB2 LEU 10 16.559 6.860 -0.641 80 HB3 LEU 10 HB3 LEU 10 16.889 8.590 -0.563 81 HG LEU 10 HG LEU 10 14.211 7.256 -0.938 82 HD11 LEU 10 HD11 LEU 10 15.513 8.790 1.287 83 HD12 LEU 10 HD12 LEU 10 14.766 7.194 1.333 84 HD13 LEU 10 HD13 LEU 10 13.761 8.633 1.163 85 HD21 LEU 10 HD21 LEU 10 13.265 9.499 -0.991 86 HD22 LEU 10 HD22 LEU 10 14.369 9.253 -2.344 87 HD23 LEU 10 HD23 LEU 10 14.884 10.197 -0.945 88 H LEU 11 H LEU 11 17.338 5.622 -3.460 89 HA LEU 11 HA LEU 11 20.142 5.984 -2.845 90 HB2 LEU 11 HB2 LEU 11 18.486 3.756 -3.956 91 HB3 LEU 11 HB3 LEU 11 20.242 3.707 -4.093 92 HG LEU 11 HG LEU 11 19.509 2.401 -2.193 93 HD11 LEU 11 HD11 LEU 11 21.064 3.173 -0.683 94 HD12 LEU 11 HD12 LEU 11 20.650 4.865 -0.954 95 HD13 LEU 11 HD13 LEU 11 21.582 3.981 -2.162 96 HD21 LEU 11 HD21 LEU 11 17.438 4.003 -1.921 97 HD22 LEU 11 HD22 LEU 11 18.503 4.817 -0.775 98 HD23 LEU 11 HD23 LEU 11 18.093 3.117 -0.544 99 H ALA 12 H ALA 12 19.648 7.974 -4.482 100 HA ALA 12 HA ALA 12 20.690 7.096 -7.097 101 HB1 ALA 12 HB1 ALA 12 19.088 8.214 -8.150 102 HB2 ALA 12 HB2 ALA 12 18.316 8.484 -6.587 103 HB3 ALA 12 HB3 ALA 12 19.438 9.680 -7.234 104 H LYS 13 H LYS 13 20.763 9.549 -4.571 105 HA LYS 13 HA LYS 13 22.757 11.173 -5.782 106 HB2 LYS 13 HB2 LYS 13 22.899 12.289 -3.638 107 HB3 LYS 13 HB3 LYS 13 21.211 11.986 -4.027 108 HG2 LYS 13 HG2 LYS 13 22.440 9.846 -2.475 109 HG3 LYS 13 HG3 LYS 13 22.435 11.407 -1.651 110 HD2 LYS 13 HD2 LYS 13 19.964 10.351 -2.984 111 HD3 LYS 13 HD3 LYS 13 20.404 9.847 -1.350 112 HE2 LYS 13 HE2 LYS 13 19.113 11.647 -0.830 113 HE3 LYS 13 HE3 LYS 13 20.661 12.469 -1.025 114 HZ1 LYS 13 HZ1 LYS 13 19.240 12.216 -3.494 115 HZ2 LYS 13 HZ2 LYS 13 19.900 13.594 -2.768 116 HZ3 LYS 13 HZ3 LYS 13 18.350 13.071 -2.337 117 H TYR 14 H TYR 14 22.850 8.197 -4.100 118 HA TYR 14 HA TYR 14 25.617 8.465 -3.273 119 HB2 TYR 14 HB2 TYR 14 23.811 6.040 -3.193 120 HB3 TYR 14 HB3 TYR 14 25.366 6.208 -2.385 121 HD1 TYR 14 HD2 TYR 14 25.536 8.243 -0.721 122 HD2 TYR 14 HD1 TYR 14 21.880 6.481 -1.997 123 HE1 TYR 14 HE2 TYR 14 24.409 9.156 1.266 124 HE2 TYR 14 HE1 TYR 14 20.743 7.390 -0.015 125 HH TYR 14 HH TYR 14 22.477 8.825 2.602 126 H GLY 15 H GLY 15 23.740 6.641 -5.667 127 HA2 GLY 15 HA2 GLY 15 25.052 6.596 -7.870 128 HA3 GLY 15 HA3 GLY 15 26.271 5.776 -6.906 129 H SER 16 H SER 16 26.256 3.813 -7.894 130 HA SER 16 HA SER 16 23.702 2.341 -7.862 131 HB2 SER 16 HB2 SER 16 26.050 1.754 -9.672 132 HB3 SER 16 HB3 SER 16 24.416 1.100 -9.780 133 HG SER 16 HG SER 16 24.912 2.856 -11.264 134 H LYS 17 H LYS 17 25.746 2.624 -5.737 135 HA LYS 17 HA LYS 17 26.622 -0.179 -5.521 136 HB2 LYS 17 HB2 LYS 17 28.372 1.648 -5.446 137 HB3 LYS 17 HB3 LYS 17 27.658 2.163 -3.923 138 HG2 LYS 17 HG2 LYS 17 29.438 0.828 -3.272 139 HG3 LYS 17 HG3 LYS 17 28.048 -0.255 -3.154 140 HD2 LYS 17 HD2 LYS 17 28.606 -1.096 -5.438 141 HD3 LYS 17 HD3 LYS 17 30.078 -0.125 -5.381 142 HE2 LYS 17 HE2 LYS 17 30.710 -1.349 -3.297 143 HE3 LYS 17 HE3 LYS 17 29.318 -2.400 -3.556 144 HZ1 LYS 17 HZ1 LYS 17 31.598 -3.148 -4.415 145 HZ2 LYS 17 HZ2 LYS 17 31.343 -2.044 -5.670 146 HZ3 LYS 17 HZ3 LYS 17 30.262 -3.325 -5.438 147 H ALA 18 H ALA 18 25.637 2.493 -3.368 148 HA ALA 18 HA ALA 18 24.894 0.880 -1.206 149 HB1 ALA 18 HB1 ALA 18 23.646 3.539 -1.853 150 HB2 ALA 18 HB2 ALA 18 23.895 2.807 -0.267 151 HB3 ALA 18 HB3 ALA 18 25.278 3.376 -1.203 152 H VAL 19 H VAL 19 23.256 1.606 -4.161 153 HA VAL 19 HA VAL 19 20.613 0.988 -3.273 154 HB VAL 19 HB VAL 19 21.111 2.366 -5.293 155 HG11 VAL 19 HG11 VAL 19 22.950 0.942 -6.144 156 HG12 VAL 19 HG12 VAL 19 21.757 -0.280 -6.589 157 HG13 VAL 19 HG13 VAL 19 21.731 1.304 -7.365 158 HG21 VAL 19 HG21 VAL 19 18.965 1.907 -5.655 159 HG22 VAL 19 HG22 VAL 19 19.486 0.587 -6.703 160 HG23 VAL 19 HG23 VAL 19 19.144 0.278 -5.001 161 H GLN 20 H GLN 20 23.303 -0.861 -4.494 162 HA GLN 20 HA GLN 20 21.964 -3.178 -5.314 163 HB2 GLN 20 HB2 GLN 20 24.509 -2.434 -5.429 164 HB3 GLN 20 HB3 GLN 20 24.617 -3.413 -3.972 165 HG2 GLN 20 HG2 GLN 20 23.505 -5.259 -5.313 166 HG3 GLN 20 HG3 GLN 20 23.834 -4.270 -6.736 167 HE21 GLN 20 HE21 GLN 20 25.130 -6.381 -4.369 168 HE22 GLN 20 HE22 GLN 20 26.744 -6.442 -4.982 169 H TRP 21 H TRP 21 23.090 -2.150 -2.134 170 HA TRP 21 HA TRP 21 22.758 -4.503 -0.710 171 HB2 TRP 21 HB2 TRP 21 23.700 -2.267 0.096 172 HB3 TRP 21 HB3 TRP 21 22.030 -1.795 0.399 173 HD1 TRP 21 HD1 TRP 21 24.325 -4.779 1.388 174 HE1 TRP 21 HE1 TRP 21 23.814 -5.381 3.838 175 HE3 TRP 21 HE3 TRP 21 20.613 -1.385 2.301 176 HZ2 TRP 21 HZ2 TRP 21 22.068 -4.531 5.886 177 HZ3 TRP 21 HZ3 TRP 21 19.574 -1.345 4.531 178 HH2 TRP 21 HH2 TRP 21 20.287 -2.886 6.285 179 H ALA 22 H ALA 22 20.376 -1.850 -0.901 180 HA ALA 22 HA ALA 22 18.263 -3.122 0.334 181 HB1 ALA 22 HB1 ALA 22 18.186 -0.772 -0.189 182 HB2 ALA 22 HB2 ALA 22 18.181 -1.119 -1.918 183 HB3 ALA 22 HB3 ALA 22 16.798 -1.575 -0.924 184 H TRP 23 H TRP 23 18.861 -2.959 -3.181 185 HA TRP 23 HA TRP 23 16.772 -4.549 -4.034 186 HB2 TRP 23 HB2 TRP 23 19.471 -3.904 -5.121 187 HB3 TRP 23 HB3 TRP 23 18.577 -5.221 -5.875 188 HD1 TRP 23 HD1 TRP 23 18.884 -1.518 -5.894 189 HE1 TRP 23 HE1 TRP 23 17.052 -0.480 -7.374 190 HE3 TRP 23 HE3 TRP 23 15.918 -5.635 -6.521 191 HZ2 TRP 23 HZ2 TRP 23 14.665 -1.298 -8.640 192 HZ3 TRP 23 HZ3 TRP 23 13.878 -5.423 -7.880 193 HH2 TRP 23 HH2 TRP 23 13.266 -3.298 -8.917 194 H ALA 24 H ALA 24 20.044 -5.572 -3.090 195 HA ALA 24 HA ALA 24 19.756 -8.303 -3.585 196 HB1 ALA 24 HB1 ALA 24 21.919 -8.016 -3.107 197 HB2 ALA 24 HB2 ALA 24 21.602 -6.601 -2.103 198 HB3 ALA 24 HB3 ALA 24 21.439 -8.219 -1.422 199 H ASN 25 H ASN 25 19.882 -6.984 -0.285 200 HA ASN 25 HA ASN 25 18.666 -9.148 0.951 201 HB2 ASN 25 HB2 ASN 25 18.976 -6.260 1.708 202 HB3 ASN 25 HB3 ASN 25 18.039 -7.343 2.733 203 HD21 ASN 25 HD21 ASN 25 21.151 -6.354 1.741 204 HD22 ASN 25 HD22 ASN 25 22.063 -7.425 2.745 205 H LYS 26 H LYS 26 16.725 -9.965 0.551 206 HA LYS 26 HA LYS 26 14.493 -8.110 0.042 207 HB2 LYS 26 HB2 LYS 26 13.412 -9.953 -1.178 208 HB3 LYS 26 HB3 LYS 26 14.967 -9.528 -1.882 209 HG2 LYS 26 HG2 LYS 26 15.927 -11.443 -0.503 210 HG3 LYS 26 HG3 LYS 26 14.252 -11.940 -0.251 211 HD2 LYS 26 HD2 LYS 26 14.849 -13.170 -2.118 212 HD3 LYS 26 HD3 LYS 26 14.085 -11.752 -2.840 213 HE2 LYS 26 HE2 LYS 26 15.990 -11.838 -4.093 214 HE3 LYS 26 HE3 LYS 26 16.559 -10.826 -2.766 215 HZ1 LYS 26 HZ1 LYS 26 17.247 -13.069 -1.732 216 HZ2 LYS 26 HZ2 LYS 26 18.210 -12.401 -2.951 217 HZ3 LYS 26 HZ3 LYS 26 17.140 -13.660 -3.314 218 H GLY 27 H GLY 27 15.283 -8.677 2.666 219 HA2 GLY 27 HA2 GLY 27 12.810 -9.758 3.691 220 HA3 GLY 27 HA3 GLY 27 14.215 -10.753 4.044 221 H LYS 28 H LYS 28 16.143 -8.857 4.536 222 HA LYS 28 HA LYS 28 15.684 -8.202 7.210 223 HB2 LYS 28 HB2 LYS 28 17.688 -7.099 5.238 224 HB3 LYS 28 HB3 LYS 28 17.716 -6.737 6.958 225 HG2 LYS 28 HG2 LYS 28 17.621 -9.595 6.282 226 HG3 LYS 28 HG3 LYS 28 19.092 -8.747 5.800 227 HD2 LYS 28 HD2 LYS 28 19.456 -9.607 7.992 228 HD3 LYS 28 HD3 LYS 28 19.236 -7.862 8.145 229 HE2 LYS 28 HE2 LYS 28 16.841 -9.604 8.394 230 HE3 LYS 28 HE3 LYS 28 17.989 -9.581 9.731 231 HZ1 LYS 28 HZ1 LYS 28 17.145 -7.663 10.395 232 HZ2 LYS 28 HZ2 LYS 28 16.007 -7.714 9.145 233 HZ3 LYS 28 HZ3 LYS 28 17.494 -6.942 8.905 234 H ILE 29 H ILE 29 16.270 -5.761 4.686 235 HA ILE 29 HA ILE 29 15.219 -3.606 6.070 236 HB ILE 29 HB ILE 29 15.187 -3.989 3.074 237 HG12 ILE 29 HG12 ILE 29 17.302 -2.795 4.880 238 HG13 ILE 29 HG13 ILE 29 17.424 -4.330 4.027 239 HG21 ILE 29 HG21 ILE 29 14.291 -1.964 2.949 240 HG22 ILE 29 HG22 ILE 29 14.200 -1.896 4.708 241 HG23 ILE 29 HG23 ILE 29 15.636 -1.300 3.876 242 HD11 ILE 29 HD11 ILE 29 18.575 -3.031 2.581 243 HD12 ILE 29 HD12 ILE 29 16.954 -2.753 1.943 244 HD13 ILE 29 HD13 ILE 29 17.695 -1.567 3.018 245 H LEU 30 H LEU 30 13.587 -6.020 4.122 246 HA LEU 30 HA LEU 30 11.135 -4.802 3.704 247 HB2 LEU 30 HB2 LEU 30 12.013 -7.631 4.040 248 HB3 LEU 30 HB3 LEU 30 10.288 -7.274 3.987 249 HG LEU 30 HG LEU 30 11.085 -7.960 1.804 250 HD11 LEU 30 HD11 LEU 30 9.912 -6.407 0.631 251 HD12 LEU 30 HD12 LEU 30 10.712 -5.044 1.415 252 HD13 LEU 30 HD13 LEU 30 9.443 -5.928 2.263 253 HD21 LEU 30 HD21 LEU 30 13.443 -6.989 2.329 254 HD22 LEU 30 HD22 LEU 30 12.794 -5.517 1.605 255 HD23 LEU 30 HD23 LEU 30 12.853 -7.010 0.667 256 H ASP 31 H ASP 31 12.464 -6.198 6.609 257 HA ASP 31 HA ASP 31 10.024 -6.373 8.060 258 HB2 ASP 31 HB2 ASP 31 12.919 -6.313 8.904 259 HB3 ASP 31 HB3 ASP 31 11.601 -6.429 10.067 260 H TRP 32 H TRP 32 12.573 -3.925 7.848 261 HA TRP 32 HA TRP 32 11.736 -2.183 9.821 262 HB2 TRP 32 HB2 TRP 32 13.077 -1.695 7.168 263 HB3 TRP 32 HB3 TRP 32 12.735 -0.379 8.287 264 HD1 TRP 32 HD1 TRP 32 13.476 -2.301 10.909 265 HE1 TRP 32 HE1 TRP 32 15.976 -2.607 11.439 266 HE3 TRP 32 HE3 TRP 32 15.433 -1.015 6.364 267 HZ2 TRP 32 HZ2 TRP 32 18.450 -2.338 10.107 268 HZ3 TRP 32 HZ3 TRP 32 17.876 -1.065 6.075 269 HH2 TRP 32 HH2 TRP 32 19.351 -1.712 7.910 270 H LEU 33 H LEU 33 10.405 -2.723 6.636 271 HA LEU 33 HA LEU 33 8.879 -0.423 6.310 272 HB2 LEU 33 HB2 LEU 33 8.314 -3.261 5.473 273 HB3 LEU 33 HB3 LEU 33 7.372 -1.872 4.935 274 HG LEU 33 HG LEU 33 10.288 -2.385 4.351 275 HD11 LEU 33 HD11 LEU 33 7.757 -2.776 2.822 276 HD12 LEU 33 HD12 LEU 33 9.179 -3.813 2.932 277 HD13 LEU 33 HD13 LEU 33 9.235 -2.340 1.963 278 HD21 LEU 33 HD21 LEU 33 8.493 -0.047 3.851 279 HD22 LEU 33 HD22 LEU 33 9.793 -0.425 2.721 280 HD23 LEU 33 HD23 LEU 33 10.165 -0.078 4.410 281 H ASN 34 H ASN 34 8.425 -3.121 8.434 282 HA ASN 34 HA ASN 34 5.695 -2.289 9.077 283 HB2 ASN 34 HB2 ASN 34 7.310 -4.686 9.972 284 HB3 ASN 34 HB3 ASN 34 5.654 -4.354 10.471 285 HD21 ASN 34 HD21 ASN 34 7.703 -4.996 7.685 286 HD22 ASN 34 HD22 ASN 34 6.463 -5.695 6.705 287 H ALA 35 H ALA 35 8.127 -0.733 9.784 288 HA ALA 35 HA ALA 35 8.208 -0.947 12.692 289 HB1 ALA 35 HB1 ALA 35 10.253 -0.580 11.181 290 HB2 ALA 35 HB2 ALA 35 9.699 1.091 11.078 291 HB3 ALA 35 HB3 ALA 35 10.112 0.394 12.645 292 H GLY 36 H GLY 36 7.747 1.693 10.325 293 HA2 GLY 36 HA2 GLY 36 5.515 2.716 11.872 294 HA3 GLY 36 HA3 GLY 36 6.942 3.742 11.862 295 H GLN 37 H GLN 37 6.347 1.851 9.051 296 HA GLN 37 HA GLN 37 5.936 2.451 6.892 297 HB2 GLN 37 HB2 GLN 37 3.820 4.027 8.352 298 HB3 GLN 37 HB3 GLN 37 3.896 3.932 6.598 299 HG2 GLN 37 HG2 GLN 37 3.793 1.460 8.283 300 HG3 GLN 37 HG3 GLN 37 2.328 2.337 7.843 301 HE21 GLN 37 HE21 GLN 37 3.462 -0.355 7.114 302 HE22 GLN 37 HE22 GLN 37 3.389 -0.396 5.388 303 H ALA 38 H ALA 38 8.050 3.858 8.078 304 HA ALA 38 HA ALA 38 7.825 6.466 6.722 305 HB1 ALA 38 HB1 ALA 38 9.255 7.459 8.366 306 HB2 ALA 38 HB2 ALA 38 7.930 6.650 9.202 307 HB3 ALA 38 HB3 ALA 38 9.524 5.899 9.145 308 H ILE 39 H ILE 39 9.877 7.326 5.904 309 HA ILE 39 HA ILE 39 11.563 5.154 4.876 310 HB ILE 39 HB ILE 39 11.273 7.989 3.873 311 HG12 ILE 39 HG12 ILE 39 10.346 6.499 1.862 312 HG13 ILE 39 HG13 ILE 39 9.949 5.409 3.186 313 HG21 ILE 39 HG21 ILE 39 12.385 6.569 1.844 314 HG22 ILE 39 HG22 ILE 39 13.290 7.556 2.990 315 HG23 ILE 39 HG23 ILE 39 13.143 5.818 3.248 316 HD11 ILE 39 HD11 ILE 39 8.548 7.701 2.287 317 HD12 ILE 39 HD12 ILE 39 8.125 6.584 3.585 318 HD13 ILE 39 HD13 ILE 39 9.111 8.005 3.930 319 H ASP 40 H ASP 40 11.795 8.429 6.236 320 HA ASP 40 HA ASP 40 14.567 8.619 6.374 321 HB2 ASP 40 HB2 ASP 40 12.332 9.851 7.949 322 HB3 ASP 40 HB3 ASP 40 14.002 10.126 8.437 323 H TRP 41 H TRP 41 12.351 6.799 8.312 324 HA TRP 41 HA TRP 41 14.116 6.403 10.532 325 HB2 TRP 41 HB2 TRP 41 11.622 6.222 10.668 326 HB3 TRP 41 HB3 TRP 41 11.724 4.736 9.727 327 HD1 TRP 41 HD1 TRP 41 12.454 6.134 13.209 328 HE1 TRP 41 HE1 TRP 41 12.835 4.166 14.824 329 HE3 TRP 41 HE3 TRP 41 12.508 2.304 9.823 330 HZ2 TRP 41 HZ2 TRP 41 13.121 1.362 14.682 331 HZ3 TRP 41 HZ3 TRP 41 12.841 0.008 10.645 332 HH2 TRP 41 HH2 TRP 41 13.142 -0.451 13.024 333 H VAL 42 H VAL 42 13.675 4.923 7.443 334 HA VAL 42 HA VAL 42 15.179 2.540 8.194 335 HB VAL 42 HB VAL 42 13.987 3.324 5.531 336 HG11 VAL 42 HG11 VAL 42 15.785 1.175 6.340 337 HG12 VAL 42 HG12 VAL 42 14.326 0.600 5.530 338 HG13 VAL 42 HG13 VAL 42 15.379 1.768 4.730 339 HG21 VAL 42 HG21 VAL 42 12.990 1.686 7.827 340 HG22 VAL 42 HG22 VAL 42 12.150 2.917 6.884 341 HG23 VAL 42 HG23 VAL 42 12.459 1.329 6.183 342 H VAL 43 H VAL 43 15.502 5.442 6.222 343 HA VAL 43 HA VAL 43 17.895 4.812 4.915 344 HB VAL 43 HB VAL 43 17.077 7.573 5.815 345 HG11 VAL 43 HG11 VAL 43 18.791 8.308 4.610 346 HG12 VAL 43 HG12 VAL 43 19.308 6.634 4.399 347 HG13 VAL 43 HG13 VAL 43 18.253 7.390 3.204 348 HG21 VAL 43 HG21 VAL 43 15.830 5.752 3.911 349 HG22 VAL 43 HG22 VAL 43 15.211 7.240 4.626 350 HG23 VAL 43 HG23 VAL 43 16.255 7.312 3.207 351 H SER 44 H SER 44 17.306 6.323 8.060 352 HA SER 44 HA SER 44 19.944 7.015 8.676 353 HB2 SER 44 HB2 SER 44 19.214 7.285 10.918 354 HB3 SER 44 HB3 SER 44 17.806 7.659 9.923 355 HG SER 44 HG SER 44 17.513 6.178 11.787 356 H LYS 45 H LYS 45 18.406 3.950 8.544 357 HA LYS 45 HA LYS 45 20.485 2.663 10.144 358 HB2 LYS 45 HB2 LYS 45 17.821 1.834 9.080 359 HB3 LYS 45 HB3 LYS 45 19.018 0.586 9.401 360 HG2 LYS 45 HG2 LYS 45 17.883 0.652 11.391 361 HG3 LYS 45 HG3 LYS 45 19.215 1.764 11.718 362 HD2 LYS 45 HD2 LYS 45 17.546 3.564 10.818 363 HD3 LYS 45 HD3 LYS 45 16.328 2.350 11.215 364 HE2 LYS 45 HE2 LYS 45 18.388 3.464 13.118 365 HE3 LYS 45 HE3 LYS 45 16.690 3.935 13.056 366 HZ1 LYS 45 HZ1 LYS 45 16.053 1.716 13.668 367 HZ2 LYS 45 HZ2 LYS 45 17.167 2.296 14.801 368 HZ3 LYS 45 HZ3 LYS 45 17.659 1.186 13.623 369 H ILE 46 H ILE 46 20.896 3.898 7.434 370 HA ILE 46 HA ILE 46 21.901 1.497 6.050 371 HB ILE 46 HB ILE 46 21.276 4.143 4.745 372 HG12 ILE 46 HG12 ILE 46 19.203 3.202 5.610 373 HG13 ILE 46 HG13 ILE 46 19.248 3.032 3.859 374 HG21 ILE 46 HG21 ILE 46 21.926 1.405 3.673 375 HG22 ILE 46 HG22 ILE 46 21.317 2.730 2.682 376 HG23 ILE 46 HG23 ILE 46 22.873 2.882 3.499 377 HD11 ILE 46 HD11 ILE 46 19.840 0.870 5.865 378 HD12 ILE 46 HD12 ILE 46 18.371 1.033 4.902 379 HD13 ILE 46 HD13 ILE 46 19.911 0.693 4.112 380 H LYS 47 H LYS 47 22.651 4.611 7.357 381 HA LYS 47 HA LYS 47 25.232 4.824 6.097 382 HB2 LYS 47 HB2 LYS 47 23.861 6.370 8.292 383 HB3 LYS 47 HB3 LYS 47 25.519 6.700 7.807 384 HG2 LYS 47 HG2 LYS 47 24.462 8.214 6.498 385 HG3 LYS 47 HG3 LYS 47 24.393 6.826 5.410 386 HD2 LYS 47 HD2 LYS 47 22.210 7.592 5.365 387 HD3 LYS 47 HD3 LYS 47 22.136 6.333 6.600 388 HE2 LYS 47 HE2 LYS 47 21.949 7.849 8.322 389 HE3 LYS 47 HE3 LYS 47 22.746 9.135 7.418 390 HZ1 LYS 47 HZ1 LYS 47 20.001 8.110 6.931 391 HZ2 LYS 47 HZ2 LYS 47 20.765 9.323 6.033 392 HZ3 LYS 47 HZ3 LYS 47 20.395 9.583 7.663 393 H GLN 48 H GLN 48 23.976 3.113 8.725 394 HA GLN 48 HA GLN 