NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
631407 | 6bb6 | 30354 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 12.589 22.027 13.054 2 H2 GLY 1 H2 GLY 1 12.621 21.487 14.612 3 H3 GLY 1 H3 GLY 1 13.515 20.730 13.447 4 HA2 GLY 1 HA2 GLY 1 14.914 22.081 14.861 5 HA3 GLY 1 HA3 GLY 1 14.917 22.638 13.179 6 H MET 2 H MET 2 15.533 24.174 15.572 7 HA MET 2 HA MET 2 13.787 26.488 15.056 8 HB2 MET 2 HB2 MET 2 12.716 25.166 16.936 9 HB3 MET 2 HB3 MET 2 14.202 25.385 17.860 10 HG2 MET 2 HG2 MET 2 13.823 27.922 17.593 11 HG3 MET 2 HG3 MET 2 12.252 27.502 16.902 12 HE1 MET 2 HE1 MET 2 14.378 28.089 20.091 13 HE2 MET 2 HE2 MET 2 13.638 26.996 21.281 14 HE3 MET 2 HE3 MET 2 14.531 26.330 19.900 15 H ALA 3 H ALA 3 14.861 28.467 15.378 16 HA ALA 3 HA ALA 3 17.731 28.468 15.742 17 HB1 ALA 3 HB1 ALA 3 17.475 30.913 15.607 18 HB2 ALA 3 HB2 ALA 3 16.574 30.095 14.314 19 HB3 ALA 3 HB3 ALA 3 15.712 30.749 15.730 20 H CYS 4 H CYS 4 18.932 28.709 17.505 21 HA CYS 4 HA CYS 4 19.559 28.597 19.648 22 HB2 CYS 4 HB2 CYS 4 19.611 30.920 19.376 23 HB3 CYS 4 HB3 CYS 4 17.885 31.088 19.692 24 H GLN 5 H GLN 5 18.432 26.531 19.749 25 HA GLN 5 HA GLN 5 16.218 26.290 21.661 26 HB2 GLN 5 HB2 GLN 5 16.745 24.691 19.736 27 HB3 GLN 5 HB3 GLN 5 18.137 24.156 20.661 28 HG2 GLN 5 HG2 GLN 5 16.473 22.570 21.146 29 HG3 GLN 5 HG3 GLN 5 16.464 23.609 22.569 30 HE21 GLN 5 HE21 GLN 5 13.227 23.673 19.983 31 HE22 GLN 5 HE22 GLN 5 14.741 23.019 19.393 32 H PHE 6 H PHE 6 17.143 27.694 23.265 33 HA PHE 6 HA PHE 6 19.615 27.741 24.355 34 HB2 PHE 6 HB2 PHE 6 18.694 28.916 26.219 35 HB3 PHE 6 HB3 PHE 6 17.812 29.367 24.771 36 HD1 PHE 6 HD1 PHE 6 15.431 28.541 24.446 37 HD2 PHE 6 HD2 PHE 6 17.629 27.819 28.094 38 HE1 PHE 6 HE1 PHE 6 13.322 27.944 25.611 39 HE2 PHE 6 HE2 PHE 6 15.512 27.250 29.252 40 HZ PHE 6 HZ PHE 6 13.363 27.305 28.010 41 H TRP 7 H TRP 7 17.076 25.637 25.799 42 HA TRP 7 HA TRP 7 18.795 24.688 27.898 43 HB2 TRP 7 HB2 TRP 7 16.963 23.134 28.291 44 HB3 TRP 7 HB3 TRP 7 16.335 24.739 27.986 45 HD1 TRP 7 HD1 TRP 7 14.779 25.057 25.851 46 HE1 TRP 7 HE1 TRP 7 13.868 23.503 24.036 47 HE3 TRP 7 HE3 TRP 7 17.444 20.837 27.003 48 HZ2 TRP 7 HZ2 TRP 7 14.291 20.771 23.145 49 HZ3 TRP 7 HZ3 TRP 7 17.268 18.823 25.600 50 HH2 TRP 7 HH2 TRP 7 15.687 18.761 23.662 51 H SER 8 H SER 8 18.357 23.669 24.549 52 HA SER 8 HA SER 8 19.718 21.108 24.765 53 HB2 SER 8 HB2 SER 8 18.067 21.742 22.999 54 HB3 SER 8 HB3 SER 8 19.273 22.842 22.313 55 HG SER 8 HG SER 8 19.200 20.810 21.300 56 H CYS 9 H CYS 9 20.780 24.485 24.348 57 HA CYS 9 HA CYS 9 23.568 23.831 23.893 58 HB2 CYS 9 HB2 CYS 9 22.173 26.310 24.982 59 HB3 CYS 9 HB3 CYS 9 23.879 26.175 24.725 60 H ASN 10 H ASN 10 21.542 24.597 26.791 61 HA ASN 10 HA ASN 10 23.542 24.517 28.748 62 HB2 ASN 10 HB2 ASN 10 21.060 25.175 28.953 63 HB3 ASN 10 HB3 ASN 10 20.710 23.470 29.185 64 HD21 ASN 10 HD21 ASN 10 21.645 23.569 32.581 65 HD22 ASN 10 HD22 ASN 10 20.978 22.608 31.270 66 H SER 11 H SER 11 21.473 21.736 27.781 67 HA SER 11 HA SER 11 22.738 19.816 29.412 68 HB2 SER 11 HB2 SER 11 20.528 19.716 28.131 69 HB3 SER 11 HB3 SER 11 21.473 19.290 26.698 70 HG SER 11 HG SER 11 20.911 17.879 29.026 71 H SER 12 H SER 12 23.652 20.935 26.167 72 HA SER 12 HA SER 12 25.699 18.940 25.686 73 HB2 SER 12 HB2 SER 12 24.557 20.112 23.883 74 HB3 SER 12 HB3 SER 12 25.180 21.669 24.452 75 HG SER 12 HG SER 12 26.641 19.461 23.407 76 H CYS 13 H CYS 13 25.857 22.375 26.812 77 HA CYS 13 HA CYS 13 28.673 22.486 27.170 78 HB2 CYS 13 HB2 CYS 13 26.370 23.864 28.592 79 HB3 CYS 13 HB3 CYS 13 28.057 24.299 28.844 80 H ILE 14 H ILE 14 26.122 21.295 29.424 81 HA ILE 14 HA ILE 14 27.892 20.708 31.604 82 HB ILE 14 HB ILE 14 25.162 19.678 30.782 83 HG12 ILE 14 HG12 ILE 14 25.994 21.417 33.162 84 HG13 ILE 14 HG13 ILE 14 25.592 22.103 31.601 85 HG21 ILE 14 HG21 ILE 14 26.692 19.004 33.345 86 HG22 ILE 14 HG22 ILE 14 24.968 18.681 33.073 87 HG23 ILE 14 HG23 ILE 14 26.163 17.858 32.092 88 HD11 ILE 14 HD11 ILE 14 23.660 22.246 32.993 89 HD12 ILE 14 HD12 ILE 14 23.329 21.066 31.705 90 HD13 ILE 14 HD13 ILE 14 23.702 20.515 33.356 91 H SER 15 H SER 15 27.204 18.887 28.641 92 HA SER 15 HA SER 15 28.597 16.485 29.448 93 HB2 SER 15 HB2 SER 15 26.963 16.913 27.463 94 HB3 SER 15 HB3 SER 15 28.399 17.430 26.579 95 HG SER 15 HG SER 15 29.330 15.401 26.957 96 H ARG 16 H ARG 16 29.660 19.343 27.514 97 HA ARG 16 HA ARG 16 32.446 18.665 27.337 98 HB2 ARG 16 HB2 ARG 16 31.227 21.435 27.484 99 HB3 ARG 16 HB3 ARG 16 32.780 21.011 26.780 100 HG2 ARG 16 HG2 ARG 16 30.015 20.405 25.671 101 HG3 ARG 16 HG3 ARG 16 31.209 21.540 25.097 102 HD2 ARG 16 HD2 ARG 16 31.506 19.817 23.587 103 HD3 ARG 16 HD3 ARG 16 32.746 19.438 24.770 104 HE ARG 16 HE ARG 16 31.393 17.643 25.621 105 HH11 ARG 16 HH11 ARG 16 29.597 19.234 23.065 106 HH12 ARG 16 HH12 ARG 16 28.589 17.826 22.830 107 HH21 ARG 16 HH21 ARG 16 30.368 15.803 24.937 108 HH22 ARG 16 HH22 ARG 16 29.251 15.855 23.596 109 H GLY 17 H GLY 17 30.719 19.742 30.076 110 HA2 GLY 17 HA2 GLY 17 31.762 19.210 32.212 111 HA3 GLY 17 HA3 GLY 17 33.293 19.851 31.629 112 H TYR 18 H TYR 18 30.610 21.872 30.846 113 HA TYR 18 HA TYR 18 31.402 23.902 32.840 114 HB2 TYR 18 HB2 TYR 18 29.388 23.984 30.588 115 HB3 TYR 18 HB3 TYR 18 29.891 25.347 31.561 116 HD1 TYR 18 HD1 TYR 18 30.689 23.309 28.669 117 HD2 TYR 18 HD2 TYR 18 32.314 26.145 31.480 118 HE1 TYR 18 HE1 TYR 18 32.481 23.869 27.050 119 HE2 TYR 18 HE2 TYR 18 34.110 26.703 29.849 120 HH TYR 18 HH TYR 18 34.186 25.311 26.554 121 H ARG 19 H ARG 19 29.657 25.135 33.987 122 HA ARG 19 HA ARG 19 27.693 23.305 35.282 123 HB2 ARG 19 HB2 ARG 19 28.570 26.157 35.830 124 HB3 ARG 19 HB3 ARG 19 27.239 25.368 36.690 125 HG2 ARG 19 HG2 ARG 19 28.711 23.572 37.459 126 HG3 ARG 19 HG3 ARG 19 30.074 24.250 36.549 127 HD2 ARG 19 HD2 ARG 19 29.960 26.315 37.905 128 HD3 ARG 19 HD3 ARG 19 28.611 25.625 38.835 129 HE ARG 19 HE ARG 19 30.744 23.760 38.907 130 HH11 ARG 19 HH11 ARG 19 30.187 27.018 40.121 131 HH12 ARG 19 HH12 ARG 19 31.321 26.779 41.455 132 HH21 ARG 19 HH21 ARG 19 31.838 23.479 40.808 133 HH22 ARG 19 HH22 ARG 19 32.143 24.830 41.856 134 H GLN 20 H GLN 20 27.616 25.922 32.932 135 HA GLN 20 HA GLN 20 24.827 25.178 32.328 136 HB2 GLN 20 HB2 GLN 20 25.661 27.927 33.325 137 HB3 GLN 20 HB3 GLN 20 24.382 27.758 32.134 138 HG2 GLN 20 HG2 GLN 20 23.349 26.013 33.827 139 HG3 GLN 20 HG3 GLN 20 24.396 26.812 34.998 140 HE21 GLN 20 HE21 GLN 20 21.569 28.950 35.457 141 HE22 GLN 20 HE22 GLN 20 22.565 27.675 36.163 142 H GLY 21 H GLY 21 24.009 26.127 30.402 143 HA2 GLY 21 HA2 GLY 21 25.881 27.442 28.556 144 HA3 GLY 21 HA3 GLY 21 25.141 25.935 27.991 145 H LYS 22 H LYS 22 24.881 28.704 27.028 146 HA LYS 22 HA LYS 22 21.931 28.864 26.777 147 HB2 LYS 22 HB2 LYS 22 23.592 31.154 27.922 148 HB3 LYS 22 HB3 LYS 22 21.946 31.326 27.388 149 HG2 LYS 22 HG2 LYS 22 22.828 29.581 29.721 150 HG3 LYS 22 HG3 LYS 22 22.128 31.177 29.831 151 HD2 LYS 22 HD2 LYS 22 20.005 30.475 29.029 152 HD3 LYS 22 HD3 LYS 22 20.585 28.890 28.517 153 HE2 LYS 22 HE2 LYS 22 20.912 29.684 31.408 154 HE3 LYS 22 HE3 LYS 22 19.294 29.267 30.848 155 HZ1 LYS 22 HZ1 LYS 22 20.693 27.403 31.779 156 HZ2 LYS 22 HZ2 LYS 22 19.970 27.080 30.355 157 HZ3 LYS 22 HZ3 LYS 22 21.576 27.435 30.390 158 H CYS 23 H CYS 23 21.357 30.799 25.287 159 HA CYS 23 HA CYS 23 23.402 31.552 23.341 160 HB2 CYS 23 HB2 CYS 23 22.254 30.591 21.402 161 HB3 CYS 23 HB3 CYS 23 22.810 29.349 22.506 162 H TRP 24 H TRP 24 22.485 32.824 21.559 163 HA TRP 24 HA TRP 24 19.777 33.808 21.632 164 HB2 TRP 24 HB2 TRP 24 20.382 36.254 21.788 165 HB3 TRP 24 HB3 TRP 24 20.338 35.342 23.274 166 HD1 TRP 24 HD1 TRP 24 22.435 35.232 24.736 167 HE1 TRP 24 HE1 TRP 24 24.686 36.423 24.744 168 HE3 TRP 24 HE3 TRP 24 22.368 37.055 19.945 169 HZ2 TRP 24 HZ2 TRP 24 26.282 37.990 22.882 170 HZ3 TRP 24 HZ3 TRP 24 24.285 38.377 19.083 171 HH2 TRP 24 HH2 TRP 24 26.232 38.875 20.544 172 H GLY 25 H GLY 25 22.957 33.683 20.123 173 HA2 GLY 25 HA2 GLY 25 22.067 35.007 17.677 174 HA3 GLY 25 HA3 GLY 25 23.580 34.154 17.920 175 H ILE 26 H ILE 26 21.500 34.079 15.771 176 HA ILE 26 HA ILE 26 20.158 31.516 16.035 177 HB ILE 26 HB ILE 26 18.960 32.086 14.067 178 HG12 ILE 26 HG12 ILE 26 20.948 34.347 13.625 179 HG13 ILE 26 HG13 ILE 26 20.716 32.919 12.622 180 HG21 ILE 26 HG21 ILE 26 19.300 34.649 15.668 181 HG22 ILE 26 HG22 ILE 26 17.857 34.060 14.829 182 HG23 ILE 26 HG23 ILE 26 18.438 33.212 16.262 183 HD11 ILE 26 HD11 ILE 26 19.645 34.766 11.534 184 HD12 ILE 26 HD12 ILE 26 18.372 33.682 12.133 185 HD13 ILE 26 HD13 ILE 26 18.740 35.199 12.989 186 H GLN 27 H GLN 27 23.297 32.003 14.971 187 HA GLN 27 HA GLN 27 23.384 30.274 12.684 188 HB2 GLN 27 HB2 GLN 27 25.191 31.831 13.318 189 HB3 GLN 27 HB3 GLN 27 25.497 30.881 14.764 190 HG2 GLN 27 HG2 GLN 27 27.179 30.371 13.112 191 HG3 GLN 27 HG3 GLN 27 26.188 28.950 13.374 192 HE21 GLN 27 HE21 GLN 27 26.117 28.789 9.806 193 HE22 GLN 27 HE22 GLN 27 26.641 28.008 11.305 194 H TYR 28 H TYR 28 23.666 28.049 12.483 195 HA TYR 28 HA TYR 28 22.417 26.483 14.437 196 HB2 TYR 28 HB2 TYR 28 22.548 25.881 12.069 197 HB3 TYR 28 HB3 TYR 28 24.249 25.445 12.278 198 HD1 TYR 28 HD1 TYR 28 20.762 24.640 13.351 199 HD2 TYR 28 HD2 TYR 28 24.852 23.262 13.161 200 HE1 TYR 28 HE1 TYR 28 20.039 22.385 14.116 201 HE2 TYR 28 HE2 TYR 28 24.115 21.013 13.918 202 HH TYR 28 HH TYR 28 22.394 19.777 14.785 203 H LYS 29 H LYS 29 22.913 25.428 16.068 204 HA LYS 29 HA LYS 29 23.902 25.070 18.080 205 HB2 LYS 29 HB2 LYS 29 25.787 23.626 16.183 206 HB3 LYS 29 HB3 LYS 29 25.842 23.385 17.926 207 HG2 LYS 29 HG2 LYS 29 23.336 22.913 16.272 208 HG3 LYS 29 HG3 LYS 29 24.523 21.662 16.664 209 HD2 LYS 29 HD2 LYS 29 24.111 22.003 19.078 210 HD3 LYS 29 HD3 LYS 29 22.929 23.277 18.705 211 HE2 LYS 29 HE2 LYS 29 21.591 21.627 17.393 212 HE3 LYS 29 HE3 LYS 29 22.725 20.354 17.874 213 HZ1 LYS 29 HZ1 LYS 29 22.140 20.840 20.207 214 HZ2 LYS 29 HZ2 LYS 29 21.058 21.979 19.715 215 HZ3 LYS 29 HZ3 LYS 29 20.811 20.406 19.331 216 H TYR 30 H TYR 30 24.760 27.660 16.960 217 HA TYR 30 HA TYR 30 27.338 28.100 18.348 218 HB2 TYR 30 HB2 TYR 30 25.431 29.830 16.817 219 HB3 TYR 30 HB3 TYR 30 26.401 30.569 18.064 220 HD1 TYR 30 HD1 TYR 30 27.604 27.750 15.872 221 HD2 TYR 30 HD2 TYR 30 27.791 31.967 16.780 222 HE1 TYR 30 HE1 TYR 30 29.637 27.978 14.461 223 HE2 TYR 30 HE2 TYR 30 29.792 32.186 15.327 224 HH TYR 30 HH TYR 30 31.027 31.090 13.621 225 H CYS 31 H CYS 31 27.150 27.407 20.308 226 HA CYS 31 HA CYS 31 25.188 28.603 22.234 227 HB2 CYS 31 HB2 CYS 31 26.639 25.925 22.225 228 HB3 CYS 31 HB3 CYS 31 25.628 26.505 23.531 229 H GLN 32 H GLN 32 26.029 29.456 24.146 230 HA GLN 32 HA GLN 32 29.002 29.317 24.538 231 HB2 GLN 32 HB2 GLN 32 27.089 31.512 25.394 232 HB3 GLN 32 HB3 GLN 32 28.743 31.374 25.937 233 HG2 GLN 32 HG2 GLN 32 27.875 31.730 23.050 234 HG3 GLN 32 HG3 GLN 32 28.517 32.990 24.112 235 HE21 GLN 32 HE21 GLN 32 31.385 31.963 22.056 236 HE22 GLN 32 HE22 GLN 32 29.857 32.799 21.777 237 H CYS 33 H CYS 33 29.768 29.188 26.638 238 HA CYS 33 HA CYS 33 28.041 27.613 28.492 239 HB2 CYS 33 HB2 CYS 33 30.808 26.745 27.626 240 HB3 CYS 33 HB3 CYS 33 29.659 25.895 28.637 241 H TYR 34 H TYR 34 28.658 27.642 30.626 242 HA TYR 34 HA TYR 34 30.684 29.723 31.361 243 HB2 TYR 34 HB2 TYR 34 28.073 29.161 32.779 244 HB3 TYR 34 HB3 TYR 34 29.187 30.518 33.012 245 HD1 TYR 34 HD1 TYR 34 26.391 29.225 31.104 246 HD2 TYR 34 HD2 TYR 34 29.536 32.172 31.080 247 HE1 TYR 34 HE1 TYR 34 25.221 30.464 29.283 248 HE2 TYR 34 HE2 TYR 34 28.348 33.426 29.286 249 HH TYR 34 HH TYR 34 26.316 33.635 28.179 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 18.139 30.484 10.117 2 H2 GLY 1 H2 GLY 1 17.344 29.679 8.922 3 H3 GLY 1 H3 GLY 1 17.509 28.991 10.406 4 HA2 GLY 1 HA2 GLY 1 15.954 31.423 9.828 5 HA3 GLY 1 HA3 GLY 1 15.268 29.807 10.114 6 H MET 2 H MET 2 14.780 29.277 12.179 7 HA MET 2 HA MET 2 15.134 31.104 14.355 8 HB2 MET 2 HB2 MET 2 14.402 28.145 14.337 9 HB3 MET 2 HB3 MET 2 14.285 29.225 15.734 10 HG2 MET 2 HG2 MET 2 12.692 30.658 14.483 11 HG3 MET 2 HG3 MET 2 12.788 29.563 13.105 12 HE1 MET 2 HE1 MET 2 10.777 28.660 17.166 13 HE2 MET 2 HE2 MET 2 12.527 28.858 17.046 14 HE3 MET 2 HE3 MET 2 11.450 30.227 16.672 15 H ALA 3 H ALA 3 16.596 31.259 15.960 16 HA ALA 3 HA ALA 3 19.161 29.921 15.807 17 HB1 ALA 3 HB1 ALA 3 18.843 32.252 16.576 18 HB2 ALA 3 HB2 ALA 3 17.929 31.671 17.985 19 HB3 ALA 3 HB3 ALA 3 19.650 31.269 17.812 20 H CYS 4 H CYS 4 20.185 28.753 17.601 21 HA CYS 4 HA CYS 4 19.018 26.394 18.288 22 HB2 CYS 4 HB2 CYS 4 20.821 26.165 19.968 23 HB3 CYS 4 HB3 CYS 4 21.328 26.734 18.385 24 H GLN 5 H GLN 5 17.804 25.438 19.803 25 HA GLN 5 HA GLN 5 16.242 26.866 21.758 26 HB2 GLN 5 HB2 GLN 5 15.562 24.758 20.642 27 HB3 GLN 5 HB3 GLN 5 16.914 23.922 21.404 28 HG2 GLN 5 HG2 GLN 5 15.235 23.275 22.788 29 HG3 GLN 5 HG3 GLN 5 15.737 24.704 23.665 30 HE21 GLN 5 HE21 GLN 5 11.920 24.427 22.530 31 HE22 GLN 5 HE22 GLN 5 13.037 23.074 22.521 32 H PHE 6 H PHE 6 17.083 27.767 23.602 33 HA PHE 6 HA PHE 6 19.798 27.367 24.260 34 HB2 PHE 6 HB2 PHE 6 19.421 28.886 26.121 35 HB3 PHE 6 HB3 PHE 6 18.725 29.468 24.627 36 HD1 PHE 6 HD1 PHE 6 16.409 30.037 24.472 37 HD2 PHE 6 HD2 PHE 6 17.864 27.869 27.914 38 HE1 PHE 6 HE1 PHE 6 14.217 30.342 25.597 39 HE2 PHE 6 HE2 PHE 6 15.673 28.183 29.025 40 HZ PHE 6 HZ PHE 6 13.855 29.421 27.883 41 H TRP 7 H TRP 7 16.987 25.707 25.748 42 HA TRP 7 HA TRP 7 18.571 24.635 27.903 43 HB2 TRP 7 HB2 TRP 7 16.738 23.415 28.514 44 HB3 TRP 7 HB3 TRP 7 16.030 24.822 27.768 45 HD1 TRP 7 HD1 TRP 7 14.260 24.353 25.983 46 HE1 TRP 7 HE1 TRP 7 13.172 22.259 24.982 47 HE3 TRP 7 HE3 TRP 7 17.521 20.809 27.748 48 HZ2 TRP 7 HZ2 TRP 7 13.597 19.422 25.009 49 HZ3 TRP 7 HZ3 TRP 7 17.093 18.406 27.317 50 HH2 TRP 7 HH2 TRP 7 15.122 17.694 25.980 51 H SER 8 H SER 8 18.064 23.503 24.568 52 HA SER 8 HA SER 8 19.364 20.932 24.893 53 HB2 SER 8 HB2 SER 8 18.008 21.367 22.932 54 HB3 SER 8 HB3 SER 8 19.035 22.737 22.464 55 HG SER 8 HG SER 8 19.332 20.227 21.775 56 H CYS 9 H CYS 9 20.553 24.225 24.085 57 HA CYS 9 HA CYS 9 23.320 23.483 23.992 58 HB2 CYS 9 HB2 CYS 9 21.751 26.016 24.163 59 HB3 CYS 9 HB3 CYS 9 23.413 26.080 24.716 60 H ASN 10 H ASN 10 21.245 24.398 26.810 61 HA ASN 10 HA ASN 10 23.334 24.522 28.726 62 HB2 ASN 10 HB2 ASN 10 20.940 25.176 29.118 63 HB3 ASN 10 HB3 ASN 10 20.513 23.472 29.127 64 HD21 ASN 10 HD21 ASN 10 21.039 23.284 32.563 65 HD22 ASN 10 HD22 ASN 10 19.959 23.082 31.196 66 H SER 11 H SER 11 21.365 21.621 27.837 67 HA SER 11 HA SER 11 22.916 19.736 29.296 68 HB2 SER 11 HB2 SER 11 21.300 19.408 26.737 69 HB3 SER 11 HB3 SER 11 21.958 18.078 27.703 70 HG SER 11 HG SER 11 20.134 18.236 28.666 71 H SER 12 H SER 12 23.428 21.012 25.989 72 HA SER 12 HA SER 12 25.530 19.208 25.240 73 HB2 SER 12 HB2 SER 12 24.172 20.590 23.683 74 HB3 SER 12 HB3 SER 12 25.008 22.039 24.263 75 HG SER 12 HG SER 12 25.700 20.826 22.270 76 H CYS 13 H CYS 13 25.638 22.500 26.650 77 HA CYS 13 HA CYS 13 28.475 22.724 26.921 78 HB2 CYS 13 HB2 CYS 13 26.159 24.000 28.390 79 HB3 CYS 13 HB3 CYS 13 27.831 24.450 28.671 80 H ILE 14 H ILE 14 25.979 21.724 29.351 81 HA ILE 14 HA ILE 14 27.792 21.204 31.495 82 HB ILE 14 HB ILE 14 25.038 20.140 30.804 83 HG12 ILE 14 HG12 ILE 14 26.004 22.009 33.014 84 HG13 ILE 14 HG13 ILE 14 25.419 22.584 31.455 85 HG21 ILE 14 HG21 ILE 14 26.580 19.602 33.376 86 HG22 ILE 14 HG22 ILE 14 24.879 19.197 33.084 87 HG23 ILE 14 HG23 ILE 14 26.125 18.377 32.167 88 HD11 ILE 14 HD11 ILE 14 23.774 21.077 33.530 89 HD12 ILE 14 HD12 ILE 14 23.646 22.772 33.054 90 HD13 ILE 14 HD13 ILE 14 23.212 21.504 31.894 91 H SER 15 H SER 15 26.634 19.041 28.871 92 HA SER 15 HA SER 15 28.116 16.755 29.670 93 HB2 SER 15 HB2 SER 15 27.244 17.598 26.890 94 HB3 SER 15 HB3 SER 15 27.842 15.987 27.343 95 HG SER 15 HG SER 15 25.464 17.298 28.098 96 H ARG 16 H ARG 16 29.375 19.683 28.032 97 HA ARG 16 HA ARG 16 31.911 18.403 27.276 98 HB2 ARG 16 HB2 ARG 16 31.510 21.326 27.930 99 HB3 ARG 16 HB3 ARG 16 32.745 20.615 26.916 100 HG2 ARG 16 HG2 ARG 16 29.828 21.080 26.257 101 HG3 ARG 16 HG3 ARG 16 31.215 21.904 25.628 102 HD2 ARG 16 HD2 ARG 16 30.717 20.518 23.867 103 HD3 ARG 16 HD3 ARG 16 31.960 19.593 24.714 104 HE ARG 16 HE ARG 16 29.036 19.147 25.235 105 HH11 ARG 16 HH11 ARG 16 32.089 17.713 24.145 106 HH12 ARG 16 HH12 ARG 16 31.580 16.119 24.648 107 HH21 ARG 16 HH21 ARG 16 28.274 16.998 24.994 108 HH22 ARG 16 HH22 ARG 16 29.457 15.738 24.839 109 H GLY 17 H GLY 17 30.562 19.727 30.210 110 HA2 GLY 17 HA2 GLY 17 31.641 19.307 32.355 111 HA3 GLY 17 HA3 GLY 17 33.206 19.632 31.619 112 H TYR 18 H TYR 18 30.815 21.935 30.542 113 HA TYR 18 HA TYR 18 31.888 24.078 32.226 114 HB2 TYR 18 HB2 TYR 18 29.612 23.941 30.217 115 HB3 TYR 18 HB3 TYR 18 30.086 25.401 31.054 116 HD1 TYR 18 HD1 TYR 18 32.506 26.241 30.848 117 HD2 TYR 18 HD2 TYR 18 30.704 23.371 28.186 118 HE1 TYR 18 HE1 TYR 18 34.187 26.796 29.103 119 HE2 TYR 18 HE2 TYR 18 32.379 23.916 26.450 120 HH TYR 18 HH TYR 18 33.850 25.641 25.792 121 H ARG 19 H ARG 19 30.300 25.538 33.363 122 HA ARG 19 HA ARG 19 28.906 23.990 35.411 123 HB2 ARG 19 HB2 ARG 19 29.252 26.976 34.879 124 HB3 ARG 19 HB3 ARG 19 28.155 26.390 36.104 125 HG2 ARG 19 HG2 ARG 19 30.296 27.056 37.062 126 HG3 ARG 19 HG3 ARG 19 29.872 25.380 37.388 127 HD2 ARG 19 HD2 ARG 19 32.256 25.643 36.977 128 HD3 ARG 19 HD3 ARG 19 31.515 24.577 35.783 129 HE ARG 19 HE ARG 19 31.446 26.931 34.423 130 HH11 ARG 19 HH11 ARG 19 34.132 25.249 35.991 131 HH12 ARG 19 HH12 ARG 19 35.221 25.786 34.755 132 HH21 ARG 19 HH21 ARG 19 32.930 27.768 33.119 133 HH22 ARG 19 HH22 ARG 19 34.621 27.298 33.244 134 H GLN 20 H GLN 20 27.885 26.151 32.790 135 HA GLN 20 HA GLN 20 25.219 24.891 32.605 136 HB2 GLN 20 HB2 GLN 20 25.472 27.906 32.982 137 HB3 GLN 20 HB3 GLN 20 24.013 26.928 32.827 138 HG2 GLN 20 HG2 GLN 20 24.637 25.816 35.032 139 HG3 GLN 20 HG3 GLN 20 25.896 27.049 35.207 140 HE21 GLN 20 HE21 GLN 20 21.968 28.047 35.760 141 HE22 GLN 20 HE22 GLN 20 22.347 26.658 34.743 142 H GLY 21 H GLY 21 23.950 26.118 30.722 143 HA2 GLY 21 HA2 GLY 21 25.665 27.474 28.748 144 HA3 GLY 21 HA3 GLY 21 25.004 25.928 28.234 145 H LYS 22 H LYS 22 24.582 28.557 27.100 146 HA LYS 22 HA LYS 22 21.642 28.514 26.841 147 HB2 LYS 22 HB2 LYS 22 23.234 30.915 27.864 148 HB3 LYS 22 HB3 LYS 22 21.640 31.091 27.176 149 HG2 LYS 22 HG2 LYS 22 22.279 29.539 29.704 150 HG3 LYS 22 HG3 LYS 22 21.594 31.145 29.615 151 HD2 LYS 22 HD2 LYS 22 19.544 30.388 28.653 152 HD3 LYS 22 HD3 LYS 22 20.164 28.758 28.358 153 HE2 LYS 22 HE2 LYS 22 20.038 29.889 31.156 154 HE3 LYS 22 HE3 LYS 22 18.609 29.166 30.407 155 HZ1 LYS 22 HZ1 LYS 22 19.981 27.591 31.729 156 HZ2 LYS 22 HZ2 LYS 22 19.760 27.079 30.204 157 HZ3 LYS 22 HZ3 LYS 22 21.210 27.766 30.673 158 H CYS 23 H CYS 23 20.953 30.288 25.247 159 HA CYS 23 HA CYS 23 22.931 30.686 23.027 160 HB2 CYS 23 HB2 CYS 23 19.921 30.207 22.813 161 HB3 CYS 23 HB3 CYS 23 20.967 30.706 21.488 162 H TRP 24 H TRP 24 23.338 32.791 22.650 163 HA TRP 24 HA TRP 24 21.294 34.904 23.154 164 HB2 TRP 24 HB2 TRP 24 24.164 35.078 24.152 165 HB3 TRP 24 HB3 TRP 24 22.912 36.287 24.333 166 HD1 TRP 24 HD1 TRP 24 24.668 33.830 26.250 167 HE1 TRP 24 HE1 TRP 24 23.499 33.313 28.477 168 HE3 TRP 24 HE3 TRP 24 20.061 35.812 25.207 169 HZ2 TRP 24 HZ2 TRP 24 20.865 33.604 29.602 170 HZ3 TRP 24 HZ3 TRP 24 18.237 35.693 26.896 171 HH2 TRP 24 HH2 TRP 24 18.625 34.584 29.088 172 H GLY 25 H GLY 25 24.579 34.217 21.905 173 HA2 GLY 25 HA2 GLY 25 24.453 36.633 20.140 174 HA3 GLY 25 HA3 GLY 25 25.908 35.833 20.733 175 H ILE 26 H ILE 26 26.027 33.394 19.987 176 HA ILE 26 HA ILE 26 25.983 33.404 17.067 177 HB ILE 26 HB ILE 26 26.683 31.121 18.948 178 HG12 ILE 26 HG12 ILE 26 28.538 33.114 17.600 179 HG13 ILE 26 HG13 ILE 26 28.147 33.091 19.317 180 HG21 ILE 26 HG21 ILE 26 27.195 31.551 15.979 181 HG22 ILE 26 HG22 ILE 26 27.875 30.231 16.918 182 HG23 ILE 26 HG23 ILE 26 26.140 30.315 16.708 183 HD11 ILE 26 HD11 ILE 26 30.270 32.076 19.112 184 HD12 ILE 26 HD12 ILE 26 29.129 30.763 19.440 185 HD13 ILE 26 HD13 ILE 26 29.758 31.018 17.792 186 H GLN 27 H GLN 27 24.521 32.413 15.718 187 HA GLN 27 HA GLN 27 21.937 31.671 16.938 188 HB2 GLN 27 HB2 GLN 27 22.726 31.801 14.015 189 HB3 GLN 27 HB3 GLN 27 21.094 31.724 14.658 190 HG2 GLN 27 HG2 GLN 27 23.041 34.040 15.033 191 HG3 GLN 27 HG3 GLN 27 21.734 33.972 13.863 192 HE21 GLN 27 HE21 GLN 27 19.278 35.072 16.132 193 HE22 GLN 27 HE22 GLN 27 19.533 34.271 14.591 194 H TYR 28 H TYR 28 24.563 29.946 15.295 195 HA TYR 28 HA TYR 28 23.031 27.382 15.440 196 HB2 TYR 28 HB2 TYR 28 24.757 28.247 13.115 197 HB3 TYR 28 HB3 TYR 28 23.659 26.889 13.184 198 HD1 TYR 28 HD1 TYR 28 21.068 27.679 13.773 199 HD2 TYR 28 HD2 TYR 28 24.099 30.043 11.802 200 HE1 TYR 28 HE1 TYR 28 19.305 29.100 12.731 201 HE2 TYR 28 HE2 TYR 28 22.330 31.459 10.777 202 HH TYR 28 HH TYR 28 20.064 32.034 10.916 203 H LYS 29 H LYS 29 24.170 25.502 15.493 204 HA LYS 29 HA LYS 29 25.649 23.985 16.160 205 HB2 LYS 29 HB2 LYS 29 26.185 24.550 13.784 206 HB3 LYS 29 HB3 LYS 29 27.507 25.563 14.331 207 HG2 LYS 29 HG2 LYS 29 28.219 23.377 13.433 208 HG3 LYS 29 HG3 LYS 29 28.761 23.611 15.093 209 HD2 LYS 29 HD2 LYS 29 27.063 22.090 15.939 210 HD3 LYS 29 HD3 LYS 29 26.219 22.095 14.392 211 HE2 LYS 29 HE2 LYS 29 27.362 20.003 14.700 212 HE3 LYS 29 HE3 LYS 29 28.027 20.864 13.312 213 HZ1 LYS 29 HZ1 LYS 29 29.373 21.102 15.952 214 HZ2 LYS 29 HZ2 LYS 29 29.581 19.771 15.071 215 HZ3 LYS 29 HZ3 LYS 29 30.031 21.226 14.460 216 H TYR 30 H TYR 30 26.126 26.710 17.574 217 HA TYR 30 HA TYR 30 28.188 25.676 19.470 218 HB2 TYR 30 HB2 TYR 30 28.217 28.366 18.067 219 HB3 TYR 30 HB3 TYR 30 29.082 28.075 19.552 220 HD1 TYR 30 HD1 TYR 30 31.202 26.984 19.603 221 HD2 TYR 30 HD2 TYR 30 28.915 27.112 15.951 222 HE1 TYR 30 HE1 TYR 30 33.199 26.267 18.336 223 HE2 TYR 30 HE2 TYR 30 30.921 26.376 14.677 224 HH TYR 30 HH TYR 30 33.297 26.366 14.842 225 H CYS 31 H CYS 31 28.189 26.753 21.505 226 HA CYS 31 HA CYS 31 25.589 27.965 22.341 227 HB2 CYS 31 HB2 CYS 31 27.095 25.677 23.649 228 HB3 CYS 31 HB3 CYS 31 25.617 26.416 24.257 229 H GLN 32 H GLN 32 25.751 29.436 24.058 230 HA GLN 32 HA GLN 32 28.467 30.307 24.871 231 HB2 GLN 32 HB2 GLN 32 25.672 31.382 25.432 232 HB3 GLN 32 HB3 GLN 32 27.112 31.923 26.299 233 HG2 GLN 32 HG2 GLN 32 26.847 33.506 24.578 234 HG3 GLN 32 HG3 GLN 32 28.179 32.481 24.057 235 HE21 GLN 32 HE21 GLN 32 26.298 31.158 21.292 236 HE22 GLN 32 HE22 GLN 32 27.891 31.250 22.075 237 H CYS 33 H CYS 33 29.450 28.990 26.253 238 HA CYS 33 HA CYS 33 27.892 27.561 28.339 239 HB2 CYS 33 HB2 CYS 33 30.652 26.914 27.296 240 HB3 CYS 33 HB3 CYS 33 29.637 25.972 28.377 241 H TYR 34 H TYR 34 28.524 27.601 30.419 242 HA TYR 34 HA TYR 34 30.007 30.026 31.242 243 HB2 TYR 34 HB2 TYR 34 27.949 28.299 32.647 244 HB3 TYR 34 HB3 TYR 34 28.737 29.682 33.373 245 HD1 TYR 34 HD1 TYR 34 27.643 31.754 33.294 246 HD2 TYR 34 HD2 TYR 34 26.720 28.816 30.280 247 HE1 TYR 34 HE1 TYR 34 25.908 33.262 32.326 248 HE2 TYR 34 HE2 TYR 34 25.035 30.333 29.298 249 HH TYR 34 HH TYR 34 24.228 33.459 30.795 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 18.486 26.120 8.134 2 H2 GLY 1 H2 GLY 1 18.824 27.480 7.260 3 H3 GLY 1 H3 GLY 1 17.259 26.968 7.485 4 HA2 GLY 1 HA2 GLY 1 19.072 27.951 9.581 5 HA3 GLY 1 HA3 GLY 1 17.705 28.858 8.889 6 H MET 2 H MET 2 18.603 27.123 11.535 7 HA MET 2 HA MET 2 15.798 26.662 12.294 8 HB2 MET 2 HB2 MET 2 16.461 24.484 11.413 9 HB3 MET 2 HB3 MET 2 17.869 24.444 12.466 10 HG2 MET 2 HG2 MET 2 16.060 23.070 13.370 11 HG3 MET 2 HG3 MET 2 16.440 24.401 14.451 12 HE1 MET 2 HE1 MET 2 14.192 24.362 11.122 13 HE2 MET 2 HE2 MET 2 13.841 22.831 11.956 14 HE3 MET 2 HE3 MET 2 12.598 24.096 11.842 15 H ALA 3 H ALA 3 15.426 27.293 14.316 16 HA ALA 3 HA ALA 3 17.397 28.697 15.765 17 HB1 ALA 3 HB1 ALA 3 14.662 27.699 16.662 18 HB2 ALA 3 HB2 ALA 3 15.612 28.984 17.438 19 HB3 ALA 3 HB3 ALA 3 14.989 29.217 15.795 20 H CYS 4 H CYS 4 18.216 28.410 17.861 21 HA CYS 4 HA CYS 4 18.923 25.657 18.679 22 HB2 CYS 4 HB2 CYS 4 20.613 27.374 18.699 23 HB3 CYS 4 HB3 CYS 4 19.605 28.433 19.690 24 H GLN 5 H GLN 5 17.904 24.509 20.309 25 HA GLN 5 HA GLN 5 15.519 25.683 21.495 26 HB2 GLN 5 HB2 GLN 5 15.729 23.307 20.597 27 HB3 GLN 5 HB3 GLN 5 16.678 22.923 22.030 28 HG2 GLN 5 HG2 GLN 5 14.319 22.267 22.307 29 HG3 GLN 5 HG3 GLN 5 14.746 23.523 23.472 30 HE21 GLN 5 HE21 GLN 5 12.325 24.566 20.281 31 HE22 GLN 5 HE22 GLN 5 13.132 23.005 20.281 32 H PHE 6 H PHE 6 15.125 26.211 23.624 33 HA PHE 6 HA PHE 6 17.171 27.526 24.904 34 HB2 PHE 6 HB2 PHE 6 15.616 28.103 26.561 35 HB3 PHE 6 HB3 PHE 6 14.717 27.932 25.075 36 HD1 PHE 6 HD1 PHE 6 12.934 26.257 24.879 37 HD2 PHE 6 HD2 PHE 6 15.424 26.409 28.404 38 HE1 PHE 6 HE1 PHE 6 11.366 24.742 26.055 39 HE2 PHE 6 HE2 PHE 6 13.854 24.886 29.572 40 HZ PHE 6 HZ PHE 6 11.826 24.043 28.397 41 H TRP 7 H TRP 7 16.213 24.202 25.718 42 HA TRP 7 HA TRP 7 17.973 24.149 28.104 43 HB2 TRP 7 HB2 TRP 7 16.922 21.940 28.415 44 HB3 TRP 7 HB3 TRP 7 15.742 23.224 28.273 45 HD1 TRP 7 HD1 TRP 7 13.888 22.920 26.502 46 HE1 TRP 7 HE1 TRP 7 13.323 21.180 24.682 47 HE3 TRP 7 HE3 TRP 7 18.123 20.054 26.741 48 HZ2 TRP 7 HZ2 TRP 7 14.702 19.097 23.255 49 HZ3 TRP 7 HZ3 TRP 7 18.493 18.245 25.118 50 HH2 TRP 7 HH2 TRP 7 16.810 17.759 23.341 51 H SER 8 H SER 8 18.277 23.427 24.775 52 HA SER 8 HA SER 8 19.664 20.888 24.972 53 HB2 SER 8 HB2 SER 8 18.151 21.309 23.184 54 HB3 SER 8 HB3 SER 8 19.006 22.789 22.722 55 HG SER 8 HG SER 8 20.108 20.157 22.593 56 H CYS 9 H CYS 9 20.843 24.181 23.948 57 HA CYS 9 HA CYS 9 23.536 23.164 23.715 58 HB2 CYS 9 HB2 CYS 9 22.239 25.249 22.671 59 HB3 CYS 9 HB3 CYS 9 23.063 26.094 23.984 60 H ASN 10 H ASN 10 21.629 24.680 26.309 61 HA ASN 10 HA ASN 10 23.690 24.963 28.252 62 HB2 ASN 10 HB2 ASN 10 21.302 25.764 28.455 63 HB3 ASN 10 HB3 ASN 10 20.792 24.101 28.721 64 HD21 ASN 10 HD21 ASN 10 21.832 24.118 32.105 65 HD22 ASN 10 HD22 ASN 10 21.043 23.205 30.805 66 H SER 11 H SER 11 21.627 22.063 27.579 67 HA SER 11 HA SER 11 22.959 20.253 29.322 68 HB2 SER 11 HB2 SER 11 20.770 19.808 28.259 69 HB3 SER 11 HB3 SER 11 21.555 19.723 26.671 70 HG SER 11 HG SER 11 21.626 17.961 28.839 71 H SER 12 H SER 12 23.675 21.190 25.959 72 HA SER 12 HA SER 12 25.769 19.303 25.460 73 HB2 SER 12 HB2 SER 12 24.517 20.616 23.767 74 HB3 SER 12 HB3 SER 12 25.336 22.076 24.297 75 HG SER 12 HG SER 12 26.146 20.964 22.441 76 H CYS 13 H CYS 13 25.888 22.672 26.745 77 HA CYS 13 HA CYS 13 28.716 22.777 27.155 78 HB2 CYS 13 HB2 CYS 13 26.377 24.163 28.511 79 HB3 CYS 13 HB3 CYS 13 28.064 24.554 28.862 80 H ILE 14 H ILE 14 26.088 21.741 29.424 81 HA ILE 14 HA ILE 14 27.822 21.035 31.599 82 HB ILE 14 HB ILE 14 25.086 20.024 30.766 83 HG12 ILE 14 HG12 ILE 14 25.838 21.813 33.111 84 HG13 ILE 14 HG13 ILE 14 25.478 22.482 31.521 85 HG21 ILE 14 HG21 ILE 14 24.873 19.083 33.071 86 HG22 ILE 14 HG22 ILE 14 26.100 18.248 32.135 87 HG23 ILE 14 HG23 ILE 14 26.585 19.445 33.358 88 HD11 ILE 14 HD11 ILE 14 23.543 20.857 33.226 89 HD12 ILE 14 HD12 ILE 14 23.498 22.595 32.890 90 HD13 ILE 14 HD13 ILE 14 23.226 21.443 31.576 91 H SER 15 H SER 15 26.788 19.174 28.762 92 HA SER 15 HA SER 15 28.059 16.711 29.460 93 HB2 SER 15 HB2 SER 15 27.343 17.765 26.700 94 HB3 SER 15 HB3 SER 15 27.702 16.086 27.132 95 HG SER 15 HG SER 15 25.526 17.717 27.969 96 H ARG 16 H ARG 16 29.340 19.466 27.407 97 HA ARG 16 HA ARG 16 31.950 18.361 27.047 98 HB2 ARG 16 HB2 ARG 16 31.122 21.267 27.478 99 HB3 ARG 16 HB3 ARG 16 32.708 20.742 26.933 100 HG2 ARG 16 HG2 ARG 16 30.091 20.499 25.402 101 HG3 ARG 16 HG3 ARG 16 31.441 21.554 25.087 102 HD2 ARG 16 HD2 ARG 16 31.894 19.930 23.540 103 HD3 ARG 16 HD3 ARG 16 32.804 19.263 24.897 104 HE ARG 16 HE ARG 16 29.953 18.452 24.619 105 HH11 ARG 16 HH11 ARG 16 33.275 17.366 24.036 106 HH12 ARG 16 HH12 ARG 16 32.723 15.812 23.467 107 HH21 ARG 16 HH21 ARG 16 29.381 16.538 23.985 108 HH22 ARG 16 HH22 ARG 16 30.547 15.294 23.583 109 H GLY 17 H GLY 17 30.629 20.147 29.829 110 HA2 GLY 17 HA2 GLY 17 31.617 18.994 31.935 111 HA3 GLY 17 HA3 GLY 17 33.152 19.638 31.366 112 H TYR 18 H TYR 18 30.679 21.877 30.702 113 HA TYR 18 HA TYR 18 31.504 23.703 32.863 114 HB2 TYR 18 HB2 TYR 18 29.507 23.997 30.591 115 HB3 TYR 18 HB3 TYR 18 30.058 25.282 31.631 116 HD1 TYR 18 HD1 TYR 18 32.402 26.133 31.524 117 HD2 TYR 18 HD2 TYR 18 30.845 23.307 28.668 118 HE1 TYR 18 HE1 TYR 18 34.218 26.737 29.925 119 HE2 TYR 18 HE2 TYR 18 32.644 23.925 27.071 120 HH TYR 18 HH TYR 18 35.233 26.236 27.880 121 H ARG 19 H ARG 19 29.258 25.081 33.579 122 HA ARG 19 HA ARG 19 27.341 23.049 34.725 123 HB2 ARG 19 HB2 ARG 19 28.467 25.614 35.895 124 HB3 ARG 19 HB3 ARG 19 27.043 24.818 36.559 125 HG2 ARG 19 HG2 ARG 19 29.661 23.318 36.210 126 HG3 ARG 19 HG3 ARG 19 