NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
519804 | 2l2p | 17149 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 1 H SER 1 30.632 44.764 31.059 2 HA SER 1 HA SER 1 29.773 42.521 30.855 3 HB2 SER 1 HB2 SER 1 29.206 41.462 28.923 4 HB3 SER 1 HB1 SER 1 28.492 43.061 28.679 5 HG SER 1 HG SER 1 30.269 43.558 27.403 6 H THR 2 HN THR 2 32.295 44.500 29.734 7 HA THR 2 HA THR 2 34.241 42.412 29.146 8 HB THR 2 HB THR 2 35.807 44.463 29.170 9 HG1 THR 2 HG1 THR 2 34.761 46.416 29.116 10 HG21 THR 2 HG21 THR 2 34.847 43.414 27.104 11 HG22 THR 2 HG22 THR 2 35.141 45.149 26.957 12 HG23 THR 2 HG23 THR 2 33.483 44.550 27.203 13 H LEU 3 HN LEU 3 36.152 42.071 30.232 14 HA LEU 3 HA LEU 3 36.039 42.448 33.170 15 HB2 LEU 3 HB2 LEU 3 37.186 40.341 33.323 16 HB3 LEU 3 HB1 LEU 3 35.726 40.139 32.392 17 HG LEU 3 HG LEU 3 38.322 40.605 30.896 18 HD11 LEU 3 HD11 LEU 3 38.914 38.940 32.591 19 HD12 LEU 3 HD12 LEU 3 38.835 38.199 30.988 20 HD13 LEU 3 HD13 LEU 3 37.506 37.951 32.145 21 HD21 LEU 3 HD21 LEU 3 37.297 39.027 29.279 22 HD22 LEU 3 HD22 LEU 3 36.233 40.405 29.558 23 HD23 LEU 3 HD23 LEU 3 35.887 38.847 30.336 24 H PHE 4 HN PHE 4 38.057 42.191 34.225 25 HA PHE 4 HA PHE 4 40.485 43.397 33.122 26 HB2 PHE 4 HB2 PHE 4 38.645 45.238 33.478 27 HB3 PHE 4 HB1 PHE 4 38.990 45.041 35.182 28 HD1 PHE 4 HD1 PHE 4 40.639 45.639 31.860 29 HD2 PHE 4 HD2 PHE 4 40.763 46.359 36.106 30 HE1 PHE 4 HE1 PHE 4 42.488 47.259 31.532 31 HE2 PHE 4 HE2 PHE 4 42.565 48.019 35.771 32 HZ PHE 4 HZ PHE 4 43.450 48.461 33.483 33 H GLU 5 HN GLU 5 42.212 43.693 34.703 34 HA GLU 5 HA GLU 5 41.926 42.041 37.186 35 HB2 GLU 5 HB2 GLU 5 44.434 42.718 35.598 36 HB3 GLU 5 HB1 GLU 5 44.396 41.897 37.161 37 HG2 GLU 5 HG2 GLU 5 43.026 40.073 36.144 38 HG3 GLU 5 HG1 GLU 5 43.202 40.846 34.569 39 H ALA 6 HN ALA 6 42.324 43.062 39.119 40 HA ALA 6 HA ALA 6 42.383 45.841 39.455 41 HB1 ALA 6 HB1 ALA 6 41.546 44.358 41.149 42 HB2 ALA 6 HB2 ALA 6 42.992 45.136 41.833 43 HB3 ALA 6 HB3 ALA 6 43.083 43.473 41.229 44 H LEU 7 HN LEU 7 43.878 47.250 39.065 45 HA LEU 7 HA LEU 7 46.617 46.584 38.425 46 HB2 LEU 7 HB2 LEU 7 45.367 49.303 39.000 47 HB3 LEU 7 HB1 LEU 7 46.900 49.016 38.186 48 HG LEU 7 HG LEU 7 44.131 48.305 37.165 49 HD11 LEU 7 HD11 LEU 7 46.194 50.290 36.116 50 HD12 LEU 7 HD12 LEU 7 44.773 50.717 37.091 51 HD13 LEU 7 HD13 LEU 7 44.558 50.018 35.477 52 HD21 LEU 7 HD21 LEU 7 46.865 47.787 35.902 53 HD22 LEU 7 HD22 LEU 7 45.332 47.702 35.013 54 HD23 LEU 7 HD23 LEU 7 45.641 46.574 36.337 55 H TYR 8 HN TYR 8 45.045 47.645 41.373 56 HA TYR 8 HA TYR 8 47.330 47.034 43.017 57 HB2 TYR 8 HB2 TYR 8 47.339 49.384 44.026 58 HB3 TYR 8 HB1 TYR 8 48.170 49.133 42.513 59 HD1 TYR 8 HD1 TYR 8 44.953 50.457 43.931 60 HD2 TYR 8 HD2 TYR 8 47.703 50.450 40.615 61 HE1 TYR 8 HE1 TYR 8 43.725 52.360 42.914 62 HE2 TYR 8 HE2 TYR 8 46.477 52.352 39.589 63 HH TYR 8 HH TYR 8 43.630 53.845 41.148 64 H ASP 9 HN ASP 9 46.855 47.170 45.269 65 HA ASP 9 HA ASP 9 44.351 46.046 45.897 66 HB2 ASP 9 HB2 ASP 9 46.348 47.199 47.863 67 HB3 ASP 9 HB1 ASP 9 45.183 45.912 48.140 68 H TYR 10 HN TYR 10 42.718 46.684 47.283 69 HA TYR 10 HA TYR 10 42.188 49.530 47.849 70 HB2 TYR 10 HB2 TYR 10 41.652 49.157 45.450 71 HB3 TYR 10 HB1 TYR 10 40.628 47.801 45.886 72 HD1 TYR 10 HD1 TYR 10 41.011 51.406 46.962 73 HD2 TYR 10 HD2 TYR 10 38.345 48.271 45.676 74 HE1 TYR 10 HE1 TYR 10 39.079 52.956 47.180 75 HE2 TYR 10 HE2 TYR 10 36.417 49.810 45.904 76 HH TYR 10 HH TYR 10 35.724 51.893 46.664 77 H GLU 11 HN GLU 11 40.209 49.830 49.165 78 HA GLU 11 HA GLU 11 39.089 47.443 50.478 79 HB2 GLU 11 HB2 GLU 11 41.324 47.920 51.556 80 HB3 GLU 11 HB1 GLU 11 40.733 49.522 51.976 81 HG2 GLU 11 HG2 GLU 11 40.510 48.151 53.905 82 HG3 GLU 11 HG1 GLU 11 38.883 48.426 53.309 83 H ALA 12 HN ALA 12 37.027 47.817 50.878 84 HA ALA 12 HA ALA 12 35.836 49.901 49.645 85 HB1 ALA 12 HB1 ALA 12 33.722 48.912 50.483 86 HB2 ALA 12 HB2 ALA 12 34.653 47.956 51.657 87 HB3 ALA 12 HB3 ALA 12 34.871 47.694 49.913 88 H ARG 13 HN ARG 13 35.129 51.763 49.975 89 HA ARG 13 HA ARG 13 35.801 53.290 52.320 90 HB2 ARG 13 HB2 ARG 13 34.453 54.048 49.699 91 HB3 ARG 13 HB1 ARG 13 35.123 55.185 50.857 92 HG2 ARG 13 HG2 ARG 13 36.762 53.140 49.280 93 HG3 ARG 13 HG1 ARG 13 36.510 54.818 48.838 94 HD2 ARG 13 HD2 ARG 13 38.593 54.870 49.820 95 HD3 ARG 13 HD1 ARG 13 37.539 55.440 51.117 96 HE ARG 13 HE ARG 13 38.283 52.554 50.932 97 HH11 ARG 13 HH11 ARG 13 38.696 55.537 52.803 98 HH12 ARG 13 HH12 ARG 13 39.438 54.672 54.125 99 HH21 ARG 13 HH21 ARG 13 39.202 51.566 52.560 100 HH22 ARG 13 HH22 ARG 13 39.760 52.410 53.990 101 H THR 14 HN THR 14 32.688 52.294 50.830 102 HA THR 14 HA THR 14 31.185 53.585 53.077 103 HB THR 14 HB THR 14 29.242 53.661 51.788 104 HG1 THR 14 HG1 THR 14 30.605 52.200 49.819 105 HG21 THR 14 HG21 THR 14 31.441 54.539 49.873 106 HG22 THR 14 HG22 THR 14 30.844 55.472 51.268 107 HG23 THR 14 HG23 THR 14 29.757 55.097 49.922 108 H GLU 15 HN GLU 15 31.670 50.544 51.349 109 HA GLU 15 HA GLU 15 31.656 48.454 52.158 110 HB2 GLU 15 HB2 GLU 15 29.687 49.250 54.341 111 HB3 GLU 15 HB1 GLU 15 30.224 47.620 53.989 112 HG2 GLU 15 HG2 GLU 15 32.576 48.241 54.339 113 HG3 GLU 15 HG1 GLU 15 32.105 49.882 54.760 114 H ASP 16 HN ASP 16 29.324 50.325 50.718 115 HA ASP 16 HA ASP 16 27.844 47.961 49.674 116 HB2 ASP 16 HB2 ASP 16 26.722 50.206 50.189 117 HB3 ASP 16 HB1 ASP 16 27.600 50.855 48.811 118 H ASP 17 HN ASP 17 30.652 49.797 49.098 119 HA ASP 17 HA ASP 17 31.073 48.913 46.328 120 HB2 ASP 17 HB2 ASP 17 33.204 50.133 46.530 121 HB3 ASP 17 HB1 ASP 17 31.775 51.124 46.733 122 H LEU 18 HN LEU 18 33.480 48.062 46.071 123 HA LEU 18 HA LEU 18 33.511 45.488 47.574 124 HB2 LEU 18 HB2 LEU 18 32.467 45.222 45.359 125 HB3 LEU 18 HB1 LEU 18 33.865 45.969 44.592 126 HG LEU 18 HG LEU 18 35.285 44.086 45.143 127 HD11 LEU 18 HD11 LEU 18 34.508 43.349 47.324 128 HD12 LEU 18 HD12 LEU 18 34.311 42.012 46.198 129 HD13 LEU 18 HD13 LEU 18 32.894 42.977 46.676 130 HD21 LEU 18 HD21 LEU 18 32.589 43.150 44.062 131 HD22 LEU 18 HD22 LEU 18 34.157 42.357 43.797 132 HD23 LEU 18 HD23 LEU 18 33.851 43.966 43.119 133 H SER 19 HN SER 19 35.442 44.819 48.255 134 HA SER 19 HA SER 19 37.801 46.574 47.911 135 HB2 SER 19 HB2 SER 19 37.463 44.077 49.598 136 HB3 SER 19 HB1 SER 19 38.744 45.297 49.709 137 HG SER 19 HG SER 19 37.288 45.839 51.171 138 H PHE 20 HN PHE 20 39.857 45.839 47.136 139 HA PHE 20 HA PHE 20 39.926 43.238 45.741 140 HB2 PHE 20 HB2 PHE 20 40.022 46.016 44.567 141 HB3 PHE 20 HB1 PHE 20 40.986 44.756 43.823 142 HD1 PHE 20 HD1 PHE 20 39.760 42.457 43.394 143 HD2 PHE 20 HD2 PHE 20 37.787 46.273 43.768 144 HE1 PHE 20 HE1 PHE 20 37.814 41.570 42.146 145 HE2 PHE 20 HE2 PHE 20 35.847 45.387 42.501 146 HZ PHE 20 HZ PHE 20 35.841 43.031 41.717 147 H HIS 21 HN HIS 21 42.111 43.037 44.594 148 HA HIS 21 HA HIS 21 44.386 43.727 46.302 149 HB2 HIS 21 HB2 HIS 21 43.479 41.978 47.606 150 HB3 HIS 21 HB1 HIS 21 43.008 41.025 46.213 151 HD1 HIS 21 HD1 HIS 21 46.470 42.248 47.506 152 HD2 HIS 21 HD2 HIS 21 44.435 38.901 46.028 153 HE1 HIS 21 HE1 HIS 21 48.115 40.313 47.622 154 H LYS 22 HN LYS 22 46.349 43.325 45.244 155 HA LYS 22 HA LYS 22 46.369 43.892 42.553 156 HB2 LYS 22 HB2 LYS 22 48.782 43.334 42.606 157 HB3 LYS 22 HB1 LYS 22 48.237 44.403 43.891 158 HG2 LYS 22 HG2 LYS 22 48.348 42.615 45.545 159 HG3 LYS 22 HG1 LYS 22 48.658 41.412 44.293 160 HD2 LYS 22 HD2 LYS 22 50.720 41.897 45.426 161 HD3 LYS 22 HD1 LYS 22 50.803 42.432 43.759 162 HE2 LYS 22 HE2 LYS 22 51.900 44.070 45.072 163 HE3 LYS 22 HE1 LYS 22 50.398 44.791 44.514 164 HZ1 LYS 22 HZ1 LYS 22 50.934 45.184 46.895 165 HZ2 LYS 22 HZ2 LYS 22 50.700 43.592 47.213 166 HZ3 LYS 22 HZ3 LYS 22 49.476 44.544 46.657 167 H GLY 23 HN GLY 23 45.914 42.940 40.802 168 HA2 GLY 23 HA2 GLY 23 45.890 41.395 39.071 169 HA3 GLY 23 HA1 GLY 23 46.675 40.200 40.127 170 H GLU 24 HN GLU 24 43.854 41.225 41.765 171 HA GLU 24 HA GLU 24 42.389 38.839 41.199 172 HB2 GLU 24 HB2 GLU 24 41.642 41.481 42.492 173 HB3 GLU 24 HB1 GLU 24 40.504 40.149 42.341 174 HG2 GLU 24 HG2 GLU 24 43.167 39.937 43.795 175 HG3 GLU 24 HG1 GLU 24 41.621 40.294 44.561 176 H LYS 25 HN LYS 25 40.765 38.387 39.809 177 HA LYS 25 HA LYS 25 40.322 40.215 37.537 178 HB2 LYS 25 HB2 LYS 25 39.506 37.332 38.094 179 HB3 LYS 25 HB1 LYS 25 38.979 38.234 36.688 180 HG2 LYS 25 HG2 LYS 25 40.747 36.771 36.094 181 HG3 LYS 25 HG1 LYS 25 41.237 38.442 35.848 182 HD2 LYS 25 HD2 LYS 25 42.777 38.392 37.618 183 HD3 LYS 25 HD1 LYS 25 42.029 36.976 38.391 184 HE2 LYS 25 HE2 LYS 25 42.813 35.482 36.717 185 HE3 LYS 25 HE1 LYS 25 43.229 36.797 35.618 186 HZ1 LYS 25 HZ1 LYS 25 44.634 36.359 38.187 187 HZ2 LYS 25 HZ2 LYS 25 44.995 37.429 36.999 188 HZ3 LYS 25 HZ3 LYS 25 45.182 35.842 36.720 189 H PHE 26 HN PHE 26 38.566 41.378 37.170 190 HA PHE 26 HA PHE 26 35.934 40.598 38.283 191 HB2 PHE 26 HB2 PHE 26 35.472 42.841 39.029 192 HB3 PHE 26 HB1 PHE 26 36.920 42.233 39.799 193 HD1 PHE 26 HD1 PHE 26 35.618 44.659 37.292 194 HD2 PHE 26 HD2 PHE 26 39.078 43.307 39.487 195 HE1 PHE 26 HE1 PHE 26 36.790 46.775 36.760 196 HE2 PHE 26 HE2 PHE 26 40.243 45.425 38.942 197 HZ PHE 26 HZ PHE 26 39.092 47.173 37.603 198 H GLN 27 HN GLN 27 34.168 41.947 37.316 199 HA GLN 27 HA GLN 27 34.498 42.602 34.445 200 HB2 GLN 27 HB2 GLN 27 33.954 40.215 34.606 201 HB3 GLN 27 HB1 GLN 27 32.628 40.553 35.717 202 HG2 GLN 27 HG2 GLN 27 31.377 41.677 33.896 203 HG3 GLN 27 HG1 GLN 27 32.739 41.406 32.800 204 HE21 GLN 27 HE21 GLN 27 31.971 39.831 31.346 205 HE22 GLN 27 HE22 GLN 27 31.303 38.285 31.854 206 H ILE 28 HN ILE 28 32.798 43.890 33.675 207 HA ILE 28 HA ILE 28 31.530 45.627 35.761 208 HB ILE 28 HB ILE 28 32.211 46.282 32.873 209 HG12 ILE 28 HG12 ILE 28 34.290 46.252 34.033 210 HG13 ILE 28 HG11 ILE 28 33.826 47.917 33.788 211 HG21 ILE 28 HG21 ILE 28 31.553 48.598 33.459 212 HG22 ILE 28 HG22 ILE 28 31.008 48.039 35.056 213 HG23 ILE 28 HG23 ILE 28 30.204 47.475 33.579 214 HD11 ILE 28 HD11 ILE 28 33.021 47.971 36.218 215 HD12 ILE 28 HD12 ILE 28 34.760 47.716 35.992 216 HD13 ILE 28 HD13 ILE 28 33.716 46.344 36.400 217 H LEU 29 HN LEU 29 29.434 45.389 35.972 218 HA LEU 29 HA LEU 29 27.758 44.067 33.923 219 HB2 LEU 29 HB2 LEU 29 27.175 44.982 36.773 220 HB3 LEU 29 HB1 LEU 29 26.083 44.069 35.742 221 HG LEU 29 HG LEU 29 28.734 43.072 36.878 222 HD11 LEU 29 HD11 LEU 29 26.919 43.267 38.530 223 HD12 LEU 29 HD12 LEU 29 27.285 41.568 38.201 224 HD13 LEU 29 HD13 LEU 29 25.844 42.317 37.483 225 HD21 LEU 29 HD21 LEU 29 28.445 41.993 34.726 226 HD22 LEU 29 HD22 LEU 29 26.722 41.690 35.049 227 HD23 LEU 29 HD23 LEU 29 27.970 40.833 35.971 228 H ASN 30 HN ASN 30 28.134 47.221 35.537 229 HA ASN 30 HA ASN 30 26.845 48.548 33.297 230 HB2 ASN 30 HB2 ASN 30 24.829 48.041 34.574 231 HB3 ASN 30 HB1 ASN 30 25.547 48.727 36.028 232 HD21 ASN 30 HD21 ASN 30 24.148 50.454 36.375 233 HD22 ASN 30 HD22 ASN 30 23.880 51.769 35.241 234 H SER 31 HN SER 31 27.616 50.460 32.916 235 HA SER 31 HA SER 31 29.568 51.804 34.705 236 HB2 SER 31 HB2 SER 31 30.340 52.593 32.373 237 HB3 SER 31 HB1 SER 31 30.515 50.863 32.709 238 HG SER 31 HG SER 31 29.510 51.278 30.668 239 H SER 32 HN SER 32 26.364 52.313 33.696 240 HA SER 32 HA SER 32 26.513 54.767 32.285 241 HB2 SER 32 HB2 SER 32 24.232 53.437 33.778 242 HB3 SER 32 HB1 SER 32 24.040 54.969 32.924 243 HG SER 32 HG SER 32 24.522 52.446 31.885 244 H GLU 33 HN GLU 33 26.697 54.372 35.766 245 HA GLU 33 HA GLU 33 25.771 57.074 36.345 246 HB2 GLU 33 HB2 GLU 33 27.180 55.025 38.096 247 HB3 GLU 33 HB1 GLU 33 26.505 56.570 38.644 248 HG2 GLU 33 HG2 GLU 33 24.258 55.832 37.769 249 HG3 GLU 33 HG1 GLU 33 24.945 54.249 37.434 250 H GLY 34 HN GLY 34 28.615 55.945 34.973 251 HA2 GLY 34 HA2 GLY 34 30.369 57.138 34.114 252 HA3 GLY 34 HA1 GLY 34 29.771 58.576 34.967 253 H ASP 35 HN ASP 35 29.956 58.110 37.479 254 HA ASP 35 HA ASP 35 32.833 58.300 37.955 255 HB2 ASP 35 HB2 ASP 35 31.013 59.961 38.624 256 HB3 ASP 35 HB1 ASP 35 30.525 58.821 39.860 257 H TRP 36 HN TRP 36 30.145 56.250 39.117 258 HA TRP 36 HA TRP 36 32.134 54.286 40.163 259 HB2 TRP 36 HB2 TRP 36 29.476 55.022 41.442 260 HB3 TRP 36 HB1 TRP 36 30.460 53.642 41.892 261 HD1 TRP 36 HD1 TRP 36 30.723 57.473 41.829 262 HE1 TRP 36 HE1 TRP 36 32.190 58.266 43.745 263 HE3 TRP 36 HE3 TRP 36 32.108 52.914 43.714 264 HZ2 TRP 36 HZ2 TRP 36 33.674 57.094 45.929 265 HZ3 TRP 36 HZ3 TRP 36 33.508 52.795 45.762 266 HH2 TRP 36 HH2 TRP 36 34.296 54.867 46.870 267 H TRP 37 HN TRP 37 31.828 52.239 39.546 268 HA TRP 37 HA TRP 37 29.598 51.623 37.663 269 HB2 TRP 37 HB2 TRP 37 32.526 50.829 37.740 270 HB3 TRP 37 HB1 TRP 37 31.345 50.069 36.694 271 HD1 TRP 37 HD1 TRP 37 30.631 53.715 36.730 272 HE1 TRP 37 HE1 TRP 37 31.456 54.798 34.601 273 HE3 TRP 37 HE3 TRP 37 33.584 49.914 34.980 274 HZ2 TRP 37 HZ2 TRP 37 33.102 54.112 32.342 275 HZ3 TRP 37 HZ3 TRP 37 34.710 50.141 32.776 276 HH2 TRP 37 HH2 TRP 37 34.476 52.227 31.454 277 H GLU 38 HN GLU 38 28.638 49.713 37.682 278 HA GLU 38 HA GLU 38 28.572 48.097 40.119 279 HB2 GLU 38 HB2 GLU 38 27.035 47.933 37.500 280 HB3 GLU 38 HB1 GLU 38 26.817 46.838 38.870 281 HG2 GLU 38 HG2 GLU 38 26.201 48.754 40.318 282 HG3 GLU 38 HG1 GLU 38 26.386 49.853 38.952 283 H VAL 39 HN VAL 39 30.112 46.788 40.359 284 HA VAL 39 HA VAL 39 31.352 45.188 38.188 285 HB VAL 39 HB VAL 39 32.827 46.775 39.213 286 HG11 VAL 39 HG11 VAL 39 33.463 46.640 41.658 287 HG12 VAL 39 HG12 VAL 39 32.053 45.611 41.925 288 HG13 VAL 39 HG13 VAL 39 31.851 47.282 41.335 289 HG21 VAL 39 HG21 VAL 39 33.788 44.516 38.703 290 HG22 VAL 39 HG22 VAL 39 33.630 44.118 40.434 291 HG23 VAL 39 HG23 VAL 39 34.673 45.450 39.924 292 H ARG 40 HN ARG 40 31.952 43.080 38.593 293 HA ARG 40 HA ARG 40 31.299 41.807 41.148 294 HB2 ARG 40 HB2 ARG 40 30.383 39.824 40.278 295 HB3 ARG 40 HB1 ARG 40 29.429 41.162 39.648 296 HG2 ARG 40 HG2 ARG 40 30.558 40.914 37.434 297 HG3 ARG 40 HG1 ARG 40 31.518 39.567 38.086 298 HD2 ARG 40 HD2 ARG 40 29.427 38.358 38.658 299 HD3 ARG 40 HD1 ARG 40 28.480 39.657 37.916 300 HE ARG 40 HE ARG 40 30.268 38.802 35.943 301 HH11 ARG 40 HH11 ARG 40 27.634 37.260 37.745 302 HH12 ARG 40 HH12 ARG 40 27.314 36.140 36.444 303 HH21 ARG 40 HH21 ARG 40 29.809 37.402 34.381 304 HH22 ARG 40 HH22 ARG 40 28.543 36.203 34.530 305 H SER 41 HN SER 41 32.869 40.524 41.859 306 HA SER 41 HA SER 41 35.393 40.234 40.408 307 HB2 SER 41 HB2 SER 41 35.396 40.528 42.831 308 HB3 SER 41 HB1 SER 41 34.406 39.057 43.022 309 HG SER 41 HG SER 41 36.588 38.493 43.154 310 H LEU 42 HN LEU 42 36.157 38.396 39.492 311 HA LEU 42 HA LEU 42 34.252 36.210 38.811 312 HB2 LEU 42 HB2 LEU 42 36.969 37.000 37.663 313 HB3 LEU 42 HB1 LEU 42 35.949 35.697 37.072 314 HG LEU 42 HG LEU 42 35.368 38.687 36.949 315 HD11 LEU 42 HD11 LEU 42 35.794 36.572 34.799 316 HD12 LEU 42 HD12 LEU 42 36.938 37.850 35.259 317 HD13 LEU 42 HD13 LEU 42 35.394 38.274 34.503 318 HD21 LEU 42 HD21 LEU 42 33.226 37.655 37.401 319 HD22 LEU 42 HD22 LEU 42 33.544 36.356 36.229 320 HD23 LEU 42 HD23 LEU 42 33.290 38.026 35.677 321 H THR 43 HN THR 43 37.220 36.825 40.514 322 HA THR 43 HA THR 43 38.195 34.135 40.886 323 HB THR 43 HB THR 43 39.418 35.132 42.831 324 HG1 THR 43 HG1 THR 43 39.054 37.298 43.166 325 HG21 THR 43 HG21 THR 43 40.810 36.649 41.591 326 HG22 THR 43 HG22 THR 43 39.507 37.028 40.445 327 HG23 THR 43 HG23 THR 43 40.275 35.418 40.442 328 H THR 44 HN THR 44 36.302 36.172 43.209 329 HA THR 44 HA THR 44 35.451 33.868 44.730 330 HB THR 44 HB THR 44 34.685 35.780 46.219 331 HG1 THR 44 HG1 THR 44 35.337 37.769 45.607 332 HG21 THR 44 HG21 THR 44 36.934 34.779 46.536 333 HG22 THR 44 HG22 THR 44 36.909 36.509 46.895 334 HG23 THR 44 HG23 THR 44 37.613 35.941 45.370 335 H GLY 45 HN GLY 45 33.839 36.580 42.959 336 HA2 GLY 45 HA2 GLY 45 31.693 36.295 41.896 337 HA3 GLY 45 HA1 GLY 45 31.215 35.154 43.171 338 H GLU 46 HN GLU 46 32.839 37.760 44.609 339 HA GLU 46 HA GLU 46 30.441 38.908 45.752 340 HB2 GLU 46 HB2 GLU 46 33.332 39.819 45.721 341 HB3 GLU 46 HB1 GLU 46 32.061 40.616 46.655 342 HG2 GLU 46 HG2 GLU 46 31.771 38.820 48.119 343 HG3 GLU 46 HG1 GLU 46 32.498 37.644 47.036 344 H THR 47 HN THR 47 29.355 40.798 45.263 345 HA THR 47 HA THR 47 30.050 42.277 42.759 346 HB THR 47 HB THR 47 27.293 41.375 43.685 347 HG1 THR 47 HG1 THR 47 28.653 39.800 42.708 348 HG21 THR 47 HG21 THR 47 26.441 42.190 41.556 349 HG22 THR 47 HG22 THR 47 28.032 42.793 41.085 350 HG23 THR 47 HG23 THR 47 27.144 43.546 42.441 351 H GLY 48 HN GLY 48 29.467 44.416 42.750 352 HA2 GLY 48 HA2 GLY 48 28.293 45.996 44.776 353 HA3 GLY 48 HA1 GLY 48 29.978 45.827 45.212 354 H TYR 49 HN TYR 49 30.295 48.020 44.984 355 HA TYR 49 HA TYR 49 30.435 49.092 42.198 356 HB2 TYR 49 HB2 TYR 49 30.039 50.462 44.868 357 HB3 TYR 49 HB1 TYR 49 30.581 51.330 43.446 358 HD1 TYR 49 HD1 TYR 49 29.182 51.467 41.388 359 HD2 TYR 49 HD2 TYR 49 27.699 49.923 45.129 360 HE1 TYR 49 HE1 TYR 49 26.857 51.938 40.655 361 HE2 TYR 49 HE2 TYR 49 25.369 50.388 44.400 362 HH TYR 49 HH TYR 49 24.665 51.993 41.314 363 H ILE 50 HN ILE 50 32.172 50.094 41.529 364 HA ILE 50 HA ILE 50 34.451 50.775 43.341 365 HB ILE 50 HB ILE 50 36.025 50.366 41.366 366 HG12 ILE 50 HG12 ILE 50 33.788 48.556 40.361 367 HG13 ILE 50 HG11 ILE 50 34.226 50.101 39.642 368 HG21 ILE 50 HG21 ILE 50 34.807 47.952 42.758 369 HG22 ILE 50 HG22 ILE 50 36.010 49.060 43.431 370 HG23 ILE 50 HG23 ILE 50 36.437 48.062 42.044 371 HD11 ILE 50 HD11 ILE 50 35.206 48.257 38.393 372 HD12 ILE 50 HD12 ILE 50 36.093 47.711 39.826 373 HD13 ILE 50 HD13 ILE 50 36.452 49.302 39.092 374 HA PRO 51 HA PRO 51 34.293 54.709 41.101 375 HB2 PRO 51 HB2 PRO 51 37.251 54.861 41.430 376 HB3 PRO 51 HB1 PRO 51 35.997 56.026 41.939 377 HG2 PRO 51 HG2 PRO 51 37.330 54.445 43.743 378 HG3 PRO 51 HG1 PRO 51 35.605 54.879 43.947 379 HD2 PRO 51 HD2 PRO 51 36.780 52.322 42.831 380 HD3 PRO 51 HD1 PRO 51 35.447 52.538 44.009 381 H SER 52 HN SER 52 34.471 55.037 38.893 382 HA SER 52 HA SER 52 35.313 52.954 37.166 383 HB2 SER 52 HB2 SER 52 34.655 54.385 35.393 384 HB3 SER 52 HB1 SER 52 33.543 54.671 36.750 385 HG SER 52 HG SER 52 34.111 56.620 36.113 386 HA PRO 53 HA PRO 53 39.095 55.531 35.904 387 HB2 PRO 53 HB2 PRO 53 40.517 56.996 37.762 388 HB3 PRO 53 HB1 PRO 53 39.226 57.656 36.718 389 HG2 PRO 53 HG2 PRO 53 38.987 56.671 39.577 390 HG3 PRO 53 HG1 PRO 53 38.375 58.204 38.871 391 HD2 PRO 53 HD2 PRO 53 36.759 56.096 39.192 392 HD3 PRO 53 HD1 PRO 53 36.663 57.114 37.726 393 H TYR 54 HN TYR 54 38.681 53.631 38.741 394 HA TYR 54 HA TYR 54 41.227 52.661 39.355 395 HB2 TYR 54 HB2 TYR 54 39.042 52.140 40.449 396 HB3 TYR 54 HB1 TYR 54 38.603 51.152 39.061 397 HD1 TYR 54 HD1 TYR 54 41.784 51.391 41.109 398 HD2 TYR 54 HD2 TYR 54 38.476 48.947 39.789 399 HE1 TYR 54 HE1 TYR 54 42.678 49.479 42.406 400 HE2 TYR 54 HE2 TYR 54 39.353 47.047 41.124 401 HH TYR 54 HH TYR 54 42.339 47.321 43.049 402 H LEU 55 HN LEU 55 39.113 51.689 36.626 403 HA LEU 55 HA LEU 55 41.470 50.481 35.266 404 HB2 LEU 55 HB2 LEU 55 40.007 49.070 34.115 405 HB3 LEU 55 HB1 LEU 55 39.633 48.919 35.819 406 HG LEU 55 HG LEU 55 37.949 50.606 33.912 407 HD11 LEU 55 HD11 LEU 55 36.478 48.658 33.659 408 HD12 LEU 55 HD12 LEU 55 37.592 47.664 34.624 409 HD13 LEU 55 HD13 LEU 55 38.096 48.300 33.048 410 HD21 LEU 55 HD21 LEU 55 37.543 50.972 36.389 411 HD22 LEU 55 HD22 LEU 55 37.215 49.237 36.546 412 HD23 LEU 55 HD23 LEU 55 36.163 50.259 35.549 413 H ALA 56 HN ALA 56 38.921 52.894 34.877 414 HA ALA 56 HA ALA 56 39.552 53.266 32.028 415 HB1 ALA 56 HB1 ALA 56 37.212 52.989 32.925 416 HB2 ALA 56 HB2 ALA 56 37.458 54.466 31.983 417 HB3 ALA 56 HB3 ALA 56 37.394 54.550 33.753 Start of MODEL 2 1 H SER 1 H SER 1 29.410 41.592 30.776 2 HA SER 1 HA SER 1 28.750 42.887 28.743 3 HB2 SER 1 HB2 SER 1 29.301 45.161 28.580 4 HB3 SER 1 HB1 SER 1 28.376 45.004 30.076 5 HG SER 1 HG SER 1 30.314 45.153 31.210 6 H THR 2 HN THR 2 31.559 42.978 30.877 7 HA THR 2 HA THR 2 33.406 41.661 29.079 8 HB THR 