48 26.559 2.979 10.099 395 HB2 GLN 48 HB2 GLN 48 25.402 1.996 11.940 396 HB3 GLN 48 HB3 GLN 48 24.442 3.366 11.397 397 HG2 GLN 48 HG2 GLN 48 23.100 1.674 10.046 398 HG3 GLN 48 HG3 GLN 48 23.905 0.443 11.018 399 HE21 GLN 48 HE21 GLN 48 22.610 -0.258 12.545 400 HE22 GLN 48 HE22 GLN 48 21.546 0.705 13.506 401 H ILE 49 H ILE 49 24.461 1.159 8.046 402 HA ILE 49 HA ILE 49 25.614 -1.406 8.623 403 HB ILE 49 HB ILE 49 23.926 -0.535 6.274 404 HG12 ILE 49 HG12 ILE 49 22.757 -0.276 8.406 405 HG13 ILE 49 HG13 ILE 49 22.081 -1.622 7.495 406 HG21 ILE 49 HG21 ILE 49 23.666 -3.295 6.846 407 HG22 ILE 49 HG22 ILE 49 24.314 -2.533 5.395 408 HG23 ILE 49 HG23 ILE 49 25.387 -2.930 6.736 409 HD11 ILE 49 HD11 ILE 49 22.214 -2.380 9.698 410 HD12 ILE 49 HD12 ILE 49 23.604 -3.108 8.891 411 HD13 ILE 49 HD13 ILE 49 23.824 -1.699 9.929 412 H LEU 50 H LEU 50 25.508 0.299 5.499 413 HA LEU 50 HA LEU 50 27.910 -1.002 4.622 414 HB2 LEU 50 HB2 LEU 50 26.654 1.343 3.247 415 HB3 LEU 50 HB3 LEU 50 27.531 -0.015 2.544 416 HG LEU 50 HG LEU 50 24.773 -0.181 3.758 417 HD11 LEU 50 HD11 LEU 50 25.632 0.772 1.207 418 HD12 LEU 50 HD12 LEU 50 23.995 0.607 1.840 419 HD13 LEU 50 HD13 LEU 50 24.754 -0.744 0.999 420 HD21 LEU 50 HD21 LEU 50 25.835 -2.240 1.923 421 HD22 LEU 50 HD22 LEU 50 24.780 -2.402 3.327 422 HD23 LEU 50 HD23 LEU 50 26.518 -2.200 3.548 423 H GLY 51 H GLY 51 27.047 2.169 5.858 424 HA2 GLY 51 HA2 GLY 51 28.605 3.537 7.021 425 HA3 GLY 51 HA3 GLY 51 29.907 2.765 6.127 426 H ILE 52 H ILE 52 27.002 3.959 4.588 427 HA ILE 52 HA ILE 52 28.592 5.684 2.902 428 HB ILE 52 HB ILE 52 26.701 4.326 2.009 429 HG12 ILE 52 HG12 ILE 52 25.782 6.128 0.579 430 HG13 ILE 52 HG13 ILE 52 26.468 7.325 1.673 431 HG21 ILE 52 HG21 ILE 52 24.607 6.176 2.721 432 HG22 ILE 52 HG22 ILE 52 24.652 4.420 2.867 433 HG23 ILE 52 HG23 ILE 52 25.309 5.429 4.155 434 HD11 ILE 52 HD11 ILE 52 28.240 5.284 0.419 435 HD12 ILE 52 HD12 ILE 52 27.714 6.690 -0.508 436 HD13 ILE 52 HD13 ILE 52 28.621 6.909 0.989 437 H LYS 53 H LYS 53 28.426 7.914 2.728 438 HA LYS 53 HA LYS 53 27.196 9.248 5.048 439 HB2 LYS 53 HB2 LYS 53 29.413 10.358 3.331 440 HB3 LYS 53 HB3 LYS 53 28.875 10.935 4.902 441 HG2 LYS 53 HG2 LYS 53 29.710 8.894 5.945 442 HG3 LYS 53 HG3 LYS 53 30.239 8.303 4.368 443 HD2 LYS 53 HD2 LYS 53 32.200 9.207 5.119 444 HD3 LYS 53 HD3 LYS 53 31.508 10.622 4.323 445 HE2 LYS 53 HE2 LYS 53 32.342 11.277 6.478 446 HE3 LYS 53 HE3 LYS 53 30.580 11.334 6.511 447 HZ1 LYS 53 HZ1 LYS 53 31.680 8.801 7.326 448 HZ2 LYS 53 HZ2 LYS 53 30.489 9.750 8.062 449 HZ3 LYS 53 HZ3 LYS 53 32.125 10.084 8.335 Start of MODEL 19 1 H1 MET 1 H MET 1 1.043 -2.059 -0.087 2 HA MET 1 HA MET 1 1.143 0.510 -1.385 3 HB2 MET 1 HB2 MET 1 1.718 0.199 1.532 4 HB3 MET 1 HB3 MET 1 2.680 1.332 0.592 5 HG2 MET 1 HG2 MET 1 0.991 2.660 1.425 6 HG3 MET 1 HG3 MET 1 0.413 2.265 -0.192 7 HE1 MET 1 HE1 MET 1 -2.880 2.440 1.158 8 HE2 MET 1 HE2 MET 1 -1.651 2.838 -0.043 9 HE3 MET 1 HE3 MET 1 -2.565 1.335 -0.181 10 H ALA 2 H ALA 2 3.363 1.174 -1.876 11 HA ALA 2 HA ALA 2 5.181 -1.145 -1.964 12 HB1 ALA 2 HB1 ALA 2 6.128 0.356 -3.957 13 HB2 ALA 2 HB2 ALA 2 4.838 -0.826 -4.182 14 HB3 ALA 2 HB3 ALA 2 4.444 0.882 -3.990 15 H GLY 3 H GLY 3 6.081 -0.534 0.087 16 HA2 GLY 3 HA2 GLY 3 7.531 2.008 0.166 17 HA3 GLY 3 HA3 GLY 3 7.274 0.919 1.521 18 H PHE 4 H PHE 4 8.331 -0.413 -1.485 19 HA PHE 4 HA PHE 4 11.006 -0.813 -0.320 20 HB2 PHE 4 HB2 PHE 4 9.886 -2.922 -0.540 21 HB3 PHE 4 HB3 PHE 4 9.393 -2.552 -2.190 22 HD1 PHE 4 HD1 PHE 4 12.397 -3.116 -0.079 23 HD2 PHE 4 HD2 PHE 4 10.703 -3.228 -3.982 24 HE1 PHE 4 HE1 PHE 4 14.428 -4.216 -0.926 25 HE2 PHE 4 HE2 PHE 4 12.731 -4.329 -4.835 26 HZ PHE 4 HZ PHE 4 14.597 -4.826 -3.306 27 H LEU 5 H LEU 5 9.533 -0.893 -3.569 28 HA LEU 5 HA LEU 5 11.830 -0.254 -4.991 29 HB2 LEU 5 HB2 LEU 5 8.913 0.123 -5.555 30 HB3 LEU 5 HB3 LEU 5 10.132 0.685 -6.696 31 HG LEU 5 HG LEU 5 10.344 -2.133 -5.821 32 HD11 LEU 5 HD11 LEU 5 8.654 -2.686 -7.678 33 HD12 LEU 5 HD12 LEU 5 8.043 -1.054 -7.407 34 HD13 LEU 5 HD13 LEU 5 8.037 -2.228 -6.091 35 HD21 LEU 5 HD21 LEU 5 11.296 -2.438 -7.890 36 HD22 LEU 5 HD22 LEU 5 11.726 -0.759 -7.567 37 HD23 LEU 5 HD23 LEU 5 10.370 -1.133 -8.631 38 H LYS 6 H LYS 6 9.716 1.779 -3.153 39 HA LYS 6 HA LYS 6 10.576 4.249 -4.342 40 HB2 LYS 6 HB2 LYS 6 8.388 3.618 -2.954 41 HB3 LYS 6 HB3 LYS 6 9.377 4.188 -1.617 42 HG2 LYS 6 HG2 LYS 6 9.764 6.282 -3.018 43 HG3 LYS 6 HG3 LYS 6 8.429 5.708 -4.021 44 HD2 LYS 6 HD2 LYS 6 8.169 5.991 -1.041 45 HD3 LYS 6 HD3 LYS 6 7.875 7.345 -2.134 46 HE2 LYS 6 HE2 LYS 6 6.504 4.684 -2.434 47 HE3 LYS 6 HE3 LYS 6 5.851 5.981 -1.435 48 HZ1 LYS 6 HZ1 LYS 6 6.600 6.729 -4.137 49 HZ2 LYS 6 HZ2 LYS 6 5.247 7.174 -3.226 50 HZ3 LYS 6 HZ3 LYS 6 5.280 5.678 -4.015 51 H VAL 7 H VAL 7 11.140 2.678 -1.193 52 HA VAL 7 HA VAL 7 13.011 4.564 -0.258 53 HB VAL 7 HB VAL 7 13.683 2.828 1.369 54 HG11 VAL 7 HG11 VAL 7 10.839 3.549 0.886 55 HG12 VAL 7 HG12 VAL 7 11.204 2.384 2.160 56 HG13 VAL 7 HG13 VAL 7 11.910 4.000 2.212 57 HG21 VAL 7 HG21 VAL 7 13.486 0.903 -0.172 58 HG22 VAL 7 HG22 VAL 7 12.647 0.646 1.358 59 HG23 VAL 7 HG23 VAL 7 11.730 1.053 -0.093 60 H VAL 8 H VAL 8 13.308 1.797 -2.350 61 HA VAL 8 HA VAL 8 16.169 1.612 -2.155 62 HB VAL 8 HB VAL 8 14.274 0.433 -4.192 63 HG11 VAL 8 HG11 VAL 8 16.262 0.297 -5.314 64 HG12 VAL 8 HG12 VAL 8 17.223 0.261 -3.834 65 HG13 VAL 8 HG13 VAL 8 16.352 -1.182 -4.357 66 HG21 VAL 8 HG21 VAL 8 13.782 -1.111 -2.674 67 HG22 VAL 8 HG22 VAL 8 15.492 -1.478 -2.452 68 HG23 VAL 8 HG23 VAL 8 14.728 -0.219 -1.483 69 H GLN 9 H GLN 9 13.912 3.439 -4.023 70 HA GLN 9 HA GLN 9 15.617 4.021 -6.227 71 HB2 GLN 9 HB2 GLN 9 13.000 4.964 -5.223 72 HB3 GLN 9 HB3 GLN 9 13.897 6.110 -6.210 73 HG2 GLN 9 HG2 GLN 9 14.073 3.708 -7.592 74 HG3 GLN 9 HG3 GLN 9 12.416 3.763 -6.991 75 HE21 GLN 9 HE21 GLN 9 11.649 6.263 -7.138 76 HE22 GLN 9 HE22 GLN 9 11.763 6.890 -8.743 77 H LEU 10 H LEU 10 14.885 5.664 -3.182 78 HA LEU 10 HA LEU 10 16.180 8.068 -3.588 79 HB2 LEU 10 HB2 LEU 10 15.634 6.389 -1.192 80 HB3 LEU 10 HB3 LEU 10 16.714 7.772 -1.022 81 HG LEU 10 HG LEU 10 15.001 9.306 -1.508 82 HD11 LEU 10 HD11 LEU 10 13.506 6.933 -2.575 83 HD12 LEU 10 HD12 LEU 10 13.948 8.426 -3.404 84 HD13 LEU 10 HD13 LEU 10 12.693 8.444 -2.165 85 HD21 LEU 10 HD21 LEU 10 13.899 7.061 0.174 86 HD22 LEU 10 HD22 LEU 10 13.173 8.664 0.064 87 HD23 LEU 10 HD23 LEU 10 14.797 8.475 0.726 88 H LEU 11 H LEU 11 17.533 4.927 -2.792 89 HA LEU 11 HA LEU 11 20.102 5.652 -2.040 90 HB2 LEU 11 HB2 LEU 11 18.956 3.254 -3.405 91 HB3 LEU 11 HB3 LEU 11 20.701 3.397 -3.204 92 HG LEU 11 HG LEU 11 19.757 2.023 -1.449 93 HD11 LEU 11 HD11 LEU 11 21.173 2.849 0.061 94 HD12 LEU 11 HD12 LEU 11 20.277 4.362 0.200 95 HD13 LEU 11 HD13 LEU 11 21.459 4.153 -1.092 96 HD21 LEU 11 HD21 LEU 11 17.497 3.208 -1.569 97 HD22 LEU 11 HD22 LEU 11 18.200 4.397 -0.473 98 HD23 LEU 11 HD23 LEU 11 18.070 2.709 0.022 99 H ALA 12 H ALA 12 18.609 5.697 -5.168 100 HA ALA 12 HA ALA 12 20.762 5.575 -6.889 101 HB1 ALA 12 HB1 ALA 12 19.406 6.540 -8.502 102 HB2 ALA 12 HB2 ALA 12 18.237 5.852 -7.374 103 HB3 ALA 12 HB3 ALA 12 18.586 7.580 -7.336 104 H LYS 13 H LYS 13 19.564 8.361 -5.059 105 HA LYS 13 HA LYS 13 21.252 10.308 -6.146 106 HB2 LYS 13 HB2 LYS 13 20.664 11.669 -4.296 107 HB3 LYS 13 HB3 LYS 13 19.258 