29.358 24.314 37.627 127 HD2 ARG 19 HD2 ARG 19 27.283 22.252 36.853 128 HD3 ARG 19 HD3 ARG 19 28.793 21.723 37.603 129 HE ARG 19 HE ARG 19 27.710 23.874 39.154 130 HH11 ARG 19 HH11 ARG 19 26.978 20.478 38.550 131 HH12 ARG 19 HH12 ARG 19 26.517 20.217 40.218 132 HH21 ARG 19 HH21 ARG 19 27.130 23.506 41.134 133 HH22 ARG 19 HH22 ARG 19 26.688 21.904 41.709 134 H GLN 20 H GLN 20 27.602 26.010 32.893 135 HA GLN 20 HA GLN 20 24.707 25.816 32.237 136 HB2 GLN 20 HB2 GLN 20 26.079 28.443 32.968 137 HB3 GLN 20 HB3 GLN 20 24.398 28.212 32.480 138 HG2 GLN 20 HG2 GLN 20 24.125 26.758 34.568 139 HG3 GLN 20 HG3 GLN 20 25.722 27.325 35.064 140 HE21 GLN 20 HE21 GLN 20 23.622 29.560 36.900 141 HE22 GLN 20 HE22 GLN 20 24.517 28.037 36.953 142 H GLY 21 H GLY 21 24.161 27.200 30.296 143 HA2 GLY 21 HA2 GLY 21 25.990 28.732 28.854 144 HA3 GLY 21 HA3 GLY 21 26.093 27.123 28.152 145 H LYS 22 H LYS 22 25.217 29.482 26.809 146 HA LYS 22 HA LYS 22 22.433 28.722 26.049 147 HB2 LYS 22 HB2 LYS 22 23.183 31.448 27.180 148 HB3 LYS 22 HB3 LYS 22 21.704 31.171 26.272 149 HG2 LYS 22 HG2 LYS 22 22.401 29.805 28.902 150 HG3 LYS 22 HG3 LYS 22 21.363 31.208 28.723 151 HD2 LYS 22 HD2 LYS 22 19.681 30.000 27.537 152 HD3 LYS 22 HD3 LYS 22 20.729 28.583 27.313 153 HE2 LYS 22 HE2 LYS 22 20.785 28.137 29.676 154 HE3 LYS 22 HE3 LYS 22 19.858 29.588 30.042 155 HZ1 LYS 22 HZ1 LYS 22 17.942 28.646 29.009 156 HZ2 LYS 22 HZ2 LYS 22 18.788 27.398 28.326 157 HZ3 LYS 22 HZ3 LYS 22 18.557 27.465 29.936 158 H CYS 23 H CYS 23 21.702 29.258 24.119 159 HA CYS 23 HA CYS 23 23.550 30.432 22.103 160 HB2 CYS 23 HB2 CYS 23 20.706 29.364 21.947 161 HB3 CYS 23 HB3 CYS 23 21.605 29.988 20.589 162 H TRP 24 H TRP 24 23.681 32.636 22.944 163 HA TRP 24 HA TRP 24 21.277 34.226 23.387 164 HB2 TRP 24 HB2 TRP 24 24.085 35.170 22.724 165 HB3 TRP 24 HB3 TRP 24 22.783 36.116 23.434 166 HD1 TRP 24 HD1 TRP 24 25.723 34.150 24.370 167 HE1 TRP 24 HE1 TRP 24 25.812 33.619 26.885 168 HE3 TRP 24 HE3 TRP 24 20.918 35.392 25.624 169 HZ2 TRP 24 HZ2 TRP 24 24.006 33.641 29.120 170 HZ3 TRP 24 HZ3 TRP 24 20.118 35.094 27.963 171 HH2 TRP 24 HH2 TRP 24 21.647 34.222 29.713 172 H GLY 25 H GLY 25 23.393 33.554 20.618 173 HA2 GLY 25 HA2 GLY 25 21.788 34.988 18.623 174 HA3 GLY 25 HA3 GLY 25 23.096 33.836 18.335 175 H ILE 26 H ILE 26 19.713 34.014 19.452 176 HA ILE 26 HA ILE 26 19.167 31.314 19.654 177 HB ILE 26 HB ILE 26 17.803 33.158 20.532 178 HG12 ILE 26 HG12 ILE 26 16.068 31.280 18.874 179 HG13 ILE 26 HG13 ILE 26 16.966 30.772 20.305 180 HG21 ILE 26 HG21 ILE 26 17.735 34.572 18.442 181 HG22 ILE 26 HG22 ILE 26 16.583 33.414 17.744 182 HG23 ILE 26 HG23 ILE 26 16.160 34.342 19.190 183 HD11 ILE 26 HD11 ILE 26 15.708 32.443 21.665 184 HD12 ILE 26 HD12 ILE 26 14.746 32.864 20.229 185 HD13 ILE 26 HD13 ILE 26 14.667 31.229 20.913 186 H GLN 27 H GLN 27 19.333 33.045 16.640 187 HA GLN 27 HA GLN 27 17.774 31.285 14.986 188 HB2 GLN 27 HB2 GLN 27 19.959 33.319 14.482 189 HB3 GLN 27 HB3 GLN 27 19.248 32.422 13.162 190 HG2 GLN 27 HG2 GLN 27 17.392 33.906 15.056 191 HG3 GLN 27 HG3 GLN 27 18.359 34.816 13.905 192 HE21 GLN 27 HE21 GLN 27 15.534 34.437 11.761 193 HE22 GLN 27 HE22 GLN 27 16.187 35.474 13.011 194 H TYR 28 H TYR 28 20.890 30.685 16.426 195 HA TYR 28 HA TYR 28 21.198 28.257 14.776 196 HB2 TYR 28 HB2 TYR 28 22.367 29.972 13.488 197 HB3 TYR 28 HB3 TYR 28 23.273 30.468 14.923 198 HD1 TYR 28 HD1 TYR 28 22.585 27.372 12.868 199 HD2 TYR 28 HD2 TYR 28 25.448 29.647 15.154 200 HE1 TYR 28 HE1 TYR 28 24.342 25.691 12.345 201 HE2 TYR 28 HE2 TYR 28 27.204 27.950 14.631 202 HH TYR 28 HH TYR 28 26.467 24.925 12.963 203 H LYS 29 H LYS 29 22.672 26.711 15.585 204 HA LYS 29 HA LYS 29 22.589 26.491 18.458 205 HB2 LYS 29 HB2 LYS 29 23.223 24.223 18.174 206 HB3 LYS 29 HB3 LYS 29 21.999 24.685 17.005 207 HG2 LYS 29 HG2 LYS 29 23.889 25.003 15.306 208 HG3 LYS 29 HG3 LYS 29 24.980 24.247 16.471 209 HD2 LYS 29 HD2 LYS 29 22.393 23.059 15.412 210 HD3 LYS 29 HD3 LYS 29 23.977 22.688 14.739 211 HE2 LYS 29 HE2 LYS 29 23.045 22.055 17.577 212 HE3 LYS 29 HE3 LYS 29 23.105 20.914 16.238 213 HZ1 LYS 29 HZ1 LYS 29 25.408 22.189 17.591 214 HZ2 LYS 29 HZ2 LYS 29 25.036 20.594 17.505 215 HZ3 LYS 29 HZ3 LYS 29 25.560 21.385 16.152 216 H TYR 30 H TYR 30 24.588 28.463 17.494 217 HA TYR 30 HA TYR 30 27.092 27.429 18.755 218 HB2 TYR 30 HB2 TYR 30 27.670 28.852 17.007 219 HB3 TYR 30 HB3 TYR 30 26.379 29.980 17.329 220 HD1 TYR 30 HD1 TYR 30 29.513 28.656 18.935 221 HD2 TYR 30 HD2 TYR 30 26.827 31.995 18.455 222 HE1 TYR 30 HE1 TYR 30 31.059 30.097 20.258 223 HE2 TYR 30 HE2 TYR 30 28.389 33.433 19.752 224 HH TYR 30 HH TYR 30 31.420 32.178 21.175 225 H CYS 31 H CYS 31 27.513 27.689 20.891 226 HA CYS 31 HA CYS 31 26.127 29.820 22.381 227 HB2 CYS 31 HB2 CYS 31 25.451 28.357 24.186 228 HB3 CYS 31 HB3 CYS 31 24.610 28.009 22.700 229 H GLN 32 H GLN 32 27.084 30.669 23.998 230 HA GLN 32 HA GLN 32 29.830 30.012 24.774 231 HB2 GLN 32 HB2 GLN 32 27.828 32.095 25.769 232 HB3 GLN 32 HB3 GLN 32 29.511 31.958 26.270 233 HG2 GLN 32 HG2 GLN 32 29.752 33.582 24.712 234 HG3 GLN 32 HG3 GLN 32 30.030 32.198 23.670 235 HE21 GLN 32 HE21 GLN 32 27.504 34.741 22.248 236 HE22 GLN 32 HE22 GLN 32 28.999 35.039 23.130 237 H CYS 33 H CYS 33 30.453 29.182 26.791 238 HA CYS 33 HA CYS 33 28.318 27.891 28.434 239 HB2 CYS 33 HB2 CYS 33 31.036 26.767 27.738 240 HB3 CYS 33 HB3 CYS 33 29.772 25.994 28.704 241 H TYR 34 H TYR 34 28.628 27.805 30.614 242 HA TYR 34 HA TYR 34 30.956 29.258 31.786 243 HB2 TYR 34 HB2 TYR 34 28.150 29.427 32.832 244 HB3 TYR 34 HB3 TYR 34 29.509 30.468 33.215 245 HD1 TYR 34 HD1 TYR 34 26.466 30.442 31.552 246 HD2 TYR 34 HD2 TYR 34 30.585 31.500 30.827 247 HE1 TYR 34 HE1 TYR 34 25.760 31.935 29.692 248 HE2 TYR 34 HE2 TYR 34 29.872 32.997 28.977 249 HH TYR 34 HH TYR 34 28.056 34.077 28.012 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 21.464 20.749 15.330 2 H2 GLY 1 H2 GLY 1 20.448 19.483 15.071 3 H3 GLY 1 H3 GLY 1 19.837 20.989 15.359 4 HA2 GLY 1 HA2 GLY 1 21.374 20.178 12.989 5 HA3 GLY 1 HA3 GLY 1 19.630 20.472 13.045 6 H MET 2 H MET 2 19.144 22.440 12.167 7 HA MET 2 HA MET 2 21.222 24.439 11.865 8 HB2 MET 2 HB2 MET 2 19.797 25.512 10.328 9 HB3 MET 2 HB3 MET 2 19.711 23.765 10.016 10 HG2 MET 2 HG2 MET 2 17.523 23.681 11.122 11 HG3 MET 2 HG3 MET 2 17.636 25.347 11.593 12 HE1 MET 2 HE1 MET 2 15.274 25.922 10.638 13 HE2 MET 2 HE2 MET 2 14.757 25.507 8.974 14 HE3 MET 2 HE3 MET 2 15.075 24.195 10.152 15 H ALA 3 H ALA 3 19.310 24.037 14.537 16 HA ALA 3 HA ALA 3 19.303 26.980 15.087 17 HB1 ALA 3 HB1 ALA 3 17.044 26.816 15.984 18 HB2 ALA 3 HB2 ALA 3 17.057 26.289 14.291 19 HB3 ALA 3 HB3 ALA 3 16.973 25.087 15.588 20 H CYS 4 H CYS 4 19.916 27.585 17.052 21 HA CYS 4 HA CYS 4 20.655 25.574 19.077 22 HB2 CYS 4 HB2 CYS 4 21.775 27.304 20.198 23 HB3 CYS 4 HB3 CYS 4 22.139 27.532 18.498 24 H GLN 5 H GLN 5 19.673 25.445 21.125 25 HA GLN 5 HA GLN 5 17.329 27.171 21.687 26 HB2 GLN 5 HB2 GLN 5 16.403 25.211 20.560 27 HB3 GLN 5 HB3 GLN 5 17.302 24.132 21.614 28 HG2 GLN 5 HG2 GLN 5 15.021 24.104 22.275 29 HG3 GLN 5 HG3 GLN 5 15.930 24.886 23.556 30 HE21 GLN 5 HE21 GLN 5 12.696 26.764 22.657 31 HE22 GLN 5 HE22 GLN 5 12.982 25.036 22.796 32 H PHE 6 H PHE 6 17.041 27.653 23.815 33 HA PHE 6 HA PHE 6 19.266 27.962 25.330 34 HB2 PHE 6 HB2 PHE 6 17.810 28.553 27.210 35 HB3 PHE 6 HB3 PHE 6 17.264 29.230 25.691 36 HD1 PHE 6 HD1 PHE 6 16.451 26.890 28.420 37 HD2 PHE 6 HD2 PHE 6 15.159 28.492 24.628 38 HE1 PHE 6 HE1 PHE 6 14.207 25.908 28.761 39 HE2 PHE 6 HE2 PHE 6 12.914 27.505 24.982 40 HZ PHE 6 HZ PHE 6 12.422 26.220 27.056 41 H TRP 7 H TRP 7 16.930 25.330 26.134 42 HA TRP 7 HA TRP 7 18.614 24.250 28.200 43 HB2 TRP 7 HB2 TRP 7 16.960 22.512 28.319 44 HB3 TRP 7 HB3 TRP 7 16.149 24.058 28.116 45 HD1 TRP 7 HD1 TRP 7 14.584 24.306 26.014 46 HE1 TRP 7 HE1 TRP 7 13.797 22.726 24.144 47 HE3 TRP 7 HE3 TRP 7 17.801 20.407 26.853 48 HZ2 TRP 7 HZ2 TRP 7 14.636 20.187 23.011 49 HZ3 TRP 7 HZ3 TRP 7 17.830 18.455 25.333 50 HH2 TRP 7 HH2 TRP 7 16.253 18.331 23.410 51 H SER 8 H SER 8 18.370 23.559 24.737 52 HA SER 8 HA SER 8 19.820 21.041 24.805 53 HB2 SER 8 HB2 SER 8 18.320 21.436 22.995 54 HB3 SER 8 HB3 SER 8 19.078 22.983 22.613 55 HG SER 8 HG SER 8 20.202 20.377 22.285 56 H CYS 9 H CYS 9 20.784 24.480 24.146 57 HA CYS 9 HA CYS 9 23.584 24.007 23.984 58 HB2 CYS 9 HB2 CYS 9 21.902 26.336 24.977 59 HB3 CYS 9 HB3 CYS 9 23.650 26.384 24.908 60 H ASN 10 H ASN 10 21.454 24.564 26.851 61 HA ASN 10 HA ASN 10 23.468 24.639 28.801 62 HB2 ASN 10 HB2 ASN 10 20.933 25.171 28.931 63 HB3 ASN 10 HB3 ASN 10 20.708 23.462 29.273 64 HD21 ASN 10 HD21 ASN 10 21.484 23.931 32.655 65 HD22 ASN 10 HD22 ASN 10 20.923 22.840 31.396 66 H SER 11 H SER 11 21.520 21.711 27.909 67 HA SER 11 HA SER 11 23.141 19.919 29.429 68 HB2 SER 11 HB2 SER 11 21.312 19.419 27.063 69 HB3 SER 11 HB3 SER 11 22.032 18.143 28.087 70 HG SER 11 HG SER 11 20.035 18.605 28.904 71 H SER 12 H SER 12 23.574 21.120 26.091 72 HA SER 12 HA SER 12 25.639 19.256 25.335 73 HB2 SER 12 HB2 SER 12 25.239 22.125 24.396 74 HB3 SER 12 HB3 SER 12 26.277 20.904 23.642 75 HG SER 12 HG SER 12 23.460 21.001 23.837 76 H CYS 13 H CYS 13 25.819 22.570 26.747 77 HA CYS 13 HA CYS 13 28.664 22.659 27.016 78 HB2 CYS 13 HB2 CYS 13 26.377 24.039 28.444 79 HB3 CYS 13 HB3 CYS 13 28.049 24.421 28.777 80 H ILE 14 H ILE 14 26.155 21.483 29.317 81 HA ILE 14 HA ILE 14 27.966 20.877 31.446 82 HB ILE 14 HB ILE 14 25.226 19.844 30.694 83 HG12 ILE 14 HG12 ILE 14 26.112 21.533 33.076 84 HG13 ILE 14 HG13 ILE 14 25.669 22.254 31.536 85 HG21 ILE 14 HG21 ILE 14 26.205 17.993 31.903 86 HG22 ILE 14 HG22 ILE 14 26.923 19.081 33.108 87 HG23 ILE 14 HG23 ILE 14 25.169 18.848 33.035 88 HD11 ILE 14 HD11 ILE 14 23.412 21.180 31.685 89 HD12 ILE 14 HD12 ILE 14 23.833 20.626 33.327 90 HD13 ILE 14 HD13 ILE 14 23.753 22.357 32.967 91 H SER 15 H SER 15 27.006 18.861 28.608 92 HA SER 15 HA SER 15 28.437 16.532 29.384 93 HB2 SER 15 HB2 SER 15 28.187 15.766 27.211 94 HB3 SER 15 HB3 SER 15 26.813 16.857 27.396 95 HG SER 15 HG SER 15 27.959 18.423 26.236 96 H ARG 16 H ARG 16 29.633 19.477 27.817 97 HA ARG 16 HA ARG 16 32.358 18.506 27.438 98 HB2 ARG 16 HB2 ARG 16 31.196 21.308 27.301 99 HB3 ARG 16 HB3 ARG 16 32.777 20.826 26.716 100 HG2 ARG 16 HG2 ARG 16 30.067 19.984 25.590 101 HG3 ARG 16 HG3 ARG 16 31.255 21.054 24.913 102 HD2 ARG 16 HD2 ARG 16 31.758 19.175 23.694 103 HD3 ARG 16 HD3 ARG 16 32.833 18.883 25.053 104 HE ARG 16 HE ARG 16 30.116 17.806 25.404 105 HH11 ARG 16 HH11 ARG 16 33.275 16.888 24.012 106 HH12 ARG 16 HH12 ARG 16 32.776 15.208 24.027 107 HH21 ARG 16 HH21 ARG 16 29.617 15.683 25.038 108 HH22 ARG 16 HH22 ARG 16 30.886 14.591 24.539 109 H GLY 17 H GLY 17 30.715 19.715 30.096 110 HA2 GLY 17 HA2 GLY 17 31.829 19.202 32.217 111 HA3 GLY 17 HA3 GLY 17 33.293 19.935 31.624 112 H TYR 18 H TYR 18 30.650 21.923 30.803 113 HA TYR 18 HA TYR 18 31.360 23.887 32.881 114 HB2 TYR 18 HB2 TYR 18 29.441 23.945 30.536 115 HB3 TYR 18 HB3 TYR 18 29.690 25.291 31.630 116 HD1 TYR 18 HD1 TYR 18 31.332 23.217 29.004 117 HD2 TYR 18 HD2 TYR 18 31.629 26.700 31.530 118 HE1 TYR 18 HE1 TYR 18 33.227 24.055 27.637 119 HE2 TYR 18 HE2 TYR 18 33.523 27.536 30.158 120 HH TYR 18 HH TYR 18 35.039 25.562 27.708 121 H ARG 19 H ARG 19 29.363 25.170 33.820 122 HA ARG 19 HA ARG 19 27.693 23.195 35.300 123 HB2 ARG 19 HB2 ARG 19 29.037 25.029 36.448 124 HB3 ARG 19 HB3 ARG 19 27.933 26.203 35.736 125 HG2 ARG 19 HG2 ARG 19 26.038 25.062 36.912 126 HG3 ARG 19 HG3 ARG 19 27.178 23.899 37.600 127 HD2 ARG 19 HD2 ARG 19 28.399 25.863 38.659 128 HD3 ARG 19 HD3 ARG 19 27.052 26.919 38.095 129 HE ARG 19 HE ARG 19 26.099 24.655 39.615 130 HH11 ARG 19 HH11 ARG 19 27.532 27.809 40.103 131 HH12 ARG 19 HH12 ARG 19 26.922 27.861 41.754 132 HH21 ARG 19 HH21 ARG 19 25.320 24.842 41.704 133 HH22 ARG 19 HH22 ARG 19 25.812 26.218 42.636 134 H GLN 20 H GLN 20 27.391 25.839 32.975 135 HA GLN 20 HA GLN 20 24.603 25.088 32.315 136 HB2 GLN 20 HB2 GLN 20 25.552 27.894 33.030 137 HB3 GLN 20 HB3 GLN 20 23.945 27.473 32.434 138 HG2 GLN 20 HG2 GLN 20 23.561 26.091 34.480 139 HG3 GLN 20 HG3 GLN 20 25.122 26.645 35.115 140 HE21 GLN 20 HE21 GLN 20 24.002 30.000 35.747 141 HE22 GLN 20 HE22 GLN 20 25.436 29.020 35.381 142 H GLY 21 H GLY 21 23.827 26.447 30.398 143 HA2 GLY 21 HA2 GLY 21 25.753 27.729 28.662 144 HA3 GLY 21 HA3 GLY 21 25.254 26.159 28.037 145 H LYS 22 H LYS 22 24.824 28.715 26.804 146 HA LYS 22 HA LYS 22 21.919 28.665 26.260 147 HB2 LYS 22 HB2 LYS 22 23.315 31.134 27.409 148 HB3 LYS 22 HB3 LYS 22 21.731 31.177 26.643 149 HG2 LYS 22 HG2 LYS 22 22.389 29.703 29.217 150 HG3 LYS 22 HG3 LYS 22 21.567 31.246 29.075 151 HD2 LYS 22 HD2 LYS 22 19.646 30.285 28.034 152 HD3 LYS 22 HD3 LYS 22 20.406 28.708 27.802 153 HE2 LYS 22 HE2 LYS 22 20.112 29.909 30.574 154 HE3 LYS 22 HE3 LYS 22 18.747 29.074 29.814 155 HZ1 LYS 22 HZ1 LYS 22 20.550 27.828 31.274 156 HZ2 LYS 22 HZ2 LYS 22 19.749 27.072 30.050 157 HZ3 LYS 22 HZ3 LYS 22 21.270 27.618 29.801 158 H CYS 23 H CYS 23 21.471 30.621 24.546 159 HA CYS 23 HA CYS 23 23.852 31.155 22.901 160 HB2 CYS 23 HB2 CYS 23 22.916 30.403 20.866 161 HB3 CYS 23 HB3 CYS 23 23.006 29.060 21.956 162 H TRP 24 H TRP 24 23.629 32.702 21.242 163 HA TRP 24 HA TRP 24 21.618 34.808 21.716 164 HB2 TRP 24 HB2 TRP 24 23.747 34.792 19.588 165 HB3 TRP 24 HB3 TRP 24 22.937 36.171 20.316 166 HD1 TRP 24 HD1 TRP 24 26.172 35.085 20.100 167 HE1 TRP 24 HE1 TRP 24 27.647 35.496 22.160 168 HE3 TRP 24 HE3 TRP 24 22.500 35.843 23.592 169 HZ2 TRP 24 HZ2 TRP 24 27.285 36.053 24.957 170 HZ3 TRP 24 HZ3 TRP 24 23.095 36.302 25.948 171 HH2 TRP 24 HH2 TRP 24 25.483 36.434 26.651 172 H GLY 25 H GLY 25 20.020 35.327 20.284 173 HA2 GLY 25 HA2 GLY 25 18.347 34.944 18.731 174 HA3 GLY 25 HA3 GLY 25 19.705 34.696 17.648 175 H ILE 26 H ILE 26 18.985 33.178 16.363 176 HA ILE 26 HA ILE 26 18.451 30.435 17.275 177 HB ILE 26 HB ILE 26 16.291 31.637 17.516 178 HG12 ILE 26 HG12 ILE 26 16.115 29.603 15.261 179 HG13 ILE 26 HG13 ILE 26 16.474 29.188 16.936 180 HG21 ILE 26 HG21 ILE 26 16.294 31.949 14.477 181 HG22 ILE 26 HG22 ILE 26 15.033 32.458 15.611 182 HG23 ILE 26 HG23 ILE 26 16.589 33.275 15.626 183 HD11 ILE 26 HD11 ILE 26 13.913 30.487 15.926 184 HD12 ILE 26 HD12 ILE 26 14.117 28.835 16.519 185 HD13 ILE 26 HD13 ILE 26 14.297 30.199 17.640 186 H GLN 27 H GLN 27 19.285 32.652 14.672 187 HA GLN 27 HA GLN 27 18.742 30.935 12.464 188 HB2 GLN 27 HB2 GLN 27 20.526 33.377 12.760 189 HB3 GLN 27 HB3 GLN 27 20.215 32.597 11.219 190 HG2 GLN 27 HG2 GLN 27 17.987 33.722 12.974 191 HG3 GLN 27 HG3 GLN 27 18.793 34.621 11.689 192 HE21 GLN 27 HE21 GLN 27 17.044 32.984 9.051 193 HE22 GLN 27 HE22 GLN 27 18.269 34.167 9.486 194 H TYR 28 H TYR 28 21.531 30.958 14.559 195 HA TYR 28 HA TYR 28 22.766 28.837 12.879 196 HB2 TYR 28 HB2 TYR 28 24.282 31.162 14.109 197 HB3 TYR 28 HB3 TYR 28 24.997 29.768 13.303 198 HD1 TYR 28 HD1 TYR 28 23.593 33.081 12.819 199 HD2 TYR 28 HD2 TYR 28 24.492 29.361 10.828 200 HE1 TYR 28 HE1 TYR 28 23.374 34.202 10.607 201 HE2 TYR 28 HE2 TYR 28 24.246 30.491 8.620 202 HH TYR 28 HH TYR 28 23.738 33.965 8.237 203 H LYS 29 H LYS 29 23.874 27.220 13.999 204 HA LYS 29 HA LYS 29 22.669 26.682 16.550 205 HB2 LYS 29 HB2 LYS 29 23.635 24.462 16.257 206 HB3 LYS 29 HB3 LYS 29 22.889 25.016 14.762 207 HG2 LYS 29 HG2 LYS 29 24.883 25.099 13.621 208 HG3 LYS 29 HG3 LYS 29 25.777 25.738 14.988 209 HD2 LYS 29 HD2 LYS 29 26.664 23.616 14.490 210 HD3 LYS 29 HD3 LYS 29 25.811 23.526 16.029 211 HE2 LYS 29 HE2 LYS 29 25.353 21.514 14.771 212 HE3 LYS 29 HE3 LYS 29 23.864 22.461 14.888 213 HZ1 LYS 29 HZ1 LYS 29 24.254 21.605 12.631 214 HZ2 LYS 29 HZ2 LYS 29 24.245 23.229 12.614 215 HZ3 LYS 29 HZ3 LYS 29 25.677 22.411 12.537 216 H TYR 30 H TYR 30 24.854 28.751 16.652 217 HA TYR 30 HA TYR 30 27.062 27.557 18.144 218 HB2 TYR 30 HB2 TYR 30 26.339 30.489 18.122 219 HB3 TYR 30 HB3 TYR 30 27.920 29.765 18.351 220 HD1 TYR 30 HD1 TYR 30 26.330 31.833 16.269 221 HD2 TYR 30 HD2 TYR 30 28.336 28.011 16.050 222 HE1 TYR 30 HE1 TYR 30 26.845 32.236 13.883 223 HE2 TYR 30 HE2 TYR 30 28.813 28.409 13.637 224 HH TYR 30 HH TYR 30 27.774 31.427 11.985 225 H CYS 31 H CYS 31 27.368 27.412 20.367 226 HA CYS 31 HA CYS 31 25.373 28.706 22.194 227 HB2 CYS 31 HB2 CYS 31 26.668 25.991 22.500 228 HB3 CYS 31 HB3 CYS 31 25.606 26.746 23.669 229 H GLN 32 H GLN 32 26.173 29.434 24.187 230 HA GLN 32 HA GLN 32 29.140 29.434 24.579 231 HB2 GLN 32 HB2 GLN 32 27.108 31.515 25.422 232 HB3 GLN 32 HB3 GLN 32 28.766 31.455 25.988 233 HG2 GLN 32 HG2 GLN 32 28.662 33.087 24.253 234 HG3 GLN 32 HG3 GLN 32 29.620 31.720 23.681 235 HE21 GLN 32 HE21 GLN 32 25.889 32.202 21.971 236 HE22 GLN 32 HE22 GLN 32 26.042 32.506 23.710 237 H CYS 33 H CYS 33 29.940 28.942 26.566 238 HA CYS 33 HA CYS 33 28.076 27.508 28.389 239 HB2 CYS 33 HB2 CYS 33 30.925 26.799 27.691 240 HB3 CYS 33 HB3 CYS 33 29.790 25.879 28.656 241 H TYR 34 H TYR 34 28.397 27.494 30.508 242 HA TYR 34 HA TYR 34 30.277 29.455 31.757 243 HB2 TYR 34 HB2 TYR 34 27.297 29.226 32.273 244 HB3 TYR 34 HB3 TYR 34 28.406 30.391 32.980 245 HD1 TYR 34 HD1 TYR 34 29.296 32.273 31.620 246 HD2 TYR 34 HD2 TYR 34 26.435 29.487 30.014 247 HE1 TYR 34 HE1 TYR 34 28.871 33.808 29.717 248 HE2 TYR 34 HE2 TYR 34 26.026 31.017 28.083 249 HH TYR 34 HH TYR 34 27.827 34.092 27.710 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 19.001 18.456 12.786 2 H2 GLY 1 H2 GLY 1 19.199 17.837 14.301 3 H3 GLY 1 H3 GLY 1 20.501 18.353 13.438 4 HA2 GLY 1 HA2 GLY 1 18.360 20.034 14.534 5 HA3 GLY 1 HA3 GLY 1 20.041 19.974 15.083 6 H MET 2 H MET 2 18.567 22.287 14.149 7 HA MET 2 HA MET 2 20.344 23.247 11.996 8 HB2 MET 2 HB2 MET 2 18.477 22.030 10.895 9 HB3 MET 2 HB3 MET 2 17.316 23.113 11.655 10 HG2 MET 2 HG2 MET 2 18.083 24.976 10.378 11 HG3 MET 2 HG3 MET 2 19.543 24.132 9.854 12 HE1 MET 2 HE1 MET 2 18.385 21.796 7.019 13 HE2 MET 2 HE2 MET 2 19.749 22.608 7.815 14 HE3 MET 2 HE3 MET 2 18.815 21.371 8.691 15 H ALA 3 H ALA 3 18.340 23.981 14.744 16 HA ALA 3 HA ALA 3 19.431 26.708 14.749 17 HB1 ALA 3 HB1 ALA 3 17.242 26.980 13.640 18 HB2 ALA 3 HB2 ALA 3 16.440 26.159 14.995 19 HB3 ALA 3 HB3 ALA 3 17.240 27.731 15.243 20 H CYS 4 H CYS 4 19.501 27.635 16.891 21 HA CYS 4 HA CYS 4 20.085 25.744 18.951 22 HB2 CYS 4 HB2 CYS 4 19.725 28.747 18.899 23 HB3 CYS 4 HB3 CYS 4 20.143 27.893 20.358 24 H GLN 5 H GLN 5 19.177 25.275 20.933 25 HA GLN 5 HA GLN 5 16.663 26.604 21.751 26 HB2 GLN 5 HB2 GLN 5 15.964 24.495 20.709 27 HB3 GLN 5 HB3 GLN 5 17.082 23.590 21.708 28 HG2 GLN 5 HG2 GLN 5 14.906 23.235 22.567 29 HG3 GLN 5 HG3 GLN 5 15.745 24.236 23.742 30 HE21 GLN 5 HE21 GLN 5 12.208 25.539 23.003 31 HE22 GLN 5 HE22 GLN 5 12.753 23.912 23.347 32 H PHE 6 H PHE 6 16.672 27.220 23.811 33 HA PHE 6 HA PHE 6 18.960 27.654 25.137 34 HB2 PHE 6 HB2 PHE 6 17.655 28.401 27.018 35 HB3 PHE 6 HB3 PHE 6 16.863 28.836 25.522 36 HD1 PHE 6 HD1 PHE 6 14.751 27.663 24.823 37 HD2 PHE 6 HD2 PHE 6 16.605 26.905 28.645 38 HE1 PHE 6 HE1 PHE 6 12.660 26.603 25.632 39 HE2 PHE 6 HE2 PHE 6 14.515 25.840 29.440 40 HZ PHE 6 HZ PHE 6 12.536 25.692 27.940 41 H TRP 7 H TRP 7 16.775 24.980 26.258 42 HA TRP 7 HA TRP 7 18.634 24.107 28.268 43 HB2 TRP 7 HB2 TRP 7 17.143 22.236 28.553 44 HB3 TRP 7 HB3 TRP 7 16.232 23.724 28.435 45 HD1 TRP 7 HD1 TRP 7 14.306 23.756 26.770 46 HE1 TRP 7 HE1 TRP 7 13.387 22.208 24.940 47 HE3 TRP 7 HE3 TRP 7 18.025 20.215 26.713 48 HZ2 TRP 7 HZ2 TRP 7 14.308 19.953 23.412 49 HZ3 TRP 7 HZ3 TRP 7 18.009 18.423 25.003 50 HH2 TRP 7 HH2 TRP 7 16.176 18.297 23.333 51 H SER 8 H SER 8 18.491 23.441 24.833 52 HA SER 8 HA SER 8 19.899 20.883 24.960 53 HB2 SER 8 HB2 SER 8 18.350 21.406 23.155 54 HB3 SER 8 HB3 SER 8 19.387 22.761 22.642 55 HG SER 8 HG SER 8 19.538 20.535 21.650 56 H CYS 9 H CYS 9 20.859 24.299 24.219 57 HA CYS 9 HA CYS 9 23.664 23.797 24.050 58 HB2 CYS 9 HB2 CYS 9 22.029 26.180 24.997 59 HB3 CYS 9 HB3 CYS 9 23.774 26.198 24.843 60 H ASN 10 H ASN 10 21.534 24.431 26.879 61 HA ASN 10 HA ASN 10 23.542 24.415 28.867 62 HB2 ASN 10 HB2 ASN 10 20.915 24.942 28.842 63 HB3 ASN 10 HB3 ASN 10 20.790 23.280 29.396 64 HD21 ASN 10 HD21 ASN 10 21.509 24.316 32.671 65 HD22 ASN 10 HD22 ASN 10 20.877 23.057 31.598 66 H SER 11 H SER 11 21.553 21.661 27.696 67 HA SER 11 HA SER 11 22.729 19.550 29.131 68 HB2 SER 11 HB2 SER 11 20.665 19.320 27.845 69 HB3 SER 11 HB3 SER 11 21.524 19.637 26.333 70 HG SER 11 HG SER 11 21.317 17.475 26.433 71 H SER 12 H SER 12 23.712 20.926 25.967 72 HA SER 12 HA SER 12 25.856 19.088 25.460 73 HB2 SER 12 HB2 SER 12 24.878 20.416 23.663 74 HB3 SER 12 HB3 SER 12 25.366 21.920 24.468 75 HG SER 12 HG SER 12 26.955 19.981 23.159 76 H CYS 13 H CYS 13 25.889 22.417 26.826 77 HA CYS 13 HA CYS 13 28.698 22.545 27.255 78 HB2 CYS 13 HB2 CYS 13 26.333 23.976 28.498 79 HB3 CYS 13 HB3 CYS 13 27.998 24.392 28.883 80 H ILE 14 H ILE 14 26.095 21.447 29.500 81 HA ILE 14 HA ILE 14 27.870 21.020 31.715 82 HB ILE 14 HB ILE 14 25.143 19.885 31.084 83 HG12 ILE 14 HG12 ILE 14 25.898 21.969 33.174 84 HG13 ILE 14 HG13 ILE 14 25.511 22.446 31.529 85 HG21 ILE 14 HG21 ILE 14 26.736 19.748 33.695 86 HG22 ILE 14 HG22 ILE 14 25.039 19.295 33.508 87 HG23 ILE 14 HG23 ILE 14 26.269 18.363 32.680 88 HD11 ILE 14 HD11 ILE 14 23.622 21.022 33.438 89 HD12 ILE 14 HD12 ILE 14 23.538 22.689 32.851 90 HD13 ILE 14 HD13 ILE 14 23.276 21.346 31.725 91 H SER 15 H SER 15 26.877 18.908 29.026 92 HA SER 15 HA SER 15 28.340 16.588 29.878 93 HB2 SER 15 HB2 SER 15 27.274 17.514 27.225 94 HB3 SER 15 HB3 SER 15 28.090 15.945 27.462 95 HG SER 15 HG SER 15 26.429 15.246 28.599 96 H ARG 16 H ARG 16 29.353 19.339 27.705 97 HA ARG 16 HA ARG 16 32.049 18.438 27.331 98 HB2 ARG 16 HB2 ARG 16 30.945 21.280 27.567 99 HB3 ARG 16 HB3 ARG 16 32.566 20.881 27.024 100 HG2 ARG 16 HG2 ARG 16 29.981 20.204 25.566 101 HG3 ARG 16 HG3 ARG 16 31.128 21.461 25.193 102 HD2 ARG 16 HD2 ARG 16 31.731 19.870 23.653 103 HD3 ARG 16 HD3 ARG 16 32.872 19.491 24.956 104 HE ARG 16 HE ARG 16 30.333 18.046 25.160 105 HH11 ARG 16 HH11 ARG 16 33.196 17.905 23.144 106 HH12 ARG 16 HH12 ARG 16 33.031 16.169 22.968 107 HH21 ARG 16 HH21 ARG 16 30.149 15.915 24.771 108 HH22 ARG 16 HH22 ARG 16 31.404 15.074 23.900 109 H GLY 17 H GLY 17 30.617 20.136 30.117 110 HA2 GLY 17 HA2 GLY 17 31.771 19.329 32.248 111 HA3 GLY 17 HA3 GLY 17 33.271 19.944 31.548 112 H TYR 18 H TYR 18 30.828 22.130 30.736 113 HA TYR 18 HA TYR 18 31.610 24.069 32.814 114 HB2 TYR 18 HB2 TYR 18 29.646 24.271 30.516 115 HB3 TYR 18 HB3 TYR 18 30.209 25.595 31.520 116 HD1 TYR 18 HD1 TYR 18 31.102 23.290 28.787 117 HD2 TYR 18 HD2 TYR 18 32.476 26.540 31.275 118 HE1 TYR 18 HE1 TYR 18 32.999 23.697 27.216 119 HE2 TYR 18 HE2 TYR 18 34.360 26.942 29.694 120 HH TYR 18 HH TYR 18 35.494 26.161 27.785 121 H ARG 19 H ARG 19 29.533 25.389 33.744 122 HA ARG 19 HA ARG 19 27.742 23.322 35.007 123 HB2 ARG 19 HB2 ARG 19 28.196 26.229 35.747 124 HB3 ARG 19 HB3 ARG 19 27.144 25.106 36.592 125 HG2 ARG 19 HG2 ARG 19 30.177 24.932 36.404 126 HG3 ARG 19 HG3 ARG 19 29.220 25.465 37.782 127 HD2 ARG 19 HD2 ARG 19 28.205 23.135 37.878 128 HD3 ARG 19 HD3 ARG 19 29.394 22.646 36.658 129 HE ARG 19 HE ARG 19 30.680 24.030 38.847 130 HH11 ARG 19 HH11 ARG 19 29.400 20.750 38.227 131 HH12 ARG 19 HH12 ARG 19 30.569 20.122 39.380 132 HH21 ARG 19 HH21 ARG 19 31.861 23.088 40.346 133 HH22 ARG 19 HH22 ARG 19 31.644 21.389 40.727 134 H GLN 20 H GLN 20 27.586 26.047 32.764 135 HA GLN 20 HA GLN 20 24.749 25.352 32.187 136 HB2 GLN 20 HB2 GLN 20 25.715 28.168 32.874 137 HB3 GLN 20 HB3 GLN 20 24.122 27.747 32.232 138 HG2 GLN 20 HG2 GLN 20 23.842 26.226 34.273 139 HG3 GLN 20 HG3 GLN 20 25.241 27.061 34.965 140 HE21 GLN 20 HE21 GLN 20 21.660 28.742 35.270 141 HE22 GLN 20 HE22 GLN 20 21.975 27.012 35.057 142 H GLY 21 H GLY 21 23.900 26.540 30.232 143 HA2 GLY 21 HA2 GLY 21 25.803 27.702 28.353 144 HA3 GLY 21 HA3 GLY 21 25.275 26.083 27.894 145 H LYS 22 H LYS 22 24.898 28.716 26.615 146 HA LYS 22 HA LYS 22 22.041 28.515 25.877 147 HB2 LYS 22 HB2 LYS 22 23.260 31.021 27.115 148 HB3 LYS 22 HB3 LYS 22 21.763 31.046 26.191 149 HG2 LYS 22 HG2 LYS 22 22.209 29.582 28.810 150 HG3 LYS 22 HG3 LYS 22 21.357 31.098 28.597 151 HD2 LYS 22 HD2 LYS 22 19.566 30.100 27.391 152 HD3 LYS 22 HD3 LYS 22 20.399 28.553 27.214 153 HE2 LYS 22 HE2 LYS 22 19.532 29.732 29.888 154 HE3 LYS 22 HE3 LYS 22 18.606 28.561 28.953 155 HZ1 LYS 22 HZ1 LYS 22 19.775 27.054 30.099 156 HZ2 LYS 22 HZ2 LYS 22 21.062 27.401 29.111 157 HZ3 LYS 22 HZ3 LYS 22 20.920 28.124 30.583 158 H CYS 23 H CYS 23 21.617 30.379 24.098 159 HA CYS 23 HA CYS 23 24.006 30.688 22.336 160 HB2 CYS 23 HB2 CYS 23 23.228 28.590 21.643 161 HB3 CYS 23 HB3 CYS 23 21.526 29.072 21.745 162 H TRP 24 H TRP 24 24.069 32.552 21.291 163 HA TRP 24 HA TRP 24 22.011 34.526 21.708 164 HB2 TRP 24 HB2 TRP 24 24.557 34.721 20.070 165 HB3 TRP 24 HB3 TRP 24 23.582 36.052 20.638 166 HD1 TRP 24 HD1 TRP 24 26.550 34.143 21.533 167 HE1 TRP 24 HE1 TRP 24 27.325 34.639 23.926 168 HE3 TRP 24 HE3 TRP 24 22.360 36.534 23.242 169 HZ2 TRP 24 HZ2 TRP 24 26.218 35.858 26.314 170 HZ3 TRP 24 HZ3 TRP 24 22.243 37.353 25.581 171 HH2 TRP 24 HH2 TRP 24 24.145 37.000 27.136 172 H GLY 25 H GLY 25 21.420 32.219 19.727 173 HA2 GLY 25 HA2 GLY 25 19.883 31.922 18.114 174 HA3 GLY 25 HA3 GLY 25 19.443 33.605 18.370 175 H ILE 26 H ILE 26 22.182 34.459 17.153 176 HA ILE 26 HA ILE 26 21.243 35.089 14.627 177 HB ILE 26 HB ILE 26 24.145 34.819 15.488 178 HG12 ILE 26 HG12 ILE 26 23.008 36.293 17.030 179 HG13 ILE 26 HG13 ILE 26 24.057 37.222 15.994 180 HG21 ILE 26 HG21 ILE 26 24.618 36.613 13.801 181 HG22 ILE 26 HG22 ILE 26 24.187 35.061 13.102 182 HG23 ILE 26 HG23 ILE 26 22.986 36.366 13.143 183 HD11 ILE 26 HD11 ILE 26 21.972 38.425 16.302 184 HD12 ILE 26 HD12 ILE 26 22.080 37.917 14.610 185 HD13 ILE 26 HD13 ILE 26 21.029 37.040 15.750 186 H GLN 27 H GLN 27 22.933 32.108 15.409 187 HA GLN 27 HA GLN 27 22.396 30.946 12.788 188 HB2 GLN 27 HB2 GLN 27 24.779 30.486 12.282 189 HB3 GLN 27 HB3 GLN 27 24.389 32.199 12.248 190 HG2 GLN 27 HG2 GLN 27 25.392 32.454 14.533 191 HG3 GLN 27 HG3 GLN 27 25.787 30.728 14.529 192 HE21 GLN 27 HE21 GLN 27 27.886 32.873 11.730 193 HE22 GLN 27 HE22 GLN 27 26.170 33.208 11.855 194 H TYR 28 H TYR 28 23.674 28.670 12.786 195 HA TYR 28 HA TYR 28 23.054 27.355 15.381 196 HB2 TYR 28 HB2 TYR 28 21.789 26.697 13.323 197 HB3 TYR 28 HB3 TYR 28 23.302 26.125 12.620 198 HD1 TYR 28 HD1 TYR 28 23.447 23.776 12.657 199 HD2 TYR 28 HD2 TYR 28 21.559 25.796 15.974 200 HE1 TYR 28 HE1 TYR 28 23.015 21.583 13.765 201 HE2 TYR 28 HE2 TYR 28 21.114 23.596 17.055 202 HH TYR 28 HH TYR 28 22.614 20.835 16.346 203 H LYS 29 H LYS 29 24.423 25.323 15.813 204 HA LYS 29 HA LYS 29 26.430 24.639 16.716 205 HB2 LYS 29 HB2 LYS 29 27.832 25.689 14.250 206 HB3 LYS 29 HB3 LYS 29 28.366 24.432 15.342 207 HG2 LYS 29 HG2 LYS 29 26.035 24.280 13.380 208 HG3 LYS 29 HG3 LYS 29 27.604 23.531 13.191 209 HD2 LYS 29 HD2 LYS 29 25.502 22.817 15.265 210 HD3 LYS 29 HD3 LYS 29 25.897 21.894 13.826 211 HE2 LYS 29 HE2 LYS 29 27.800 22.391 16.161 212 HE3 LYS 29 HE3 LYS 29 26.846 20.924 15.906 213 HZ1 LYS 29 HZ1 LYS 29 29.087 20.639 15.091 214 HZ2 LYS 29 HZ2 LYS 29 28.058 20.557 13.828 215 HZ3 LYS 29 HZ3 LYS 29 28.961 21.917 14.075 216 H TYR 30 H TYR 30 25.470 26.875 17.718 217 HA TYR 30 HA TYR 30 27.695 28.871 17.962 218 HB2 TYR 30 HB2 TYR 30 25.873 29.322 16.293 219 HB3 TYR 30 HB3 TYR 30 24.712 29.331 17.604 220 HD1 TYR 30 HD1 TYR 30 28.035 31.032 16.823 221 HD2 TYR 30 HD2 TYR 30 23.888 31.457 17.952 222 HE1 TYR 30 HE1 TYR 30 28.265 33.504 16.787 223 HE2 TYR 30 HE2 TYR 30 24.152 33.939 17.919 224 HH TYR 30 HH TYR 30 27.013 35.552 16.701 225 H CYS 31 H CYS 31 26.432 26.700 19.960 226 HA CYS 31 HA CYS 31 25.349 28.271 22.136 227 HB2 CYS 31 HB2 CYS 31 26.668 25.547 22.155 228 HB3 CYS 31 HB3 CYS 31 25.758 26.235 23.481 229 H GLN 32 H GLN 32 26.286 29.110 23.947 230 HA GLN 32 HA GLN 32 29.256 28.970 24.259 231 HB2 GLN 32 HB2 GLN 32 27.463 31.357 24.794 232 HB3 GLN 32 HB3 GLN 32 29.172 31.224 25.255 233 HG2 GLN 32 HG2 GLN 32 29.734 30.846 22.826 234 HG3 GLN 32 HG3 GLN 32 28.043 31.114 22.414 235 HE21 GLN 32 HE21 GLN 32 29.272 34.375 21.670 236 HE22 GLN 32 HE22 GLN 32 29.063 32.753 20.990 237 H CYS 33 H CYS 33 30.045 28.558 26.230 238 HA CYS 33 HA CYS 33 28.112 27.530 28.226 239 HB2 CYS 33 HB2 CYS 33 30.960 26.651 27.694 240 HB3 CYS 33 HB3 CYS 33 29.741 25.868 28.705 241 H TYR 34 H TYR 34 28.477 27.669 30.355 242 HA TYR 34 HA TYR 34 30.364 29.771 31.372 243 HB2 TYR 34 HB2 TYR 34 27.471 29.356 32.149 244 HB3 TYR 34 HB3 TYR 34 28.538 30.624 32.713 245 HD1 TYR 34 HD1 TYR 34 26.487 29.411 29.880 246 HD2 TYR 34 HD2 TYR 34 29.024 32.576 31.317 247 HE1 TYR 34 HE1 TYR 34 25.653 30.898 28.062 248 HE2 TYR 34 HE2 TYR 34 28.166 34.080 29.521 