2 HB THR 2 33.114 43.955 28.053 9 HG1 THR 2 HG1 THR 2 35.713 43.794 28.900 10 HG21 THR 2 HG21 THR 2 32.979 45.260 30.212 11 HG22 THR 2 HG22 THR 2 34.141 45.882 29.035 12 HG23 THR 2 HG23 THR 2 34.710 44.964 30.448 13 H LEU 3 HN LEU 3 35.584 41.461 30.039 14 HA LEU 3 HA LEU 3 35.588 41.611 32.985 15 HB2 LEU 3 HB2 LEU 3 37.632 40.509 31.010 16 HB3 LEU 3 HB1 LEU 3 37.693 40.322 32.751 17 HG LEU 3 HG LEU 3 35.672 39.046 30.888 18 HD11 LEU 3 HD11 LEU 3 37.946 38.066 30.883 19 HD12 LEU 3 HD12 LEU 3 36.783 36.965 31.642 20 HD13 LEU 3 HD13 LEU 3 37.898 37.914 32.646 21 HD21 LEU 3 HD21 LEU 3 34.519 39.592 32.986 22 HD22 LEU 3 HD22 LEU 3 35.871 38.925 33.933 23 HD23 LEU 3 HD23 LEU 3 34.864 37.858 32.924 24 H PHE 4 HN PHE 4 37.722 42.056 33.908 25 HA PHE 4 HA PHE 4 39.619 43.859 32.751 26 HB2 PHE 4 HB2 PHE 4 37.650 45.378 33.492 27 HB3 PHE 4 HB1 PHE 4 38.071 44.940 35.138 28 HD1 PHE 4 HD1 PHE 4 39.765 46.098 31.975 29 HD2 PHE 4 HD2 PHE 4 39.480 46.483 36.257 30 HE1 PHE 4 HE1 PHE 4 41.492 47.873 31.927 31 HE2 PHE 4 HE2 PHE 4 41.192 48.284 36.202 32 HZ PHE 4 HZ PHE 4 42.197 48.982 34.034 33 H GLU 5 HN GLU 5 41.475 44.189 34.256 34 HA GLU 5 HA GLU 5 41.498 42.358 36.612 35 HB2 GLU 5 HB2 GLU 5 42.918 41.509 34.708 36 HB3 GLU 5 HB1 GLU 5 43.914 42.963 34.865 37 HG2 GLU 5 HG2 GLU 5 44.531 42.355 37.144 38 HG3 GLU 5 HG1 GLU 5 43.359 41.038 37.162 39 H ALA 6 HN ALA 6 42.019 43.379 38.500 40 HA ALA 6 HA ALA 6 42.075 46.178 38.698 41 HB1 ALA 6 HB1 ALA 6 42.523 45.691 41.093 42 HB2 ALA 6 HB2 ALA 6 42.875 44.000 40.685 43 HB3 ALA 6 HB3 ALA 6 41.241 44.645 40.447 44 H LEU 7 HN LEU 7 43.601 47.535 38.243 45 HA LEU 7 HA LEU 7 46.387 46.727 37.863 46 HB2 LEU 7 HB2 LEU 7 45.006 49.420 37.519 47 HB3 LEU 7 HB1 LEU 7 46.608 48.991 36.933 48 HG LEU 7 HG LEU 7 43.943 47.910 35.933 49 HD11 LEU 7 HD11 LEU 7 44.582 50.195 35.171 50 HD12 LEU 7 HD12 LEU 7 44.582 49.025 33.843 51 HD13 LEU 7 HD13 LEU 7 46.117 49.550 34.560 52 HD21 LEU 7 HD21 LEU 7 46.766 47.106 35.091 53 HD22 LEU 7 HD22 LEU 7 45.284 46.703 34.199 54 HD23 LEU 7 HD23 LEU 7 45.533 46.048 35.819 55 H TYR 8 HN TYR 8 44.705 47.653 40.608 56 HA TYR 8 HA TYR 8 47.077 48.431 42.082 57 HB2 TYR 8 HB2 TYR 8 46.211 50.515 40.818 58 HB3 TYR 8 HB1 TYR 8 44.788 50.412 41.841 59 HD1 TYR 8 HD1 TYR 8 48.515 50.097 42.430 60 HD2 TYR 8 HD2 TYR 8 44.853 52.139 43.426 61 HE1 TYR 8 HE1 TYR 8 49.750 51.515 44.048 62 HE2 TYR 8 HE2 TYR 8 46.087 53.582 45.022 63 HH TYR 8 HH TYR 8 48.154 54.114 45.903 64 H ASP 9 HN ASP 9 46.363 49.099 44.394 65 HA ASP 9 HA ASP 9 44.388 47.123 45.419 66 HB2 ASP 9 HB2 ASP 9 46.551 48.726 46.825 67 HB3 ASP 9 HB1 ASP 9 45.507 47.531 47.580 68 H TYR 10 HN TYR 10 42.849 47.678 46.996 69 HA TYR 10 HA TYR 10 42.206 50.462 47.676 70 HB2 TYR 10 HB2 TYR 10 41.341 50.158 45.366 71 HB3 TYR 10 HB1 TYR 10 40.431 48.751 45.904 72 HD1 TYR 10 HD1 TYR 10 40.861 52.409 46.725 73 HD2 TYR 10 HD2 TYR 10 38.161 49.066 46.398 74 HE1 TYR 10 HE1 TYR 10 38.943 53.903 47.260 75 HE2 TYR 10 HE2 TYR 10 36.245 50.553 46.912 76 HH TYR 10 HH TYR 10 35.602 52.684 47.450 77 H GLU 11 HN GLU 11 40.145 50.587 48.973 78 HA GLU 11 HA GLU 11 39.271 48.215 50.410 79 HB2 GLU 11 HB2 GLU 11 41.488 48.899 51.509 80 HB3 GLU 11 HB1 GLU 11 40.683 50.383 52.008 81 HG2 GLU 11 HG2 GLU 11 40.539 48.879 53.850 82 HG3 GLU 11 HG1 GLU 11 38.927 48.942 53.154 83 H ALA 12 HN ALA 12 37.192 48.488 50.839 84 HA ALA 12 HA ALA 12 35.980 50.530 49.421 85 HB1 ALA 12 HB1 ALA 12 35.225 48.236 49.488 86 HB2 ALA 12 HB2 ALA 12 33.900 49.291 50.011 87 HB3 ALA 12 HB3 ALA 12 34.825 48.365 51.211 88 H ARG 13 HN ARG 13 34.887 52.204 49.750 89 HA ARG 13 HA ARG 13 35.174 53.626 52.312 90 HB2 ARG 13 HB2 ARG 13 34.532 54.525 49.475 91 HB3 ARG 13 HB1 ARG 13 34.608 55.626 50.840 92 HG2 ARG 13 HG2 ARG 13 36.936 53.991 49.747 93 HG3 ARG 13 HG1 ARG 13 36.648 55.716 49.554 94 HD2 ARG 13 HD2 ARG 13 38.175 55.758 51.257 95 HD3 ARG 13 HD1 ARG 13 36.678 55.744 52.197 96 HE ARG 13 HE ARG 13 38.033 53.180 51.493 97 HH11 ARG 13 HH11 ARG 13 37.198 55.371 54.155 98 HH12 ARG 13 HH12 ARG 13 37.585 54.159 55.350 99 HH21 ARG 13 HH21 ARG 13 38.482 51.751 52.986 100 HH22 ARG 13 HH22 ARG 13 38.332 52.094 54.696 101 H THR 14 HN THR 14 32.374 52.717 50.182 102 HA THR 14 HA THR 14 30.537 54.193 51.965 103 HB THR 14 HB THR 14 28.885 53.990 50.372 104 HG1 THR 14 HG1 THR 14 30.379 52.026 49.077 105 HG21 THR 14 HG21 THR 14 30.310 55.586 49.400 106 HG22 THR 14 HG22 THR 14 29.919 54.476 48.080 107 HG23 THR 14 HG23 THR 14 31.499 54.381 48.856 108 H GLU 15 HN GLU 15 31.294 50.923 50.929 109 HA GLU 15 HA GLU 15 31.336 49.047 52.302 110 HB2 GLU 15 HB2 GLU 15 30.297 50.235 54.243 111 HB3 GLU 15 HB1 GLU 15 28.700 49.888 53.547 112 HG2 GLU 15 HG2 GLU 15 29.000 47.532 53.867 113 HG3 GLU 15 HG1 GLU 15 30.727 47.722 54.183 114 H ASP 16 HN ASP 16 29.054 50.435 50.191 115 HA ASP 16 HA ASP 16 27.871 47.884 49.276 116 HB2 ASP 16 HB2 ASP 16 26.671 50.161 49.460 117 HB3 ASP 16 HB1 ASP 16 27.641 50.667 48.087 118 H ASP 17 HN ASP 17 30.612 49.842 48.692 119 HA ASP 17 HA ASP 17 31.286 48.702 46.079 120 HB2 ASP 17 HB2 ASP 17 33.362 50.035 46.303 121 HB3 ASP 17 HB1 ASP 17 31.884 50.964 46.244 122 H LEU 18 HN LEU 18 33.578 47.886 45.945 123 HA LEU 18 HA LEU 18 33.843 45.598 47.855 124 HB2 LEU 18 HB2 LEU 18 34.403 45.673 44.857 125 HB3 LEU 18 HB1 LEU 18 34.832 44.349 45.925 126 HG LEU 18 HG LEU 18 32.011 45.236 45.215 127 HD11 LEU 18 HD11 LEU 18 33.693 42.777 44.554 128 HD12 LEU 18 HD12 LEU 18 33.103 44.015 43.426 129 HD13 LEU 18 HD13 LEU 18 31.959 42.912 44.212 130 HD21 LEU 18 HD21 LEU 18 31.970 44.464 47.537 131 HD22 LEU 18 HD22 LEU 18 32.943 43.035 47.117 132 HD23 LEU 18 HD23 LEU 18 31.284 43.215 46.500 133 H SER 19 HN SER 19 35.869 44.850 48.300 134 HA SER 19 HA SER 19 38.116 46.772 47.858 135 HB2 SER 19 HB2 SER 19 37.749 44.554 49.891 136 HB3 SER 19 HB1 SER 19 39.121 45.677 49.778 137 HG SER 19 HG SER 19 37.726 46.514 51.152 138 H PHE 20 HN PHE 20 40.122 46.057 47.150 139 HA PHE 20 HA PHE 20 40.390 43.331 46.117 140 HB2 PHE 20 HB2 PHE 20 40.571 44.112 43.788 141 HB3 PHE 20 HB1 PHE 20 38.981 44.301 44.480 142 HD1 PHE 20 HD1 PHE 20 42.040 46.132 43.418 143 HD2 PHE 20 HD2 PHE 20 37.920 46.494 44.633 144 HE1 PHE 20 HE1 PHE 20 41.991 48.470 42.582 145 HE2 PHE 20 HE2 PHE 20 37.877 48.823 43.783 146 HZ PHE 20 HZ PHE 20 39.906 49.812 42.748 147 H HIS 21 HN HIS 21 42.293 43.029 44.849 148 HA HIS 21 HA HIS 21 44.648 44.592 45.754 149 HB2 HIS 21 HB2 HIS 21 44.256 41.569 45.877 150 HB3 HIS 21 HB1 HIS 21 45.839 42.334 45.873 151 HD1 HIS 21 HD1 HIS 21 46.212 44.158 47.972 152 HD2 HIS 21 HD2 HIS 21 43.201 41.268 48.304 153 HE1 HIS 21 HE1 HIS 21 45.775 43.874 50.466 154 H LYS 22 HN LYS 22 46.312 44.664 44.226 155 HA LYS 22 HA LYS 22 45.543 44.583 41.514 156 HB2 LYS 22 HB2 LYS 22 47.926 44.955 41.014 157 HB3 LYS 22 HB1 LYS 22 47.275 46.029 42.249 158 HG2 LYS 22 HG2 LYS 22 48.315 44.569 44.018 159 HG3 LYS 22 HG1 LYS 22 49.089 43.622 42.733 160 HD2 LYS 22 HD2 LYS 22 50.296 45.568 41.934 161 HD3 LYS 22 HD1 LYS 22 49.432 46.636 43.037 162 HE2 LYS 22 HE2 LYS 22 51.378 44.426 43.838 163 HE3 LYS 22 HE1 LYS 22 51.700 46.157 43.822 164 HZ1 LYS 22 HZ1 LYS 22 51.151 45.634 46.040 165 HZ2 LYS 22 HZ2 LYS 22 49.841 44.730 45.624 166 HZ3 LYS 22 HZ3 LYS 22 49.793 46.328 45.443 167 H GLY 23 HN GLY 23 45.371 43.078 40.063 168 HA2 GLY 23 HA2 GLY 23 45.936 41.012 38.949 169 HA3 GLY 23 HA1 GLY 23 46.447 40.312 40.498 170 H GLU 24 HN GLU 24 43.699 41.658 41.574 171 HA GLU 24 HA GLU 24 42.047 39.363 41.231 172 HB2 GLU 24 HB2 GLU 24 41.654 40.812 43.130 173 HB3 GLU 24 HB1 GLU 24 41.374 42.187 42.076 174 HG2 GLU 24 HG2 GLU 24 39.292 41.459 42.999 175 HG3 GLU 24 HG1 GLU 24 39.271 41.260 41.269 176 H LYS 25 HN LYS 25 40.484 38.856 39.843 177 HA LYS 25 HA LYS 25 40.231 40.446 37.342 178 HB2 LYS 25 HB2 LYS 25 39.464 37.552 37.888 179 HB3 LYS 25 HB1 LYS 25 39.326 38.413 36.362 180 HG2 LYS 25 HG2 LYS 25 41.285 37.362 35.942 181 HG3 LYS 25 HG1 LYS 25 41.955 38.806 36.698 182 HD2 LYS 25 HD2 LYS 25 42.179 37.551 38.855 183 HD3 LYS 25 HD1 LYS 25 41.357 36.176 38.128 184 HE2 LYS 25 HE2 LYS 25 43.629 35.604 38.116 185 HE3 LYS 25 HE1 LYS 25 43.229 35.994 36.446 186 HZ1 LYS 25 HZ1 LYS 25 45.361 36.960 37.258 187 HZ2 LYS 25 HZ2 LYS 25 44.509 37.914 38.296 188 HZ3 LYS 25 HZ3 LYS 25 44.341 38.087 36.698 189 H PHE 26 HN PHE 26 38.511 41.611 37.028 190 HA PHE 26 HA PHE 26 35.976 41.146 38.529 191 HB2 PHE 26 HB2 PHE 26 37.361 43.592 37.403 192 HB3 PHE 26 HB1 PHE 26 35.640 43.598 37.703 193 HD1 PHE 26 HD1 PHE 26 34.688 43.561 39.921 194 HD2 PHE 26 HD2 PHE 26 38.961 43.520 39.348 195 HE1 PHE 26 HE1 PHE 26 35.013 44.297 42.271 196 HE2 PHE 26 HE2 PHE 26 39.277 44.248 41.698 197 HZ PHE 26 HZ PHE 26 37.290 44.658 43.154 198 H GLN 27 HN GLN 27 34.051 41.121 37.494 199 HA GLN 27 HA GLN 27 33.872 41.266 34.525 200 HB2 GLN 27 HB2 GLN 27 33.029 39.145 35.481 201 HB3 GLN 27 HB1 GLN 27 32.031 40.038 36.630 202 HG2 GLN 27 HG2 GLN 27 30.706 40.981 34.746 203 HG3 GLN 27 HG1 GLN 27 31.703 40.075 33.601 204 HE21 GLN 27 HE21 GLN 27 31.520 37.643 33.626 205 HE22 GLN 27 HE22 GLN 27 30.056 36.945 34.307 206 H ILE 28 HN ILE 28 32.764 43.034 33.749 207 HA ILE 28 HA ILE 28 31.773 45.042 35.709 208 HB ILE 28 HB ILE 28 32.462 45.499 32.793 209 HG12 ILE 28 HG12 ILE 28 34.569 44.898 33.738 210 HG13 ILE 28 HG11 ILE 28 34.522 46.630 33.496 211 HG21 ILE 28 HG21 ILE 28 30.895 47.113 33.724 212 HG22 ILE 28 HG22 ILE 28 32.462 47.892 33.506 213 HG23 ILE 28 HG23 ILE 28 31.937 47.392 35.127 214 HD11 ILE 28 HD11 ILE 28 34.217 45.205 36.175 215 HD12 ILE 28 HD12 ILE 28 34.152 46.973 35.931 216 HD13 ILE 28 HD13 ILE 28 35.641 46.079 35.591 217 H LEU 29 HN LEU 29 29.698 45.160 35.927 218 HA LEU 29 HA LEU 29 27.847 43.697 34.180 219 HB2 LEU 29 HB2 LEU 29 27.392 45.190 36.801 220 HB3 LEU 29 HB1 LEU 29 26.274 44.086 36.022 221 HG LEU 29 HG LEU 29 28.981 43.313 37.216 222 HD11 LEU 29 HD11 LEU 29 26.138 42.862 38.208 223 HD12 LEU 29 HD12 LEU 29 27.367 43.917 38.938 224 HD13 LEU 29 HD13 LEU 29 27.604 42.163 38.926 225 HD21 LEU 29 HD21 LEU 29 26.793 41.581 35.987 226 HD22 LEU 29 HD22 LEU 29 28.199 40.979 36.895 227 HD23 LEU 29 HD23 LEU 29 28.441 41.813 35.357 228 H ASN 30 HN ASN 30 28.461 47.076 35.216 229 HA ASN 30 HA ASN 30 27.486 48.180 32.841 230 HB2 ASN 30 HB2 ASN 30 25.239 47.595 33.889 231 HB3 ASN 30 HB1 ASN 30 25.617 48.708 35.186 232 HD21 ASN 30 HD21 ASN 30 23.508 49.693 34.346 233 HD22 ASN 30 HD22 ASN 30 23.610 50.788 32.973 234 H SER 31 HN SER 31 28.083 50.369 32.642 235 HA SER 31 HA SER 31 30.040 51.329 34.654 236 HB2 SER 31 HB2 SER 31 29.556 52.198 31.797 237 HB3 SER 31 HB1 SER 31 30.884 52.720 32.853 238 HG SER 31 HG SER 31 31.501 50.965 31.528 239 H SER 32 HN SER 32 27.847 51.724 35.756 240 HA SER 32 HA SER 32 25.922 53.126 34.609 241 HB2 SER 32 HB2 SER 32 26.226 52.544 37.571 242 HB3 SER 32 HB1 SER 32 24.714 52.598 36.630 243 HG SER 32 HG SER 32 25.438 50.501 36.738 244 H GLU 33 HN GLU 33 28.010 54.465 37.172 245 HA GLU 33 HA GLU 33 26.610 57.082 36.929 246 HB2 GLU 33 HB2 GLU 33 28.323 56.012 39.208 247 HB3 GLU 33 HB1 GLU 33 27.536 57.596 39.129 248 HG2 GLU 33 HG2 GLU 33 25.320 56.330 38.798 249 HG3 GLU 33 HG1 GLU 33 26.191 54.868 39.235 250 H GLY 34 HN GLY 34 28.770 55.830 35.170 251 HA2 GLY 34 HA2 GLY 34 30.295 56.716 33.721 252 HA3 GLY 34 HA1 GLY 34 30.153 58.274 34.565 253 H ASP 35 HN ASP 35 30.943 57.357 37.073 254 HA ASP 35 HA ASP 35 33.880 56.831 36.823 255 HB2 ASP 35 HB2 ASP 35 33.217 59.190 37.145 256 HB3 ASP 35 HB1 ASP 35 32.317 58.757 38.589 257 H TRP 36 HN TRP 36 30.918 56.062 38.562 258 HA TRP 36 HA TRP 36 32.447 53.988 40.073 259 HB2 TRP 36 HB2 TRP 36 29.968 55.488 40.977 260 HB3 TRP 36 HB1 TRP 36 30.553 54.008 41.716 261 HD1 TRP 36 HD1 TRP 36 31.723 57.618 41.128 262 HE1 TRP 36 HE1 TRP 36 33.305 58.328 42.993 263 HE3 TRP 36 HE3 TRP 36 32.074 53.159 43.630 264 HZ2 TRP 36 HZ2 TRP 36 34.482 57.166 45.354 265 HZ3 TRP 36 HZ3 TRP 36 33.438 53.004 45.700 266 HH2 TRP 36 HH2 TRP 36 34.628 54.998 46.574 267 H TRP 37 HN TRP 37 32.082 52.054 39.292 268 HA TRP 37 HA TRP 37 29.727 51.584 37.535 269 HB2 TRP 37 HB2 TRP 37 32.374 50.119 37.720 270 HB3 TRP 37 HB1 TRP 37 31.125 49.863 36.531 271 HD1 TRP 37 HD1 TRP 37 31.232 53.437 36.417 272 HE1 TRP 37 HE1 TRP 37 32.814 54.282 34.605 273 HE3 TRP 37 HE3 TRP 37 33.971 49.188 35.709 274 HZ2 TRP 37 HZ2 TRP 37 34.931 53.216 32.941 275 HZ3 TRP 37 HZ3 TRP 37 35.791 49.135 34.022 276 HH2 TRP 37 HH2 TRP 37 36.272 51.134 32.632 277 H GLU 38 HN GLU 38 28.793 49.515 37.432 278 HA GLU 38 HA GLU 38 28.612 48.035 39.984 279 HB2 GLU 38 HB2 GLU 38 26.943 47.918 37.448 280 HB3 GLU 38 HB1 GLU 38 26.716 46.898 38.877 281 HG2 GLU 38 HG2 GLU 38 26.244 48.854 40.268 282 HG3 GLU 38 HG1 GLU 38 26.576 49.942 38.919 283 H VAL 39 HN VAL 39 29.749 46.455 40.182 284 HA VAL 39 HA VAL 39 30.751 44.698 37.972 285 HB VAL 39 HB VAL 39 32.972 44.685 38.907 286 HG11 VAL 39 HG11 VAL 39 32.132 47.593 38.690 287 HG12 VAL 39 HG12 VAL 39 32.307 46.497 37.308 288 HG13 VAL 39 HG13 VAL 39 33.713 46.867 38.326 289 HG21 VAL 39 HG21 VAL 39 33.705 46.059 40.768 290 HG22 VAL 39 HG22 VAL 39 32.462 44.945 41.324 291 HG23 VAL 39 HG23 VAL 39 32.051 46.650 41.046 292 H ARG 40 HN ARG 40 31.957 42.845 38.807 293 HA ARG 40 HA ARG 40 31.487 42.001 41.505 294 HB2 ARG 40 HB2 ARG 40 30.657 39.760 41.050 295 HB3 ARG 40 HB1 ARG 40 29.539 40.988 40.431 296 HG2 ARG 40 HG2 ARG 40 30.266 40.573 38.144 297 HG3 ARG 40 HG1 ARG 40 31.539 39.469 38.711 298 HD2 ARG 40 HD2 ARG 40 29.562 38.258 37.822 299 HD3 ARG 40 HD1 ARG 40 29.961 37.867 39.487 300 HE ARG 40 HE ARG 40 28.147 39.326 40.250 301 HH11 ARG 40 HH11 ARG 40 27.822 38.457 36.829 302 HH12 ARG 40 HH12 ARG 40 26.082 38.470 36.917 303 HH21 ARG 40 HH21 ARG 40 25.988 39.484 40.252 304 HH22 ARG 40 HH22 ARG 40 25.055 39.148 38.817 305 H SER 41 HN SER 41 32.935 40.471 42.203 306 HA SER 41 HA SER 41 35.506 40.028 41.003 307 HB2 SER 41 HB2 SER 41 35.177 39.705 43.358 308 HB3 SER 41 HB1 SER 41 33.765 38.663 43.087 309 HG SER 41 HG SER 41 36.453 38.158 42.752 310 H LEU 42 HN LEU 42 35.828 38.913 39.222 311 HA LEU 42 HA LEU 42 34.050 36.856 38.146 312 HB2 LEU 42 HB2 LEU 42 35.747 38.140 36.761 313 HB3 LEU 42 HB1 LEU 42 37.029 37.293 37.623 314 HG LEU 42 HG LEU 42 36.022 35.100 36.785 315 HD11 LEU 42 HD11 LEU 42 34.390 36.998 35.035 316 HD12 LEU 42 HD12 LEU 42 33.747 35.868 36.244 317 HD13 LEU 42 HD13 LEU 42 34.536 35.240 34.800 318 HD21 LEU 42 HD21 LEU 42 36.918 35.430 34.447 319 HD22 LEU 42 HD22 LEU 42 38.003 35.908 35.758 320 HD23 LEU 42 HD23 LEU 42 37.131 37.153 34.842 321 H THR 43 HN THR 43 37.012 36.853 40.090 322 HA THR 43 HA THR 43 37.560 34.165 40.261 323 HB THR 43 HB THR 43 38.111 36.374 42.260 324 HG1 THR 43 HG1 THR 43 39.552 36.902 40.902 325 HG21 THR 43 HG21 THR 43 40.172 35.209 42.789 326 HG22 THR 43 HG22 THR 43 39.763 33.879 41.686 327 HG23 THR 43 HG23 THR 43 38.814 34.145 43.176 328 H THR 44 HN THR 44 35.486 35.987 42.630 329 HA THR 44 HA THR 44 34.779 33.431 43.941 330 HB THR 44 HB THR 44 34.237 34.755 45.851 331 HG1 THR 44 HG1 THR 44 34.804 37.141 45.469 332 HG21 THR 44 HG21 THR 44 36.337 35.847 46.426 333 HG22 THR 44 HG22 THR 44 36.826 35.924 44.727 334 HG23 THR 44 HG23 THR 44 36.673 34.353 45.541 335 H GLY 45 HN GLY 45 33.343 36.354 42.529 336 HA2 GLY 45 HA2 GLY 45 31.215 36.355 41.358 337 HA3 GLY 45 HA1 GLY 45 30.624 35.093 42.466 338 H GLU 46 HN GLU 46 32.334 37.242 44.379 339 HA GLU 46 HA GLU 46 30.017 38.459 45.534 340 HB2 GLU 46 HB2 GLU 46 32.205 38.049 46.714 341 HB3 GLU 46 HB1 GLU 46 32.913 39.365 45.776 342 HG2 GLU 46 HG2 GLU 46 32.282 40.185 47.970 343 HG3 GLU 46 HG1 GLU 46 31.255 40.944 46.764 344 H THR 47 HN THR 47 29.127 40.499 45.283 345 HA THR 47 HA THR 47 29.732 41.920 42.712 346 HB THR 47 HB THR 47 27.105 40.918 43.875 347 HG1 THR 47 HG1 THR 47 28.350 39.465 42.668 348 HG21 THR 47 HG21 THR 47 26.014 41.773 41.835 349 HG22 THR 47 HG22 THR 47 27.505 42.633 41.391 350 HG23 THR 47 HG23 THR 47 26.597 43.083 42.863 351 H GLY 48 HN GLY 48 29.221 44.087 42.644 352 HA2 GLY 48 HA2 GLY 48 27.925 45.734 44.458 353 HA3 GLY 48 HA1 GLY 48 29.529 45.578 45.127 354 H TYR 49 HN TYR 49 29.877 47.737 44.889 355 HA TYR 49 HA TYR 49 30.203 48.885 42.164 356 HB2 TYR 49 HB2 TYR 49 29.566 49.986 44.882 357 HB3 TYR 49 HB1 TYR 49 30.525 50.997 43.834 358 HD1 TYR 49 HD1 TYR 49 29.692 51.804 41.671 359 HD2 TYR 49 HD2 TYR 49 27.195 49.538 44.350 360 HE1 TYR 49 HE1 TYR 49 27.678 52.634 40.478 361 HE2 TYR 49 HE2 TYR 49 25.170 50.348 43.151 362 HH TYR 49 HH TYR 49 25.386 52.686 40.458 363 H ILE 50 HN ILE 50 32.013 50.594 42.134 364 HA ILE 50 HA ILE 50 34.366 50.213 43.643 365 HB ILE 50 HB ILE 50 35.896 49.714 41.648 366 HG12 ILE 50 HG12 ILE 50 34.866 47.947 40.073 367 HG13 ILE 50 HG11 ILE 50 33.316 48.686 40.421 368 HG21 ILE 50 HG21 ILE 50 36.036 47.424 42.113 369 HG22 ILE 50 HG22 ILE 50 34.347 47.314 42.623 370 HG23 ILE 50 HG23 ILE 50 35.525 48.222 43.603 371 HD11 ILE 50 HD11 ILE 50 34.002 50.765 39.372 372 HD12 ILE 50 HD12 ILE 50 34.526 49.449 38.315 373 HD13 ILE 50 HD13 ILE 50 35.711 50.251 39.353 374 HA PRO 51 HA PRO 51 35.159 54.169 41.496 375 HB2 PRO 51 HB2 PRO 51 37.789 54.529 42.130 376 HB3 PRO 51 HB1 PRO 51 36.459 54.859 43.276 377 HG2 PRO 51 HG2 PRO 51 38.236 52.406 43.135 378 HG3 PRO 51 HG1 PRO 51 37.679 53.315 44.574 379 HD2 PRO 51 HD2 PRO 51 36.534 50.979 43.638 380 HD3 PRO 51 HD1 PRO 51 35.625 52.220 44.549 381 H SER 52 HN SER 52 35.164 53.832 39.371 382 HA SER 52 HA SER 52 36.572 52.047 37.724 383 HB2 SER 52 HB2 SER 52 34.757 53.293 36.848 384 HB3 SER 52 HB1 SER 52 35.448 54.840 37.341 385 HG SER 52 HG SER 52 36.104 53.280 35.153 386 HA PRO 53 HA PRO 53 39.996 55.212 36.911 387 HB2 PRO 53 HB2 PRO 53 40.495 57.369 38.527 388 HB3 PRO 53 HB1 PRO 53 39.268 57.375 37.223 389 HG2 PRO 53 HG2 PRO 53 38.815 56.792 40.173 390 HG3 PRO 53 HG1 PRO 53 37.959 57.990 39.145 391 HD2 PRO 53 HD2 PRO 53 36.902 55.572 39.550 392 HD3 PRO 53 HD1 PRO 53 36.889 56.270 37.902 393 H TYR 54 HN TYR 54 39.481 54.183 40.239 394 HA TYR 54 HA TYR 54 42.419 53.991 40.708 395 HB2 TYR 54 HB2 TYR 54 40.094 53.398 42.564 396 HB3 TYR 54 HB1 TYR 54 41.794 53.434 43.000 397 HD1 TYR 54 HD1 TYR 54 42.646 56.003 41.556 398 HD2 TYR 54 HD2 TYR 54 39.257 55.057 44.056 399 HE1 TYR 54 HE1 TYR 54 42.459 58.384 42.210 400 HE2 TYR 54 HE2 TYR 54 39.054 57.442 44.685 401 HH TYR 54 HH TYR 54 39.927 59.565 44.432 402 H LEU 55 HN LEU 55 39.591 51.899 40.227 403 HA LEU 55 HA LEU 55 40.966 49.388 40.480 404 HB2 LEU 55 HB2 LEU 55 38.485 49.661 40.306 405 HB3 LEU 55 HB1 LEU 55 38.665 50.207 38.642 406 HG LEU 55 HG LEU 55 39.550 48.014 37.974 407 HD11 LEU 55 HD11 LEU 55 39.036 47.153 40.857 408 HD12 LEU 55 HD12 LEU 55 40.641 47.313 40.109 409 HD13 LEU 55 HD13 LEU 55 39.511 46.094 39.510 410 HD21 LEU 55 HD21 LEU 55 37.458 46.704 38.329 411 HD22 LEU 55 HD22 LEU 55 37.114 48.390 37.899 412 HD23 LEU 55 HD23 LEU 55 36.981 47.853 39.594 413 H ALA 56 HN ALA 56 40.572 51.619 37.707 414 HA ALA 56 HA ALA 56 42.567 50.272 36.069 415 HB1 ALA 56 HB1 ALA 56 42.103 52.075 34.495 416 HB2 ALA 56 HB2 ALA 56 41.228 52.990 35.734 417 HB3 ALA 56 HB3 ALA 56 40.571 51.453 35.126 Start of MODEL 3 1 H SER 1 H SER 1 29.406 41.224 30.312 2 HA SER 1 HA SER 1 28.647 42.585 28.347 3 HB2 SER 1 HB2 SER 1 28.845 44.896 28.375 4 HB3 SER 1 HB1 SER 1 27.988 44.523 29.871 5 HG SER 1 HG SER 1 29.855 44.914 31.001 6 H THR 2 HN THR 2 31.328 42.938 30.613 7 HA THR 2 HA THR 2 33.328 41.678 28.968 8 HB THR 2 HB THR 2 33.110 43.913 27.838 9 HG1 THR 2 HG1 THR 2 35.479 44.249 28.223 10 HG21 THR 2 HG21 THR 2 32.672 45.331 29.843 11 HG22 THR 2 HG22 THR 2 34.041 45.895 28.884 12 HG23 THR 2 HG23 THR 2 34.328 45.028 30.407 13 H LEU 3 HN LEU 3 35.483 41.728 30.039 14 HA LEU 3 HA LEU 3 35.268 41.791 32.994 15 HB2 LEU 3 HB2 LEU 3 37.402 40.531 31.242 16 HB3 LEU 3 HB1 LEU 3 37.055 40.180 32.928 17 HG LEU 3 HG LEU 3 35.288 39.448 