10.665 -4.623 108 HG2 LYS 13 HG2 LYS 13 19.307 10.346 -2.402 109 HG3 LYS 13 HG3 LYS 13 20.517 9.128 -2.810 110 HD2 LYS 13 HD2 LYS 13 21.640 10.295 -1.188 111 HD3 LYS 13 HD3 LYS 13 22.160 11.177 -2.626 112 HE2 LYS 13 HE2 LYS 13 20.163 12.711 -2.182 113 HE3 LYS 13 HE3 LYS 13 20.095 11.959 -0.589 114 HZ1 LYS 13 HZ1 LYS 13 21.680 14.076 -1.357 115 HZ2 LYS 13 HZ2 LYS 13 22.742 12.768 -1.210 116 HZ3 LYS 13 HZ3 LYS 13 21.767 13.217 0.098 117 H TYR 14 H TYR 14 21.835 7.834 -3.765 118 HA TYR 14 HA TYR 14 24.318 8.972 -2.846 119 HB2 TYR 14 HB2 TYR 14 22.899 6.364 -2.356 120 HB3 TYR 14 HB3 TYR 14 24.539 6.635 -1.778 121 HD1 TYR 14 HD2 TYR 14 24.963 8.508 -0.155 122 HD2 TYR 14 HD1 TYR 14 21.035 7.259 -1.209 123 HE1 TYR 14 HE2 TYR 14 24.076 9.628 1.847 124 HE2 TYR 14 HE1 TYR 14 20.137 8.377 0.789 125 HH TYR 14 HH TYR 14 21.497 10.642 2.396 126 H GLY 15 H GLY 15 23.352 6.262 -4.930 127 HA2 GLY 15 HA2 GLY 15 25.237 6.447 -6.859 128 HA3 GLY 15 HA3 GLY 15 26.096 5.618 -5.569 129 H SER 16 H SER 16 26.340 3.701 -6.694 130 HA SER 16 HA SER 16 23.846 2.237 -7.263 131 HB2 SER 16 HB2 SER 16 25.355 2.760 -9.236 132 HB3 SER 16 HB3 SER 16 26.540 1.673 -8.510 133 HG SER 16 HG SER 16 24.270 1.092 -9.900 134 H LYS 17 H LYS 17 26.891 2.237 -5.615 135 HA LYS 17 HA LYS 17 26.992 -0.534 -4.987 136 HB2 LYS 17 HB2 LYS 17 28.958 0.981 -4.899 137 HB3 LYS 17 HB3 LYS 17 28.245 1.787 -3.508 138 HG2 LYS 17 HG2 LYS 17 29.854 0.282 -2.667 139 HG3 LYS 17 HG3 LYS 17 28.276 -0.438 -2.337 140 HD2 LYS 17 HD2 LYS 17 28.580 -1.734 -4.499 141 HD3 LYS 17 HD3 LYS 17 30.260 -1.192 -4.472 142 HE2 LYS 17 HE2 LYS 17 30.399 -3.241 -3.417 143 HE3 LYS 17 HE3 LYS 17 30.248 -2.137 -2.051 144 HZ1 LYS 17 HZ1 LYS 17 28.173 -2.868 -1.569 145 HZ2 LYS 17 HZ2 LYS 17 28.757 -4.284 -2.287 146 HZ3 LYS 17 HZ3 LYS 17 27.783 -3.225 -3.177 147 H ALA 18 H ALA 18 25.312 2.181 -3.646 148 HA ALA 18 HA ALA 18 24.724 0.877 -1.134 149 HB1 ALA 18 HB1 ALA 18 23.387 3.346 -2.207 150 HB2 ALA 18 HB2 ALA 18 23.588 2.848 -0.526 151 HB3 ALA 18 HB3 ALA 18 24.986 3.380 -1.462 152 H VAL 19 H VAL 19 22.795 1.953 -3.937 153 HA VAL 19 HA VAL 19 20.349 0.901 -3.180 154 HB VAL 19 HB VAL 19 20.688 2.380 -5.137 155 HG11 VAL 19 HG11 VAL 19 21.462 1.515 -7.239 156 HG12 VAL 19 HG12 VAL 19 22.689 1.189 -6.013 157 HG13 VAL 19 HG13 VAL 19 21.624 -0.105 -6.563 158 HG21 VAL 19 HG21 VAL 19 18.619 1.709 -5.593 159 HG22 VAL 19 HG22 VAL 19 19.298 0.465 -6.642 160 HG23 VAL 19 HG23 VAL 19 18.951 0.100 -4.952 161 H GLN 20 H GLN 20 23.132 -0.704 -4.565 162 HA GLN 20 HA GLN 20 21.937 -3.082 -5.414 163 HB2 GLN 20 HB2 GLN 20 24.357 -2.240 -5.733 164 HB3 GLN 20 HB3 GLN 20 24.675 -2.990 -4.175 165 HG2 GLN 20 HG2 GLN 20 23.588 -5.085 -5.274 166 HG3 GLN 20 HG3 GLN 20 23.982 -4.258 -6.780 167 HE21 GLN 20 HE21 GLN 20 26.354 -3.118 -6.300 168 HE22 GLN 20 HE22 GLN 20 27.553 -4.310 -5.942 169 H TRP 21 H TRP 21 22.833 -1.972 -2.230 170 HA TRP 21 HA TRP 21 22.767 -4.455 -0.894 171 HB2 TRP 21 HB2 TRP 21 23.697 -2.262 -0.014 172 HB3 TRP 21 HB3 TRP 21 22.033 -1.790 0.320 173 HD1 TRP 21 HD1 TRP 21 24.350 -4.783 1.221 174 HE1 TRP 21 HE1 TRP 21 23.852 -5.454 3.655 175 HE3 TRP 21 HE3 TRP 21 20.600 -1.458 2.229 176 HZ2 TRP 21 HZ2 TRP 21 22.101 -4.677 5.728 177 HZ3 TRP 21 HZ3 TRP 21 19.567 -1.487 4.462 178 HH2 TRP 21 HH2 TRP 21 20.303 -3.065 6.173 179 H ALA 22 H ALA 22 20.289 -1.892 -1.069 180 HA ALA 22 HA ALA 22 18.255 -3.193 0.275 181 HB1 ALA 22 HB1 ALA 22 18.164 -0.839 -0.397 182 HB2 ALA 22 HB2 ALA 22 17.955 -1.331 -2.078 183 HB3 ALA 22 HB3 ALA 22 16.713 -1.715 -0.886 184 H TRP 23 H TRP 23 19.420 -3.683 -2.972 185 HA TRP 23 HA TRP 23 17.148 -5.287 -3.764 186 HB2 TRP 23 HB2 TRP 23 19.682 -4.384 -5.061 187 HB3 TRP 23 HB3 TRP 23 18.861 -5.796 -5.721 188 HD1 TRP 23 HD1 TRP 23 18.547 -2.018 -5.418 189 HE1 TRP 23 HE1 TRP 23 16.621 -1.216 -6.925 190 HE3 TRP 23 HE3 TRP 23 16.583 -6.558 -6.713 191 HZ2 TRP 23 HZ2 TRP 23 14.544 -2.356 -8.459 192 HZ3 TRP 23 HZ3 TRP 23 14.626 -6.614 -8.203 193 HH2 TRP 23 HH2 TRP 23 13.629 -4.556 -9.057 194 H ALA 24 H ALA 24 20.344 -5.779 -2.460 195 HA ALA 24 HA ALA 24 20.424 -8.597 -3.013 196 HB1 ALA 24 HB1 ALA 24 22.577 -8.073 -2.750 197 HB2 ALA 24 HB2 ALA 24 22.198 -6.605 -1.847 198 HB3 ALA 24 HB3 ALA 24 22.264 -8.160 -1.017 199 H ASN 25 H ASN 25 19.263 -6.567 -0.442 200 HA ASN 25 HA ASN 25 18.704 -8.953 1.191 201 HB2 ASN 25 HB2 ASN 25 19.204 -6.081 1.919 202 HB3 ASN 25 HB3 ASN 25 18.322 -7.139 3.015 203 HD21 ASN 25 HD21 ASN 25 21.379 -6.426 1.557 204 HD22 ASN 25 HD22 ASN 25 22.331 -7.466 2.554 205 H LYS 26 H LYS 26 16.795 -9.516 0.110 206 HA LYS 26 HA LYS 26 14.596 -7.574 0.230 207 HB2 LYS 26 HB2 LYS 26 15.192 -9.943 -1.473 208 HB3 LYS 26 HB3 LYS 26 13.502 -9.579 -1.147 209 HG2 LYS 26 HG2 LYS 26 13.823 -7.322 -2.040 210 HG3 LYS 26 HG3 LYS 26 15.510 -7.707 -2.387 211 HD2 LYS 26 HD2 LYS 26 14.598 -8.156 -4.430 212 HD3 LYS 26 HD3 LYS 26 14.398 -9.738 -3.674 213 HE2 LYS 26 HE2 LYS 26 12.102 -9.145 -3.058 214 HE3 LYS 26 HE3 LYS 26 12.306 -7.568 -3.820 215 HZ1 LYS 26 HZ1 LYS 26 13.011 -9.279 -5.787 216 HZ2 LYS 26 HZ2 LYS 26 11.483 -8.572 -5.619 217 HZ3 LYS 26 HZ3 LYS 26 11.766 -10.128 -5.018 218 H GLY 27 H GLY 27 14.339 -7.850 2.531 219 HA2 GLY 27 HA2 GLY 27 12.241 -9.433 3.309 220 HA3 GLY 27 HA3 GLY 27 13.665 -10.412 3.626 221 H LYS 28 H LYS 28 15.488 -8.713 4.590 222 HA LYS 28 HA LYS 28 14.597 -8.246 7.235 223 HB2 LYS 28 HB2 LYS 28 17.093 -7.140 5.943 224 HB3 LYS 28 HB3 LYS 28 16.811 -7.398 7.660 225 HG2 LYS 28 HG2 LYS 28 16.855 -9.627 5.643 226 HG3 LYS 28 HG3 LYS 28 18.280 -9.088 6.533 227 HD2 LYS 28 HD2 LYS 28 15.815 -9.750 8.067 228 HD3 LYS 28 HD3 LYS 28 16.778 -11.076 7.409 229 HE2 LYS 28 HE2 LYS 28 17.964 -8.858 9.062 230 HE3 LYS 28 HE3 LYS 28 17.328 -10.341 9.772 231 HZ1 LYS 28 HZ1 LYS 28 19.854 -10.052 9.022 232 HZ2 LYS 28 HZ2 LYS 28 19.214 -10.674 7.586 233 HZ3 LYS 28 HZ3 LYS 28 19.061 -11.546 9.027 234 H ILE 29 H ILE 29 15.319 -6.070 4.529 235 HA ILE 29 HA ILE 29 14.792 -3.676 5.962 236 HB ILE 29 HB ILE 29 14.717 -4.152 2.980 237 HG12 ILE 29 HG12 ILE 29 16.948 -3.160 4.768 238 HG13 ILE 29 HG13 ILE 29 16.884 -4.733 3.981 239 HG21 ILE 29 HG21 ILE 29 14.099 -2.034 2.757 240 HG22 ILE 29 HG22 ILE 29 13.969 -1.896 4.510 241 HG23 ILE 29 HG23 ILE 29 15.490 -1.510 3.706 242 HD11 ILE 29 HD11 ILE 29 17.260 -2.035 2.739 243 HD12 ILE 29 HD12 ILE 29 18.309 -3.451 2.655 244 HD13 ILE 29 HD13 ILE 29 16.772 -3.439 1.791 245 H LEU 30 H LEU 30 12.833 -5.755 3.882 246 HA LEU 30 HA LEU 30 10.579 -4.155 3.615 247 HB2 LEU 30 HB2 LEU 30 11.091 -7.080 3.567 248 HB3 LEU 30 HB3 LEU 30 9.417 -6.539 3.667 249 HG LEU 30 HG LEU 30 10.203 -7.056 1.360 250 HD11 LEU 30 HD11 LEU 30 8.731 -5.576 0.567 251 HD12 LEU 30 HD12 LEU 30 9.654 -4.197 1.161 252 HD13 LEU 30 HD13 LEU 30 8.558 -5.057 2.243 253 HD21 LEU 30 HD21 LEU 30 12.518 -6.035 1.870 254 HD22 LEU 30 HD22 LEU 30 11.756 -4.497 1.464 255 HD23 LEU 30 HD23 LEU 30 11.818 -5.794 0.269 256 H ASP 31 H ASP 31 11.746 -5.918 6.357 257 HA ASP 31 HA ASP 31 9.280 -5.971 7.801 258 HB2 ASP 31 HB2 ASP 31 12.155 -6.459 8.522 259 HB3 ASP 31 HB3 ASP 31 10.922 -6.365 9.777 260 H TRP 32 H TRP 32 12.104 -3.845 7.763 261 HA TRP 32 HA TRP 32 11.541 -2.233 9.934 262 HB2 TRP 32 HB2 TRP 32 12.850 -1.625 7.289 263 HB3 TRP 32 HB3 TRP 32 12.708 -0.409 