249 HH TYR 34 HH TYR 34 25.762 33.000 27.106 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 13.109 26.898 18.757 2 H2 GLY 1 H2 GLY 1 12.025 26.259 19.833 3 H3 GLY 1 H3 GLY 1 11.492 27.092 18.510 4 HA2 GLY 1 HA2 GLY 1 11.175 24.774 18.116 5 HA3 GLY 1 HA3 GLY 1 12.429 25.420 17.035 6 H MET 2 H MET 2 14.269 24.303 16.975 7 HA MET 2 HA MET 2 15.266 22.830 19.385 8 HB2 MET 2 HB2 MET 2 15.221 21.945 16.482 9 HB3 MET 2 HB3 MET 2 16.192 21.153 17.726 10 HG2 MET 2 HG2 MET 2 13.345 21.437 18.497 11 HG3 MET 2 HG3 MET 2 13.580 20.537 17.025 12 HE1 MET 2 HE1 MET 2 15.361 19.294 21.125 13 HE2 MET 2 HE2 MET 2 16.007 20.668 20.213 14 HE3 MET 2 HE3 MET 2 14.352 20.735 20.874 15 H ALA 3 H ALA 3 16.034 24.818 16.552 16 HA ALA 3 HA ALA 3 18.898 24.761 16.884 17 HB1 ALA 3 HB1 ALA 3 18.833 26.549 15.221 18 HB2 ALA 3 HB2 ALA 3 17.706 25.265 14.766 19 HB3 ALA 3 HB3 ALA 3 17.087 26.767 15.476 20 H CYS 4 H CYS 4 20.198 25.955 18.187 21 HA CYS 4 HA CYS 4 20.812 27.042 20.064 22 HB2 CYS 4 HB2 CYS 4 19.381 29.082 18.426 23 HB3 CYS 4 HB3 CYS 4 19.739 29.530 20.077 24 H GLN 5 H GLN 5 18.203 25.458 20.306 25 HA GLN 5 HA GLN 5 16.404 26.823 21.970 26 HB2 GLN 5 HB2 GLN 5 15.951 24.771 20.656 27 HB3 GLN 5 HB3 GLN 5 16.925 23.841 21.792 28 HG2 GLN 5 HG2 GLN 5 14.691 23.433 22.387 29 HG3 GLN 5 HG3 GLN 5 15.264 24.545 23.621 30 HE21 GLN 5 HE21 GLN 5 11.888 25.689 22.555 31 HE22 GLN 5 HE22 GLN 5 12.547 24.247 23.327 32 H PHE 6 H PHE 6 16.400 27.415 23.997 33 HA PHE 6 HA PHE 6 18.427 27.744 25.593 34 HB2 PHE 6 HB2 PHE 6 16.892 28.112 27.462 35 HB3 PHE 6 HB3 PHE 6 16.292 28.762 25.960 36 HD1 PHE 6 HD1 PHE 6 14.317 27.716 24.810 37 HD2 PHE 6 HD2 PHE 6 15.686 26.381 28.677 38 HE1 PHE 6 HE1 PHE 6 12.158 26.545 25.176 39 HE2 PHE 6 HE2 PHE 6 13.535 25.199 29.040 40 HZ PHE 6 HZ PHE 6 11.770 25.273 27.281 41 H TRP 7 H TRP 7 16.453 24.756 26.270 42 HA TRP 7 HA TRP 7 18.336 23.936 28.329 43 HB2 TRP 7 HB2 TRP 7 17.002 21.953 28.521 44 HB3 TRP 7 HB3 TRP 7 15.965 23.361 28.440 45 HD1 TRP 7 HD1 TRP 7 14.059 23.289 26.743 46 HE1 TRP 7 HE1 TRP 7 13.278 21.690 24.888 47 HE3 TRP 7 HE3 TRP 7 18.083 20.091 26.628 48 HZ2 TRP 7 HZ2 TRP 7 14.354 19.501 23.384 49 HZ3 TRP 7 HZ3 TRP 7 18.208 18.321 24.917 50 HH2 TRP 7 HH2 TRP 7 16.369 18.016 23.267 51 H SER 8 H SER 8 18.285 23.451 24.875 52 HA SER 8 HA SER 8 19.846 20.981 24.894 53 HB2 SER 8 HB2 SER 8 18.226 21.622 23.103 54 HB3 SER 8 HB3 SER 8 19.342 22.909 22.604 55 HG SER 8 HG SER 8 19.558 20.947 21.430 56 H CYS 9 H CYS 9 20.574 24.477 24.348 57 HA CYS 9 HA CYS 9 23.399 24.252 24.088 58 HB2 CYS 9 HB2 CYS 9 21.538 26.356 25.269 59 HB3 CYS 9 HB3 CYS 9 23.275 26.549 25.231 60 H ASN 10 H ASN 10 21.348 24.523 27.032 61 HA ASN 10 HA ASN 10 23.460 24.527 28.909 62 HB2 ASN 10 HB2 ASN 10 21.007 25.159 29.210 63 HB3 ASN 10 HB3 ASN 10 20.637 23.436 29.325 64 HD21 ASN 10 HD21 ASN 10 21.620 23.322 32.704 65 HD22 ASN 10 HD22 ASN 10 20.929 22.450 31.337 66 H SER 11 H SER 11 21.498 21.749 27.736 67 HA SER 11 HA SER 11 22.804 19.691 29.166 68 HB2 SER 11 HB2 SER 11 20.639 19.496 27.981 69 HB3 SER 11 HB3 SER 11 21.475 19.631 26.425 70 HG SER 11 HG SER 11 21.815 17.582 28.384 71 H SER 12 H SER 12 23.661 21.151 25.997 72 HA SER 12 HA SER 12 25.775 19.284 25.434 73 HB2 SER 12 HB2 SER 12 24.565 20.658 23.746 74 HB3 SER 12 HB3 SER 12 25.400 22.099 24.358 75 HG SER 12 HG SER 12 26.389 21.028 22.542 76 H CYS 13 H CYS 13 25.854 22.605 26.826 77 HA CYS 13 HA CYS 13 28.702 22.660 27.186 78 HB2 CYS 13 HB2 CYS 13 26.409 24.102 28.524 79 HB3 CYS 13 HB3 CYS 13 28.086 24.425 28.937 80 H ILE 14 H ILE 14 26.115 21.343 29.297 81 HA ILE 14 HA ILE 14 27.853 20.528 31.427 82 HB ILE 14 HB ILE 14 25.132 19.596 30.498 83 HG12 ILE 14 HG12 ILE 14 26.003 21.069 33.035 84 HG13 ILE 14 HG13 ILE 14 25.507 21.902 31.570 85 HG21 ILE 14 HG21 ILE 14 26.608 18.658 33.000 86 HG22 ILE 14 HG22 ILE 14 24.921 18.303 32.594 87 HG23 ILE 14 HG23 ILE 14 26.200 17.643 31.600 88 HD11 ILE 14 HD11 ILE 14 23.631 21.850 33.049 89 HD12 ILE 14 HD12 ILE 14 23.272 20.772 31.675 90 HD13 ILE 14 HD13 ILE 14 23.747 20.104 33.257 91 H SER 15 H SER 15 26.944 18.785 28.365 92 HA SER 15 HA SER 15 28.424 16.412 28.908 93 HB2 SER 15 HB2 SER 15 28.021 17.778 26.221 94 HB3 SER 15 HB3 SER 15 28.552 16.119 26.474 95 HG SER 15 HG SER 15 26.222 16.708 26.056 96 H ARG 16 H ARG 16 29.585 19.561 27.773 97 HA ARG 16 HA ARG 16 32.389 18.656 27.480 98 HB2 ARG 16 HB2 ARG 16 31.158 21.434 27.378 99 HB3 ARG 16 HB3 ARG 16 32.790 21.011 26.872 100 HG2 ARG 16 HG2 ARG 16 30.216 20.045 25.531 101 HG3 ARG 16 HG3 ARG 16 31.237 21.365 25.032 102 HD2 ARG 16 HD2 ARG 16 31.788 19.507 23.629 103 HD3 ARG 16 HD3 ARG 16 33.149 19.702 24.755 104 HE ARG 16 HE ARG 16 31.280 17.864 25.875 105 HH11 ARG 16 HH11 ARG 16 33.654 17.901 23.211 106 HH12 ARG 16 HH12 ARG 16 33.871 16.173 23.387 107 HH21 ARG 16 HH21 ARG 16 31.733 15.634 25.926 108 HH22 ARG 16 HH22 ARG 16 32.923 15.023 24.795 109 H GLY 17 H GLY 17 30.523 19.626 30.062 110 HA2 GLY 17 HA2 GLY 17 31.324 19.175 32.273 111 HA3 GLY 17 HA3 GLY 17 32.958 19.592 31.778 112 H TYR 18 H TYR 18 30.736 21.969 30.734 113 HA TYR 18 HA TYR 18 31.531 23.858 32.858 114 HB2 TYR 18 HB2 TYR 18 29.794 24.196 30.390 115 HB3 TYR 18 HB3 TYR 18 30.256 25.485 31.490 116 HD1 TYR 18 HD1 TYR 18 31.356 23.389 28.688 117 HD2 TYR 18 HD2 TYR 18 32.631 26.227 31.663 118 HE1 TYR 18 HE1 TYR 18 33.489 23.740 27.437 119 HE2 TYR 18 HE2 TYR 18 34.762 26.570 30.425 120 HH TYR 18 HH TYR 18 35.488 24.891 27.345 121 H ARG 19 H ARG 19 29.776 25.128 34.000 122 HA ARG 19 HA ARG 19 27.828 23.256 35.109 123 HB2 ARG 19 HB2 ARG 19 28.958 25.045 36.460 124 HB3 ARG 19 HB3 ARG 19 27.929 26.246 35.651 125 HG2 ARG 19 HG2 ARG 19 25.913 24.988 36.411 126 HG3 ARG 19 HG3 ARG 19 26.944 23.764 37.155 127 HD2 ARG 19 HD2 ARG 19 27.793 25.474 38.735 128 HD3 ARG 19 HD3 ARG 19 26.708 26.677 38.018 129 HE ARG 19 HE ARG 19 25.966 24.334 39.680 130 HH11 ARG 19 HH11 ARG 19 24.626 26.966 37.732 131 HH12 ARG 19 HH12 ARG 19 23.016 26.611 38.281 132 HH21 ARG 19 HH21 ARG 19 23.984 23.991 40.301 133 HH22 ARG 19 HH22 ARG 19 22.620 24.825 39.550 134 H GLN 20 H GLN 20 27.506 26.134 32.985 135 HA GLN 20 HA GLN 20 24.889 25.051 32.049 136 HB2 GLN 20 HB2 GLN 20 25.304 27.852 33.193 137 HB3 GLN 20 HB3 GLN 20 23.915 27.364 32.216 138 HG2 GLN 20 HG2 GLN 20 23.662 25.418 33.955 139 HG3 GLN 20 HG3 GLN 20 24.627 26.454 35.006 140 HE21 GLN 20 HE21 GLN 20 20.937 27.054 35.485 141 HE22 GLN 20 HE22 GLN 20 21.998 25.642 35.598 142 H GLY 21 H GLY 21 23.975 26.459 30.211 143 HA2 GLY 21 HA2 GLY 21 25.891 27.910 28.588 144 HA3 GLY 21 HA3 GLY 21 25.534 26.308 27.937 145 H LYS 22 H LYS 22 24.999 28.944 26.782 146 HA LYS 22 HA LYS 22 22.129 28.655 26.112 147 HB2 LYS 22 HB2 LYS 22 22.990 30.452 28.191 148 HB3 LYS 22 HB3 LYS 22 22.658 31.447 26.796 149 HG2 LYS 22 HG2 LYS 22 20.706 31.300 28.169 150 HG3 LYS 22 HG3 LYS 22 20.364 30.474 26.643 151 HD2 LYS 22 HD2 LYS 22 20.565 28.297 27.710 152 HD3 LYS 22 HD3 LYS 22 21.235 29.033 29.188 153 HE2 LYS 22 HE2 LYS 22 19.089 30.239 29.522 154 HE3 LYS 22 HE3 LYS 22 18.413 29.427 28.110 155 HZ1 LYS 22 HZ1 LYS 22 18.699 27.286 29.291 156 HZ2 LYS 22 HZ2 LYS 22 19.458 28.028 30.533 157 HZ3 LYS 22 HZ3 LYS 22 17.886 28.319 30.261 158 H CYS 23 H CYS 23 21.439 30.154 24.400 159 HA CYS 23 HA CYS 23 23.662 31.284 22.763 160 HB2 CYS 23 HB2 CYS 23 22.985 29.302 21.662 161 HB3 CYS 23 HB3 CYS 23 21.274 29.658 21.895 162 H TRP 24 H TRP 24 23.461 33.282 22.157 163 HA TRP 24 HA TRP 24 20.983 34.896 22.229 164 HB2 TRP 24 HB2 TRP 24 21.987 36.450 23.936 165 HB3 TRP 24 HB3 TRP 24 21.487 34.896 24.555 166 HD1 TRP 24 HD1 TRP 24 23.106 33.635 25.966 167 HE1 TRP 24 HE1 TRP 24 25.597 33.802 26.607 168 HE3 TRP 24 HE3 TRP 24 24.571 37.372 22.773 169 HZ2 TRP 24 HZ2 TRP 24 27.915 35.227 25.751 170 HZ3 TRP 24 HZ3 TRP 24 26.935 38.091 22.688 171 HH2 TRP 24 HH2 TRP 24 28.622 37.019 24.157 172 H GLY 25 H GLY 25 24.226 34.409 21.179 173 HA2 GLY 25 HA2 GLY 25 24.829 37.083 20.232 174 HA3 GLY 25 HA3 GLY 25 25.677 35.583 19.867 175 H ILE 26 H ILE 26 25.797 36.649 17.725 176 HA ILE 26 HA ILE 26 23.317 36.467 16.075 177 HB ILE 26 HB ILE 26 24.542 37.679 14.380 178 HG12 ILE 26 HG12 ILE 26 26.867 37.932 16.337 179 HG13 ILE 26 HG13 ILE 26 26.837 36.791 14.992 180 HG21 ILE 26 HG21 ILE 26 23.268 38.868 16.178 181 HG22 ILE 26 HG22 ILE 26 24.791 39.098 17.065 182 HG23 ILE 26 HG23 ILE 26 24.561 39.838 15.469 183 HD11 ILE 26 HD11 ILE 26 26.752 39.818 14.757 184 HD12 ILE 26 HD12 ILE 26 28.089 38.736 14.336 185 HD13 ILE 26 HD13 ILE 26 26.584 38.680 13.396 186 H GLN 27 H GLN 27 25.935 34.485 16.884 187 HA GLN 27 HA GLN 27 26.157 33.187 14.280 188 HB2 GLN 27 HB2 GLN 27 28.112 33.541 15.680 189 HB3 GLN 27 HB3 GLN 27 27.398 32.593 16.979 190 HG2 GLN 27 HG2 GLN 27 29.133 31.356 15.842 191 HG3 GLN 27 HG3 GLN 27 27.600 30.541 15.655 192 HE21 GLN 27 HE21 GLN 27 29.651 30.982 12.368 193 HE22 GLN 27 HE22 GLN 27 30.333 30.999 14.008 194 H TYR 28 H TYR 28 25.837 30.989 13.880 195 HA TYR 28 HA TYR 28 23.476 29.754 15.215 196 HB2 TYR 28 HB2 TYR 28 24.420 29.504 12.337 197 HB3 TYR 28 HB3 TYR 28 22.941 28.838 13.024 198 HD1 TYR 28 HD1 TYR 28 21.089 30.361 13.763 199 HD2 TYR 28 HD2 TYR 28 24.596 31.846 11.744 200 HE1 TYR 28 HE1 TYR 28 19.994 32.589 13.485 201 HE2 TYR 28 HE2 TYR 28 23.518 34.077 11.516 202 HH TYR 28 HH TYR 28 21.779 35.376 12.112 203 H LYS 29 H LYS 29 23.378 27.366 15.097 204 HA LYS 29 HA LYS 29 24.192 25.557 16.292 205 HB2 LYS 29 HB2 LYS 29 25.857 25.723 13.772 206 HB3 LYS 29 HB3 LYS 29 25.986 24.351 14.881 207 HG2 LYS 29 HG2 LYS 29 23.714 23.722 14.621 208 HG3 LYS 29 HG3 LYS 29 23.289 25.240 13.832 209 HD2 LYS 29 HD2 LYS 29 23.374 23.431 12.218 210 HD3 LYS 29 HD3 LYS 29 24.573 24.685 11.879 211 HE2 LYS 29 HE2 LYS 29 26.363 23.299 12.762 212 HE3 LYS 29 HE3 LYS 29 25.222 22.059 13.304 213 HZ1 LYS 29 HZ1 LYS 29 24.824 21.413 11.082 214 HZ2 LYS 29 HZ2 LYS 29 25.418 22.816 10.455 215 HZ3 LYS 29 HZ3 LYS 29 26.439 21.715 11.097 216 H TYR 30 H TYR 30 25.065 27.773 17.610 217 HA TYR 30 HA TYR 30 27.467 26.740 18.950 218 HB2 TYR 30 HB2 TYR 30 28.262 28.317 17.152 219 HB3 TYR 30 HB3 TYR 30 27.349 29.600 17.926 220 HD1 TYR 30 HD1 TYR 30 28.295 30.790 19.843 221 HD2 TYR 30 HD2 TYR 30 30.138 27.174 18.373 222 HE1 TYR 30 HE1 TYR 30 30.298 31.225 21.263 223 HE2 TYR 30 HE2 TYR 30 32.130 27.612 19.805 224 HH TYR 30 HH TYR 30 32.540 30.585 21.703 225 H CYS 31 H CYS 31 27.468 27.104 21.092 226 HA CYS 31 HA CYS 31 25.561 29.054 22.303 227 HB2 CYS 31 HB2 CYS 31 26.157 26.272 23.367 228 HB3 CYS 31 HB3 CYS 31 25.030 27.437 24.035 229 H GLN 32 H GLN 32 26.471 30.204 23.999 230 HA GLN 32 HA GLN 32 29.325 29.835 24.679 231 HB2 GLN 32 HB2 GLN 32 27.202 31.902 25.378 232 HB3 GLN 32 HB3 GLN 32 28.700 31.764 26.287 233 HG2 GLN 32 HG2 GLN 32 29.205 33.418 24.774 234 HG3 GLN 32 HG3 GLN 32 29.973 32.012 24.081 235 HE21 GLN 32 HE21 GLN 32 28.260 33.900 21.352 236 HE22 GLN 32 HE22 GLN 32 29.516 34.319 22.502 237 H CYS 33 H CYS 33 30.067 28.808 26.434 238 HA CYS 33 HA CYS 33 28.157 27.629 28.373 239 HB2 CYS 33 HB2 CYS 33 31.050 26.913 27.841 240 HB3 CYS 33 HB3 CYS 33 29.903 26.057 28.853 241 H TYR 34 H TYR 34 28.464 27.785 30.516 242 HA TYR 34 HA TYR 34 30.314 29.874 31.604 243 HB2 TYR 34 HB2 TYR 34 27.406 29.397 32.331 244 HB3 TYR 34 HB3 TYR 34 28.491 30.571 33.064 245 HD1 TYR 34 HD1 TYR 34 26.622 29.680 29.997 246 HD2 TYR 34 HD2 TYR 34 28.973 32.687 31.993 247 HE1 TYR 34 HE1 TYR 34 25.985 31.331 28.249 248 HE2 TYR 34 HE2 TYR 34 28.305 34.360 30.261 249 HH TYR 34 HH TYR 34 27.006 34.762 28.402 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 16.840 20.072 14.446 2 H2 GLY 1 H2 GLY 1 16.264 19.730 15.954 3 H3 GLY 1 H3 GLY 1 17.477 20.817 15.767 4 HA2 GLY 1 HA2 GLY 1 14.709 21.140 14.832 5 HA3 GLY 1 HA3 GLY 1 15.452 21.968 16.214 6 H MET 2 H MET 2 14.502 23.747 14.702 7 HA MET 2 HA MET 2 15.749 24.395 12.240 8 HB2 MET 2 HB2 MET 2 13.558 25.225 12.968 9 HB3 MET 2 HB3 MET 2 14.304 26.137 14.280 10 HG2 MET 2 HG2 MET 2 13.723 27.599 12.436 11 HG3 MET 2 HG3 MET 2 15.469 27.580 12.667 12 HE1 MET 2 HE1 MET 2 13.778 28.638 9.986 13 HE2 MET 2 HE2 MET 2 15.513 28.858 10.358 14 HE3 MET 2 HE3 MET 2 15.017 28.144 8.795 15 H ALA 3 H ALA 3 16.553 25.525 15.528 16 HA ALA 3 HA ALA 3 19.159 26.614 14.603 17 HB1 ALA 3 HB1 ALA 3 17.450 28.417 14.502 18 HB2 ALA 3 HB2 ALA 3 17.048 28.111 16.204 19 HB3 ALA 3 HB3 ALA 3 18.645 28.732 15.778 20 H CYS 4 H CYS 4 20.262 27.591 16.775 21 HA CYS 4 HA CYS 4 20.615 25.455 18.691 22 HB2 CYS 4 HB2 CYS 4 21.994 26.991 19.889 23 HB3 CYS 4 HB3 CYS 4 22.294 27.253 18.182 24 H GLN 5 H GLN 5 19.825 25.371 20.895 25 HA GLN 5 HA GLN 5 17.530 27.142 21.527 26 HB2 GLN 5 HB2 GLN 5 16.505 25.231 20.460 27 HB3 GLN 5 HB3 GLN 5 17.475 24.111 21.428 28 HG2 GLN 5 HG2 GLN 5 15.176 24.121 22.178 29 HG3 GLN 5 HG3 GLN 5 16.225 24.698 23.455 30 HE21 GLN 5 HE21 GLN 5 13.198 26.934 23.246 31 HE22 GLN 5 HE22 GLN 5 13.314 25.171 23.299 32 H PHE 6 H PHE 6 17.485 27.863 23.525 33 HA PHE 6 HA PHE 6 19.680 27.961 25.026 34 HB2 PHE 6 HB2 PHE 6 18.422 28.960 26.755 35 HB3 PHE 6 HB3 PHE 6 17.660 29.377 25.258 36 HD1 PHE 6 HD1 PHE 6 15.419 28.387 24.669 37 HD2 PHE 6 HD2 PHE 6 17.300 27.663 28.486 38 HE1 PHE 6 HE1 PHE 6 13.242 27.634 25.617 39 HE2 PHE 6 HE2 PHE 6 15.125 26.942 29.418 40 HZ PHE 6 HZ PHE 6 13.092 26.929 27.988 41 H TRP 7 H TRP 7 17.124 25.561 25.928 42 HA TRP 7 HA TRP 7 18.745 24.523 28.085 43 HB2 TRP 7 HB2 TRP 7 16.958 22.952 28.392 44 HB3 TRP 7 HB3 TRP 7 16.294 24.549 28.114 45 HD1 TRP 7 HD1 TRP 7 14.557 24.783 26.170 46 HE1 TRP 7 HE1 TRP 7 13.544 23.187 24.415 47 HE3 TRP 7 HE3 TRP 7 17.610 20.728 26.902 48 HZ2 TRP 7 HZ2 TRP 7 14.153 20.584 23.317 49 HZ3 TRP 7 HZ3 TRP 7 17.451 18.762 25.438 50 HH2 TRP 7 HH2 TRP 7 15.713 18.660 23.638 51 H SER 8 H SER 8 18.458 23.581 24.656 52 HA SER 8 HA SER 8 19.822 21.020 24.990 53 HB2 SER 8 HB2 SER 8 18.368 21.491 23.037 54 HB3 SER 8 HB3 SER 8 19.534 22.715 22.478 55 HG SER 8 HG SER 8 19.822 20.645 21.490 56 H CYS 9 H CYS 9 20.832 24.374 24.214 57 HA CYS 9 HA CYS 9 23.640 23.907 24.062 58 HB2 CYS 9 HB2 CYS 9 21.910 26.260 24.930 59 HB3 CYS 9 HB3 CYS 9 23.656 26.330 24.966 60 H ASN 10 H ASN 10 21.543 24.603 26.929 61 HA ASN 10 HA ASN 10 23.575 24.561 28.859 62 HB2 ASN 10 HB2 ASN 10 21.052 25.152 29.019 63 HB3 ASN 10 HB3 ASN 10 20.785 23.443 29.330 64 HD21 ASN 10 HD21 ASN 10 21.844 23.738 32.671 65 HD22 ASN 10 HD22 ASN 10 21.264 22.651 31.410 66 H SER 11 H SER 11 21.611 21.710 27.725 67 HA SER 11 HA SER 11 23.086 19.821 29.284 68 HB2 SER 11 HB2 SER 11 21.396 19.489 26.782 69 HB3 SER 11 HB3 SER 11 22.053 18.143 27.735 70 HG SER 11 HG SER 11 19.923 18.706 28.364 71 H SER 12 H SER 12 23.776 21.086 25.985 72 HA SER 12 HA SER 12 25.911 19.179 25.484 73 HB2 SER 12 HB2 SER 12 24.849 20.463 23.666 74 HB3 SER 12 HB3 SER 12 25.578 21.954 24.290 75 HG SER 12 HG SER 12 27.492 21.341 23.525 76 H CYS 13 H CYS 13 25.945 22.576 26.723 77 HA CYS 13 HA CYS 13 28.716 22.759 27.245 78 HB2 CYS 13 HB2 CYS 13 26.290 23.973 28.603 79 HB3 CYS 13 HB3 CYS 13 27.932 24.444 29.008 80 H ILE 14 H ILE 14 26.121 21.446 29.395 81 HA ILE 14 HA ILE 14 27.836 20.657 31.535 82 HB ILE 14 HB ILE 14 25.131 19.716 30.584 83 HG12 ILE 14 HG12 ILE 14 25.994 21.145 33.143 84 HG13 ILE 14 HG13 ILE 14 25.527 22.005 31.681 85 HG21 ILE 14 HG21 ILE 14 26.658 18.690 33.011 86 HG22 ILE 14 HG22 ILE 14 24.926 18.436 32.722 87 HG23 ILE 14 HG23 ILE 14 26.096 17.727 31.624 88 HD11 ILE 14 HD11 ILE 14 23.718 20.197 33.330 89 HD12 ILE 14 HD12 ILE 14 23.643 21.953 33.163 90 HD13 ILE 14 HD13 ILE 14 23.278 20.922 31.765 91 H SER 15 H SER 15 26.985 18.841 28.559 92 HA SER 15 HA SER 15 28.431 16.467 29.225 93 HB2 SER 15 HB2 SER 15 26.834 16.544 27.370 94 HB3 SER 15 HB3 SER 15 27.859 17.694 26.499 95 HG SER 15 HG SER 15 28.313 14.980 27.090 96 H ARG 16 H ARG 16 29.537 19.485 27.611 97 HA ARG 16 HA ARG 16 32.244 18.533 27.124 98 HB2 ARG 16 HB2 ARG 16 31.234 21.392 27.330 99 HB3 ARG 16 HB3 ARG 16 32.739 20.859 26.593 100 HG2 ARG 16 HG2 ARG 16 29.923 20.394 25.542 101 HG3 ARG 16 HG3 ARG 16 31.159 21.432 24.912 102 HD2 ARG 16 HD2 ARG 16 31.137 19.621 23.468 103 HD3 ARG 16 HD3 ARG 16 32.556 19.323 24.486 104 HE ARG 16 HE ARG 16 30.126 18.012 25.455 105 HH11 ARG 16 HH11 ARG 16 32.500 17.640 22.911 106 HH12 ARG 16 HH12 ARG 16 32.314 15.903 22.893 107 HH21 ARG 16 HH21 ARG 16 30.001 15.767 25.399 108 HH22 ARG 16 HH22 ARG 16 31.059 14.902 24.295 109 H GLY 17 H GLY 17 30.746 19.999 29.912 110 HA2 GLY 17 HA2 GLY 17 32.009 19.194 31.971 111 HA3 GLY 17 HA3 GLY 17 33.386 20.088 31.348 112 H TYR 18 H TYR 18 30.757 22.002 30.605 113 HA TYR 18 HA TYR 18 31.357 23.900 32.748 114 HB2 TYR 18 HB2 TYR 18 29.330 23.958 30.503 115 HB3 TYR 18 HB3 TYR 18 29.698 25.306 31.557 116 HD1 TYR 18 HD1 TYR 18 30.960 23.243 28.751 117 HD2 TYR 18 HD2 TYR 18 31.704 26.624 31.317 118 HE1 TYR 18 HE1 TYR 18 32.751 24.001 27.211 119 HE2 TYR 18 HE2 TYR 18 33.470 27.419 29.735 120 HH TYR 18 HH TYR 18 34.490 25.445 26.951 121 H ARG 19 H ARG 19 29.543 24.975 33.895 122 HA ARG 19 HA ARG 19 27.681 23.005 35.099 123 HB2 ARG 19 HB2 ARG 19 28.373 25.883 35.793 124 HB3 ARG 19 HB3 ARG 19 27.286 24.842 36.729 125 HG2 ARG 19 HG2 ARG 19 29.122 23.290 37.223 126 HG3 ARG 19 HG3 ARG 19 30.222 24.188 36.176 127 HD2 ARG 19 HD2 ARG 19 30.727 24.794 38.430 128 HD3 ARG 19 HD3 ARG 19 29.993 26.185 37.619 129 HE ARG 19 HE ARG 19 28.123 24.451 39.115 130 HH11 ARG 19 HH11 ARG 19 30.195 27.270 39.548 131 HH12 ARG 19 HH12 ARG 19 29.115 27.916 40.765 132 HH21 ARG 19 HH21 ARG 19 26.877 25.324 40.534 133 HH22 ARG 19 HH22 ARG 19 27.138 26.963 41.135 134 H GLN 20 H GLN 20 27.443 25.896 33.021 135 HA GLN 20 HA GLN 20 24.631 25.163 32.393 136 HB2 GLN 20 HB2 GLN 20 25.496 27.941 33.263 137 HB3 GLN 20 HB3 GLN 20 23.919 27.530 32.615 138 HG2 GLN 20 HG2 GLN 20 24.920 26.345 35.221 139 HG3 GLN 20 HG3 GLN 20 24.126 27.900 35.119 140 HE21 GLN 20 HE21 GLN 20 21.832 24.558 34.609 141 HE22 GLN 20 HE22 GLN 20 23.607 24.412 34.486 142 H GLY 21 H GLY 21 23.777 26.518 30.533 143 HA2 GLY 21 HA2 GLY 21 25.557 28.044 28.865 144 HA3 GLY 21 HA3 GLY 21 25.297 26.437 28.189 145 H LYS 22 H LYS 22 24.624 28.770 26.874 146 HA LYS 22 HA LYS 22 21.736 28.533 26.316 147 HB2 LYS 22 HB2 LYS 22 22.926 31.180 27.268 148 HB3 LYS 22 HB3 LYS 22 21.302 30.977 26.645 149 HG2 LYS 22 HG2 LYS 22 22.297 29.759 29.245 150 HG3 LYS 22 HG3 LYS 22 21.412 31.256 29.097 151 HD2 LYS 22 HD2 LYS 22 19.447 30.189 28.311 152 HD3 LYS 22 HD3 LYS 22 20.254 28.620 28.106 153 HE2 LYS 22 HE2 LYS 22 20.101 29.983 30.810 154 HE3 LYS 22 HE3 LYS 22 18.737 29.038 30.210 155 HZ1 LYS 22 HZ1 LYS 22 20.339 27.776 31.601 156 HZ2 LYS 22 HZ2 LYS 22 20.058 27.082 30.160 157 HZ3 LYS 22 HZ3 LYS 22 21.468 27.900 30.405 158 H CYS 23 H CYS 23 21.228 30.478 24.538 159 HA CYS 23 HA CYS 23 23.544 31.359 23.064 160 HB2 CYS 23 HB2 CYS 23 23.036 30.471 20.952 161 HB3 CYS 23 HB3 CYS 23 23.175 29.109 22.039 162 H TRP 24 H TRP 24 23.120 33.191 21.753 163 HA TRP 24 HA TRP 24 20.462 33.944 20.949 164 HB2 TRP 24 HB2 TRP 24 20.329 36.098 22.160 165 HB3 TRP 24 HB3 TRP 24 20.149 34.705 23.188 166 HD1 TRP 24 HD1 TRP 24 21.912 34.263 25.034 167 HE1 TRP 24 HE1 TRP 24 23.552 35.782 26.252 168 HE3 TRP 24 HE3 TRP 24 22.031 38.155 21.701 169 HZ2 TRP 24 HZ2 TRP 24 24.905 38.299 25.768 170 HZ3 TRP 24 HZ3 TRP 24 23.410 40.160 22.179 171 HH2 TRP 24 HH2 TRP 24 24.863 40.237 24.195 172 H GLY 25 H GLY 25 20.465 36.147 19.843 173 HA2 GLY 25 HA2 GLY 25 21.327 37.696 18.378 174 HA3 GLY 25 HA3 GLY 25 22.951 37.298 18.930 175 H ILE 26 H ILE 26 22.278 34.370 18.106 176 HA ILE 26 HA ILE 26 22.465 34.499 15.142 177 HB ILE 26 HB ILE 26 24.520 33.423 17.106 178 HG12 ILE 26 HG12 ILE 26 24.717 35.210 14.632 179 HG13 ILE 26 HG13 ILE 26 24.797 35.738 16.311 180 HG21 ILE 26 HG21 ILE 26 24.280 32.639 14.178 181 HG22 ILE 26 HG22 ILE 26 25.670 32.295 15.236 182 HG23 ILE 26 HG23 ILE 26 24.140 31.562 15.608 183 HD11 ILE 26 HD11 ILE 26 27.004 35.764 15.469 184 HD12 ILE 26 HD12 ILE 26 26.893 34.419 16.620 185 HD13 ILE 26 HD13 ILE 26 26.894 34.111 14.863 186 H GLN 27 H GLN 27 21.866 32.502 14.100 187 HA GLN 27 HA GLN 27 20.233 30.668 15.811 188 HB2 GLN 27 HB2 GLN 27 20.162 31.214 12.819 189 HB3 GLN 27 HB3 GLN 27 19.213 29.984 13.648 190 HG2 GLN 27 HG2 GLN 27 18.215 31.827 15.094 191 HG3 GLN 27 HG3 GLN 27 19.030 32.994 14.046 192 HE21 GLN 27 HE21 GLN 27 16.278 32.900 11.821 193 HE22 GLN 27 HE22 GLN 27 17.399 33.893 12.776 194 H TYR 28 H TYR 28 23.169 30.619 13.889 195 HA TYR 28 HA TYR 28 23.351 27.906 13.160 196 HB2 TYR 28 HB2 TYR 28 25.641 29.559 14.240 197 HB3 TYR 28 HB3 TYR 28 25.729 28.205 13.126 198 HD1 TYR 28 HD1 TYR 28 26.360 31.505 13.178 199 HD2 TYR 28 HD2 TYR 28 23.891 28.744 10.961 200 HE1 TYR 28 HE1 TYR 28 26.286 33.096 11.272 201 HE2 TYR 28 HE2 TYR 28 23.878 30.315 9.032 202 HH TYR 28 HH TYR 28 24.402 32.564 8.317 203 H LYS 29 H LYS 29 24.356 26.026 14.228 204 HA LYS 29 HA LYS 29 23.180 25.749 16.821 205 HB2 LYS 29 HB2 LYS 29 24.992 23.768 15.390 206 HB3 LYS 29 HB3 LYS 29 23.904 23.399 16.725 207 HG2 LYS 29 HG2 LYS 29 23.071 24.210 13.937 208 HG3 LYS 29 HG3 LYS 29 22.978 22.604 14.659 209 HD2 LYS 29 HD2 LYS 29 21.394 23.596 16.399 210 HD3 LYS 29 HD3 LYS 29 21.364 25.072 15.421 211 HE2 LYS 29 HE2 LYS 29 20.524 22.277 14.544 212 HE3 LYS 29 HE3 LYS 29 19.431 23.605 14.924 213 HZ1 LYS 29 HZ1 LYS 29 20.401 24.834 13.027 214 HZ2 LYS 29 HZ2 LYS 29 21.386 23.592 12.677 215 HZ3 LYS 29 HZ3 LYS 29 19.771 23.372 12.534 216 H TYR 30 H TYR 30 25.741 27.397 16.667 217 HA TYR 30 HA TYR 30 27.490 26.185 18.666 218 HB2 TYR 30 HB2 TYR 30 28.310 27.802 16.979 219 HB3 TYR 30 HB3 TYR 30 27.331 29.062 17.719 220 HD1 TYR 30 HD1 TYR 30 28.209 30.318 19.582 221 HD2 TYR 30 HD2 TYR 30 30.078 26.611 18.402 222 HE1 TYR 30 HE1 TYR 30 30.055 30.724 21.200 223 HE2 TYR 30 HE2 TYR 30 31.920 27.023 20.016 224 HH TYR 30 HH TYR 30 31.915 29.833 22.191 225 H CYS 31 H CYS 31 27.799 26.906 20.836 226 HA CYS 31 HA CYS 31 25.474 28.259 22.141 227 HB2 CYS 31 HB2 CYS 31 26.720 25.590 22.867 228 HB3 CYS 31 HB3 CYS 31 25.586 26.466 23.890 229 H GLN 32 H GLN 32 25.930 29.478 23.894 230 HA GLN 32 HA GLN 32 28.744 29.973 24.702 231 HB2 GLN 32 HB2 GLN 32 26.116 31.322 25.431 232 HB3 GLN 32 HB3 GLN 32 27.693 31.802 26.050 233 HG2 GLN 32 HG2 GLN 32 28.160 33.026 24.224 234 HG3 GLN 32 HG3 GLN 32 27.771 31.714 23.121 235 HE21 GLN 32 HE21 GLN 32 24.827 34.461 24.013 236 HE22 GLN 32 HE22 GLN 32 26.117 34.212 25.185 237 H CYS 33 H CYS 33 29.501 29.467 26.778 238 HA CYS 33 HA CYS 33 27.674 27.927 28.568 239 HB2 CYS 33 HB2 CYS 33 30.584 27.312 28.096 240 HB3 CYS 33 HB3 CYS 33 29.415 26.401 29.045 241 H TYR 34 H TYR 34 28.141 27.958 30.765 242 HA TYR 34 HA TYR 34 29.735 30.293 31.769 243 HB2 TYR 34 HB2 TYR 34 27.014 29.524 32.827 244 HB3 TYR 34 HB3 TYR 34 27.931 30.979 33.161 245 HD1 TYR 34 HD1 TYR 34 28.279 32.678 31.273 246 HD2 TYR 34 HD2 TYR 34 25.509 29.387 30.999 247 HE1 TYR 34 HE1 TYR 34 27.188 33.745 29.305 248 HE2 TYR 34 HE2 TYR 34 24.452 30.452 29.010 249 HH TYR 34 HH TYR 34 25.750 33.412 27.534 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 21.378 15.962 15.094 2 H2 GLY 1 H2 GLY 1 21.104 17.309 14.176 3 H3 GLY 1 H3 GLY 1 19.846 16.403 14.726 4 HA2 GLY 1 HA2 GLY 1 20.467 16.920 17.027 5 HA3 GLY 1 HA3 GLY 1 21.681 18.026 16.358 6 H MET 2 H MET 2 19.219 18.472 18.049 7 HA MET 2 HA MET 2 17.339 19.955 16.440 8 HB2 MET 2 HB2 MET 2 16.341 20.615 18.484 9 HB3 MET 2 HB3 MET 2 16.779 18.927 18.627 10 HG2 MET 2 HG2 MET 2 18.276 21.287 19.835 11 HG3 MET 2 HG3 MET 2 17.197 20.212 20.692 12 HE1 MET 2 HE1 MET 2 17.842 17.718 21.519 13 HE2 MET 2 HE2 MET 2 17.907 17.314 19.791 14 HE3 MET 2 HE3 MET 2 19.240 16.850 20.866 15 H ALA 3 H ALA 3 17.090 22.206 16.218 16 HA ALA 3 HA ALA 3 19.449 23.778 15.985 17 HB1 ALA 3 HB1 ALA 3 17.863 25.601 15.459 18 HB2 ALA 3 HB2 ALA 3 17.450 24.098 14.619 19 HB3 ALA 3 HB3 ALA 3 16.520 24.599 16.047 20 H CYS 4 H CYS 4 19.907 25.836 16.948 21 HA CYS 4 HA CYS 4 20.673 25.602 19.581 22 HB2 CYS 4 HB2 CYS 4 21.625 27.051 17.815 23 HB3 CYS 4 HB3 CYS 4 20.260 28.148 17.968 24 H GLN 5 H GLN 5 19.639 25.654 21.475 25 HA GLN 5 HA GLN 5 17.402 27.501 21.926 26 HB2 GLN 5 HB2 GLN 5 16.545 25.401 20.826 27 HB3 GLN 5 HB3 GLN 5 17.176 24.466 22.177 28 HG2 GLN 5 HG2 GLN 5 14.768 24.770 22.321 29 HG3 GLN 5 HG3 GLN 5 15.548 25.544 23.690 30 HE21 GLN 5 HE21 GLN 5 13.129 27.789 21.430 31 HE22 GLN 5 HE22 GLN 5 13.187 26.025 21.276 32 H PHE 6 H PHE 6 16.747 27.674 24.161 33 HA PHE 6 HA PHE 6 18.893 28.169 25.791 34 HB2 PHE 6 HB2 PHE 6 17.364 28.682 27.529 35 HB3 PHE 6 HB3 PHE 6 16.602 29.113 26.025 36 HD1 PHE 6 HD1 PHE 6 16.490 26.887 28.969 37 HD2 PHE 6 HD2 PHE 6 14.634 27.802 25.181 38 HE1 PHE 6 HE1 PHE 6 14.490 25.588 29.632 39 HE2 PHE 6 HE2 PHE 6 12.652 26.460 25.830 40 HZ PHE 6 HZ PHE 6 12.567 25.372 28.068 41 H TRP 7 H TRP 7 17.008 25.151 25.885 42 HA TRP 7 HA TRP 7 18.657 24.064 28.078 43 HB2 TRP 7 HB2 TRP 7 17.063 22.271 28.078 44 HB3 TRP 7 HB3 TRP 7 16.209 23.803 28.068 45 HD1 TRP 7 HD1 TRP 7 14.611 24.274 26.054 46 HE1 TRP 7 HE1 TRP 7 13.834 23.001 23.992 47 HE3 TRP 7 HE3 TRP 7 17.845 20.338 26.353 48 HZ2 TRP 7 HZ2 TRP 7 14.666 20.612 22.525 49 HZ3 TRP 7 HZ3 TRP 7 17.893 18.610 24.601 50 HH2 TRP 7 HH2 TRP 7 16.272 18.708 22.686 51 H SER 8 H SER 8 18.407 23.662 24.510 52 HA SER 8 HA SER 8 19.762 21.140 24.441 53 HB2 SER 8 HB2 SER 8 19.878 21.392 22.126 54 HB3 SER 8 HB3 SER 8 18.346 22.133 22.586 55 HG SER 8 HG SER 8 20.274 23.147 21.157 56 H CYS 9 H CYS 9 20.905 24.507 24.141 57 HA CYS 9 HA CYS 9 23.706 23.934 24.097 58 HB2 CYS 9 HB2 CYS 9 22.012 26.315 24.941 59 HB3 CYS 9 HB3 CYS 9 23.766 26.325 25.030 60 H ASN 10 H ASN 10 21.430 24.400 26.855 61 HA ASN 10 HA ASN 10 23.409 24.435 28.888 62 HB2 ASN 10 HB2 ASN 10 20.889 24.979 29.037 63 HB3 ASN 10 HB3 ASN 10 20.624 23.253 29.230 64 HD21 ASN 10 HD21 ASN 10 21.263 23.498 32.675 65 HD22 ASN 10 HD22 ASN 10 20.457 22.670 31.351 66 H SER 11 H SER 11 21.495 21.584 27.709 67 HA SER 11 HA SER 11 22.957 19.650 29.207 68 HB2 SER 11 HB2 SER 11 20.779 19.203 28.240 69 HB3 SER 11 HB3 SER 11 21.412 19.457 26.599 70 HG SER 11 HG SER 11 22.187 17.382 28.420 71 H SER 12 H SER 12 23.678 21.089 26.001 72 HA SER 12 HA SER 12 25.789 19.244 25.335 73 HB2 SER 12 HB2 SER 12 24.556 20.622 23.691 74 HB3 SER 12 HB3 SER 12 25.331 22.080 24.337 75 HG SER 12 HG SER 12 26.203 20.560 22.450 76 H CYS 13 H CYS 13 25.899 22.583 26.700 77 HA CYS 13 HA CYS 13 28.728 22.654 27.113 78 HB2 CYS 13 HB2 CYS 13 26.428 24.074 28.485 79 HB3 CYS 13 HB3 CYS 13 28.117 24.470 28.768 80 H ILE 14 H ILE 14 26.081 21.575 29.327 81 HA ILE 14 HA ILE 14 27.825 20.963 31.529 82 HB ILE 14 HB ILE 14 25.024 20.099 30.785 83 HG12 ILE 14 HG12 ILE 14 26.090 21.841 33.066 84 HG13 ILE 14 HG13 ILE 14 25.572 22.495 31.518 85 HG21 ILE 14 HG21 ILE 14 26.529 19.372 33.334 86 HG22 ILE 14 HG22 ILE 14 24.793 19.129 33.061 87 HG23 ILE 14 HG23 ILE 14 25.945 18.231 32.096 88 HD11 ILE 14 HD11 ILE 14 23.288 21.520 31.900 89 HD12 ILE 14 HD12 ILE 14 23.802 21.089 33.548 90 HD13 ILE 14 HD13 ILE 14 23.769 22.784 33.047 91 H SER 15 H SER 15 26.887 19.052 28.671 92 HA SER 15 HA SER 15 28.203 16.642 29.564 93 HB2 SER 15 HB2 SER 15 27.555 17.512 26.732 94 HB3 SER 15 HB3 SER 15 28.001 15.883 27.290 95 HG SER 15 HG SER 15 25.683 17.397 27.926 96 H ARG 16 H ARG 16 29.355 19.316 27.402 97 HA ARG 16 HA ARG 16 32.080 18.512 27.184 98 HB2 ARG 16 HB2 ARG 16 30.925 21.329 27.421 99 HB3 ARG 16 HB3 ARG 16 32.541 20.961 26.856 100 HG2 ARG 16 HG2 ARG 16 29.983 20.156 25.407 101 HG3 ARG 16 HG3 ARG 16 30.959 21.573 25.071 102 HD2 ARG 16 HD2 ARG 16 31.550 19.950 23.460 103 HD3 ARG 16 HD3 ARG 16 32.910 20.047 24.591 104 HE ARG 16 HE ARG 16 30.800 17.984 25.038 105 HH11 ARG 16 HH11 ARG 16 34.169 18.478 24.050 106 HH12 ARG 16 HH12 ARG 16 34.601 16.927 24.742 107 HH21 ARG 16 HH21 ARG 16 31.362 16.003 25.411 108 HH22 ARG 16 HH22 ARG 16 33.037 15.479 25.393 109 H GLY 17 H GLY 17 30.504 19.841 29.970 110 HA2 GLY 17 HA2 GLY 17 31.481 19.165 32.099 111 HA3 GLY 17 HA3 GLY 17 33.079 19.589 31.496 112 H TYR 18 H TYR 18 30.733 21.960 30.628 113 HA TYR 18 HA TYR 18 31.670 23.877 32.663 114 HB2 TYR 18 HB2 TYR 18 29.597 24.111 30.464 115 HB3 TYR 18 HB3 TYR 18 30.079 25.414 31.529 116 HD1 TYR 18 HD1 TYR 18 31.138 23.300 28.692 117 HD2 TYR 18 HD2 TYR 18 32.179 26.598 31.266 118 HE1 TYR 18 HE1 TYR 18 32.888 24.002 27.076 119 HE2 TYR 18 HE2 TYR 18 33.938 27.302 29.637 120 HH TYR 18 HH TYR 18 34.663 25.402 26.695 121 H ARG 19 H ARG 19 29.963 25.130 33.903 122 HA ARG 19 HA ARG 19 28.010 23.282 35.165 123 HB2 ARG 19 HB2 ARG 19 28.986 26.091 35.762 124 HB3 ARG 19 HB3 ARG 19 27.654 25.346 36.635 125 HG2 ARG 19 HG2 ARG 19 30.367 23.993 36.475 126 HG3 ARG 19 HG3 ARG 19 29.989 25.208 37.694 127 HD2 