30.553 18 HD11 LEU 3 HD11 LEU 3 37.370 38.154 30.665 19 HD12 LEU 3 HD12 LEU 3 35.967 37.146 31.051 20 HD13 LEU 3 HD13 LEU 3 37.032 37.722 32.353 21 HD21 LEU 3 HD21 LEU 3 33.950 39.877 32.624 22 HD22 LEU 3 HD22 LEU 3 34.980 38.713 33.494 23 HD23 LEU 3 HD23 LEU 3 33.942 38.175 32.148 24 H PHE 4 HN PHE 4 37.482 42.060 34.012 25 HA PHE 4 HA PHE 4 39.410 43.876 32.911 26 HB2 PHE 4 HB2 PHE 4 37.326 45.331 33.608 27 HB3 PHE 4 HB1 PHE 4 37.868 45.037 35.248 28 HD1 PHE 4 HD1 PHE 4 39.007 46.244 31.889 29 HD2 PHE 4 HD2 PHE 4 39.621 46.429 36.148 30 HE1 PHE 4 HE1 PHE 4 40.666 48.058 31.567 31 HE2 PHE 4 HE2 PHE 4 41.273 48.249 35.828 32 HZ PHE 4 HZ PHE 4 41.798 49.071 33.535 33 H GLU 5 HN GLU 5 41.183 44.335 34.433 34 HA GLU 5 HA GLU 5 41.281 42.572 36.834 35 HB2 GLU 5 HB2 GLU 5 42.575 41.552 35.003 36 HB3 GLU 5 HB1 GLU 5 43.543 43.024 34.846 37 HG2 GLU 5 HG2 GLU 5 44.472 42.727 37.064 38 HG3 GLU 5 HG1 GLU 5 43.335 41.426 37.430 39 H ALA 6 HN ALA 6 41.877 43.620 38.644 40 HA ALA 6 HA ALA 6 42.028 46.424 38.829 41 HB1 ALA 6 HB1 ALA 6 42.554 45.919 41.201 42 HB2 ALA 6 HB2 ALA 6 42.858 44.223 40.778 43 HB3 ALA 6 HB3 ALA 6 41.228 44.892 40.615 44 H LEU 7 HN LEU 7 43.615 47.693 38.239 45 HA LEU 7 HA LEU 7 46.383 46.766 37.961 46 HB2 LEU 7 HB2 LEU 7 45.068 49.443 37.335 47 HB3 LEU 7 HB1 LEU 7 46.689 48.953 36.858 48 HG LEU 7 HG LEU 7 44.066 47.751 35.871 49 HD11 LEU 7 HD11 LEU 7 44.586 49.915 34.873 50 HD12 LEU 7 HD12 LEU 7 44.832 48.633 33.681 51 HD13 LEU 7 HD13 LEU 7 46.233 49.373 34.478 52 HD21 LEU 7 HD21 LEU 7 46.933 46.932 35.206 53 HD22 LEU 7 HD22 LEU 7 45.490 46.400 34.317 54 HD23 LEU 7 HD23 LEU 7 45.701 45.924 36.001 55 H TYR 8 HN TYR 8 44.752 47.886 40.620 56 HA TYR 8 HA TYR 8 47.187 48.649 42.013 57 HB2 TYR 8 HB2 TYR 8 46.433 50.727 40.792 58 HB3 TYR 8 HB1 TYR 8 44.933 50.657 41.703 59 HD1 TYR 8 HD1 TYR 8 48.561 50.208 42.726 60 HD2 TYR 8 HD2 TYR 8 44.940 52.515 43.106 61 HE1 TYR 8 HE1 TYR 8 49.635 51.603 44.475 62 HE2 TYR 8 HE2 TYR 8 46.020 53.931 44.838 63 HH TYR 8 HH TYR 8 47.936 54.323 46.043 64 H ASP 9 HN ASP 9 46.599 49.312 44.374 65 HA ASP 9 HA ASP 9 44.733 47.282 45.480 66 HB2 ASP 9 HB2 ASP 9 46.915 48.988 46.739 67 HB3 ASP 9 HB1 ASP 9 45.907 47.846 47.610 68 H TYR 10 HN TYR 10 43.164 47.783 47.031 69 HA TYR 10 HA TYR 10 42.399 50.540 47.710 70 HB2 TYR 10 HB2 TYR 10 41.605 50.221 45.395 71 HB3 TYR 10 HB1 TYR 10 40.787 48.740 45.874 72 HD1 TYR 10 HD1 TYR 10 40.857 52.434 46.599 73 HD2 TYR 10 HD2 TYR 10 38.509 48.825 46.428 74 HE1 TYR 10 HE1 TYR 10 38.789 53.756 47.017 75 HE2 TYR 10 HE2 TYR 10 36.448 50.134 46.860 76 HH TYR 10 HH TYR 10 35.585 52.218 47.314 77 H GLU 11 HN GLU 11 40.286 50.543 48.955 78 HA GLU 11 HA GLU 11 39.531 48.092 50.347 79 HB2 GLU 11 HB2 GLU 11 41.551 48.868 51.622 80 HB3 GLU 11 HB1 GLU 11 40.747 50.405 51.913 81 HG2 GLU 11 HG2 GLU 11 40.528 49.019 53.867 82 HG3 GLU 11 HG1 GLU 11 38.939 49.218 53.158 83 H ALA 12 HN ALA 12 37.388 48.171 50.657 84 HA ALA 12 HA ALA 12 35.933 50.162 49.368 85 HB1 ALA 12 HB1 ALA 12 35.273 47.828 49.461 86 HB2 ALA 12 HB2 ALA 12 33.970 48.830 50.118 87 HB3 ALA 12 HB3 ALA 12 35.030 47.923 51.217 88 H ARG 13 HN ARG 13 34.809 51.777 49.854 89 HA ARG 13 HA ARG 13 35.368 53.123 52.419 90 HB2 ARG 13 HB2 ARG 13 34.502 54.150 49.688 91 HB3 ARG 13 HB1 ARG 13 34.883 55.185 51.053 92 HG2 ARG 13 HG2 ARG 13 36.889 53.307 49.722 93 HG3 ARG 13 HG1 ARG 13 36.668 55.007 49.331 94 HD2 ARG 13 HD2 ARG 13 38.519 54.978 50.747 95 HD3 ARG 13 HD1 ARG 13 37.192 55.542 51.770 96 HE ARG 13 HE ARG 13 38.004 52.670 51.663 97 HH11 ARG 13 HH11 ARG 13 37.856 55.549 53.710 98 HH12 ARG 13 HH12 ARG 13 37.952 54.611 55.176 99 HH21 ARG 13 HH21 ARG 13 38.006 51.530 53.529 100 HH22 ARG 13 HH22 ARG 13 38.083 52.336 55.074 101 H THR 14 HN THR 14 32.440 52.428 50.434 102 HA THR 14 HA THR 14 30.712 53.865 52.361 103 HB THR 14 HB THR 14 29.003 53.801 50.844 104 HG1 THR 14 HG1 THR 14 30.319 51.749 49.463 105 HG21 THR 14 HG21 THR 14 31.346 53.780 48.895 106 HG22 THR 14 HG22 THR 14 30.890 55.173 49.903 107 HG23 THR 14 HG23 THR 14 29.765 54.544 48.686 108 H GLU 15 HN GLU 15 31.593 50.653 51.343 109 HA GLU 15 HA GLU 15 31.805 48.846 52.775 110 HB2 GLU 15 HB2 GLU 15 30.622 50.171 54.663 111 HB3 GLU 15 HB1 GLU 15 29.135 49.401 54.073 112 HG2 GLU 15 HG2 GLU 15 30.240 47.171 54.481 113 HG3 GLU 15 HG1 GLU 15 31.650 48.031 55.104 114 H ASP 16 HN ASP 16 29.196 49.998 50.871 115 HA ASP 16 HA ASP 16 28.173 47.331 50.090 116 HB2 ASP 16 HB2 ASP 16 26.723 49.347 50.601 117 HB3 ASP 16 HB1 ASP 16 27.397 50.124 49.178 118 H ASP 17 HN ASP 17 30.617 49.455 49.191 119 HA ASP 17 HA ASP 17 30.976 48.451 46.440 120 HB2 ASP 17 HB2 ASP 17 32.866 49.976 46.344 121 HB3 ASP 17 HB1 ASP 17 31.368 50.798 46.732 122 H LEU 18 HN LEU 18 33.582 48.075 46.214 123 HA LEU 18 HA LEU 18 33.959 45.546 47.781 124 HB2 LEU 18 HB2 LEU 18 34.206 46.007 44.787 125 HB3 LEU 18 HB1 LEU 18 34.583 44.498 45.606 126 HG LEU 18 HG LEU 18 31.802 45.765 45.560 127 HD11 LEU 18 HD11 LEU 18 32.953 43.486 43.903 128 HD12 LEU 18 HD12 LEU 18 32.550 45.120 43.327 129 HD13 LEU 18 HD13 LEU 18 31.265 44.035 43.891 130 HD21 LEU 18 HD21 LEU 18 32.115 44.284 47.507 131 HD22 LEU 18 HD22 LEU 18 32.756 43.004 46.453 132 HD23 LEU 18 HD23 LEU 18 31.060 43.513 46.316 133 H SER 19 HN SER 19 35.972 44.763 48.079 134 HA SER 19 HA SER 19 38.179 46.743 47.765 135 HB2 SER 19 HB2 SER 19 38.006 44.358 49.628 136 HB3 SER 19 HB1 SER 19 39.152 45.712 49.674 137 HG SER 19 HG SER 19 37.626 46.255 51.047 138 H PHE 20 HN PHE 20 40.190 46.183 46.995 139 HA PHE 20 HA PHE 20 40.656 43.472 45.971 140 HB2 PHE 20 HB2 PHE 20 40.890 44.344 43.652 141 HB3 PHE 20 HB1 PHE 20 39.263 44.345 44.295 142 HD1 PHE 20 HD1 PHE 20 42.163 46.547 43.492 143 HD2 PHE 20 HD2 PHE 20 37.955 46.369 44.402 144 HE1 PHE 20 HE1 PHE 20 41.897 48.903 42.752 145 HE2 PHE 20 HE2 PHE 20 37.694 48.714 43.657 146 HZ PHE 20 HZ PHE 20 39.657 49.991 42.838 147 H HIS 21 HN HIS 21 42.594 43.187 44.873 148 HA HIS 21 HA HIS 21 44.840 44.971 45.652 149 HB2 HIS 21 HB2 HIS 21 44.838 41.923 45.811 150 HB3 HIS 21 HB1 HIS 21 46.230 42.977 46.062 151 HD1 HIS 21 HD1 HIS 21 45.831 44.810 48.185 152 HD2 HIS 21 HD2 HIS 21 43.477 41.350 48.002 153 HE1 HIS 21 HE1 HIS 21 44.809 44.516 50.510 154 H LYS 22 HN LYS 22 46.587 44.936 44.102 155 HA LYS 22 HA LYS 22 45.582 44.825 41.458 156 HB2 LYS 22 HB2 LYS 22 47.928 45.215 40.733 157 HB3 LYS 22 HB1 LYS 22 47.251 46.380 41.863 158 HG2 LYS 22 HG2 LYS 22 48.537 45.494 43.709 159 HG3 LYS 22 HG1 LYS 22 49.143 44.154 42.718 160 HD2 LYS 22 HD2 LYS 22 50.372 45.611 41.288 161 HD3 LYS 22 HD1 LYS 22 49.604 47.063 41.921 162 HE2 LYS 22 HE2 LYS 22 51.244 45.257 43.722 163 HE3 LYS 22 HE1 LYS 22 52.034 46.422 42.666 164 HZ1 LYS 22 HZ1 LYS 22 51.606 47.323 44.888 165 HZ2 LYS 22 HZ2 LYS 22 50.001 47.158 44.681 166 HZ3 LYS 22 HZ3 LYS 22 50.837 48.199 43.743 167 H GLY 23 HN GLY 23 45.377 43.342 40.008 168 HA2 GLY 23 HA2 GLY 23 45.873 41.321 38.831 169 HA3 GLY 23 HA1 GLY 23 46.533 40.598 40.313 170 H GLU 24 HN GLU 24 43.806 41.934 41.557 171 HA GLU 24 HA GLU 24 42.207 39.546 41.296 172 HB2 GLU 24 HB2 GLU 24 42.067 40.774 43.351 173 HB3 GLU 24 HB1 GLU 24 41.675 42.261 42.505 174 HG2 GLU 24 HG2 GLU 24 39.739 41.424 43.645 175 HG3 GLU 24 HG1 GLU 24 39.467 41.467 41.918 176 H LYS 25 HN LYS 25 40.392 39.162 40.126 177 HA LYS 25 HA LYS 25 40.052 40.850 37.701 178 HB2 LYS 25 HB2 LYS 25 39.223 37.967 38.180 179 HB3 LYS 25 HB1 LYS 25 39.097 38.874 36.682 180 HG2 LYS 25 HG2 LYS 25 40.994 37.753 36.204 181 HG3 LYS 25 HG1 LYS 25 41.743 39.149 36.982 182 HD2 LYS 25 HD2 LYS 25 41.988 37.852 39.088 183 HD3 LYS 25 HD1 LYS 25 41.019 36.548 38.407 184 HE2 LYS 25 HE2 LYS 25 43.217 35.777 38.291 185 HE3 LYS 25 HE1 LYS 25 42.781 36.206 36.641 186 HZ1 LYS 25 HZ1 LYS 25 45.029 36.973 37.366 187 HZ2 LYS 25 HZ2 LYS 25 44.306 38.008 38.424 188 HZ3 LYS 25 HZ3 LYS 25 44.092 38.192 36.842 189 H PHE 26 HN PHE 26 38.270 41.864 37.233 190 HA PHE 26 HA PHE 26 35.719 41.337 38.693 191 HB2 PHE 26 HB2 PHE 26 37.016 43.893 37.703 192 HB3 PHE 26 HB1 PHE 26 35.297 43.799 38.016 193 HD1 PHE 26 HD1 PHE 26 38.638 43.352 39.678 194 HD2 PHE 26 HD2 PHE 26 34.408 44.031 40.187 195 HE1 PHE 26 HE1 PHE 26 38.998 43.809 42.075 196 HE2 PHE 26 HE2 PHE 26 34.780 44.501 42.595 197 HZ PHE 26 HZ PHE 26 37.060 44.362 43.552 198 H GLN 27 HN GLN 27 33.807 41.453 37.606 199 HA GLN 27 HA GLN 27 33.734 41.386 34.624 200 HB2 GLN 27 HB2 GLN 27 32.978 39.323 35.820 201 HB3 GLN 27 HB1 GLN 27 31.861 40.297 36.774 202 HG2 GLN 27 HG2 GLN 27 30.598 40.880 34.709 203 HG3 GLN 27 HG1 GLN 27 31.709 39.883 33.762 204 HE21 GLN 27 HE21 GLN 27 31.693 37.476 34.181 205 HE22 GLN 27 HE22 GLN 27 30.247 36.783 34.905 206 H ILE 28 HN ILE 28 32.444 43.008 33.636 207 HA ILE 28 HA ILE 28 31.318 45.104 35.404 208 HB ILE 28 HB ILE 28 31.952 45.227 32.437 209 HG12 ILE 28 HG12 ILE 28 34.094 45.001 33.441 210 HG13 ILE 28 HG11 ILE 28 33.863 46.680 32.999 211 HG21 ILE 28 HG21 ILE 28 30.212 46.798 33.115 212 HG22 ILE 28 HG22 ILE 28 31.696 47.676 32.763 213 HG23 ILE 28 HG23 ILE 28 31.213 47.395 34.451 214 HD11 ILE 28 HD11 ILE 28 33.732 45.509 35.807 215 HD12 ILE 28 HD12 ILE 28 33.325 47.199 35.406 216 HD13 ILE 28 HD13 ILE 28 34.968 46.585 35.137 217 H LEU 29 HN LEU 29 29.264 45.066 35.694 218 HA LEU 29 HA LEU 29 27.381 43.628 33.940 219 HB2 LEU 29 HB2 LEU 29 26.812 45.082 36.545 220 HB3 LEU 29 HB1 LEU 29 25.845 43.847 35.758 221 HG LEU 29 HG LEU 29 28.521 43.442 37.169 222 HD11 LEU 29 HD11 LEU 29 25.701 42.537 37.871 223 HD12 LEU 29 HD12 LEU 29 26.643 43.797 38.696 224 HD13 LEU 29 HD13 LEU 29 27.177 42.110 38.758 225 HD21 LEU 29 HD21 LEU 29 26.763 41.329 35.851 226 HD22 LEU 29 HD22 LEU 29 28.231 41.046 36.813 227 HD23 LEU 29 HD23 LEU 29 28.351 41.866 35.255 228 H ASN 30 HN ASN 30 28.306 46.908 34.874 229 HA ASN 30 HA ASN 30 27.348 48.031 32.524 230 HB2 ASN 30 HB2 ASN 30 25.078 47.827 33.609 231 HB3 ASN 30 HB1 ASN 30 25.638 48.894 34.887 232 HD21 ASN 30 HD21 ASN 30 24.063 50.528 34.352 233 HD22 ASN 30 HD22 ASN 30 24.145 51.433 32.843 234 H SER 31 HN SER 31 27.973 50.187 32.201 235 HA SER 31 HA SER 31 30.245 51.087 33.876 236 HB2 SER 31 HB2 SER 31 29.450 51.765 31.035 237 HB3 SER 31 HB1 SER 31 30.940 52.269 31.853 238 HG SER 31 HG SER 31 31.237 50.365 30.621 239 H SER 32 HN SER 32 28.191 51.743 35.123 240 HA SER 32 HA SER 32 26.263 53.192 34.060 241 HB2 SER 32 HB2 SER 32 26.701 52.875 37.044 242 HB3 SER 32 HB1 SER 32 25.184 52.751 36.128 243 HG SER 32 HG SER 32 25.862 50.727 36.424 244 H GLU 33 HN GLU 33 28.400 54.462 36.636 245 HA GLU 33 HA GLU 33 27.337 57.208 36.208 246 HB2 GLU 33 HB2 GLU 33 28.638 55.925 38.654 247 HB3 GLU 33 HB1 GLU 33 28.115 57.607 38.531 248 HG2 GLU 33 HG2 GLU 33 25.783 56.886 38.165 249 HG3 GLU 33 HG1 GLU 33 26.260 55.197 38.254 250 H GLY 34 HN GLY 34 29.749 55.409 35.073 251 HA2 GLY 34 HA2 GLY 34 31.609 55.951 33.841 252 HA3 GLY 34 HA1 GLY 34 31.400 57.648 34.328 253 H ASP 35 HN ASP 35 31.761 57.807 36.831 254 HA ASP 35 HA ASP 35 34.558 57.146 37.426 255 HB2 ASP 35 HB2 ASP 35 33.368 59.390 37.807 256 HB3 ASP 35 HB1 ASP 35 32.532 58.621 39.143 257 H TRP 36 HN TRP 36 31.355 56.003 38.298 258 HA TRP 36 HA TRP 36 32.582 53.772 39.842 259 HB2 TRP 36 HB2 TRP 36 30.056 55.305 40.571 260 HB3 TRP 36 HB1 TRP 36 30.486 53.746 41.241 261 HD1 TRP 36 HD1 TRP 36 31.769 57.359 41.218 262 HE1 TRP 36 HE1 TRP 36 33.042 57.824 43.377 263 HE3 TRP 36 HE3 TRP 36 31.639 52.663 43.249 264 HZ2 TRP 36 HZ2 TRP 36 33.900 56.354 45.711 265 HZ3 TRP 36 HZ3 TRP 36 32.727 52.221 45.436 266 HH2 TRP 36 HH2 TRP 36 33.842 54.055 46.679 267 H TRP 37 HN TRP 37 31.865 51.769 39.281 268 HA TRP 37 HA TRP 37 29.625 51.521 37.325 269 HB2 TRP 37 HB2 TRP 37 32.212 49.971 37.700 270 HB3 TRP 37 HB1 TRP 37 30.988 49.587 36.512 271 HD1 TRP 37 HD1 TRP 37 30.788 52.953 35.837 272 HE1 TRP 37 HE1 TRP 37 32.468 53.789 34.110 273 HE3 TRP 37 HE3 TRP 37 34.201 49.150 36.119 274 HZ2 TRP 37 HZ2 TRP 37 34.895 52.859 32.866 275 HZ3 TRP 37 HZ3 TRP 37 36.216 49.178 34.676 276 HH2 TRP 37 HH2 TRP 37 36.566 51.012 33.040 277 H GLU 38 HN GLU 38 28.671 49.424 37.134 278 HA GLU 38 HA GLU 38 28.177 48.018 39.706 279 HB2 GLU 38 HB2 GLU 38 26.629 48.234 37.118 280 HB3 GLU 38 HB1 GLU 38 26.293 46.975 38.316 281 HG2 GLU 38 HG2 GLU 38 25.676 48.521 39.992 282 HG3 GLU 38 HG1 GLU 38 26.396 49.890 39.153 283 H VAL 39 HN VAL 39 29.229 46.414 39.978 284 HA VAL 39 HA VAL 39 30.343 44.632 37.847 285 HB VAL 39 HB VAL 39 32.578 44.792 38.767 286 HG11 VAL 39 HG11 VAL 39 31.592 47.646 38.452 287 HG12 VAL 39 HG12 VAL 39 31.832 46.524 37.097 288 HG13 VAL 39 HG13 VAL 39 33.206 46.999 38.113 289 HG21 VAL 39 HG21 VAL 39 33.243 46.224 40.566 290 HG22 VAL 39 HG22 VAL 39 31.998 45.133 41.166 291 HG23 VAL 39 HG23 VAL 39 31.582 46.823 40.798 292 H ARG 40 HN ARG 40 31.710 42.906 38.828 293 HA ARG 40 HA ARG 40 31.243 42.182 41.563 294 HB2 ARG 40 HB2 ARG 40 30.600 39.845 41.205 295 HB3 ARG 40 HB1 ARG 40 29.378 40.960 40.573 296 HG2 ARG 40 HG2 ARG 40 30.048 40.527 38.295 297 HG3 ARG 40 HG1 ARG 40 31.459 39.590 38.831 298 HD2 ARG 40 HD2 ARG 40 29.565 38.161 38.038 299 HD3 ARG 40 HD1 ARG 40 30.131 37.825 39.664 300 HE ARG 40 HE ARG 40 28.215 38.871 40.608 301 HH11 ARG 40 HH11 ARG 40 27.786 38.664 37.094 302 HH12 ARG 40 HH12 ARG 40 26.051 38.751 37.238 303 HH21 ARG 40 HH21 ARG 40 26.080 39.054 40.708 304 HH22 ARG 40 HH22 ARG 40 25.084 38.985 39.276 305 H SER 41 HN SER 41 32.790 40.697 42.348 306 HA SER 41 HA SER 41 35.365 40.387 41.095 307 HB2 SER 41 HB2 SER 41 35.265 40.102 43.442 308 HB3 SER 41 HB1 SER 41 33.831 39.062 43.346 309 HG SER 41 HG SER 41 36.478 38.472 42.952 310 H LEU 42 HN LEU 42 35.755 39.212 39.439 311 HA LEU 42 HA LEU 42 34.048 37.093 38.377 312 HB2 LEU 42 HB2 LEU 42 35.612 38.594 37.031 313 HB3 LEU 42 HB1 LEU 42 36.968 37.734 37.755 314 HG LEU 42 HG LEU 42 36.023 35.590 36.748 315 HD11 LEU 42 HD11 LEU 42 34.244 37.546 35.212 316 HD12 LEU 42 HD12 LEU 42 33.668 36.361 36.399 317 HD13 LEU 42 HD13 LEU 42 34.408 35.805 34.896 318 HD21 LEU 42 HD21 LEU 42 36.828 37.884 34.909 319 HD22 LEU 42 HD22 LEU 42 36.814 36.166 34.443 320 HD23 LEU 42 HD23 LEU 42 37.902 36.726 35.722 321 H THR 43 HN THR 43 37.045 37.184 40.272 322 HA THR 43 HA THR 43 37.724 34.517 40.448 323 HB THR 43 HB THR 43 38.053 36.781 42.427 324 HG1 THR 43 HG1 THR 43 39.703 37.194 41.204 325 HG21 THR 43 HG21 THR 43 39.999 35.769 43.296 326 HG22 THR 43 HG22 THR 43 39.985 34.459 42.100 327 HG23 THR 43 HG23 THR 43 38.772 34.509 43.408 328 H THR 44 HN THR 44 35.590 36.261 42.827 329 HA THR 44 HA THR 44 34.974 33.685 44.134 330 HB THR 44 HB THR 44 34.310 35.024 46.008 331 HG1 THR 44 HG1 THR 44 34.668 37.394 45.676 332 HG21 THR 44 HG21 THR 44 36.343 36.254 46.585 333 HG22 THR 44 HG22 THR 44 36.872 36.269 44.897 334 HG23 THR 44 HG23 THR 44 36.764 34.735 45.785 335 H GLY 45 HN GLY 45 33.421 36.468 42.605 336 HA2 GLY 45 HA2 GLY 45 31.338 36.257 41.335 337 HA3 GLY 45 HA1 GLY 45 30.757 35.102 42.561 338 H GLU 46 HN GLU 46 32.328 37.346 44.381 339 HA GLU 46 HA GLU 46 29.881 38.381 45.378 340 HB2 GLU 46 HB2 GLU 46 31.944 37.916 46.720 341 HB3 GLU 46 HB1 GLU 46 32.695 39.348 46.020 342 HG2 GLU 46 HG2 GLU 46 31.763 39.758 48.273 343 HG3 GLU 46 HG1 GLU 46 31.018 40.788 47.061 344 H THR 47 HN THR 47 28.948 40.432 45.307 345 HA THR 47 HA THR 47 29.516 41.889 42.746 346 HB THR 47 HB THR 47 26.884 40.858 43.886 347 HG1 THR 47 HG1 THR 47 28.286 39.361 42.833 348 HG21 THR 47 HG21 THR 47 25.899 41.519 41.699 349 HG22 THR 47 HG22 THR 47 27.399 42.376 41.294 350 HG23 THR 47 HG23 THR 47 26.387 42.913 42.665 351 H GLY 48 HN GLY 48 28.846 43.995 42.597 352 HA2 GLY 48 HA2 GLY 48 27.387 45.677 44.128 353 HA3 GLY 48 HA1 GLY 48 28.852 45.565 45.084 354 H TYR 49 HN TYR 49 29.783 47.471 44.820 355 HA TYR 49 HA TYR 49 30.066 48.680 42.100 356 HB2 TYR 49 HB2 TYR 49 29.769 49.997 44.822 357 HB3 TYR 49 HB1 TYR 49 30.041 50.851 43.315 358 HD1 TYR 49 HD1 TYR 49 27.578 48.881 45.265 359 HD2 TYR 49 HD2 TYR 49 28.265 51.196 41.695 360 HE1 TYR 49 HE1 TYR 49 25.128 49.024 44.890 361 HE2 TYR 49 HE2 TYR 49 25.816 51.368 41.331 362 HH TYR 49 HH TYR 49 23.727 50.813 42.132 363 H ILE 50 HN ILE 50 31.824 50.279 41.970 364 HA ILE 50 HA ILE 50 34.177 50.038 43.568 365 HB ILE 50 HB ILE 50 35.762 49.525 41.689 366 HG12 ILE 50 HG12 ILE 50 34.785 47.859 39.952 367 HG13 ILE 50 HG11 ILE 50 33.256 48.682 40.194 368 HG21 ILE 50 HG21 ILE 50 35.716 47.161 42.002 369 HG22 ILE 50 HG22 ILE 50 34.009 47.188 42.486 370 HG23 ILE 50 HG23 ILE 50 35.246 47.954 43.508 371 HD11 ILE 50 HD11 ILE 50 34.141 50.732 39.251 372 HD12 ILE 50 HD12 ILE 50 34.708 49.408 38.232 373 HD13 ILE 50 HD13 ILE 50 35.817 50.136 39.400 374 HA PRO 51 HA PRO 51 34.688 53.986 41.353 375 HB2 PRO 51 HB2 PRO 51 37.377 54.425 42.136 376 HB3 PRO 51 HB1 PRO 51 35.915 55.109 42.886 377 HG2 PRO 51 HG2 PRO 51 37.675 53.171 44.068 378 HG3 PRO 51 HG1 PRO 51 36.105 53.764 44.684 379 HD2 PRO 51 HD2 PRO 51 36.719 51.242 43.212 380 HD3 PRO 51 HD1 PRO 51 35.416 51.598 44.388 381 H SER 52 HN SER 52 35.087 53.966 39.295 382 HA SER 52 HA SER 52 36.399 52.017 37.725 383 HB2 SER 52 HB2 SER 52 34.694 53.311 36.750 384 HB3 SER 52 HB1 SER 52 35.420 54.838 37.246 385 HG SER 52 HG SER 52 35.777 54.359 35.060 386 HA PRO 53 HA PRO 53 40.074 54.877 36.963 387 HB2 PRO 53 HB2 PRO 53 40.661 57.098 38.425 388 HB3 PRO 53 HB1 PRO 53 39.465 57.101 37.094 389 HG2 PRO 53 HG2 PRO 53 38.927 56.791 40.065 390 HG3 PRO 53 HG1 PRO 53 38.157 57.935 38.917 391 HD2 PRO 53 HD2 PRO 53 37.007 55.569 39.567 392 HD3 PRO 53 HD1 PRO 53 36.915 56.207 37.895 393 H TYR 54 HN TYR 54 39.231 53.885 40.154 394 HA TYR 54 HA TYR 54 42.005 53.845 41.161 395 HB2 TYR 54 HB2 TYR 54 39.618 54.353 42.336 396 HB3 TYR 54 HB1 TYR 54 39.709 52.640 42.675 397 HD1 TYR 54 HD1 TYR 54 42.511 52.147 43.439 398 HD2 TYR 54 HD2 TYR 54 40.025 55.594 44.196 399 HE1 TYR 54 HE1 TYR 54 43.912 52.747 45.405 400 HE2 TYR 54 HE2 TYR 54 41.394 56.153 46.181 401 HH TYR 54 HH TYR 54 43.208 55.555 47.476 402 H LEU 55 HN LEU 55 39.366 51.542 40.444 403 HA LEU 55 HA LEU 55 40.807 49.071 40.481 404 HB2 LEU 55 HB2 LEU 55 38.323 49.348 40.289 405 HB3 LEU 55 HB1 LEU 55 38.539 50.095 38.713 406 HG LEU 55 HG LEU 55 39.620 47.907 37.937 407 HD11 LEU 55 HD11 LEU 55 38.328 46.833 40.485 408 HD12 LEU 55 HD12 LEU 55 40.077 46.986 40.237 409 HD13 LEU 55 HD13 LEU 55 39.131 45.884 39.216 410 HD21 LEU 55 HD21 LEU 55 37.473 46.834 37.522 411 HD22 LEU 55 HD22 LEU 55 37.294 48.588 37.379 412 HD23 LEU 55 HD23 LEU 55 36.718 47.754 38.841 413 H ALA 56 HN ALA 56 40.378 51.485 37.858 414 HA ALA 56 HA ALA 56 42.249 50.253 36.030 415 HB1 ALA 56 HB1 ALA 56 41.778 52.240 34.687 416 HB2 ALA 56 HB2 ALA 56 41.071 53.064 36.087 417 HB3 ALA 56 HB3 ALA 56 40.261 51.649 35.383 Start of MODEL 4 1 H SER 1 H SER 1 28.153 41.855 31.343 2 HA SER 1 HA SER 1 28.744 41.450 29.143 3 HB2 SER 1 HB2 SER 1 28.526 43.548 28.172 4 HB3 SER 1 HB1 SER 1 27.753 43.716 29.748 5 HG SER 1 HG SER 1 29.521 44.868 30.453 6 H THR 2 HN THR 2 31.481 42.623 30.981 7 HA THR 2 HA THR 2 33.372 41.356 29.236 8 HB THR 2 HB THR 2 32.913 43.492 27.975 9 HG1 THR 2 HG1 THR 2 35.121 43.660 27.593 10 HG21 THR 2 HG21 THR 2 33.986 45.541 28.679 11 HG22 THR 2 HG22 THR 2 34.574 44.800 30.178 12 HG23 THR 2 HG23 THR 2 32.833 45.070 29.936 13 H LEU 3 HN LEU 3 35.586 41.529 29.984 14 HA LEU 3 HA LEU 3 35.652 41.459 32.926 15 HB2 LEU 3 HB2 LEU 3 37.585 40.339 30.861 16 HB3 LEU 3 HB1 LEU 3 37.531 39.952 32.574 17 HG LEU 3 HG LEU 3 35.511 39.157 30.441 18 HD11 LEU 3 HD11 LEU 3 36.202 36.876 31.042 19 HD12 LEU 3 HD12 LEU 3 37.340 37.520 32.245 20 HD13 LEU 3 HD13 LEU 3 37.593 37.838 30.514 21 HD21 LEU 3 HD21 LEU 3 34.195 39.631 32.407 22 HD22 LEU 3 HD22 LEU 3 35.371 38.799 33.457 23 HD23 LEU 3 HD23 LEU 3 34.378 37.879 32.301 24 H PHE 4 HN PHE 4 37.733 41.826 33.942 25 HA PHE 4 HA PHE 4 39.635 43.744 32.927 26 HB2 PHE 4 HB2 PHE 4 37.434 45.046 33.577 27 HB3 PHE 