8.555 264 HD1 TRP 32 HD1 TRP 32 13.288 -2.686 10.922 265 HE1 TRP 32 HE1 TRP 32 15.747 -3.342 11.306 266 HE3 TRP 32 HE3 TRP 32 15.246 -1.140 6.460 267 HZ2 TRP 32 HZ2 TRP 32 18.194 -3.219 9.903 268 HZ3 TRP 32 HZ3 TRP 32 17.655 -1.444 6.060 269 HH2 TRP 32 HH2 TRP 32 19.097 -2.462 7.748 270 H LEU 33 H LEU 33 10.049 -2.291 6.780 271 HA LEU 33 HA LEU 33 8.793 0.207 6.794 272 HB2 LEU 33 HB2 LEU 33 7.865 -2.397 5.592 273 HB3 LEU 33 HB3 LEU 33 7.175 -0.816 5.228 274 HG LEU 33 HG LEU 33 9.956 -1.779 4.566 275 HD11 LEU 33 HD11 LEU 33 7.683 -0.953 2.769 276 HD12 LEU 33 HD12 LEU 33 8.108 -2.623 3.146 277 HD13 LEU 33 HD13 LEU 33 9.250 -1.597 2.279 278 HD21 LEU 33 HD21 LEU 33 8.680 0.930 4.233 279 HD22 LEU 33 HD22 LEU 33 10.145 0.419 3.393 280 HD23 LEU 33 HD23 LEU 33 10.130 0.529 5.154 281 H ASN 34 H ASN 34 7.739 -2.912 8.099 282 HA ASN 34 HA ASN 34 5.234 -1.843 9.041 283 HB2 ASN 34 HB2 ASN 34 6.568 -4.492 9.647 284 HB3 ASN 34 HB3 ASN 34 4.900 -4.069 10.021 285 HD21 ASN 34 HD21 ASN 34 6.833 -5.639 7.888 286 HD22 ASN 34 HD22 ASN 34 5.795 -5.649 6.507 287 H ALA 35 H ALA 35 8.431 -2.361 10.308 288 HA ALA 35 HA ALA 35 7.520 -1.626 13.005 289 HB1 ALA 35 HB1 ALA 35 10.103 -2.876 12.082 290 HB2 ALA 35 HB2 ALA 35 9.750 -2.411 13.747 291 HB3 ALA 35 HB3 ALA 35 8.793 -3.666 12.959 292 H GLY 36 H GLY 36 7.633 0.362 10.981 293 HA2 GLY 36 HA2 GLY 36 9.347 2.261 12.310 294 HA3 GLY 36 HA3 GLY 36 9.869 1.877 10.676 295 H GLN 37 H GLN 37 7.575 1.699 9.271 296 HA GLN 37 HA GLN 37 6.117 3.001 8.103 297 HB2 GLN 37 HB2 GLN 37 5.483 3.762 10.946 298 HB3 GLN 37 HB3 GLN 37 4.589 4.434 9.589 299 HG2 GLN 37 HG2 GLN 37 4.156 2.025 8.893 300 HG3 GLN 37 HG3 GLN 37 4.733 1.583 10.499 301 HE21 GLN 37 HE21 GLN 37 3.506 2.107 12.297 302 HE22 GLN 37 HE22 GLN 37 1.855 2.599 12.179 303 H ALA 38 H ALA 38 8.756 3.995 8.274 304 HA ALA 38 HA ALA 38 8.251 6.766 7.620 305 HB1 ALA 38 HB1 ALA 38 9.822 7.732 9.145 306 HB2 ALA 38 HB2 ALA 38 8.664 6.781 10.077 307 HB3 ALA 38 HB3 ALA 38 10.277 6.142 9.761 308 H ILE 39 H ILE 39 10.178 7.816 6.672 309 HA ILE 39 HA ILE 39 11.773 5.833 5.214 310 HB ILE 39 HB ILE 39 11.375 8.764 4.603 311 HG12 ILE 39 HG12 ILE 39 10.137 7.547 2.585 312 HG13 ILE 39 HG13 ILE 39 9.914 6.292 3.798 313 HG21 ILE 39 HG21 ILE 39 13.359 8.266 3.559 314 HG22 ILE 39 HG22 ILE 39 12.928 6.575 3.309 315 HG23 ILE 39 HG23 ILE 39 12.203 7.827 2.301 316 HD11 ILE 39 HD11 ILE 39 8.297 8.475 3.393 317 HD12 ILE 39 HD12 ILE 39 8.314 7.441 4.822 318 HD13 ILE 39 HD13 ILE 39 9.256 8.932 4.801 319 H ASP 40 H ASP 40 12.169 9.009 6.783 320 HA ASP 40 HA ASP 40 14.944 9.146 6.676 321 HB2 ASP 40 HB2 ASP 40 12.931 10.297 8.596 322 HB3 ASP 40 HB3 ASP 40 14.656 10.594 8.791 323 H TRP 41 H TRP 41 12.877 7.266 8.722 324 HA TRP 41 HA TRP 41 14.864 6.712 10.719 325 HB2 TRP 41 HB2 TRP 41 12.439 6.634 11.211 326 HB3 TRP 41 HB3 TRP 41 12.276 5.260 10.122 327 HD1 TRP 41 HD1 TRP 41 13.462 6.189 13.612 328 HE1 TRP 41 HE1 TRP 41 13.937 4.033 14.937 329 HE3 TRP 41 HE3 TRP 41 13.038 2.793 9.814 330 HZ2 TRP 41 HZ2 TRP 41 14.109 1.260 14.437 331 HZ3 TRP 41 HZ3 TRP 41 13.373 0.409 10.321 332 HH2 TRP 41 HH2 TRP 41 13.898 -0.340 12.585 333 H VAL 42 H VAL 42 13.954 5.368 7.661 334 HA VAL 42 HA VAL 42 15.418 2.894 8.127 335 HB VAL 42 HB VAL 42 13.977 3.867 5.656 336 HG11 VAL 42 HG11 VAL 42 15.583 1.443 6.248 337 HG12 VAL 42 HG12 VAL 42 14.120 1.245 5.281 338 HG13 VAL 42 HG13 VAL 42 15.395 2.338 4.740 339 HG21 VAL 42 HG21 VAL 42 13.109 1.696 7.545 340 HG22 VAL 42 HG22 VAL 42 12.603 3.375 7.734 341 HG23 VAL 42 HG23 VAL 42 12.171 2.482 6.276 342 H VAL 43 H VAL 43 15.757 5.938 6.441 343 HA VAL 43 HA VAL 43 17.935 5.231 4.783 344 HB VAL 43 HB VAL 43 17.353 7.979 5.889 345 HG11 VAL 43 HG11 VAL 43 18.534 8.820 4.028 346 HG12 VAL 43 HG12 VAL 43 19.534 7.519 4.677 347 HG13 VAL 43 HG13 VAL 43 18.558 7.246 3.233 348 HG21 VAL 43 HG21 VAL 43 15.393 7.875 4.836 349 HG22 VAL 43 HG22 VAL 43 16.295 7.808 3.322 350 HG23 VAL 43 HG23 VAL 43 15.789 6.316 4.113 351 H SER 44 H SER 44 17.854 6.991 7.884 352 HA SER 44 HA SER 44 20.618 7.228 8.210 353 HB2 SER 44 HB2 SER 44 18.787 8.395 9.540 354 HB3 SER 44 HB3 SER 44 18.656 6.911 10.485 355 HG SER 44 HG SER 44 20.691 8.811 10.416 356 H LYS 45 H LYS 45 18.509 4.529 8.664 357 HA LYS 45 HA LYS 45 20.167 3.019 10.411 358 HB2 LYS 45 HB2 LYS 45 17.655 2.711 9.837 359 HB3 LYS 45 HB3 LYS 45 18.242 1.789 8.459 360 HG2 LYS 45 HG2 LYS 45 17.958 0.109 9.965 361 HG3 LYS 45 HG3 LYS 45 19.633 0.542 10.315 362 HD2 LYS 45 HD2 LYS 45 19.034 1.727 12.254 363 HD3 LYS 45 HD3 LYS 45 17.332 1.788 11.792 364 HE2 LYS 45 HE2 LYS 45 17.694 0.172 13.579 365 HE3 LYS 45 HE3 LYS 45 17.159 -0.630 12.103 366 HZ1 LYS 45 HZ1 LYS 45 18.966 -1.882 12.157 367 HZ2 LYS 45 HZ2 LYS 45 19.456 -1.143 13.597 368 HZ3 LYS 45 HZ3 LYS 45 19.964 -0.517 12.111 369 H ILE 46 H ILE 46 20.428 3.823 7.136 370 HA ILE 46 HA ILE 46 21.929 1.448 6.392 371 HB ILE 46 HB ILE 46 21.560 3.962 4.768 372 HG12 ILE 46 HG12 ILE 46 19.361 3.108 5.367 373 HG13 ILE 46 HG13 ILE 46 19.685 2.770 3.670 374 HG21 ILE 46 HG21 ILE 46 22.302 1.132 4.046 375 HG22 ILE 46 HG22 ILE 46 21.933 2.395 2.873 376 HG23 ILE 46 HG23 ILE 46 23.326 2.564 3.941 377 HD11 ILE 46 HD11 ILE 46 19.087 0.960 5.825 378 HD12 ILE 46 HD12 ILE 46 19.111 0.675 4.084 379 HD13 ILE 46 HD13 ILE 46 20.596 0.524 5.024 380 H LYS 47 H LYS 47 22.503 4.661 7.530 381 HA LYS 47 HA LYS 47 25.130 5.046 6.608 382 HB2 LYS 47 HB2 LYS 47 24.019 6.063 9.224 383 HB3 LYS 47 HB3 LYS 47 25.302 6.777 8.256 384 HG2 LYS 47 HG2 LYS 47 22.387 6.606 7.524 385 HG3 LYS 47 HG3 LYS 47 23.275 8.053 8.008 386 HD2 LYS 47 HD2 LYS 47 24.807 7.229 5.953 387 HD3 LYS 47 HD3 LYS 47 23.237 6.619 5.426 388 HE2 LYS 47 HE2 LYS 47 23.293 8.752 4.518 389 HE3 LYS 47 HE3 LYS 47 22.382 8.985 6.009 390 HZ1 LYS 47 HZ1 LYS 47 24.890 10.103 5.226 391 HZ2 LYS 47 HZ2 LYS 47 24.988 9.353 6.739 392 HZ3 LYS 47 HZ3 LYS 47 23.846 10.572 6.472 393 H GLN 48 H GLN 48 23.842 3.044 9.102 394 HA GLN 48 HA GLN 48 26.426 2.686 10.393 395 HB2 GLN 48 HB2 GLN 48 25.162 1.132 11.887 396 HB3 GLN 48 HB3 GLN 48 24.539 2.777 11.872 397 HG2 GLN 48 HG2 GLN 48 22.725 2.132 10.435 398 HG3 GLN 48 HG3 GLN 48 23.386 0.506 10.271 399 HE21 GLN 48 HE21 GLN 48 22.267 2.800 12.725 400 HE22 GLN 48 HE22 GLN 48 21.549 1.614 13.756 401 H ILE 49 H ILE 49 24.316 1.069 8.144 402 HA ILE 49 HA ILE 49 25.690 -1.456 8.285 403 HB ILE 49 HB ILE 49 23.749 -0.455 6.199 404 HG12 ILE 49 HG12 ILE 49 22.721 -0.478 8.408 405 HG13 ILE 49 HG13 ILE 49 22.082 -1.802 7.439 406 HG21 ILE 49 HG21 ILE 49 23.768 -3.293 6.570 407 HG22 ILE 49 HG22 ILE 49 24.084 -2.358 5.110 408 HG23 ILE 49 HG23 ILE 49 25.402 -2.728 6.221 409 HD11 ILE 49 HD11 ILE 49 22.460 -2.958 9.330 410 HD12 ILE 49 HD12 ILE 49 24.091 -3.076 8.666 411 HD13 ILE 49 HD13 ILE 49 23.720 -1.856 9.884 412 H LEU 50 H LEU 50 25.171 0.654 5.463 413 HA LEU 50 HA LEU 50 27.422 -0.352 4.075 414 HB2 LEU 50 HB2 LEU 50 25.979 2.253 3.616 415 HB3 LEU 50 HB3 LEU 50 26.997 1.394 2.462 416 HG LEU 50 HG LEU 50 24.288 0.549 3.482 417 HD11 LEU 50 HD11 LEU 50 25.322 1.535 0.839 418 HD12 LEU 50 HD12 LEU 50 24.020 2.199 1.826 419 HD13 LEU 50 HD13 LEU 50 23.800 0.658 0.997 420 HD21 LEU 50 HD21 LEU 50 26.245 -0.902 1.706 421 HD22 LEU 50 HD22 LEU 50 24.546 -1.342 1.886 422 HD23 LEU 50 