ARG 19 HD2 ARG 19 28.084 23.867 38.506 128 HD3 ARG 19 HD3 ARG 19 28.422 22.638 37.290 129 HE ARG 19 HE ARG 19 30.225 23.375 39.572 130 HH11 ARG 19 HH11 ARG 19 28.997 20.719 37.564 131 HH12 ARG 19 HH12 ARG 19 30.211 19.633 38.223 132 HH21 ARG 19 HH21 ARG 19 31.633 21.987 40.259 133 HH22 ARG 19 HH22 ARG 19 31.693 20.327 39.700 134 H GLN 20 H GLN 20 27.860 26.017 32.912 135 HA GLN 20 HA GLN 20 24.952 25.419 32.487 136 HB2 GLN 20 HB2 GLN 20 26.273 28.086 33.089 137 HB3 GLN 20 HB3 GLN 20 24.736 27.984 32.245 138 HG2 GLN 20 HG2 GLN 20 23.805 26.705 34.177 139 HG3 GLN 20 HG3 GLN 20 25.292 27.018 35.073 140 HE21 GLN 20 HE21 GLN 20 22.846 29.696 35.970 141 HE22 GLN 20 HE22 GLN 20 22.912 27.947 36.168 142 H GLY 21 H GLY 21 24.042 26.271 30.511 143 HA2 GLY 21 HA2 GLY 21 25.800 27.513 28.532 144 HA3 GLY 21 HA3 GLY 21 25.187 25.925 28.065 145 H LYS 22 H LYS 22 24.714 28.610 26.880 146 HA LYS 22 HA LYS 22 21.766 28.481 26.623 147 HB2 LYS 22 HB2 LYS 22 23.320 30.916 27.608 148 HB3 LYS 22 HB3 LYS 22 21.736 31.081 26.870 149 HG2 LYS 22 HG2 LYS 22 22.274 29.437 29.369 150 HG3 LYS 22 HG3 LYS 22 21.696 31.089 29.356 151 HD2 LYS 22 HD2 LYS 22 19.617 30.560 28.465 152 HD3 LYS 22 HD3 LYS 22 20.125 29.016 27.801 153 HE2 LYS 22 HE2 LYS 22 20.114 29.490 30.794 154 HE3 LYS 22 HE3 LYS 22 18.638 29.029 29.936 155 HZ1 LYS 22 HZ1 LYS 22 19.720 27.027 29.162 156 HZ2 LYS 22 HZ2 LYS 22 21.153 27.467 29.796 157 HZ3 LYS 22 HZ3 LYS 22 19.899 27.104 30.802 158 H CYS 23 H CYS 23 20.895 29.904 24.985 159 HA CYS 23 HA CYS 23 22.665 30.220 22.589 160 HB2 CYS 23 HB2 CYS 23 20.906 28.409 22.457 161 HB3 CYS 23 HB3 CYS 23 19.680 29.648 22.735 162 H TRP 24 H TRP 24 22.869 32.353 21.883 163 HA TRP 24 HA TRP 24 20.677 34.192 21.912 164 HB2 TRP 24 HB2 TRP 24 21.542 35.924 23.391 165 HB3 TRP 24 HB3 TRP 24 21.139 34.482 24.284 166 HD1 TRP 24 HD1 TRP 24 22.966 33.450 25.762 167 HE1 TRP 24 HE1 TRP 24 25.373 34.103 26.414 168 HE3 TRP 24 HE3 TRP 24 23.786 37.143 22.295 169 HZ2 TRP 24 HZ2 TRP 24 27.420 35.880 25.456 170 HZ3 TRP 24 HZ3 TRP 24 25.998 38.259 22.154 171 HH2 TRP 24 HH2 TRP 24 27.818 37.633 23.739 172 H GLY 25 H GLY 25 20.992 36.046 20.723 173 HA2 GLY 25 HA2 GLY 25 21.929 37.504 19.215 174 HA3 GLY 25 HA3 GLY 25 23.543 36.976 19.710 175 H ILE 26 H ILE 26 23.990 34.615 19.010 176 HA ILE 26 HA ILE 26 23.561 34.280 16.099 177 HB ILE 26 HB ILE 26 25.190 32.662 18.089 178 HG12 ILE 26 HG12 ILE 26 26.197 34.851 17.895 179 HG13 ILE 26 HG13 ILE 26 27.186 33.656 17.093 180 HG21 ILE 26 HG21 ILE 26 24.973 32.467 15.071 181 HG22 ILE 26 HG22 ILE 26 26.289 31.744 16.013 182 HG23 ILE 26 HG23 ILE 26 24.624 31.207 16.284 183 HD11 ILE 26 HD11 ILE 26 27.120 35.691 15.770 184 HD12 ILE 26 HD12 ILE 26 26.292 34.401 14.880 185 HD13 ILE 26 HD13 ILE 26 25.351 35.662 15.714 186 H GLN 27 H GLN 27 21.998 32.981 15.316 187 HA GLN 27 HA GLN 27 20.652 31.047 17.137 188 HB2 GLN 27 HB2 GLN 27 19.380 32.955 16.051 189 HB3 GLN 27 HB3 GLN 27 19.636 32.139 14.503 190 HG2 GLN 27 HG2 GLN 27 17.411 31.664 15.410 191 HG3 GLN 27 HG3 GLN 27 18.349 30.189 15.305 192 HE21 GLN 27 HE21 GLN 27 17.219 29.511 18.594 193 HE22 GLN 27 HE22 GLN 27 17.129 29.089 16.891 194 H TYR 28 H TYR 28 22.866 31.037 14.548 195 HA TYR 28 HA TYR 28 22.342 28.353 13.552 196 HB2 TYR 28 HB2 TYR 28 23.643 30.160 12.353 197 HB3 TYR 28 HB3 TYR 28 24.929 29.946 13.535 198 HD1 TYR 28 HD1 TYR 28 26.526 28.145 13.256 199 HD2 TYR 28 HD2 TYR 28 22.944 28.252 10.865 200 HE1 TYR 28 HE1 TYR 28 27.373 26.231 11.897 201 HE2 TYR 28 HE2 TYR 28 23.776 26.337 9.525 202 HH TYR 28 HH TYR 28 25.552 24.964 9.094 203 H LYS 29 H LYS 29 24.146 26.606 13.898 204 HA LYS 29 HA LYS 29 24.134 25.784 16.574 205 HB2 LYS 29 HB2 LYS 29 24.077 24.452 14.471 206 HB3 LYS 29 HB3 LYS 29 25.803 24.750 14.247 207 HG2 LYS 29 HG2 LYS 29 26.327 23.506 16.282 208 HG3 LYS 29 HG3 LYS 29 24.610 23.430 16.730 209 HD2 LYS 29 HD2 LYS 29 24.151 22.126 14.671 210 HD3 LYS 29 HD3 LYS 29 25.878 22.144 14.286 211 HE2 LYS 29 HE2 LYS 29 26.377 21.033 16.477 212 HE3 LYS 29 HE3 LYS 29 24.650 21.038 16.861 213 HZ1 LYS 29 HZ1 LYS 29 24.310 19.571 14.910 214 HZ2 LYS 29 HZ2 LYS 29 25.937 19.480 14.681 215 HZ3 LYS 29 HZ3 LYS 29 25.258 18.885 16.050 216 H TYR 30 H TYR 30 25.076 27.763 17.502 217 HA TYR 30 HA TYR 30 27.767 27.095 18.511 218 HB2 TYR 30 HB2 TYR 30 27.008 29.856 17.494 219 HB3 TYR 30 HB3 TYR 30 28.407 29.510 18.494 220 HD1 TYR 30 HD1 TYR 30 27.237 29.781 15.116 221 HD2 TYR 30 HD2 TYR 30 30.162 27.814 17.604 222 HE1 TYR 30 HE1 TYR 30 28.657 29.377 13.119 223 HE2 TYR 30 HE2 TYR 30 31.577 27.405 15.602 224 HH TYR 30 HH TYR 30 30.565 28.413 12.299 225 H CYS 31 H CYS 31 27.547 26.879 20.650 226 HA CYS 31 HA CYS 31 25.434 28.393 22.125 227 HB2 CYS 31 HB2 CYS 31 26.980 25.861 22.762 228 HB3 CYS 31 HB3 CYS 31 25.842 26.639 23.870 229 H GLN 32 H GLN 32 25.906 29.478 24.038 230 HA GLN 32 HA GLN 32 28.785 30.076 24.625 231 HB2 GLN 32 HB2 GLN 32 26.185 31.467 25.379 232 HB3 GLN 32 HB3 GLN 32 27.738 31.820 26.137 233 HG2 GLN 32 HG2 GLN 32 27.288 33.446 24.401 234 HG3 GLN 32 HG3 GLN 32 28.711 32.507 24.013 235 HE21 GLN 32 HE21 GLN 32 25.303 31.964 21.707 236 HE22 GLN 32 HE22 GLN 32 25.150 32.555 23.358 237 H CYS 33 H CYS 33 29.734 29.146 26.381 238 HA CYS 33 HA CYS 33 28.015 27.702 28.343 239 HB2 CYS 33 HB2 CYS 33 30.866 27.077 27.563 240 HB3 CYS 33 HB3 CYS 33 29.803 26.151 28.612 241 H TYR 34 H TYR 34 28.469 27.839 30.476 242 HA TYR 34 HA TYR 34 30.436 29.890 31.413 243 HB2 TYR 34 HB2 TYR 34 27.560 29.664 32.344 244 HB3 TYR 34 HB3 TYR 34 28.743 30.843 32.866 245 HD1 TYR 34 HD1 TYR 34 29.342 32.748 31.453 246 HD2 TYR 34 HD2 TYR 34 26.491 29.802 30.130 247 HE1 TYR 34 HE1 TYR 34 28.587 34.284 29.662 248 HE2 TYR 34 HE2 TYR 34 25.760 31.322 28.307 249 HH TYR 34 HH TYR 34 27.089 34.653 28.006 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 20.957 22.142 15.661 2 H2 GLY 1 H2 GLY 1 21.372 21.047 14.505 3 H3 GLY 1 H3 GLY 1 20.164 20.705 15.568 4 HA2 GLY 1 HA2 GLY 1 19.262 21.280 13.417 5 HA3 GLY 1 HA3 GLY 1 18.779 22.420 14.691 6 H MET 2 H MET 2 18.427 24.041 13.042 7 HA MET 2 HA MET 2 20.922 25.240 11.899 8 HB2 MET 2 HB2 MET 2 19.536 26.524 10.452 9 HB3 MET 2 HB3 MET 2 19.117 24.823 10.299 10 HG2 MET 2 HG2 MET 2 17.046 25.112 11.404 11 HG3 MET 2 HG3 MET 2 17.513 26.665 12.113 12 HE1 MET 2 HE1 MET 2 14.984 27.382 11.336 13 HE2 MET 2 HE2 MET 2 14.475 27.419 9.632 14 HE3 MET 2 HE3 MET 2 14.747 25.862 10.444 15 H ALA 3 H ALA 3 19.030 25.616 14.662 16 HA ALA 3 HA ALA 3 20.030 28.348 15.183 17 HB1 ALA 3 HB1 ALA 3 17.108 27.499 15.453 18 HB2 ALA 3 HB2 ALA 3 17.793 29.077 15.899 19 HB3 ALA 3 HB3 ALA 3 17.745 28.584 14.199 20 H CYS 4 H CYS 4 19.736 28.928 17.534 21 HA CYS 4 HA CYS 4 20.660 26.773 19.213 22 HB2 CYS 4 HB2 CYS 4 19.858 29.641 19.707 23 HB3 CYS 4 HB3 CYS 4 20.370 28.571 21.010 24 H GLN 5 H GLN 5 19.686 25.582 20.740 25 HA GLN 5 HA GLN 5 16.885 26.197 21.610 26 HB2 GLN 5 HB2 GLN 5 16.925 24.174 20.233 27 HB3 GLN 5 HB3 GLN 5 18.225 23.511 21.198 28 HG2 GLN 5 HG2 GLN 5 16.166 22.423 21.796 29 HG3 GLN 5 HG3 GLN 5 16.685 23.387 23.170 30 HE21 GLN 5 HE21 GLN 5 13.045 24.081 21.570 31 HE22 GLN 5 HE22 GLN 5 13.967 22.619 21.254 32 H PHE 6 H PHE 6 17.271 27.282 23.476 33 HA PHE 6 HA PHE 6 19.450 27.455 24.997 34 HB2 PHE 6 HB2 PHE 6 18.119 28.382 26.749 35 HB3 PHE 6 HB3 PHE 6 17.406 28.815 25.207 36 HD1 PHE 6 HD1 PHE 6 15.321 27.543 24.410 37 HD2 PHE 6 HD2 PHE 6 16.851 27.196 28.419 38 HE1 PHE 6 HE1 PHE 6 13.127 26.669 25.170 39 HE2 PHE 6 HE2 PHE 6 14.650 26.369 29.189 40 HZ PHE 6 HZ PHE 6 12.779 26.099 27.569 41 H TRP 7 H TRP 7 16.930 25.026 25.917 42 HA TRP 7 HA TRP 7 18.494 24.046 28.126 43 HB2 TRP 7 HB2 TRP 7 16.725 22.433 28.364 44 HB3 TRP 7 HB3 TRP 7 16.025 23.989 27.999 45 HD1 TRP 7 HD1 TRP 7 14.422 24.116 25.966 46 HE1 TRP 7 HE1 TRP 7 13.602 22.495 24.165 47 HE3 TRP 7 HE3 TRP 7 17.558 20.177 26.926 48 HZ2 TRP 7 HZ2 TRP 7 14.317 19.873 23.162 49 HZ3 TRP 7 HZ3 TRP 7 17.538 18.182 25.487 50 HH2 TRP 7 HH2 TRP 7 15.909 17.999 23.601 51 H SER 8 H SER 8 18.489 23.229 24.728 52 HA SER 8 HA SER 8 19.905 20.667 25.009 53 HB2 SER 8 HB2 SER 8 18.442 21.099 23.067 54 HB3 SER 8 HB3 SER 8 19.506 22.431 22.571 55 HG SER 8 HG SER 8 19.797 20.234 21.612 56 H CYS 9 H CYS 9 20.759 24.104 24.169 57 HA CYS 9 HA CYS 9 23.566 23.795 24.086 58 HB2 CYS 9 HB2 CYS 9 21.764 26.049 25.066 59 HB3 CYS 9 HB3 CYS 9 23.501 26.168 25.031 60 H ASN 10 H ASN 10 21.398 24.264 26.949 61 HA ASN 10 HA ASN 10 23.469 24.238 28.876 62 HB2 ASN 10 HB2 ASN 10 20.839 24.717 29.000 63 HB3 ASN 10 HB3 ASN 10 20.776 23.045 29.547 64 HD21 ASN 10 HD21 ASN 10 22.015 23.944 32.761 65 HD22 ASN 10 HD22 ASN 10 21.362 22.671 31.724 66 H SER 11 H SER 11 21.525 21.407 27.681 67 HA SER 11 HA SER 11 22.887 19.449 29.222 68 HB2 SER 11 HB2 SER 11 20.761 19.011 28.131 69 HB3 SER 11 HB3 SER 11 21.488 19.240 26.532 70 HG SER 11 HG SER 11 22.205 17.210 28.405 71 H SER 12 H SER 12 23.690 20.746 25.963 72 HA SER 12 HA SER 12 25.935 19.014 25.496 73 HB2 SER 12 HB2 SER 12 25.391 21.798 24.387 74 HB3 SER 12 HB3 SER 12 26.566 20.629 23.758 75 HG SER 12 HG SER 12 24.718 19.177 23.490 76 H CYS 13 H CYS 13 25.757 22.378 26.819 77 HA CYS 13 HA CYS 13 28.579 22.644 27.233 78 HB2 CYS 13 HB2 CYS 13 26.180 23.953 28.532 79 HB3 CYS 13 HB3 CYS 13 27.827 24.398 28.935 80 H ILE 14 H ILE 14 26.036 21.339 29.436 81 HA ILE 14 HA ILE 14 27.813 20.754 31.605 82 HB ILE 14 HB ILE 14 25.128 19.675 30.745 83 HG12 ILE 14 HG12 ILE 14 26.028 21.301 33.181 84 HG13 ILE 14 HG13 ILE 14 25.417 22.020 31.696 85 HG21 ILE 14 HG21 ILE 14 24.968 18.454 32.886 86 HG22 ILE 14 HG22 ILE 14 26.244 17.784 31.897 87 HG23 ILE 14 HG23 ILE 14 26.651 18.857 33.260 88 HD11 ILE 14 HD11 ILE 14 23.265 20.785 31.999 89 HD12 ILE 14 HD12 ILE 14 23.842 20.251 33.598 90 HD13 ILE 14 HD13 ILE 14 23.625 21.972 33.271 91 H SER 15 H SER 15 26.926 18.825 28.735 92 HA SER 15 HA SER 15 28.481 16.525 29.409 93 HB2 SER 15 HB2 SER 15 26.634 16.578 27.773 94 HB3 SER 15 HB3 SER 15 27.628 17.564 26.688 95 HG SER 15 HG SER 15 27.937 14.886 27.509 96 H ARG 16 H ARG 16 29.431 19.482 27.589 97 HA ARG 16 HA ARG 16 32.201 18.762 27.140 98 HB2 ARG 16 HB2 ARG 16 30.889 21.477 27.561 99 HB3 ARG 16 HB3 ARG 16 32.513 21.236 26.947 100 HG2 ARG 16 HG2 ARG 16 29.953 20.435 25.506 101 HG3 ARG 16 HG3 ARG 16 30.933 21.855 25.234 102 HD2 ARG 16 HD2 ARG 16 31.599 20.416 23.542 103 HD3 ARG 16 HD3 ARG 16 32.886 20.227 24.757 104 HE ARG 16 HE ARG 16 30.733 18.285 25.083 105 HH11 ARG 16 HH11 ARG 16 33.504 18.893 23.004 106 HH12 ARG 16 HH12 ARG 16 33.661 17.160 22.672 107 HH21 ARG 16 HH21 ARG 16 30.943 16.210 24.380 108 HH22 ARG 16 HH22 ARG 16 32.354 15.746 23.449 109 H GLY 17 H GLY 17 30.610 19.759 30.061 110 HA2 GLY 17 HA2 GLY 17 31.758 19.271 32.170 111 HA3 GLY 17 HA3 GLY 17 33.264 19.842 31.480 112 H TYR 18 H TYR 18 30.684 21.948 30.663 113 HA TYR 18 HA TYR 18 31.439 23.917 32.745 114 HB2 TYR 18 HB2 TYR 18 29.619 24.140 30.334 115 HB3 TYR 18 HB3 TYR 18 30.107 25.460 31.376 116 HD1 TYR 18 HD1 TYR 18 31.010 23.491 28.487 117 HD2 TYR 18 HD2 TYR 18 32.593 26.056 31.555 118 HE1 TYR 18 HE1 TYR 18 32.996 23.962 27.062 119 HE2 TYR 18 HE2 TYR 18 34.555 26.572 30.115 120 HH TYR 18 HH TYR 18 34.987 25.098 26.883 121 H ARG 19 H ARG 19 29.350 25.287 33.500 122 HA ARG 19 HA ARG 19 27.494 23.283 34.768 123 HB2 ARG 19 HB2 ARG 19 28.206 26.116 35.576 124 HB3 ARG 19 HB3 ARG 19 27.196 25.009 36.501 125 HG2 ARG 19 HG2 ARG 19 30.152 24.551 35.870 126 HG3 ARG 19 HG3 ARG 19 29.533 25.221 37.367 127 HD2 ARG 19 HD2 ARG 19 28.334 23.120 37.860 128 HD3 ARG 19 HD3 ARG 19 28.814 22.457 36.296 129 HE ARG 19 HE ARG 19 30.856 21.894 37.107 130 HH11 ARG 19 HH11 ARG 19 29.475 24.158 39.457 131 HH12 ARG 19 HH12 ARG 19 30.725 23.737 40.632 132 HH21 ARG 19 HH21 ARG 19 32.477 21.614 38.696 133 HH22 ARG 19 HH22 ARG 19 32.248 22.432 40.239 134 H GLN 20 H GLN 20 27.405 26.047 32.670 135 HA GLN 20 HA GLN 20 24.502 25.655 32.220 136 HB2 GLN 20 HB2 GLN 20 25.815 28.062 33.403 137 HB3 GLN 20 HB3 GLN 20 24.699 28.416 32.105 138 HG2 GLN 20 HG2 GLN 20 23.881 26.570 34.370 139 HG3 GLN 20 HG3 GLN 20 23.913 28.305 34.612 140 HE21 GLN 20 HE21 GLN 20 20.441 27.375 33.594 141 HE22 GLN 20 HE22 GLN 20 21.511 26.828 34.877 142 H GLY 21 H GLY 21 23.753 26.572 30.221 143 HA2 GLY 21 HA2 GLY 21 25.750 27.557 28.262 144 HA3 GLY 21 HA3 GLY 21 24.896 26.062 27.877 145 H LYS 22 H LYS 22 24.880 29.198 27.118 146 HA LYS 22 HA LYS 22 22.015 29.299 26.373 147 HB2 LYS 22 HB2 LYS 22 23.317 31.423 28.132 148 HB3 LYS 22 HB3 LYS 22 21.762 31.607 27.329 149 HG2 LYS 22 HG2 LYS 22 22.355 29.530 29.475 150 HG3 LYS 22 HG3 LYS 22 21.575 31.074 29.740 151 HD2 LYS 22 HD2 LYS 22 19.655 30.501 28.447 152 HD3 LYS 22 HD3 LYS 22 20.403 29.055 27.781 153 HE2 LYS 22 HE2 LYS 22 19.714 29.414 30.731 154 HE3 LYS 22 HE3 LYS 22 18.699 28.609 29.537 155 HZ1 LYS 22 HZ1 LYS 22 20.986 27.304 29.158 156 HZ2 LYS 22 HZ2 LYS 22 21.141 27.629 30.760 157 HZ3 LYS 22 HZ3 LYS 22 19.830 26.801 30.207 158 H CYS 23 H CYS 23 21.500 31.097 24.919 159 HA CYS 23 HA CYS 23 23.797 31.931 23.202 160 HB2 CYS 23 HB2 CYS 23 23.193 29.740 22.456 161 HB3 CYS 23 HB3 CYS 23 21.476 30.114 22.519 162 H TRP 24 H TRP 24 23.416 33.541 21.708 163 HA TRP 24 HA TRP 24 20.822 35.057 21.830 164 HB2 TRP 24 HB2 TRP 24 23.636 36.109 21.389 165 HB3 TRP 24 HB3 TRP 24 22.164 37.056 21.251 166 HD1 TRP 24 HD1 TRP 24 24.765 36.177 23.659 167 HE1 TRP 24 HE1 TRP 24 24.151 36.841 26.045 168 HE3 TRP 24 HE3 TRP 24 19.763 37.139 22.973 169 HZ2 TRP 24 HZ2 TRP 24 21.813 37.787 27.461 170 HZ3 TRP 24 HZ3 TRP 24 18.377 37.923 24.863 171 HH2 TRP 24 HH2 TRP 24 19.385 38.254 27.118 172 H GLY 25 H GLY 25 23.263 33.623 19.720 173 HA2 GLY 25 HA2 GLY 25 23.157 33.033 17.516 174 HA3 GLY 25 HA3 GLY 25 21.432 33.386 17.555 175 H ILE 26 H ILE 26 24.056 35.817 18.036 176 HA ILE 26 HA ILE 26 22.727 37.660 16.299 177 HB ILE 26 HB ILE 26 24.466 39.191 16.739 178 HG12 ILE 26 HG12 ILE 26 26.197 36.924 17.810 179 HG13 ILE 26 HG13 ILE 26 26.434 37.771 16.285 180 HG21 ILE 26 HG21 ILE 26 22.881 38.554 18.594 181 HG22 ILE 26 HG22 ILE 26 24.190 37.556 19.285 182 HG23 ILE 26 HG23 ILE 26 24.387 39.311 19.119 183 HD11 ILE 26 HD11 ILE 26 27.981 38.659 17.881 184 HD12 ILE 26 HD12 ILE 26 26.771 39.907 17.524 185 HD13 ILE 26 HD13 ILE 26 26.692 38.990 19.047 186 H GLN 27 H GLN 27 24.933 35.192 15.429 187 HA GLN 27 HA GLN 27 24.804 36.103 12.615 188 HB2 GLN 27 HB2 GLN 27 26.925 37.007 13.368 189 HB3 GLN 27 HB3 GLN 27 27.365 35.502 14.147 190 HG2 GLN 27 HG2 GLN 27 28.613 35.885 12.049 191 HG3 GLN 27 HG3 GLN 27 27.698 34.388 12.025 192 HE21 GLN 27 HE21 GLN 27 26.926 35.578 8.728 193 HE22 GLN 27 HE22 GLN 27 28.044 34.541 9.609 194 H TYR 28 H TYR 28 25.419 33.440 14.899 195 HA TYR 28 HA TYR 28 24.265 31.507 13.044 196 HB2 TYR 28 HB2 TYR 28 26.169 30.091 12.832 197 HB3 TYR 28 HB3 TYR 28 26.646 31.673 12.269 198 HD1 TYR 28 HD1 TYR 28 27.645 28.916 14.213 199 HD2 TYR 28 HD2 TYR 28 27.842 33.223 14.156 200 HE1 TYR 28 HE1 TYR 28 29.600 28.863 15.754 201 HE2 TYR 28 HE2 TYR 28 29.763 33.160 15.724 202 HH TYR 28 HH TYR 28 30.656 31.578 17.471 203 H LYS 29 H LYS 29 23.979 29.378 14.036 204 HA LYS 29 HA LYS 29 23.203 29.284 16.725 205 HB2 LYS 29 HB2 LYS 29 23.114 26.881 16.517 206 HB3 LYS 29 HB3 LYS 29 22.451 27.680 15.094 207 HG2 LYS 29 HG2 LYS 29 24.594 27.222 13.864 208 HG3 LYS 29 HG3 LYS 29 25.190 26.353 15.287 209 HD2 LYS 29 HD2 LYS 29 23.342 24.755 15.140 210 HD3 LYS 29 HD3 LYS 29 22.784 25.561 13.647 211 HE2 LYS 29 HE2 LYS 29 25.002 25.182 12.613 212 HE3 LYS 29 HE3 LYS 29 25.593 24.437 14.104 213 HZ1 LYS 29 HZ1 LYS 29 24.040 22.627 13.777 214 HZ2 LYS 29 HZ2 LYS 29 23.394 23.329 12.450 215 HZ3 LYS 29 HZ3 LYS 29 24.955 22.836 12.398 216 H TYR 30 H TYR 30 24.358 29.653 18.499 217 HA TYR 30 HA TYR 30 27.049 28.459 18.842 218 HB2 TYR 30 HB2 TYR 30 27.287 30.582 17.573 219 HB3 TYR 30 HB3 TYR 30 26.469 31.444 18.862 220 HD1 TYR 30 HD1 TYR 30 29.190 28.803 19.035 221 HD2 TYR 30 HD2 TYR 30 28.108 32.947 19.631 222 HE1 TYR 30 HE1 TYR 30 31.438 29.261 19.968 223 HE2 TYR 30 HE2 TYR 30 30.367 33.394 20.552 224 HH TYR 30 HH TYR 30 32.504 32.560 20.798 225 H CYS 31 H CYS 31 26.455 27.265 20.571 226 HA CYS 31 HA CYS 31 25.055 28.360 22.905 227 HB2 CYS 31 HB2 CYS 31 26.576 25.768 22.470 228 HB3 CYS 31 HB3 CYS 31 25.582 26.137 23.864 229 H GLN 32 H GLN 32 26.128 29.807 24.175 230 HA GLN 32 HA GLN 32 29.068 29.604 24.567 231 HB2 GLN 32 HB2 GLN 32 27.025 31.658 25.457 232 HB3 GLN 32 HB3 GLN 32 28.754 31.756 25.786 233 HG2 GLN 32 HG2 GLN 32 29.303 32.153 23.528 234 HG3 GLN 32 HG3 GLN 32 27.773 31.522 22.917 235 HE21 GLN 32 HE21 GLN 32 27.788 35.353 24.453 236 HE22 GLN 32 HE22 GLN 32 28.964 34.220 25.056 237 H CYS 33 H CYS 33 29.910 28.638 26.310 238 HA CYS 33 HA CYS 33 28.063 27.561 28.353 239 HB2 CYS 33 HB2 CYS 33 30.860 26.674 27.632 240 HB3 CYS 33 HB3 CYS 33 29.708 25.865 28.677 241 H TYR 34 H TYR 34 28.486 27.623 30.483 242 HA TYR 34 HA TYR 34 30.367 29.733 31.462 243 HB2 TYR 34 HB2 TYR 34 27.697 28.812 32.509 244 HB3 TYR 34 HB3 TYR 34 28.768 29.913 33.366 245 HD1 TYR 34 HD1 TYR 34 29.306 32.142 32.487 246 HD2 TYR 34 HD2 TYR 34 26.560 29.549 30.417 247 HE1 TYR 34 HE1 TYR 34 28.619 34.040 31.008 248 HE2 TYR 34 HE2 TYR 34 25.893 31.432 28.931 249 HH TYR 34 HH TYR 34 26.322 33.590 28.310 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 17.694 25.362 9.240 2 H2 GLY 1 H2 GLY 1 18.624 24.637 8.078 3 H3 GLY 1 H3 GLY 1 19.325 25.290 9.420 4 HA2 GLY 1 HA2 GLY 1 17.486 22.985 9.415 5 HA3 GLY 1 HA3 GLY 1 19.253 22.889 9.590 6 H MET 2 H MET 2 18.967 21.906 11.708 7 HA MET 2 HA MET 2 17.304 22.951 13.739 8 HB2 MET 2 HB2 MET 2 18.237 20.664 13.686 9 HB3 MET 2 HB3 MET 2 19.851 21.304 14.011 10 HG2 MET 2 HG2 MET 2 18.904 20.453 16.063 11 HG3 MET 2 HG3 MET 2 19.045 22.202 16.190 12 HE1 MET 2 HE1 MET 2 17.455 22.382 18.251 13 HE2 MET 2 HE2 MET 2 15.872 21.582 18.363 14 HE3 MET 2 HE3 MET 2 17.355 20.607 18.282 15 H ALA 3 H ALA 3 17.387 24.983 14.521 16 HA ALA 3 HA ALA 3 19.939 26.385 14.967 17 HB1 ALA 3 HB1 ALA 3 17.979 27.496 13.924 18 HB2 ALA 3 HB2 ALA 3 17.058 27.257 15.427 19 HB3 ALA 3 HB3 ALA 3 18.496 28.300 15.411 20 H CYS 4 H CYS 4 19.975 27.759 17.095 21 HA CYS 4 HA CYS 4 20.478 26.209 19.351 22 HB2 CYS 4 HB2 CYS 4 19.689 29.102 18.969 23 HB3 CYS 4 HB3 CYS 4 19.970 28.442 20.577 24 H GLN 5 H GLN 5 19.432 25.541 21.137 25 HA GLN 5 HA GLN 5 16.669 26.414 21.664 26 HB2 GLN 5 HB2 GLN 5 16.467 24.261 20.499 27 HB3 GLN 5 HB3 GLN 5 17.617 23.532 21.621 28 HG2 GLN 5 HG2 GLN 5 15.465 22.805 22.256 29 HG3 GLN 5 HG3 GLN 5 15.967 23.932 23.502 30 HE21 GLN 5 HE21 GLN 5 12.421 24.484 21.841 31 HE22 GLN 5 HE22 GLN 5 13.266 22.972 22.136 32 H PHE 6 H PHE 6 16.280 26.882 23.730 33 HA PHE 6 HA PHE 6 18.310 27.701 25.320 34 HB2 PHE 6 HB2 PHE 6 16.667 28.042 27.070 35 HB3 PHE 6 HB3 PHE 6 16.043 28.504 25.500 36 HD1 PHE 6 HD1 PHE 6 15.670 26.217 28.362 37 HD2 PHE 6 HD2 PHE 6 14.182 27.253 24.452 38 HE1 PHE 6 HE1 PHE 6 13.632 24.867 28.771 39 HE2 PHE 6 HE2 PHE 6 12.165 25.869 24.854 40 HZ PHE 6 HZ PHE 6 11.881 24.679 27.017 41 H TRP 7 H TRP 7 16.581 24.618 25.989 42 HA TRP 7 HA TRP 7 18.400 23.955 28.159 43 HB2 TRP 7 HB2 TRP 7 17.110 21.934 28.323 44 HB3 TRP 7 HB3 TRP 7 16.006 23.284 28.093 45 HD1 TRP 7 HD1 TRP 7 14.431 23.183 25.996 46 HE1 TRP 7 HE1 TRP 7 14.027 21.485 24.084 47 HE3 TRP 7 HE3 TRP 7 18.315 19.972 26.912 48 HZ2 TRP 7 HZ2 TRP 7 15.356 19.193 22.982 49 HZ3 TRP 7 HZ3 TRP 7 18.744 18.058 25.395 50 HH2 TRP 7 HH2 TRP 7 17.287 17.669 23.416 51 H SER 8 H SER 8 18.399 23.328 24.669 52 HA SER 8 HA SER 8 20.044 20.948 24.797 53 HB2 SER 8 HB2 SER 8 18.604 21.429 22.851 54 HB3 SER 8 HB3 SER 8 19.632 22.829 22.449 55 HG SER 8 HG SER 8 20.314 21.020 21.282 56 H CYS 9 H CYS 9 20.803 24.443 24.248 57 HA CYS 9 HA CYS 9 23.631 24.168 24.055 58 HB2 CYS 9 HB2 CYS 9 21.806 26.331 25.192 59 HB3 CYS 9 HB3 CYS 9 23.551 26.491 25.111 60 H ASN 10 H ASN 10 21.564 24.690 26.957 61 HA ASN 10 HA ASN 10 23.543 24.624 28.917 62 HB2 ASN 10 HB2 ASN 10 21.114 25.304 29.074 63 HB3 ASN 10 HB3 ASN 10 20.668 23.604 29.091 64 HD21 ASN 10 HD21 ASN 10 21.264 23.289 32.519 65 HD22 ASN 10 HD22 ASN 10 20.753 22.501 31.024 66 H SER 11 H SER 11 21.620 21.799 27.765 67 HA SER 11 HA SER 11 22.928 19.811 29.294 68 HB2 SER 11 HB2 SER 11 20.761 19.641 28.055 69 HB3 SER 11 HB3 SER 11 21.665 19.494 26.544 70 HG SER 11 HG SER 11 20.996 17.496 27.754 71 H SER 12 H SER 12 23.759 21.081 26.055 72 HA SER 12 HA SER 12 25.874 19.219 25.460 73 HB2 SER 12 HB2 SER 12 25.649 22.114 24.532 74 HB3 SER 12 HB3 SER 12 26.569 20.804 23.772 75 HG SER 12 HG SER 12 23.745 21.081 24.021 76 H CYS 13 H CYS 13 25.901 22.467 26.999 77 HA CYS 13 HA CYS 13 28.700 22.591 27.509 78 HB2 CYS 13 HB2 CYS 13 26.326 23.834 28.943 79 HB3 CYS 13 HB3 CYS 13 27.988 24.357 29.128 80 H ILE 14 H ILE 14 26.037 21.284 29.551 81 HA ILE 14 HA ILE 14 27.616 20.481 31.796 82 HB ILE 14 HB ILE 14 24.965 19.596 30.634 83 HG12 ILE 14 HG12 ILE 14 25.605 21.049 33.236 84 HG13 ILE 14 HG13 ILE 14 25.312 21.888 31.727 85 HG21 ILE 14 HG21 ILE 14 24.489 18.336 32.713 86 HG22 ILE 14 HG22 ILE 14 25.771 17.594 31.782 87 HG23 ILE 14 HG23 ILE 14 26.170 18.552 33.228 88 HD11 ILE 14 HD11 ILE 14 23.044 20.810 31.587 89 HD12 ILE 14 HD12 ILE 14 23.307 20.170 33.228 90 HD13 ILE 14 HD13 ILE 14 23.275 21.915 32.952 91 H SER 15 H SER 15 27.114 18.880 28.674 92 HA SER 15 HA SER 15 28.423 16.391 29.396 93 HB2 SER 15 HB2 SER 15 26.839 16.390 27.630 94 HB3 SER 15 HB3 SER 15 27.665 17.683 26.759 95 HG SER 15 HG SER 15 27.955 15.404 26.091 96 H ARG 16 H ARG 16 29.563 19.337 27.655 97 HA ARG 16 HA ARG 16 32.235 18.240 27.254 98 HB2 ARG 16 HB2 ARG 16 31.148 21.052 26.851 99 HB3 ARG 16 HB3 ARG 16 32.706 20.455 26.277 100 HG2 ARG 16 HG2 ARG 16 29.964 19.496 25.346 101 HG3 ARG 16 HG3 ARG 16 31.112 20.502 24.501 102 HD2 ARG 16 HD2 ARG 16 31.457 18.439 23.497 103 HD3 ARG 16 HD3 ARG 16 32.747 18.472 24.708 104 HE ARG 16 HE ARG 16 30.260 17.228 25.642 105 HH11 ARG 16 HH11 ARG 16 33.233 16.480 23.891 106 HH12 ARG 16 HH12 ARG 16 33.142 14.794 24.369 107 HH21 ARG 16 HH21 ARG 16 30.157 15.098 26.012 108 HH22 ARG 16 HH22 ARG 16 31.254 14.007 25.192 109 H GLY 17 H GLY 17 30.982 20.345 29.784 110 HA2 GLY 17 HA2 GLY 17 32.615 19.667 31.774 111 HA3 GLY 17 HA3 GLY 17 33.774 20.613 30.859 112 H TYR 18 H TYR 18 30.430 21.697 31.123 113 HA TYR 18 HA TYR 18 31.282 23.922 32.941 114 HB2 TYR 18 HB2 TYR 18 29.340 23.923 30.640 115 HB3 TYR 18 HB3 TYR 18 29.740 25.311 31.634 116 HD1 TYR 18 HD1 TYR 18 30.909 23.079 28.946 117 HD2 TYR 18 HD2 TYR 18 31.956 26.408 31.486 118 HE1 TYR 18 HE1 TYR 18 32.875 23.537 27.522 119 HE2 TYR 18 HE2 TYR 18 33.911 26.896 30.031 120 HH TYR 18 HH TYR 18 34.994 24.676 27.571 121 H ARG 19 H ARG 19 29.160 25.139 33.744 122 HA ARG 19 HA ARG 19 27.438 23.109 35.135 123 HB2 ARG 19 HB2 ARG 19 27.914 26.061 35.678 124 HB3 ARG 19 HB3 ARG 19 26.778 25.025 36.555 125 HG2 ARG 19 HG2 ARG 19 28.682 23.524 37.193 126 HG3 ARG 19 HG3 ARG 19 29.809 24.663 36.422 127 HD2 ARG 19 HD2 ARG 19 29.035 26.458 37.937 128 HD3 ARG 19 HD3 ARG 19 27.875 25.339 38.671 129 HE ARG 19 HE ARG 19 30.572 24.291 38.804 130 HH11 ARG 19 HH11 ARG 19 28.370 26.489 40.489 131 HH12 ARG 19 HH12 ARG 19 29.275 26.334 41.970 132 HH21 ARG 19 HH21 ARG 19 31.608 24.151 40.656 133 HH22 ARG 19 HH22 ARG 19 31.061 25.062 42.069 134 H GLN 20 H GLN 20 27.224 25.929 32.972 135 HA GLN 20 HA GLN 20 24.507 25.092 32.144 136 HB2 GLN 20 HB2 GLN 20 25.218 27.817 33.301 137 HB3 GLN 20 HB3 GLN 20 23.732 27.490 32.410 138 HG2 GLN 20 HG2 GLN 20 23.133 25.745 34.104 139 HG3 GLN 20 HG3 GLN 20 24.510 26.273 35.083 140 HE21 GLN 20 HE21 GLN 20 21.359 28.057 36.146 141 HE22 GLN 20 HE22 GLN 20 21.642 26.346 35.815 142 H GLY 21 H GLY 21 23.715 26.688 30.359 143 HA2 GLY 21 HA2 GLY 21 25.579 28.298 28.965 144 HA3 GLY 21 HA3 GLY 21 25.450 26.766 28.106 145 H LYS 22 H LYS 22 24.813 29.115 26.922 146 HA LYS 22 HA LYS 22 21.896 29.035 26.358 147 HB2 LYS 22 HB2 LYS 22 22.950 30.763 28.318 148 HB3 LYS 22 HB3 LYS 22 23.004 31.745 26.884 149 HG2 LYS 22 HG2 LYS 22 20.969 32.257 27.854 150 HG3 LYS 22 HG3 LYS 22 20.494 31.167 26.560 151 HD2 LYS 22 HD2 LYS 22 20.994 30.198 29.406 152 HD3 LYS 22 HD3 LYS 22 19.455 30.934 28.933 153 HE2 LYS 22 HE2 LYS 22 19.280 29.127 27.128 154 HE3 LYS 22 HE3 LYS 22 20.647 28.335 27.913 155 HZ1 LYS 22 HZ1 LYS 22 17.970 28.850 29.031 156 HZ2 LYS 22 HZ2 LYS 22 18.758 27.393 28.942 157 HZ3 LYS 22 HZ3 LYS 22 19.227 28.542 30.019 158 H CYS 23 H CYS 23 21.360 30.806 24.649 159 HA CYS 23 HA CYS 23 23.631 31.370 22.807 160 HB2 CYS 23 HB2 CYS 23 22.768 29.276 22.141 161 HB3 CYS 23 HB3 CYS 23 21.109 29.816 22.224 162 H TRP 24 H TRP 24 23.569 33.239 21.759 163 HA TRP 24 HA TRP 24 21.246 35.099 22.043 164 HB2 TRP 24 HB2 TRP 24 24.097 35.475 21.063 165 HB3 TRP 24 HB3 TRP 24 22.849 36.719 21.039 166 HD1 TRP 24 HD1 TRP 24 25.548 35.450 23.183 167 HE1 TRP 24 HE1 TRP 24 25.481 36.558 25.488 168 HE3 TRP 24 HE3 TRP 24 20.851 37.482 22.950 169 HZ2 TRP 24 HZ2 TRP 24 23.698 38.306 26.947 170 HZ3 TRP 24 HZ3 TRP 24 20.021 38.941 24.785 171 HH2 TRP 24 HH2 TRP 24 21.434 39.380 26.769 172 H GLY 25 H GLY 25 23.028 33.226 19.629 173 HA2 GLY 25 HA2 GLY 25 22.149 34.553 17.269 174 HA3 GLY 25 HA3 GLY 25 22.672 32.881 17.372 175 H ILE 26 H ILE 26 20.766 33.852 15.638 176 HA ILE 26 HA ILE 26 18.185 32.561 16.495 177 HB ILE 26 HB ILE 26 18.767 34.934 14.705 178 HG12 ILE 26 HG12 ILE 26 16.840 34.520 17.040 179 HG13 ILE 26 HG13 ILE 26 18.444 35.239 17.174 180 HG21 ILE 26 HG21 ILE 26 17.203 33.564 13.398 181 HG22 ILE 26 HG22 ILE 26 16.156 33.382 14.824 182 HG23 ILE 26 HG23 ILE 26 16.372 34.959 14.047 183 HD11 ILE 26 HD11 ILE 26 16.843 37.018 17.149 184 HD12 ILE 26 HD12 ILE 26 17.735 37.068 15.610 185 HD13 ILE 26 HD13 ILE 26 16.078 36.423 15.679 186 H GLN 27 H GLN 27 20.527 32.945 13.798 187 HA GLN 27 HA GLN 27 18.991 31.237 12.027 188 HB2 GLN 27 HB2 GLN 27 21.870 32.128 11.704 189 HB3 GLN 27 HB3 GLN 27 20.764 31.625 10.447 190 HG2 GLN 27 HG2 GLN 27 20.755 34.225 12.023 191 HG3 GLN 27 HG3 GLN 27 21.087 33.995 10.324 192 HE21 GLN 27 HE21 GLN 27 17.331 33.417 9.912 193 HE22 GLN 27 HE22 GLN 27 18.685 32.317 9.683 194 H TYR 28 H TYR 28 21.554 30.531 14.282 195 HA TYR 28 HA TYR 28 21.870 27.744 13.233 196 HB2 TYR 28 HB2 TYR 28 23.535 29.211 12.175 197 HB3 TYR 28 HB3 TYR 28 24.093 29.758 13.742 198 HD1 TYR 28 HD1 TYR 28 23.670 26.598 11.709 199 HD2 TYR 28 HD2 TYR 28 25.942 28.698 14.712 200 HE1 TYR 28 HE1 TYR 28 25.277 24.699 11.824 201 HE2 TYR 28 HE2 TYR 28 27.532 26.775 14.850 202 HH TYR 28 HH TYR 28 27.309 23.951 12.702 203 H LYS 29 H LYS 29 23.668 26.670 14.806 204 HA LYS 29 HA LYS 29 22.380 26.628 17.490 205 HB2 LYS 29 HB2 LYS 29 22.867 24.277 17.528 206 HB3 LYS 29 HB3 LYS 29 22.040 24.698 16.044 207 HG2 LYS 29 HG2 LYS 29 24.281 24.759 14.864 208 HG3 LYS 29 HG3 LYS 29 25.033 24.185 16.368 209 HD2 LYS 29 HD2 LYS 29 23.522 22.169 16.248 210 HD3 LYS 29 HD3 LYS 29 22.957 22.748 14.665 211 HE2 LYS 29 HE2 LYS 29 25.403 22.787 13.919 212 HE3 LYS 29 HE3 LYS 29 25.823 22.036 15.466 213 HZ1 LYS 29 HZ1 LYS 29 25.605 20.280 13.942 214 HZ2 LYS 29 HZ2 LYS 29 24.179 20.239 14.782 215 HZ3 LYS 29 HZ3 LYS 29 24.233 20.882 13.269 216 H TYR 30 H TYR 30 24.709 28.359 16.897 217 HA TYR 30 HA TYR 30 26.959 27.200 18.411 218 HB2 TYR 30 HB2 TYR 30 27.327 28.740 16.495 219 HB3 TYR 30 HB3 TYR 30 26.577 30.043 17.403 220 HD1 TYR 30 HD1 TYR 30 27.731 30.941 19.494 221 HD2 TYR 30 HD2 TYR 30 29.563 27.986 16.921 222 HE1 TYR 30 HE1 TYR 30 29.938 31.388 20.536 223 HE2 TYR 30 HE2 TYR 30 31.762 28.437 17.974 224 HH TYR 30 HH TYR 30 32.132 30.846 20.604 225 H CYS 31 H CYS 31 27.058 27.167 20.524 226 HA CYS 31 HA CYS 31 25.348 28.967 22.199 227 HB2 CYS 31 HB2 CYS 31 26.502 26.232 22.821 228 HB3 CYS 31 HB3 CYS 31 25.391 27.142 23.830 229 H GLN 32 H GLN 32 26.147 29.658 24.208 230 HA GLN 32 HA GLN 32 29.112 29.684 24.628 231 HB2 GLN 32 HB2 GLN 32 26.926 31.555 25.639 232 HB3 GLN 32 HB3 GLN 32 28.577 31.525 26.242 233 HG2 GLN 32 HG2 GLN 32 28.487 33.318 24.731 234 HG3 GLN 32 HG3 GLN 32 29.448 32.054 23.977 235 HE21 GLN 32 HE21 GLN 32 25.751 32.578 22.248 236 HE22 GLN 32 HE22 GLN 32 25.800 32.583 24.032 237 H CYS 33 H CYS 33 29.903 28.949 26.595 238 HA CYS 33 HA CYS 33 28.004 27.522 28.415 239 HB2 CYS 33 HB2 CYS 33 30.737 26.590 27.480 240 HB3 CYS 33 HB3 CYS 33 29.678 25.777 28.615 241 H TYR 34 H TYR 34 28.344 27.661 30.539 242 HA TYR 34 HA TYR 34 30.826 28.894 31.652 243 HB2 TYR 34 HB2 TYR 34 28.010 29.731 32.405 244 HB3 TYR 34 HB3 TYR 34 29.522 30.402 32.996 245 HD1 TYR 34 HD1 TYR 34 30.874 31.929 31.580 246 HD2 TYR 34 HD2 TYR 34 27.143 30.272 30.195 247 HE1 TYR 34 HE1 TYR 34 30.811 33.602 29.741 248 HE2 TYR 34 HE2 TYR 34 27.094 31.914 28.341 249 HH TYR 34 HH TYR 34 29.755 