4 HB1 PHE 4 37.965 44.790 35.226 28 HD1 PHE 4 HD1 PHE 4 38.891 46.204 31.908 29 HD2 PHE 4 HD2 PHE 4 39.791 46.157 36.123 30 HE1 PHE 4 HE1 PHE 4 40.468 48.091 31.591 31 HE2 PHE 4 HE2 PHE 4 41.385 48.023 35.800 32 HZ PHE 4 HZ PHE 4 41.734 48.988 33.523 33 H GLU 5 HN GLU 5 41.362 44.225 34.447 34 HA GLU 5 HA GLU 5 41.547 42.428 36.813 35 HB2 GLU 5 HB2 GLU 5 42.741 41.390 34.958 36 HB3 GLU 5 HB1 GLU 5 43.677 42.863 34.687 37 HG2 GLU 5 HG2 GLU 5 44.810 42.608 36.818 38 HG3 GLU 5 HG1 GLU 5 43.719 41.308 37.304 39 H ALA 6 HN ALA 6 42.234 43.437 38.605 40 HA ALA 6 HA ALA 6 42.348 46.254 38.771 41 HB1 ALA 6 HB1 ALA 6 41.420 44.771 40.517 42 HB2 ALA 6 HB2 ALA 6 42.761 45.732 41.185 43 HB3 ALA 6 HB3 ALA 6 43.012 44.031 40.755 44 H LEU 7 HN LEU 7 43.956 47.608 38.531 45 HA LEU 7 HA LEU 7 46.717 46.702 38.237 46 HB2 LEU 7 HB2 LEU 7 45.460 49.470 38.090 47 HB3 LEU 7 HB1 LEU 7 47.092 49.048 37.582 48 HG LEU 7 HG LEU 7 44.465 48.219 36.289 49 HD11 LEU 7 HD11 LEU 7 45.322 49.518 34.401 50 HD12 LEU 7 HD12 LEU 7 46.848 49.817 35.260 51 HD13 LEU 7 HD13 LEU 7 45.338 50.517 35.869 52 HD21 LEU 7 HD21 LEU 7 45.924 46.267 36.111 53 HD22 LEU 7 HD22 LEU 7 47.285 47.287 35.584 54 HD23 LEU 7 HD23 LEU 7 45.854 47.085 34.548 55 H TYR 8 HN TYR 8 44.911 47.936 40.936 56 HA TYR 8 HA TYR 8 47.382 48.525 42.465 57 HB2 TYR 8 HB2 TYR 8 45.062 50.468 42.165 58 HB3 TYR 8 HB1 TYR 8 46.460 50.685 43.203 59 HD1 TYR 8 HD1 TYR 8 48.767 50.947 42.179 60 HD2 TYR 8 HD2 TYR 8 45.145 51.101 39.859 61 HE1 TYR 8 HE1 TYR 8 50.003 52.068 40.339 62 HE2 TYR 8 HE2 TYR 8 46.380 52.198 37.994 63 HH TYR 8 HH TYR 8 49.858 52.966 38.221 64 H ASP 9 HN ASP 9 46.746 49.178 44.789 65 HA ASP 9 HA ASP 9 44.854 47.128 45.827 66 HB2 ASP 9 HB2 ASP 9 47.067 48.607 47.268 67 HB3 ASP 9 HB1 ASP 9 46.149 47.226 47.860 68 H TYR 10 HN TYR 10 43.412 47.554 47.473 69 HA TYR 10 HA TYR 10 42.591 50.302 48.151 70 HB2 TYR 10 HB2 TYR 10 41.830 49.764 45.806 71 HB3 TYR 10 HB1 TYR 10 40.947 48.391 46.440 72 HD1 TYR 10 HD1 TYR 10 41.291 52.101 47.008 73 HD2 TYR 10 HD2 TYR 10 38.641 48.709 46.788 74 HE1 TYR 10 HE1 TYR 10 39.335 53.608 47.307 75 HE2 TYR 10 HE2 TYR 10 36.688 50.208 47.085 76 HH TYR 10 HH TYR 10 36.003 52.371 47.454 77 H GLU 11 HN GLU 11 40.510 50.289 49.427 78 HA GLU 11 HA GLU 11 39.638 47.823 50.683 79 HB2 GLU 11 HB2 GLU 11 41.528 48.409 52.158 80 HB3 GLU 11 HB1 GLU 11 40.839 50.015 52.416 81 HG2 GLU 11 HG2 GLU 11 38.787 48.899 53.409 82 HG3 GLU 11 HG1 GLU 11 39.585 47.345 53.196 83 H ALA 12 HN ALA 12 37.493 47.977 50.939 84 HA ALA 12 HA ALA 12 36.119 49.995 49.606 85 HB1 ALA 12 HB1 ALA 12 35.412 47.658 49.723 86 HB2 ALA 12 HB2 ALA 12 34.109 48.729 50.264 87 HB3 ALA 12 HB3 ALA 12 35.058 47.829 51.459 88 H ARG 13 HN ARG 13 35.206 51.734 50.038 89 HA ARG 13 HA ARG 13 35.702 53.070 52.580 90 HB2 ARG 13 HB2 ARG 13 34.645 54.015 49.888 91 HB3 ARG 13 HB1 ARG 13 34.891 55.095 51.247 92 HG2 ARG 13 HG2 ARG 13 37.079 53.502 49.848 93 HG3 ARG 13 HG1 ARG 13 36.716 55.212 49.643 94 HD2 ARG 13 HD2 ARG 13 38.443 55.398 51.114 95 HD3 ARG 13 HD1 ARG 13 37.112 55.299 52.277 96 HE ARG 13 HE ARG 13 38.150 52.698 51.544 97 HH11 ARG 13 HH11 ARG 13 39.075 55.396 53.654 98 HH12 ARG 13 HH12 ARG 13 39.985 54.333 54.698 99 HH21 ARG 13 HH21 ARG 13 39.228 51.470 52.844 100 HH22 ARG 13 HH22 ARG 13 40.031 52.056 54.278 101 H THR 14 HN THR 14 32.690 52.198 50.814 102 HA THR 14 HA THR 14 31.061 53.364 53.016 103 HB THR 14 HB THR 14 29.488 53.980 51.021 104 HG1 THR 14 HG1 THR 14 30.572 53.184 49.334 105 HG21 THR 14 HG21 THR 14 30.667 55.616 52.512 106 HG22 THR 14 HG22 THR 14 30.500 56.166 50.836 107 HG23 THR 14 HG23 THR 14 32.064 55.557 51.408 108 H GLU 15 HN GLU 15 31.454 50.589 50.911 109 HA GLU 15 HA GLU 15 31.274 48.580 51.900 110 HB2 GLU 15 HB2 GLU 15 28.920 49.533 53.577 111 HB3 GLU 15 HB1 GLU 15 29.663 47.941 53.605 112 HG2 GLU 15 HG2 GLU 15 31.814 48.871 54.317 113 HG3 GLU 15 HG1 GLU 15 31.170 50.504 54.277 114 H ASP 16 HN ASP 16 29.112 50.278 50.089 115 HA ASP 16 HA ASP 16 27.734 48.009 48.827 116 HB2 ASP 16 HB2 ASP 16 26.963 49.737 47.311 117 HB3 ASP 16 HB1 ASP 16 26.668 50.233 48.965 118 H ASP 17 HN ASP 17 30.690 49.851 48.662 119 HA ASP 17 HA ASP 17 31.566 48.742 46.100 120 HB2 ASP 17 HB2 ASP 17 33.496 50.112 46.335 121 HB3 ASP 17 HB1 ASP 17 32.056 51.068 46.592 122 H LEU 18 HN LEU 18 33.901 47.928 46.107 123 HA LEU 18 HA LEU 18 33.991 45.569 47.946 124 HB2 LEU 18 HB2 LEU 18 34.565 45.609 44.959 125 HB3 LEU 18 HB1 LEU 18 34.626 44.206 46.014 126 HG LEU 18 HG LEU 18 32.130 45.752 45.187 127 HD11 LEU 18 HD11 LEU 18 33.033 42.911 44.562 128 HD12 LEU 18 HD12 LEU 18 33.142 44.294 43.452 129 HD13 LEU 18 HD13 LEU 18 31.558 43.705 43.975 130 HD21 LEU 18 HD21 LEU 18 30.874 43.894 46.334 131 HD22 LEU 18 HD22 LEU 18 31.718 44.971 47.447 132 HD23 LEU 18 HD23 LEU 18 32.403 43.372 47.074 133 H SER 19 HN SER 19 36.081 44.723 48.403 134 HA SER 19 HA SER 19 38.316 46.668 47.997 135 HB2 SER 19 HB2 SER 19 38.191 44.213 49.776 136 HB3 SER 19 HB1 SER 19 39.566 45.309 49.596 137 HG SER 19 HG SER 19 37.142 45.702 50.878 138 H PHE 20 HN PHE 20 40.118 46.217 46.840 139 HA PHE 20 HA PHE 20 40.547 43.489 45.782 140 HB2 PHE 20 HB2 PHE 20 41.035 44.494 43.541 141 HB3 PHE 20 HB1 PHE 20 39.356 44.474 44.028 142 HD1 PHE 20 HD1 PHE 20 38.150 46.576 44.557 143 HD2 PHE 20 HD2 PHE 20 42.249 46.609 43.243 144 HE1 PHE 20 HE1 PHE 20 37.942 48.970 43.996 145 HE2 PHE 20 HE2 PHE 20 42.037 49.014 42.653 146 HZ PHE 20 HZ PHE 20 39.870 50.195 43.002 147 H HIS 21 HN HIS 21 42.556 43.161 44.849 148 HA HIS 21 HA HIS 21 44.787 44.915 45.712 149 HB2 HIS 21 HB2 HIS 21 46.182 42.942 46.119 150 HB3 HIS 21 HB1 HIS 21 44.824 42.990 47.230 151 HD1 HIS 21 HD1 HIS 21 46.048 40.997 44.164 152 HD2 HIS 21 HD2 HIS 21 43.053 40.983 47.104 153 HE1 HIS 21 HE1 HIS 21 44.864 38.759 43.965 154 H LYS 22 HN LYS 22 46.599 44.762 44.280 155 HA LYS 22 HA LYS 22 46.088 44.704 41.515 156 HB2 LYS 22 HB2 LYS 22 47.962 45.796 42.680 157 HB3 LYS 22 HB1 LYS 22 48.679 44.229 43.047 158 HG2 LYS 22 HG2 LYS 22 49.066 43.805 40.661 159 HG3 LYS 22 HG1 LYS 22 48.172 45.281 40.232 160 HD2 LYS 22 HD2 LYS 22 49.857 46.620 41.556 161 HD3 LYS 22 HD1 LYS 22 50.744 45.137 41.875 162 HE2 LYS 22 HE2 LYS 22 51.800 46.402 40.110 163 HE3 LYS 22 HE1 LYS 22 51.231 44.862 39.481 164 HZ1 LYS 22 HZ1 LYS 22 49.660 47.350 39.220 165 HZ2 LYS 22 HZ2 LYS 22 49.452 45.966 38.384 166 HZ3 LYS 22 HZ3 LYS 22 50.758 46.908 38.092 167 H GLY 23 HN GLY 23 45.669 43.114 40.187 168 HA2 GLY 23 HA2 GLY 23 45.997 40.988 39.124 169 HA3 GLY 23 HA1 GLY 23 46.517 40.285 40.671 170 H GLU 24 HN GLU 24 43.853 41.866 41.729 171 HA GLU 24 HA GLU 24 42.113 39.600 41.543 172 HB2 GLU 24 HB2 GLU 24 41.977 41.089 43.450 173 HB3 GLU 24 HB1 GLU 24 41.591 42.451 42.406 174 HG2 GLU 24 HG2 GLU 24 39.623 41.738 43.550 175 HG3 GLU 24 HG1 GLU 24 39.412 41.484 41.841 176 H LYS 25 HN LYS 25 40.240 39.325 40.443 177 HA LYS 25 HA LYS 25 40.135 40.595 37.750 178 HB2 LYS 25 HB2 LYS 25 39.694 37.762 38.725 179 HB3 LYS 25 HB1 LYS 25 39.270 38.284 37.098 180 HG2 LYS 25 HG2 LYS 25 41.430 38.383 36.371 181 HG3 LYS 25 HG1 LYS 25 42.073 38.956 37.911 182 HD2 LYS 25 HD2 LYS 25 41.951 36.740 38.888 183 HD3 LYS 25 HD1 LYS 25 41.097 36.111 37.481 184 HE2 LYS 25 HE2 LYS 25 43.389 35.371 37.447 185 HE3 LYS 25 HE1 LYS 25 43.081 36.427 36.076 186 HZ1 LYS 25 HZ1 LYS 25 45.217 36.796 37.352 187 HZ2 LYS 25 HZ2 LYS 25 44.314 37.482 38.550 188 HZ3 LYS 25 HZ3 LYS 25 44.344 38.114 37.051 189 H PHE 26 HN PHE 26 38.392 41.279 36.966 190 HA PHE 26 HA PHE 26 35.811 41.288 38.487 191 HB2 PHE 26 HB2 PHE 26 37.502 43.478 37.228 192 HB3 PHE 26 HB1 PHE 26 35.789 43.704 37.476 193 HD1 PHE 26 HD1 PHE 26 34.793 43.801 39.706 194 HD2 PHE 26 HD2 PHE 26 39.062 43.530 39.159 195 HE1 PHE 26 HE1 PHE 26 35.145 44.629 42.021 196 HE2 PHE 26 HE2 PHE 26 39.404 44.350 41.477 197 HZ PHE 26 HZ PHE 26 37.441 44.919 42.900 198 H GLN 27 HN GLN 27 33.926 41.481 37.311 199 HA GLN 27 HA GLN 27 34.113 41.949 34.403 200 HB2 GLN 27 HB2 GLN 27 32.260 40.493 33.956 201 HB3 GLN 27 HB1 GLN 27 33.561 39.586 34.740 202 HG2 GLN 27 HG2 GLN 27 32.297 39.780 36.918 203 HG3 GLN 27 HG1 GLN 27 30.942 40.460 35.995 204 HE21 GLN 27 HE21 GLN 27 31.273 38.634 33.620 205 HE22 GLN 27 HE22 GLN 27 30.796 37.054 34.232 206 H ILE 28 HN ILE 28 32.480 43.271 33.562 207 HA ILE 28 HA ILE 28 31.504 45.226 35.579 208 HB ILE 28 HB ILE 28 32.036 45.697 32.632 209 HG12 ILE 28 HG12 ILE 28 34.206 45.137 33.430 210 HG13 ILE 28 HG11 ILE 28 34.118 46.871 33.245 211 HG21 ILE 28 HG21 ILE 28 31.661 47.610 34.975 212 HG22 ILE 28 HG22 ILE 28 30.520 47.311 33.649 213 HG23 ILE 28 HG23 ILE 28 32.074 48.076 33.313 214 HD11 ILE 28 HD11 ILE 28 34.040 45.333 35.876 215 HD12 ILE 28 HD12 ILE 28 33.823 47.094 35.740 216 HD13 ILE 28 HD13 ILE 28 35.353 46.343 35.252 217 H LEU 29 HN LEU 29 29.437 45.388 35.857 218 HA LEU 29 HA LEU 29 27.498 43.851 34.264 219 HB2 LEU 29 HB2 LEU 29 27.192 45.570 36.775 220 HB3 LEU 29 HB1 LEU 29 25.984 44.485 36.127 221 HG LEU 29 HG LEU 29 28.682 43.571 37.230 222 HD11 LEU 29 HD11 LEU 29 27.316 44.593 38.992 223 HD12 LEU 29 HD12 LEU 29 27.354 42.836 39.199 224 HD13 LEU 29 HD13 LEU 29 25.915 43.619 38.512 225 HD21 LEU 29 HD21 LEU 29 27.728 41.986 35.606 226 HD22 LEU 29 HD22 LEU 29 26.171 42.020 36.467 227 HD23 LEU 29 HD23 LEU 29 27.609 41.335 37.250 228 H ASN 30 HN ASN 30 28.275 47.236 35.045 229 HA ASN 30 HA ASN 30 26.729 48.445 33.009 230 HB2 ASN 30 HB2 ASN 30 24.766 47.629 34.257 231 HB3 ASN 30 HB1 ASN 30 25.417 48.312 35.749 232 HD21 ASN 30 HD21 ASN 30 23.923 49.900 36.207 233 HD22 ASN 30 HD22 ASN 30 23.636 51.258 35.126 234 H SER 31 HN SER 31 27.511 50.432 32.727 235 HA SER 31 HA SER 31 29.163 51.709 34.886 236 HB2 SER 31 HB2 SER 31 29.561 51.723 31.878 237 HB3 SER 31 HB1 SER 31 30.640 52.424 33.095 238 HG SER 31 HG SER 31 31.402 50.398 32.607 239 H SER 32 HN SER 32 26.222 52.251 33.940 240 HA SER 32 HA SER 32 26.105 54.553 32.385 241 HB2 SER 32 HB2 SER 32 23.748 54.731 33.410 242 HB3 SER 32 HB1 SER 32 24.192 53.263 32.524 243 HG SER 32 HG SER 32 23.990 53.611 35.293 244 H GLU 33 HN GLU 33 26.626 54.516 35.929 245 HA GLU 33 HA GLU 33 26.381 57.436 36.051 246 HB2 GLU 33 HB2 GLU 33 26.576 55.163 38.001 247 HB3 GLU 33 HB1 GLU 33 27.151 56.739 38.524 248 HG2 GLU 33 HG2 GLU 33 24.784 56.404 39.105 249 HG3 GLU 33 HG1 GLU 33 25.067 57.795 38.081 250 H GLY 34 HN GLY 34 28.795 55.523 34.946 251 HA2 GLY 34 HA2 GLY 34 30.659 56.207 33.907 252 HA3 GLY 34 HA1 GLY 34 30.351 57.835 34.544 253 H ASP 35 HN ASP 35 30.731 57.559 37.170 254 HA ASP 35 HA ASP 35 33.680 57.371 37.333 255 HB2 ASP 35 HB2 ASP 35 32.316 59.451 37.815 256 HB3 ASP 35 HB1 ASP 35 31.667 58.636 39.227 257 H TRP 36 HN TRP 36 30.808 55.987 38.839 258 HA TRP 36 HA TRP 36 32.508 53.862 40.049 259 HB2 TRP 36 HB2 TRP 36 29.903 54.937 41.206 260 HB3 TRP 36 HB1 TRP 36 30.773 53.526 41.775 261 HD1 TRP 36 HD1 TRP 36 31.150 57.333 41.597 262 HE1 TRP 36 HE1 TRP 36 32.593 58.146 43.537 263 HE3 TRP 36 HE3 TRP 36 32.470 52.797 43.576 264 HZ2 TRP 36 HZ2 TRP 36 34.101 56.993 45.706 265 HZ3 TRP 36 HZ3 TRP 36 33.923 52.694 45.588 266 HH2 TRP 36 HH2 TRP 36 34.737 54.777 46.657 267 H TRP 37 HN TRP 37 32.062 51.933 39.109 268 HA TRP 37 HA TRP 37 29.539 51.619 37.549 269 HB2 TRP 37 HB2 TRP 37 32.070 49.963 37.460 270 HB3 TRP 37 HB1 TRP 37 30.718 49.888 36.352 271 HD1 TRP 37 HD1 TRP 37 30.881 53.342 36.242 272 HE1 TRP 37 HE1 TRP 37 32.590 54.289 34.616 273 HE3 TRP 37 HE3 TRP 37 33.801 49.205 35.637 274 HZ2 TRP 37 HZ2 TRP 37 34.798 53.325 33.019 275 HZ3 TRP 37 HZ3 TRP 37 35.718 49.242 34.049 276 HH2 TRP 37 HH2 TRP 37 36.214 51.288 32.732 277 H GLU 38 HN GLU 38 28.456 49.639 37.540 278 HA GLU 38 HA GLU 38 28.467 48.073 40.032 279 HB2 GLU 38 HB2 GLU 38 26.708 47.868 37.561 280 HB3 GLU 38 HB1 GLU 38 26.549 46.914 39.044 281 HG2 GLU 38 HG2 GLU 38 26.179 49.011 40.340 282 HG3 GLU 38 HG1 GLU 38 26.243 49.939 38.843 283 H VAL 39 HN VAL 39 29.519 46.413 40.178 284 HA VAL 39 HA VAL 39 30.546 44.739 37.917 285 HB VAL 39 HB VAL 39 32.766 44.619 38.893 286 HG11 VAL 39 HG11 VAL 39 33.587 46.754 38.264 287 HG12 VAL 39 HG12 VAL 39 32.033 47.548 38.596 288 HG13 VAL 39 HG13 VAL 39 32.180 46.416 37.240 289 HG21 VAL 39 HG21 VAL 39 31.891 46.667 40.968 290 HG22 VAL 39 HG22 VAL 39 33.519 45.995 40.733 291 HG23 VAL 39 HG23 VAL 39 32.211 44.949 41.292 292 H ARG 40 HN ARG 40 31.720 42.845 38.668 293 HA ARG 40 HA ARG 40 30.852 41.546 41.155 294 HB2 ARG 40 HB2 ARG 40 29.219 40.887 39.371 295 HB3 ARG 40 HB1 ARG 40 30.548 40.283 38.388 296 HG2 ARG 40 HG2 ARG 40 31.063 38.587 40.170 297 HG3 ARG 40 HG1 ARG 40 29.691 39.210 41.111 298 HD2 ARG 40 HD2 ARG 40 28.184 38.676 39.191 299 HD3 ARG 40 HD1 ARG 40 29.547 38.001 38.308 300 HE ARG 40 HE ARG 40 28.444 36.950 40.893 301 HH11 ARG 40 HH11 ARG 40 30.242 36.191 37.930 302 HH12 ARG 40 HH12 ARG 40 30.077 34.476 38.175 303 HH21 ARG 40 HH21 ARG 40 28.185 34.750 41.083 304 HH22 ARG 40 HH22 ARG 40 28.944 33.676 39.944 305 H SER 41 HN SER 41 32.500 40.220 41.958 306 HA SER 41 HA SER 41 35.143 40.140 40.759 307 HB2 SER 41 HB2 SER 41 35.065 40.041 43.125 308 HB3 SER 41 HB1 SER 41 33.781 38.821 43.116 309 HG SER 41 HG SER 41 36.416 38.452 43.079 310 H LEU 42 HN LEU 42 35.805 38.783 39.326 311 HA LEU 42 HA LEU 42 34.214 36.575 38.290 312 HB2 LEU 42 HB2 LEU 42 36.050 38.050 37.103 313 HB3 LEU 42 HB1 LEU 42 37.199 36.945 37.849 314 HG LEU 42 HG LEU 42 35.926 35.038 36.701 315 HD11 LEU 42 HD11 LEU 42 34.525 35.671 34.736 316 HD12 LEU 42 HD12 LEU 42 34.627 37.377 35.218 317 HD13 LEU 42 HD13 LEU 42 33.779 36.204 36.243 318 HD21 LEU 42 HD21 LEU 42 37.209 37.195 34.967 319 HD22 LEU 42 HD22 LEU 42 36.965 35.501 34.489 320 HD23 LEU 42 HD23 LEU 42 38.051 35.891 35.832 321 H THR 43 HN THR 43 36.984 36.803 40.462 322 HA THR 43 HA THR 43 37.587 34.111 40.833 323 HB THR 43 HB THR 43 37.990 36.521 42.627 324 HG1 THR 43 HG1 THR 43 39.616 36.818 41.375 325 HG21 THR 43 HG21 THR 43 38.502 34.541 43.984 326 HG22 THR 43 HG22 THR 43 39.996 35.327 43.465 327 HG23 THR 43 HG23 THR 43 39.455 33.845 42.646 328 H THR 44 HN THR 44 35.400 36.078 43.019 329 HA THR 44 HA THR 44 34.630 33.586 44.400 330 HB THR 44 HB THR 44 33.675 35.162 46.038 331 HG1 THR 44 HG1 THR 44 34.397 37.417 45.597 332 HG21 THR 44 HG21 THR 44 36.538 35.936 45.313 333 HG22 THR 44 HG22 THR 44 36.058 34.524 46.283 334 HG23 THR 44 HG23 THR 44 35.737 36.156 46.881 335 H GLY 45 HN GLY 45 33.189 36.299 42.652 336 HA2 GLY 45 HA2 GLY 45 31.154 36.170 41.368 337 HA3 GLY 45 HA1 GLY 45 30.533 34.930 42.495 338 H GLU 46 HN GLU 46 32.127 37.346 44.259 339 HA GLU 46 HA GLU 46 29.715 38.429 45.377 340 HB2 GLU 46 HB2 GLU 46 31.809 38.176 46.650 341 HB3 GLU 46 HB1 GLU 46 32.607 39.344 45.600 342 HG2 GLU 46 HG2 GLU 46 32.041 40.389 47.693 343 HG3 GLU 46 HG1 GLU 46 31.099 41.133 46.420 344 H THR 47 HN THR 47 28.816 40.457 45.199 345 HA THR 47 HA THR 47 29.265 41.945 42.642 346 HB THR 47 HB THR 47 26.736 42.340 42.804 347 HG1 THR 47 HG1 THR 47 26.774 41.419 45.012 348 HG21 THR 47 HG21 THR 47 27.669 39.480 42.348 349 HG22 THR 47 HG22 THR 47 27.647 40.795 41.135 350 HG23 THR 47 HG23 THR 47 26.129 40.177 41.812 351 H GLY 48 HN GLY 48 29.060 44.127 42.635 352 HA2 GLY 48 HA2 GLY 48 27.945 45.886 44.492 353 HA3 GLY 48 HA1 GLY 48 29.549 45.572 45.101 354 H TYR 49 HN TYR 49 30.117 47.702 44.833 355 HA TYR 49 HA TYR 49 30.457 48.799 42.080 356 HB2 TYR 49 HB2 TYR 49 30.117 50.085 44.811 357 HB3 TYR 49 HB1 TYR 49 30.710 50.990 43.440 358 HD1 TYR 49 HD1 TYR 49 29.311 51.549 41.529 359 HD2 TYR 49 HD2 TYR 49 27.742 49.406 44.920 360 HE1 TYR 49 HE1 TYR 49 27.010 52.168 40.841 361 HE2 TYR 49 HE2 TYR 49 25.426 50.019 44.237 362 HH TYR 49 HH TYR 49 24.772 52.055 41.372 363 H ILE 50 HN ILE 50 32.291 50.519 42.087 364 HA ILE 50 HA ILE 50 34.694 50.016 43.519 365 HB ILE 50 HB ILE 50 36.082 49.551 41.386 366 HG12 ILE 50 HG12 ILE 50 34.998 47.874 39.841 367 HG13 ILE 50 HG11 ILE 50 33.428 48.415 40.408 368 HG21 ILE 50 HG21 ILE 50 35.812 48.044 43.372 369 HG22 ILE 50 HG22 ILE 50 36.194 47.246 41.843 370 HG23 ILE 50 HG23 ILE 50 34.540 47.186 42.473 371 HD11 ILE 50 HD11 ILE 50 33.710 50.567 39.386 372 HD12 ILE 50 HD12 ILE 50 34.273 49.375 38.213 373 HD13 ILE 50 HD13 ILE 50 35.463 50.295 39.148 374 HA PRO 51 HA PRO 51 35.339 54.107 41.695 375 HB2 PRO 51 HB2 PRO 51 37.837 54.717 42.513 376 HB3 PRO 51 HB1 PRO 51 36.469 54.599 43.658 377 HG2 PRO 51 HG2 PRO 51 38.592 52.513 43.079 378 HG3 PRO 51 HG1 PRO 51 37.952 53.051 44.660 379 HD2 PRO 51 HD2 PRO 51 37.075 50.794 43.270 380 HD3 PRO 51 HD1 PRO 51 36.064 51.700 44.441 381 H SER 52 HN SER 52 35.182 53.532 39.584 382 HA SER 52 HA SER 52 36.705 51.949 37.994 383 HB2 SER 52 HB2 SER 52 35.281 54.454 37.057 384 HB3 SER 52 HB1 SER 52 35.507 52.918 36.204 385 HG SER 52 HG SER 52 33.465 52.948 37.115 386 HA PRO 53 HA PRO 53 39.469 55.441 36.321 387 HB2 PRO 53 HB2 PRO 53 39.890 57.781 37.656 388 HB3 PRO 53 HB1 PRO 53 38.516 57.529 36.539 389 HG2 PRO 53 HG2 PRO 53 38.525 57.265 39.559 390 HG3 PRO 53 HG1 PRO 53 37.371 58.177 38.532 391 HD2 PRO 53 HD2 PRO 53 36.840 55.686 39.438 392 HD3 PRO 53 HD1 PRO 53 36.318 56.203 37.807 393 H TYR 54 HN TYR 54 39.399 54.391 39.603 394 HA TYR 54 HA TYR 54 42.340 54.632 39.933 395 HB2 TYR 54 HB2 TYR 54 40.829 55.273 41.799 396 HB3 TYR 54 HB1 TYR 54 40.181 53.636 41.833 397 HD1 TYR 54 HD1 TYR 54 43.453 55.477 41.946 398 HD2 TYR 54 HD2 TYR 54 41.197 52.058 43.291 399 HE1 TYR 54 HE1 TYR 54 45.369 54.778 43.368 400 HE2 TYR 54 HE2 TYR 54 43.106 51.354 44.710 401 HH TYR 54 HH TYR 54 45.221 51.878 45.425 402 H LEU 55 HN LEU 55 39.789 52.126 39.891 403 HA LEU 55 HA LEU 55 41.384 49.807 40.063 404 HB2 LEU 55 HB2 LEU 55 38.914 49.904 40.261 405 HB3 LEU 55 HB1 LEU 55 38.782 50.361 38.568 406 HG LEU 55 HG LEU 55 39.723 48.142 37.905 407 HD11 LEU 55 HD11 LEU 55 39.435 47.437 40.861 408 HD12 LEU 55 HD12 LEU 55 40.988 47.632 40.018 409 HD13 LEU 55 HD13 LEU 55 39.878 46.335 39.543 410 HD21 LEU 55 HD21 LEU 55 37.282 48.532 38.032 411 HD22 LEU 55 HD22 LEU 55 37.296 48.018 39.734 412 HD23 LEU 55 HD23 LEU 55 37.692 46.859 38.447 413 H ALA 56 HN ALA 56 40.398 51.637 37.160 414 HA ALA 56 HA ALA 56 42.194 50.149 35.374 415 HB1 ALA 56 HB1 ALA 56 39.891 50.832 34.684 416 HB2 ALA 56 HB2 ALA 56 41.122 51.591 33.661 417 HB3 ALA 56 HB3 ALA 56 40.332 52.535 34.932 Start of MODEL 5 1 H SER 1 H SER 1 30.801 45.388 31.313 2 HA SER 1 HA SER 1 29.809 43.211 30.933 3 HB2 SER 1 HB2 SER 1 29.144 42.379 28.934 4 HB3 SER 1 HB1 SER 1 28.547 44.039 28.830 5 HG SER 1 HG SER 1 30.348 44.515 27.580 6 H THR 2 HN THR 2 32.370 45.169 29.888 7 HA THR 2 HA THR 2 34.318 43.202 29.082 8 HB THR 2 HB THR 2 35.870 45.225 29.560 9 HG1 THR 2 HG1 THR 2 34.795 47.148 29.849 10 HG21 THR 2 HG21 THR 2 35.120 44.689 27.293 11 HG22 THR 2 HG22 THR 2 35.126 46.438 27.547 12 HG23 THR 2 HG23 THR 2 33.587 45.549 27.567 13 H LEU 3 HN LEU 3 36.147 42.502 30.185 14 HA LEU 3 HA LEU 3 36.020 42.632 33.145 15 HB2 LEU 3 HB2 LEU 3 36.785 40.490 33.218 16 HB3 LEU 3 HB1 LEU 3 35.813 40.432 31.770 17 HG LEU 3 HG LEU 3 38.846 40.548 31.966 18 HD11 LEU 3 HD11 LEU 3 37.600 38.381 32.465 19 HD12 LEU 3 HD12 LEU 3 38.796 38.294 31.163 20 HD13 LEU 3 HD13 LEU 3 37.066 38.389 30.775 21 HD21 LEU 3 HD21 LEU 3 38.923 40.237 29.512 22 HD22 LEU 3 HD22 LEU 3 38.223 41.804 29.918 23 HD23 LEU 3 HD23 LEU 3 37.166 40.465 29.416 24 H PHE 4 HN PHE 4 38.051 42.358 34.221 25 HA PHE 4 HA PHE 4 40.458 43.564 33.133 26 HB2 PHE 4 HB2 PHE 4 38.594 45.420 33.890 27 HB3 PHE 4 HB1 PHE 4 39.403 45.170 35.423 28 HD1 PHE 4 HD1 PHE 4 40.236 45.642 31.775 29 HD2 PHE 4 HD2 PHE 4 41.236 46.630 35.850 30 HE1 PHE 4 HE1 PHE 4 42.017 47.158 30.969 31 HE2 PHE 4 HE2 PHE 4 43.003 48.168 35.034 32 HZ PHE 4 HZ PHE 4 43.406 48.425 32.595 33 H GLU 5 HN GLU 5 42.197 43.796 34.707 34 HA GLU 5 HA GLU 5 41.920 42.027 37.094 35 HB2 GLU 5 HB2 GLU 5 44.477 42.553 35.535 36 HB3 GLU 5 HB1 GLU 5 44.284 41.546 36.976 