HD23 LEU 50 25.632 -1.427 3.275 423 H GLY 51 H GLY 51 27.004 2.194 6.387 424 HA2 GLY 51 HA2 GLY 51 28.648 3.336 7.559 425 HA3 GLY 51 HA3 GLY 51 29.859 2.570 6.542 426 H ILE 52 H ILE 52 27.274 4.128 4.915 427 HA ILE 52 HA ILE 52 29.032 5.952 3.625 428 HB ILE 52 HB ILE 52 27.003 5.024 2.545 429 HG12 ILE 52 HG12 ILE 52 26.490 7.941 2.506 430 HG13 ILE 52 HG13 ILE 52 28.146 7.446 2.170 431 HG21 ILE 52 HG21 ILE 52 25.147 6.956 3.647 432 HG22 ILE 52 HG22 ILE 52 24.959 5.220 3.406 433 HG23 ILE 52 HG23 ILE 52 25.734 5.828 4.869 434 HD11 ILE 52 HD11 ILE 52 27.239 5.923 0.411 435 HD12 ILE 52 HD12 ILE 52 25.661 6.666 0.674 436 HD13 ILE 52 HD13 ILE 52 27.011 7.644 0.099 437 H LYS 53 H LYS 53 29.332 8.117 3.899 438 HA LYS 53 HA LYS 53 29.149 9.255 6.406 439 HB2 LYS 53 HB2 LYS 53 30.560 10.075 4.512 440 HB3 LYS 53 HB3 LYS 53 29.115 10.770 3.790 441 HG2 LYS 53 HG2 LYS 53 28.832 12.224 5.722 442 HG3 LYS 53 HG3 LYS 53 30.260 11.511 6.476 443 HD2 LYS 53 HD2 LYS 53 31.514 12.241 4.369 444 HD3 LYS 53 HD3 LYS 53 30.099 13.237 4.020 445 HE2 LYS 53 HE2 LYS 53 31.611 13.361 6.622 446 HE3 LYS 53 HE3 LYS 53 31.982 14.390 5.239 447 HZ1 LYS 53 HZ1 LYS 53 30.004 14.748 7.192 448 HZ2 LYS 53 HZ2 LYS 53 29.233 14.533 5.702 449 HZ3 LYS 53 HZ3 LYS 53 30.386 15.756 5.888 Start of MODEL 20 1 H1 MET 1 H MET 1 0.446 -1.051 0.152 2 HA MET 1 HA MET 1 1.097 0.130 -2.435 3 HB2 MET 1 HB2 MET 1 1.373 1.579 0.200 4 HB3 MET 1 HB3 MET 1 2.180 2.084 -1.279 5 HG2 MET 1 HG2 MET 1 0.185 2.680 -2.312 6 HG3 MET 1 HG3 MET 1 -0.787 1.729 -1.191 7 HE1 MET 1 HE1 MET 1 -2.435 3.691 -1.003 8 HE2 MET 1 HE2 MET 1 -2.061 5.286 -0.351 9 HE3 MET 1 HE3 MET 1 -1.504 4.840 -1.964 10 H ALA 2 H ALA 2 3.352 0.242 -2.865 11 HA ALA 2 HA ALA 2 4.893 -1.684 -1.287 12 HB1 ALA 2 HB1 ALA 2 6.055 -2.214 -3.177 13 HB2 ALA 2 HB2 ALA 2 4.539 -1.682 -3.905 14 HB3 ALA 2 HB3 ALA 2 5.922 -0.589 -3.850 15 H GLY 3 H GLY 3 5.515 -0.360 0.446 16 HA2 GLY 3 HA2 GLY 3 6.716 2.189 0.128 17 HA3 GLY 3 HA3 GLY 3 6.794 1.184 1.568 18 H PHE 4 H PHE 4 7.984 -1.056 0.020 19 HA PHE 4 HA PHE 4 10.654 -0.652 0.581 20 HB2 PHE 4 HB2 PHE 4 9.840 -2.877 0.217 21 HB3 PHE 4 HB3 PHE 4 9.357 -2.492 -1.431 22 HD1 PHE 4 HD1 PHE 4 12.284 -2.927 0.787 23 HD2 PHE 4 HD2 PHE 4 10.858 -2.723 -3.218 24 HE1 PHE 4 HE1 PHE 4 14.473 -3.702 -0.029 25 HE2 PHE 4 HE2 PHE 4 13.043 -3.498 -4.040 26 HZ PHE 4 HZ PHE 4 14.854 -3.990 -2.445 27 H LEU 5 H LEU 5 9.304 -0.737 -2.721 28 HA LEU 5 HA LEU 5 11.526 0.223 -4.054 29 HB2 LEU 5 HB2 LEU 5 8.591 0.430 -4.638 30 HB3 LEU 5 HB3 LEU 5 9.795 1.112 -5.730 31 HG LEU 5 HG LEU 5 10.259 -1.696 -5.024 32 HD11 LEU 5 HD11 LEU 5 8.477 -2.389 -6.721 33 HD12 LEU 5 HD12 LEU 5 7.734 -0.825 -6.387 34 HD13 LEU 5 HD13 LEU 5 7.944 -1.997 -5.086 35 HD21 LEU 5 HD21 LEU 5 11.194 -1.753 -7.075 36 HD22 LEU 5 HD22 LEU 5 11.190 0.001 -6.895 37 HD23 LEU 5 HD23 LEU 5 9.907 -0.796 -7.808 38 H LYS 6 H LYS 6 9.161 1.953 -2.180 39 HA LYS 6 HA LYS 6 9.811 4.556 -3.160 40 HB2 LYS 6 HB2 LYS 6 7.918 3.413 -1.359 41 HB3 LYS 6 HB3 LYS 6 8.760 4.707 -0.516 42 HG2 LYS 6 HG2 LYS 6 6.907 5.737 -1.488 43 HG3 LYS 6 HG3 LYS 6 8.251 6.144 -2.557 44 HD2 LYS 6 HD2 LYS 6 7.572 4.550 -4.170 45 HD3 LYS 6 HD3 LYS 6 6.436 3.794 -3.049 46 HE2 LYS 6 HE2 LYS 6 6.076 6.674 -3.702 47 HE3 LYS 6 HE3 LYS 6 5.633 5.480 -4.922 48 HZ1 LYS 6 HZ1 LYS 6 4.156 6.284 -2.704 49 HZ2 LYS 6 HZ2 LYS 6 4.610 4.678 -2.428 50 HZ3 LYS 6 HZ3 LYS 6 3.762 5.088 -3.834 51 H VAL 7 H VAL 7 10.865 2.581 -0.436 52 HA VAL 7 HA VAL 7 12.597 4.690 0.563 53 HB VAL 7 HB VAL 7 13.222 3.087 2.314 54 HG11 VAL 7 HG11 VAL 7 10.379 3.737 1.742 55 HG12 VAL 7 HG12 VAL 7 10.731 2.655 3.091 56 HG13 VAL 7 HG13 VAL 7 11.421 4.279 3.057 57 HG21 VAL 7 HG21 VAL 7 13.067 1.059 0.893 58 HG22 VAL 7 HG22 VAL 7 12.241 0.892 2.443 59 HG23 VAL 7 HG23 VAL 7 11.309 1.179 0.973 60 H VAL 8 H VAL 8 12.780 2.445 -1.857 61 HA VAL 8 HA VAL 8 15.669 2.016 -1.534 62 HB VAL 8 HB VAL 8 13.713 0.665 -3.398 63 HG11 VAL 8 HG11 VAL 8 15.744 0.627 -4.546 64 HG12 VAL 8 HG12 VAL 8 16.684 0.421 -3.067 65 HG13 VAL 8 HG13 VAL 8 15.716 -0.915 -3.692 66 HG21 VAL 8 HG21 VAL 8 13.306 -0.752 -1.739 67 HG22 VAL 8 HG22 VAL 8 15.026 -1.117 -1.608 68 HG23 VAL 8 HG23 VAL 8 14.332 0.207 -0.672 69 H GLN 9 H GLN 9 13.300 3.661 -3.435 70 HA GLN 9 HA GLN 9 14.850 4.101 -5.764 71 HB2 GLN 9 HB2 GLN 9 12.402 5.346 -4.583 72 HB3 GLN 9 HB3 GLN 9 13.215 6.160 -5.913 73 HG2 GLN 9 HG2 GLN 9 12.606 3.275 -6.221 74 HG3 GLN 9 HG3 GLN 9 11.268 4.420 -6.304 75 HE21 GLN 9 HE21 GLN 9 12.070 6.487 -7.641 76 HE22 GLN 9 HE22 GLN 9 12.679 6.082 -9.206 77 H LEU 10 H LEU 10 14.690 5.668 -2.657 78 HA LEU 10 HA LEU 10 16.020 8.069 -3.427 79 HB2 LEU 10 HB2 LEU 10 15.374 6.747 -0.824 80 HB3 LEU 10 HB3 LEU 10 16.471 8.126 -0.863 81 HG LEU 10 HG LEU 10 14.230 8.839 -0.285 82 HD11 LEU 10 HD11 LEU 10 14.881 9.689 -3.101 83 HD12 LEU 10 HD12 LEU 10 15.684 10.306 -1.658 84 HD13 LEU 10 HD13 LEU 10 13.961 10.594 -1.899 85 HD21 LEU 10 HD21 LEU 10 13.329 6.859 -1.875 86 HD22 LEU 10 HD22 LEU 10 13.102 8.244 -2.943 87 HD23 LEU 10 HD23 LEU 10 12.341 8.223 -1.352 88 H LEU 11 H LEU 11 17.057 4.889 -2.504 89 HA LEU 11 HA LEU 11 19.710 5.526 -1.749 90 HB2 LEU 11 HB2 LEU 11 18.289 3.044 -2.597 91 HB3 LEU 11 HB3 LEU 11 20.048 3.038 -2.493 92 HG LEU 11 HG LEU 11 19.059 2.124 -0.474 93 HD11 LEU 11 HD11 LEU 11 19.933 4.613 0.716 94 HD12 LEU 11 HD12 LEU 11 20.987 4.108 -0.604 95 HD13 LEU 11 HD13 LEU 11 20.685 3.019 0.750 96 HD21 LEU 11 HD21 LEU 11 16.978 3.686 -0.792 97 HD22 LEU 11 HD22 LEU 11 17.898 4.773 0.249 98 HD23 LEU 11 HD23 LEU 11 17.469 3.158 0.817 99 H ALA 12 H ALA 12 18.155 5.578 -4.745 100 HA ALA 12 HA ALA 12 20.317 4.826 -6.433 101 HB1 ALA 12 HB1 ALA 12 18.885 5.174 -8.133 102 HB2 ALA 12 HB2 ALA 12 17.682 5.243 -6.845 103 HB3 ALA 12 HB3 ALA 12 18.352 6.734 -7.505 104 H LYS 13 H LYS 13 19.334 7.811 -4.904 105 HA LYS 13 HA LYS 13 20.966 9.544 -6.460 106 HB2 LYS 13 HB2 LYS 13 20.390 11.239 -4.912 107 HB3 LYS 13 HB3 LYS 13 18.975 10.202 -5.028 108 HG2 LYS 13 HG2 LYS 13 19.021 10.259 -2.796 109 HG3 LYS 13 HG3 LYS 13 20.300 9.054 -2.956 110 HD2 LYS 13 HD2 LYS 13 21.329 10.581 -1.585 111 HD3 LYS 13 HD3 LYS 13 21.832 11.180 -3.167 112 HE2 LYS 13 HE2 LYS 13 19.332 12.191 -1.860 113 HE3 LYS 13 HE3 LYS 13 20.907 12.853 -1.427 114 HZ1 LYS 13 HZ1 LYS 13 19.397 13.121 -3.907 115 HZ2 LYS 13 HZ2 LYS 13 21.079 13.007 -4.049 116 HZ3 LYS 13 HZ3 LYS 13 20.391 14.241 -3.118 117 H TYR 14 H TYR 14 21.548 7.472 -3.750 118 HA TYR 14 HA TYR 14 23.859 8.707 -2.714 119 HB2 TYR 14 HB2 TYR 14 22.662 5.978 -2.557 120 HB3 TYR 14 HB3 TYR 14 24.330 6.187 -2.033 121 HD1 TYR 14 HD1 TYR 14 20.833 7.139 -1.378 122 HD2 TYR 14 HD2 TYR 14 24.854 7.353 -0.003 123 HE1 TYR 14 HE1 TYR 14 20.037 7.950 0.803 124 HE2 TYR 14 HE2 TYR 14 24.069 8.164 2.182 125 HH TYR 14 HH TYR 14 22.122 9.286 3.138 126 H GLY 15 H GLY 15 23.312 6.809 -5.543 127 HA2 GLY 15 HA2 GLY 15 25.104 7.132 -7.250 128 HA3 GLY 15 HA3 GLY 15 26.231 6.663 -5.986 129 H SER 16 H SER 16 23.134 5.102 -6.343 130 HA SER 16 HA SER 16 22.590 2.917 -6.697 131 HB2 SER 16 HB2 SER 16 24.665 3.254 -8.875 132 HB3 SER 16 HB3 SER 16 23.522 1.916 -8.774 133 HG SER 16 HG SER 16 23.124 4.199 -9.943 134 H LYS 17 H LYS 17 24.645 3.430 -4.736 135 HA LYS 17 HA LYS 17 26.196 0.932 -4.933 136 HB2 LYS 17 