34.295 27.873 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 15.221 19.099 11.662 2 H2 GLY 1 H2 GLY 1 14.382 20.519 11.629 3 H3 GLY 1 H3 GLY 1 14.121 19.428 12.836 4 HA2 GLY 1 HA2 GLY 1 16.312 19.732 13.705 5 HA3 GLY 1 HA3 GLY 1 16.646 20.836 12.362 6 H MET 2 H MET 2 17.185 22.094 14.495 7 HA MET 2 HA MET 2 15.086 24.104 14.783 8 HB2 MET 2 HB2 MET 2 15.023 24.114 17.181 9 HB3 MET 2 HB3 MET 2 14.577 22.503 16.629 10 HG2 MET 2 HG2 MET 2 16.742 21.614 17.258 11 HG3 MET 2 HG3 MET 2 17.357 23.221 17.618 12 HE1 MET 2 HE1 MET 2 13.928 21.350 18.588 13 HE2 MET 2 HE2 MET 2 15.265 20.194 18.775 14 HE3 MET 2 HE3 MET 2 14.399 20.790 20.207 15 H ALA 3 H ALA 3 15.882 26.078 15.802 16 HA ALA 3 HA ALA 3 18.700 26.692 15.290 17 HB1 ALA 3 HB1 ALA 3 16.454 28.284 16.615 18 HB2 ALA 3 HB2 ALA 3 18.043 28.929 16.157 19 HB3 ALA 3 HB3 ALA 3 16.936 28.355 14.908 20 H CYS 4 H CYS 4 19.813 28.031 17.266 21 HA CYS 4 HA CYS 4 20.476 26.116 19.273 22 HB2 CYS 4 HB2 CYS 4 21.840 27.772 20.218 23 HB3 CYS 4 HB3 CYS 4 21.877 28.022 18.482 24 H GLN 5 H GLN 5 19.692 25.708 21.322 25 HA GLN 5 HA GLN 5 17.291 27.238 22.206 26 HB2 GLN 5 HB2 GLN 5 16.637 25.328 20.790 27 HB3 GLN 5 HB3 GLN 5 17.583 24.240 21.795 28 HG2 GLN 5 HG2 GLN 5 15.293 23.922 22.321 29 HG3 GLN 5 HG3 GLN 5 16.033 24.699 23.714 30 HE21 GLN 5 HE21 GLN 5 12.714 26.354 22.608 31 HE22 GLN 5 HE22 GLN 5 13.107 24.639 22.627 32 H PHE 6 H PHE 6 17.113 27.654 24.270 33 HA PHE 6 HA PHE 6 19.164 27.766 25.935 34 HB2 PHE 6 HB2 PHE 6 17.613 28.229 27.750 35 HB3 PHE 6 HB3 PHE 6 17.059 28.953 26.272 36 HD1 PHE 6 HD1 PHE 6 16.278 26.635 28.974 37 HD2 PHE 6 HD2 PHE 6 15.091 27.930 25.034 38 HE1 PHE 6 HE1 PHE 6 14.084 25.516 29.258 39 HE2 PHE 6 HE2 PHE 6 12.921 26.769 25.307 40 HZ PHE 6 HZ PHE 6 12.400 25.580 27.430 41 H TRP 7 H TRP 7 16.829 25.045 26.376 42 HA TRP 7 HA TRP 7 18.400 23.864 28.482 43 HB2 TRP 7 HB2 TRP 7 16.770 22.099 28.399 44 HB3 TRP 7 HB3 TRP 7 15.942 23.632 28.245 45 HD1 TRP 7 HD1 TRP 7 14.470 23.974 26.088 46 HE1 TRP 7 HE1 TRP 7 13.859 22.523 24.049 47 HE3 TRP 7 HE3 TRP 7 17.688 20.088 26.891 48 HZ2 TRP 7 HZ2 TRP 7 14.877 20.120 22.773 49 HZ3 TRP 7 HZ3 TRP 7 17.874 18.244 25.247 50 HH2 TRP 7 HH2 TRP 7 16.504 18.257 23.194 51 H SER 8 H SER 8 18.315 23.345 24.969 52 HA SER 8 HA SER 8 19.818 20.866 24.982 53 HB2 SER 8 HB2 SER 8 18.269 21.561 23.164 54 HB3 SER 8 HB3 SER 8 19.409 22.846 22.711 55 HG SER 8 HG SER 8 19.396 20.316 21.978 56 H CYS 9 H CYS 9 20.708 24.319 24.473 57 HA CYS 9 HA CYS 9 23.522 23.959 24.241 58 HB2 CYS 9 HB2 CYS 9 21.768 26.186 25.362 59 HB3 CYS 9 HB3 CYS 9 23.511 26.307 25.216 60 H ASN 10 H ASN 10 21.412 24.286 27.158 61 HA ASN 10 HA ASN 10 23.502 24.230 29.061 62 HB2 ASN 10 HB2 ASN 10 20.861 24.652 29.234 63 HB3 ASN 10 HB3 ASN 10 20.834 22.956 29.698 64 HD21 ASN 10 HD21 ASN 10 22.063 23.736 32.923 65 HD22 ASN 10 HD22 ASN 10 21.346 22.517 31.861 66 H SER 11 H SER 11 21.601 21.454 27.759 67 HA SER 11 HA SER 11 22.962 19.366 29.121 68 HB2 SER 11 HB2 SER 11 20.897 18.974 27.934 69 HB3 SER 11 HB3 SER 11 21.621 19.450 26.389 70 HG SER 11 HG SER 11 21.415 17.099 26.994 71 H SER 12 H SER 12 23.699 20.831 25.919 72 HA SER 12 HA SER 12 25.889 19.102 25.340 73 HB2 SER 12 HB2 SER 12 24.655 20.393 23.637 74 HB3 SER 12 HB3 SER 12 25.311 21.904 24.296 75 HG SER 12 HG SER 12 26.789 19.716 23.233 76 H CYS 13 H CYS 13 25.835 22.344 26.828 77 HA CYS 13 HA CYS 13 28.684 22.599 27.161 78 HB2 CYS 13 HB2 CYS 13 26.287 23.871 28.503 79 HB3 CYS 13 HB3 CYS 13 27.939 24.304 28.923 80 H ILE 14 H ILE 14 26.154 21.218 29.343 81 HA ILE 14 HA ILE 14 27.980 20.566 31.467 82 HB ILE 14 HB ILE 14 25.262 19.519 30.656 83 HG12 ILE 14 HG12 ILE 14 26.155 21.023 33.160 84 HG13 ILE 14 HG13 ILE 14 25.652 21.855 31.695 85 HG21 ILE 14 HG21 ILE 14 26.367 17.596 31.717 86 HG22 ILE 14 HG22 ILE 14 26.924 18.625 33.055 87 HG23 ILE 14 HG23 ILE 14 25.202 18.281 32.839 88 HD11 ILE 14 HD11 ILE 14 23.796 21.774 33.223 89 HD12 ILE 14 HD12 ILE 14 23.423 20.755 31.817 90 HD13 ILE 14 HD13 ILE 14 23.896 20.016 33.366 91 H SER 15 H SER 15 27.055 18.705 28.499 92 HA SER 15 HA SER 15 28.767 16.485 29.092 93 HB2 SER 15 HB2 SER 15 27.790 17.588 26.445 94 HB3 SER 15 HB3 SER 15 28.812 16.146 26.589 95 HG SER 15 HG SER 15 26.167 16.353 26.942 96 H ARG 16 H ARG 16 29.651 19.664 27.568 97 HA ARG 16 HA ARG 16 32.438 18.913 27.193 98 HB2 ARG 16 HB2 ARG 16 31.327 21.690 27.710 99 HB3 ARG 16 HB3 ARG 16 32.860 21.275 26.958 100 HG2 ARG 16 HG2 ARG 16 30.077 21.155 25.798 101 HG3 ARG 16 HG3 ARG 16 31.459 22.052 25.283 102 HD2 ARG 16 HD2 ARG 16 31.617 20.483 23.689 103 HD3 ARG 16 HD3 ARG 16 32.470 19.555 24.929 104 HE ARG 16 HE ARG 16 29.514 19.271 24.803 105 HH11 ARG 16 HH11 ARG 16 32.566 17.820 23.761 106 HH12 ARG 16 HH12 ARG 16 31.795 16.317 23.353 107 HH21 ARG 16 HH21 ARG 16 28.608 17.439 23.929 108 HH22 ARG 16 HH22 ARG 16 29.614 16.141 23.386 109 H GLY 17 H GLY 17 30.625 19.925 29.979 110 HA2 GLY 17 HA2 GLY 17 31.562 19.082 32.114 111 HA3 GLY 17 HA3 GLY 17 33.081 19.874 31.701 112 H TYR 18 H TYR 18 30.844 22.071 30.687 113 HA TYR 18 HA TYR 18 31.432 23.912 32.842 114 HB2 TYR 18 HB2 TYR 18 29.741 24.096 30.338 115 HB3 TYR 18 HB3 TYR 18 29.901 25.414 31.475 116 HD1 TYR 18 HD1 TYR 18 31.808 26.863 31.495 117 HD2 TYR 18 HD2 TYR 18 31.810 23.307 29.070 118 HE1 TYR 18 HE1 TYR 18 33.800 27.696 30.276 119 HE2 TYR 18 HE2 TYR 18 33.835 24.134 27.862 120 HH TYR 18 HH TYR 18 35.264 27.340 28.562 121 H ARG 19 H ARG 19 29.633 25.276 33.816 122 HA ARG 19 HA ARG 19 27.821 23.390 35.188 123 HB2 ARG 19 HB2 ARG 19 29.256 24.899 36.482 124 HB3 ARG 19 HB3 ARG 19 28.589 26.295 35.674 125 HG2 ARG 19 HG2 ARG 19 27.667 26.158 37.890 126 HG3 ARG 19 HG3 ARG 19 26.387 25.879 36.724 127 HD2 ARG 19 HD2 ARG 19 26.121 24.361 38.579 128 HD3 ARG 19 HD3 ARG 19 26.547 23.431 37.136 129 HE ARG 19 HE ARG 19 28.855 24.170 38.801 130 HH11 ARG 19 HH11 ARG 19 26.317 21.713 38.653 131 HH12 ARG 19 HH12 ARG 19 27.455 20.488 39.232 132 HH21 ARG 19 HH21 ARG 19 30.079 22.587 39.626 133 HH22 ARG 19 HH22 ARG 19 29.419 20.945 39.762 134 H GLN 20 H GLN 20 27.531 26.108 32.927 135 HA GLN 20 HA GLN 20 24.720 25.262 32.407 136 HB2 GLN 20 HB2 GLN 20 25.574 28.122 32.941 137 HB3 GLN 20 HB3 GLN 20 24.015 27.674 32.295 138 HG2 GLN 20 HG2 GLN 20 24.989 26.783 35.047 139 HG3 GLN 20 HG3 GLN 20 24.104 28.253 34.737 140 HE21 GLN 20 HE21 GLN 20 22.018 24.797 34.975 141 HE22 GLN 20 HE22 GLN 20 23.789 24.734 34.853 142 H GLY 21 H GLY 21 23.830 26.294 30.412 143 HA2 GLY 21 HA2 GLY 21 25.693 27.484 28.504 144 HA3 GLY 21 HA3 GLY 21 25.093 25.895 28.027 145 H LYS 22 H LYS 22 24.725 28.689 26.947 146 HA LYS 22 HA LYS 22 21.843 28.609 26.319 147 HB2 LYS 22 HB2 LYS 22 23.133 31.008 27.712 148 HB3 LYS 22 HB3 LYS 22 21.573 31.068 26.917 149 HG2 LYS 22 HG2 LYS 22 22.187 29.343 29.342 150 HG3 LYS 22 HG3 LYS 22 21.383 30.900 29.362 151 HD2 LYS 22 HD2 LYS 22 19.489 30.121 28.144 152 HD3 LYS 22 HD3 LYS 22 20.268 28.603 27.709 153 HE2 LYS 22 HE2 LYS 22 19.547 29.364 30.556 154 HE3 LYS 22 HE3 LYS 22 18.538 28.389 29.494 155 HZ1 LYS 22 HZ1 LYS 22 20.821 27.049 29.307 156 HZ2 LYS 22 HZ2 LYS 22 20.996 27.675 30.823 157 HZ3 LYS 22 HZ3 LYS 22 19.683 26.746 30.475 158 H CYS 23 H CYS 23 21.337 30.624 24.805 159 HA CYS 23 HA CYS 23 23.681 31.463 23.219 160 HB2 CYS 23 HB2 CYS 23 22.880 30.683 21.164 161 HB3 CYS 23 HB3 CYS 23 22.875 29.304 22.251 162 H TRP 24 H TRP 24 23.041 32.986 21.458 163 HA TRP 24 HA TRP 24 20.560 34.569 21.867 164 HB2 TRP 24 HB2 TRP 24 21.811 36.647 21.911 165 HB3 TRP 24 HB3 TRP 24 22.236 35.629 23.268 166 HD1 TRP 24 HD1 TRP 24 24.720 35.058 23.610 167 HE1 TRP 24 HE1 TRP 24 26.935 35.807 22.525 168 HE3 TRP 24 HE3 TRP 24 22.840 37.283 19.390 169 HZ2 TRP 24 HZ2 TRP 24 27.763 37.198 20.159 170 HZ3 TRP 24 HZ3 TRP 24 24.375 38.373 17.770 171 HH2 TRP 24 HH2 TRP 24 26.827 38.361 18.151 172 H GLY 25 H GLY 25 23.151 33.504 19.709 173 HA2 GLY 25 HA2 GLY 25 22.194 35.214 17.498 174 HA3 GLY 25 HA3 GLY 25 23.629 34.226 17.537 175 H ILE 26 H ILE 26 21.983 34.381 15.322 176 HA ILE 26 HA ILE 26 20.206 32.088 15.215 177 HB ILE 26 HB ILE 26 19.906 34.312 14.078 178 HG12 ILE 26 HG12 ILE 26 19.586 32.053 12.087 179 HG13 ILE 26 HG13 ILE 26 18.680 32.057 13.600 180 HG21 ILE 26 HG21 ILE 26 21.793 33.132 11.980 181 HG22 ILE 26 HG22 ILE 26 20.875 34.637 11.853 182 HG23 ILE 26 HG23 ILE 26 22.168 34.501 13.050 183 HD11 ILE 26 HD11 ILE 26 17.355 33.037 11.800 184 HD12 ILE 26 HD12 ILE 26 17.695 34.245 13.056 185 HD13 ILE 26 HD13 ILE 26 18.597 34.272 11.523 186 H GLN 27 H GLN 27 23.556 32.034 15.094 187 HA GLN 27 HA GLN 27 23.941 30.127 12.995 188 HB2 GLN 27 HB2 GLN 27 25.785 31.436 13.998 189 HB3 GLN 27 HB3 GLN 27 25.611 30.483 15.492 190 HG2 GLN 27 HG2 GLN 27 26.227 28.436 14.291 191 HG3 GLN 27 HG3 GLN 27 26.228 29.308 12.757 192 HE21 GLN 27 HE21 GLN 27 29.736 29.424 13.230 193 HE22 GLN 27 HE22 GLN 27 28.402 28.702 12.317 194 H TYR 28 H TYR 28 23.655 27.986 12.899 195 HA TYR 28 HA TYR 28 22.342 26.542 15.137 196 HB2 TYR 28 HB2 TYR 28 23.017 25.730 12.294 197 HB3 TYR 28 HB3 TYR 28 22.249 24.681 13.467 198 HD1 TYR 28 HD1 TYR 28 20.849 28.047 13.801 199 HD2 TYR 28 HD2 TYR 28 20.719 24.383 11.515 200 HE1 TYR 28 HE1 TYR 28 18.646 28.680 12.906 201 HE2 TYR 28 HE2 TYR 28 18.494 25.031 10.624 202 HH TYR 28 HH TYR 28 16.892 28.087 11.519 203 H LYS 29 H LYS 29 23.090 24.440 15.855 204 HA LYS 29 HA LYS 29 24.600 23.082 16.865 205 HB2 LYS 29 HB2 LYS 29 26.366 23.428 14.428 206 HB3 LYS 29 HB3 LYS 29 26.298 22.055 15.517 207 HG2 LYS 29 HG2 LYS 29 24.106 22.906 13.572 208 HG3 LYS 29 HG3 LYS 29 25.259 21.604 13.340 209 HD2 LYS 29 HD2 LYS 29 24.332 20.480 15.408 210 HD3 LYS 29 HD3 LYS 29 23.061 21.709 15.450 211 HE2 LYS 29 HE2 LYS 29 23.617 19.787 13.135 212 HE3 LYS 29 HE3 LYS 29 22.368 19.568 14.361 213 HZ1 LYS 29 HZ1 LYS 29 21.348 21.656 13.611 214 HZ2 LYS 29 HZ2 LYS 29 22.464 21.820 12.414 215 HZ3 LYS 29 HZ3 LYS 29 21.419 20.564 12.390 216 H TYR 30 H TYR 30 24.786 25.770 17.620 217 HA TYR 30 HA TYR 30 27.452 25.880 18.836 218 HB2 TYR 30 HB2 TYR 30 27.882 26.986 16.708 219 HB3 TYR 30 HB3 TYR 30 26.479 28.023 16.914 220 HD1 TYR 30 HD1 TYR 30 26.666 30.092 18.032 221 HD2 TYR 30 HD2 TYR 30 29.829 27.205 18.423 222 HE1 TYR 30 HE1 TYR 30 27.981 31.727 19.370 223 HE2 TYR 30 HE2 TYR 30 31.167 28.853 19.723 224 HH TYR 30 HH TYR 30 31.291 31.031 20.474 225 H CYS 31 H CYS 31 27.545 27.087 20.665 226 HA CYS 31 HA CYS 31 25.291 28.637 21.770 227 HB2 CYS 31 HB2 CYS 31 26.335 26.049 22.999 228 HB3 CYS 31 HB3 CYS 31 25.205 27.142 23.773 229 H GLN 32 H GLN 32 25.992 29.326 24.122 230 HA GLN 32 HA GLN 32 28.963 29.334 24.462 231 HB2 GLN 32 HB2 GLN 32 27.054 31.558 25.260 232 HB3 GLN 32 HB3 GLN 32 28.732 31.409 25.748 233 HG2 GLN 32 HG2 GLN 32 29.120 32.749 23.982 234 HG3 GLN 32 HG3 GLN 32 29.176 31.235 23.102 235 HE21 GLN 32 HE21 GLN 32 27.033 33.626 21.216 236 HE22 GLN 32 HE22 GLN 32 28.746 33.373 21.574 237 H CYS 33 H CYS 33 29.749 28.696 26.350 238 HA CYS 33 HA CYS 33 27.896 27.549 28.360 239 HB2 CYS 33 HB2 CYS 33 30.800 26.866 27.833 240 HB3 CYS 33 HB3 CYS 33 29.650 26.001 28.842 241 H TYR 34 H TYR 34 28.493 27.607 30.533 242 HA TYR 34 HA TYR 34 30.226 29.864 31.448 243 HB2 TYR 34 HB2 TYR 34 27.419 29.367 32.466 244 HB3 TYR 34 HB3 TYR 34 28.453 30.742 32.804 245 HD1 TYR 34 HD1 TYR 34 28.716 32.550 31.115 246 HD2 TYR 34 HD2 TYR 34 26.175 29.155 30.396 247 HE1 TYR 34 HE1 TYR 34 27.739 33.702 29.139 248 HE2 TYR 34 HE2 TYR 34 25.209 30.312 28.404 249 HH TYR 34 HH TYR 34 26.289 33.546 27.356 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 11.621 27.405 12.657 2 H2 GLY 1 H2 GLY 1 13.161 27.479 12.077 3 H3 GLY 1 H3 GLY 1 12.881 27.623 13.690 4 HA2 GLY 1 HA2 GLY 1 12.099 25.377 13.849 5 HA3 GLY 1 HA3 GLY 1 12.339 25.205 12.100 6 H MET 2 H MET 2 14.652 25.776 11.357 7 HA MET 2 HA MET 2 16.328 23.852 12.610 8 HB2 MET 2 HB2 MET 2 17.871 24.297 10.812 9 HB3 MET 2 HB3 MET 2 16.227 24.204 10.220 10 HG2 MET 2 HG2 MET 2 17.157 25.957 9.018 11 HG3 MET 2 HG3 MET 2 16.173 26.758 10.232 12 HE1 MET 2 HE1 MET 2 19.931 25.243 10.650 13 HE2 MET 2 HE2 MET 2 19.726 25.804 8.975 14 HE3 MET 2 HE3 MET 2 20.818 26.667 10.078 15 H ALA 3 H ALA 3 16.183 27.223 13.401 16 HA ALA 3 HA ALA 3 18.900 27.620 14.152 17 HB1 ALA 3 HB1 ALA 3 17.984 29.539 15.417 18 HB2 ALA 3 HB2 ALA 3 17.326 29.447 13.774 19 HB3 ALA 3 HB3 ALA 3 16.339 28.922 15.162 20 H CYS 4 H CYS 4 19.888 27.785 16.204 21 HA CYS 4 HA CYS 4 19.666 25.593 17.934 22 HB2 CYS 4 HB2 CYS 4 21.655 26.953 17.595 23 HB3 CYS 4 HB3 CYS 4 20.889 28.346 18.353 24 H GLN 5 H GLN 5 18.358 25.051 19.577 25 HA GLN 5 HA GLN 5 16.356 26.944 20.607 26 HB2 GLN 5 HB2 GLN 5 15.630 24.714 20.073 27 HB3 GLN 5 HB3 GLN 5 16.904 23.995 21.049 28 HG2 GLN 5 HG2 GLN 5 14.784 23.763 22.167 29 HG3 GLN 5 HG3 GLN 5 15.831 24.798 23.119 30 HE21 GLN 5 HE21 GLN 5 12.204 26.162 22.438 31 HE22 GLN 5 HE22 GLN 5 12.685 24.476 22.544 32 H PHE 6 H PHE 6 16.739 28.246 22.292 33 HA PHE 6 HA PHE 6 19.174 28.568 23.457 34 HB2 PHE 6 HB2 PHE 6 18.198 30.129 24.955 35 HB3 PHE 6 HB3 PHE 6 17.342 30.223 23.429 36 HD1 PHE 6 HD1 PHE 6 14.998 29.308 23.240 37 HD2 PHE 6 HD2 PHE 6 17.079 29.483 27.015 38 HE1 PHE 6 HE1 PHE 6 12.861 28.896 24.445 39 HE2 PHE 6 HE2 PHE 6 14.942 29.095 28.207 40 HZ PHE 6 HZ PHE 6 12.833 28.778 26.924 41 H TRP 7 H TRP 7 16.562 26.684 25.076 42 HA TRP 7 HA TRP 7 18.193 26.185 27.415 43 HB2 TRP 7 HB2 TRP 7 16.357 24.971 28.235 44 HB3 TRP 7 HB3 TRP 7 15.699 26.345 27.380 45 HD1 TRP 7 HD1 TRP 7 14.001 25.843 25.442 46 HE1 TRP 7 HE1 TRP 7 12.916 23.703 24.485 47 HE3 TRP 7 HE3 TRP 7 16.854 22.297 27.821 48 HZ2 TRP 7 HZ2 TRP 7 13.292 20.874 24.650 49 HZ3 TRP 7 HZ3 TRP 7 16.497 19.887 27.355 50 HH2 TRP 7 HH2 TRP 7 14.721 19.162 25.771 51 H SER 8 H SER 8 17.918 24.516 24.362 52 HA SER 8 HA SER 8 18.584 21.849 25.218 53 HB2 SER 8 HB2 SER 8 17.473 22.375 23.104 54 HB3 SER 8 HB3 SER 8 18.908 23.241 22.532 55 HG SER 8 HG SER 8 19.864 21.451 22.104 56 H CYS 9 H CYS 9 20.531 24.678 24.499 57 HA CYS 9 HA CYS 9 23.109 23.530 24.268 58 HB2 CYS 9 HB2 CYS 9 21.922 26.169 25.055 59 HB3 CYS 9 HB3 CYS 9 23.628 25.911 25.373 60 H ASN 10 H ASN 10 21.238 24.139 27.284 61 HA ASN 10 HA ASN 10 23.472 24.419 28.966 62 HB2 ASN 10 HB2 ASN 10 20.939 24.832 29.394 63 HB3 ASN 10 HB3 ASN 10 20.895 23.163 29.957 64 HD21 ASN 10 HD21 ASN 10 22.459 23.965 33.032 65 HD22 ASN 10 HD22 ASN 10 21.785 22.690 32.044 66 H SER 11 H SER 11 21.613 21.363 28.413 67 HA SER 11 HA SER 11 23.449 19.682 29.789 68 HB2 SER 11 HB2 SER 11 21.126 19.063 29.110 69 HB3 SER 11 HB3 SER 11 21.702 18.899 27.440 70 HG SER 11 HG SER 11 22.167 16.934 28.044 71 H SER 12 H SER 12 23.631 20.973 26.464 72 HA SER 12 HA SER 12 25.757 19.194 25.602 73 HB2 SER 12 HB2 SER 12 24.377 20.362 23.951 74 HB3 SER 12 HB3 SER 12 24.981 21.930 24.534 75 HG SER 12 HG SER 12 26.251 21.325 22.794 76 H CYS 13 H CYS 13 25.789 22.545 26.967 77 HA CYS 13 HA CYS 13 28.652 22.823 27.011 78 HB2 CYS 13 HB2 CYS 13 26.420 24.046 28.659 79 HB3 CYS 13 HB3 CYS 13 28.105 24.502 28.857 80 H ILE 14 H ILE 14 26.344 21.486 29.424 81 HA ILE 14 HA ILE 14 28.277 20.763 31.390 82 HB ILE 14 HB ILE 14 25.537 19.713 30.688 83 HG12 ILE 14 HG12 ILE 14 26.526 21.230 33.146 84 HG13 ILE 14 HG13 ILE 14 25.945 22.051 31.704 85 HG21 ILE 14 HG21 ILE 14 25.541 18.453 32.819 86 HG22 ILE 14 HG22 ILE 14 26.715 17.801 31.690 87 HG23 ILE 14 HG23 ILE 14 27.261 18.825 33.040 88 HD11 ILE 14 HD11 ILE 14 23.743 20.887 31.925 89 HD12 ILE 14 HD12 ILE 14 24.310 20.208 33.469 90 HD13 ILE 14 HD13 ILE 14 24.144 21.956 33.282 91 H SER 15 H SER 15 27.093 18.863 28.560 92 HA SER 15 HA SER 15 28.726 16.603 28.936 93 HB2 SER 15 HB2 SER 15 27.673 17.866 26.380 94 HB3 SER 15 HB3 SER 15 28.480 16.301 26.440 95 HG SER 15 HG SER 15 25.984 16.606 26.735 96 H ARG 16 H ARG 16 29.748 19.763 27.491 97 HA ARG 16 HA ARG 16 32.405 18.742 26.796 98 HB2 ARG 16 HB2 ARG 16 31.784 21.621 27.451 99 HB3 ARG 16 HB3 ARG 16 33.040 20.989 26.397 100 HG2 ARG 16 HG2 ARG 16 30.085 21.296 25.908 101 HG3 ARG 16 HG3 ARG 16 31.394 22.063 25.064 102 HD2 ARG 16 HD2 ARG 16 31.530 20.407 23.545 103 HD3 ARG 16 HD3 ARG 16 31.645 19.166 24.800 104 HE ARG 16 HE ARG 16 28.957 20.140 24.638 105 HH11 ARG 16 HH11 ARG 16 31.131 17.815 23.154 106 HH12 ARG 16 HH12 ARG 16 29.828 16.980 22.348 107 HH21 ARG 16 HH21 ARG 16 27.381 19.169 23.415 108 HH22 ARG 16 HH22 ARG 16 27.723 17.634 22.644 109 H GLY 17 H GLY 17 31.026 19.982 29.778 110 HA2 GLY 17 HA2 GLY 17 32.327 19.239 31.804 111 HA3 GLY 17 HA3 GLY 17 33.746 19.966 31.066 112 H TYR 18 H TYR 18 31.000 21.940 30.519 113 HA TYR 18 HA TYR 18 31.777 23.882 32.625 114 HB2 TYR 18 HB2 TYR 18 29.730 24.047 30.391 115 HB3 TYR 18 HB3 TYR 18 30.193 25.356 31.454 116 HD1 TYR 18 HD1 TYR 18 32.388 26.474 31.254 117 HD2 TYR 18 HD2 TYR 18 31.149 23.415 28.502 118 HE1 TYR 18 HE1 TYR 18 34.154 27.193 29.648 119 HE2 TYR 18 HE2 TYR 18 32.945 24.102 26.912 120 HH TYR 18 HH TYR 18 34.642 25.564 26.490 121 H ARG 19 H ARG 19 29.586 25.043 33.571 122 HA ARG 19 HA ARG 19 27.930 22.851 34.796 123 HB2 ARG 19 HB2 ARG 19 29.091 25.426 35.819 124 HB3 ARG 19 HB3 ARG 19 27.562 24.890 36.495 125 HG2 ARG 19 HG2 ARG 19 30.011 23.076 36.408 126 HG3 ARG 19 HG3 ARG 19 29.699 24.221 37.702 127 HD2 ARG 19 HD2 ARG 19 28.721 22.422 38.670 128 HD3 ARG 19 HD3 ARG 19 27.327 23.070 37.810 129 HE ARG 19 HE ARG 19 27.255 21.176 36.509 130 HH11 ARG 19 HH11 ARG 19 30.397 21.156 38.123 131 HH12 ARG 19 HH12 ARG 19 30.749 19.533 37.584 132 HH21 ARG 19 HH21 ARG 19 27.742 19.077 35.983 133 HH22 ARG 19 HH22 ARG 19 29.312 18.422 36.375 134 H GLN 20 H GLN 20 27.684 25.914 33.082 135 HA GLN 20 HA GLN 20 24.801 25.304 32.546 136 HB2 GLN 20 HB2 GLN 20 25.944 27.996 33.398 137 HB3 GLN 20 HB3 GLN 20 24.358 27.808 32.676 138 HG2 GLN 20 HG2 GLN 20 25.184 26.557 35.315 139 HG3 GLN 20 HG3 GLN 20 24.321 28.075 35.121 140 HE21 GLN 20 HE21 GLN 20 22.290 24.556 34.950 141 HE22 GLN 20 HE22 GLN 20 24.044 24.611 34.998 142 H GLY 21 H GLY 21 23.923 26.602 30.700 143 HA2 GLY 21 HA2 GLY 21 25.454 28.292 29.099 144 HA3 GLY 21 HA3 GLY 21 25.623 26.703 28.375 145 H LYS 22 H LYS 22 24.598 28.812 27.019 146 HA LYS 22 HA LYS 22 21.894 27.933 26.213 147 HB2 LYS 22 HB2 LYS 22 22.351 30.696 27.398 148 HB3 LYS 22 HB3 LYS 22 21.063 30.367 26.257 149 HG2 LYS 22 HG2 LYS 22 19.786 29.929 27.998 150 HG3 LYS 22 HG3 LYS 22 20.548 28.349 27.990 151 HD2 LYS 22 HD2 LYS 22 22.282 29.364 29.655 152 HD3 LYS 22 HD3 LYS 22 21.248 30.792 29.665 153 HE2 LYS 22 HE2 LYS 22 20.652 29.505 31.569 154 HE3 LYS 22 HE3 LYS 22 19.328 29.379 30.411 155 HZ1 LYS 22 HZ1 LYS 22 19.861 27.249 31.385 156 HZ2 LYS 22 HZ2 LYS 22 20.140 27.183 29.794 157 HZ3 LYS 22 HZ3 LYS 22 21.408 27.281 30.831 158 H CYS 23 H CYS 23 21.097 29.508 24.321 159 HA CYS 23 HA CYS 23 23.301 30.695 22.804 160 HB2 CYS 23 HB2 CYS 23 22.719 29.626 20.702 161 HB3 CYS 23 HB3 CYS 23 23.266 28.461 21.881 162 H TRP 24 H TRP 24 22.653 32.190 21.201 163 HA TRP 24 HA TRP 24 20.182 33.621 21.909 164 HB2 TRP 24 HB2 TRP 24 22.463 34.437 20.091 165 HB3 TRP 24 HB3 TRP 24 21.170 35.473 20.666 166 HD1 TRP 24 HD1 TRP 24 24.622 34.850 21.301 167 HE1 TRP 24 HE1 TRP 24 25.396 35.821 23.562 168 HE3 TRP 24 HE3 TRP 24 20.046 35.564 23.508 169 HZ2 TRP 24 HZ2 TRP 24 24.203 36.907 25.903 170 HZ3 TRP 24 HZ3 TRP 24 19.904 36.648 25.729 171 HH2 TRP 24 HH2 TRP 24 21.959 37.392 26.914 172 H GLY 25 H GLY 25 19.733 31.183 20.308 173 HA2 GLY 25 HA2 GLY 25 18.286 30.551 18.626 174 HA3 GLY 25 HA3 GLY 25 17.782 32.235 18.537 175 H ILE 26 H ILE 26 21.048 31.185 17.799 176 HA ILE 26 HA ILE 26 20.955 32.255 15.078 177 HB ILE 26 HB ILE 26 23.417 31.703 15.174 178 HG12 ILE 26 HG12 ILE 26 23.049 31.296 18.155 179 HG13 ILE 26 HG13 ILE 26 23.024 29.924 17.055 180 HG21 ILE 26 HG21 ILE 26 22.288 33.507 17.365 181 HG22 ILE 26 HG22 ILE 26 23.909 33.606 16.660 182 HG23 ILE 26 HG23 ILE 26 22.497 33.943 15.655 183 HD11 ILE 26 HD11 ILE 26 25.330 31.902 17.294 184 HD12 ILE 26 HD12 ILE 26 25.257 30.274 17.986 185 HD13 ILE 26 HD13 ILE 26 25.274 30.485 16.223 186 H GLN 27 H GLN 27 22.103 31.105 13.288 187 HA GLN 27 HA GLN 27 20.535 28.833 12.547 188 HB2 GLN 27 HB2 GLN 27 23.019 30.036 11.289 189 HB3 GLN 27 HB3 GLN 27 21.975 28.866 10.493 190 HG2 GLN 27 HG2 GLN 27 20.160 30.431 10.335 191 HG3 GLN 27 HG3 GLN 27 20.940 31.571 11.426 192 HE21 GLN 27 HE21 GLN 27 21.652 33.109 8.213 193 HE22 GLN 27 HE22 GLN 27 20.313 32.943 9.341 194 H TYR 28 H TYR 28 23.786 28.943 13.926 195 HA TYR 28 HA TYR 28 23.955 25.955 13.763 196 HB2 TYR 28 HB2 TYR 28 25.726 26.770 12.463 197 HB3 TYR 28 HB3 TYR 28 26.095 28.068 13.592 198 HD1 TYR 28 HD1 TYR 28 27.476 27.733 15.524 199 HD2 TYR 28 HD2 TYR 28 26.471 24.428 12.955 200 HE1 TYR 28 HE1 TYR 28 29.151 26.296 16.695 201 HE2 TYR 28 HE2 TYR 28 28.151 22.999 14.135 202 HH TYR 28 HH TYR 28 29.762 24.165 17.084 203 H LYS 29 H LYS 29 24.537 24.847 15.556 204 HA LYS 29 HA LYS 29 23.595 25.956 18.062 205 HB2 LYS 29 HB2 LYS 29 24.614 23.198 17.319 206 HB3 LYS 29 HB3 LYS 29 23.895 23.606 18.885 207 HG2 LYS 29 HG2 LYS 29 21.771 24.152 17.907 208 HG3 LYS 29 HG3 LYS 29 22.415 24.079 16.269 209 HD2 LYS 29 HD2 LYS 29 22.866 21.631 16.562 210 HD3 LYS 29 HD3 LYS 29 22.149 21.737 18.176 211 HE2 LYS 29 HE2 LYS 29 20.453 20.892 16.705 212 HE3 LYS 29 HE3 LYS 29 20.010 22.540 17.145 213 HZ1 LYS 29 HZ1 LYS 29 21.281 21.721 14.576 214 HZ2 LYS 29 HZ2 LYS 29 19.715 22.188 14.790 215 HZ3 LYS 29 HZ3 LYS 29 20.932 23.272 14.983 216 H TYR 30 H TYR 30 25.646 27.505 17.619 217 HA TYR 30 HA TYR 30 27.882 26.738 19.413 218 HB2 TYR 30 HB2 TYR 30 28.608 28.156 17.648 219 HB3 TYR 30 HB3 TYR 30 27.243 29.235 17.829 220 HD1 TYR 30 HD1 TYR 30 30.396 28.061 19.485 221 HD2 TYR 30 HD2 TYR 30 27.314 31.080 19.344 222 HE1 TYR 30 HE1 TYR 30 31.632 29.413 21.168 223 HE2 TYR 30 HE2 TYR 30 28.574 32.424 21.004 224 HH TYR 30 HH TYR 30 30.486 32.639 22.197 225 H CYS 31 H CYS 31 27.776 26.979 21.522 226 HA CYS 31 HA CYS 31 25.517 28.528 22.728 227 HB2 CYS 31 HB2 CYS 31 27.042 26.199 23.902 228 HB3 CYS 31 HB3 CYS 31 25.599 26.941 24.558 229 H GLN 32 H GLN 32 25.936 29.880 24.468 230 HA GLN 32 HA GLN 32 28.757 30.504 25.184 231 HB2 GLN 32 HB2 GLN 32 26.194 31.454 26.542 232 HB3 GLN 32 HB3 GLN 32 27.840 32.019 26.822 233 HG2 GLN 32 HG2 GLN 32 26.928 33.692 25.489 234 HG3 GLN 32 HG3 GLN 32 27.893 32.731 24.368 235 HE21 GLN 32 HE21 GLN 32 25.050 32.462 22.263 236 HE22 GLN 32 HE22 GLN 32 26.676 33.103 22.433 237 H CYS 33 H CYS 33 29.734 29.528 26.911 238 HA CYS 33 HA CYS 33 28.095 27.669 28.585 239 HB2 CYS 33 HB2 CYS 33 30.835 27.050 27.482 240 HB3 CYS 33 HB3 CYS 33 29.862 26.049 28.555 241 H TYR 34 H TYR 34 28.394 27.738 30.671 242 HA TYR 34 HA TYR 34 30.523 29.503 31.788 243 HB2 TYR 34 HB2 TYR 34 27.733 29.102 32.825 244 HB3 TYR 34 HB3 TYR 34 28.902 30.280 33.373 245 HD1 TYR 34 HD1 TYR 34 26.107 29.733 31.237 246 HD2 TYR 34 HD2 TYR 34 29.759 31.992 31.557 247 HE1 TYR 34 HE1 TYR 34 25.224 31.383 29.597 248 HE2 TYR 34 HE2 TYR 34 28.865 33.665 29.927 249 HH TYR 34 HH TYR 34 25.650 33.244 28.400 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 14.718 25.942 16.055 2 H2 GLY 1 H2 GLY 1 14.516 24.347 15.674 3 H3 GLY 1 H3 GLY 1 13.206 25.326 15.841 4 HA2 GLY 1 HA2 GLY 1 13.648 24.882 13.518 5 HA3 GLY 1 HA3 GLY 1 13.836 26.605 13.916 6 H MET 2 H MET 2 15.240 26.969 12.199 7 HA MET 2 HA MET 2 17.633 25.484 11.624 8 HB2 MET 2 HB2 MET 2 16.870 28.381 11.055 9 HB3 MET 2 HB3 MET 2 18.247 27.543 10.323 10 HG2 MET 2 HG2 MET 2 16.772 25.946 9.236 11 HG3 MET 2 HG3 MET 2 15.357 26.651 9.997 12 HE1 MET 2 HE1 MET 2 15.737 29.834 9.721 13 HE2 MET 2 HE2 MET 2 14.895 30.066 8.180 14 HE3 MET 2 HE3 MET 2 14.247 28.927 9.376 15 H ALA 3 H ALA 3 17.019 28.125 13.907 16 HA ALA 3 HA ALA 3 19.846 28.696 14.390 17 HB1 ALA 3 HB1 ALA 3 17.313 29.601 15.805 18 HB2 ALA 3 HB2 ALA 3 18.943 30.255 16.070 19 HB3 ALA 3 HB3 ALA 3 18.151 30.455 14.499 20 H CYS 4 H CYS 4 20.697 28.699 16.604 21 HA CYS 4 HA CYS 4 21.219 26.149 17.469 22 HB2 CYS 4 HB2 CYS 4 22.229 27.267 19.449 23 HB3 CYS 4 HB3 CYS 4 22.676 27.986 17.914 24 H GLN 5 H GLN 5 20.871 24.915 19.275 25 HA GLN 5 HA GLN 5 18.083 24.802 20.196 26 HB2 GLN 5 HB2 GLN 5 20.477 22.957 20.519 27 HB3 GLN 5 HB3 GLN 5 18.861 22.595 21.173 28 HG2 GLN 5 HG2 GLN 5 17.923 22.220 19.090 29 HG3 GLN 5 HG3 GLN 5 19.026 23.281 18.238 30 HE21 GLN 5 HE21 GLN 5 20.412 19.474 19.065 31 HE22 GLN 5 HE22 GLN 5 19.208 20.146 20.143 32 H PHE 6 H PHE 6 18.608 26.960 21.272 33 HA PHE 6 HA PHE 6 20.238 27.560 23.322 34 HB2 PHE 6 HB2 PHE 6 18.551 29.242 23.999 35 HB3 PHE 6 HB3 PHE 6 18.790 29.147 22.265 36 HD1 PHE 6 HD1 PHE 6 16.408 28.387 25.035 37 HD2 PHE 6 HD2 PHE 6 17.001 28.489 20.773 38 HE1 PHE 6 HE1 PHE 6 13.992 27.968 24.693 39 HE2 PHE 6 HE2 PHE 6 14.580 28.059 20.426 40 HZ PHE 6 HZ PHE 6 13.072 27.777 22.392 41 H TRP 7 H TRP 7 17.153 25.806 23.990 42 HA TRP 7 HA TRP 7 17.535 25.915 26.867 43 HB2 TRP 7 HB2 TRP 7 15.619 24.516 26.979 44 HB3 TRP 7 HB3 TRP 7 15.322 25.714 25.741 45 HD1 TRP 7 HD1 TRP 7 14.770 24.804 23.329 46 HE1 TRP 7 HE1 TRP 7 14.516 22.477 22.281 47 HE3 TRP 7 HE3 TRP 7 16.415 21.951 27.258 48 HZ2 TRP 7 HZ2 TRP 7 15.065 19.730 23.008 49 HZ3 TRP 7 HZ3 TRP 7 16.613 19.503 27.029 50 HH2 TRP 7 HH2 TRP 7 15.945 18.369 24.905 51 H SER 8 H SER 8 18.290 23.491 24.353 52 HA SER 8 HA SER 8 19.122 21.458 26.272 53 HB2 SER 8 HB2 SER 8 18.104 20.962 24.034 54 HB3 SER 8 HB3 SER 8 19.610 21.491 23.271 55 HG SER 8 HG SER 8 20.656 19.803 24.144 56 H CYS 9 H CYS 9 20.737 24.046 24.524 57 HA CYS 9 HA CYS 9 23.395 23.368 24.607 58 HB2 CYS 9 HB2 CYS 9 21.931 25.951 25.221 59 HB3 CYS 9 HB3 CYS 9 23.666 25.858 25.266 60 H ASN 10 H ASN 10 21.418 24.162 27.480 61 HA ASN 10 HA ASN 10 23.577 24.390 29.318 62 HB2 ASN 10 HB2 ASN 10 20.903 24.720 29.545 63 HB3 ASN 10 HB3 ASN 10 21.036 23.118 30.263 64 HD21 ASN 10 HD21 ASN 10 22.359 24.401 33.277 65 HD22 ASN 10 HD22 ASN 10 21.795 22.991 32.392 66 H SER 11 H SER 11 21.663 21.411 28.498 67 HA SER 11 HA SER 11 23.365 19.615 29.955 68 HB2 SER 11 HB2 SER 11 21.047 19.127 29.198 69 HB3 SER 11 HB3 SER 11 21.627 19.069 27.523 70 HG SER 11 HG SER 11 22.411 17.425 29.720 71 H SER 12 H SER 12 23.561 20.850 26.587 72 HA SER 12 HA SER 12 25.638 19.085 25.733 73 HB2 SER 12 HB2 SER 12 25.066 21.882 24.683 74 HB3 SER 12 HB3 SER 12 25.887 20.559 23.839 75 HG SER 12 HG SER 12 23.667 20.697 23.228 76 H CYS 13 H CYS 13 25.785 22.382 27.097 77 HA CYS 13 HA CYS 13 28.663 22.613 27.126 78 HB2 CYS 13 HB2 CYS 13 26.451 24.005 28.662 79 HB3 CYS 13 HB3 CYS 13 28.151 24.444 28.800 80 H ILE 14 H ILE 14 26.268 21.530 29.619 81 HA ILE 14 HA ILE 14 28.165 20.946 31.657 82 HB ILE 14 HB ILE 14 25.392 19.942 31.007 83 HG12 ILE 14 HG12 ILE 14 26.480 21.482 33.420 84 HG13 ILE 14 HG13 ILE 14 25.893 22.271 31.971 85 HG21 ILE 14 HG21 ILE 14 25.329 18.736 33.171 86 HG22 ILE 14 HG22 ILE 14 26.458 18.008 32.056 87 HG23 ILE 14 HG23 ILE 14 27.071 19.020 33.386 88 HD11 ILE 14 HD11 ILE 14 24.139 22.308 33.604 89 HD12 ILE 14 HD12 ILE 14 23.651 21.200 32.302 90 HD13 ILE 14 HD13 ILE 14 24.238 20.564 33.856 91 H SER 15 H SER 15 27.092 18.941 28.910 92 HA SER 15 HA SER 15 28.721 16.678 29.556 93 HB2 SER 15 HB2 SER 15 27.743 17.585 26.819 94 HB3 SER 15 HB3 SER 15 28.352 15.977 27.247 95 HG SER 15 HG SER 15 25.988 17.283 28.126 96 H ARG 16 H ARG 16 29.796 19.786 28.281 97 HA ARG 16 HA ARG 16 32.418 18.732 27.421 98 HB2 ARG 16 HB2 ARG 16 31.695 21.561 28.178 99 HB3 ARG 16 HB3 ARG 16 33.055 21.032 27.211 100 HG2 ARG 16 HG2 ARG 16 30.135 21.141 26.408 101 HG3 ARG 16 HG3 ARG 16 31.456 22.102 25.823 102 HD2 ARG 16 HD2 ARG 16 31.394 20.663 24.070 103 HD3 ARG 16 HD3 ARG 16 32.420 19.675 25.123 104 HE ARG 16 HE ARG 16 29.470 19.351 25.349 105 HH11 ARG 16 HH11 ARG 16 32.447 17.865 24.053 106 HH12 ARG 16 HH12 ARG 16 31.626 16.304 23.994 107 HH21 ARG 16 HH21 ARG 16 28.549 17.413 24.661 108 HH22 ARG 16 HH22 ARG 16 29.610 16.055 24.410 109 H GLY 17 H GLY 17 30.912 19.792 30.386 110 HA2 GLY 17 HA2 GLY 17 32.065 19.099 32.489 111 HA3 GLY 17 HA3 GLY 17 33.523 19.873 31.860 112 H TYR 18 H TYR 18 31.257 21.990 30.826 113 HA TYR 18 HA TYR 18 31.671 23.925 32.941 114 HB2 TYR 18 HB2 TYR 18 29.782 24.014 30.561 115 HB3 TYR 18 HB3 TYR 18 30.320 25.384 31.520 116 HD1 TYR 18 HD1 TYR 18 30.871 23.690 28.507 117 HD2 TYR 18 HD2 TYR 18 32.995 25.665 31.685 118 HE1 TYR 18 HE1 TYR 18 32.845 23.968 27.012 119 HE2 TYR 18 HE2 TYR 18 34.969 25.920 30.198 120 HH TYR 18 HH TYR 18 35.953 25.100 28.228 121 H ARG 19 H ARG 19 29.488 25.267 33.578 122 HA ARG 19 HA ARG 19 27.618 23.223 34.767 123 HB2 ARG 19 HB2 ARG 19 28.599 25.780 36.058 124 HB3 ARG 19 HB3 ARG 19 27.458 24.638 36.751 125 HG2 ARG 19 HG2 ARG 19 30.398 24.135 36.148 126 HG3 ARG 19 HG3 ARG 19 29.661 24.321 37.731 127 HD2 ARG 19 HD2 ARG 19 29.153 22.015 