37 HG2 GLU 5 HG2 GLU 5 42.662 40.112 35.651 38 HG3 GLU 5 HG1 GLU 5 43.110 41.025 34.216 39 H ALA 6 HN ALA 6 42.564 42.910 39.010 40 HA ALA 6 HA ALA 6 42.541 45.649 39.474 41 HB1 ALA 6 HB1 ALA 6 41.911 44.029 41.132 42 HB2 ALA 6 HB2 ALA 6 43.342 44.865 41.772 43 HB3 ALA 6 HB3 ALA 6 43.499 43.243 41.063 44 H LEU 7 HN LEU 7 43.919 47.153 38.961 45 HA LEU 7 HA LEU 7 46.706 46.713 38.310 46 HB2 LEU 7 HB2 LEU 7 45.236 49.305 38.973 47 HB3 LEU 7 HB1 LEU 7 46.839 49.178 38.264 48 HG LEU 7 HG LEU 7 44.175 48.508 36.987 49 HD11 LEU 7 HD11 LEU 7 46.435 50.414 36.233 50 HD12 LEU 7 HD12 LEU 7 44.922 50.878 37.034 51 HD13 LEU 7 HD13 LEU 7 44.889 50.240 35.379 52 HD21 LEU 7 HD21 LEU 7 46.969 47.848 35.951 53 HD22 LEU 7 HD22 LEU 7 45.523 47.915 34.921 54 HD23 LEU 7 HD23 LEU 7 45.619 46.721 36.219 55 H TYR 8 HN TYR 8 45.043 47.801 41.246 56 HA TYR 8 HA TYR 8 47.321 47.143 42.900 57 HB2 TYR 8 HB2 TYR 8 47.559 49.357 43.914 58 HB3 TYR 8 HB1 TYR 8 48.051 49.325 42.243 59 HD1 TYR 8 HD1 TYR 8 46.762 50.507 40.491 60 HD2 TYR 8 HD2 TYR 8 45.680 50.742 44.653 61 HE1 TYR 8 HE1 TYR 8 45.390 52.527 40.018 62 HE2 TYR 8 HE2 TYR 8 44.344 52.782 44.197 63 HH TYR 8 HH TYR 8 43.672 54.301 42.596 64 H ASP 9 HN ASP 9 46.866 47.256 45.160 65 HA ASP 9 HA ASP 9 44.405 46.023 45.751 66 HB2 ASP 9 HB2 ASP 9 46.447 47.119 47.709 67 HB3 ASP 9 HB1 ASP 9 45.303 45.812 47.979 68 H TYR 10 HN TYR 10 42.735 46.564 47.164 69 HA TYR 10 HA TYR 10 42.211 49.363 47.925 70 HB2 TYR 10 HB2 TYR 10 41.741 49.208 45.482 71 HB3 TYR 10 HB1 TYR 10 40.625 47.887 45.783 72 HD1 TYR 10 HD1 TYR 10 41.263 51.509 46.407 73 HD2 TYR 10 HD2 TYR 10 38.351 48.335 46.443 74 HE1 TYR 10 HE1 TYR 10 39.456 53.173 46.810 75 HE2 TYR 10 HE2 TYR 10 36.548 49.985 46.877 76 HH TYR 10 HH TYR 10 36.071 52.199 47.332 77 H GLU 11 HN GLU 11 40.202 49.610 49.181 78 HA GLU 11 HA GLU 11 38.898 47.211 50.214 79 HB2 GLU 11 HB2 GLU 11 41.149 47.271 51.349 80 HB3 GLU 11 HB1 GLU 11 40.735 48.846 52.013 81 HG2 GLU 11 HG2 GLU 11 40.381 47.082 53.654 82 HG3 GLU 11 HG1 GLU 11 38.850 47.843 53.255 83 H ALA 12 HN ALA 12 36.947 47.656 50.924 84 HA ALA 12 HA ALA 12 35.803 49.825 49.788 85 HB1 ALA 12 HB1 ALA 12 33.685 48.924 50.718 86 HB2 ALA 12 HB2 ALA 12 34.627 47.894 51.816 87 HB3 ALA 12 HB3 ALA 12 34.740 47.667 50.058 88 H ARG 13 HN ARG 13 35.415 51.780 50.183 89 HA ARG 13 HA ARG 13 36.079 53.059 52.703 90 HB2 ARG 13 HB2 ARG 13 35.088 54.176 50.054 91 HB3 ARG 13 HB1 ARG 13 35.696 55.142 51.386 92 HG2 ARG 13 HG2 ARG 13 37.361 53.126 49.804 93 HG3 ARG 13 HG1 ARG 13 37.271 54.852 49.512 94 HD2 ARG 13 HD2 ARG 13 39.162 54.845 50.728 95 HD3 ARG 13 HD1 ARG 13 38.014 55.047 52.057 96 HE ARG 13 HE ARG 13 38.521 52.260 51.497 97 HH11 ARG 13 HH11 ARG 13 40.185 54.989 53.037 98 HH12 ARG 13 HH12 ARG 13 41.235 53.924 53.933 99 HH21 ARG 13 HH21 ARG 13 39.834 51.012 52.620 100 HH22 ARG 13 HH22 ARG 13 41.036 51.657 53.717 101 H THR 14 HN THR 14 33.030 52.658 50.820 102 HA THR 14 HA THR 14 31.500 54.224 52.839 103 HB THR 14 HB THR 14 29.802 54.532 51.325 104 HG1 THR 14 HG1 THR 14 30.871 52.507 49.716 105 HG21 THR 14 HG21 THR 14 32.259 54.491 49.513 106 HG22 THR 14 HG22 THR 14 31.714 55.844 50.536 107 HG23 THR 14 HG23 THR 14 30.721 55.293 49.177 108 H GLU 15 HN GLU 15 31.785 51.045 51.437 109 HA GLU 15 HA GLU 15 31.564 49.023 52.462 110 HB2 GLU 15 HB2 GLU 15 29.352 50.140 54.230 111 HB3 GLU 15 HB1 GLU 15 29.875 48.465 54.146 112 HG2 GLU 15 HG2 GLU 15 32.139 49.033 54.848 113 HG3 GLU 15 HG1 GLU 15 31.745 50.746 54.889 114 H ASP 16 HN ASP 16 29.450 50.956 50.714 115 HA ASP 16 HA ASP 16 27.764 48.762 49.685 116 HB2 ASP 16 HB2 ASP 16 27.090 51.230 49.951 117 HB3 ASP 16 HB1 ASP 16 28.160 51.570 48.600 118 H ASP 17 HN ASP 17 30.876 50.053 49.171 119 HA ASP 17 HA ASP 17 31.219 49.168 46.401 120 HB2 ASP 17 HB2 ASP 17 33.387 50.315 46.578 121 HB3 ASP 17 HB1 ASP 17 31.977 51.321 46.831 122 H LEU 18 HN LEU 18 33.548 48.233 46.020 123 HA LEU 18 HA LEU 18 33.483 45.575 47.360 124 HB2 LEU 18 HB2 LEU 18 32.369 45.575 45.124 125 HB3 LEU 18 HB1 LEU 18 33.830 46.250 44.409 126 HG LEU 18 HG LEU 18 35.088 44.193 44.932 127 HD11 LEU 18 HD11 LEU 18 33.906 43.408 46.965 128 HD12 LEU 18 HD12 LEU 18 33.899 42.164 45.716 129 HD13 LEU 18 HD13 LEU 18 32.435 43.131 46.008 130 HD21 LEU 18 HD21 LEU 18 32.473 43.670 43.472 131 HD22 LEU 18 HD22 LEU 18 33.965 42.714 43.332 132 HD23 LEU 18 HD23 LEU 18 33.946 44.397 42.783 133 H SER 19 HN SER 19 35.417 44.497 47.582 134 HA SER 19 HA SER 19 37.848 46.218 47.465 135 HB2 SER 19 HB2 SER 19 37.151 43.895 49.278 136 HB3 SER 19 HB1 SER 19 38.508 45.028 49.441 137 HG SER 19 HG SER 19 36.902 45.752 50.667 138 H PHE 20 HN PHE 20 39.914 45.358 47.048 139 HA PHE 20 HA PHE 20 40.056 42.764 45.647 140 HB2 PHE 20 HB2 PHE 20 40.425 45.561 44.512 141 HB3 PHE 20 HB1 PHE 20 41.161 44.170 43.747 142 HD1 PHE 20 HD1 PHE 20 39.458 42.060 43.484 143 HD2 PHE 20 HD2 PHE 20 38.366 46.235 43.529 144 HE1 PHE 20 HE1 PHE 20 37.418 41.538 42.193 145 HE2 PHE 20 HE2 PHE 20 36.319 45.703 42.227 146 HZ PHE 20 HZ PHE 20 35.838 43.361 41.564 147 H HIS 21 HN HIS 21 42.211 42.487 44.664 148 HA HIS 21 HA HIS 21 44.500 43.328 46.304 149 HB2 HIS 21 HB2 HIS 21 43.855 41.283 47.398 150 HB3 HIS 21 HB1 HIS 21 43.500 40.481 45.878 151 HD1 HIS 21 HD1 HIS 21 46.832 42.170 46.958 152 HD2 HIS 21 HD2 HIS 21 45.178 38.534 45.695 153 HE1 HIS 21 HE1 HIS 21 48.763 40.527 46.810 154 H LYS 22 HN LYS 22 46.400 43.390 44.983 155 HA LYS 22 HA LYS 22 45.994 43.893 42.264 156 HB2 LYS 22 HB2 LYS 22 48.400 43.949 42.005 157 HB3 LYS 22 HB1 LYS 22 47.854 44.844 43.416 158 HG2 LYS 22 HG2 LYS 22 48.686 43.151 44.935 159 HG3 LYS 22 HG1 LYS 22 48.964 42.018 43.610 160 HD2 LYS 22 HD2 LYS 22 51.094 42.889 44.245 161 HD3 LYS 22 HD1 LYS 22 50.680 43.494 42.656 162 HE2 LYS 22 HE2 LYS 22 51.686 45.299 43.756 163 HE3 LYS 22 HE1 LYS 22 49.970 45.681 43.745 164 HZ1 LYS 22 HZ1 LYS 22 51.146 46.054 45.902 165 HZ2 LYS 22 HZ2 LYS 22 51.317 44.434 46.076 166 HZ3 LYS 22 HZ3 LYS 22 49.826 45.127 46.014 167 H GLY 23 HN GLY 23 46.009 42.879 40.492 168 HA2 GLY 23 HA2 GLY 23 46.044 41.175 38.875 169 HA3 GLY 23 HA1 GLY 23 46.749 40.068 40.071 170 H GLU 24 HN GLU 24 43.980 41.062 41.664 171 HA GLU 24 HA GLU 24 42.501 38.707 41.034 172 HB2 GLU 24 HB2 GLU 24 41.750 41.268 42.483 173 HB3 GLU 24 HB1 GLU 24 40.620 39.942 42.264 174 HG2 GLU 24 HG2 GLU 24 43.305 39.615 43.642 175 HG3 GLU 24 HG1 GLU 24 41.782 39.944 44.469 176 H LYS 25 HN LYS 25 40.609 38.380 39.928 177 HA LYS 25 HA LYS 25 40.341 40.150 37.567 178 HB2 LYS 25 HB2 LYS 25 39.474 37.255 37.893 179 HB3 LYS 25 HB1 LYS 25 39.534 38.204 36.421 180 HG2 LYS 25 HG2 LYS 25 41.446 37.005 36.161 181 HG3 LYS 25 HG1 LYS 25 42.122 38.428 36.960 182 HD2 LYS 25 HD2 LYS 25 42.260 37.218 39.093 183 HD3 LYS 25 HD1 LYS 25 41.294 35.894 38.435 184 HE2 LYS 25 HE2 LYS 25 43.534 35.146 38.510 185 HE3 LYS 25 HE1 LYS 25 43.120 35.381 36.816 186 HZ1 LYS 25 HZ1 LYS 25 44.600 37.399 38.400 187 HZ2 LYS 25 HZ2 LYS 25 44.400 37.391 36.804 188 HZ3 LYS 25 HZ3 LYS 25 45.344 36.255 37.476 189 H PHE 26 HN PHE 26 38.572 41.226 37.092 190 HA PHE 26 HA PHE 26 35.932 40.505 38.224 191 HB2 PHE 26 HB2 PHE 26 35.562 42.768 38.998 192 HB3 PHE 26 HB1 PHE 26 36.956 42.060 39.780 193 HD1 PHE 26 HD1 PHE 26 35.830 44.630 37.345 194 HD2 PHE 26 HD2 PHE 26 39.188 43.006 39.514 195 HE1 PHE 26 HE1 PHE 26 37.134 46.685 36.878 196 HE2 PHE 26 HE2 PHE 26 40.488 45.054 39.026 197 HZ PHE 26 HZ PHE 26 39.464 46.900 37.711 198 H GLN 27 HN GLN 27 34.176 41.804 37.280 199 HA GLN 27 HA GLN 27 34.553 42.593 34.431 200 HB2 GLN 27 HB2 GLN 27 33.770 40.181 34.706 201 HB3 GLN 27 HB1 GLN 27 32.368 40.806 35.580 202 HG2 GLN 27 HG2 GLN 27 31.849 42.156 33.419 203 HG3 GLN 27 HG1 GLN 27 33.098 41.176 32.656 204 HE21 GLN 27 HE21 GLN 27 31.070 40.677 31.287 205 HE22 GLN 27 HE22 GLN 27 30.051 39.340 31.822 206 H ILE 28 HN ILE 28 33.075 44.118 33.778 207 HA ILE 28 HA ILE 28 31.699 45.712 35.894 208 HB ILE 28 HB ILE 28 32.263 46.556 33.029 209 HG12 ILE 28 HG12 ILE 28 34.448 46.421 33.949 210 HG13 ILE 28 HG11 ILE 28 33.979 48.103 33.888 211 HG21 ILE 28 HG21 ILE 28 31.720 48.831 33.946 212 HG22 ILE 28 HG22 ILE 28 31.282 48.061 35.487 213 HG23 ILE 28 HG23 ILE 28 30.366 47.702 34.010 214 HD11 ILE 28 HD11 ILE 28 33.475 48.022 36.359 215 HD12 ILE 28 HD12 ILE 28 35.164 47.673 35.945 216 HD13 ILE 28 HD13 ILE 28 34.074 46.346 36.380 217 H LEU 29 HN LEU 29 29.541 45.528 35.929 218 HA LEU 29 HA LEU 29 28.055 44.193 33.724 219 HB2 LEU 29 HB2 LEU 29 27.275 44.912 36.578 220 HB3 LEU 29 HB1 LEU 29 26.301 43.980 35.449 221 HG LEU 29 HG LEU 29 28.992 43.099 36.600 222 HD11 LEU 29 HD11 LEU 29 27.216 43.163 38.284 223 HD12 LEU 29 HD12 LEU 29 27.639 41.489 37.891 224 HD13 LEU 29 HD13 LEU 29 26.152 42.206 37.232 225 HD21 LEU 29 HD21 LEU 29 28.656 42.091 34.381 226 HD22 LEU 29 HD22 LEU 29 27.007 41.599 34.832 227 HD23 LEU 29 HD23 LEU 29 28.412 40.874 35.638 228 H ASN 30 HN ASN 30 28.345 47.270 35.416 229 HA ASN 30 HA ASN 30 26.930 48.621 33.246 230 HB2 ASN 30 HB2 ASN 30 25.077 48.076 34.851 231 HB3 ASN 30 HB1 ASN 30 25.943 48.985 36.095 232 HD21 ASN 30 HD21 ASN 30 23.870 50.195 36.149 233 HD22 ASN 30 HD22 ASN 30 23.638 51.530 35.020 234 H SER 31 HN SER 31 27.958 50.427 32.760 235 HA SER 31 HA SER 31 29.863 51.723 34.640 236 HB2 SER 31 HB2 SER 31 30.812 52.487 32.375 237 HB3 SER 31 HB1 SER 31 30.917 50.751 32.713 238 HG SER 31 HG SER 31 30.053 51.332 30.588 239 H SER 32 HN SER 32 26.761 52.283 33.357 240 HA SER 32 HA SER 32 27.288 54.913 32.226 241 HB2 SER 32 HB2 SER 32 24.786 53.223 32.403 242 HB3 SER 32 HB1 SER 32 24.906 54.771 31.542 243 HG SER 32 HG SER 32 25.358 52.889 30.226 244 H GLU 33 HN GLU 33 26.561 54.032 35.418 245 HA GLU 33 HA GLU 33 25.409 56.621 36.156 246 HB2 GLU 33 HB2 GLU 33 26.893 54.510 37.772 247 HB3 GLU 33 HB1 GLU 33 26.217 56.011 38.431 248 HG2 GLU 33 HG2 GLU 33 23.958 55.234 37.467 249 HG3 GLU 33 HG1 GLU 33 24.712 53.663 37.231 250 H GLY 34 HN GLY 34 28.471 55.547 35.022 251 HA2 GLY 34 HA2 GLY 34 30.178 56.778 34.196 252 HA3 GLY 34 HA1 GLY 34 29.419 58.242 34.855 253 H ASP 35 HN ASP 35 29.471 57.909 37.464 254 HA ASP 35 HA ASP 35 32.267 58.424 38.124 255 HB2 ASP 35 HB2 ASP 35 30.285 59.842 38.760 256 HB3 ASP 35 HB1 ASP 35 29.764 58.567 39.845 257 H TRP 36 HN TRP 36 29.755 56.124 39.228 258 HA TRP 36 HA TRP 36 31.896 54.241 40.111 259 HB2 TRP 36 HB2 TRP 36 29.206 54.680 41.461 260 HB3 TRP 36 HB1 TRP 36 30.327 53.377 41.819 261 HD1 TRP 36 HD1 TRP 36 30.276 57.219 41.952 262 HE1 TRP 36 HE1 TRP 36 31.676 58.018 43.919 263 HE3 TRP 36 HE3 TRP 36 31.992 52.685 43.597 264 HZ2 TRP 36 HZ2 TRP 36 33.268 56.844 46.028 265 HZ3 TRP 36 HZ3 TRP 36 33.449 52.564 45.604 266 HH2 TRP 36 HH2 TRP 36 34.073 54.622 46.834 267 H TRP 37 HN TRP 37 31.672 52.178 39.501 268 HA TRP 37 HA TRP 37 29.527 51.508 37.549 269 HB2 TRP 37 HB2 TRP 37 32.440 50.671 37.800 270 HB3 TRP 37 HB1 TRP 37 31.310 50.018 36.627 271 HD1 TRP 37 HD1 TRP 37 30.466 53.526 36.590 272 HE1 TRP 37 HE1 TRP 37 31.501 54.700 34.613 273 HE3 TRP 37 HE3 TRP 37 34.090 50.096 35.407 274 HZ2 TRP 37 HZ2 TRP 37 33.577 54.236 32.683 275 HZ3 TRP 37 HZ3 TRP 37 35.549 50.484 33.433 276 HH2 TRP 37 HH2 TRP 37 35.297 52.536 32.066 277 H GLU 38 HN GLU 38 28.554 49.580 37.599 278 HA GLU 38 HA GLU 38 28.535 47.977 40.064 279 HB2 GLU 38 HB2 GLU 38 27.011 47.627 37.450 280 HB3 GLU 38 HB1 GLU 38 26.841 46.622 38.886 281 HG2 GLU 38 HG2 GLU 38 26.085 48.565 40.203 282 HG3 GLU 38 HG1 GLU 38 26.230 49.600 38.782 283 H VAL 39 HN VAL 39 29.915 46.496 40.302 284 HA VAL 39 HA VAL 39 31.151 44.946 38.081 285 HB VAL 39 HB VAL 39 32.643 46.597 39.031 286 HG11 VAL 39 HG11 VAL 39 33.381 46.464 41.446 287 HG12 VAL 39 HG12 VAL 39 32.000 45.400 41.755 288 HG13 VAL 39 HG13 VAL 39 31.743 47.067 41.189 289 HG21 VAL 39 HG21 VAL 39 33.723 44.431 38.448 290 HG22 VAL 39 HG22 VAL 39 33.572 43.932 40.156 291 HG23 VAL 39 HG23 VAL 39 34.561 45.326 39.714 292 H ARG 40 HN ARG 40 31.890 42.878 38.555 293 HA ARG 40 HA ARG 40 31.279 41.674 41.146 294 HB2 ARG 40 HB2 ARG 40 30.524 39.573 40.350 295 HB3 ARG 40 HB1 ARG 40 29.471 40.814 39.682 296 HG2 ARG 40 HG2 ARG 40 30.679 40.622 37.491 297 HG3 ARG 40 HG1 ARG 40 31.683 39.331 38.185 298 HD2 ARG 40 HD2 ARG 40 29.706 37.957 38.611 299 HD3 ARG 40 HD1 ARG 40 28.651 39.236 37.982 300 HE ARG 40 HE ARG 40 30.360 38.777 35.891 301 HH11 ARG 40 HH11 ARG 40 28.222 36.575 37.677 302 HH12 ARG 40 HH12 ARG 40 27.968 35.587 36.260 303 HH21 ARG 40 HH21 ARG 40 29.988 37.528 34.205 304 HH22 ARG 40 HH22 ARG 40 28.972 36.106 34.284 305 H SER 41 HN SER 41 32.937 40.530 41.922 306 HA SER 41 HA SER 41 35.419 40.108 40.413 307 HB2 SER 41 HB2 SER 41 35.401 40.559 42.885 308 HB3 SER 41 HB1 SER 41 34.570 39.002 43.104 309 HG SER 41 HG SER 41 36.771 38.597 43.170 310 H LEU 42 HN LEU 42 36.115 38.112 39.732 311 HA LEU 42 HA LEU 42 34.024 36.077 39.132 312 HB2 LEU 42 HB2 LEU 42 36.834 36.414 38.007 313 HB3 LEU 42 HB1 LEU 42 35.562 35.370 37.389 314 HG LEU 42 HG LEU 42 35.690 38.413 37.299 315 HD11 LEU 42 HD11 LEU 42 35.547 36.304 35.112 316 HD12 LEU 42 HD12 LEU 42 37.001 37.193 35.610 317 HD13 LEU 42 HD13 LEU 42 35.645 38.062 34.871 318 HD21 LEU 42 HD21 LEU 42 33.357 37.869 37.779 319 HD22 LEU 42 HD22 LEU 42 33.348 36.623 36.513 320 HD23 LEU 42 HD23 LEU 42 33.508 38.342 36.086 321 H THR 43 HN THR 43 36.950 36.541 40.882 322 HA THR 43 HA THR 43 37.799 33.811 41.280 323 HB THR 43 HB THR 43 39.241 34.809 43.031 324 HG1 THR 43 HG1 THR 43 38.978 37.003 43.367 325 HG21 THR 43 HG21 THR 43 40.571 36.200 41.630 326 HG22 THR 43 HG22 THR 43 39.174 36.773 40.704 327 HG23 THR 43 HG23 THR 43 39.762 35.107 40.500 328 H THR 44 HN THR 44 36.116 36.038 43.615 329 HA THR 44 HA THR 44 35.094 33.884 45.218 330 HB THR 44 HB THR 44 34.678 35.925 46.658 331 HG1 THR 44 HG1 THR 44 35.337 37.847 45.850 332 HG21 THR 44 HG21 THR 44 36.911 34.817 46.811 333 HG22 THR 44 HG22 THR 44 36.957 36.558 47.123 334 HG23 THR 44 HG23 THR 44 37.526 35.933 45.568 335 H GLY 45 HN GLY 45 33.794 35.533 42.589 336 HA2 GLY 45 HA2 GLY 45 31.670 35.994 41.845 337 HA3 GLY 45 HA1 GLY 45 31.061 35.101 43.256 338 H GLU 46 HN GLU 46 32.852 37.613 44.517 339 HA GLU 46 HA GLU 46 30.542 38.808 45.659 340 HB2 GLU 46 HB2 GLU 46 33.426 39.745 45.572 341 HB3 GLU 46 HB1 GLU 46 32.167 40.493 46.568 342 HG2 GLU 46 HG2 GLU 46 31.810 38.451 47.812 343 HG3 GLU 46 HG1 GLU 46 32.902 37.543 46.771 344 H THR 47 HN THR 47 29.307 40.542 45.160 345 HA THR 47 HA THR 47 29.895 42.104 42.672 346 HB THR 47 HB THR 47 27.209 41.150 43.736 347 HG1 THR 47 HG1 THR 47 28.539 39.627 42.639 348 HG21 THR 47 HG21 THR 47 26.242 42.003 41.653 349 HG22 THR 47 HG22 THR 47 27.799 42.686 41.166 350 HG23 THR 47 HG23 THR 47 26.926 43.339 42.581 351 H GLY 48 HN GLY 48 29.385 44.242 42.699 352 HA2 GLY 48 HA2 GLY 48 28.073 45.823 44.559 353 HA3 GLY 48 HA1 GLY 48 29.693 45.667 45.208 354 H TYR 49 HN TYR 49 30.404 47.717 44.887 355 HA TYR 49 HA TYR 49 30.421 48.831 42.113 356 HB2 TYR 49 HB2 TYR 49 29.906 50.145 44.789 357 HB3 TYR 49 HB1 TYR 49 30.446 51.069 43.402 358 HD1 TYR 49 HD1 TYR 49 27.628 49.157 44.807 359 HD2 TYR 49 HD2 TYR 49 29.060 51.471 41.465 360 HE1 TYR 49 HE1 TYR 49 25.285 49.514 44.052 361 HE2 TYR 49 HE2 TYR 49 26.724 51.861 40.726 362 HH TYR 49 HH TYR 49 24.520 51.553 41.239 363 H ILE 50 HN ILE 50 32.075 49.925 41.432 364 HA ILE 50 HA ILE 50 34.368 50.616 43.213 365 HB ILE 50 HB ILE 50 35.925 50.301 41.215 366 HG12 ILE 50 HG12 ILE 50 33.700 48.494 40.178 367 HG13 ILE 50 HG11 ILE 50 34.194 50.028 39.466 368 HG21 ILE 50 HG21 ILE 50 34.803 47.755 42.438 369 HG22 ILE 50 HG22 ILE 50 35.831 48.912 43.298 370 HG23 ILE 50 HG23 ILE 50 36.469 48.079 41.885 371 HD11 ILE 50 HD11 ILE 50 35.948 47.550 39.703 372 HD12 ILE 50 HD12 ILE 50 36.449 49.124 39.032 373 HD13 ILE 50 HD13 ILE 50 35.174 48.174 38.239 374 HA PRO 51 HA PRO 51 34.013 54.629 41.219 375 HB2 PRO 51 HB2 PRO 51 36.493 55.681 41.696 376 HB3 PRO 51 HB1 PRO 51 35.258 55.491 42.975 377 HG2 PRO 51 HG2 PRO 51 37.580 53.652 42.341 378 HG3 PRO 51 HG1 PRO 51 37.060 54.273 43.940 379 HD2 PRO 51 HD2 PRO 51 36.355 51.799 43.007 380 HD3 PRO 51 HD1 PRO 51 35.276 52.763 44.052 381 H SER 52 HN SER 52 34.324 55.177 39.083 382 HA SER 52 HA SER 52 35.340 53.267 37.275 383 HB2 SER 52 HB2 SER 52 34.756 54.828 35.566 384 HB3 SER 52 HB1 SER 52 33.535 54.906 36.851 385 HG SER 52 HG SER 52 33.997 56.941 36.449 386 HA PRO 53 HA PRO 53 39.087 56.061 36.333 387 HB2 PRO 53 HB2 PRO 53 40.371 57.461 38.306 388 HB3 PRO 53 HB1 PRO 53 39.032 58.133 37.331 389 HG2 PRO 53 HG2 PRO 53 38.855 56.826 40.067 390 HG3 PRO 53 HG1 PRO 53 38.194 58.416 39.560 391 HD2 PRO 53 HD2 PRO 53 36.633 56.250 39.596 392 HD3 PRO 53 HD1 PRO 53 36.529 57.406 38.236 393 H TYR 54 HN TYR 54 38.668 54.059 39.138 394 HA TYR 54 HA TYR 54 41.214 53.110 39.746 395 HB2 TYR 54 HB2 TYR 54 39.136 52.470 40.862 396 HB3 TYR 54 HB1 TYR 54 38.578 51.644 39.408 397 HD1 TYR 54 HD1 TYR 54 41.558 51.604 41.734 398 HD2 TYR 54 HD2 TYR 54 38.749 49.341 39.368 399 HE1 TYR 54 HE1 TYR 54 42.555 49.493 42.575 400 HE2 TYR 54 HE2 TYR 54 39.724 47.225 40.238 401 HH TYR 54 HH TYR 54 42.463 47.210 42.515 402 H LEU 55 HN LEU 55 39.176 52.131 36.951 403 HA LEU 55 HA LEU 55 41.620 51.092 35.605 404 HB2 LEU 55 HB2 LEU 55 40.214 49.620 34.375 405 HB3 LEU 55 HB1 LEU 55 40.043 49.339 36.088 406 HG LEU 55 HG LEU 55 37.980 50.875 34.440 407 HD11 LEU 55 HD11 LEU 55 36.725 48.722 34.389 408 HD12 LEU 55 HD12 LEU 55 38.110 47.909 35.145 409 HD13 LEU 55 HD13 LEU 55 38.262 48.612 33.525 410 HD21 LEU 55 HD21 LEU 55 37.621 51.296 36.817 411 HD22 LEU 55 HD22 LEU 55 37.895 49.578 37.201 412 HD23 LEU 55 HD23 LEU 55 36.446 50.085 36.317 413 H ALA 56 HN ALA 56 39.006 53.429 35.214 414 HA ALA 56 HA ALA 56 39.599 53.854 32.385 415 HB1 ALA 56 HB1 ALA 56 37.300 53.959 33.366 416 HB2 ALA 56 HB2 ALA 56 37.765 55.435 32.504 417 HB3 ALA 56 HB3 ALA 56 37.784 55.408 34.276 Start of MODEL 6 1 H SER 1 H SER 1 29.461 41.532 30.533 2 HA SER 1 HA SER 1 28.809 42.721 28.425 3 HB2 SER 1 HB2 SER 1 29.193 45.002 28.207 4 HB3 SER 1 HB1 SER 1 28.295 44.857 29.718 5 HG SER 1 HG SER 1 30.195 45.202 30.833 6 H THR 2 HN THR 2 31.503 42.962 30.692 7 HA THR 2 HA THR 2 33.334 41.401 29.196 8 HB THR 2 HB THR 2 33.408 43.496 27.797 9 HG1 THR 2 HG1 THR 2 35.672 43.395 27.793 10 HG21 THR 2 HG21 THR 2 33.244 45.196 29.619 11 HG22 THR 2 HG22 THR 2 34.665 45.416 28.590 12 HG23 THR 2 HG23 THR 2 34.849 44.704 30.203 13 H LEU 3 HN LEU 3 35.581 41.578 30.194 14 HA LEU 3 HA LEU 3 35.339 41.727 33.148 15 HB2 LEU 3 HB2 LEU 3 37.257 40.174 31.356 16 HB3 LEU 3 HB1 LEU 3 37.123 40.017 33.100 17 HG LEU 3 HG LEU 3 34.985 39.217 31.074 18 HD11 LEU 3 HD11 LEU 3 36.859 37.720 30.973 19 HD12 LEU 3 HD12 LEU 3 35.550 36.911 31.841 20 HD13 LEU 3 HD13 LEU 3 36.933 37.581 32.739 21 HD21 LEU 3 HD21 LEU 3 33.823 39.874 33.043 22 HD22 LEU 3 HD22 LEU 3 35.005 39.062 34.110 23 HD23 LEU 3 HD23 LEU 3 33.909 38.113 33.083 24 H PHE 4 HN PHE 4 37.551 41.932 34.186 25 HA PHE 4 HA PHE 4 39.469 43.797 33.034 26 HB2 PHE 4 HB2 PHE 4 37.310 45.087 33.916 27 HB3 PHE 4 HB1 PHE 4 38.041 44.839 35.487 28 HD1 PHE 4 HD1 PHE 4 38.384 46.415 32.161 29 HD2 PHE 4 HD2 PHE 4 40.095 46.091 36.103 30 HE1 PHE 4 HE1 PHE 4 39.858 48.351 31.681 31 HE2 PHE 4 HE2 PHE 4 41.586 48.007 35.610 32 HZ PHE 4 HZ PHE 4 41.471 49.142 33.399 33 H GLU 5 HN GLU 5 41.299 44.245 34.512 34 HA GLU 5 HA GLU 5 41.469 42.463 36.886 35 HB2 GLU 5 HB2 GLU 5 42.712 41.492 34.928 36 HB3 GLU 5 HB1 GLU 5 43.765 42.913 34.944 37 HG2 GLU 5 HG2 GLU 5 44.582 42.356 37.159 38 HG3 GLU 5 HG1 GLU 5 43.335 41.128 37.374 39 H ALA 6 HN ALA 6 42.039 43.534 38.675 40 HA ALA 6 HA ALA 6 42.289 46.331 38.831 41 HB1 ALA 6 HB1 ALA 6 42.755 45.829 41.224 42 HB2 ALA 6 HB2 ALA 6 42.955 44.116 40.815 43 HB3 ALA 6 HB3 ALA 6 41.374 44.895 40.608 44 H LEU 7 HN LEU 7 43.915 47.592 38.424 45 HA LEU 7 HA LEU 7 46.686 46.615 38.195 46 HB2 LEU 7 HB2 LEU 7 45.440 