HB2 LYS 17 27.854 1.956 -3.464 137 HB3 LYS 17 HB3 LYS 17 27.611 2.940 -4.901 138 HG2 LYS 17 HG2 LYS 17 25.882 4.175 -3.336 139 HG3 LYS 17 HG3 LYS 17 26.913 3.501 -2.071 140 HD2 LYS 17 HD2 LYS 17 28.169 4.911 -4.384 141 HD3 LYS 17 HD3 LYS 17 27.424 5.860 -3.095 142 HE2 LYS 17 HE2 LYS 17 28.858 4.860 -1.452 143 HE3 LYS 17 HE3 LYS 17 29.496 3.720 -2.635 144 HZ1 LYS 17 HZ1 LYS 17 29.853 6.350 -3.577 145 HZ2 LYS 17 HZ2 LYS 17 31.028 5.189 -3.213 146 HZ3 LYS 17 HZ3 LYS 17 30.477 6.241 -2.008 147 H ALA 18 H ALA 18 24.027 2.855 -3.017 148 HA ALA 18 HA ALA 18 24.192 0.982 -0.776 149 HB1 ALA 18 HB1 ALA 18 22.872 3.663 -1.101 150 HB2 ALA 18 HB2 ALA 18 22.595 2.628 0.300 151 HB3 ALA 18 HB3 ALA 18 24.217 3.225 -0.049 152 H VAL 19 H VAL 19 22.183 1.825 -3.460 153 HA VAL 19 HA VAL 19 19.750 0.705 -2.505 154 HB VAL 19 HB VAL 19 19.756 2.305 -4.345 155 HG11 VAL 19 HG11 VAL 19 21.880 1.597 -5.373 156 HG12 VAL 19 HG12 VAL 19 21.085 0.141 -5.973 157 HG13 VAL 19 HG13 VAL 19 20.574 1.727 -6.550 158 HG21 VAL 19 HG21 VAL 19 17.842 1.399 -5.014 159 HG22 VAL 19 HG22 VAL 19 18.706 0.178 -5.947 160 HG23 VAL 19 HG23 VAL 19 18.323 -0.117 -4.251 161 H GLN 20 H GLN 20 22.507 -0.570 -4.275 162 HA GLN 20 HA GLN 20 21.425 -2.994 -5.130 163 HB2 GLN 20 HB2 GLN 20 23.702 -1.951 -5.685 164 HB3 GLN 20 HB3 GLN 20 24.270 -2.690 -4.194 165 HG2 GLN 20 HG2 GLN 20 24.790 -4.057 -6.145 166 HG3 GLN 20 HG3 GLN 20 23.705 -4.889 -5.032 167 HE21 GLN 20 HE21 GLN 20 23.477 -2.676 -7.802 168 HE22 GLN 20 HE22 GLN 20 22.206 -3.532 -8.598 169 H TRP 21 H TRP 21 22.704 -2.027 -2.012 170 HA TRP 21 HA TRP 21 23.050 -4.487 -0.792 171 HB2 TRP 21 HB2 TRP 21 23.632 -2.265 0.197 172 HB3 TRP 21 HB3 TRP 21 21.921 -2.013 0.531 173 HD1 TRP 21 HD1 TRP 21 24.586 -4.718 1.381 174 HE1 TRP 21 HE1 TRP 21 24.173 -5.492 3.800 175 HE3 TRP 21 HE3 TRP 21 20.463 -1.889 2.445 176 HZ2 TRP 21 HZ2 TRP 21 22.341 -4.973 5.884 177 HZ3 TRP 21 HZ3 TRP 21 19.440 -2.087 4.674 178 HH2 TRP 21 HH2 TRP 21 20.361 -3.598 6.356 179 H ALA 22 H ALA 22 20.122 -2.453 -0.579 180 HA ALA 22 HA ALA 22 18.487 -4.256 0.730 181 HB1 ALA 22 HB1 ALA 22 17.505 -2.205 0.603 182 HB2 ALA 22 HB2 ALA 22 18.004 -1.945 -1.069 183 HB3 ALA 22 HB3 ALA 22 16.644 -3.010 -0.710 184 H TRP 23 H TRP 23 18.608 -3.710 -2.797 185 HA TRP 23 HA TRP 23 16.885 -5.726 -3.571 186 HB2 TRP 23 HB2 TRP 23 19.246 -4.443 -4.912 187 HB3 TRP 23 HB3 TRP 23 18.387 -5.763 -5.700 188 HD1 TRP 23 HD1 TRP 23 18.003 -2.098 -4.727 189 HE1 TRP 23 HE1 TRP 23 15.932 -1.136 -5.915 190 HE3 TRP 23 HE3 TRP 23 16.081 -6.430 -6.645 191 HZ2 TRP 23 HZ2 TRP 23 13.769 -2.087 -7.459 192 HZ3 TRP 23 HZ3 TRP 23 14.008 -6.317 -7.965 193 HH2 TRP 23 HH2 TRP 23 12.877 -4.190 -8.363 194 H ALA 24 H ALA 24 20.277 -5.924 -2.686 195 HA ALA 24 HA ALA 24 20.677 -8.600 -3.561 196 HB1 ALA 24 HB1 ALA 24 22.690 -7.564 -3.324 197 HB2 ALA 24 HB2 ALA 24 22.182 -6.656 -1.900 198 HB3 ALA 24 HB3 ALA 24 22.601 -8.362 -1.754 199 H ASN 25 H ASN 25 20.431 -7.283 -0.249 200 HA ASN 25 HA ASN 25 19.735 -9.934 0.738 201 HB2 ASN 25 HB2 ASN 25 20.117 -7.370 2.297 202 HB3 ASN 25 HB3 ASN 25 20.039 -9.002 2.955 203 HD21 ASN 25 HD21 ASN 25 21.956 -6.715 1.171 204 HD22 ASN 25 HD22 ASN 25 23.456 -7.561 1.309 205 H LYS 26 H LYS 26 17.657 -10.441 0.386 206 HA LYS 26 HA LYS 26 15.581 -8.422 0.756 207 HB2 LYS 26 HB2 LYS 26 15.383 -11.280 -0.214 208 HB3 LYS 26 HB3 LYS 26 14.065 -10.117 -0.187 209 HG2 LYS 26 HG2 LYS 26 14.965 -8.862 -1.919 210 HG3 LYS 26 HG3 LYS 26 16.583 -9.531 -1.692 211 HD2 LYS 26 HD2 LYS 26 15.819 -10.592 -3.621 212 HD3 LYS 26 HD3 LYS 26 15.513 -11.779 -2.351 213 HE2 LYS 26 HE2 LYS 26 13.562 -11.726 -3.682 214 HE3 LYS 26 HE3 LYS 26 13.173 -10.834 -2.212 215 HZ1 LYS 26 HZ1 LYS 26 14.125 -9.443 -4.637 216 HZ2 LYS 26 HZ2 LYS 26 13.265 -8.811 -3.325 217 HZ3 LYS 26 HZ3 LYS 26 12.490 -9.826 -4.435 218 H GLY 27 H GLY 27 13.720 -8.829 2.091 219 HA2 GLY 27 HA2 GLY 27 12.592 -9.699 3.919 220 HA3 GLY 27 HA3 GLY 27 13.785 -10.987 4.001 221 H LYS 28 H LYS 28 14.765 -7.650 3.948 222 HA LYS 28 HA LYS 28 15.403 -7.823 6.820 223 HB2 LYS 28 HB2 LYS 28 17.363 -8.029 5.182 224 HB3 LYS 28 HB3 LYS 28 17.081 -6.333 4.809 225 HG2 LYS 28 HG2 LYS 28 18.752 -6.264 6.411 226 HG3 LYS 28 HG3 LYS 28 17.285 -5.958 7.344 227 HD2 LYS 28 HD2 LYS 28 17.302 -8.075 8.299 228 HD3 LYS 28 HD3 LYS 28 18.321 -8.749 7.026 229 HE2 LYS 28 HE2 LYS 28 19.794 -8.581 8.800 230 HE3 LYS 28 HE3 LYS 28 20.099 -7.086 7.918 231 HZ1 LYS 28 HZ1 LYS 28 18.073 -7.039 10.027 232 HZ2 LYS 28 HZ2 LYS 28 19.145 -5.828 9.533 233 HZ3 LYS 28 HZ3 LYS 28 19.697 -7.101 10.500 234 H ILE 29 H ILE 29 14.940 -5.565 4.109 235 HA ILE 29 HA ILE 29 14.299 -3.407 5.943 236 HB ILE 29 HB ILE 29 14.174 -3.378 2.928 237 HG12 ILE 29 HG12 ILE 29 16.429 -2.009 3.531 238 HG13 ILE 29 HG13 ILE 29 16.452 -3.215 4.813 239 HG21 ILE 29 HG21 ILE 29 13.480 -1.280 3.125 240 HG22 ILE 29 HG22 ILE 29 13.359 -1.518 4.867 241 HG23 ILE 29 HG23 ILE 29 14.848 -0.885 4.165 242 HD11 ILE 29 HD11 ILE 29 17.359 -3.506 2.202 243 HD12 ILE 29 HD12 ILE 29 17.166 -4.772 3.415 244 HD13 ILE 29 HD13 ILE 29 15.862 -4.435 2.276 245 H LEU 30 H LEU 30 12.664 -5.690 3.894 246 HA LEU 30 HA LEU 30 10.209 -4.441 3.527 247 HB2 LEU 30 HB2 LEU 30 11.130 -7.261 3.658 248 HB3 LEU 30 HB3 LEU 30 9.395 -6.959 3.730 249 HG LEU 30 HG LEU 30 10.254 -7.499 1.457 250 HD11 LEU 30 HD11 LEU 30 8.457 -6.401 0.774 251 HD12 LEU 30 HD12 LEU 30 9.340 -4.877 0.844 252 HD13 LEU 30 HD13 LEU 30 8.471 -5.457 2.264 253 HD21 LEU 30 HD21 LEU 30 12.423 -6.329 1.705 254 HD22 LEU 30 HD22 LEU 30 11.565 -4.789 1.631 255 HD23 LEU 30 HD23 LEU 30 11.550 -5.876 0.241 256 H ASP 31 H ASP 31 11.596 -5.834 6.373 257 HA ASP 31 HA ASP 31 9.101 -6.040 7.804 258 HB2 ASP 31 HB2 ASP 31 11.973 -6.544 8.421 259 HB3 ASP 31 HB3 ASP 31 10.883 -6.243 9.772 260 H TRP 32 H TRP 32 11.873 -3.841 7.756 261 HA TRP 32 HA TRP 32 11.228 -2.204 9.889 262 HB2 TRP 32 HB2 TRP 32 12.554 -1.565 7.253 263 HB3 TRP 32 HB3 TRP 32 12.415 -0.390 8.558 264 HD1 TRP 32 HD1 TRP 32 13.004 -2.754 10.842 265 HE1 TRP 32 HE1 TRP 32 15.467 -3.412 11.199 266 HE3 TRP 32 HE3 TRP 32 14.950 -1.032 6.440 267 HZ2 TRP 32 HZ2 TRP 32 17.911 -3.226 9.799 268 HZ3 TRP 32 HZ3 TRP 32 17.360 -1.310 6.026 269 HH2 TRP 32 HH2 TRP 32 18.808 -2.385 7.673 270 H LEU 33 H LEU 33 9.837 -2.322 6.683 271 HA LEU 33 HA LEU 33 8.554 0.116 6.525 272 HB2 LEU 33 HB2 LEU 33 7.780 -2.618 5.562 273 HB3 LEU 33 HB3 LEU 33 6.766 -1.211 5.248 274 HG LEU 33 HG LEU 33 9.611 -1.591 4.316 275 HD11 LEU 33 HD11 LEU 33 7.534 -2.861 3.280 276 HD12 LEU 33 HD12 LEU 33 8.815 -2.191 2.270 277 HD13 LEU 33 HD13 LEU 33 7.301 -1.310 2.474 278 HD21 LEU 33 HD21 LEU 33 7.652 0.661 3.893 279 HD22 LEU 33 HD22 LEU 33 9.155 0.460 2.992 280 HD23 LEU 33 HD23 LEU 33 9.200 0.739 4.734 281 H ASN 34 H ASN 34 7.168 -2.905 7.826 282 HA ASN 34 HA ASN 34 4.784 -1.787 8.763 283 HB2 ASN 34 HB2 ASN 34 6.282 -4.161 9.898 284 HB3 ASN 34 HB3 ASN 34 4.576 -3.799 10.142 285 HD21 ASN 34 HD21 ASN 34 6.991 -4.798 7.830 286 HD22 ASN 34 HD22 ASN 34 5.892 -5.473 6.680 287 H ALA 35 H ALA 35 7.904 -2.240 10.377 288 HA ALA 35 HA ALA 35 6.909 -0.865 12.755 289 HB1 ALA 35 HB1 ALA 35 9.641 -2.055 12.317 290 HB2 ALA 35 HB2 ALA 35 8.905 -1.585 13.849 291 HB3 ALA 35 HB3 ALA 35 8.263 -2.957 12.947 292 H GLY 36 H GLY 36 7.127 