35.810 128 HD3 ARG 19 HD3 ARG 19 30.199 21.972 37.217 129 HE ARG 19 HE ARG 19 27.869 22.700 38.388 130 HH11 ARG 19 HH11 ARG 19 28.327 20.013 36.082 131 HH12 ARG 19 HH12 ARG 19 27.054 19.118 36.883 132 HH21 ARG 19 HH21 ARG 19 26.404 21.498 39.233 133 HH22 ARG 19 HH22 ARG 19 26.041 19.878 38.602 134 H GLN 20 H GLN 20 27.663 26.178 32.930 135 HA GLN 20 HA GLN 20 24.745 25.757 32.554 136 HB2 GLN 20 HB2 GLN 20 26.026 28.346 33.420 137 HB3 GLN 20 HB3 GLN 20 24.717 28.407 32.243 138 HG2 GLN 20 HG2 GLN 20 23.274 27.069 33.795 139 HG3 GLN 20 HG3 GLN 20 24.538 27.193 35.021 140 HE21 GLN 20 HE21 GLN 20 23.632 30.554 35.864 141 HE22 GLN 20 HE22 GLN 20 24.684 29.154 36.196 142 H GLY 21 H GLY 21 23.898 26.572 30.569 143 HA2 GLY 21 HA2 GLY 21 25.755 27.360 28.439 144 HA3 GLY 21 HA3 GLY 21 25.035 25.763 28.248 145 H LYS 22 H LYS 22 24.778 28.654 27.045 146 HA LYS 22 HA LYS 22 21.790 28.757 26.739 147 HB2 LYS 22 HB2 LYS 22 23.633 31.143 27.200 148 HB3 LYS 22 HB3 LYS 22 21.902 31.209 26.983 149 HG2 LYS 22 HG2 LYS 22 23.413 30.152 29.401 150 HG3 LYS 22 HG3 LYS 22 22.478 31.626 29.281 151 HD2 LYS 22 HD2 LYS 22 21.415 28.794 29.364 152 HD3 LYS 22 HD3 LYS 22 21.229 30.050 30.577 153 HE2 LYS 22 HE2 LYS 22 19.788 31.359 29.094 154 HE3 LYS 22 HE3 LYS 22 20.111 30.240 27.763 155 HZ1 LYS 22 HZ1 LYS 22 18.002 29.753 28.731 156 HZ2 LYS 22 HZ2 LYS 22 18.998 28.493 29.015 157 HZ3 LYS 22 HZ3 LYS 22 18.636 29.561 30.235 158 H CYS 23 H CYS 23 21.261 30.370 24.858 159 HA CYS 23 HA CYS 23 23.435 31.014 23.084 160 HB2 CYS 23 HB2 CYS 23 23.126 28.671 22.356 161 HB3 CYS 23 HB3 CYS 23 21.432 29.023 21.989 162 H TRP 24 H TRP 24 22.983 33.025 22.565 163 HA TRP 24 HA TRP 24 20.138 33.881 22.349 164 HB2 TRP 24 HB2 TRP 24 22.586 35.581 22.856 165 HB3 TRP 24 HB3 TRP 24 20.894 36.046 23.035 166 HD1 TRP 24 HD1 TRP 24 23.742 34.932 25.003 167 HE1 TRP 24 HE1 TRP 24 23.089 34.201 27.372 168 HE3 TRP 24 HE3 TRP 24 18.689 34.405 24.317 169 HZ2 TRP 24 HZ2 TRP 24 20.675 33.572 28.789 170 HZ3 TRP 24 HZ3 TRP 24 17.243 33.739 26.213 171 HH2 TRP 24 HH2 TRP 24 18.211 33.335 28.451 172 H GLY 25 H GLY 25 19.331 35.094 20.710 173 HA2 GLY 25 HA2 GLY 25 19.215 36.211 18.686 174 HA3 GLY 25 HA3 GLY 25 20.963 36.106 18.511 175 H ILE 26 H ILE 26 19.989 35.805 16.269 176 HA ILE 26 HA ILE 26 19.267 33.019 15.601 177 HB ILE 26 HB ILE 26 19.558 35.431 13.777 178 HG12 ILE 26 HG12 ILE 26 17.046 34.266 15.075 179 HG13 ILE 26 HG13 ILE 26 17.782 35.813 15.473 180 HG21 ILE 26 HG21 ILE 26 18.330 34.081 12.166 181 HG22 ILE 26 HG22 ILE 26 19.718 33.148 12.696 182 HG23 ILE 26 HG23 ILE 26 18.108 32.772 13.347 183 HD11 ILE 26 HD11 ILE 26 16.410 35.108 12.868 184 HD12 ILE 26 HD12 ILE 26 15.919 36.283 14.091 185 HD13 ILE 26 HD13 ILE 26 17.370 36.590 13.120 186 H GLN 27 H GLN 27 21.224 32.095 16.346 187 HA GLN 27 HA GLN 27 23.444 32.215 14.347 188 HB2 GLN 27 HB2 GLN 27 23.731 31.762 17.343 189 HB3 GLN 27 HB3 GLN 27 25.037 31.694 16.172 190 HG2 GLN 27 HG2 GLN 27 23.425 34.152 16.967 191 HG3 GLN 27 HG3 GLN 27 25.082 33.788 17.396 192 HE21 GLN 27 HE21 GLN 27 25.677 34.456 13.588 193 HE22 GLN 27 HE22 GLN 27 25.655 32.898 14.401 194 H TYR 28 H TYR 28 24.700 30.155 14.180 195 HA TYR 28 HA TYR 28 22.700 27.912 14.268 196 HB2 TYR 28 HB2 TYR 28 24.773 28.325 12.120 197 HB3 TYR 28 HB3 TYR 28 23.345 27.300 12.089 198 HD1 TYR 28 HD1 TYR 28 24.668 30.246 10.800 199 HD2 TYR 28 HD2 TYR 28 21.054 28.750 12.604 200 HE1 TYR 28 HE1 TYR 28 23.391 32.146 9.833 201 HE2 TYR 28 HE2 TYR 28 19.788 30.681 11.672 202 HH TYR 28 HH TYR 28 19.893 32.532 10.245 203 H LYS 29 H LYS 29 23.191 25.969 14.843 204 HA LYS 29 HA LYS 29 24.268 24.229 15.838 205 HB2 LYS 29 HB2 LYS 29 24.744 24.347 13.248 206 HB3 LYS 29 HB3 LYS 29 26.394 24.613 13.729 207 HG2 LYS 29 HG2 LYS 29 26.165 22.295 13.319 208 HG3 LYS 29 HG3 LYS 29 26.237 22.436 15.085 209 HD2 LYS 29 HD2 LYS 29 23.799 22.118 15.230 210 HD3 LYS 29 HD3 LYS 29 23.646 22.189 13.466 211 HE2 LYS 29 HE2 LYS 29 25.091 20.183 13.263 212 HE3 LYS 29 HE3 LYS 29 25.222 20.093 15.024 213 HZ1 LYS 29 HZ1 LYS 29 22.857 19.669 15.142 214 HZ2 LYS 29 HZ2 LYS 29 22.699 19.830 13.485 215 HZ3 LYS 29 HZ3 LYS 29 23.555 18.605 14.105 216 H TYR 30 H TYR 30 24.713 26.180 17.456 217 HA TYR 30 HA TYR 30 27.440 25.942 18.517 218 HB2 TYR 30 HB2 TYR 30 27.566 27.785 16.945 219 HB3 TYR 30 HB3 TYR 30 26.105 28.512 17.623 220 HD1 TYR 30 HD1 TYR 30 29.482 27.313 18.852 221 HD2 TYR 30 HD2 TYR 30 26.438 30.380 18.988 222 HE1 TYR 30 HE1 TYR 30 30.863 28.624 20.441 223 HE2 TYR 30 HE2 TYR 30 27.868 31.712 20.526 224 HH TYR 30 HH TYR 30 30.933 30.435 21.836 225 H CYS 31 H CYS 31 27.672 26.685 20.721 226 HA CYS 31 HA CYS 31 25.296 27.586 22.202 227 HB2 CYS 31 HB2 CYS 31 26.818 25.065 22.924 228 HB3 CYS 31 HB3 CYS 31 25.761 25.920 24.037 229 H GLN 32 H GLN 32 25.797 28.928 23.868 230 HA GLN 32 HA GLN 32 28.639 29.700 24.321 231 HB2 GLN 32 HB2 GLN 32 25.997 30.987 25.144 232 HB3 GLN 32 HB3 GLN 32 27.595 31.629 25.514 233 HG2 GLN 32 HG2 GLN 32 28.100 32.000 23.197 234 HG3 GLN 32 HG3 GLN 32 26.687 31.089 22.652 235 HE21 GLN 32 HE21 GLN 32 26.277 35.017 23.455 236 HE22 GLN 32 HE22 GLN 32 27.749 34.204 23.956 237 H CYS 33 H CYS 33 29.691 29.022 26.130 238 HA CYS 33 HA CYS 33 28.103 27.517 28.187 239 HB2 CYS 33 HB2 CYS 33 30.853 26.857 27.105 240 HB3 CYS 33 HB3 CYS 33 29.940 25.963 28.314 241 H TYR 34 H TYR 34 28.620 27.611 30.255 242 HA TYR 34 HA TYR 34 30.698 29.550 31.185 243 HB2 TYR 34 HB2 TYR 34 27.839 29.333 32.164 244 HB3 TYR 34 HB3 TYR 34 29.057 30.493 32.689 245 HD1 TYR 34 HD1 TYR 34 26.605 29.641 30.106 246 HD2 TYR 34 HD2 TYR 34 29.859 32.261 31.109 247 HE1 TYR 34 HE1 TYR 34 25.910 31.198 28.296 248 HE2 TYR 34 HE2 TYR 34 29.130 33.855 29.340 249 HH TYR 34 HH TYR 34 27.620 34.284 27.665 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 21.237 18.997 19.928 2 H2 GLY 1 H2 GLY 1 21.492 20.454 19.204 3 H3 GLY 1 H3 GLY 1 22.459 19.161 18.843 4 HA2 GLY 1 HA2 GLY 1 20.683 18.012 17.788 5 HA3 GLY 1 HA3 GLY 1 19.578 19.307 18.276 6 H MET 2 H MET 2 19.047 20.540 16.617 7 HA MET 2 HA MET 2 21.077 21.326 14.577 8 HB2 MET 2 HB2 MET 2 19.396 21.224 12.876 9 HB3 MET 2 HB3 MET 2 19.492 19.671 13.705 10 HG2 MET 2 HG2 MET 2 17.473 20.322 15.066 11 HG3 MET 2 HG3 MET 2 17.374 21.818 14.123 12 HE1 MET 2 HE1 MET 2 14.875 20.016 14.427 13 HE2 MET 2 HE2 MET 2 14.976 21.504 13.457 14 HE3 MET 2 HE3 MET 2 14.286 20.029 12.748 15 H ALA 3 H ALA 3 18.759 22.480 16.882 16 HA ALA 3 HA ALA 3 18.735 25.204 15.655 17 HB1 ALA 3 HB1 ALA 3 16.698 25.537 16.985 18 HB2 ALA 3 HB2 ALA 3 16.534 24.129 15.913 19 HB3 ALA 3 HB3 ALA 3 16.843 23.901 17.649 20 H CYS 4 H CYS 4 18.994 27.031 16.951 21 HA CYS 4 HA CYS 4 20.995 26.752 19.068 22 HB2 CYS 4 HB2 CYS 4 20.851 28.431 17.082 23 HB3 CYS 4 HB3 CYS 4 19.742 29.332 18.089 24 H GLN 5 H GLN 5 19.302 25.487 20.388 25 HA GLN 5 HA GLN 5 17.285 27.205 21.694 26 HB2 GLN 5 HB2 GLN 5 16.469 25.215 20.585 27 HB3 GLN 5 HB3 GLN 5 17.582 24.197 21.487 28 HG2 GLN 5 HG2 GLN 5 15.376 23.917 22.377 29 HG3 GLN 5 HG3 GLN 5 16.351 24.692 23.595 30 HE21 GLN 5 HE21 GLN 5 12.912 26.398 23.071 31 HE22 GLN 5 HE22 GLN 5 13.292 24.677 23.011 32 H PHE 6 H PHE 6 17.017 27.506 23.856 33 HA PHE 6 HA PHE 6 19.316 27.896 25.319 34 HB2 PHE 6 HB2 PHE 6 17.940 28.579 27.139 35 HB3 PHE 6 HB3 PHE 6 17.190 29.085 25.650 36 HD1 PHE 6 HD1 PHE 6 16.875 26.957 28.630 37 HD2 PHE 6 HD2 PHE 6 15.037 28.117 24.912 38 HE1 PHE 6 HE1 PHE 6 14.748 25.906 29.355 39 HE2 PHE 6 HE2 PHE 6 12.912 27.048 25.630 40 HZ PHE 6 HZ PHE 6 12.767 25.953 27.859 41 H TRP 7 H TRP 7 16.967 25.284 26.238 42 HA TRP 7 HA TRP 7 18.730 24.196 28.210 43 HB2 TRP 7 HB2 TRP 7 17.134 22.375 28.332 44 HB3 TRP 7 HB3 TRP 7 16.267 23.894 28.206 45 HD1 TRP 7 HD1 TRP 7 14.613 24.154 26.205 46 HE1 TRP 7 HE1 TRP 7 13.912 22.705 24.195 47 HE3 TRP 7 HE3 TRP 7 17.978 20.314 26.713 48 HZ2 TRP 7 HZ2 TRP 7 14.895 20.389 22.801 49 HZ3 TRP 7 HZ3 TRP 7 18.100 18.526 25.002 50 HH2 TRP 7 HH2 TRP 7 16.575 18.555 23.037 51 H SER 8 H SER 8 18.413 23.578 24.744 52 HA SER 8 HA SER 8 19.831 21.077 24.649 53 HB2 SER 8 HB2 SER 8 18.336 21.947 22.865 54 HB3 SER 8 HB3 SER 8 19.548 23.182 22.469 55 HG SER 8 HG SER 8 20.953 21.613 21.823 56 H CYS 9 H CYS 9 20.887 24.490 24.216 57 HA CYS 9 HA CYS 9 23.689 23.985 24.108 58 HB2 CYS 9 HB2 CYS 9 21.987 26.339 25.027 59 HB3 CYS 9 HB3 CYS 9 23.738 26.389 24.938 60 H ASN 10 H ASN 10 21.509 24.575 26.930 61 HA ASN 10 HA ASN 10 23.509 24.589 28.913 62 HB2 ASN 10 HB2 ASN 10 20.954 25.097 29.041 63 HB3 ASN 10 HB3 ASN 10 20.750 23.373 29.330 64 HD21 ASN 10 HD21 ASN 10 21.549 23.792 32.735 65 HD22 ASN 10 HD22 ASN 10 20.856 22.761 31.499 66 H SER 11 H SER 11 21.614 21.796 27.739 67 HA SER 11 HA SER 11 22.932 19.713 29.138 68 HB2 SER 11 HB2 SER 11 20.830 19.400 27.992 69 HB3 SER 11 HB3 SER 11 21.543 19.822 26.431 70 HG SER 11 HG SER 11 21.221 17.521 27.044 71 H SER 12 H SER 12 23.725 21.188 25.930 72 HA SER 12 HA SER 12 25.843 19.375 25.339 73 HB2 SER 12 HB2 SER 12 24.793 20.814 23.629 74 HB3 SER 12 HB3 SER 12 25.498 22.248 24.403 75 HG SER 12 HG SER 12 26.923 21.700 22.855 76 H CYS 13 H CYS 13 25.924 22.622 26.858 77 HA CYS 13 HA CYS 13 28.751 22.740 27.299 78 HB2 CYS 13 HB2 CYS 13 26.348 24.029 28.617 79 HB3 CYS 13 HB3 CYS 13 27.989 24.414 29.109 80 H ILE 14 H ILE 14 26.125 21.444 29.384 81 HA ILE 14 HA ILE 14 27.835 20.669 31.555 82 HB ILE 14 HB ILE 14 25.036 19.938 30.686 83 HG12 ILE 14 HG12 ILE 14 26.058 21.416 33.161 84 HG13 ILE 14 HG13 ILE 14 25.646 22.237 31.662 85 HG21 ILE 14 HG21 ILE 14 26.513 18.880 33.130 86 HG22 ILE 14 HG22 ILE 14 24.755 18.812 32.908 87 HG23 ILE 14 HG23 ILE 14 25.791 17.939 31.799 88 HD11 ILE 14 HD11 ILE 14 23.313 21.310 31.826 89 HD12 ILE 14 HD12 ILE 14 23.723 20.708 33.450 90 HD13 ILE 14 HD13 ILE 14 23.771 22.442 33.112 91 H SER 15 H SER 15 26.822 18.858 28.621 92 HA SER 15 HA SER 15 28.217 16.451 29.317 93 HB2 SER 15 HB2 SER 15 27.480 17.570 26.600 94 HB3 SER 15 HB3 SER 15 28.031 15.914 26.915 95 HG SER 15 HG SER 15 26.181 15.488 28.024 96 H ARG 16 H ARG 16 29.433 19.403 27.567 97 HA ARG 16 HA ARG 16 32.089 18.335 27.152 98 HB2 ARG 16 HB2 ARG 16 31.169 21.216 27.525 99 HB3 ARG 16 HB3 ARG 16 32.754 20.719 26.959 100 HG2 ARG 16 HG2 ARG 16 30.117 20.370 25.486 101 HG3 ARG 16 HG3 ARG 16 31.404 21.480 25.137 102 HD2 ARG 16 HD2 ARG 16 31.821 19.854 23.560 103 HD3 ARG 16 HD3 ARG 16 32.889 19.313 24.865 104 HE ARG 16 HE ARG 16 30.127 18.232 24.824 105 HH11 ARG 16 HH11 ARG 16 33.356 17.612 23.572 106 HH12 ARG 16 HH12 ARG 16 33.089 15.891 23.522 107 HH21 ARG 16 HH21 ARG 16 29.817 16.050 24.486 108 HH22 ARG 16 HH22 ARG 16 31.152 15.051 23.997 109 H GLY 17 H GLY 17 30.719 20.184 29.891 110 HA2 GLY 17 HA2 GLY 17 31.878 19.157 32.050 111 HA3 GLY 17 HA3 GLY 17 33.300 19.925 31.367 112 H TYR 18 H TYR 18 30.900 22.065 30.573 113 HA TYR 18 HA TYR 18 31.574 23.922 32.729 114 HB2 TYR 18 HB2 TYR 18 29.642 24.146 30.416 115 HB3 TYR 18 HB3 TYR 18 30.116 25.460 31.471 116 HD1 TYR 18 HD1 TYR 18 31.120 23.350 28.632 117 HD2 TYR 18 HD2 TYR 18 32.373 26.474 31.327 118 HE1 TYR 18 HE1 TYR 18 32.959 23.960 27.076 119 HE2 TYR 18 HE2 TYR 18 34.210 27.081 29.764 120 HH TYR 18 HH TYR 18 35.566 25.853 27.852 121 H ARG 19 H ARG 19 29.791 25.127 33.874 122 HA ARG 19 HA ARG 19 27.910 23.202 35.068 123 HB2 ARG 19 HB2 ARG 19 29.320 24.813 36.408 124 HB3 ARG 19 HB3 ARG 19 28.349 26.124 35.750 125 HG2 ARG 19 HG2 ARG 19 27.554 25.638 37.952 126 HG3 ARG 19 HG3 ARG 19 26.317 25.085 36.833 127 HD2 ARG 19 HD2 ARG 19 27.344 22.738 37.041 128 HD3 ARG 19 HD3 ARG 19 28.366 23.379 38.332 129 HE ARG 19 HE ARG 19 25.624 22.553 38.497 130 HH11 ARG 19 HH11 ARG 19 27.903 24.762 40.101 131 HH12 ARG 19 HH12 ARG 19 26.847 24.851 41.483 132 HH21 ARG 19 HH21 ARG 19 24.380 22.869 40.324 133 HH22 ARG 19 HH22 ARG 19 25.051 23.852 41.623 134 H GLN 20 H GLN 20 27.587 26.035 32.944 135 HA GLN 20 HA GLN 20 24.816 25.151 32.368 136 HB2 GLN 20 HB2 GLN 20 25.307 28.099 32.752 137 HB3 GLN 20 HB3 GLN 20 23.797 27.215 32.609 138 HG2 GLN 20 HG2 GLN 20 24.117 26.310 34.891 139 HG3 GLN 20 HG3 GLN 20 25.596 27.272 35.052 140 HE21 GLN 20 HE21 GLN 20 23.047 29.405 36.610 141 HE22 GLN 20 HE22 GLN 20 24.085 28.032 36.978 142 H GLY 21 H GLY 21 23.896 26.416 30.456 143 HA2 GLY 21 HA2 GLY 21 25.716 27.825 28.683 144 HA3 GLY 21 HA3 GLY 21 25.320 26.205 28.101 145 H LYS 22 H LYS 22 24.764 28.670 26.799 146 HA LYS 22 HA LYS 22 21.862 28.390 26.264 147 HB2 LYS 22 HB2 LYS 22 23.061 31.062 27.123 148 HB3 LYS 22 HB3 LYS 22 21.444 30.851 26.484 149 HG2 LYS 22 HG2 LYS 22 22.430 29.684 29.093 150 HG3 LYS 22 HG3 LYS 22 21.504 31.155 28.925 151 HD2 LYS 22 HD2 LYS 22 19.558 30.007 28.162 152 HD3 LYS 22 HD3 LYS 22 20.398 28.469 27.969 153 HE2 LYS 22 HE2 LYS 22 20.384 29.821 30.667 154 HE3 LYS 22 HE3 LYS 22 18.913 29.002 30.136 155 HZ1 LYS 22 HZ1 LYS 22 20.679 27.697 31.450 156 HZ2 LYS 22 HZ2 LYS 22 19.956 26.955 30.180 157 HZ3 LYS 22 HZ3 LYS 22 21.486 27.577 30.030 158 H CYS 23 H CYS 23 21.199 29.980 24.470 159 HA CYS 23 HA CYS 23 23.325 30.267 22.372 160 HB2 CYS 23 HB2 CYS 23 21.495 28.832 21.656 161 HB3 CYS 23 HB3 CYS 23 20.301 29.966 22.280 162 H TRP 24 H TRP 24 23.933 32.426 21.906 163 HA TRP 24 HA TRP 24 22.374 34.610 23.101 164 HB2 TRP 24 HB2 TRP 24 24.888 34.681 21.441 165 HB3 TRP 24 HB3 TRP 24 24.124 36.070 22.205 166 HD1 TRP 24 HD1 TRP 24 23.897 33.419 24.719 167 HE1 TRP 24 HE1 TRP 24 25.797 33.580 26.425 168 HE3 TRP 24 HE3 TRP 24 26.905 36.757 22.263 169 HZ2 TRP 24 HZ2 TRP 24 28.357 34.888 26.649 170 HZ3 TRP 24 HZ3 TRP 24 29.082 37.436 23.255 171 HH2 TRP 24 HH2 TRP 24 29.811 36.509 25.428 172 H GLY 25 H GLY 25 20.891 33.144 21.160 173 HA2 GLY 25 HA2 GLY 25 19.187 33.637 19.749 174 HA3 GLY 25 HA3 GLY 25 19.563 35.340 19.991 175 H ILE 26 H ILE 26 22.172 33.616 18.538 176 HA ILE 26 HA ILE 26 21.837 35.100 16.064 177 HB ILE 26 HB ILE 26 23.964 34.142 15.409 178 HG12 ILE 26 HG12 ILE 26 24.176 32.714 18.080 179 HG13 ILE 26 HG13 ILE 26 23.541 31.903 16.657 180 HG21 ILE 26 HG21 ILE 26 23.827 36.168 16.842 181 HG22 ILE 26 HG22 ILE 26 24.061 35.140 18.271 182 HG23 ILE 26 HG23 ILE 26 25.334 35.269 17.054 183 HD11 ILE 26 HD11 ILE 26 26.306 33.163 16.853 184 HD12 ILE 26 HD12 ILE 26 25.913 31.438 16.883 185 HD13 ILE 26 HD13 ILE 26 25.627 32.376 15.408 186 H GLN 27 H GLN 27 22.220 34.111 13.931 187 HA GLN 27 HA GLN 27 20.127 32.315 13.280 188 HB2 GLN 27 HB2 GLN 27 20.960 34.251 11.981 189 HB3 GLN 27 HB3 GLN 27 22.419 33.357 11.562 190 HG2 GLN 27 HG2 GLN 27 21.281 31.967 10.056 191 HG3 GLN 27 HG3 GLN 27 19.748 32.130 10.908 192 HE21 GLN 27 HE21 GLN 27 18.662 34.968 9.113 193 HE22 GLN 27 HE22 GLN 27 18.332 33.868 10.430 194 H TYR 28 H TYR 28 23.230 31.447 14.375 195 HA TYR 28 HA TYR 28 23.120 28.782 13.041 196 HB2 TYR 28 HB2 TYR 28 25.607 30.158 14.072 197 HB3 TYR 28 HB3 TYR 28 25.507 28.647 13.176 198 HD1 TYR 28 HD1 TYR 28 24.081 28.953 10.825 199 HD2 TYR 28 HD2 TYR 28 26.427 31.974 12.832 200 HE1 TYR 28 HE1 TYR 28 24.287 30.207 8.696 201 HE2 TYR 28 HE2 TYR 28 26.618 33.234 10.687 202 HH TYR 28 HH TYR 28 25.407 31.967 7.621 203 H LYS 29 H LYS 29 23.402 26.952 14.336 204 HA LYS 29 HA LYS 29 22.547 27.132 17.030 205 HB2 LYS 29 HB2 LYS 29 22.520 24.758 17.031 206 HB3 LYS 29 HB3 LYS 29 21.968 25.340 15.464 207 HG2 LYS 29 HG2 LYS 29 24.174 24.851 14.464 208 HG3 LYS 29 HG3 LYS 29 24.792 24.328 16.037 209 HD2 LYS 29 HD2 LYS 29 23.015 22.547 16.085 210 HD3 LYS 29 HD3 LYS 29 22.585 23.013 14.413 211 HE2 LYS 29 HE2 LYS 29 24.850 22.496 13.646 212 HE3 LYS 29 HE3 LYS 29 25.388 22.216 15.300 213 HZ1 LYS 29 HZ1 LYS 29 23.860 20.315 15.415 214 HZ2 LYS 29 HZ2 LYS 29 23.462 20.504 13.819 215 HZ3 LYS 29 HZ3 LYS 29 25.018 20.159 14.264 216 H TYR 30 H TYR 30 25.129 28.453 16.804 217 HA TYR 30 HA TYR 30 27.079 26.802 18.261 218 HB2 TYR 30 HB2 TYR 30 27.784 28.242 16.429 219 HB3 TYR 30 HB3 TYR 30 27.205 29.657 17.291 220 HD1 TYR 30 HD1 TYR 30 29.622 26.788 17.581 221 HD2 TYR 30 HD2 TYR 30 28.616 30.805 18.809 222 HE1 TYR 30 HE1 TYR 30 31.861 27.029 18.653 223 HE2 TYR 30 HE2 TYR 30 30.830 31.019 19.911 224 HH TYR 30 HH TYR 30 33.059 30.082 19.822 225 H CYS 31 H CYS 31 26.624 26.428 20.306 226 HA CYS 31 HA CYS 31 25.311 28.305 22.098 227 HB2 CYS 31 HB2 CYS 31 26.643 25.609 22.516 228 HB3 CYS 31 HB3 CYS 31 25.631 26.427 23.702 229 H GLN 32 H GLN 32 26.151 29.002 24.144 230 HA GLN 32 HA GLN 32 29.104 28.953 24.536 231 HB2 GLN 32 HB2 GLN 32 27.308 31.399 24.624 232 HB3 GLN 32 HB3 GLN 32 28.897 31.335 25.402 233 HG2 GLN 32 HG2 GLN 32 29.963 30.770 23.229 234 HG3 GLN 32 HG3 GLN 32 28.391 30.845 22.425 235 HE21 GLN 32 HE21 GLN 32 28.227 34.408 22.546 236 HE22 GLN 32 HE22 GLN 32 27.310 32.934 22.238 237 H CYS 33 H CYS 33 29.787 29.175 26.742 238 HA CYS 33 HA CYS 33 27.808 27.921 28.581 239 HB2 CYS 33 HB2 CYS 33 30.736 27.251 28.368 240 HB3 CYS 33 HB3 CYS 33 29.482 26.396 29.257 241 H TYR 34 H TYR 34 28.187 28.066 30.796 242 HA TYR 34 HA TYR 34 29.603 30.560 31.688 243 HB2 TYR 34 HB2 TYR 34 26.951 29.494 32.672 244 HB3 TYR 34 HB3 TYR 34 27.764 30.927 33.256 245 HD1 TYR 34 HD1 TYR 34 25.961 29.454 30.364 246 HD2 TYR 34 HD2 TYR 34 27.685 33.020 32.057 247 HE1 TYR 34 HE1 TYR 34 24.885 30.820 28.577 248 HE2 TYR 34 HE2 TYR 34 26.574 34.393 30.297 249 HH TYR 34 HH TYR 34 25.281 34.394 28.464 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 10.469 26.913 14.677 2 H2 GLY 1 H2 GLY 1 10.106 25.565 13.824 3 H3 GLY 1 H3 GLY 1 9.230 26.937 13.585 4 HA2 GLY 1 HA2 GLY 1 10.739 26.620 11.768 5 HA3 GLY 1 HA3 GLY 1 11.140 28.072 12.696 6 H MET 2 H MET 2 13.216 28.302 12.757 7 HA MET 2 HA MET 2 15.095 25.968 12.847 8 HB2 MET 2 HB2 MET 2 15.291 28.658 11.414 9 HB3 MET 2 HB3 MET 2 16.608 27.501 11.552 10 HG2 MET 2 HG2 MET 2 15.725 27.160 9.429 11 HG3 MET 2 HG3 MET 2 15.223 25.782 10.399 12 HE1 MET 2 HE1 MET 2 12.395 29.103 8.774 13 HE2 MET 2 HE2 MET 2 13.509 29.457 10.108 14 HE3 MET 2 HE3 MET 2 14.146 29.040 8.498 15 H ALA 3 H ALA 3 14.004 28.430 14.833 16 HA ALA 3 HA ALA 3 16.381 29.656 15.721 17 HB1 ALA 3 HB1 ALA 3 13.829 29.111 17.283 18 HB2 ALA 3 HB2 ALA 3 15.064 30.327 17.674 19 HB3 ALA 3 HB3 ALA 3 14.106 30.489 16.192 20 H CYS 4 H CYS 4 17.848 29.288 17.335 21 HA CYS 4 HA CYS 4 18.493 26.605 18.053 22 HB2 CYS 4 HB2 CYS 4 20.066 28.548 17.822 23 HB3 CYS 4 HB3 CYS 4 19.409 29.205 19.323 24 H GLN 5 H GLN 5 17.819 25.337 19.736 25 HA GLN 5 HA GLN 5 15.684 26.283 21.453 26 HB2 GLN 5 HB2 GLN 5 15.810 24.006 20.464 27 HB3 GLN 5 HB3 GLN 5 17.228 23.667 21.441 28 HG2 GLN 5 HG2 GLN 5 15.438 22.641 22.582 29 HG3 GLN 5 HG3 GLN 5 15.734 24.104 23.511 30 HE21 GLN 5 HE21 GLN 5 12.078 23.482 21.977 31 HE22 GLN 5 HE22 GLN 5 13.317 22.229 22.021 32 H PHE 6 H PHE 6 16.227 27.780 22.928 33 HA PHE 6 HA PHE 6 18.643 28.398 23.963 34 HB2 PHE 6 HB2 PHE 6 17.477 29.759 25.605 35 HB3 PHE 6 HB3 PHE 6 16.698 29.837 24.039 36 HD1 PHE 6 HD1 PHE 6 16.369 28.615 27.529 37 HD2 PHE 6 HD2 PHE 6 14.419 28.991 23.695 38 HE1 PHE 6 HE1 PHE 6 14.192 28.031 28.574 39 HE2 PHE 6 HE2 PHE 6 12.254 28.394 24.746 40 HZ PHE 6 HZ PHE 6 12.136 27.919 27.187 41 H TRP 7 H TRP 7 16.492 26.040 25.569 42 HA TRP 7 HA TRP 7 18.278 25.764 27.885 43 HB2 TRP 7 HB2 TRP 7 16.621 24.137 28.633 44 HB3 TRP 7 HB3 TRP 7 15.862 25.634 28.147 45 HD1 TRP 7 HD1 TRP 7 13.919 25.469 26.494 46 HE1 TRP 7 HE1 TRP 7 12.768 23.582 25.163 47 HE3 TRP 7 HE3 TRP 7 17.244 21.637 27.363 48 HZ2 TRP 7 HZ2 TRP 7 13.374 20.915 24.315 49 HZ3 TRP 7 HZ3 TRP 7 16.966 19.473 26.204 50 HH2 TRP 7 HH2 TRP 7 15.036 19.090 24.680 51 H SER 8 H SER 8 18.232 24.369 24.754 52 HA SER 8 HA SER 8 18.855 21.630 25.460 53 HB2 SER 8 HB2 SER 8 17.552 22.401 23.509 54 HB3 SER 8 HB3 SER 8 19.031 23.073 22.795 55 HG SER 8 HG SER 8 18.193 20.870 22.239 56 H CYS 9 H CYS 9 20.863 24.367 24.338 57 HA CYS 9 HA CYS 9 23.304 23.067 23.857 58 HB2 CYS 9 HB2 CYS 9 22.570 25.770 25.050 59 HB3 CYS 9 HB3 CYS 9 24.201 25.335 24.602 60 H ASN 10 H ASN 10 21.828 23.941 26.905 61 HA ASN 10 HA ASN 10 23.911 23.923 28.723 62 HB2 ASN 10 HB2 ASN 10 21.412 24.489 28.958 63 HB3 ASN 10 HB3 ASN 10 21.140 22.777 29.211 64 HD21 ASN 10 HD21 ASN 10 21.999 23.031 32.598 65 HD22 ASN 10 HD22 ASN 10 21.280 22.085 31.291 66 H SER 11 H SER 11 22.093 20.994 27.617 67 HA SER 11 HA SER 11 23.316 19.210 29.441 68 HB2 SER 11 HB2 SER 11 22.230 18.508 26.692 69 HB3 SER 11 HB3 SER 11 22.329 17.463 28.124 70 HG SER 11 HG SER 11 20.236 18.517 27.627 71 H SER 12 H SER 12 24.333 20.099 26.125 72 HA SER 12 HA SER 12 26.636 18.327 26.080 73 HB2 SER 12 HB2 SER 12 26.026 20.838 24.475 74 HB3 SER 12 HB3 SER 12 27.382 19.734 24.181 75 HG SER 12 HG SER 12 24.593 19.097 24.083 76 H CYS 13 H CYS 13 26.243 21.833 26.947 77 HA CYS 13 HA CYS 13 29.016 22.273 27.505 78 HB2 CYS 13 HB2 CYS 13 26.505 23.562 28.598 79 HB3 CYS 13 HB3 CYS 13 28.119 24.136 28.970 80 H ILE 14 H ILE 14 26.419 21.015 29.666 81 HA ILE 14 HA ILE 14 28.098 20.698 31.979 82 HB ILE 14 HB ILE 14 25.501 19.427 31.076 83 HG12 ILE 14 HG12 ILE 14 26.188 21.341 33.360 84 HG13 ILE 14 HG13 ILE 14 25.606 21.862 31.787 85 HG21 ILE 14 HG21 ILE 14 26.943 18.926 33.720 86 HG22 ILE 14 HG22 ILE 14 25.280 18.428 33.343 87 HG23 ILE 14 HG23 ILE 14 26.607 17.715 32.460 88 HD11 ILE 14 HD11 ILE 14 23.496 20.570 32.150 89 HD12 ILE 14 HD12 ILE 14 24.045 20.211 33.807 90 HD13 ILE 14 HD13 ILE 14 23.768 21.883 33.318 91 H SER 15 H SER 15 27.511 18.506 29.164 92 HA SER 15 HA SER 15 29.212 16.412 30.151 93 HB2 SER 15 HB2 SER 15 28.445 17.158 27.318 94 HB3 SER 15 HB3 SER 15 29.336 15.693 27.784 95 HG SER 15 HG SER 15 27.084 15.388 27.610 96 H ARG 16 H ARG 16 30.048 19.312 28.146 97 HA ARG 16 HA ARG 16 32.866 18.714 27.967 98 HB2 ARG 16 HB2 ARG 16 31.490 21.422 28.164 99 HB3 ARG 16 HB3 ARG 16 33.138 21.142 27.624 100 HG2 ARG 16 HG2 ARG 16 30.560 20.455 26.176 101 HG3 ARG 16 HG3 ARG 16 31.765 21.628 25.764 102 HD2 ARG 16 HD2 ARG 16 32.304 19.937 24.289 103 HD3 ARG 16 HD3 ARG 16 33.389 19.545 25.629 104 HE ARG 16 HE ARG 16 30.658 18.320 25.411 105 HH11 ARG 16 HH11 ARG 16 34.152 17.637 25.472 106 HH12 ARG 16 HH12 ARG 16 33.804 15.919 25.587 107 HH21 ARG 16 HH21 ARG 16 30.430 16.220 25.371 108 HH22 ARG 16 HH22 ARG 16 31.832 15.149 25.521 109 H GLY 17 H GLY 17 30.947 20.158 30.532 110 HA2 GLY 17 HA2 GLY 17 31.770 19.419 32.771 111 HA3 GLY 17 HA3 GLY 17 33.325 20.139 32.360 112 H TYR 18 H TYR 18 30.814 22.169 31.229 113 HA TYR 18 HA TYR 18 31.512 24.220 33.205 114 HB2 TYR 18 HB2 TYR 18 29.604 24.208 30.834 115 HB3 TYR 18 HB3 TYR 18 29.980 25.612 31.804 116 HD1 TYR 18 HD1 TYR 18 31.179 23.413 29.133 117 HD2 TYR 18 HD2 TYR 18 32.187 26.710 31.717 118 HE1 TYR 18 HE1 TYR 18 33.006 24.087 27.565 119 HE2 TYR 18 HE2 TYR 18 34.008 27.369 30.164 120 HH TYR 18 HH TYR 18 35.249 26.712 28.285 121 H ARG 19 H ARG 19 29.792 25.534 34.230 122 HA ARG 19 HA ARG 19 27.758 23.945 35.567 123 HB2 ARG 19 HB2 ARG 19 29.046 25.968 36.490 124 HB3 ARG 19 HB3 ARG 19 28.089 26.971 35.420 125 HG2 ARG 19 HG2 ARG 19 27.099 27.152 37.564 126 HG3 ARG 19 HG3 ARG 19 26.000 26.166 36.613 127 HD2 ARG 19 HD2 ARG 19 26.200 25.259 38.836 128 HD3 ARG 19 HD3 ARG 19 26.918 24.114 37.703 129 HE ARG 19 HE ARG 19 29.141 25.406 38.397 130 HH11 ARG 19 HH11 ARG 19 26.621 24.546 40.725 131 HH12 ARG 19 HH12 ARG 19 27.819 24.238 41.957 132 HH21 ARG 19 HH21 ARG 19 30.468 25.111 39.929 133 HH22 ARG 19 HH22 ARG 19 29.997 24.562 41.527 134 H GLN 20 H GLN 20 27.752 26.277 32.888 135 HA GLN 20 HA GLN 20 24.855 25.733 32.334 136 HB2 GLN 20 HB2 GLN 20 26.389 28.343 32.410 137 HB3 GLN 20 HB3 GLN 20 24.753 28.207 31.768 138 HG2 GLN 20 HG2 GLN 20 23.827 27.717 33.887 139 HG3 GLN 20 HG3 GLN 20 25.397 27.435 34.636 140 HE21 GLN 20 HE21 GLN 20 24.257 30.758 35.747 141 HE22 GLN 20 HE22 GLN 20 23.633 29.105 35.833 142 H GLY 21 H GLY 21 24.116 26.075 30.245 143 HA2 GLY 21 HA2 GLY 21 25.959 26.997 28.122 144 HA3 GLY 21 HA3 GLY 21 25.211 25.415 27.897 145 H LYS 22 H LYS 22 24.981 28.145 26.573 146 HA LYS 22 HA LYS 22 22.009 28.429 26.387 147 HB2 LYS 22 HB2 LYS 22 24.003 30.691 26.915 148 HB3 LYS 22 HB3 LYS 22 22.309 30.925 26.550 149 HG2 LYS 22 HG2 LYS 22 23.433 29.605 29.041 150 HG3 LYS 22 HG3 LYS 22 22.722 31.204 28.921 151 HD2 LYS 22 HD2 LYS 22 21.252 28.575 28.508 152 HD3 LYS 22 HD3 LYS 22 21.178 29.616 29.923 153 HE2 LYS 22 HE2 LYS 22 20.327 31.398 28.177 154 HE3 LYS 22 HE3 LYS 22 20.037 29.995 27.141 155 HZ1 LYS 22 HZ1 LYS 22 18.942 30.404 29.865 156 HZ2 LYS 22 HZ2 LYS 22 18.077 30.562 28.481 157 HZ3 LYS 22 HZ3 LYS 22 18.646 29.080 28.957 158 H CYS 23 H CYS 23 21.617 30.291 24.657 159 HA CYS 23 HA CYS 23 23.461 30.029 22.357 160 HB2 CYS 23 HB2 CYS 23 21.614 28.166 22.547 161 HB3 CYS 23 HB3 CYS 23 20.542 29.412 21.941 162 H TRP 24 H TRP 24 23.364 32.350 23.662 163 HA TRP 24 HA TRP 24 21.198 34.139 22.995 164 HB2 TRP 24 HB2 TRP 24 24.044 34.881 23.728 165 HB3 TRP 24 HB3 TRP 24 22.603 35.858 23.928 166 HD1 TRP 24 HD1 TRP 24 24.943 34.169 25.928 167 HE1 TRP 24 HE1 TRP 24 24.059 33.561 28.270 168 HE3 TRP 24 HE3 TRP 24 19.916 34.615 25.022 169 HZ2 TRP 24 HZ2 TRP 24 21.509 33.352 29.573 170 HZ3 TRP 24 HZ3 TRP 24 18.281 34.164 26.833 171 HH2 TRP 24 HH2 TRP 24 19.067 33.535 29.111 172 H GLY 25 H GLY 25 24.065 33.177 21.246 173 HA2 GLY 25 HA2 GLY 25 24.512 35.502 19.669 174 HA3 GLY 25 HA3 GLY 25 25.096 33.878 19.326 175 H ILE 26 H ILE 26 24.565 35.490 17.276 176 HA ILE 26 HA ILE 26 21.766 35.207 16.373 177 HB ILE 26 HB ILE 26 24.051 36.597 14.949 178 HG12 ILE 26 HG12 ILE 26 23.923 37.674 17.104 179 HG13 ILE 26 HG13 ILE 26 23.240 38.721 15.885 180 HG21 ILE 26 HG21 ILE 26 21.020 36.737 14.685 181 HG22 ILE 26 HG22 ILE 26 22.116 37.926 13.968 182 HG23 ILE 26 HG23 ILE 26 22.204 36.237 13.459 183 HD11 ILE 26 HD11 ILE 26 21.633 37.054 17.877 184 HD12 ILE 26 HD12 ILE 26 21.920 38.798 17.940 185 HD13 ILE 26 HD13 ILE 26 20.941 38.118 16.628 186 H GLN 27 H GLN 27 24.919 33.798 15.577 187 HA GLN 27 HA GLN 27 24.111 32.634 13.076 188 HB2 GLN 27 HB2 GLN 27 26.318 31.841 15.020 189 HB3 GLN 27 HB3 GLN 27 26.031 31.065 13.457 190 HG2 GLN 27 HG2 GLN 27 26.180 33.428 12.428 191 HG3 GLN 27 HG3 GLN 27 26.886 33.936 13.960 192 HE21 GLN 27 HE21 GLN 27 29.561 32.929 11.459 193 HE22 GLN 27 HE22 GLN 27 28.168 34.022 11.371 194 H TYR 28 H TYR 28 23.271 30.649 12.520 195 HA TYR 28 HA TYR 28 21.351 29.590 14.254 196 HB2 TYR 28 HB2 TYR 28 20.820 28.006 12.608 197 HB3 TYR 28 HB3 TYR 28 21.291 29.472 11.776 198 HD1 TYR 28 HD1 TYR 28 23.481 29.543 10.506 199 HD2 TYR 28 HD2 TYR 28 21.963 25.924 12.279 200 HE1 TYR 28 HE1 TYR 28 25.005 28.200 9.079 201 HE2 TYR 28 HE2 TYR 28 23.464 24.582 10.817 202 HH TYR 28 HH TYR 28 25.346 24.694 9.362 203 H LYS 29 H LYS 29 21.119 27.771 15.490 204 HA LYS 29 HA LYS 29 21.776 26.503 17.297 205 HB2 LYS 29 HB2 LYS 29 23.159 25.125 14.983 206 HB3 LYS 29 HB3 LYS 29 22.794 24.369 16.542 207 HG2 LYS 29 HG2 LYS 29 20.419 24.537 16.177 208 HG3 LYS 29 HG3 LYS 29 20.623 25.603 14.796 209 HD2 LYS 29 HD2 LYS 29 20.095 23.484 13.913 210 HD3 LYS 29 HD3 LYS 29 21.803 23.807 13.565 211 HE2 LYS 29 HE2 LYS 29 22.366 22.401 15.638 212 HE3 LYS 29 HE3 LYS 29 20.651 21.987 15.724 213 HZ1 LYS 29 HZ1 LYS 29 22.562 21.331 13.571 214 HZ2 LYS 29 HZ2 LYS 29 21.666 20.269 14.494 215 HZ3 LYS 29 HZ3 LYS 29 20.943 21.193 13.348 216 H TYR 30 H TYR 30 23.546 28.805 17.174 217 HA TYR 30 HA TYR 30 26.253 27.846 17.650 218 HB2 TYR 30 HB2 TYR 30 25.774 29.812 16.284 219 HB3 TYR 30 HB3 TYR 30 25.091 30.635 17.684 220 HD1 TYR 30 HD1 TYR 30 26.515 31.953 19.067 221 HD2 TYR 30 HD2 TYR 30 28.239 29.025 16.427 222 HE1 TYR 30 HE1 TYR 30 28.790 32.837 19.570 223 HE2 TYR 30 HE2 TYR 30 30.506 29.905 16.919 224 HH TYR 30 HH TYR 30 31.586 31.861 17.746 225 H CYS 31 H CYS 31 25.728 26.521 19.572 226 HA CYS 31 HA CYS 31 24.925 27.704 22.033 227 HB2 CYS 31 HB2 CYS 31 26.621 25.247 21.524 228 HB3 CYS 31 HB3 CYS 31 25.905 25.672 23.067 229 H GLN 32 H GLN 32 26.047 28.374 23.832 230 HA GLN 32 HA GLN 32 29.011 28.528 23.831 231 HB2 GLN 32 HB2 GLN 32 27.114 30.863 24.312 232 HB3 GLN 32 HB3 GLN 32 28.804 30.849 24.830 233 HG2 GLN 32 HG2 GLN 32 29.535 30.557 22.475 234 HG3 GLN 32 HG3 GLN 32 27.855 30.589 21.932 235 HE21 GLN 32 HE21 GLN 32 29.626 34.118 23.106 236 HE22 GLN 32 HE22 GLN 32 30.412 32.568 23.464 237 H CYS 33 H CYS 33 29.915 28.502 25.966 238 HA CYS 33 HA CYS 33 28.046 27.417 28.023 239 HB2 CYS 33 HB2 CYS 33 30.928 26.634 27.578 240 HB3 CYS 33 HB3 CYS 33 29.748 25.889 28.665 241 H TYR 34 H TYR 34 28.585 27.726 30.205 242 HA TYR 34 HA TYR 34 30.531 29.891 30.888 243 HB2 TYR 34 HB2 TYR 34 27.620 30.008 31.720 244 HB3 TYR 34 HB3 TYR 34 28.861 31.174 32.072 245 HD1 TYR 34 HD1 TYR 34 29.425 32.908 30.460 246 HD2 TYR 34 HD2 TYR 34 26.756 29.704 29.389 247 HE1 TYR 34 HE1 TYR 34 28.832 34.105 28.353 248 HE2 TYR 34 HE2 TYR 34 26.260 30.837 27.232 249 HH TYR 34 HH TYR 34 27.305 34.145 26.547 