49.307 37.503 47 HB3 LEU 7 HB1 LEU 7 47.033 48.737 37.018 48 HG LEU 7 HG LEU 7 44.348 47.636 36.080 49 HD11 LEU 7 HD11 LEU 7 44.985 49.804 35.086 50 HD12 LEU 7 HD12 LEU 7 45.025 48.499 33.893 51 HD13 LEU 7 HD13 LEU 7 46.542 49.116 34.579 52 HD21 LEU 7 HD21 LEU 7 47.167 46.727 35.330 53 HD22 LEU 7 HD22 LEU 7 45.668 46.209 34.527 54 HD23 LEU 7 HD23 LEU 7 45.956 45.765 36.210 55 H TYR 8 HN TYR 8 45.025 47.538 40.814 56 HA TYR 8 HA TYR 8 47.252 48.747 42.255 57 HB2 TYR 8 HB2 TYR 8 45.755 50.488 40.818 58 HB3 TYR 8 HB1 TYR 8 44.707 50.343 42.210 59 HD1 TYR 8 HD1 TYR 8 48.100 51.295 41.025 60 HD2 TYR 8 HD2 TYR 8 45.274 51.496 44.264 61 HE1 TYR 8 HE1 TYR 8 49.489 53.046 42.121 62 HE2 TYR 8 HE2 TYR 8 46.688 53.193 45.401 63 HH TYR 8 HH TYR 8 48.573 54.510 45.247 64 H ASP 9 HN ASP 9 46.557 49.176 44.587 65 HA ASP 9 HA ASP 9 44.666 47.086 45.570 66 HB2 ASP 9 HB2 ASP 9 46.746 48.747 47.031 67 HB3 ASP 9 HB1 ASP 9 45.747 47.489 47.744 68 H TYR 10 HN TYR 10 42.985 47.541 47.043 69 HA TYR 10 HA TYR 10 42.220 50.278 47.758 70 HB2 TYR 10 HB2 TYR 10 41.539 50.023 45.380 71 HB3 TYR 10 HB1 TYR 10 40.615 48.588 45.813 72 HD1 TYR 10 HD1 TYR 10 40.921 52.220 46.822 73 HD2 TYR 10 HD2 TYR 10 38.302 48.865 46.122 74 HE1 TYR 10 HE1 TYR 10 38.949 53.671 47.227 75 HE2 TYR 10 HE2 TYR 10 36.333 50.307 46.553 76 HH TYR 10 HH TYR 10 35.618 52.406 47.148 77 H GLU 11 HN GLU 11 39.995 50.272 48.830 78 HA GLU 11 HA GLU 11 39.172 47.877 50.253 79 HB2 GLU 11 HB2 GLU 11 41.279 48.474 51.454 80 HB3 GLU 11 HB1 GLU 11 40.642 50.086 51.751 81 HG2 GLU 11 HG2 GLU 11 40.383 48.770 53.739 82 HG3 GLU 11 HG1 GLU 11 38.783 49.087 53.094 83 H ALA 12 HN ALA 12 37.030 48.119 50.632 84 HA ALA 12 HA ALA 12 35.797 50.170 49.235 85 HB1 ALA 12 HB1 ALA 12 34.971 47.891 49.376 86 HB2 ALA 12 HB2 ALA 12 33.709 49.016 49.910 87 HB3 ALA 12 HB3 ALA 12 34.625 48.084 51.109 88 H ARG 13 HN ARG 13 34.927 51.943 49.593 89 HA ARG 13 HA ARG 13 35.294 53.282 52.167 90 HB2 ARG 13 HB2 ARG 13 34.575 54.314 49.404 91 HB3 ARG 13 HB1 ARG 13 34.829 55.350 50.800 92 HG2 ARG 13 HG2 ARG 13 36.951 53.530 49.575 93 HG3 ARG 13 HG1 ARG 13 36.769 55.256 49.299 94 HD2 ARG 13 HD2 ARG 13 38.412 55.299 50.872 95 HD3 ARG 13 HD1 ARG 13 37.003 55.422 51.936 96 HE ARG 13 HE ARG 13 37.905 52.699 51.338 97 HH11 ARG 13 HH11 ARG 13 38.571 55.341 53.601 98 HH12 ARG 13 HH12 ARG 13 39.233 54.242 54.783 99 HH21 ARG 13 HH21 ARG 13 38.691 51.405 52.818 100 HH22 ARG 13 HH22 ARG 13 39.297 51.992 54.353 101 H THR 14 HN THR 14 32.370 52.447 50.205 102 HA THR 14 HA THR 14 30.653 53.792 52.219 103 HB THR 14 HB THR 14 28.825 53.527 50.833 104 HG1 THR 14 HG1 THR 14 30.326 51.784 49.246 105 HG21 THR 14 HG21 THR 14 31.151 54.147 48.961 106 HG22 THR 14 HG22 THR 14 30.194 55.294 49.932 107 HG23 THR 14 HG23 THR 14 29.437 54.408 48.601 108 H GLU 15 HN GLU 15 31.496 50.603 51.030 109 HA GLU 15 HA GLU 15 31.749 48.723 52.459 110 HB2 GLU 15 HB2 GLU 15 30.539 49.787 54.389 111 HB3 GLU 15 HB1 GLU 15 29.008 49.341 53.603 112 HG2 GLU 15 HG2 GLU 15 29.683 46.941 53.782 113 HG3 GLU 15 HG1 GLU 15 31.170 47.447 54.592 114 H ASP 16 HN ASP 16 29.200 49.950 50.465 115 HA ASP 16 HA ASP 16 28.184 47.331 49.555 116 HB2 ASP 16 HB2 ASP 16 26.664 49.196 49.970 117 HB3 ASP 16 HB1 ASP 16 27.566 50.227 48.872 118 H ASP 17 HN ASP 17 30.643 49.570 48.719 119 HA ASP 17 HA ASP 17 31.128 48.533 46.017 120 HB2 ASP 17 HB2 ASP 17 33.118 49.965 46.083 121 HB3 ASP 17 HB1 ASP 17 31.606 50.824 46.269 122 H LEU 18 HN LEU 18 33.481 47.809 45.674 123 HA LEU 18 HA LEU 18 33.770 45.391 47.409 124 HB2 LEU 18 HB2 LEU 18 34.395 45.673 44.450 125 HB3 LEU 18 HB1 LEU 18 34.603 44.228 45.427 126 HG LEU 18 HG LEU 18 31.966 45.536 44.649 127 HD11 LEU 18 HD11 LEU 18 33.153 42.802 44.011 128 HD12 LEU 18 HD12 LEU 18 33.138 44.193 42.906 129 HD13 LEU 18 HD13 LEU 18 31.609 43.454 43.416 130 HD21 LEU 18 HD21 LEU 18 31.616 44.687 46.892 131 HD22 LEU 18 HD22 LEU 18 32.477 43.177 46.516 132 HD23 LEU 18 HD23 LEU 18 30.906 43.528 45.766 133 H SER 19 HN SER 19 35.690 44.758 48.097 134 HA SER 19 HA SER 19 37.944 46.670 47.881 135 HB2 SER 19 HB2 SER 19 37.593 44.238 49.663 136 HB3 SER 19 HB1 SER 19 38.791 45.540 49.818 137 HG SER 19 HG SER 19 37.220 46.173 51.075 138 H PHE 20 HN PHE 20 39.944 46.152 47.002 139 HA PHE 20 HA PHE 20 40.346 43.448 45.917 140 HB2 PHE 20 HB2 PHE 20 40.562 44.263 43.650 141 HB3 PHE 20 HB1 PHE 20 38.967 44.559 44.297 142 HD1 PHE 20 HD1 PHE 20 42.239 46.227 43.543 143 HD2 PHE 20 HD2 PHE 20 38.012 46.764 44.197 144 HE1 PHE 20 HE1 PHE 20 42.395 48.558 42.699 145 HE2 PHE 20 HE2 PHE 20 38.175 49.078 43.329 146 HZ PHE 20 HZ PHE 20 40.366 49.985 42.594 147 H HIS 21 HN HIS 21 42.318 43.151 44.808 148 HA HIS 21 HA HIS 21 44.594 44.813 45.761 149 HB2 HIS 21 HB2 HIS 21 44.223 41.803 46.057 150 HB3 HIS 21 HB1 HIS 21 45.810 42.569 46.041 151 HD1 HIS 21 HD1 HIS 21 46.230 44.439 47.996 152 HD2 HIS 21 HD2 HIS 21 42.888 41.955 48.410 153 HE1 HIS 21 HE1 HIS 21 45.550 44.573 50.450 154 H LYS 22 HN LYS 22 46.423 44.727 44.352 155 HA LYS 22 HA LYS 22 45.699 44.647 41.618 156 HB2 LYS 22 HB2 LYS 22 48.098 44.926 41.138 157 HB3 LYS 22 HB1 LYS 22 47.439 46.071 42.300 158 HG2 LYS 22 HG2 LYS 22 48.444 44.761 44.169 159 HG3 LYS 22 HG1 LYS 22 49.175 43.657 42.983 160 HD2 LYS 22 HD2 LYS 22 50.395 45.530 41.960 161 HD3 LYS 22 HD1 LYS 22 49.634 46.674 43.059 162 HE2 LYS 22 HE2 LYS 22 51.586 44.456 43.807 163 HE3 LYS 22 HE1 LYS 22 51.914 46.183 43.738 164 HZ1 LYS 22 HZ1 LYS 22 50.214 44.777 45.700 165 HZ2 LYS 22 HZ2 LYS 22 50.099 46.372 45.490 166 HZ3 LYS 22 HZ3 LYS 22 51.516 45.733 45.987 167 H GLY 23 HN GLY 23 45.593 43.174 40.136 168 HA2 GLY 23 HA2 GLY 23 45.969 41.074 39.062 169 HA3 GLY 23 HA1 GLY 23 46.464 40.353 40.610 170 H GLU 24 HN GLU 24 43.783 41.943 41.638 171 HA GLU 24 HA GLU 24 42.101 39.652 41.481 172 HB2 GLU 24 HB2 GLU 24 41.897 41.112 43.383 173 HB3 GLU 24 HB1 GLU 24 41.572 42.498 42.351 174 HG2 GLU 24 HG2 GLU 24 39.573 41.794 43.504 175 HG3 GLU 24 HG1 GLU 24 39.379 41.706 41.770 176 H LYS 25 HN LYS 25 40.406 39.149 40.257 177 HA LYS 25 HA LYS 25 40.109 40.620 37.698 178 HB2 LYS 25 HB2 LYS 25 39.287 37.769 38.343 179 HB3 LYS 25 HB1 LYS 25 39.276 38.569 36.777 180 HG2 LYS 25 HG2 LYS 25 41.194 37.392 36.543 181 HG3 LYS 25 HG1 LYS 25 41.884 38.866 37.223 182 HD2 LYS 25 HD2 LYS 25 42.032 37.790 39.448 183 HD3 LYS 25 HD1 LYS 25 41.078 36.426 38.872 184 HE2 LYS 25 HE2 LYS 25 43.324 35.698 38.984 185 HE3 LYS 25 HE1 LYS 25 42.879 35.807 37.284 186 HZ1 LYS 25 HZ1 LYS 25 45.101 36.729 37.772 187 HZ2 LYS 25 HZ2 LYS 25 44.416 37.878 38.737 188 HZ3 LYS 25 HZ3 LYS 25 44.127 37.878 37.156 189 H PHE 26 HN PHE 26 38.293 41.346 36.965 190 HA PHE 26 HA PHE 26 35.771 41.269 38.582 191 HB2 PHE 26 HB2 PHE 26 37.306 43.505 37.221 192 HB3 PHE 26 HB1 PHE 26 35.589 43.654 37.507 193 HD1 PHE 26 HD1 PHE 26 38.899 43.496 39.162 194 HD2 PHE 26 HD2 PHE 26 34.642 43.915 39.703 195 HE1 PHE 26 HE1 PHE 26 39.270 44.344 41.464 196 HE2 PHE 26 HE2 PHE 26 35.024 44.778 42.003 197 HZ PHE 26 HZ PHE 26 37.322 44.986 42.884 198 H GLN 27 HN GLN 27 33.828 41.331 37.519 199 HA GLN 27 HA GLN 27 33.692 41.384 34.543 200 HB2 GLN 27 HB2 GLN 27 32.875 39.265 35.519 201 HB3 GLN 27 HB1 GLN 27 31.905 40.145 36.697 202 HG2 GLN 27 HG2 GLN 27 30.418 40.985 34.971 203 HG3 GLN 27 HG1 GLN 27 31.452 40.331 33.698 204 HE21 GLN 27 HE21 GLN 27 31.068 38.179 33.013 205 HE22 GLN 27 HE22 GLN 27 29.934 37.121 33.839 206 H ILE 28 HN ILE 28 32.482 43.063 33.655 207 HA ILE 28 HA ILE 28 31.471 45.130 35.527 208 HB ILE 28 HB ILE 28 32.310 45.478 32.634 209 HG12 ILE 28 HG12 ILE 28 34.350 44.810 33.660 210 HG13 ILE 28 HG11 ILE 28 34.394 46.533 33.384 211 HG21 ILE 28 HG21 ILE 28 30.801 47.200 33.429 212 HG22 ILE 28 HG22 ILE 28 32.419 47.885 33.279 213 HG23 ILE 28 HG23 ILE 28 31.781 47.463 34.884 214 HD11 ILE 28 HD11 ILE 28 33.965 45.157 36.070 215 HD12 ILE 28 HD12 ILE 28 33.924 46.920 35.820 216 HD13 ILE 28 HD13 ILE 28 35.414 46.011 35.521 217 H LEU 29 HN LEU 29 29.417 45.458 35.586 218 HA LEU 29 HA LEU 29 27.585 43.998 33.788 219 HB2 LEU 29 HB2 LEU 29 27.167 45.225 36.546 220 HB3 LEU 29 HB1 LEU 29 26.043 44.180 35.692 221 HG LEU 29 HG LEU 29 28.790 43.347 36.741 222 HD11 LEU 29 HD11 LEU 29 25.999 42.643 37.736 223 HD12 LEU 29 HD12 LEU 29 27.126 43.769 38.521 224 HD13 LEU 29 HD13 LEU 29 27.540 42.054 38.396 225 HD21 LEU 29 HD21 LEU 29 26.609 41.670 35.426 226 HD22 LEU 29 HD22 LEU 29 28.085 41.044 36.194 227 HD23 LEU 29 HD23 LEU 29 28.209 42.037 34.739 228 H ASN 30 HN ASN 30 28.219 47.324 34.924 229 HA ASN 30 HA ASN 30 27.230 48.477 32.657 230 HB2 ASN 30 HB2 ASN 30 24.902 47.879 33.591 231 HB3 ASN 30 HB1 ASN 30 25.210 49.062 34.843 232 HD21 ASN 30 HD21 ASN 30 24.272 51.054 34.271 233 HD22 ASN 30 HD22 ASN 30 24.054 51.637 32.628 234 H SER 31 HN SER 31 27.843 50.612 32.438 235 HA SER 31 HA SER 31 29.628 51.725 34.451 236 HB2 SER 31 HB2 SER 31 28.828 52.923 31.783 237 HB3 SER 31 HB1 SER 31 30.310 53.208 32.705 238 HG SER 31 HG SER 31 31.059 51.275 32.070 239 H SER 32 HN SER 32 27.278 51.881 35.696 240 HA SER 32 HA SER 32 25.407 53.623 34.725 241 HB2 SER 32 HB2 SER 32 25.702 52.540 37.536 242 HB3 SER 32 HB1 SER 32 24.182 53.049 36.756 243 HG SER 32 HG SER 32 24.812 50.787 36.611 244 H GLU 33 HN GLU 33 27.784 54.494 37.319 245 HA GLU 33 HA GLU 33 26.600 57.211 37.350 246 HB2 GLU 33 HB2 GLU 33 28.617 55.977 39.262 247 HB3 GLU 33 HB1 GLU 33 27.754 57.511 39.424 248 HG2 GLU 33 HG2 GLU 33 25.580 56.103 39.392 249 HG3 GLU 33 HG1 GLU 33 26.618 54.702 39.630 250 H GLY 34 HN GLY 34 28.730 55.665 35.489 251 HA2 GLY 34 HA2 GLY 34 30.331 56.368 34.011 252 HA3 GLY 34 HA1 GLY 34 30.235 57.999 34.715 253 H ASP 35 HN ASP 35 31.073 57.905 37.108 254 HA ASP 35 HA ASP 35 33.936 57.295 37.004 255 HB2 ASP 35 HB2 ASP 35 32.819 59.434 37.868 256 HB3 ASP 35 HB1 ASP 35 32.303 58.508 39.264 257 H TRP 36 HN TRP 36 31.065 56.043 38.630 258 HA TRP 36 HA TRP 36 32.667 53.784 39.748 259 HB2 TRP 36 HB2 TRP 36 30.065 54.913 40.847 260 HB3 TRP 36 HB1 TRP 36 30.869 53.458 41.398 261 HD1 TRP 36 HD1 TRP 36 31.575 57.236 41.211 262 HE1 TRP 36 HE1 TRP 36 32.910 57.952 43.262 263 HE3 TRP 36 HE3 TRP 36 32.265 52.640 43.370 264 HZ2 TRP 36 HZ2 TRP 36 34.019 56.725 45.621 265 HZ3 TRP 36 HZ3 TRP 36 33.450 52.459 45.546 266 HH2 TRP 36 HH2 TRP 36 34.303 54.490 46.686 267 H TRP 37 HN TRP 37 32.164 51.834 38.929 268 HA TRP 37 HA TRP 37 29.747 51.553 37.209 269 HB2 TRP 37 HB2 TRP 37 32.298 49.912 37.333 270 HB3 TRP 37 HB1 TRP 37 30.997 49.732 36.179 271 HD1 TRP 37 HD1 TRP 37 31.230 53.257 36.024 272 HE1 TRP 37 HE1 TRP 37 32.878 54.084 34.292 273 HE3 TRP 37 HE3 TRP 37 33.929 48.978 35.392 274 HZ2 TRP 37 HZ2 TRP 37 34.926 52.953 32.562 275 HZ3 TRP 37 HZ3 TRP 37 35.725 48.868 33.673 276 HH2 TRP 37 HH2 TRP 37 36.212 50.837 32.244 277 H GLU 38 HN GLU 38 28.576 49.645 37.234 278 HA GLU 38 HA GLU 38 28.482 48.099 39.740 279 HB2 GLU 38 HB2 GLU 38 26.697 48.323 37.308 280 HB3 GLU 38 HB1 GLU 38 26.555 46.964 38.435 281 HG2 GLU 38 HG2 GLU 38 26.119 48.417 40.299 282 HG3 GLU 38 HG1 GLU 38 26.484 49.861 39.355 283 H VAL 39 HN VAL 39 29.286 46.358 39.910 284 HA VAL 39 HA VAL 39 30.426 44.648 37.743 285 HB VAL 39 HB VAL 39 32.614 44.595 38.852 286 HG11 VAL 39 HG11 VAL 39 31.905 47.518 38.477 287 HG12 VAL 39 HG12 VAL 39 32.094 46.376 37.134 288 HG13 VAL 39 HG13 VAL 39 33.459 46.702 38.220 289 HG21 VAL 39 HG21 VAL 39 33.243 45.913 40.732 290 HG22 VAL 39 HG22 VAL 39 31.794 45.038 41.216 291 HG23 VAL 39 HG23 VAL 39 31.676 46.752 40.774 292 H ARG 40 HN ARG 40 31.620 42.803 38.681 293 HA ARG 40 HA ARG 40 31.187 42.162 41.428 294 HB2 ARG 40 HB2 ARG 40 30.582 39.810 41.180 295 HB3 ARG 40 HB1 ARG 40 29.337 40.877 40.520 296 HG2 ARG 40 HG2 ARG 40 30.020 40.350 38.238 297 HG3 ARG 40 HG1 ARG 40 31.413 39.418 38.827 298 HD2 ARG 40 HD2 ARG 40 29.535 37.939 38.158 299 HD3 ARG 40 HD1 ARG 40 29.984 37.775 39.849 300 HE ARG 40 HE ARG 40 28.034 38.881 40.550 301 HH11 ARG 40 HH11 ARG 40 27.930 38.638 37.017 302 HH12 ARG 40 HH12 ARG 40 26.241 39.065 36.967 303 HH21 ARG 40 HH21 ARG 40 25.987 39.528 40.414 304 HH22 ARG 40 HH22 ARG 40 25.146 39.596 38.886 305 H SER 41 HN SER 41 32.735 40.694 42.247 306 HA SER 41 HA SER 41 35.329 40.368 41.068 307 HB2 SER 41 HB2 SER 41 35.067 40.130 43.433 308 HB3 SER 41 HB1 SER 41 33.681 39.041 43.246 309 HG SER 41 HG SER 41 36.372 38.555 42.983 310 H LEU 42 HN LEU 42 35.922 38.975 39.598 311 HA LEU 42 HA LEU 42 34.213 36.751 38.670 312 HB2 LEU 42 HB2 LEU 42 35.597 38.102 37.109 313 HB3 LEU 42 HB1 LEU 42 37.060 37.531 37.907 314 HG LEU 42 HG LEU 42 36.626 35.238 37.172 315 HD11 LEU 42 HD11 LEU 42 34.072 36.363 35.927 316 HD12 LEU 42 HD12 LEU 42 34.175 35.119 37.194 317 HD13 LEU 42 HD13 LEU 42 34.748 34.761 35.565 318 HD21 LEU 42 HD21 LEU 42 36.253 37.220 34.891 319 HD22 LEU 42 HD22 LEU 42 36.935 35.582 34.767 320 HD23 LEU 42 HD23 LEU 42 37.809 36.838 35.662 321 H THR 43 HN THR 43 37.197 37.132 40.553 322 HA THR 43 HA THR 43 37.957 34.497 40.936 323 HB THR 43 HB THR 43 38.259 36.953 42.667 324 HG1 THR 43 HG1 THR 43 39.840 37.273 41.400 325 HG21 THR 43 HG21 THR 43 38.999 35.072 44.062 326 HG22 THR 43 HG22 THR 43 40.376 35.993 43.456 327 HG23 THR 43 HG23 THR 43 39.975 34.435 42.704 328 H THR 44 HN THR 44 35.752 36.350 43.184 329 HA THR 44 HA THR 44 35.037 33.795 44.501 330 HB THR 44 HB THR 44 34.175 35.205 46.275 331 HG1 THR 44 HG1 THR 44 34.878 37.553 45.869 332 HG21 THR 44 HG21 THR 44 36.207 36.196 47.125 333 HG22 THR 44 HG22 THR 44 36.934 36.261 45.507 334 HG23 THR 44 HG23 THR 44 36.627 34.696 46.290 335 H GLY 45 HN GLY 45 33.621 36.585 42.836 336 HA2 GLY 45 HA2 GLY 45 31.585 36.346 41.461 337 HA3 GLY 45 HA1 GLY 45 30.952 35.221 42.679 338 H GLU 46 HN GLU 46 32.401 37.526 44.524 339 HA GLU 46 HA GLU 46 29.972 38.564 45.495 340 HB2 GLU 46 HB2 GLU 46 32.181 38.365 46.721 341 HB3 GLU 46 HB1 GLU 46 32.734 39.792 45.849 342 HG2 GLU 46 HG2 GLU 46 31.999 40.492 48.013 343 HG3 GLU 46 HG1 GLU 46 30.813 41.083 46.863 344 H THR 47 HN THR 47 28.832 40.464 45.173 345 HA THR 47 HA THR 47 29.386 41.883 42.583 346 HB THR 47 HB THR 47 26.769 40.951 43.831 347 HG1 THR 47 HG1 THR 47 28.117 39.415 42.765 348 HG21 THR 47 HG21 THR 47 25.688 41.619 41.735 349 HG22 THR 47 HG22 THR 47 27.202 42.343 41.154 350 HG23 THR 47 HG23 THR 47 26.347 43.033 42.564 351 H GLY 48 HN GLY 48 28.999 44.047 42.450 352 HA2 GLY 48 HA2 GLY 48 27.668 45.809 44.101 353 HA3 GLY 48 HA1 GLY 48 29.217 45.618 44.890 354 H TYR 49 HN TYR 49 30.180 47.519 44.518 355 HA TYR 49 HA TYR 49 30.410 48.603 41.736 356 HB2 TYR 49 HB2 TYR 49 30.132 49.990 44.427 357 HB3 TYR 49 HB1 TYR 49 30.714 50.831 43.013 358 HD1 TYR 49 HD1 TYR 49 27.747 49.278 44.557 359 HD2 TYR 49 HD2 TYR 49 29.284 51.504 41.203 360 HE1 TYR 49 HE1 TYR 49 25.438 49.987 43.972 361 HE2 TYR 49 HE2 TYR 49 26.985 52.230 40.621 362 HH TYR 49 HH TYR 49 24.770 52.183 41.230 363 H ILE 50 HN ILE 50 32.263 50.263 41.652 364 HA ILE 50 HA ILE 50 34.513 49.990 43.312 365 HB ILE 50 HB ILE 50 36.181 49.516 41.400 366 HG12 ILE 50 HG12 ILE 50 35.520 47.777 39.792 367 HG13 ILE 50 HG11 ILE 50 33.824 48.000 40.215 368 HG21 ILE 50 HG21 ILE 50 36.401 47.262 42.006 369 HG22 ILE 50 HG22 ILE 50 34.684 47.104 42.429 370 HG23 ILE 50 HG23 ILE 50 35.770 48.100 43.427 371 HD11 ILE 50 HD11 ILE 50 33.732 50.130 39.171 372 HD12 ILE 50 HD12 ILE 50 34.672 49.115 38.073 373 HD13 ILE 50 HD13 ILE 50 35.513 50.275 39.117 374 HA PRO 51 HA PRO 51 35.190 53.972 41.220 375 HB2 PRO 51 HB2 PRO 51 37.644 54.672 42.140 376 HB3 PRO 51 HB1 PRO 51 36.193 54.682 43.184 377 HG2 PRO 51 HG2 PRO 51 38.324 52.529 42.991 378 HG3 PRO 51 HG1 PRO 51 37.600 53.263 44.453 379 HD2 PRO 51 HD2 PRO 51 36.767 50.864 43.348 380 HD3 PRO 51 HD1 PRO 51 35.671 51.954 44.245 381 H SER 52 HN SER 52 35.385 53.654 39.100 382 HA SER 52 HA SER 52 36.960 51.862 37.650 383 HB2 SER 52 HB2 SER 52 35.091 52.835 36.616 384 HB3 SER 52 HB1 SER 52 35.597 54.480 36.993 385 HG SER 52 HG SER 52 36.269 52.932 34.873 386 HA PRO 53 HA PRO 53 40.264 55.046 36.605 387 HB2 PRO 53 HB2 PRO 53 40.650 57.375 38.020 388 HB3 PRO 53 HB1 PRO 53 39.547 57.200 36.624 389 HG2 PRO 53 HG2 PRO 53 38.862 57.117 39.569 390 HG3 PRO 53 HG1 PRO 53 38.012 57.975 38.244 391 HD2 PRO 53 HD2 PRO 53 37.189 55.568 39.215 392 HD3 PRO 53 HD1 PRO 53 36.996 56.017 37.493 393 H TYR 54 HN TYR 54 39.698 54.142 39.898 394 HA TYR 54 HA TYR 54 42.598 54.206 40.569 395 HB2 TYR 54 HB2 TYR 54 40.708 55.140 42.030 396 HB3 TYR 54 HB1 TYR 54 40.263 53.480 42.359 397 HD1 TYR 54 HD1 TYR 54 42.990 56.021 42.654 398 HD2 TYR 54 HD2 TYR 54 41.451 52.253 44.070 399 HE1 TYR 54 HE1 TYR 54 44.516 56.141 44.606 400 HE2 TYR 54 HE2 TYR 54 42.986 52.372 46.029 401 HH TYR 54 HH TYR 54 45.150 55.149 46.591 402 H LEU 55 HN LEU 55 39.890 51.931 40.224 403 HA LEU 55 HA LEU 55 41.176 49.402 40.388 404 HB2 LEU 55 HB2 LEU 55 38.727 49.885 39.929 405 HB3 LEU 55 HB1 LEU 55 39.180 50.457 38.331 406 HG LEU 55 HG LEU 55 40.153 48.098 37.911 407 HD11 LEU 55 HD11 LEU 55 38.399 47.479 40.329 408 HD12 LEU 55 HD12 LEU 55 40.169 47.340 40.286 409 HD13 LEU 55 HD13 LEU 55 39.175 46.293 39.258 410 HD21 LEU 55 HD21 LEU 55 37.894 47.218 37.347 411 HD22 LEU 55 HD22 LEU 55 38.118 48.901 36.848 412 HD23 LEU 55 HD23 LEU 55 37.163 48.533 38.300 413 H ALA 56 HN ALA 56 41.121 51.752 37.706 414 HA ALA 56 HA ALA 56 43.005 50.317 36.047 415 HB1 ALA 56 HB1 ALA 56 42.674 52.218 34.551 416 HB2 ALA 56 HB2 ALA 56 41.934 53.166 35.857 417 HB3 ALA 56 HB3 ALA 56 41.107 51.730 35.217 Start of MODEL 7 1 H SER 1 H SER 1 29.510 41.920 30.516 2 HA SER 1 HA SER 1 28.965 43.244 28.465 3 HB2 SER 1 HB2 SER 1 29.423 45.510 28.361 4 HB3 SER 1 HB1 SER 1 28.484 45.338 29.844 5 HG SER 1 HG SER 1 30.399 45.544 31.005 6 H THR 2 HN THR 2 31.623 43.324 30.819 7 HA THR 2 HA THR 2 33.506 41.997 29.043 8 HB THR 2 HB THR 2 33.410 44.401 28.232 9 HG1 THR 2 HG1 THR 2 35.709 44.413 28.174 10 HG21 THR 2 HG21 THR 2 33.298 45.518 30.483 11 HG22 THR 2 HG22 THR 2 34.601 46.113 29.447 12 HG23 THR 2 HG23 THR 2 34.973 45.006 30.782 13 H LEU 3 HN LEU 3 35.614 41.625 30.005 14 HA LEU 3 HA LEU 3 35.654 41.546 32.951 15 HB2 LEU 3 HB2 LEU 3 37.499 40.298 30.881 16 HB3 LEU 3 HB1 LEU 3 37.396 39.881 32.585 17 HG LEU 3 HG LEU 3 35.275 39.352 30.457 18 HD11 LEU 3 HD11 LEU 3 37.316 37.943 30.342 19 HD12 LEU 3 HD12 LEU 3 35.848 37.032 30.703 20 HD13 LEU 3 HD13 LEU 3 37.008 37.394 32.004 21 HD21 LEU 3 HD21 LEU 3 34.084 39.748 32.516 22 HD22 LEU 3 HD22 LEU 3 35.246 38.785 33.453 23 HD23 LEU 3 HD23 LEU 3 34.164 37.996 32.281 24 H PHE 4 HN PHE 4 37.785 41.808 33.932 25 HA PHE 4 HA PHE 4 39.817 43.538 32.853 26 HB2 PHE 4 HB2 PHE 4 37.792 45.100 33.311 27 HB3 PHE 4 HB1 PHE 4 38.093 44.811 35.009 28 HD1 PHE 4 HD1 PHE 4 39.604 46.073 31.832 29 HD2 PHE 4 HD2 PHE 4 39.832 46.062 36.133 30 HE1 PHE 4 HE1 PHE 4 41.264 47.915 31.747 31 HE2 PHE 4 HE2 PHE 4 41.485 47.912 36.047 32 HZ PHE 4 HZ PHE 4 42.195 48.849 33.851 33 H GLU 5 HN GLU 5 41.644 43.757 34.301 34 HA GLU 5 HA GLU 5 41.453 42.208 36.856 35 HB2 GLU 5 HB2 GLU 5 42.898 41.183 35.021 36 HB3 GLU 5 HB1 GLU 5 43.987 42.560 35.227 37 HG2 GLU 5 HG2 GLU 5 44.343 41.939 37.588 38 HG3 GLU 5 HG1 GLU 5 43.129 40.667 37.461 39 H ALA 6 HN ALA 6 42.046 43.270 38.669 40 HA ALA 6 HA ALA 6 42.179 46.064 38.837 41 HB1 ALA 6 HB1 ALA 6 42.795 45.563 41.210 42 HB2 ALA 6 HB2 ALA 6 43.036 43.862 40.760 43 HB3 ALA 6 HB3 ALA 6 41.423 44.583 40.648 44 H LEU 7 HN LEU 7 43.700 47.351 38.189 45 HA LEU 7 HA LEU 7 46.478 46.550 37.735 46 HB2 LEU 7 HB2 LEU 7 44.913 49.149 37.365 47 HB3 LEU 7 HB1 LEU 7 46.605 48.962 36.934 48 HG LEU 7 HG LEU 7 44.263 47.486 35.655 49 HD11 LEU 7 HD11 LEU 7 44.395 49.811 34.924 50 HD12 LEU 7 HD12 LEU 7 45.012 48.781 33.630 51 HD13 LEU 7 HD13 LEU 7 46.144 49.672 34.662 52 HD21 LEU 7 HD21 LEU 7 47.260 47.280 35.116 53 HD22 LEU 7 HD22 LEU 7 46.001 46.661 34.028 54 HD23 LEU 7 HD23 LEU 7 46.175 45.970 35.642 55 H TYR 8 HN TYR 8 44.806 47.724 40.451 56 HA