0.675 10.371 293 HA2 GLY 36 HA2 GLY 36 7.863 3.078 10.858 294 HA3 GLY 36 HA3 GLY 36 9.471 2.374 10.926 295 H GLN 37 H GLN 37 6.828 3.314 8.869 296 HA GLN 37 HA GLN 37 8.096 2.387 6.450 297 HB2 GLN 37 HB2 GLN 37 5.614 3.973 7.044 298 HB3 GLN 37 HB3 GLN 37 6.211 3.806 5.398 299 HG2 GLN 37 HG2 GLN 37 6.167 1.288 5.835 300 HG3 GLN 37 HG3 GLN 37 5.178 1.683 7.240 301 HE21 GLN 37 HE21 GLN 37 5.355 1.678 3.764 302 HE22 GLN 37 HE22 GLN 37 3.666 1.900 3.477 303 H ALA 38 H ALA 38 8.785 4.847 8.477 304 HA ALA 38 HA ALA 38 9.027 7.153 6.981 305 HB1 ALA 38 HB1 ALA 38 11.113 7.539 8.472 306 HB2 ALA 38 HB2 ALA 38 9.523 7.412 9.225 307 HB3 ALA 38 HB3 ALA 38 10.621 6.033 9.249 308 H ILE 39 H ILE 39 11.148 8.134 6.225 309 HA ILE 39 HA ILE 39 12.492 6.185 4.482 310 HB ILE 39 HB ILE 39 12.377 9.189 4.190 311 HG12 ILE 39 HG12 ILE 39 10.975 8.322 2.098 312 HG13 ILE 39 HG13 ILE 39 10.641 6.981 3.188 313 HG21 ILE 39 HG21 ILE 39 12.993 8.233 1.746 314 HG22 ILE 39 HG22 ILE 39 14.192 8.750 2.930 315 HG23 ILE 39 HG23 ILE 39 13.797 7.039 2.765 316 HD11 ILE 39 HD11 ILE 39 9.285 9.380 3.053 317 HD12 ILE 39 HD12 ILE 39 9.177 8.180 4.341 318 HD13 ILE 39 HD13 ILE 39 10.293 9.537 4.492 319 H ASP 40 H ASP 40 13.317 9.277 6.064 320 HA ASP 40 HA ASP 40 16.075 8.952 6.026 321 HB2 ASP 40 HB2 ASP 40 14.605 11.002 6.695 322 HB3 ASP 40 HB3 ASP 40 14.723 10.335 8.321 323 H TRP 41 H TRP 41 13.693 7.534 8.104 324 HA TRP 41 HA TRP 41 15.534 6.747 10.162 325 HB2 TRP 41 HB2 TRP 41 13.089 7.110 10.551 326 HB3 TRP 41 HB3 TRP 41 12.767 5.662 9.601 327 HD1 TRP 41 HD1 TRP 41 14.210 6.766 12.976 328 HE1 TRP 41 HE1 TRP 41 14.269 4.727 14.546 329 HE3 TRP 41 HE3 TRP 41 12.884 3.130 9.636 330 HZ2 TRP 41 HZ2 TRP 41 13.815 1.946 14.390 331 HZ3 TRP 41 HZ3 TRP 41 12.719 0.805 10.426 332 HH2 TRP 41 HH2 TRP 41 13.176 0.228 12.754 333 H VAL 42 H VAL 42 14.386 5.406 7.171 334 HA VAL 42 HA VAL 42 15.449 2.763 7.769 335 HB VAL 42 HB VAL 42 14.148 3.814 5.253 336 HG11 VAL 42 HG11 VAL 42 15.235 1.135 6.017 337 HG12 VAL 42 HG12 VAL 42 13.874 1.257 4.900 338 HG13 VAL 42 HG13 VAL 42 15.413 2.025 4.506 339 HG21 VAL 42 HG21 VAL 42 13.043 2.061 7.446 340 HG22 VAL 42 HG22 VAL 42 12.628 3.753 7.171 341 HG23 VAL 42 HG23 VAL 42 12.198 2.533 5.972 342 H VAL 43 H VAL 43 16.277 5.633 5.973 343 HA VAL 43 HA VAL 43 18.384 4.392 4.458 344 HB VAL 43 HB VAL 43 17.795 7.319 4.928 345 HG11 VAL 43 HG11 VAL 43 19.801 7.673 4.029 346 HG12 VAL 43 HG12 VAL 43 20.008 5.963 3.644 347 HG13 VAL 43 HG13 VAL 43 19.151 7.023 2.524 348 HG21 VAL 43 HG21 VAL 43 16.018 5.981 3.768 349 HG22 VAL 43 HG22 VAL 43 16.687 7.308 2.817 350 HG23 VAL 43 HG23 VAL 43 17.192 5.650 2.493 351 H SER 44 H SER 44 18.238 6.620 7.227 352 HA SER 44 HA SER 44 21.005 6.846 7.626 353 HB2 SER 44 HB2 SER 44 19.216 8.300 8.655 354 HB3 SER 44 HB3 SER 44 18.894 6.988 9.788 355 HG SER 44 HG SER 44 20.748 8.862 9.961 356 H LYS 45 H LYS 45 18.754 4.346 8.456 357 HA LYS 45 HA LYS 45 20.315 3.088 10.475 358 HB2 LYS 45 HB2 LYS 45 17.764 2.817 9.723 359 HB3 LYS 45 HB3 LYS 45 18.447 1.477 8.812 360 HG2 LYS 45 HG2 LYS 45 19.163 1.711 11.682 361 HG3 LYS 45 HG3 LYS 45 17.532 1.177 11.269 362 HD2 LYS 45 HD2 LYS 45 18.838 -0.419 9.626 363 HD3 LYS 45 HD3 LYS 45 20.155 -0.147 10.770 364 HE2 LYS 45 HE2 LYS 45 17.396 -1.121 11.503 365 HE3 LYS 45 HE3 LYS 45 18.809 -2.155 11.296 366 HZ1 LYS 45 HZ1 LYS 45 18.649 0.063 13.262 367 HZ2 LYS 45 HZ2 LYS 45 19.878 -1.091 13.128 368 HZ3 LYS 45 HZ3 LYS 45 18.332 -1.557 13.634 369 H ILE 46 H ILE 46 20.733 3.362 7.158 370 HA ILE 46 HA ILE 46 22.035 0.791 6.799 371 HB ILE 46 HB ILE 46 21.964 3.097 4.855 372 HG12 ILE 46 HG12 ILE 46 19.675 2.514 5.444 373 HG13 ILE 46 HG13 ILE 46 20.036 1.936 3.820 374 HG21 ILE 46 HG21 ILE 46 21.990 0.800 3.403 375 HG22 ILE 46 HG22 ILE 46 23.422 1.740 3.822 376 HG23 ILE 46 HG23 ILE 46 22.967 0.343 4.798 377 HD11 ILE 46 HD11 ILE 46 19.305 -0.053 4.442 378 HD12 ILE 46 HD12 ILE 46 20.681 -0.171 5.539 379 HD13 ILE 46 HD13 ILE 46 19.147 0.478 6.116 380 H LYS 47 H LYS 47 22.877 4.124 7.381 381 HA LYS 47 HA LYS 47 25.536 4.169 6.594 382 HB2 LYS 47 HB2 LYS 47 24.074 5.569 8.823 383 HB3 LYS 47 HB3 LYS 47 25.784 5.853 8.523 384 HG2 LYS 47 HG2 LYS 47 25.389 7.104 6.705 385 HG3 LYS 47 HG3 LYS 47 24.065 6.075 6.155 386 HD2 LYS 47 HD2 LYS 47 22.805 7.860 6.732 387 HD3 LYS 47 HD3 LYS 47 22.939 7.164 8.348 388 HE2 LYS 47 HE2 LYS 47 23.627 9.263 8.852 389 HE3 LYS 47 HE3 LYS 47 25.181 8.618 8.325 390 HZ1 LYS 47 HZ1 LYS 47 25.091 9.755 6.357 391 HZ2 LYS 47 HZ2 LYS 47 24.299 10.852 7.372 392 HZ3 LYS 47 HZ3 LYS 47 23.402 9.854 6.342 393 H GLN 48 H GLN 48 24.057 2.741 9.423 394 HA GLN 48 HA GLN 48 26.568 2.244 10.747 395 HB2 GLN 48 HB2 GLN 48 25.157 0.918 12.330 396 HB3 GLN 48 HB3 GLN 48 24.649 2.591 12.141 397 HG2 GLN 48 HG2 GLN 48 22.836 1.940 10.714 398 HG3 GLN 48 HG3 GLN 48 23.395 0.268 10.700 399 HE21 GLN 48 HE21 GLN 48 22.832 2.700 13.226 400 HE22 GLN 48 HE22 GLN 48 21.828 1.694 14.208 401 H ILE 49 H ILE 49 24.522 0.609 8.489 402 HA ILE 49 HA ILE 49 25.548 -2.022 8.959 403 HB ILE 49 HB ILE 49 24.118 -0.954 6.523 404 HG12 ILE 49 HG12 ILE 49 22.773 -0.677 8.547 405 HG13 ILE 49 HG13 ILE 49 22.102 -1.950 7.534 406 HG21 ILE 49 HG21 ILE 49 23.658 -3.719 7.016 407 HG22 ILE 49 HG22 ILE 49 24.411 -2.956 5.617 408 HG23 ILE 49 HG23 ILE 49 25.397 -3.430 6.999 409 HD11 ILE 49 HD11 ILE 49 22.044 -3.156 9.400 410 HD12 ILE 49 HD12 ILE 49 23.787 -3.329 9.194 411 HD13 ILE 49 HD13 ILE 49 23.143 -2.067 10.244 412 H LEU 50 H LEU 50 25.792 -0.045 6.003 413 HA LEU 50 HA LEU 50 28.158 -1.427 5.166 414 HB2 LEU 50 HB2 LEU 50 27.165 1.149 3.997 415 HB3 LEU 50 HB3 LEU 50 28.044 -0.155 3.202 416 HG LEU 50 HG LEU 50 25.202 -0.396 4.178 417 HD11 LEU 50 HD11 LEU 50 26.195 0.156 1.387 418 HD12 LEU 50 HD12 LEU 50 25.388 1.322 2.434 419 HD13 LEU 50 HD13 LEU 50 24.520 -0.106 1.872 420 HD21 LEU 50 HD21 LEU 50 26.115 -2.545 4.002 421 HD22 LEU 50 HD22 LEU 50 27.035 -2.133 2.554 422 HD23 LEU 50 HD23 LEU 50 25.280 -2.294 2.468 423 H GLY 51 H GLY 51 27.493 1.959 6.082 424 HA2 GLY 51 HA2 GLY 51 29.151 2.819 7.786 425 HA3 GLY 51 HA3 GLY 51 30.375 2.250 6.659 426 H ILE 52 H ILE 52 27.998 3.287 4.717 427 HA ILE 52 HA ILE 52 29.333 5.468 3.685 428 HB ILE 52 HB ILE 52 27.440 4.279 2.579 429 HG12 ILE 52 HG12 ILE 52 26.626 7.131 2.530 430 HG13 ILE 52 HG13 ILE 52 28.322 6.798 2.193 431 HG21 ILE 52 HG21 ILE 52 25.318 5.940 3.536 432 HG22 ILE 52 HG22 ILE 52 25.429 4.180 3.510 433 HG23 ILE 52 HG23 ILE 52 26.051 5.082 4.891 434 HD11 ILE 52 HD11 ILE 52 27.540 5.168 0.451 435 HD12 ILE 52 HD12 ILE 52 25.916 5.810 0.696 436 HD13 ILE 52 HD13 ILE 52 27.204 6.866 0.118 437 H LYS 53 H LYS 53 29.039 7.720 3.826 438 HA LYS 53 HA LYS 53 27.616 8.677 6.215 439 HB2 LYS 53 HB2 LYS 53 29.505 10.321 6.530 440 HB3 LYS 53 HB3 LYS 53 29.896 8.646 6.894 441 HG2 LYS 53 HG2 LYS 53 31.006 8.416 4.745 442 HG3 LYS 53 HG3 LYS 53 30.578 10.079 4.334 443 HD2 LYS 53 HD2 LYS 53 31.806 10.565 6.634 444 HD3 LYS 53 HD3 LYS 53 32.617 9.048 6.237 445 HE2 LYS 53 HE2 LYS 53 33.541 9.917 4.281 446 HE3 LYS 53 HE3 LYS 53 32.385 11.246 4.214 447 HZ1 LYS 53 HZ1 LYS 53 34.929 11.149 5.467 448 HZ2 LYS 53 HZ2 LYS 53 33.735 11.548 6.596 449 HZ3 LYS 53 HZ3 LYS 53 33.922 12.481 5.197
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