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 13.366 24.009 13.433 2 H2 GLY 1 H2 GLY 1 13.209 22.897 14.633 3 H3 GLY 1 H3 GLY 1 14.701 23.416 14.207 4 HA2 GLY 1 HA2 GLY 1 12.587 25.018 15.495 5 HA3 GLY 1 HA3 GLY 1 14.076 24.441 16.271 6 H MET 2 H MET 2 12.663 27.097 14.878 7 HA MET 2 HA MET 2 14.687 28.001 13.050 8 HB2 MET 2 HB2 MET 2 12.279 29.290 14.368 9 HB3 MET 2 HB3 MET 2 13.266 30.139 13.179 10 HG2 MET 2 HG2 MET 2 12.682 28.704 11.421 11 HG3 MET 2 HG3 MET 2 12.163 27.417 12.499 12 HE1 MET 2 HE1 MET 2 11.261 30.892 10.932 13 HE2 MET 2 HE2 MET 2 9.679 31.244 11.679 14 HE3 MET 2 HE3 MET 2 11.156 31.285 12.669 15 H ALA 3 H ALA 3 14.899 28.085 16.412 16 HA ALA 3 HA ALA 3 16.652 30.513 16.466 17 HB1 ALA 3 HB1 ALA 3 14.459 29.632 18.395 18 HB2 ALA 3 HB2 ALA 3 15.518 31.032 18.626 19 HB3 ALA 3 HB3 ALA 3 14.385 31.003 17.269 20 H CYS 4 H CYS 4 17.924 30.622 18.580 21 HA CYS 4 HA CYS 4 19.657 28.539 19.177 22 HB2 CYS 4 HB2 CYS 4 19.924 30.859 19.928 23 HB3 CYS 4 HB3 CYS 4 18.515 30.714 20.962 24 H GLN 5 H GLN 5 19.318 26.485 19.967 25 HA GLN 5 HA GLN 5 16.853 25.849 21.448 26 HB2 GLN 5 HB2 GLN 5 17.694 24.468 19.568 27 HB3 GLN 5 HB3 GLN 5 19.105 24.016 20.532 28 HG2 GLN 5 HG2 GLN 5 17.709 22.802 22.112 29 HG3 GLN 5 HG3 GLN 5 16.253 23.561 21.500 30 HE21 GLN 5 HE21 GLN 5 15.845 21.431 18.701 31 HE22 GLN 5 HE22 GLN 5 15.164 22.655 19.768 32 H PHE 6 H PHE 6 17.460 27.289 23.217 33 HA PHE 6 HA PHE 6 19.787 27.213 24.708 34 HB2 PHE 6 HB2 PHE 6 18.495 28.333 26.495 35 HB3 PHE 6 HB3 PHE 6 18.249 29.015 24.895 36 HD1 PHE 6 HD1 PHE 6 16.666 26.856 27.524 37 HD2 PHE 6 HD2 PHE 6 16.069 29.152 23.923 38 HE1 PHE 6 HE1 PHE 6 14.222 26.560 27.734 39 HE2 PHE 6 HE2 PHE 6 13.618 28.873 24.161 40 HZ PHE 6 HZ PHE 6 12.685 27.553 26.052 41 H TRP 7 H TRP 7 17.057 24.913 25.159 42 HA TRP 7 HA TRP 7 18.138 23.878 27.649 43 HB2 TRP 7 HB2 TRP 7 16.517 22.232 27.554 44 HB3 TRP 7 HB3 TRP 7 15.746 23.590 26.764 45 HD1 TRP 7 HD1 TRP 7 14.827 23.155 24.369 46 HE1 TRP 7 HE1 TRP 7 14.729 21.144 22.771 47 HE3 TRP 7 HE3 TRP 7 17.955 19.957 26.868 48 HZ2 TRP 7 HZ2 TRP 7 15.999 18.583 22.502 49 HZ3 TRP 7 HZ3 TRP 7 18.474 17.724 25.924 50 HH2 TRP 7 HH2 TRP 7 17.498 17.025 23.743 51 H SER 8 H SER 8 18.655 23.073 24.241 52 HA SER 8 HA SER 8 20.315 20.733 24.724 53 HB2 SER 8 HB2 SER 8 19.084 21.022 22.604 54 HB3 SER 8 HB3 SER 8 20.061 22.467 22.240 55 HG SER 8 HG SER 8 20.860 19.764 22.476 56 H CYS 9 H CYS 9 20.944 24.229 24.057 57 HA CYS 9 HA CYS 9 23.752 24.194 24.119 58 HB2 CYS 9 HB2 CYS 9 21.755 26.202 25.258 59 HB3 CYS 9 HB3 CYS 9 23.465 26.478 25.131 60 H ASN 10 H ASN 10 21.514 24.634 26.945 61 HA ASN 10 HA ASN 10 23.554 24.650 28.865 62 HB2 ASN 10 HB2 ASN 10 20.997 25.269 28.943 63 HB3 ASN 10 HB3 ASN 10 20.763 23.599 29.464 64 HD21 ASN 10 HD21 ASN 10 22.083 24.298 32.696 65 HD22 ASN 10 HD22 ASN 10 21.421 23.061 31.628 66 H SER 11 H SER 11 21.571 21.878 27.796 67 HA SER 11 HA SER 11 22.753 19.910 29.490 68 HB2 SER 11 HB2 SER 11 21.484 19.456 26.758 69 HB3 SER 11 HB3 SER 11 21.657 18.289 28.081 70 HG SER 11 HG SER 11 20.022 20.601 27.951 71 H SER 12 H SER 12 23.690 21.004 26.211 72 HA SER 12 HA SER 12 25.771 19.016 25.834 73 HB2 SER 12 HB2 SER 12 25.319 21.707 24.478 74 HB3 SER 12 HB3 SER 12 26.514 20.494 23.992 75 HG SER 12 HG SER 12 23.721 20.424 23.877 76 H CYS 13 H CYS 13 25.847 22.504 26.851 77 HA CYS 13 HA CYS 13 28.652 22.639 27.233 78 HB2 CYS 13 HB2 CYS 13 26.331 24.052 28.578 79 HB3 CYS 13 HB3 CYS 13 28.009 24.500 28.839 80 H ILE 14 H ILE 14 26.092 21.560 29.549 81 HA ILE 14 HA ILE 14 27.858 20.871 31.693 82 HB ILE 14 HB ILE 14 25.121 19.887 30.845 83 HG12 ILE 14 HG12 ILE 14 26.019 21.462 33.307 84 HG13 ILE 14 HG13 ILE 14 25.558 22.244 31.800 85 HG21 ILE 14 HG21 ILE 14 24.943 18.728 33.053 86 HG22 ILE 14 HG22 ILE 14 26.131 17.971 32.017 87 HG23 ILE 14 HG23 ILE 14 26.667 19.031 33.340 88 HD11 ILE 14 HD11 ILE 14 23.737 20.547 33.542 89 HD12 ILE 14 HD12 ILE 14 23.669 22.291 33.263 90 HD13 ILE 14 HD13 ILE 14 23.309 21.175 31.932 91 H SER 15 H SER 15 26.870 18.895 28.827 92 HA SER 15 HA SER 15 28.347 16.562 29.565 93 HB2 SER 15 HB2 SER 15 26.736 16.421 27.779 94 HB3 SER 15 HB3 SER 15 27.574 17.657 26.834 95 HG SER 15 HG SER 15 28.414 15.038 27.444 96 H ARG 16 H ARG 16 29.444 19.482 27.772 97 HA ARG 16 HA ARG 16 32.120 18.401 27.287 98 HB2 ARG 16 HB2 ARG 16 31.134 21.275 27.191 99 HB3 ARG 16 HB3 ARG 16 32.631 20.665 26.497 100 HG2 ARG 16 HG2 ARG 16 29.806 20.024 25.550 101 HG3 ARG 16 HG3 ARG 16 30.987 21.064 24.824 102 HD2 ARG 16 HD2 ARG 16 31.201 19.237 23.500 103 HD3 ARG 16 HD3 ARG 16 32.461 18.860 24.684 104 HE ARG 16 HE ARG 16 30.204 17.623 25.714 105 HH11 ARG 16 HH11 ARG 16 31.642 17.429 22.517 106 HH12 ARG 16 HH12 ARG 16 30.875 15.892 22.184 107 HH21 ARG 16 HH21 ARG 16 29.348 15.628 25.237 108 HH22 ARG 16 HH22 ARG 16 29.827 14.818 23.757 109 H GLY 17 H GLY 17 30.747 19.908 30.029 110 HA2 GLY 17 HA2 GLY 17 32.086 19.271 32.067 111 HA3 GLY 17 HA3 GLY 17 33.464 20.079 31.330 112 H TYR 18 H TYR 18 30.784 21.968 30.681 113 HA TYR 18 HA TYR 18 31.434 23.968 32.744 114 HB2 TYR 18 HB2 TYR 18 29.471 23.963 30.429 115 HB3 TYR 18 HB3 TYR 18 29.855 25.341 31.422 116 HD1 TYR 18 HD1 TYR 18 31.949 26.555 31.208 117 HD2 TYR 18 HD2 TYR 18 31.151 23.110 28.755 118 HE1 TYR 18 HE1 TYR 18 33.814 27.194 29.710 119 HE2 TYR 18 HE2 TYR 18 33.031 23.740 27.266 120 HH TYR 18 HH TYR 18 34.602 25.331 26.782 121 H ARG 19 H ARG 19 29.030 25.160 33.350 122 HA ARG 19 HA ARG 19 27.307 22.999 34.556 123 HB2 ARG 19 HB2 ARG 19 28.233 25.585 35.854 124 HB3 ARG 19 HB3 ARG 19 27.028 24.494 36.532 125 HG2 ARG 19 HG2 ARG 19 29.941 23.755 35.980 126 HG3 ARG 19 HG3 ARG 19 29.275 24.208 37.546 127 HD2 ARG 19 HD2 ARG 19 27.797 22.265 37.554 128 HD3 ARG 19 HD3 ARG 19 28.327 21.786 35.948 129 HE ARG 19 HE ARG 19 29.829 21.569 38.484 130 HH11 ARG 19 HH11 ARG 19 30.012 21.088 34.954 131 HH12 ARG 19 HH12 ARG 19 31.304 19.921 35.160 132 HH21 ARG 19 HH21 ARG 19 31.511 20.015 38.520 133 HH22 ARG 19 HH22 ARG 19 32.062 19.372 36.983 134 H GLN 20 H GLN 20 27.338 26.011 32.824 135 HA GLN 20 HA GLN 20 24.475 25.524 32.215 136 HB2 GLN 20 HB2 GLN 20 25.630 28.212 33.042 137 HB3 GLN 20 HB3 GLN 20 24.054 28.020 32.283 138 HG2 GLN 20 HG2 GLN 20 24.785 26.800 34.980 139 HG3 GLN 20 HG3 GLN 20 24.051 28.371 34.751 140 HE21 GLN 20 HE21 GLN 20 21.662 25.111 34.577 141 HE22 GLN 20 HE22 GLN 20 23.426 24.893 34.570 142 H GLY 21 H GLY 21 23.803 26.808 30.227 143 HA2 GLY 21 HA2 GLY 21 25.780 28.136 28.623 144 HA3 GLY 21 HA3 GLY 21 25.469 26.524 27.984 145 H LYS 22 H LYS 22 24.901 29.287 26.959 146 HA LYS 22 HA LYS 22 22.085 29.045 26.086 147 HB2 LYS 22 HB2 LYS 22 23.001 31.505 27.640 148 HB3 LYS 22 HB3 LYS 22 21.409 31.257 26.935 149 HG2 LYS 22 HG2 LYS 22 22.558 29.704 29.285 150 HG3 LYS 22 HG3 LYS 22 21.447 31.048 29.391 151 HD2 LYS 22 HD2 LYS 22 19.624 29.838 28.516 152 HD3 LYS 22 HD3 LYS 22 20.639 28.551 27.850 153 HE2 LYS 22 HE2 LYS 22 21.337 27.874 30.120 154 HE3 LYS 22 HE3 LYS 22 20.371 29.181 30.821 155 HZ1 LYS 22 HZ1 LYS 22 19.305 26.781 29.414 156 HZ2 LYS 22 HZ2 LYS 22 19.152 27.160 30.983 157 HZ3 LYS 22 HZ3 LYS 22 18.389 28.078 29.843 158 H CYS 23 H CYS 23 21.657 31.415 24.795 159 HA CYS 23 HA CYS 23 24.137 31.916 23.186 160 HB2 CYS 23 HB2 CYS 23 21.241 32.350 22.402 161 HB3 CYS 23 HB3 CYS 23 22.655 32.722 21.428 162 H TRP 24 H TRP 24 25.056 33.906 23.171 163 HA TRP 24 HA TRP 24 23.709 36.183 24.541 164 HB2 TRP 24 HB2 TRP 24 26.419 35.965 23.211 165 HB3 TRP 24 HB3 TRP 24 25.785 37.415 23.974 166 HD1 TRP 24 HD1 TRP 24 28.251 35.111 24.670 167 HE1 TRP 24 HE1 TRP 24 28.739 34.869 27.178 168 HE3 TRP 24 HE3 TRP 24 23.978 37.214 26.548 169 HZ2 TRP 24 HZ2 TRP 24 27.227 35.085 29.646 170 HZ3 TRP 24 HZ3 TRP 24 23.560 37.235 28.983 171 HH2 TRP 24 HH2 TRP 24 25.153 36.146 30.544 172 H GLY 25 H GLY 25 21.901 36.443 23.155 173 HA2 GLY 25 HA2 GLY 25 20.917 37.815 21.481 174 HA3 GLY 25 HA3 GLY 25 22.431 37.844 20.585 175 H ILE 26 H ILE 26 20.817 37.447 18.826 176 HA ILE 26 HA ILE 26 19.644 34.773 18.577 177 HB ILE 26 HB ILE 26 19.783 37.100 16.631 178 HG12 ILE 26 HG12 ILE 26 17.504 36.104 18.411 179 HG13 ILE 26 HG13 ILE 26 18.475 37.541 18.718 180 HG21 ILE 26 HG21 ILE 26 18.114 34.550 16.489 181 HG22 ILE 26 HG22 ILE 26 18.068 35.903 15.341 182 HG23 ILE 26 HG23 ILE 26 19.514 34.918 15.453 183 HD11 ILE 26 HD11 ILE 26 17.682 38.515 16.544 184 HD12 ILE 26 HD12 ILE 26 16.539 37.152 16.423 185 HD13 ILE 26 HD13 ILE 26 16.433 38.277 17.782 186 H GLN 27 H GLN 27 20.982 33.136 18.277 187 HA GLN 27 HA GLN 27 22.620 33.058 15.829 188 HB2 GLN 27 HB2 GLN 27 23.721 32.351 18.583 189 HB3 GLN 27 HB3 GLN 27 24.415 31.801 17.069 190 HG2 GLN 27 HG2 GLN 27 25.752 33.562 17.420 191 HG3 GLN 27 HG3 GLN 27 24.537 34.343 16.417 192 HE21 GLN 27 HE21 GLN 27 24.437 35.281 20.435 193 HE22 GLN 27 HE22 GLN 27 24.794 33.585 20.001 194 H TYR 28 H TYR 28 22.819 31.015 14.960 195 HA TYR 28 HA TYR 28 20.919 28.990 16.060 196 HB2 TYR 28 HB2 TYR 28 21.745 29.096 13.180 197 HB3 TYR 28 HB3 TYR 28 20.274 28.457 13.900 198 HD1 TYR 28 HD1 TYR 28 21.621 31.084 12.013 199 HD2 TYR 28 HD2 TYR 28 18.822 30.383 15.224 200 HE1 TYR 28 HE1 TYR 28 20.530 33.262 11.540 201 HE2 TYR 28 HE2 TYR 28 17.711 32.558 14.729 202 HH TYR 28 HH TYR 28 17.569 34.310 13.225 203 H LYS 29 H LYS 29 21.465 26.918 16.241 204 HA LYS 29 HA LYS 29 22.816 25.110 16.685 205 HB2 LYS 29 HB2 LYS 29 24.127 25.815 14.022 206 HB3 LYS 29 HB3 LYS 29 24.235 24.285 14.871 207 HG2 LYS 29 HG2 LYS 29 22.745 23.769 13.280 208 HG3 LYS 29 HG3 LYS 29 21.682 24.102 14.639 209 HD2 LYS 29 HD2 LYS 29 20.949 26.176 13.658 210 HD3 LYS 29 HD3 LYS 29 22.299 26.187 12.499 211 HE2 LYS 29 HE2 LYS 29 21.405 24.133 11.436 212 HE3 LYS 29 HE3 LYS 29 20.039 24.128 12.552 213 HZ1 LYS 29 HZ1 LYS 29 20.600 26.378 10.678 214 HZ2 LYS 29 HZ2 LYS 29 19.617 25.140 10.301 215 HZ3 LYS 29 HZ3 LYS 29 19.225 26.149 11.531 216 H TYR 30 H TYR 30 23.797 27.604 17.860 217 HA TYR 30 HA TYR 30 26.559 26.792 18.528 218 HB2 TYR 30 HB2 TYR 30 26.789 28.145 16.480 219 HB3 TYR 30 HB3 TYR 30 25.920 29.475 17.248 220 HD1 TYR 30 HD1 TYR 30 28.988 27.347 17.482 221 HD2 TYR 30 HD2 TYR 30 27.131 31.081 18.593 222 HE1 TYR 30 HE1 TYR 30 31.175 28.195 18.320 223 HE2 TYR 30 HE2 TYR 30 29.329 31.928 19.400 224 HH TYR 30 HH TYR 30 31.548 31.391 19.834 225 H CYS 31 H CYS 31 26.996 27.140 20.603 226 HA CYS 31 HA CYS 31 25.292 29.002 22.227 227 HB2 CYS 31 HB2 CYS 31 26.277 26.234 22.965 228 HB3 CYS 31 HB3 CYS 31 25.143 27.228 23.860 229 H GLN 32 H GLN 32 26.227 29.899 24.078 230 HA GLN 32 HA GLN 32 29.171 29.596 24.478 231 HB2 GLN 32 HB2 GLN 32 27.156 31.688 25.404 232 HB3 GLN 32 HB3 GLN 32 28.747 31.486 26.133 233 HG2 GLN 32 HG2 GLN 32 29.314 33.048 24.624 234 HG3 GLN 32 HG3 GLN 32 29.651 31.636 23.652 235 HE21 GLN 32 HE21 GLN 32 27.893 34.067 21.505 236 HE22 GLN 32 HE22 GLN 32 29.435 33.898 22.331 237 H CYS 33 H CYS 33 29.973 29.032 26.509 238 HA CYS 33 HA CYS 33 28.107 27.495 28.265 239 HB2 CYS 33 HB2 CYS 33 30.890 26.672 27.381 240 HB3 CYS 33 HB3 CYS 33 29.802 25.796 28.443 241 H TYR 34 H TYR 34 28.495 27.497 30.402 242 HA TYR 34 HA TYR 34 30.683 29.217 31.490 243 HB2 TYR 34 HB2 TYR 34 27.926 29.323 32.652 244 HB3 TYR 34 HB3 TYR 34 29.209 30.515 32.674 245 HD1 TYR 34 HD1 TYR 34 29.709 31.740 30.387 246 HD2 TYR 34 HD2 TYR 34 26.145 29.460 31.165 247 HE1 TYR 34 HE1 TYR 34 28.562 32.886 28.494 248 HE2 TYR 34 HE2 TYR 34 24.980 30.638 29.300 249 HH TYR 34 HH TYR 34 26.447 33.281 27.503 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 12.953 22.885 15.385 2 H2 GLY 1 H2 GLY 1 12.956 21.278 15.011 3 H3 GLY 1 H3 GLY 1 11.748 22.264 14.466 4 HA2 GLY 1 HA2 GLY 1 13.255 21.769 12.679 5 HA3 GLY 1 HA3 GLY 1 13.263 23.495 13.109 6 H MET 2 H MET 2 15.323 24.165 12.750 7 HA MET 2 HA MET 2 17.578 22.548 13.862 8 HB2 MET 2 HB2 MET 2 17.577 24.515 11.546 9 HB3 MET 2 HB3 MET 2 18.985 23.659 12.164 10 HG2 MET 2 HG2 MET 2 16.560 22.467 10.807 11 HG3 MET 2 HG3 MET 2 18.202 22.521 10.204 12 HE1 MET 2 HE1 MET 2 20.004 19.913 12.589 13 HE2 MET 2 HE2 MET 2 20.227 21.161 11.339 14 HE3 MET 2 HE3 MET 2 19.797 21.622 13.004 15 H ALA 3 H ALA 3 15.830 25.123 14.922 16 HA ALA 3 HA ALA 3 17.938 27.000 15.479 17 HB1 ALA 3 HB1 ALA 3 16.283 28.058 16.946 18 HB2 ALA 3 HB2 ALA 3 15.545 27.622 15.392 19 HB3 ALA 3 HB3 ALA 3 15.238 26.632 16.840 20 H CYS 4 H CYS 4 19.120 27.390 17.301 21 HA CYS 4 HA CYS 4 19.662 25.231 19.170 22 HB2 CYS 4 HB2 CYS 4 21.246 26.761 20.156 23 HB3 CYS 4 HB3 CYS 4 21.380 26.823 18.408 24 H GLN 5 H GLN 5 19.175 25.212 21.440 25 HA GLN 5 HA GLN 5 16.885 26.937 22.281 26 HB2 GLN 5 HB2 GLN 5 16.127 24.780 21.159 27 HB3 GLN 5 HB3 GLN 5 16.888 23.913 22.487 28 HG2 GLN 5 HG2 GLN 5 14.571 24.045 22.965 29 HG3 GLN 5 HG3 GLN 5 15.360 25.136 24.091 30 HE21 GLN 5 HE21 GLN 5 12.739 27.387 23.200 31 HE22 GLN 5 HE22 GLN 5 13.161 26.130 24.350 32 H PHE 6 H PHE 6 16.810 27.462 24.393 33 HA PHE 6 HA PHE 6 19.105 27.704 25.766 34 HB2 PHE 6 HB2 PHE 6 17.785 28.514 27.624 35 HB3 PHE 6 HB3 PHE 6 17.110 29.041 26.099 36 HD1 PHE 6 HD1 PHE 6 16.611 26.827 29.044 37 HD2 PHE 6 HD2 PHE 6 14.865 28.389 25.421 38 HE1 PHE 6 HE1 PHE 6 14.386 25.998 29.753 39 HE2 PHE 6 HE2 PHE 6 12.640 27.568 26.157 40 HZ PHE 6 HZ PHE 6 12.399 26.363 28.310 41 H TRP 7 H TRP 7 16.812 25.033 26.549 42 HA TRP 7 HA TRP 7 18.516 23.994 28.664 43 HB2 TRP 7 HB2 TRP 7 16.941 22.166 28.725 44 HB3 TRP 7 HB3 TRP 7 16.079 23.691 28.643 45 HD1 TRP 7 HD1 TRP 7 14.380 24.001 26.711 46 HE1 TRP 7 HE1 TRP 7 13.656 22.651 24.650 47 HE3 TRP 7 HE3 TRP 7 17.840 20.211 26.940 48 HZ2 TRP 7 HZ2 TRP 7 14.604 20.380 23.157 49 HZ3 TRP 7 HZ3 TRP 7 17.952 18.513 25.126 50 HH2 TRP 7 HH2 TRP 7 16.344 18.588 23.238 51 H SER 8 H SER 8 18.401 23.528 25.167 52 HA SER 8 HA SER 8 19.853 20.987 25.209 53 HB2 SER 8 HB2 SER 8 18.242 21.539 23.417 54 HB3 SER 8 HB3 SER 8 19.309 22.851 22.887 55 HG SER 8 HG SER 8 19.961 21.222 21.695 56 H CYS 9 H CYS 9 20.714 24.446 24.520 57 HA CYS 9 HA CYS 9 23.513 23.972 24.217 58 HB2 CYS 9 HB2 CYS 9 21.848 26.334 25.146 59 HB3 CYS 9 HB3 CYS 9 23.600 26.371 25.162 60 H ASN 10 H ASN 10 21.507 24.438 27.183 61 HA ASN 10 HA ASN 10 23.641 24.295 29.048 62 HB2 ASN 10 HB2 ASN 10 21.195 24.945 29.413 63 HB3 ASN 10 HB3 ASN 10 20.818 23.222 29.444 64 HD21 ASN 10 HD21 ASN 10 21.165 23.890 32.931 65 HD22 ASN 10 HD22 ASN 10 19.966 23.891 31.645 66 H SER 11 H SER 11 21.612 21.582 27.787 67 HA SER 11 HA SER 11 23.000 19.421 28.948 68 HB2 SER 11 HB2 SER 11 20.838 19.236 27.782 69 HB3 SER 11 HB3 SER 11 21.624 19.599 26.237 70 HG SER 11 HG SER 11 21.540 17.427 26.261 71 H SER 12 H SER 12 23.787 21.203 25.968 72 HA SER 12 HA SER 12 25.961 19.502 25.102 73 HB2 SER 12 HB2 SER 12 24.755 20.947 23.561 74 HB3 SER 12 HB3 SER 12 25.277 22.392 24.444 75 HG SER 12 HG SER 12 26.463 21.326 22.473 76 H CYS 13 H CYS 13 25.914 22.660 26.839 77 HA CYS 13 HA CYS 13 28.744 22.812 27.222 78 HB2 CYS 13 HB2 CYS 13 26.362 24.023 28.653 79 HB3 CYS 13 HB3 CYS 13 28.020 24.459 29.026 80 H ILE 14 H ILE 14 26.193 21.257 29.202 81 HA ILE 14 HA ILE 14 27.916 20.331 31.299 82 HB ILE 14 HB ILE 14 25.229 19.447 30.231 83 HG12 ILE 14 HG12 ILE 14 25.973 20.720 32.907 84 HG13 ILE 14 HG13 ILE 14 25.580 21.677 31.489 85 HG21 ILE 14 HG21 ILE 14 26.595 18.338 32.716 86 HG22 ILE 14 HG22 ILE 14 24.928 18.017 32.216 87 HG23 ILE 14 HG23 ILE 14 26.252 17.418 31.231 88 HD11 ILE 14 HD11 ILE 14 23.701 19.768 32.922 89 HD12 ILE 14 HD12 ILE 14 23.610 21.531 32.821 90 HD13 ILE 14 HD13 ILE 14 23.336 20.555 31.368 91 H SER 15 H SER 15 27.298 18.939 28.043 92 HA SER 15 HA SER 15 28.704 16.468 28.536 93 HB2 SER 15 HB2 SER 15 27.339 16.692 26.545 94 HB3 SER 15 HB3 SER 15 28.335 18.033 25.958 95 HG SER 15 HG SER 15 29.011 15.311 26.213 96 H ARG 16 H ARG 16 29.857 19.635 27.286 97 HA ARG 16 HA ARG 16 32.667 18.930 27.200 98 HB2 ARG 16 HB2 ARG 16 31.415 21.677 27.574 99 HB3 ARG 16 HB3 ARG 16 33.047 21.332 27.032 100 HG2 ARG 16 HG2 ARG 16 30.461 20.839 25.495 101 HG3 ARG 16 HG3 ARG 16 31.695 22.039 25.186 102 HD2 ARG 16 HD2 ARG 16 32.198 20.501 23.564 103 HD3 ARG 16 HD3 ARG 16 33.306 20.001 24.847 104 HE ARG 16 HE ARG 16 30.664 18.659 24.798 105 HH11 ARG 16 HH11 ARG 16 33.788 18.510 23.234 106 HH12 ARG 16 HH12 ARG 16 33.649 16.781 22.986 107 HH21 ARG 16 HH21 ARG 16 30.690 16.425 24.688 108 HH22 ARG 16 HH22 ARG 16 32.052 15.632 23.948 109 H GLY 17 H GLY 17 30.620 20.231 29.757 110 HA2 GLY 17 HA2 GLY 17 31.069 19.236 31.961 111 HA3 GLY 17 HA3 GLY 17 32.758 19.661 31.782 112 H TYR 18 H TYR 18 30.770 22.188 30.630 113 HA TYR 18 HA TYR 18 31.194 23.917 32.977 114 HB2 TYR 18 HB2 TYR 18 29.518 24.373 30.503 115 HB3 TYR 18 HB3 TYR 18 30.045 25.591 31.649 116 HD1 TYR 18 HD1 TYR 18 30.880 23.755 28.640 117 HD2 TYR 18 HD2 TYR 18 32.532 26.137 31.834 118 HE1 TYR 18 HE1 TYR 18 32.839 24.310 27.206 119 HE2 TYR 18 HE2 TYR 18 34.523 26.636 30.412 120 HH TYR 18 HH TYR 18 34.909 25.310 27.130 121 H ARG 19 H ARG 19 29.142 25.144 33.799 122 HA ARG 19 HA ARG 19 27.127 23.038 34.504 123 HB2 ARG 19 HB2 ARG 19 28.190 25.427 36.024 124 HB3 ARG 19 HB3 ARG 19 26.843 24.426 36.590 125 HG2 ARG 19 HG2 ARG 19 28.193 22.450 36.696 126 HG3 ARG 19 HG3 ARG 19 29.533 23.197 35.818 127 HD2 ARG 19 HD2 ARG 19 29.907 24.759 37.655 128 HD3 ARG 19 HD3 ARG 19 28.618 23.964 38.600 129 HE ARG 19 HE ARG 19 30.274 21.885 37.882 130 HH11 ARG 19 HH11 ARG 19 30.840 24.858 39.689 131 HH12 ARG 19 HH12 ARG 19 32.171 24.116 40.578 132 HH21 ARG 19 HH21 ARG 19 31.938 21.067 39.141 133 HH22 ARG 19 HH22 ARG 19 32.728 22.127 40.300 134 H GLN 20 H GLN 20 27.256 26.131 32.955 135 HA GLN 20 HA GLN 20 24.383 25.784 32.310 136 HB2 GLN 20 HB2 GLN 20 25.701 28.145 33.522 137 HB3 GLN 20 HB3 GLN 20 24.765 28.532 32.089 138 HG2 GLN 20 HG2 GLN 20 23.658 26.865 34.371 139 HG3 GLN 20 HG3 GLN 20 23.533 28.621 34.302 140 HE21 GLN 20 HE21 GLN 20 20.302 27.654 32.967 141 HE22 GLN 20 HE22 GLN 20 21.178 27.828 34.492 142 H GLY 21 H GLY 21 23.724 26.813 30.328 143 HA2 GLY 21 HA2 GLY 21 25.715 27.588 28.350 144 HA3 GLY 21 HA3 GLY 21 25.028 25.989 28.046 145 H LYS 22 H LYS 22 24.844 28.779 26.745 146 HA LYS 22 HA LYS 22 21.951 28.709 26.056 147 HB2 LYS 22 HB2 LYS 22 23.393 31.156 27.180 148 HB3 LYS 22 HB3 LYS 22 21.830 31.228 26.387 149 HG2 LYS 22 HG2 LYS 22 22.365 29.673 28.956 150 HG3 LYS 22 HG3 LYS 22 21.719 31.301 28.878 151 HD2 LYS 22 HD2 LYS 22 19.702 30.644 27.870 152 HD3 LYS 22 HD3 LYS 22 20.303 29.063 27.392 153 HE2 LYS 22 HE2 LYS 22 19.971 29.863 30.310 154 HE3 LYS 22 HE3 LYS 22 18.680 29.150 29.354 155 HZ1 LYS 22 HZ1 LYS 22 21.161 27.875 30.249 156 HZ2 LYS 22 HZ2 LYS 22 19.636 27.272 30.226 157 HZ3 LYS 22 HZ3 LYS 22 20.512 27.357 28.841 158 H CYS 23 H CYS 23 21.478 30.264 24.227 159 HA CYS 23 HA CYS 23 23.863 30.971 22.609 160 HB2 CYS 23 HB2 CYS 23 22.822 30.269 20.557 161 HB3 CYS 23 HB3 CYS 23 23.038 28.889 21.615 162 H TRP 24 H TRP 24 23.563 32.758 21.218 163 HA TRP 24 HA TRP 24 21.239 34.524 21.922 164 HB2 TRP 24 HB2 TRP 24 24.045 35.499 21.407 165 HB3 TRP 24 HB3 TRP 24 22.692 36.371 22.111 166 HD1 TRP 24 HD1 TRP 24 25.749 34.640 23.039 167 HE1 TRP 24 HE1 TRP 24 25.878 34.064 25.546 168 HE3 TRP 24 HE3 TRP 24 20.877 35.552 24.327 169 HZ2 TRP 24 HZ2 TRP 24 24.103 33.998 27.795 170 HZ3 TRP 24 HZ3 TRP 24 20.123 35.214 26.668 171 HH2 TRP 24 HH2 TRP 24 21.715 34.436 28.404 172 H GLY 25 H GLY 25 20.728 36.251 20.361 173 HA2 GLY 25 HA2 GLY 25 20.204 35.133 17.826 174 HA3 GLY 25 HA3 GLY 25 19.958 36.813 18.290 175 H ILE 26 H ILE 26 23.154 36.665 18.694 176 HA ILE 26 HA ILE 26 23.819 38.061 16.301 177 HB ILE 26 HB ILE 26 25.593 36.727 18.378 178 HG12 ILE 26 HG12 ILE 26 24.145 38.403 19.406 179 HG13 ILE 26 HG13 ILE 26 25.822 38.903 19.421 180 HG21 ILE 26 HG21 ILE 26 26.344 38.737 16.231 181 HG22 ILE 26 HG22 ILE 26 27.343 38.373 17.657 182 HG23 ILE 26 HG23 ILE 26 27.003 37.106 16.485 183 HD11 ILE 26 HD11 ILE 26 23.699 39.951 17.494 184 HD12 ILE 26 HD12 ILE 26 24.335 40.785 18.918 185 HD13 ILE 26 HD13 ILE 26 25.401 40.471 17.542 186 H GLN 27 H GLN 27 24.104 34.601 17.059 187 HA GLN 27 HA GLN 27 24.931 34.001 14.296 188 HB2 GLN 27 HB2 GLN 27 27.003 34.568 15.551 189 HB3 GLN 27 HB3 GLN 27 26.580 33.381 16.779 190 HG2 GLN 27 HG2 GLN 27 28.321 32.508 15.422 191 HG3 GLN 27 HG3 GLN 27 26.885 31.553 15.117 192 HE21 GLN 27 HE21 GLN 27 28.542 32.235 11.852 193 HE22 GLN 27 HE22 GLN 27 28.977 31.413 13.352 194 H TYR 28 H TYR 28 24.568 31.909 13.629 195 HA TYR 28 HA TYR 28 22.640 30.309 15.160 196 HB2 TYR 28 HB2 TYR 28 22.573 29.000 13.003 197 HB3 TYR 28 HB3 TYR 28 22.092 30.678 12.906 198 HD1 TYR 28 HD1 TYR 28 25.149 28.494 12.393 199 HD2 TYR 28 HD2 TYR 28 22.939 31.997 11.182 200 HE1 TYR 28 HE1 TYR 28 26.802 28.915 10.592 201 HE2 TYR 28 HE2 TYR 28 24.579 32.379 9.342 202 HH TYR 28 HH TYR 28 26.311 31.408 8.142 203 H LYS 29 H LYS 29 22.768 28.000 15.232 204 HA LYS 29 HA LYS 29 23.681 26.106 16.180 205 HB2 LYS 29 HB2 LYS 29 25.284 26.545 13.648 206 HB3 LYS 29 HB3 LYS 29 25.126 24.993 14.472 207 HG2 LYS 29 HG2 LYS 29 22.779 24.859 14.060 208 HG3 LYS 29 HG3 LYS 29 22.685 26.537 13.501 209 HD2 LYS 29 HD2 LYS 29 24.056 26.072 11.582 210 HD3 LYS 29 HD3 LYS 29 24.300 24.387 12.106 211 HE2 LYS 29 HE2 LYS 29 21.861 23.988 11.932 212 HE3 LYS 29 HE3 LYS 29 21.614 25.659 11.392 213 HZ1 LYS 29 HZ1 LYS 29 21.754 24.019 9.550 214 HZ2 LYS 29 HZ2 LYS 29 22.875 25.195 9.416 215 HZ3 LYS 29 HZ3 LYS 29 23.315 23.703 9.955 216 H TYR 30 H TYR 30 24.811 28.187 17.622 217 HA TYR 30 HA TYR 30 27.417 27.030 18.489 218 HB2 TYR 30 HB2 TYR 30 28.187 28.603 16.914 219 HB3 TYR 30 HB3 TYR 30 26.944 29.775 17.329 220 HD1 TYR 30 HD1 TYR 30 29.809 27.991 19.043 221 HD2 TYR 30 HD2 TYR 30 27.602 31.659 18.503 222 HE1 TYR 30 HE1 TYR 30 31.385 29.165 20.562 223 HE2 TYR 30 HE2 TYR 30 29.181 32.828 20.018 224 HH TYR 30 HH TYR 30 32.108 31.268 21.249 225 H CYS 31 H CYS 31 27.157 26.622 20.584 226 HA CYS 31 HA CYS 31 25.485 28.403 22.282 227 HB2 CYS 31 HB2 CYS 31 26.734 25.713 22.843 228 HB3 CYS 31 HB3 CYS 31 25.685 26.597 23.939 229 H GLN 32 H GLN 32 26.272 29.377 24.110 230 HA GLN 32 HA GLN 32 29.224 29.424 24.566 231 HB2 GLN 32 HB2 GLN 32 27.143 31.594 24.913 232 HB3 GLN 32 HB3 GLN 32 28.747 31.666 25.664 233 HG2 GLN 32 HG2 GLN 32 29.874 31.808 23.610 234 HG3 GLN 32 HG3 GLN 32 28.540 31.119 22.687 235 HE21 GLN 32 HE21 GLN 32 28.305 35.125 23.673 236 HE22 GLN 32 HE22 GLN 32 29.200 34.033 24.722 237 H CYS 33 H CYS 33 29.959 29.070 26.609 238 HA CYS 33 HA CYS 33 27.989 27.807 28.454 239 HB2 CYS 33 HB2 CYS 33 30.850 26.996 27.916 240 HB3 CYS 33 HB3 CYS 33 29.653 26.162 28.902 241 H TYR 34 H TYR 34 28.296 27.854 30.592 242 HA TYR 34 HA TYR 34 30.187 29.859 31.753 243 HB2 TYR 34 HB2 TYR 34 27.210 29.730 32.311 244 HB3 TYR 34 HB3 TYR 34 28.350 30.952 32.854 245 HD1 TYR 34 HD1 TYR 34 29.503 32.411 31.057 246 HD2 TYR 34 HD2 TYR 34 26.060 29.965 30.234 247 HE1 TYR 34 HE1 TYR 34 29.070 33.726 29.000 248 HE2 TYR 34 HE2 TYR 34 25.643 31.260 28.145 249 HH TYR 34 HH TYR 34 27.636 34.114 27.284 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 13.989 21.210 14.478 2 H2 GLY 1 H2 GLY 1 12.975 21.722 15.676 3 H3 GLY 1 H3 GLY 1 14.567 21.400 16.010 4 HA2 GLY 1 HA2 GLY 1 13.612 23.536 14.226 5 HA3 GLY 1 HA3 GLY 1 14.109 23.765 15.908 6 H MET 2 H MET 2 15.241 24.359 12.934 7 HA MET 2 HA MET 2 17.886 23.182 13.091 8 HB2 MET 2 HB2 MET 2 18.443 24.648 11.198 9 HB3 MET 2 HB3 MET 2 17.036 23.638 10.980 10 HG2 MET 2 HG2 MET 2 16.380 25.604 9.997 11 HG3 MET 2 HG3 MET 2 15.602 25.694 11.567 12 HE1 MET 2 HE1 MET 2 19.121 28.296 10.030 13 HE2 MET 2 HE2 MET 2 19.294 26.544 10.231 14 HE3 MET 2 HE3 MET 2 18.144 27.190 9.042 15 H ALA 3 H ALA 3 16.633 26.349 14.144 16 HA ALA 3 HA ALA 3 19.221 27.330 14.985 17 HB1 ALA 3 HB1 ALA 3 17.940 29.101 16.053 18 HB2 ALA 3 HB2 ALA 3 17.252 28.778 14.452 19 HB3 ALA 3 HB3 ALA 3 16.442 28.168 15.914 20 H CYS 4 H CYS 4 19.804 27.784 17.200 21 HA CYS 4 HA CYS 4 19.981 25.519 18.885 22 HB2 CYS 4 HB2 CYS 4 21.121 27.035 20.378 23 HB3 CYS 4 HB3 CYS 4 21.584 27.417 18.727 24 H GLN 5 H GLN 5 19.348 25.328 21.140 25 HA GLN 5 HA GLN 5 16.842 26.733 21.928 26 HB2 GLN 5 HB2 GLN 5 16.356 24.448 20.883 27 HB3 GLN 5 HB3 GLN 5 17.202 23.743 22.240 28 HG2 GLN 5 HG2 GLN 5 14.971 23.576 22.841 29 HG3 GLN 5 HG3 GLN 5 15.481 24.994 23.751 30 HE21 GLN 5 HE21 GLN 5 12.173 25.613 21.970 31 HE22 GLN 5 HE22 GLN 5 12.727 24.389 23.098 32 H PHE 6 H PHE 6 16.879 27.445 23.966 33 HA PHE 6 HA PHE 6 19.095 27.788 25.396 34 HB2 PHE 6 HB2 PHE 6 17.676 28.405 27.311 35 HB3 PHE 6 HB3 PHE 6 17.071 29.016 25.786 36 HD1 PHE 6 HD1 PHE 6 14.950 28.197 24.826 37 HD2 PHE 6 HD2 PHE 6 16.430 26.688 28.591 38 HE1 PHE 6 HE1 PHE 6 12.745 27.163 25.286 39 HE2 PHE 6 HE2 PHE 6 14.209 25.691 29.049 40 HZ PHE 6 HZ PHE 6 12.368 25.911 27.400 41 H TRP 7 H TRP 7 16.969 24.958 26.184 42 HA TRP 7 HA TRP 7 18.855 24.058 28.235 43 HB2 TRP 7 HB2 TRP 7 17.359 22.253 28.585 44 HB3 TRP 7 HB3 TRP 7 16.432 23.738 28.414 45 HD1 TRP 7 HD1 TRP 7 14.617 23.803 26.566 46 HE1 TRP 7 HE1 TRP 7 13.775 22.215 24.756 47 HE3 TRP 7 HE3 TRP 7 18.177 20.123 26.985 48 HZ2 TRP 7 HZ2 TRP 7 14.540 19.667 23.615 49 HZ3 TRP 7 HZ3 TRP 7 18.105 18.146 25.492 50 HH2 TRP 7 HH2 TRP 7 16.294 17.900 23.813 51 H SER 8 H SER 8 18.458 23.433 24.793 52 HA SER 8 HA SER 8 19.960 20.963 24.655 53 HB2 SER 8 HB2 SER 8 18.442 21.762 22.872 54 HB3 SER 8 HB3 SER 8 19.536 23.119 22.553 55 HG SER 8 HG SER 8 19.870 20.366 22.076 56 H CYS 9 H CYS 9 20.843 24.447 24.302 57 HA CYS 9 HA CYS 9 23.663 24.068 24.112 58 HB2 CYS 9 HB2 CYS 9 21.909 26.301 25.226 59 HB3 CYS 9 HB3 CYS 9 23.661 26.387 25.148 60 H ASN 10 H ASN 10 21.531 24.358 27.004 61 HA ASN 10 HA ASN 10 23.583 24.343 28.939 62 HB2 ASN 10 HB2 ASN 10 20.993 24.783 29.089 63 HB3 ASN 10 HB3 ASN 10 20.874 23.056 29.431 64 HD21 ASN 10 HD21 ASN 10 21.812 23.612 32.780 65 HD22 ASN 10 HD22 ASN 10 21.245 22.444 31.598 66 H SER 11 H SER 11 21.661 21.506 27.814 67 HA SER 11 HA SER 11 23.145 19.520 29.193 68 HB2 SER 11 HB2 SER 11 20.901 19.229 28.222 69 HB3 SER 11 HB3 SER 11 21.584 19.297 26.590 70 HG SER 11 HG SER 11 22.255 17.305 26.776 71 H SER 12 H SER 12 23.780 21.024 26.022 72 HA SER 12 HA SER 12 25.942 19.274 25.231 73 HB2 SER 12 HB2 SER 12 25.500 22.199 24.488 74 HB3 SER 12 HB3 SER 12 26.540 21.032 23.657 75 HG SER 12 HG SER 12 23.705 21.058 23.862 76 H CYS 13 H CYS 13 25.932 22.503 26.857 77 HA CYS 13 HA CYS 13 28.774 22.566 27.268 78 HB2 CYS 13 HB2 CYS 13 26.445 24.000 28.564 79 HB3 CYS 13 HB3 CYS 13 28.120 24.362 28.954 80 H ILE 14 H ILE 14 26.156 21.238 29.334 81 HA ILE 14 HA ILE 14 27.920 20.484 31.494 82 HB ILE 14 HB ILE 14 25.126 19.707 30.642 83 HG12 ILE 14 HG12 ILE 14 26.074 21.112 33.186 84 HG13 ILE 14 HG13 ILE 14 25.803 22.011 31.700 85 HG21 ILE 14 HG21 ILE 14 25.977 17.709 31.743 86 HG22 ILE 14 HG22 ILE 14 26.653 18.682 33.075 87 HG23 ILE 14 HG23 ILE 14 24.899 18.541 32.849 88 HD11 ILE 14 HD11 ILE 14 23.687 20.406 33.161 89 HD12 ILE 14 HD12 ILE 14 23.842 22.167 33.082 90 HD13 ILE 14 HD13 ILE 14 23.465 21.240 31.611 91 H SER 15 H SER 15 27.052 18.888 28.428 92 HA SER 15 HA SER 15 28.455 16.429 28.990 93 HB2 SER 15 HB2 SER 15 27.930 17.669 26.279 94 HB3 SER 15 HB3 SER 15 28.418 16.007 26.648 95 HG SER 15 HG SER 15 25.981 17.274 27.401 96 H ARG 16 H ARG 16 29.543 19.583 27.673 97 HA ARG 16 HA ARG 16 32.359 18.841 27.508 98 HB2 ARG 16 HB2 ARG 16 31.134 21.605 27.815 99 HB3 ARG 16 HB3 ARG 16 32.766 21.247 27.277 100 HG2 ARG 16 HG2 ARG 16 30.209 20.590 25.729 101 HG3 ARG 16 HG3 ARG 16 31.255 21.970 25.479 102 HD2 ARG 16 HD2 ARG 16 31.798 20.402 23.797 103 HD3 ARG 16 HD3 ARG 16 33.140 20.405 24.954 104 HE ARG 16 HE ARG 16 31.033 18.360 25.350 105 HH11 ARG 16 HH11 ARG 16 34.152 18.893 23.792 106 HH12 ARG 16 HH12 ARG 16 34.526 17.170 23.915 107 HH21 ARG 16 HH21 ARG 16 31.596 16.255 25.231 108 HH22 ARG 16 HH22 ARG 16 33.200 15.791 24.706 109 H GLY 17 H GLY 17 30.383 20.030 30.164 110 HA2 GLY 17 HA2 GLY 17 31.102 19.404 32.416 111 HA3 GLY 17 HA3 GLY 17 32.765 19.779 31.995 112 H TYR 18 H TYR 18 30.452 22.147 30.891 113 HA TYR 18 HA TYR 18 31.216 24.012 33.087 114 HB2 TYR 18 HB2 TYR 18 29.655 24.426 30.527 115 HB3 TYR 18 HB3 TYR 18 29.949 25.671 31.730 116 HD1 TYR 18 HD1 TYR 18 31.631 23.432 29.262 117 HD2 TYR 18 HD2 TYR 18 32.029 26.874 31.821 118 HE1 TYR 18 HE1 TYR 18 33.811 23.971 28.196 119 HE2 TYR 18 HE2 TYR 18 34.187 27.444 30.716 120 HH TYR 18 HH TYR 18 35.667 26.923 29.016 121 H ARG 19 H ARG 19 29.410 25.242 34.146 122 HA ARG 19 HA ARG 19 27.349 23.365 35.072 123 HB2 ARG 19 HB2 ARG 19 28.741 24.879 36.549 124 HB3 ARG 19 HB3 ARG 19 27.875 26.252 35.883 125 HG2 ARG 19 HG2 ARG 19 27.059 25.595 38.089 126 HG3 ARG 19 HG3 ARG 19 25.774 25.451 36.897 127 HD2 ARG 19 HD2 ARG 19 27.463 23.022 37.553 128 HD3 ARG 19 HD3 ARG 19 