TYR 8 HA TYR 8 47.270 48.360 41.881 57 HB2 TYR 8 HB2 TYR 8 46.427 50.437 40.512 58 HB3 TYR 8 HB1 TYR 8 45.173 50.537 41.735 59 HD1 TYR 8 HD1 TYR 8 48.897 50.186 41.360 60 HD2 TYR 8 HD2 TYR 8 45.660 51.885 43.636 61 HE1 TYR 8 HE1 TYR 8 50.535 51.468 42.725 62 HE2 TYR 8 HE2 TYR 8 47.286 53.171 45.000 63 HH TYR 8 HH TYR 8 49.512 53.681 45.332 64 H ASP 9 HN ASP 9 46.697 49.137 44.204 65 HA ASP 9 HA ASP 9 44.651 47.296 45.313 66 HB2 ASP 9 HB2 ASP 9 46.809 48.892 46.727 67 HB3 ASP 9 HB1 ASP 9 45.775 47.658 47.432 68 H TYR 10 HN TYR 10 43.134 47.943 46.842 69 HA TYR 10 HA TYR 10 42.466 50.781 47.338 70 HB2 TYR 10 HB2 TYR 10 41.619 50.285 45.074 71 HB3 TYR 10 HB1 TYR 10 40.800 48.853 45.688 72 HD1 TYR 10 HD1 TYR 10 40.904 52.587 46.116 73 HD2 TYR 10 HD2 TYR 10 38.533 48.992 46.292 74 HE1 TYR 10 HE1 TYR 10 38.872 53.945 46.591 75 HE2 TYR 10 HE2 TYR 10 36.511 50.337 46.781 76 HH TYR 10 HH TYR 10 35.682 52.440 47.188 77 H GLU 11 HN GLU 11 40.387 50.962 48.663 78 HA GLU 11 HA GLU 11 39.557 48.596 50.149 79 HB2 GLU 11 HB2 GLU 11 41.629 49.364 51.344 80 HB3 GLU 11 HB1 GLU 11 40.863 50.927 51.611 81 HG2 GLU 11 HG2 GLU 11 40.649 49.577 53.602 82 HG3 GLU 11 HG1 GLU 11 39.054 49.813 52.918 83 H ALA 12 HN ALA 12 37.473 48.706 50.432 84 HA ALA 12 HA ALA 12 35.946 50.688 49.203 85 HB1 ALA 12 HB1 ALA 12 35.285 48.376 49.259 86 HB2 ALA 12 HB2 ALA 12 34.034 49.300 50.111 87 HB3 ALA 12 HB3 ALA 12 35.226 48.370 51.034 88 H ARG 13 HN ARG 13 34.731 52.235 49.748 89 HA ARG 13 HA ARG 13 35.313 53.638 52.258 90 HB2 ARG 13 HB2 ARG 13 33.964 54.564 49.694 91 HB3 ARG 13 HB1 ARG 13 34.486 55.612 51.002 92 HG2 ARG 13 HG2 ARG 13 36.397 53.917 49.332 93 HG3 ARG 13 HG1 ARG 13 35.940 55.576 48.962 94 HD2 ARG 13 HD2 ARG 13 37.993 55.780 50.022 95 HD3 ARG 13 HD1 ARG 13 36.829 56.218 51.273 96 HE ARG 13 HE ARG 13 37.981 53.461 51.001 97 HH11 ARG 13 HH11 ARG 13 37.564 56.253 53.145 98 HH12 ARG 13 HH12 ARG 13 38.085 55.342 54.537 99 HH21 ARG 13 HH21 ARG 13 38.584 52.387 52.741 100 HH22 ARG 13 HH22 ARG 13 38.683 53.142 54.315 101 H THR 14 HN THR 14 32.339 52.535 50.537 102 HA THR 14 HA THR 14 30.616 53.733 52.642 103 HB THR 14 HB THR 14 28.802 53.584 51.215 104 HG1 THR 14 HG1 THR 14 30.300 51.935 49.523 105 HG21 THR 14 HG21 THR 14 30.226 55.383 50.419 106 HG22 THR 14 HG22 THR 14 29.431 54.598 49.045 107 HG23 THR 14 HG23 THR 14 31.138 54.271 49.369 108 H GLU 15 HN GLU 15 31.544 50.660 51.186 109 HA GLU 15 HA GLU 15 31.827 48.669 52.238 110 HB2 GLU 15 HB2 GLU 15 31.106 49.725 54.469 111 HB3 GLU 15 HB1 GLU 15 29.486 49.102 54.101 112 HG2 GLU 15 HG2 GLU 15 30.383 46.809 54.068 113 HG3 GLU 15 HG1 GLU 15 32.026 47.427 54.247 114 H ASP 16 HN ASP 16 29.220 50.116 50.693 115 HA ASP 16 HA ASP 16 27.995 47.581 49.768 116 HB2 ASP 16 HB2 ASP 16 26.791 49.871 50.250 117 HB3 ASP 16 HB1 ASP 16 27.430 50.349 48.689 118 H ASP 17 HN ASP 17 30.572 49.679 49.038 119 HA ASP 17 HA ASP 17 31.059 48.649 46.322 120 HB2 ASP 17 HB2 ASP 17 32.975 50.148 46.309 121 HB3 ASP 17 HB1 ASP 17 31.459 50.981 46.560 122 H LEU 18 HN LEU 18 33.467 48.056 46.051 123 HA LEU 18 HA LEU 18 33.934 45.716 47.851 124 HB2 LEU 18 HB2 LEU 18 33.893 45.847 44.808 125 HB3 LEU 18 HB1 LEU 18 34.674 44.535 45.672 126 HG LEU 18 HG LEU 18 31.730 45.226 46.021 127 HD11 LEU 18 HD11 LEU 18 33.059 43.113 44.264 128 HD12 LEU 18 HD12 LEU 18 32.152 44.534 43.706 129 HD13 LEU 18 HD13 LEU 18 31.319 43.236 44.581 130 HD21 LEU 18 HD21 LEU 18 32.772 43.945 47.930 131 HD22 LEU 18 HD22 LEU 18 33.299 42.712 46.769 132 HD23 LEU 18 HD23 LEU 18 31.568 43.007 47.046 133 H SER 19 HN SER 19 35.958 44.918 48.027 134 HA SER 19 HA SER 19 38.126 46.917 47.551 135 HB2 SER 19 HB2 SER 19 37.956 44.722 49.636 136 HB3 SER 19 HB1 SER 19 39.150 46.033 49.527 137 HG SER 19 HG SER 19 37.656 46.757 50.871 138 H PHE 20 HN PHE 20 40.209 46.222 46.963 139 HA PHE 20 HA PHE 20 40.566 43.513 45.933 140 HB2 PHE 20 HB2 PHE 20 40.704 44.295 43.593 141 HB3 PHE 20 HB1 PHE 20 39.107 44.424 44.300 142 HD1 PHE 20 HD1 PHE 20 42.132 46.438 43.391 143 HD2 PHE 20 HD2 PHE 20 37.916 46.492 44.296 144 HE1 PHE 20 HE1 PHE 20 41.992 48.793 42.629 145 HE2 PHE 20 HE2 PHE 20 37.784 48.843 43.524 146 HZ PHE 20 HZ PHE 20 39.814 50.003 42.707 147 H HIS 21 HN HIS 21 42.463 43.378 44.522 148 HA HIS 21 HA HIS 21 44.757 44.970 45.448 149 HB2 HIS 21 HB2 HIS 21 44.397 41.973 45.914 150 HB3 HIS 21 HB1 HIS 21 45.958 42.791 45.972 151 HD1 HIS 21 HD1 HIS 21 46.018 44.921 47.789 152 HD2 HIS 21 HD2 HIS 21 43.049 42.004 48.221 153 HE1 HIS 21 HE1 HIS 21 45.134 45.156 50.175 154 H LYS 22 HN LYS 22 46.545 44.801 44.107 155 HA LYS 22 HA LYS 22 46.019 44.528 41.351 156 HB2 LYS 22 HB2 LYS 22 48.459 44.772 41.073 157 HB3 LYS 22 HB1 LYS 22 47.728 45.956 42.149 158 HG2 LYS 22 HG2 LYS 22 48.522 44.509 44.116 159 HG3 LYS 22 HG1 LYS 22 49.466 43.582 42.935 160 HD2 LYS 22 HD2 LYS 22 50.621 45.663 42.239 161 HD3 LYS 22 HD1 LYS 22 49.682 46.589 43.409 162 HE2 LYS 22 HE2 LYS 22 51.667 44.363 44.054 163 HE3 LYS 22 HE1 LYS 22 51.940 46.094 44.226 164 HZ1 LYS 22 HZ1 LYS 22 51.343 45.308 46.352 165 HZ2 LYS 22 HZ2 LYS 22 50.055 44.450 45.804 166 HZ3 LYS 22 HZ3 LYS 22 50.009 46.071 45.797 167 H GLY 23 HN GLY 23 45.552 42.834 40.239 168 HA2 GLY 23 HA2 GLY 23 46.222 40.647 39.273 169 HA3 GLY 23 HA1 GLY 23 46.619 40.101 40.912 170 H GLU 24 HN GLU 24 43.949 41.561 41.809 171 HA GLU 24 HA GLU 24 42.229 39.290 41.526 172 HB2 GLU 24 HB2 GLU 24 42.003 40.639 43.492 173 HB3 GLU 24 HB1 GLU 24 41.757 42.093 42.541 174 HG2 GLU 24 HG2 GLU 24 39.702 41.421 43.575 175 HG3 GLU 24 HG1 GLU 24 39.558 41.402 41.836 176 H LYS 25 HN LYS 25 40.449 38.948 40.310 177 HA LYS 25 HA LYS 25 40.268 40.504 37.782 178 HB2 LYS 25 HB2 LYS 25 39.294 37.678 38.307 179 HB3 LYS 25 HB1 LYS 25 39.352 38.551 36.778 180 HG2 LYS 25 HG2 LYS 25 41.171 37.222 36.530 181 HG3 LYS 25 HG1 LYS 25 41.956 38.646 37.213 182 HD2 LYS 25 HD2 LYS 25 42.043 37.536 39.437 183 HD3 LYS 25 HD1 LYS 25 41.018 36.235 38.837 184 HE2 LYS 25 HE2 LYS 25 43.172 35.332 38.893 185 HE3 LYS 25 HE1 LYS 25 42.820 35.620 37.193 186 HZ1 LYS 25 HZ1 LYS 25 44.219 37.573 37.283 187 HZ2 LYS 25 HZ2 LYS 25 45.078 36.332 37.891 188 HZ3 LYS 25 HZ3 LYS 25 44.407 37.470 38.876 189 H PHE 26 HN PHE 26 38.538 41.497 37.208 190 HA PHE 26 HA PHE 26 35.940 41.242 38.657 191 HB2 PHE 26 HB2 PHE 26 37.559 43.578 37.641 192 HB3 PHE 26 HB1 PHE 26 35.819 43.711 37.685 193 HD1 PHE 26 HD1 PHE 26 38.810 43.102 39.849 194 HD2 PHE 26 HD2 PHE 26 34.619 44.103 39.683 195 HE1 PHE 26 HE1 PHE 26 38.876 43.758 42.221 196 HE2 PHE 26 HE2 PHE 26 34.688 44.778 42.072 197 HZ PHE 26 HZ PHE 26 36.808 44.612 43.348 198 H GLN 27 HN GLN 27 34.058 41.396 37.557 199 HA GLN 27 HA GLN 27 34.007 41.476 34.584 200 HB2 GLN 27 HB2 GLN 27 33.356 39.291 35.411 201 HB3 GLN 27 HB1 GLN 27 32.308 39.994 36.639 202 HG2 GLN 27 HG2 GLN 27 30.790 40.850 34.890 203 HG3 GLN 27 HG1 GLN 27 31.845 40.188 33.633 204 HE21 GLN 27 HE21 GLN 27 32.179 37.710 33.683 205 HE22 GLN 27 HE22 GLN 27 30.826 36.761 34.286 206 H ILE 28 HN ILE 28 32.740 43.096 33.746 207 HA ILE 28 HA ILE 28 31.726 45.128 35.670 208 HB ILE 28 HB ILE 28 32.624 45.562 32.808 209 HG12 ILE 28 HG12 ILE 28 34.627 44.810 33.844 210 HG13 ILE 28 HG11 ILE 28 34.720 46.544 33.664 211 HG21 ILE 28 HG21 ILE 28 31.112 47.273 33.729 212 HG22 ILE 28 HG22 ILE 28 32.734 47.925 33.472 213 HG23 ILE 28 HG23 ILE 28 32.197 47.518 35.112 214 HD11 ILE 28 HD11 ILE 28 34.148 45.061 36.274 215 HD12 ILE 28 HD12 ILE 28 34.234 46.831 36.097 216 HD13 ILE 28 HD13 ILE 28 35.666 45.831 35.798 217 H LEU 29 HN LEU 29 29.617 45.109 35.816 218 HA LEU 29 HA LEU 29 27.970 43.621 33.897 219 HB2 LEU 29 HB2 LEU 29 27.188 44.941 36.528 220 HB3 LEU 29 HB1 LEU 29 26.274 43.747 35.624 221 HG LEU 29 HG LEU 29 28.917 43.265 37.071 222 HD11 LEU 29 HD11 LEU 29 26.111 42.249 37.668 223 HD12 LEU 29 HD12 LEU 29 26.953 43.538 38.554 224 HD13 LEU 29 HD13 LEU 29 27.588 41.887 38.586 225 HD21 LEU 29 HD21 LEU 29 27.173 41.298 35.524 226 HD22 LEU 29 HD22 LEU 29 28.565 40.872 36.539 227 HD23 LEU 29 HD23 LEU 29 28.807 41.834 35.074 228 H ASN 30 HN ASN 30 28.386 46.983 35.007 229 HA ASN 30 HA ASN 30 27.618 48.013 32.558 230 HB2 ASN 30 HB2 ASN 30 25.257 47.440 33.457 231 HB3 ASN 30 HB1 ASN 30 25.504 48.733 34.608 232 HD21 ASN 30 HD21 ASN 30 24.808 50.755 33.833 233 HD22 ASN 30 HD22 ASN 30 24.568 51.160 32.138 234 H SER 31 HN SER 31 28.189 50.167 32.281 235 HA SER 31 HA SER 31 29.848 51.358 34.420 236 HB2 SER 31 HB2 SER 31 29.580 52.041 31.486 237 HB3 SER 31 HB1 SER 31 30.762 52.720 32.623 238 HG SER 31 HG SER 31 31.634 50.943 31.499 239 H SER 32 HN SER 32 27.478 51.647 35.266 240 HA SER 32 HA SER 32 25.669 53.256 34.067 241 HB2 SER 32 HB2 SER 32 25.821 52.500 37.002 242 HB3 SER 32 HB1 SER 32 24.343 52.761 36.043 243 HG SER 32 HG SER 32 25.058 50.578 36.229 244 H GLU 33 HN GLU 33 27.805 54.285 36.742 245 HA GLU 33 HA GLU 33 26.725 57.051 36.505 246 HB2 GLU 33 HB2 GLU 33 27.862 55.540 38.896 247 HB3 GLU 33 HB1 GLU 33 27.506 57.272 38.885 248 HG2 GLU 33 HG2 GLU 33 25.142 56.843 38.446 249 HG3 GLU 33 HG1 GLU 33 25.427 55.118 38.282 250 H GLY 34 HN GLY 34 29.174 55.276 35.365 251 HA2 GLY 34 HA2 GLY 34 31.058 55.832 34.200 252 HA3 GLY 34 HA1 GLY 34 30.749 57.529 34.620 253 H ASP 35 HN ASP 35 31.087 57.791 37.115 254 HA ASP 35 HA ASP 35 33.927 57.421 37.737 255 HB2 ASP 35 HB2 ASP 35 32.642 59.535 38.098 256 HB3 ASP 35 HB1 ASP 35 31.631 58.706 39.269 257 H TRP 36 HN TRP 36 30.779 56.131 38.782 258 HA TRP 36 HA TRP 36 32.205 53.945 40.229 259 HB2 TRP 36 HB2 TRP 36 29.498 55.150 40.909 260 HB3 TRP 36 HB1 TRP 36 30.151 53.676 41.606 261 HD1 TRP 36 HD1 TRP 36 30.749 57.443 41.591 262 HE1 TRP 36 HE1 TRP 36 32.107 58.121 43.639 263 HE3 TRP 36 HE3 TRP 36 31.718 52.788 43.484 264 HZ2 TRP 36 HZ2 TRP 36 33.482 56.821 45.819 265 HZ3 TRP 36 HZ3 TRP 36 33.074 52.544 45.555 266 HH2 TRP 36 HH2 TRP 36 33.966 54.541 46.716 267 H TRP 37 HN TRP 37 31.886 51.981 39.427 268 HA TRP 37 HA TRP 37 29.794 51.509 37.368 269 HB2 TRP 37 HB2 TRP 37 32.421 50.151 38.060 270 HB3 TRP 37 HB1 TRP 37 31.318 49.590 36.818 271 HD1 TRP 37 HD1 TRP 37 31.222 53.153 36.311 272 HE1 TRP 37 HE1 TRP 37 32.874 53.919 34.541 273 HE3 TRP 37 HE3 TRP 37 34.205 49.006 36.139 274 HZ2 TRP 37 HZ2 TRP 37 35.060 52.795 33.019 275 HZ3 TRP 37 HZ3 TRP 37 36.076 48.881 34.507 276 HH2 TRP 37 HH2 TRP 37 36.502 50.758 32.940 277 H GLU 38 HN GLU 38 28.676 49.556 37.257 278 HA GLU 38 HA GLU 38 28.239 48.102 39.807 279 HB2 GLU 38 HB2 GLU 38 26.619 48.305 37.255 280 HB3 GLU 38 HB1 GLU 38 26.312 47.099 38.519 281 HG2 GLU 38 HG2 GLU 38 25.955 48.834 40.187 282 HG3 GLU 38 HG1 GLU 38 26.380 50.102 39.042 283 H VAL 39 HN VAL 39 29.377 46.553 40.035 284 HA VAL 39 HA VAL 39 30.518 44.832 37.862 285 HB VAL 39 HB VAL 39 32.710 45.006 38.861 286 HG11 VAL 39 HG11 VAL 39 31.637 47.832 38.586 287 HG12 VAL 39 HG12 VAL 39 31.981 46.752 37.216 288 HG13 VAL 39 HG13 VAL 39 33.290 47.264 38.301 289 HG21 VAL 39 HG21 VAL 39 33.279 46.488 40.698 290 HG22 VAL 39 HG22 VAL 39 32.106 45.298 41.266 291 HG23 VAL 39 HG23 VAL 39 31.580 46.959 40.914 292 H ARG 40 HN ARG 40 31.836 43.043 38.771 293 HA ARG 40 HA ARG 40 31.295 42.197 41.460 294 HB2 ARG 40 HB2 ARG 40 30.558 39.937 41.000 295 HB3 ARG 40 HB1 ARG 40 29.427 41.108 40.303 296 HG2 ARG 40 HG2 ARG 40 30.290 40.674 38.058 297 HG3 ARG 40 HG1 ARG 40 31.555 39.620 38.717 298 HD2 ARG 40 HD2 ARG 40 29.731 38.274 37.792 299 HD3 ARG 40 HD1 ARG 40 29.931 38.024 39.516 300 HE ARG 40 HE ARG 40 27.997 39.474 39.933 301 HH11 ARG 40 HH11 ARG 40 28.116 38.275 36.596 302 HH12 ARG 40 HH12 ARG 40 26.382 38.175 36.492 303 HH21 ARG 40 HH21 ARG 40 25.827 39.451 39.685 304 HH22 ARG 40 HH22 ARG 40 25.103 38.915 38.192 305 H SER 41 HN SER 41 32.776 40.713 42.233 306 HA SER 41 HA SER 41 35.399 40.371 41.090 307 HB2 SER 41 HB2 SER 41 35.157 40.029 43.422 308 HB3 SER 41 HB1 SER 41 33.712 39.022 43.215 309 HG SER 41 HG SER 41 36.368 38.393 42.946 310 H LEU 42 HN LEU 42 35.872 39.187 39.417 311 HA LEU 42 HA LEU 42 34.137 37.166 38.213 312 HB2 LEU 42 HB2 LEU 42 35.740 38.546 36.913 313 HB3 LEU 42 HB1 LEU 42 37.090 37.816 37.778 314 HG LEU 42 HG LEU 42 36.584 35.625 36.784 315 HD11 LEU 42 HD11 LEU 42 34.890 35.460 34.940 316 HD12 LEU 42 HD12 LEU 42 34.290 37.076 35.379 317 HD13 LEU 42 HD13 LEU 42 34.158 35.717 36.522 318 HD21 LEU 42 HD21 LEU 42 37.113 36.230 34.407 319 HD22 LEU 42 HD22 LEU 42 38.120 37.075 35.588 320 HD23 LEU 42 HD23 LEU 42 36.782 37.933 34.800 321 H THR 43 HN THR 43 37.014 37.111 40.269 322 HA THR 43 HA THR 43 37.570 34.442 40.528 323 HB THR 43 HB THR 43 37.849 36.793 42.396 324 HG1 THR 43 HG1 THR 43 39.626 36.953 41.325 325 HG21 THR 43 HG21 THR 43 39.674 35.713 43.519 326 HG22 THR 43 HG22 THR 43 39.446 34.210 42.599 327 HG23 THR 43 HG23 THR 43 38.227 34.744 43.792 328 H THR 44 HN THR 44 35.286 36.198 42.745 329 HA THR 44 HA THR 44 34.435 33.570 43.851 330 HB THR 44 HB THR 44 33.565 34.872 45.712 331 HG1 THR 44 HG1 THR 44 34.310 37.181 45.599 332 HG21 THR 44 HG21 THR 44 35.610 35.673 46.708 333 HG22 THR 44 HG22 THR 44 36.399 35.839 45.128 334 HG23 THR 44 HG23 THR 44 35.989 34.230 45.762 335 H GLY 45 HN GLY 45 33.187 36.504 42.321 336 HA2 GLY 45 HA2 GLY 45 31.144 36.596 41.027 337 HA3 GLY 45 HA1 GLY 45 30.446 35.329 42.066 338 H GLU 46 HN GLU 46 32.094 37.329 44.151 339 HA GLU 46 HA GLU 46 29.777 38.471 45.310 340 HB2 GLU 46 HB2 GLU 46 31.963 38.029 46.477 341 HB3 GLU 46 HB1 GLU 46 32.658 39.407 45.624 342 HG2 GLU 46 HG2 GLU 46 32.043 40.134 47.818 343 HG3 GLU 46 HG1 GLU 46 30.915 40.878 46.693 344 H THR 47 HN THR 47 28.712 40.369 44.976 345 HA THR 47 HA THR 47 29.441 41.941 42.528 346 HB THR 47 HB THR 47 26.740 40.924 43.500 347 HG1 THR 47 HG1 THR 47 28.088 39.499 42.317 348 HG21 THR 47 HG21 THR 47 26.375 43.147 42.488 349 HG22 THR 47 HG22 THR 47 25.790 41.859 41.430 350 HG23 THR 47 HG23 THR 47 27.333 42.655 41.062 351 H GLY 48 HN GLY 48 28.931 44.076 42.502 352 HA2 GLY 48 HA2 GLY 48 27.572 45.714 44.251 353 HA3 GLY 48 HA1 GLY 48 29.122 45.510 45.037 354 H TYR 49 HN TYR 49 29.938 47.488 44.820 355 HA TYR 49 HA TYR 49 30.183 48.746 42.119 356 HB2 TYR 49 HB2 TYR 49 29.668 49.859 44.886 357 HB3 TYR 49 HB1 TYR 49 30.406 50.865 43.665 358 HD1 TYR 49 HD1 TYR 49 27.301 49.075 44.595 359 HD2 TYR 49 HD2 TYR 49 29.213 51.670 41.738 360 HE1 TYR 49 HE1 TYR 49 25.072 49.735 43.705 361 HE2 TYR 49 HE2 TYR 49 26.990 52.376 40.879 362 HH TYR 49 HH TYR 49 24.730 52.229 41.179 363 H ILE 50 HN ILE 50 31.930 50.370 42.028 364 HA ILE 50 HA ILE 50 34.223 50.260 43.658 365 HB ILE 50 HB ILE 50 35.926 49.828 41.890 366 HG12 ILE 50 HG12 ILE 50 35.134 48.107 40.080 367 HG13 ILE 50 HG11 ILE 50 33.572 48.898 40.222 368 HG21 ILE 50 HG21 ILE 50 36.021 47.467 42.184 369 HG22 ILE 50 HG22 ILE 50 34.284 47.359 42.515 370 HG23 ILE 50 HG23 ILE 50 35.364 48.189 43.657 371 HD11 ILE 50 HD11 ILE 50 34.568 51.026 39.461 372 HD12 ILE 50 HD12 ILE 50 35.033 49.727 38.361 373 HD13 ILE 50 HD13 ILE 50 36.198 50.308 39.559 374 HA PRO 51 HA PRO 51 34.411 54.188 41.354 375 HB2 PRO 51 HB2 PRO 51 36.678 55.321 42.308 376 HB3 PRO 51 HB1 PRO 51 35.179 55.215 43.271 377 HG2 PRO 51 HG2 PRO 51 37.644 53.497 43.478 378 HG3 PRO 51 HG1 PRO 51 36.565 54.117 44.764 379 HD2 PRO 51 HD2 PRO 51 36.483 51.537 43.552 380 HD3 PRO 51 HD1 PRO 51 35.189 52.253 44.551 381 H SER 52 HN SER 52 35.073 54.277 39.297 382 HA SER 52 HA SER 52 36.535 52.161 38.119 383 HB2 SER 52 HB2 SER 52 36.078 53.182 36.044 384 HB3 SER 52 HB1 SER 52 34.682 53.487 37.089 385 HG SER 52 HG SER 52 35.051 55.427 36.344 386 HA PRO 53 HA PRO 53 40.124 55.209 37.241 387 HB2 PRO 53 HB2 PRO 53 40.312 56.812 39.766 388 HB3 PRO 53 HB1 PRO 53 40.585 57.328 38.077 389 HG2 PRO 53 HG2 PRO 53 38.325 58.041 39.401 390 HG3 PRO 53 HG1 PRO 53 38.242 57.524 37.683 391 HD2 PRO 53 HD2 PRO 53 37.732 55.856 40.162 392 HD3 PRO 53 HD1 PRO 53 36.704 56.051 38.727 393 H TYR 54 HN TYR 54 39.419 53.754 40.330 394 HA TYR 54 HA TYR 54 42.238 53.509 41.162 395 HB2 TYR 54 HB2 TYR 54 39.591 52.682 42.418 396 HB3 TYR 54 HB1 TYR 54 41.155 52.399 43.147 397 HD1 TYR 54 HD1 TYR 54 38.960 55.185 41.889 398 HD2 TYR 54 HD2 TYR 54 42.129 54.005 44.560 399 HE1 TYR 54 HE1 TYR 54 38.826 57.395 43.025 400 HE2 TYR 54 HE2 TYR 54 41.977 56.193 45.716 401 HH TYR 54 HH TYR 54 40.899 58.227 45.811 402 H LEU 55 HN LEU 55 39.526 51.343 40.338 403 HA LEU 55 HA LEU 55 40.872 48.819 40.375 404 HB2 LEU 55 HB2 LEU 55 38.403 49.168 40.036 405 HB3 LEU 55 HB1 LEU 55 38.743 49.877 38.460 406 HG LEU 55 HG LEU 55 39.860 47.627 37.845 407 HD11 LEU 55 HD11 LEU 55 38.282 46.677 40.271 408 HD12 LEU 55 HD12 LEU 55 40.054 46.736 40.172 409 HD13 LEU 55 HD13 LEU 55 39.148 45.662 39.097 410 HD21 LEU 55 HD21 LEU 55 37.674 46.582 37.317 411 HD22 LEU 55 HD22 LEU 55 37.717 48.306 36.924 412 HD23 LEU 55 HD23 LEU 55 36.865 47.752 38.382 413 H ALA 56 HN ALA 56 40.646 51.276 37.788 414 HA ALA 56 HA ALA 56 42.628 49.907 36.126 415 HB1 ALA 56 HB1 ALA 56 42.050 51.643 34.497 416 HB2 ALA 56 HB2 ALA 56 41.132 52.533 35.728 417 HB3 ALA 56 HB3 ALA 56 40.574 50.939 35.174 Start of MODEL 8 1 H SER 1 H SER 1 29.399 41.766 30.752 2 HA SER 1 HA SER 1 28.770 42.993 28.698 3 HB2 SER 1 HB2 SER 1 29.175 45.239 28.441 4 HB3 SER 1 HB1 SER 1 28.453 45.167 30.049 5 HG SER 1 HG SER 1 30.513 45.390 30.911 6 H THR 2 HN THR 2 31.669 43.014 30.854 7 HA THR 2 HA THR 2 33.246 41.555 29.000 8 HB THR 2 HB THR 2 33.228 43.819 27.888 9 HG1 THR 2 HG1 THR 2 35.375 43.568 27.437 10 HG21 THR 2 HG21 THR 2 35.044 44.627 30.204 11 HG22 THR 2 HG22 THR 2 33.412 45.266 29.899 12 HG23 THR 2 HG23 THR 2 34.706 45.553 28.728 13 H LEU 3 HN LEU 3 35.384 41.377 29.607 14 HA LEU 3 HA LEU 3 35.828 40.990 32.519 15 HB2 LEU 3 HB2 LEU 3 37.448 39.988 30.145 16 HB3 LEU 3 HB1 LEU 3 37.560 39.419 31.804 17 HG LEU 3 HG LEU 3 35.184 39.034 29.927 18 HD11 LEU 3 HD11 LEU 3 37.210 37.029 30.990 19 HD12 LEU 3 HD12 LEU 3 37.169 37.695 29.343 20 HD13 LEU 3 HD13 LEU 3 35.834 36.687 29.917 21 HD21 LEU 3 HD21 LEU 3 35.607 38.066 32.788 22 HD22 LEU 3 HD22 LEU 3 34.320 37.501 31.701 23 HD23 LEU 3 HD23 LEU 3 34.350 39.190 32.220 24 H PHE 4 HN PHE 4 37.763 41.533 33.586 25 HA PHE 4 HA PHE 4 39.608 43.523 32.468 26 HB2 PHE 4 HB2 PHE 4 37.233 44.496 33.084 27 HB3 PHE 4 HB1 PHE 4 37.758 44.302 34.740 28 HD1 PHE 4 HD1 PHE 4 38.559 45.885 31.457 29 HD2 PHE 4 HD2 PHE 4 39.233 45.965 35.709 30 HE1 PHE 4 HE1 PHE 4 39.713 48.069 31.231 31 HE2 PHE 4 HE2 PHE 4 40.398 48.136 35.484 32 HZ PHE 4 HZ PHE 4 40.639 49.201 33.238 33 H GLU 5 HN GLU 5 41.356 44.041 33.861 34 HA GLU 5 HA GLU 5 41.715 42.335 36.299 35 HB2 GLU 5 HB2 GLU 5 43.379 41.870 34.585 36 HB3 GLU 5 HB1 GLU 5 43.780 43.583 34.443 37 HG2 GLU 5 HG2 GLU 5 44.799 43.640 36.595 38 HG3 GLU 5 HG1 GLU 5 44.066 42.112 37.080 39 H ALA 6 HN ALA 6 42.352 43.419 38.256 40 HA ALA 6 HA ALA 6 41.856 46.256 38.527 41 HB1 ALA 6 HB1 ALA 6 41.202 44.646 40.283 42 HB2 ALA 6 HB2 ALA 6 42.522 45.667 40.896 43 HB3 ALA 6 HB3 ALA 6 42.852 44.014 40.349 44 H LEU 7 HN LEU 7 43.350 47.566 37.659 45 HA LEU 7 HA LEU 7 46.172 46.897 37.538 46 HB2 LEU 7 HB2 LEU 7 44.561 49.307 36.599 47 HB3 LEU 7 HB1 LEU 7 46.230 48.964 36.156 48 HG LEU 7 HG LEU 7 43.804 47.251 35.433 49 HD11 LEU 7 HD11 LEU 7 45.569 49.051 33.734 50 HD12 LEU 7 HD12 LEU 7 43.865 49.328 34.176 51 HD13 LEU 7 HD13 LEU 7 44.294 47.973 33.126 52 HD21 LEU 7 HD21 LEU 7 46.753 46.892 34.731 53 HD22 LEU 7 HD22 LEU 7 45.416 46.005 33.970 54 HD23 LEU 7 HD23 LEU 7 45.748 45.780 35.687 55 H TYR 8 HN TYR 8 44.542 48.001 40.127 56 HA TYR 8 HA TYR 8 46.820 49.181 41.438 57 HB2 TYR 8 HB2 TYR 8 45.953 51.076 40.058 58 HB3 TYR 8 HB1 TYR 8 44.375 50.875 40.798 59 HD1 TYR 8 HD1 TYR 8 47.978 51.577 41.595 60 HD2 TYR 8 HD2 TYR 8 43.865 52.094 42.766 61 HE1 TYR 8 HE1 TYR 8 48.676 53.238 43.312 62 HE2 TYR 8 HE2 TYR 8 44.549 53.771 44.460 63 HH TYR 8 HH TYR 8 46.312 54.927 45.389 64 H ASP 9 HN ASP 9 46.352 49.494 43.745 65 HA ASP 9 HA ASP 9 44.441 47.513 