26.269 23.568 38.729 129 HE ARG 19 HE ARG 19 24.575 23.444 36.825 130 HH11 ARG 19 HH11 ARG 19 27.276 21.162 36.764 131 HH12 ARG 19 HH12 ARG 19 26.280 19.964 35.961 132 HH21 ARG 19 HH21 ARG 19 23.460 21.954 35.945 133 HH22 ARG 19 HH22 ARG 19 24.109 20.378 35.552 134 H GLN 20 H GLN 20 27.413 26.204 32.997 135 HA GLN 20 HA GLN 20 24.555 25.706 32.298 136 HB2 GLN 20 HB2 GLN 20 25.884 28.382 32.830 137 HB3 GLN 20 HB3 GLN 20 24.294 28.210 32.118 138 HG2 GLN 20 HG2 GLN 20 24.995 27.195 34.916 139 HG3 GLN 20 HG3 GLN 20 24.351 28.793 34.567 140 HE21 GLN 20 HE21 GLN 20 21.808 25.582 34.349 141 HE22 GLN 20 HE22 GLN 20 23.550 25.304 34.397 142 H GLY 21 H GLY 21 23.898 26.506 30.199 143 HA2 GLY 21 HA2 GLY 21 25.992 27.332 28.288 144 HA3 GLY 21 HA3 GLY 21 25.181 25.801 27.949 145 H LYS 22 H LYS 22 25.210 28.516 26.565 146 HA LYS 22 HA LYS 22 22.288 28.956 26.191 147 HB2 LYS 22 HB2 LYS 22 23.941 30.486 27.997 148 HB3 LYS 22 HB3 LYS 22 23.671 31.489 26.604 149 HG2 LYS 22 HG2 LYS 22 22.081 32.020 28.251 150 HG3 LYS 22 HG3 LYS 22 21.213 31.254 26.936 151 HD2 LYS 22 HD2 LYS 22 22.118 29.630 29.340 152 HD3 LYS 22 HD3 LYS 22 20.711 30.671 29.472 153 HE2 LYS 22 HE2 LYS 22 19.584 29.499 27.623 154 HE3 LYS 22 HE3 LYS 22 21.001 28.463 27.401 155 HZ1 LYS 22 HZ1 LYS 22 19.173 28.472 29.692 156 HZ2 LYS 22 HZ2 LYS 22 19.647 27.186 28.755 157 HZ3 LYS 22 HZ3 LYS 22 20.674 27.861 29.829 158 H CYS 23 H CYS 23 21.788 30.595 24.553 159 HA CYS 23 HA CYS 23 23.867 31.319 22.602 160 HB2 CYS 23 HB2 CYS 23 22.660 30.449 20.705 161 HB3 CYS 23 HB3 CYS 23 23.068 29.131 21.784 162 H TRP 24 H TRP 24 22.518 32.710 20.718 163 HA TRP 24 HA TRP 24 20.358 34.258 22.062 164 HB2 TRP 24 HB2 TRP 24 21.517 36.375 21.700 165 HB3 TRP 24 HB3 TRP 24 22.369 35.328 22.803 166 HD1 TRP 24 HD1 TRP 24 24.805 34.709 22.278 167 HE1 TRP 24 HE1 TRP 24 26.507 35.399 20.485 168 HE3 TRP 24 HE3 TRP 24 21.636 36.990 18.940 169 HZ2 TRP 24 HZ2 TRP 24 26.487 36.631 17.883 170 HZ3 TRP 24 HZ3 TRP 24 22.511 37.881 16.803 171 HH2 TRP 24 HH2 TRP 24 24.935 37.713 16.259 172 H GLY 25 H GLY 25 21.576 33.114 19.010 173 HA2 GLY 25 HA2 GLY 25 19.385 34.558 17.618 174 HA3 GLY 25 HA3 GLY 25 21.037 34.931 17.143 175 H ILE 26 H ILE 26 19.567 34.228 15.202 176 HA ILE 26 HA ILE 26 19.302 31.365 14.815 177 HB ILE 26 HB ILE 26 17.522 32.859 14.277 178 HG12 ILE 26 HG12 ILE 26 18.344 31.616 11.639 179 HG13 ILE 26 HG13 ILE 26 18.009 30.616 13.051 180 HG21 ILE 26 HG21 ILE 26 17.488 34.335 12.344 181 HG22 ILE 26 HG22 ILE 26 18.786 34.827 13.429 182 HG23 ILE 26 HG23 ILE 26 19.163 33.930 11.945 183 HD11 ILE 26 HD11 ILE 26 16.015 30.821 11.654 184 HD12 ILE 26 HD12 ILE 26 15.742 31.574 13.237 185 HD13 ILE 26 HD13 ILE 26 16.050 32.589 11.810 186 H GLN 27 H GLN 27 21.883 31.679 15.159 187 HA GLN 27 HA GLN 27 23.192 31.232 12.509 188 HB2 GLN 27 HB2 GLN 27 24.408 31.187 15.304 189 HB3 GLN 27 HB3 GLN 27 25.249 31.082 13.760 190 HG2 GLN 27 HG2 GLN 27 25.624 33.259 14.262 191 HG3 GLN 27 HG3 GLN 27 24.222 33.400 13.211 192 HE21 GLN 27 HE21 GLN 27 23.421 35.658 15.928 193 HE22 GLN 27 HE22 GLN 27 24.178 35.596 14.332 194 H TYR 28 H TYR 28 24.990 29.200 13.265 195 HA TYR 28 HA TYR 28 23.467 26.742 13.205 196 HB2 TYR 28 HB2 TYR 28 26.394 27.200 13.859 197 HB3 TYR 28 HB3 TYR 28 25.655 25.678 13.393 198 HD1 TYR 28 HD1 TYR 28 27.360 28.591 12.184 199 HD2 TYR 28 HD2 TYR 28 24.467 25.590 11.046 200 HE1 TYR 28 HE1 TYR 28 27.791 29.070 9.772 201 HE2 TYR 28 HE2 TYR 28 24.924 26.059 8.649 202 HH TYR 28 HH TYR 28 26.319 27.167 7.143 203 H LYS 29 H LYS 29 23.731 24.965 14.914 204 HA LYS 29 HA LYS 29 22.934 25.941 17.500 205 HB2 LYS 29 HB2 LYS 29 23.593 23.113 16.592 206 HB3 LYS 29 HB3 LYS 29 22.858 23.549 18.144 207 HG2 LYS 29 HG2 LYS 29 20.983 24.676 16.854 208 HG3 LYS 29 HG3 LYS 29 21.640 23.923 15.392 209 HD2 LYS 29 HD2 LYS 29 21.399 21.689 16.432 210 HD3 LYS 29 HD3 LYS 29 20.746 22.450 17.902 211 HE2 LYS 29 HE2 LYS 29 18.933 23.480 16.389 212 HE3 LYS 29 HE3 LYS 29 19.503 22.398 15.118 213 HZ1 LYS 29 HZ1 LYS 29 19.043 20.527 16.675 214 HZ2 LYS 29 HZ2 LYS 29 18.433 21.582 17.763 215 HZ3 LYS 29 HZ3 LYS 29 17.668 21.405 16.328 216 H TYR 30 H TYR 30 25.630 26.798 16.848 217 HA TYR 30 HA TYR 30 27.454 25.646 18.832 218 HB2 TYR 30 HB2 TYR 30 28.310 26.732 16.823 219 HB3 TYR 30 HB3 TYR 30 27.436 28.211 17.202 220 HD1 TYR 30 HD1 TYR 30 28.468 29.919 18.474 221 HD2 TYR 30 HD2 TYR 30 30.152 25.950 18.477 222 HE1 TYR 30 HE1 TYR 30 30.488 30.784 19.610 223 HE2 TYR 30 HE2 TYR 30 32.166 26.816 19.662 224 HH TYR 30 HH TYR 30 32.580 30.292 20.410 225 H CYS 31 H CYS 31 27.756 26.376 20.925 226 HA CYS 31 HA CYS 31 25.880 28.455 22.006 227 HB2 CYS 31 HB2 CYS 31 26.493 25.699 23.115 228 HB3 CYS 31 HB3 CYS 31 25.476 26.902 23.880 229 H GLN 32 H GLN 32 26.567 29.629 23.709 230 HA GLN 32 HA GLN 32 29.402 29.663 24.534 231 HB2 GLN 32 HB2 GLN 32 26.921 31.238 25.396 232 HB3 GLN 32 HB3 GLN 32 28.511 31.435 26.097 233 HG2 GLN 32 HG2 GLN 32 28.410 33.182 24.586 234 HG3 GLN 32 HG3 GLN 32 29.395 31.970 23.783 235 HE21 GLN 32 HE21 GLN 32 27.305 32.409 20.939 236 HE22 GLN 32 HE22 GLN 32 28.956 32.324 21.605 237 H CYS 33 H CYS 33 30.169 28.952 26.561 238 HA CYS 33 HA CYS 33 28.238 27.496 28.322 239 HB2 CYS 33 HB2 CYS 33 31.112 26.737 27.745 240 HB3 CYS 33 HB3 CYS 33 29.969 25.899 28.780 241 H TYR 34 H TYR 34 28.454 27.725 30.495 242 HA TYR 34 HA TYR 34 30.372 29.767 31.543 243 HB2 TYR 34 HB2 TYR 34 27.398 29.769 32.104 244 HB3 TYR 34 HB3 TYR 34 28.583 30.958 32.601 245 HD1 TYR 34 HD1 TYR 34 28.928 32.905 31.258 246 HD2 TYR 34 HD2 TYR 34 26.832 29.526 29.616 247 HE1 TYR 34 HE1 TYR 34 28.170 34.305 29.349 248 HE2 TYR 34 HE2 TYR 34 26.144 30.903 27.670 249 HH TYR 34 HH TYR 34 26.742 34.414 27.521 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 14.382 29.013 11.246 2 H2 GLY 1 H2 GLY 1 12.866 28.731 10.696 3 H3 GLY 1 H3 GLY 1 14.138 28.017 9.938 4 HA2 GLY 1 HA2 GLY 1 13.199 27.491 12.667 5 HA3 GLY 1 HA3 GLY 1 13.014 26.407 11.281 6 H MET 2 H MET 2 14.110 25.489 13.525 7 HA MET 2 HA MET 2 15.791 24.437 14.528 8 HB2 MET 2 HB2 MET 2 17.211 24.418 11.844 9 HB3 MET 2 HB3 MET 2 17.624 23.462 13.264 10 HG2 MET 2 HG2 MET 2 16.465 21.968 11.974 11 HG3 MET 2 HG3 MET 2 15.316 22.462 13.208 12 HE1 MET 2 HE1 MET 2 16.358 22.505 9.455 13 HE2 MET 2 HE2 MET 2 15.113 23.509 8.682 14 HE3 MET 2 HE3 MET 2 16.338 24.265 9.719 15 H ALA 3 H ALA 3 15.775 27.282 14.779 16 HA ALA 3 HA ALA 3 18.522 28.253 15.027 17 HB1 ALA 3 HB1 ALA 3 17.451 30.146 16.137 18 HB2 ALA 3 HB2 ALA 3 16.593 29.753 14.640 19 HB3 ALA 3 HB3 ALA 3 15.907 29.269 16.208 20 H CYS 4 H CYS 4 19.318 29.023 17.153 21 HA CYS 4 HA CYS 4 20.009 26.867 18.743 22 HB2 CYS 4 HB2 CYS 4 21.157 29.065 18.420 23 HB3 CYS 4 HB3 CYS 4 20.043 29.783 19.582 24 H GLN 5 H GLN 5 19.322 25.871 20.561 25 HA GLN 5 HA GLN 5 16.720 26.719 21.769 26 HB2 GLN 5 HB2 GLN 5 16.529 24.763 20.341 27 HB3 GLN 5 HB3 GLN 5 17.859 23.968 21.173 28 HG2 GLN 5 HG2 GLN 5 15.736 23.003 21.837 29 HG3 GLN 5 HG3 GLN 5 16.502 23.762 23.220 30 HE21 GLN 5 HE21 GLN 5 12.772 24.884 22.310 31 HE22 GLN 5 HE22 GLN 5 13.534 23.525 21.494 32 H PHE 6 H PHE 6 16.902 27.418 23.779 33 HA PHE 6 HA PHE 6 19.226 27.678 25.162 34 HB2 PHE 6 HB2 PHE 6 17.909 28.348 27.101 35 HB3 PHE 6 HB3 PHE 6 17.311 29.025 25.604 36 HD1 PHE 6 HD1 PHE 6 16.526 26.759 28.410 37 HD2 PHE 6 HD2 PHE 6 15.111 28.466 24.704 38 HE1 PHE 6 HE1 PHE 6 14.213 26.036 28.945 39 HE2 PHE 6 HE2 PHE 6 12.804 27.765 25.270 40 HZ PHE 6 HZ PHE 6 12.352 26.537 27.380 41 H TRP 7 H TRP 7 16.835 25.148 26.198 42 HA TRP 7 HA TRP 7 18.620 24.192 28.240 43 HB2 TRP 7 HB2 TRP 7 17.001 22.475 28.616 44 HB3 TRP 7 HB3 TRP 7 16.167 23.997 28.347 45 HD1 TRP 7 HD1 TRP 7 14.435 24.084 26.416 46 HE1 TRP 7 HE1 TRP 7 13.505 22.410 24.739 47 HE3 TRP 7 HE3 TRP 7 17.773 20.256 27.164 48 HZ2 TRP 7 HZ2 TRP 7 14.249 19.802 23.670 49 HZ3 TRP 7 HZ3 TRP 7 17.675 18.218 25.758 50 HH2 TRP 7 HH2 TRP 7 15.922 17.977 24.011 51 H SER 8 H SER 8 18.254 23.268 24.844 52 HA SER 8 HA SER 8 19.717 20.765 25.132 53 HB2 SER 8 HB2 SER 8 17.994 21.334 23.350 54 HB3 SER 8 HB3 SER 8 19.267 22.302 22.566 55 HG SER 8 HG SER 8 19.261 20.221 21.748 56 H CYS 9 H CYS 9 20.583 24.129 24.283 57 HA CYS 9 HA CYS 9 23.405 23.626 23.971 58 HB2 CYS 9 HB2 CYS 9 21.590 25.987 24.364 59 HB3 CYS 9 HB3 CYS 9 23.317 26.195 24.668 60 H ASN 10 H ASN 10 21.363 24.449 26.824 61 HA ASN 10 HA ASN 10 23.413 24.552 28.750 62 HB2 ASN 10 HB2 ASN 10 20.818 24.964 28.870 63 HB3 ASN 10 HB3 ASN 10 20.734 23.254 29.309 64 HD21 ASN 10 HD21 ASN 10 21.448 23.998 32.648 65 HD22 ASN 10 HD22 ASN 10 21.020 22.764 31.462 66 H SER 11 H SER 11 21.604 21.660 27.607 67 HA SER 11 HA SER 11 23.075 19.716 29.046 68 HB2 SER 11 HB2 SER 11 20.954 19.249 27.932 69 HB3 SER 11 HB3 SER 11 21.692 19.487 26.340 70 HG SER 11 HG SER 11 22.865 17.667 26.567 71 H SER 12 H SER 12 23.796 21.169 25.842 72 HA SER 12 HA SER 12 25.979 19.459 25.134 73 HB2 SER 12 HB2 SER 12 24.897 20.828 23.482 74 HB3 SER 12 HB3 SER 12 25.268 22.314 24.373 75 HG SER 12 HG SER 12 26.604 21.655 22.490 76 H CYS 13 H CYS 13 25.979 22.701 26.652 77 HA CYS 13 HA CYS 13 28.794 22.809 27.131 78 HB2 CYS 13 HB2 CYS 13 26.443 24.152 28.485 79 HB3 CYS 13 HB3 CYS 13 28.108 24.579 28.810 80 H ILE 14 H ILE 14 26.155 21.621 29.287 81 HA ILE 14 HA ILE 14 27.846 20.909 31.492 82 HB ILE 14 HB ILE 14 25.102 20.050 30.566 83 HG12 ILE 14 HG12 ILE 14 26.017 21.597 33.040 84 HG13 ILE 14 HG13 ILE 14 25.571 22.376 31.527 85 HG21 ILE 14 HG21 ILE 14 26.483 19.107 33.109 86 HG22 ILE 14 HG22 ILE 14 24.773 18.875 32.722 87 HG23 ILE 14 HG23 ILE 14 25.995 18.081 31.745 88 HD11 ILE 14 HD11 ILE 14 23.721 20.762 33.320 89 HD12 ILE 14 HD12 ILE 14 23.692 22.498 32.995 90 HD13 ILE 14 HD13 ILE 14 23.286 21.355 31.697 91 H SER 15 H SER 15 26.923 19.080 28.575 92 HA SER 15 HA SER 15 28.224 16.631 29.321 93 HB2 SER 15 HB2 SER 15 26.474 16.760 27.617 94 HB3 SER 15 HB3 SER 15 27.509 17.751 26.578 95 HG SER 15 HG SER 15 27.342 15.363 26.243 96 H ARG 16 H ARG 16 29.486 19.568 27.644 97 HA ARG 16 HA ARG 16 32.145 18.378 27.299 98 HB2 ARG 16 HB2 ARG 16 31.249 21.285 27.222 99 HB3 ARG 16 HB3 ARG 16 32.812 20.664 26.694 100 HG2 ARG 16 HG2 ARG 16 30.107 20.152 25.397 101 HG3 ARG 16 HG3 ARG 16 31.449 21.070 24.799 102 HD2 ARG 16 HD2 ARG 16 31.619 19.099 23.569 103 HD3 ARG 16 HD3 ARG 16 32.775 18.805 24.876 104 HE ARG 16 HE ARG 16 30.075 17.875 25.488 105 HH11 ARG 16 HH11 ARG 16 32.954 16.849 23.730 106 HH12 ARG 16 HH12 ARG 16 32.452 15.170 23.823 107 HH21 ARG 16 HH21 ARG 16 29.677 15.703 25.749 108 HH22 ARG 16 HH22 ARG 16 30.735 14.539 25.022 109 H GLY 17 H GLY 17 30.601 20.111 29.904 110 HA2 GLY 17 HA2 GLY 17 31.611 19.189 32.054 111 HA3 GLY 17 HA3 GLY 17 33.121 19.927 31.539 112 H TYR 18 H TYR 18 30.664 22.076 30.694 113 HA TYR 18 HA TYR 18 31.396 23.891 32.890 114 HB2 TYR 18 HB2 TYR 18 29.693 24.274 30.408 115 HB3 TYR 18 HB3 TYR 18 30.157 25.545 31.522 116 HD1 TYR 18 HD1 TYR 18 32.529 26.273 31.741 117 HD2 TYR 18 HD2 TYR 18 31.323 23.358 28.793 118 HE1 TYR 18 HE1 TYR 18 34.764 26.451 30.644 119 HE2 TYR 18 HE2 TYR 18 33.551 23.563 27.685 120 HH TYR 18 HH TYR 18 35.808 24.262 28.129 121 H ARG 19 H ARG 19 29.352 25.391 33.641 122 HA ARG 19 HA ARG 19 27.699 23.415 35.144 123 HB2 ARG 19 HB2 ARG 19 28.043 26.361 35.768 124 HB3 ARG 19 HB3 ARG 19 27.327 25.107 36.765 125 HG2 ARG 19 HG2 ARG 19 29.394 25.171 37.758 126 HG3 ARG 19 HG3 ARG 19 29.736 23.967 36.510 127 HD2 ARG 19 HD2 ARG 19 30.461 26.024 35.064 128 HD3 ARG 19 HD3 ARG 19 30.450 26.930 36.572 129 HE ARG 19 HE ARG 19 32.016 24.839 37.260 130 HH11 ARG 19 HH11 ARG 19 32.160 26.723 34.260 131 HH12 ARG 19 HH12 ARG 19 33.857 26.250 34.035 132 HH21 ARG 19 HH21 ARG 19 34.278 24.756 37.023 133 HH22 ARG 19 HH22 ARG 19 34.934 25.242 35.465 134 H GLN 20 H GLN 20 27.365 26.174 32.989 135 HA GLN 20 HA GLN 20 24.630 25.265 32.276 136 HB2 GLN 20 HB2 GLN 20 25.363 28.114 33.081 137 HB3 GLN 20 HB3 GLN 20 23.993 27.743 32.034 138 HG2 GLN 20 HG2 GLN 20 23.064 26.241 33.830 139 HG3 GLN 20 HG3 GLN 20 24.344 26.812 34.895 140 HE21 GLN 20 HE21 GLN 20 22.057 29.323 35.928 141 HE22 GLN 20 HE22 GLN 20 22.972 27.886 36.381 142 H GLY 21 H GLY 21 23.887 26.248 30.238 143 HA2 GLY 21 HA2 GLY 21 25.932 27.395 28.433 144 HA3 GLY 21 HA3 GLY 21 25.116 25.912 27.902 145 H LYS 22 H LYS 22 25.028 28.807 26.926 146 HA LYS 22 HA LYS 22 22.062 29.201 26.858 147 HB2 LYS 22 HB2 LYS 22 23.987 30.761 28.441 148 HB3 LYS 22 HB3 LYS 22 23.263 31.766 27.215 149 HG2 LYS 22 HG2 LYS 22 22.066 31.989 29.255 150 HG3 LYS 22 HG3 LYS 22 21.013 31.276 28.053 151 HD2 LYS 22 HD2 LYS 22 22.476 29.442 29.960 152 HD3 LYS 22 HD3 LYS 22 21.162 30.427 30.596 153 HE2 LYS 22 HE2 LYS 22 19.538 29.474 29.107 154 HE3 LYS 22 HE3 LYS 22 20.779 28.607 28.191 155 HZ1 LYS 22 HZ1 LYS 22 19.631 27.177 29.852 156 HZ2 LYS 22 HZ2 LYS 22 21.248 27.267 30.114 157 HZ3 LYS 22 HZ3 LYS 22 20.191 28.130 31.048 158 H CYS 23 H CYS 23 21.273 30.434 25.189 159 HA CYS 23 HA CYS 23 23.028 30.683 22.794 160 HB2 CYS 23 HB2 CYS 23 20.022 30.838 23.188 161 HB3 CYS 23 HB3 CYS 23 20.828 30.971 21.643 162 H TRP 24 H TRP 24 23.940 32.701 22.456 163 HA TRP 24 HA TRP 24 22.084 34.904 22.144 164 HB2 TRP 24 HB2 TRP 24 23.150 36.553 23.445 165 HB3 TRP 24 HB3 TRP 24 22.634 35.251 24.479 166 HD1 TRP 24 HD1 TRP 24 24.551 33.735 25.591 167 HE1 TRP 24 HE1 TRP 24 26.901 34.375 26.404 168 HE3 TRP 24 HE3 TRP 24 25.285 37.916 22.726 169 HZ2 TRP 24 HZ2 TRP 24 28.845 36.440 25.881 170 HZ3 TRP 24 HZ3 TRP 24 27.370 39.252 22.964 171 HH2 TRP 24 HH2 TRP 24 29.156 38.523 24.543 172 H GLY 25 H GLY 25 22.884 36.653 20.827 173 HA2 GLY 25 HA2 GLY 25 24.133 37.509 19.072 174 HA3 GLY 25 HA3 GLY 25 25.483 36.468 19.528 175 H ILE 26 H ILE 26 25.815 34.582 18.404 176 HA ILE 26 HA ILE 26 24.835 34.373 15.776 177 HB ILE 26 HB ILE 26 26.305 32.366 17.487 178 HG12 ILE 26 HG12 ILE 26 27.280 34.150 15.203 179 HG13 ILE 26 HG13 ILE 26 27.439 34.545 16.908 180 HG21 ILE 26 HG21 ILE 26 25.765 32.250 14.490 181 HG22 ILE 26 HG22 ILE 26 26.867 31.174 15.367 182 HG23 ILE 26 HG23 ILE 26 25.154 31.103 15.713 183 HD11 ILE 26 HD11 ILE 26 29.542 33.705 16.162 184 HD12 ILE 26 HD12 ILE 26 28.835 32.503 17.259 185 HD13 ILE 26 HD13 ILE 26 28.813 32.242 15.497 186 H GLN 27 H GLN 27 23.154 33.369 14.792 187 HA GLN 27 HA GLN 27 20.998 32.574 16.569 188 HB2 GLN 27 HB2 GLN 27 20.777 34.152 14.683 189 HB3 GLN 27 HB3 GLN 27 21.017 32.826 13.542 190 HG2 GLN 27 HG2 GLN 27 18.946 31.745 14.306 191 HG3 GLN 27 HG3 GLN 27 18.817 32.877 15.649 192 HE21 GLN 27 HE21 GLN 27 16.367 34.382 13.528 193 HE22 GLN 27 HE22 GLN 27 16.626 33.251 14.853 194 H TYR 28 H TYR 28 23.128 30.690 14.467 195 HA TYR 28 HA TYR 28 21.574 28.224 15.140 196 HB2 TYR 28 HB2 TYR 28 22.838 28.812 12.451 197 HB3 TYR 28 HB3 TYR 28 21.901 27.397 12.891 198 HD1 TYR 28 HD1 TYR 28 19.444 27.514 13.041 199 HD2 TYR 28 HD2 TYR 28 21.789 30.933 11.929 200 HE1 TYR 28 HE1 TYR 28 17.366 28.712 12.319 201 HE2 TYR 28 HE2 TYR 28 19.742 32.112 11.175 202 HH TYR 28 HH TYR 28 17.545 31.720 10.505 203 H LYS 29 H LYS 29 22.656 26.379 15.474 204 HA LYS 29 HA LYS 29 24.312 24.936 16.066 205 HB2 LYS 29 HB2 LYS 29 25.651 26.155 13.635 206 HB3 LYS 29 HB3 LYS 29 26.066 24.603 14.334 207 HG2 LYS 29 HG2 LYS 29 23.365 25.256 13.085 208 HG3 LYS 29 HG3 LYS 29 24.717 24.449 12.291 209 HD2 LYS 29 HD2 LYS 29 24.606 22.722 14.221 210 HD3 LYS 29 HD3 LYS 29 23.005 23.414 14.570 211 HE2 LYS 29 HE2 LYS 29 22.242 22.891 12.299 212 HE3 LYS 29 HE3 LYS 29 23.875 22.408 11.827 213 HZ1 LYS 29 HZ1 LYS 29 23.704 20.632 13.555 214 HZ2 LYS 29 HZ2 LYS 29 22.090 20.967 13.694 215 HZ3 LYS 29 HZ3 LYS 29 22.716 20.428 12.280 216 H TYR 30 H TYR 30 24.600 27.422 17.540 217 HA TYR 30 HA TYR 30 27.259 26.951 18.630 218 HB2 TYR 30 HB2 TYR 30 27.895 28.449 16.808 219 HB3 TYR 30 HB3 TYR 30 26.637 29.590 17.257 220 HD1 TYR 30 HD1 TYR 30 29.918 28.155 18.251 221 HD2 TYR 30 HD2 TYR 30 26.894 31.100 19.156 222 HE1 TYR 30 HE1 TYR 30 31.458 29.254 19.875 223 HE2 TYR 30 HE2 TYR 30 28.464 32.235 20.700 224 HH TYR 30 HH TYR 30 31.350 30.732 21.811 225 H CYS 31 H CYS 31 27.455 27.641 20.751 226 HA CYS 31 HA CYS 31 25.829 29.686 21.929 227 HB2 CYS 31 HB2 CYS 31 24.776 28.065 23.641 228 HB3 CYS 31 HB3 CYS 31 24.044 28.283 22.070 229 H GLN 32 H GLN 32 26.416 30.273 23.975 230 HA GLN 32 HA GLN 32 29.204 29.775 24.601 231 HB2 GLN 32 HB2 GLN 32 27.140 31.679 25.799 232 HB3 GLN 32 HB3 GLN 32 28.875 31.664 26.154 233 HG2 GLN 32 HG2 GLN 32 28.765 33.361 24.623 234 HG3 GLN 32 HG3 GLN 32 29.218 32.029 23.590 235 HE21 GLN 32 HE21 GLN 32 26.510 33.962 21.897 236 HE22 GLN 32 HE22 GLN 32 28.150 34.340 22.425 237 H CYS 33 H CYS 33 30.092 29.053 26.530 238 HA CYS 33 HA CYS 33 28.278 27.528 28.334 239 HB2 CYS 33 HB2 CYS 33 31.066 26.806 27.420 240 HB3 CYS 33 HB3 CYS 33 30.027 25.858 28.496 241 H TYR 34 H TYR 34 28.461 27.722 30.445 242 HA TYR 34 HA TYR 34 30.600 29.450 31.618 243 HB2 TYR 34 HB2 TYR 34 27.662 29.405 32.236 244 HB3 TYR 34 HB3 TYR 34 28.859 30.450 32.992 245 HD1 TYR 34 HD1 TYR 34 26.835 29.798 29.955 246 HD2 TYR 34 HD2 TYR 34 29.811 32.351 31.759 247 HE1 TYR 34 HE1 TYR 34 26.354 31.557 28.264 248 HE2 TYR 34 HE2 TYR 34 29.312 34.112 30.076 249 HH TYR 34 HH TYR 34 27.536 34.829 28.701 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 14.134 27.926 8.480 2 H2 GLY 1 H2 GLY 1 15.086 26.760 7.789 3 H3 GLY 1 H3 GLY 1 15.265 28.347 7.357 4 HA2 GLY 1 HA2 GLY 1 17.044 27.597 8.815 5 HA3 GLY 1 HA3 GLY 1 16.097 28.943 9.475 6 H MET 2 H MET 2 17.554 27.378 11.184 7 HA MET 2 HA MET 2 15.429 26.302 12.930 8 HB2 MET 2 HB2 MET 2 17.887 24.655 12.184 9 HB3 MET 2 HB3 MET 2 16.814 24.329 13.546 10 HG2 MET 2 HG2 MET 2 14.898 24.126 11.922 11 HG3 MET 2 HG3 MET 2 16.065 24.294 10.607 12 HE1 MET 2 HE1 MET 2 15.563 20.663 13.431 13 HE2 MET 2 HE2 MET 2 16.161 22.206 14.065 14 HE3 MET 2 HE3 MET 2 14.527 22.102 13.367 15 H ALA 3 H ALA 3 15.635 27.446 14.732 16 HA ALA 3 HA ALA 3 18.154 28.677 15.523 17 HB1 ALA 3 HB1 ALA 3 15.452 28.574 16.922 18 HB2 ALA 3 HB2 ALA 3 16.809 29.633 17.343 19 HB3 ALA 3 HB3 ALA 3 15.994 29.827 15.782 20 H CYS 4 H CYS 4 19.416 28.320 17.275 21 HA CYS 4 HA CYS 4 19.641 25.741 18.563 22 HB2 CYS 4 HB2 CYS 4 21.312 27.002 19.961 23 HB3 CYS 4 HB3 CYS 4 21.548 27.140 18.230 24 H GLN 5 H GLN 5 19.225 25.207 20.782 25 HA GLN 5 HA GLN 5 16.883 26.696 21.901 26 HB2 GLN 5 HB2 GLN 5 17.559 23.758 21.955 27 HB3 GLN 5 HB3 GLN 5 16.179 24.468 22.772 28 HG2 GLN 5 HG2 GLN 5 15.051 24.943 20.751 29 HG3 GLN 5 HG3 GLN 5 16.528 24.877 19.784 30 HE21 GLN 5 HE21 GLN 5 14.631 21.357 20.597 31 HE22 GLN 5 HE22 GLN 5 14.117 22.843 21.434 32 H PHE 6 H PHE 6 16.799 27.340 24.003 33 HA PHE 6 HA PHE 6 19.164 27.746 25.379 34 HB2 PHE 6 HB2 PHE 6 17.863 28.616 27.198 35 HB3 PHE 6 HB3 PHE 6 17.156 29.095 25.679 36 HD1 PHE 6 HD1 PHE 6 16.703 27.052 28.739 37 HD2 PHE 6 HD2 PHE 6 14.901 28.364 25.045 38 HE1 PHE 6 HE1 PHE 6 14.497 26.229 29.514 39 HE2 PHE 6 HE2 PHE 6 12.698 27.530 25.822 40 HZ PHE 6 HZ PHE 6 12.495 26.455 28.055 41 H TRP 7 H TRP 7 16.760 25.219 26.293 42 HA TRP 7 HA TRP 7 18.299 24.218 28.505 43 HB2 TRP 7 HB2 TRP 7 16.689 22.431 28.544 44 HB3 TRP 7 HB3 TRP 7 15.839 23.928 28.209 45 HD1 TRP 7 HD1 TRP 7 14.605 24.129 25.881 46 HE1 TRP 7 HE1 TRP 7 14.217 22.593 23.888 47 HE3 TRP 7 HE3 TRP 7 17.618 20.221 27.290 48 HZ2 TRP 7 HZ2 TRP 7 15.111 19.979 22.994 49 HZ3 TRP 7 HZ3 TRP 7 17.880 18.249 25.812 50 HH2 TRP 7 HH2 TRP 7 16.624 18.111 23.668 51 H SER 8 H SER 8 18.285 23.473 25.067 52 HA SER 8 HA SER 8 19.833 21.035 25.185 53 HB2 SER 8 HB2 SER 8 18.343 21.626 23.304 54 HB3 SER 8 HB3 SER 8 19.406 22.995 22.906 55 HG SER 8 HG SER 8 19.832 21.171 21.656 56 H CYS 9 H CYS 9 20.708 24.493 24.454 57 HA CYS 9 HA CYS 9 23.502 24.092 24.360 58 HB2 CYS 9 HB2 CYS 9 21.711 26.417 25.105 59 HB3 CYS 9 HB3 CYS 9 23.455 26.530 25.255 60 H ASN 10 H ASN 10 21.384 24.533 27.244 61 HA ASN 10 HA ASN 10 23.477 24.561 29.152 62 HB2 ASN 10 HB2 ASN 10 20.707 24.679 29.237 63 HB3 ASN 10 HB3 ASN 10 21.003 23.099 29.948 64 HD21 ASN 10 HD21 ASN 10 21.963 24.633 32.991 65 HD22 ASN 10 HD22 ASN 10 21.441 23.138 32.198 66 H SER 11 H SER 11 21.612 21.697 27.976 67 HA SER 11 HA SER 11 23.157 19.728 29.346 68 HB2 SER 11 HB2 SER 11 20.880 19.467 28.248 69 HB3 SER 11 HB3 SER 11 21.719 19.376 26.691 70 HG SER 11 HG SER 11 21.714 17.612 28.878 71 H SER 12 H SER 12 23.612 21.204 26.143 72 HA SER 12 HA SER 12 25.742 19.556 25.199 73 HB2 SER 12 HB2 SER 12 24.325 21.110 23.827 74 HB3 SER 12 HB3 SER 12 25.149 22.484 24.583 75 HG SER 12 HG SER 12 26.110 20.475 22.880 76 H CYS 13 H CYS 13 25.791 22.747 26.880 77 HA CYS 13 HA CYS 13 28.659 22.893 27.075 78 HB2 CYS 13 HB2 CYS 13 26.364 24.235 28.522 79 HB3 CYS 13 HB3 CYS 13 28.044 24.616 28.874 80 H ILE 14 H ILE 14 26.199 21.567 29.344 81 HA ILE 14 HA ILE 14 28.045 20.775 31.393 82 HB ILE 14 HB ILE 14 25.327 19.781 30.513 83 HG12 ILE 14 HG12 ILE 14 26.117 21.191 33.096 84 HG13 ILE 14 HG13 ILE 14 25.751 22.106 31.638 85 HG21 ILE 14 HG21 ILE 14 26.940 18.831 32.908 86 HG22 ILE 14 HG22 ILE 14 25.214 18.504 32.658 87 HG23 ILE 14 HG23 ILE 14 26.392 17.835 31.539 88 HD11 ILE 14 HD11 ILE 14 23.829 20.259 33.092 89 HD12 ILE 14 HD12 ILE 14 23.769 22.022 32.993 90 HD13 ILE 14 HD13 ILE 14 23.487 21.049 31.541 91 H SER 15 H SER 15 27.041 19.117 28.384 92 HA SER 15 HA SER 15 28.582 16.745 28.789 93 HB2 SER 15 HB2 SER 15 27.783 18.001 26.130 94 HB3 SER 15 HB3 SER 15 28.281 16.332 26.423 95 HG SER 15 HG SER 15 25.935 17.654 27.358 96 H ARG 16 H ARG 16 29.501 19.824 27.180 97 HA ARG 16 HA ARG 16 32.257 19.119 26.644 98 HB2 ARG 16 HB2 ARG 16 31.053 21.852 27.263 99 HB3 ARG 16 HB3 ARG 16 32.603 21.571 26.502 100 HG2 ARG 16 HG2 ARG 16 29.924 20.859 25.230 101 HG3 ARG 16 HG3 ARG 16 30.797 22.360 24.992 102 HD2 ARG 16 HD2 ARG 16 31.194 20.957 23.113 103 HD3 ARG 16 HD3 ARG 16 32.698 21.103 24.042 104 HE ARG 16 HE ARG 16 31.155 18.760 24.806 105 HH11 ARG 16 HH11 ARG 16 33.126 19.782 22.087 106 HH12 ARG 16 HH12 ARG 16 34.053 18.294 22.113 107 HH21 ARG 16 HH21 ARG 16 32.277 16.783 24.538 108 HH22 ARG 16 HH22 ARG 16 33.740 16.792 23.570 109 H GLY 17 H GLY 17 30.706 20.240 29.592 110 HA2 GLY 17 HA2 GLY 17 31.953 19.174 31.550 111 HA3 GLY 17 HA3 GLY 17 33.337 20.137 31.045 112 H TYR 18 H TYR 18 30.577 22.047 30.630 113 HA TYR 18 HA TYR 18 31.269 23.704 32.973 114 HB2 TYR 18 HB2 TYR 18 29.445 24.114 30.581 115 HB3 TYR 18 HB3 TYR 18 29.783 25.326 31.793 116 HD1 TYR 18 HD1 TYR 18 31.989 26.355 32.042 117 HD2 TYR 18 HD2 TYR 18 31.178 23.531 28.890 118 HE1 TYR 18 HE1 TYR 18 34.029 27.107 30.847 119 HE2 TYR 18 HE2 TYR 18 33.234 24.283 27.691 120 HH TYR 18 HH TYR 18 35.267 26.938 28.946 121 H ARG 19 H ARG 19 28.939 25.002 33.642 122 HA ARG 19 HA ARG 19 27.157 22.832 34.746 123 HB2 ARG 19 HB2 ARG 19 27.999 25.464 36.026 124 HB3 ARG 19 HB3 ARG 19 26.692 24.438 36.600 125 HG2 ARG 19 HG2 ARG 19 28.405 23.800 37.976 126 HG3 ARG 19 HG3 ARG 19 28.436 22.532 36.752 127 HD2 ARG 19 HD2 ARG 19 30.366 23.677 35.655 128 HD3 ARG 19 HD3 ARG 19 30.261 24.976 36.856 129 HE ARG 19 HE ARG 19 30.525 22.401 38.136 130 HH11 ARG 19 HH11 ARG 19 32.469 24.787 36.453 131 HH12 ARG 19 HH12 ARG 19 33.855 24.490 37.500 132 HH21 ARG 19 HH21 ARG 19 32.398 21.884 39.212 133 HH22 ARG 19 HH22 ARG 19 33.890 22.667 38.774 134 H GLN 20 H GLN 20 27.221 25.926 33.072 135 HA GLN 20 HA GLN 20 24.359 25.468 32.381 136 HB2 GLN 20 HB2 GLN 20 25.488 28.198 33.047 137 HB3 GLN 20 HB3 GLN 20 23.836 27.836 32.596 138 HG2 GLN 20 HG2 GLN 20 25.209 26.985 35.190 139 HG3 GLN 20 HG3 GLN 20 24.146 28.361 34.996 140 HE21 GLN 20 HE21 GLN 20 22.134 25.575 36.403 141 HE22 GLN 20 HE22 GLN 20 23.586 26.438 36.917 142 H GLY 21 H GLY 21 23.722 26.802 30.421 143 HA2 GLY 21 HA2 GLY 21 25.696 28.063 28.770 144 HA3 GLY 21 HA3 GLY 21 25.374 26.433 28.173 145 H LYS 22 H LYS 22 24.892 28.909 26.818 146 HA LYS 22 HA LYS 22 22.005 28.716 26.112 147 HB2 LYS 22 HB2 LYS 22 23.293 31.263 27.202 148 HB3 LYS 22 HB3 LYS 22 21.739 31.230 26.384 149 HG2 LYS 22 HG2 LYS 22 22.345 29.839 29.017 150 HG3 LYS 22 HG3 LYS 22 21.519 31.371 28.817 151 HD2 LYS 22 HD2 LYS 22 19.634 30.411 27.764 152 HD3 LYS 22 HD3 LYS 22 20.402 28.840 27.535 153 HE2 LYS 22 HE2 LYS 22 20.094 29.997 30.312 154 HE3 LYS 22 HE3 LYS 22 18.722 29.196 29.536 155 HZ1 LYS 22 HZ1 LYS 22 20.571 27.872 30.938 156 HZ2 LYS 22 HZ2 LYS 22 19.694 27.174 29.777 157 HZ3 LYS 22 HZ3 LYS 22 21.217 27.698 29.438 158 H CYS 23 H CYS 23 21.510 30.497 24.320 159 HA CYS 23 HA CYS 23 23.915 31.109 22.714 160 HB2 CYS 23 HB2 CYS 23 23.049 30.325 20.680 161 HB3 CYS 23 HB3 CYS 23 23.027 28.985 21.798 162 H TRP 24 H TRP 24 23.560 32.733 21.042 163 HA TRP 24 HA TRP 24 22.107 34.964 22.182 164 HB2 TRP 24 HB2 TRP 24 23.824 34.766 19.691 165 HB3 TRP 24 HB3 TRP 24 23.301 36.245 20.492 166 HD1 TRP 24 HD1 TRP 24 24.050 35.025 23.505 167 HE1 TRP 24 HE1 TRP 24 26.480 35.362 24.228 168 HE3 TRP 24 HE3 TRP 24 26.184 35.695 18.899 169 HZ2 TRP 24 HZ2 TRP 24 29.049 35.743 22.973 170 HZ3 TRP 24 HZ3 TRP 24 28.635 36.092 18.701 171 HH2 TRP 24 HH2 TRP 24 30.071 36.093 20.724 172 H GLY 25 H GLY 25 20.033 33.463 21.616 173 HA2 GLY 25 HA2 GLY 25 17.888 33.850 20.840 174 HA3 GLY 25 HA3 GLY 25 18.490 35.201 19.893 175 H ILE 26 H ILE 26 17.652 34.883 17.901 176 HA ILE 26 HA ILE 26 17.269 32.241 16.724 177 HB ILE 26 HB ILE 26 16.864 34.972 15.469 178 HG12 ILE 26 HG12 ILE 26 15.480 34.893 17.450 179 HG13 ILE 26 HG13 ILE 26 14.494 34.752 16.017 180 HG21 ILE 26 HG21 ILE 26 15.259 33.754 13.991 181 HG22 ILE 26 HG22 ILE 26 16.917 33.213 13.766 182 HG23 ILE 26 HG23 ILE 26 15.793 32.218 14.702 183 HD11 ILE 26 HD11 ILE 26 13.692 33.277 17.788 184 HD12 ILE 26 HD12 ILE 26 14.231 32.310 16.410 185 HD13 ILE 26 HD13 ILE 26 15.251 32.446 17.864 186 H GLN 27 H GLN 27 19.522 31.641 16.927 187 HA GLN 27 HA GLN 27 21.142 32.364 14.518 188 HB2 GLN 27 HB2 GLN 27 22.103 32.132 17.397 189 HB3 GLN 27 HB3 GLN 27 23.162 32.265 15.999 190 HG2 GLN 27 HG2 GLN 27 21.152 34.359 16.856 191 HG3 GLN 27 HG3 GLN 27 22.886 34.416 17.165 192 HE21 GLN 27 HE21 GLN 27 22.001 36.502 14.110 193 HE22 GLN 27 HE22 GLN 27 21.195 36.341 15.681 194 H TYR 28 H TYR 28 23.190 30.791 14.627 195 HA TYR 28 HA TYR 28 22.177 28.232 13.804 196 HB2 TYR 28 HB2 TYR 28 25.006 29.287 14.223 197 HB3 TYR 28 HB3 TYR 28 24.596 27.815 13.365 198 HD1 TYR 28 HD1 TYR 28 25.203 31.304 12.960 199 HD2 TYR 28 HD2 TYR 28 22.845 28.030 11.413 200 HE1 TYR 28 HE1 TYR 28 24.834 32.560 10.840 201 HE2 TYR 28 HE2 TYR 28 22.459 29.307 9.317 202 HH TYR 28 HH TYR 28 23.553 32.640 8.904 203 H LYS 29 H LYS 29 23.188 26.168 14.466 204 HA LYS 29 HA LYS 29 22.692 25.527 17.242 205 HB2 LYS 29 HB2 LYS 29 23.771 23.922 14.899 206 HB3 LYS 29 HB3 LYS 29 23.437 23.237 16.493 207 HG2 LYS 29 HG2 LYS 29 21.083 23.755 16.342 208 HG3 LYS 29 HG3 LYS 29 21.305 24.644 14.825 209 HD2 LYS 29 HD2 LYS 29 22.004 22.620 13.662 210 HD3 LYS 29 HD3 LYS 29 21.966 21.690 15.177 211 HE2 LYS 29 HE2 LYS 29 19.569 21.969 15.377 212 HE3 LYS 29 HE3 LYS 29 19.517 23.056 13.987 213 HZ1 LYS 29 HZ1 LYS 29 20.100 21.260 12.546 214 HZ2 LYS 29 HZ2 LYS 29 20.417 20.221 13.805 215 HZ3 LYS 29 HZ3 LYS 29 18.897 20.684 13.505 216 H TYR 30 H TYR 30 24.280 27.175 17.975 217 HA TYR 30 HA TYR 30 26.709 25.830 18.951 218 HB2 TYR 30 HB2 TYR 30 27.392 26.998 16.853 219 HB3 TYR 30 HB3 TYR 30 26.790 28.518 17.509 220 HD1 TYR 30 HD1 TYR 30 29.133 25.692 18.237 221 HD2 TYR 30 HD2 TYR 30 28.263 29.879 18.842 222 HE1 TYR 30 HE1 TYR 30 31.261 25.959 19.476 223 HE2 TYR 30 HE2 TYR 30 30.432 30.145 20.045 224 HH TYR 30 HH TYR 30 32.587 27.354 20.672 225 H CYS 31 H CYS 31 27.595 26.894 20.880 226 HA CYS 31 HA CYS 31 25.621 28.629 22.297 227 HB2 CYS 31 HB2 CYS 31 26.743 26.030 23.366 228 HB3 CYS 31 HB3 CYS 31 25.535 27.044 24.134 229 H GLN 32 H GLN 32 26.311 29.498 24.261 230 HA GLN 32 HA GLN 32 29.247 29.710 24.790 231 HB2 GLN 32 HB2 GLN 32 26.915 31.507 25.506 232 HB3 GLN 32 HB3 GLN 32 28.489 31.637 26.261 233 HG2 GLN 32 HG2 GLN 32 28.318 33.304 24.538 234 HG3 GLN 32 HG3 GLN 32 29.555 32.127 24.102 235 HE21 GLN 32 HE21 GLN 32 26.043 32.023 21.893 236 HE22 GLN 32 HE22 GLN 32 25.925 32.289 23.628 237 H CYS 33 H CYS 33 29.979 29.247 26.895 238 HA CYS 33 HA CYS 33 28.097 27.594 28.521 239 HB2 CYS 33 HB2 CYS 33 30.961 26.942 27.786 240 HB3 CYS 33 HB3 CYS 33 29.856 25.975 28.749 241 H TYR 34 H TYR 34 28.298 27.567 30.646 242 HA TYR 34 HA TYR 34 30.214 29.468 31.918 243 HB2 TYR 34 HB2 TYR 34 27.370 29.175 32.781 244 HB3 TYR 34 HB3 TYR 34 28.484 30.481 33.101 245 HD1 TYR 34 HD1 TYR 34 25.649 29.608 31.226 246 HD2 TYR 34 HD2 TYR 34 29.413 31.654 30.795 247 HE1 TYR 34 HE1 TYR 34 24.760 30.833 29.247 248 HE2 TYR 34 HE2 TYR 34 28.531 32.867 28.817 249 HH TYR 34 HH TYR 34 26.565 33.447 27.710
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