44.737 66 HB2 ASP 9 HB2 ASP 9 46.422 49.252 46.233 67 HB3 ASP 9 HB1 ASP 9 45.516 47.901 46.896 68 H TYR 10 HN TYR 10 42.825 47.789 46.259 69 HA TYR 10 HA TYR 10 41.928 50.481 47.069 70 HB2 TYR 10 HB2 TYR 10 41.046 50.010 44.734 71 HB3 TYR 10 HB1 TYR 10 40.167 48.644 45.415 72 HD1 TYR 10 HD1 TYR 10 40.704 52.324 46.023 73 HD2 TYR 10 HD2 TYR 10 37.929 49.033 46.027 74 HE1 TYR 10 HE1 TYR 10 38.892 53.858 46.766 75 HE2 TYR 10 HE2 TYR 10 36.115 50.553 46.786 76 HH TYR 10 HH TYR 10 35.614 52.674 47.508 77 H GLU 11 HN GLU 11 39.905 50.388 48.533 78 HA GLU 11 HA GLU 11 39.425 47.919 49.964 79 HB2 GLU 11 HB2 GLU 11 41.681 48.671 50.809 80 HB3 GLU 11 HB1 GLU 11 40.930 50.173 51.351 81 HG2 GLU 11 HG2 GLU 11 39.363 48.772 52.780 82 HG3 GLU 11 HG1 GLU 11 40.278 47.349 52.292 83 H ALA 12 HN ALA 12 37.414 48.034 50.658 84 HA ALA 12 HA ALA 12 35.696 49.964 49.785 85 HB1 ALA 12 HB1 ALA 12 35.164 47.612 50.103 86 HB2 ALA 12 HB2 ALA 12 33.996 48.618 50.985 87 HB3 ALA 12 HB3 ALA 12 35.289 47.784 51.866 88 H ARG 13 HN ARG 13 35.068 51.815 50.375 89 HA ARG 13 HA ARG 13 35.734 53.025 52.924 90 HB2 ARG 13 HB2 ARG 13 34.218 54.097 50.516 91 HB3 ARG 13 HB1 ARG 13 34.792 55.067 51.862 92 HG2 ARG 13 HG2 ARG 13 36.572 53.562 49.893 93 HG3 ARG 13 HG1 ARG 13 36.181 55.275 49.854 94 HD2 ARG 13 HD2 ARG 13 38.254 55.321 50.830 95 HD3 ARG 13 HD1 ARG 13 37.209 55.361 52.256 96 HE ARG 13 HE ARG 13 38.020 52.690 51.353 97 HH11 ARG 13 HH11 ARG 13 39.185 55.347 53.389 98 HH12 ARG 13 HH12 ARG 13 40.202 54.271 54.311 99 HH21 ARG 13 HH21 ARG 13 39.239 51.424 52.522 100 HH22 ARG 13 HH22 ARG 13 40.214 52.008 53.845 101 H THR 14 HN THR 14 32.682 51.897 51.449 102 HA THR 14 HA THR 14 31.224 52.498 53.974 103 HB THR 14 HB THR 14 29.216 52.901 52.881 104 HG1 THR 14 HG1 THR 14 30.445 52.001 50.532 105 HG21 THR 14 HG21 THR 14 29.510 54.721 51.339 106 HG22 THR 14 HG22 THR 14 31.194 54.271 51.021 107 HG23 THR 14 HG23 THR 14 30.710 54.854 52.635 108 H GLU 15 HN GLU 15 29.051 50.921 53.412 109 HA GLU 15 HA GLU 15 30.000 48.164 53.705 110 HB2 GLU 15 HB2 GLU 15 27.609 47.753 54.202 111 HB3 GLU 15 HB1 GLU 15 28.329 48.949 55.260 112 HG2 GLU 15 HG2 GLU 15 26.894 50.001 52.828 113 HG3 GLU 15 HG1 GLU 15 25.918 49.235 54.065 114 H ASP 16 HN ASP 16 29.167 50.131 51.048 115 HA ASP 16 HA ASP 16 27.650 48.052 49.576 116 HB2 ASP 16 HB2 ASP 16 26.806 50.409 49.974 117 HB3 ASP 16 HB1 ASP 16 28.113 50.986 48.950 118 H ASP 17 HN ASP 17 30.707 49.845 49.347 119 HA ASP 17 HA ASP 17 31.222 48.892 46.628 120 HB2 ASP 17 HB2 ASP 17 33.214 50.317 46.734 121 HB3 ASP 17 HB1 ASP 17 31.701 51.167 46.963 122 H LEU 18 HN LEU 18 33.261 47.892 46.040 123 HA LEU 18 HA LEU 18 33.750 45.611 47.873 124 HB2 LEU 18 HB2 LEU 18 34.432 45.903 44.926 125 HB3 LEU 18 HB1 LEU 18 34.539 44.444 45.893 126 HG LEU 18 HG LEU 18 32.000 45.881 45.030 127 HD11 LEU 18 HD11 LEU 18 33.112 43.114 44.391 128 HD12 LEU 18 HD12 LEU 18 33.141 44.524 43.311 129 HD13 LEU 18 HD13 LEU 18 31.594 43.795 43.777 130 HD21 LEU 18 HD21 LEU 18 32.305 43.462 46.866 131 HD22 LEU 18 HD22 LEU 18 30.783 43.955 46.092 132 HD23 LEU 18 HD23 LEU 18 31.556 45.025 47.267 133 H SER 19 HN SER 19 35.683 44.975 48.632 134 HA SER 19 HA SER 19 38.142 46.568 48.066 135 HB2 SER 19 HB2 SER 19 37.604 44.257 49.959 136 HB3 SER 19 HB1 SER 19 39.163 45.079 49.775 137 HG SER 19 HG SER 19 37.726 45.844 51.486 138 H PHE 20 HN PHE 20 40.086 45.608 47.285 139 HA PHE 20 HA PHE 20 40.249 42.890 46.365 140 HB2 PHE 20 HB2 PHE 20 40.439 43.450 43.936 141 HB3 PHE 20 HB1 PHE 20 38.849 43.563 44.613 142 HD1 PHE 20 HD1 PHE 20 41.684 45.547 43.243 143 HD2 PHE 20 HD2 PHE 20 37.629 45.671 44.716 144 HE1 PHE 20 HE1 PHE 20 41.363 47.776 42.212 145 HE2 PHE 20 HE2 PHE 20 37.320 47.895 43.678 146 HZ PHE 20 HZ PHE 20 39.179 48.942 42.398 147 H HIS 21 HN HIS 21 42.264 43.390 44.343 148 HA HIS 21 HA HIS 21 44.372 44.951 45.555 149 HB2 HIS 21 HB2 HIS 21 45.929 43.236 45.959 150 HB3 HIS 21 HB1 HIS 21 44.473 42.738 46.796 151 HD1 HIS 21 HD1 HIS 21 42.976 40.789 45.223 152 HD2 HIS 21 HD2 HIS 21 47.022 41.498 44.372 153 HE1 HIS 21 HE1 HIS 21 43.777 38.799 43.886 154 H LYS 22 HN LYS 22 46.216 45.114 44.095 155 HA LYS 22 HA LYS 22 45.478 45.236 41.315 156 HB2 LYS 22 HB2 LYS 22 47.115 46.773 42.338 157 HB3 LYS 22 HB1 LYS 22 48.221 45.423 42.622 158 HG2 LYS 22 HG2 LYS 22 48.400 45.007 40.208 159 HG3 LYS 22 HG1 LYS 22 47.192 46.253 39.871 160 HD2 LYS 22 HD2 LYS 22 48.702 47.992 40.743 161 HD3 LYS 22 HD1 LYS 22 49.898 46.756 41.188 162 HE2 LYS 22 HE2 LYS 22 50.138 46.080 38.851 163 HE3 LYS 22 HE1 LYS 22 48.863 47.187 38.355 164 HZ1 LYS 22 HZ1 LYS 22 51.386 48.103 39.601 165 HZ2 LYS 22 HZ2 LYS 22 50.234 49.035 38.895 166 HZ3 LYS 22 HZ3 LYS 22 51.149 48.033 37.989 167 H GLY 23 HN GLY 23 45.379 43.646 39.939 168 HA2 GLY 23 HA2 GLY 23 46.199 41.712 38.766 169 HA3 GLY 23 HA1 GLY 23 46.855 41.064 40.288 170 H GLU 24 HN GLU 24 43.932 42.094 41.398 171 HA GLU 24 HA GLU 24 42.652 39.564 41.094 172 HB2 GLU 24 HB2 GLU 24 42.408 41.388 42.968 173 HB3 GLU 24 HB1 GLU 24 41.170 42.071 41.916 174 HG2 GLU 24 HG2 GLU 24 39.924 39.952 41.931 175 HG3 GLU 24 HG1 GLU 24 41.236 39.143 42.791 176 H LYS 25 HN LYS 25 40.632 39.100 40.042 177 HA LYS 25 HA LYS 25 40.429 40.485 37.406 178 HB2 LYS 25 HB2 LYS 25 39.689 37.641 38.157 179 HB3 LYS 25 HB1 LYS 25 39.769 38.340 36.527 180 HG2 LYS 25 HG2 LYS 25 42.194 37.946 38.328 181 HG3 LYS 25 HG1 LYS 25 41.610 36.799 37.131 182 HD2 LYS 25 HD2 LYS 25 41.843 38.546 35.357 183 HD3 LYS 25 HD1 LYS 25 42.614 39.618 36.534 184 HE2 LYS 25 HE2 LYS 25 43.578 36.769 36.049 185 HE3 LYS 25 HE1 LYS 25 44.088 38.080 34.992 186 HZ1 LYS 25 HZ1 LYS 25 44.500 38.265 37.910 187 HZ2 LYS 25 HZ2 LYS 25 45.168 39.141 36.722 188 HZ3 LYS 25 HZ3 LYS 25 45.618 37.593 36.898 189 H PHE 26 HN PHE 26 38.558 41.318 36.702 190 HA PHE 26 HA PHE 26 36.065 41.017 38.297 191 HB2 PHE 26 HB2 PHE 26 37.660 43.408 37.357 192 HB3 PHE 26 HB1 PHE 26 35.926 43.543 37.504 193 HD1 PHE 26 HD1 PHE 26 39.041 42.881 39.458 194 HD2 PHE 26 HD2 PHE 26 34.810 43.705 39.586 195 HE1 PHE 26 HE1 PHE 26 39.192 43.299 41.895 196 HE2 PHE 26 HE2 PHE 26 34.973 44.145 42.025 197 HZ PHE 26 HZ PHE 26 37.146 43.906 43.186 198 H GLN 27 HN GLN 27 34.170 41.163 37.313 199 HA GLN 27 HA GLN 27 33.923 41.359 34.352 200 HB2 GLN 27 HB2 GLN 27 33.028 39.302 35.172 201 HB3 GLN 27 HB1 GLN 27 32.252 40.083 36.551 202 HG2 GLN 27 HG2 GLN 27 30.635 41.176 35.053 203 HG3 GLN 27 HG1 GLN 27 31.426 40.446 33.647 204 HE21 GLN 27 HE21 GLN 27 31.335 38.001 33.459 205 HE22 GLN 27 HE22 GLN 27 30.016 37.174 34.276 206 H ILE 28 HN ILE 28 32.956 43.138 33.583 207 HA ILE 28 HA ILE 28 31.939 45.234 35.455 208 HB ILE 28 HB ILE 28 32.699 45.532 32.528 209 HG12 ILE 28 HG12 ILE 28 34.768 45.012 33.572 210 HG13 ILE 28 HG11 ILE 28 34.721 46.737 33.271 211 HG21 ILE 28 HG21 ILE 28 32.643 47.952 33.030 212 HG22 ILE 28 HG22 ILE 28 32.125 47.606 34.694 213 HG23 ILE 28 HG23 ILE 28 31.078 47.196 33.325 214 HD11 ILE 28 HD11 ILE 28 34.349 45.357 35.964 215 HD12 ILE 28 HD12 ILE 28 34.127 47.102 35.690 216 HD13 ILE 28 HD13 ILE 28 35.718 46.348 35.434 217 H LEU 29 HN LEU 29 29.812 45.157 35.711 218 HA LEU 29 HA LEU 29 28.037 43.759 33.883 219 HB2 LEU 29 HB2 LEU 29 27.343 45.458 36.314 220 HB3 LEU 29 HB1 LEU 29 26.382 44.183 35.591 221 HG LEU 29 HG LEU 29 29.048 43.749 37.030 222 HD11 LEU 29 HD11 LEU 29 27.294 44.521 38.572 223 HD12 LEU 29 HD12 LEU 29 27.757 42.833 38.851 224 HD13 LEU 29 HD13 LEU 29 26.228 43.209 38.023 225 HD21 LEU 29 HD21 LEU 29 26.974 41.703 36.137 226 HD22 LEU 29 HD22 LEU 29 28.496 41.383 36.991 227 HD23 LEU 29 HD23 LEU 29 28.531 41.992 35.328 228 H ASN 30 HN ASN 30 28.476 47.092 35.006 229 HA ASN 30 HA ASN 30 28.012 48.263 32.441 230 HB2 ASN 30 HB2 ASN 30 25.647 47.683 33.077 231 HB3 ASN 30 HB1 ASN 30 25.798 48.724 34.474 232 HD21 ASN 30 HD21 ASN 30 23.916 49.881 33.515 233 HD22 ASN 30 HD22 ASN 30 24.175 51.002 32.184 234 H SER 31 HN SER 31 28.358 50.533 32.377 235 HA SER 31 HA SER 31 30.342 51.420 34.386 236 HB2 SER 31 HB2 SER 31 29.761 52.385 31.571 237 HB3 SER 31 HB1 SER 31 31.146 52.851 32.573 238 HG SER 31 HG SER 31 31.582 51.113 31.094 239 H SER 32 HN SER 32 27.899 51.768 35.358 240 HA SER 32 HA SER 32 26.238 53.399 34.012 241 HB2 SER 32 HB2 SER 32 26.015 52.426 36.874 242 HB3 SER 32 HB1 SER 32 24.671 52.721 35.741 243 HG SER 32 HG SER 32 25.471 50.545 35.867 244 H GLU 33 HN GLU 33 28.162 54.387 36.757 245 HA GLU 33 HA GLU 33 26.868 57.075 36.773 246 HB2 GLU 33 HB2 GLU 33 28.448 55.575 38.897 247 HB3 GLU 33 HB1 GLU 33 27.999 57.273 39.037 248 HG2 GLU 33 HG2 GLU 33 26.080 54.914 38.804 249 HG3 GLU 33 HG1 GLU 33 26.463 55.789 40.271 250 H GLY 34 HN GLY 34 29.186 55.572 35.156 251 HA2 GLY 34 HA2 GLY 34 30.870 56.308 33.815 252 HA3 GLY 34 HA1 GLY 34 30.654 57.944 34.482 253 H ASP 35 HN ASP 35 31.382 58.131 36.762 254 HA ASP 35 HA ASP 35 34.231 57.581 37.002 255 HB2 ASP 35 HB2 ASP 35 32.958 59.704 37.662 256 HB3 ASP 35 HB1 ASP 35 32.313 58.804 39.021 257 H TRP 36 HN TRP 36 31.237 56.375 38.380 258 HA TRP 36 HA TRP 36 32.672 54.146 39.762 259 HB2 TRP 36 HB2 TRP 36 30.033 55.465 40.498 260 HB3 TRP 36 HB1 TRP 36 30.552 53.907 41.113 261 HD1 TRP 36 HD1 TRP 36 31.707 57.574 41.182 262 HE1 TRP 36 HE1 TRP 36 32.907 58.044 43.383 263 HE3 TRP 36 HE3 TRP 36 31.640 52.854 43.160 264 HZ2 TRP 36 HZ2 TRP 36 33.775 56.566 45.704 265 HZ3 TRP 36 HZ3 TRP 36 32.707 52.409 45.355 266 HH2 TRP 36 HH2 TRP 36 33.773 54.251 46.632 267 H TRP 37 HN TRP 37 31.949 52.113 39.428 268 HA TRP 37 HA TRP 37 30.059 51.601 37.159 269 HB2 TRP 37 HB2 TRP 37 32.595 50.140 37.989 270 HB3 TRP 37 HB1 TRP 37 31.510 49.621 36.717 271 HD1 TRP 37 HD1 TRP 37 31.538 53.034 35.850 272 HE1 TRP 37 HE1 TRP 37 33.339 53.618 34.161 273 HE3 TRP 37 HE3 TRP 37 34.614 49.015 36.535 274 HZ2 TRP 37 HZ2 TRP 37 35.693 52.370 33.018 275 HZ3 TRP 37 HZ3 TRP 37 36.630 48.723 35.102 276 HH2 TRP 37 HH2 TRP 37 37.169 50.381 33.348 277 H GLU 38 HN GLU 38 29.318 49.377 37.135 278 HA GLU 38 HA GLU 38 28.587 48.180 39.771 279 HB2 GLU 38 HB2 GLU 38 27.102 48.139 37.114 280 HB3 GLU 38 HB1 GLU 38 26.781 47.005 38.429 281 HG2 GLU 38 HG2 GLU 38 26.073 48.765 39.904 282 HG3 GLU 38 HG1 GLU 38 26.571 50.019 38.761 283 H VAL 39 HN VAL 39 29.961 46.530 40.050 284 HA VAL 39 HA VAL 39 30.806 44.813 37.781 285 HB VAL 39 HB VAL 39 33.039 44.810 38.670 286 HG11 VAL 39 HG11 VAL 39 32.364 46.678 37.137 287 HG12 VAL 39 HG12 VAL 39 33.753 47.044 38.183 288 HG13 VAL 39 HG13 VAL 39 32.156 47.716 38.560 289 HG21 VAL 39 HG21 VAL 39 32.156 46.735 40.856 290 HG22 VAL 39 HG22 VAL 39 33.794 46.109 40.561 291 HG23 VAL 39 HG23 VAL 39 32.528 45.015 41.108 292 H ARG 40 HN ARG 40 32.074 42.987 38.622 293 HA ARG 40 HA ARG 40 31.182 41.696 41.112 294 HB2 ARG 40 HB2 ARG 40 29.520 40.875 39.670 295 HB3 ARG 40 HB1 ARG 40 30.627 40.679 38.311 296 HG2 ARG 40 HG2 ARG 40 31.715 38.774 39.362 297 HG3 ARG 40 HG1 ARG 40 30.755 38.985 40.835 298 HD2 ARG 40 HD2 ARG 40 29.671 38.352 38.049 299 HD3 ARG 40 HD1 ARG 40 29.912 37.169 39.337 300 HE ARG 40 HE ARG 40 28.325 38.634 40.703 301 HH11 ARG 40 HH11 ARG 40 27.868 38.346 37.192 302 HH12 ARG 40 HH12 ARG 40 26.149 38.613 37.325 303 HH21 ARG 40 HH21 ARG 40 26.239 39.266 40.732 304 HH22 ARG 40 HH22 ARG 40 25.221 39.127 39.320 305 H SER 41 HN SER 41 32.787 40.556 42.016 306 HA SER 41 HA SER 41 35.426 40.386 40.694 307 HB2 SER 41 HB2 SER 41 35.609 40.992 42.945 308 HB3 SER 41 HB1 SER 41 34.471 39.736 43.486 309 HG SER 41 HG SER 41 37.065 39.540 43.256 310 H LEU 42 HN LEU 42 36.405 38.645 40.063 311 HA LEU 42 HA LEU 42 34.892 36.173 39.528 312 HB2 LEU 42 HB2 LEU 42 37.630 37.096 38.588 313 HB3 LEU 42 HB1 LEU 42 36.757 35.687 37.993 314 HG LEU 42 HG LEU 42 35.919 38.604 37.636 315 HD11 LEU 42 HD11 LEU 42 36.296 38.147 35.247 316 HD12 LEU 42 HD12 LEU 42 36.838 36.502 35.639 317 HD13 LEU 42 HD13 LEU 42 37.773 37.914 36.189 318 HD21 LEU 42 HD21 LEU 42 34.130 37.638 36.130 319 HD22 LEU 42 HD22 LEU 42 33.866 37.367 37.855 320 HD23 LEU 42 HD23 LEU 42 34.478 36.047 36.831 321 H THR 43 HN THR 43 36.408 37.043 42.165 322 HA THR 43 HA THR 43 37.874 34.539 42.808 323 HB THR 43 HB THR 43 37.997 35.353 45.101 324 HG1 THR 43 HG1 THR 43 37.118 37.820 44.745 325 HG21 THR 43 HG21 THR 43 39.363 37.359 44.773 326 HG22 THR 43 HG22 THR 43 38.754 37.543 43.115 327 HG23 THR 43 HG23 THR 43 39.736 36.130 43.559 328 H THR 44 HN THR 44 34.913 36.075 44.006 329 HA THR 44 HA THR 44 33.746 33.509 44.879 330 HB THR 44 HB THR 44 32.380 35.115 46.277 331 HG1 THR 44 HG1 THR 44 34.140 37.140 45.805 332 HG21 THR 44 HG21 THR 44 35.402 35.447 46.584 333 HG22 THR 44 HG22 THR 44 34.398 34.164 47.293 334 HG23 THR 44 HG23 THR 44 34.168 35.844 47.797 335 H GLY 45 HN GLY 45 33.080 36.186 42.713 336 HA2 GLY 45 HA2 GLY 45 31.240 36.497 41.244 337 HA3 GLY 45 HA1 GLY 45 30.276 35.317 42.172 338 H GLU 46 HN GLU 46 31.843 37.379 44.348 339 HA GLU 46 HA GLU 46 29.487 38.670 45.226 340 HB2 GLU 46 HB2 GLU 46 31.456 38.230 46.661 341 HB3 GLU 46 HB1 GLU 46 32.391 39.408 45.736 342 HG2 GLU 46 HG2 GLU 46 31.764 40.460 47.746 343 HG3 GLU 46 HG1 GLU 46 30.765 41.195 46.510 344 H THR 47 HN THR 47 28.715 40.704 45.017 345 HA THR 47 HA THR 47 29.441 42.157 42.503 346 HB THR 47 HB THR 47 26.694 41.378 43.570 347 HG1 THR 47 HG1 THR 47 28.034 39.738 42.637 348 HG21 THR 47 HG21 THR 47 26.454 43.427 42.288 349 HG22 THR 47 HG22 THR 47 25.913 42.075 41.289 350 HG23 THR 47 HG23 THR 47 27.520 42.791 41.008 351 H GLY 48 HN GLY 48 29.024 44.299 42.436 352 HA2 GLY 48 HA2 GLY 48 27.473 45.982 43.872 353 HA3 GLY 48 HA1 GLY 48 28.848 45.842 44.947 354 H TYR 49 HN TYR 49 29.254 48.056 44.694 355 HA TYR 49 HA TYR 49 29.963 49.058 41.995 356 HB2 TYR 49 HB2 TYR 49 29.229 50.431 44.597 357 HB3 TYR 49 HB1 TYR 49 29.897 51.300 43.231 358 HD1 TYR 49 HD1 TYR 49 26.968 49.237 44.302 359 HD2 TYR 49 HD2 TYR 49 28.575 51.966 41.381 360 HE1 TYR 49 HE1 TYR 49 24.698 49.535 43.333 361 HE2 TYR 49 HE2 TYR 49 26.309 52.288 40.424 362 HH TYR 49 HH TYR 49 24.078 51.724 40.576 363 H ILE 50 HN ILE 50 31.841 50.137 41.554 364 HA ILE 50 HA ILE 50 33.927 50.484 43.626 365 HB ILE 50 HB ILE 50 35.711 49.658 42.166 366 HG12 ILE 50 HG12 ILE 50 35.066 48.018 40.318 367 HG13 ILE 50 HG11 ILE 50 33.510 48.836 40.237 368 HG21 ILE 50 HG21 ILE 50 34.738 48.200 43.877 369 HG22 ILE 50 HG22 ILE 50 35.341 47.279 42.493 370 HG23 ILE 50 HG23 ILE 50 33.602 47.532 42.684 371 HD11 ILE 50 HD11 ILE 50 36.134 50.355 39.956 372 HD12 ILE 50 HD12 ILE 50 34.523 50.812 39.335 373 HD13 ILE 50 HD13 ILE 50 35.417 49.488 38.592 374 HA PRO 51 HA PRO 51 34.517 54.234 41.169 375 HB2 PRO 51 HB2 PRO 51 36.815 55.234 42.202 376 HB3 PRO 51 HB1 PRO 51 35.289 55.207 43.127 377 HG2 PRO 51 HG2 PRO 51 37.644 53.339 43.356 378 HG3 PRO 51 HG1 PRO 51 36.611 54.024 44.646 379 HD2 PRO 51 HD2 PRO 51 36.350 51.470 43.472 380 HD3 PRO 51 HD1 PRO 51 35.082 52.304 44.413 381 H SER 52 HN SER 52 35.156 54.148 39.098 382 HA SER 52 HA SER 52 36.723 52.080 38.010 383 HB2 SER 52 HB2 SER 52 36.448 53.033 35.928 384 HB3 SER 52 HB1 SER 52 34.980 53.471 36.814 385 HG SER 52 HG SER 52 35.703 55.523 36.958 386 HA PRO 53 HA PRO 53 40.344 55.065 37.332 387 HB2 PRO 53 HB2 PRO 53 41.021 57.016 39.120 388 HB3 PRO 53 HB1 PRO 53 39.836 57.268 37.804 389 HG2 PRO 53 HG2 PRO 53 39.268 56.527 40.690 390 HG3 PRO 53 HG1 PRO 53 38.547 57.865 39.737 391 HD2 PRO 53 HD2 PRO 53 37.295 55.515 40.019 392 HD3 PRO 53 HD1 PRO 53 37.255 56.362 38.445 393 H TYR 54 HN TYR 54 39.511 53.458 40.219 394 HA TYR 54 HA TYR 54 42.358 52.859 40.880 395 HB2 TYR 54 HB2 TYR 54 39.949 52.967 42.734 396 HB3 TYR 54 HB1 TYR 54 41.601 52.603 43.213 397 HD1 TYR 54 HD1 TYR 54 43.321 54.546 42.071 398 HD2 TYR 54 HD2 TYR 54 39.273 55.113 43.444 399 HE1 TYR 54 HE1 TYR 54 43.759 56.969 42.348 400 HE2 TYR 54 HE2 TYR 54 39.706 57.541 43.720 401 HH TYR 54 HH TYR 54 41.254 59.240 43.496 402 H LEU 55 HN LEU 55 39.851 51.659 39.333 403 HA LEU 55 HA LEU 55 40.734 48.857 39.873 404 HB2 LEU 55 HB2 LEU 55 38.224 49.101 39.920 405 HB3 LEU 55 HB1 LEU 55 38.287 49.717 38.270 406 HG LEU 55 HG LEU 55 39.365 47.515 37.580 407 HD11 LEU 55 HD11 LEU 55 40.141 46.821 39.886 408 HD12 LEU 55 HD12 LEU 55 39.189 45.589 39.044 409 HD13 LEU 55 HD13 LEU 55 38.444 46.564 40.328 410 HD21 LEU 55 HD21 LEU 55 37.274 46.263 37.545 411 HD22 LEU 55 HD22 LEU 55 36.946 47.978 37.248 412 HD23 LEU 55 HD23 LEU 55 36.605 47.266 38.842 413 H ALA 56 HN ALA 56 40.078 51.310 37.348 414 HA ALA 56 HA ALA 56 41.619 49.984 35.280 415 HB1 ALA 56 HB1 ALA 56 40.405 52.782 35.416 416 HB2 ALA 56 HB2 ALA 56 39.506 51.330 34.934 417 HB3 ALA 56 HB3 ALA 56 40.870 51.899 33.955 Start of MODEL 9 1 H SER 1 H SER 1 29.902 41.078 31.038 2 HA SER 1 HA SER 1 29.122 41.644 28.726 3 HB2 SER 1 HB2 SER 1 29.329 43.846 27.947 4 HB3 SER 1 HB1 SER 1 28.402 43.964 29.443 5 HG SER 1 HG SER 1 30.188 44.780 30.457 6 H THR 2 HN THR 2 31.815 42.445 30.817 7 HA THR 2 HA THR 2 33.796 41.039 29.281 8 HB THR 2 HB THR 2 33.566 43.153 27.929 9 HG1 THR 2 HG1 THR 2 35.465 42.133 27.807 10 HG21 THR 2 HG21 THR 2 34.390 45.240 28.713 11 HG22 THR 2 HG22 THR 2 34.925 44.556 30.258 12 HG23 THR 2 HG23 THR 2 33.188 44.725 29.910 13 H LEU 3 HN LEU 3 35.897 41.058 30.330 14 HA LEU 3 HA LEU 3 35.713 41.305 33.256 15 HB2 LEU 3 HB2 LEU 3 37.985 40.284 31.522 16 HB3 LEU 3 HB1 LEU 3 37.770 40.030 33.245 17 HG LEU 3 HG LEU 3 36.105 38.816 31.012 18 HD11 LEU 3 HD11 LEU 3 38.381 37.874 31.364 19 HD12 LEU 3 HD12 LEU 3 37.098 36.717 31.743 20 HD13 LEU 3 HD13 LEU 3 37.968 37.540 33.057 21 HD21 LEU 3 HD21 LEU 3 35.001 37.501 32.841 22 HD22 LEU 3 HD22 LEU 3 34.593 39.220 32.877 23 HD23 LEU 3 HD23 LEU 3 35.776 38.565 34.034 24 H PHE 4 HN PHE 4 37.756 41.942 34.307 25 HA PHE 4 HA PHE 4 39.511 43.942 33.210 26 HB2 PHE 4 HB2 PHE 4 37.183 45.114 33.732 27 HB3 PHE 4 HB1 PHE 4 37.753 45.075 35.389 28 HD1 PHE 4 HD1 PHE 4 39.833 46.368 36.011 29 HD2 PHE 4 HD2 PHE 4 38.204 46.471 32.021 30 HE1 PHE 4 HE1 PHE 4 41.304 48.274 35.459 31 HE2 PHE 4 HE2 PHE 4 39.647 48.414 31.483 32 HZ PHE 4 HZ PHE 4 41.212 49.311 33.187 33 H GLU 5 HN GLU 5 41.286 44.368 34.520 34 HA GLU 5 HA GLU 5 41.479 42.824 37.076 35 HB2 GLU 5 HB2 GLU 5 43.584 43.201 34.915 36 HB3 GLU 5 HB1 GLU 5 43.885 42.520 36.522 37 HG2 GLU 5 HG2 GLU 5 42.211 40.735 36.071 38 HG3 GLU 5 HG1 GLU 5 41.960 41.372 34.451 39 H ALA 6 HN ALA 6 42.026 43.966 38.784 40 HA ALA 6 HA ALA 6 42.321 46.799 38.816 41 HB1 ALA 6 HB1 ALA 6 42.863 46.376 41.219 42 HB2 ALA 6 HB2 ALA 6 42.964 44.639 40.877 43 HB3 ALA 6 HB3 ALA 6 41.415 45.479 40.703 44 H LEU 7 HN LEU 7 44.062 48.033 38.414 45 HA LEU 7 HA LEU 7 46.713 46.854 38.050 46 HB2 LEU 7 HB2 LEU 7 45.732 49.736 37.954 47 HB3 LEU 7 HB1 LEU 7 47.340 49.197 37.492 48 HG LEU 7 HG LEU 7 44.728 48.483 36.097 49 HD11 LEU 7 HD11 LEU 7 47.146 50.105 35.189 50 HD12 LEU 7 HD12 LEU 7 45.606 50.788 35.745 51 HD13 LEU 7 HD13 LEU 7 45.659 49.814 34.263 52 HD21 LEU 7 HD21 LEU 7 46.187 46.532 35.909 53 HD22 LEU 7 HD22 LEU 7 47.575 47.563 35.490 54 HD23 LEU 7 HD23 LEU 7 46.205 47.402 34.373 55 H TYR 8 HN TYR 8 45.113 48.148 40.800 56 HA TYR 8 HA TYR 8 47.658 48.405 42.310 57 HB2 TYR 8 HB2 TYR 8 45.559 50.588 42.017 58 HB3 TYR 8 HB1 TYR 8 46.856 50.611 43.203 59 HD1 TYR 8 HD1 TYR 8 49.288 50.360 42.342 60 HD2 TYR 8 HD2 TYR 8 45.974 51.516 39.845 61 HE1 TYR 8 HE1 TYR 8 50.880 51.199 40.629 62 HE2 TYR 8 HE2 TYR 8 47.557 52.357 38.124 63 HH TYR 8 HH TYR 8 49.776 52.584 37.528 64 H ASP 9 HN ASP 9 47.203 48.886 44.681 65 HA ASP 9 HA ASP 9 45.130 46.996 45.635 66 HB2 ASP 9 HB2 ASP 9 47.364 48.348 47.177 67 HB3 ASP 9 HB1 ASP 9 46.343 47.024 47.727 68 H TYR 10 HN TYR 10 43.618 47.505 47.237 69 HA TYR 10 HA TYR 10 42.870 50.310 47.760 70 HB2 TYR 10 HB2 TYR 10 42.159 49.772 45.427 71 HB3 TYR 10 HB1 TYR 10 41.279 48.377 46.032 72 HD1 TYR 10 HD1 TYR 10 41.503 52.075 46.765 73 HD2 TYR 10 HD2 TYR 10 38.955 48.649 46.164 74 HE1 TYR 10 HE1 TYR 10 39.497 53.496 47.141 75 HE2 TYR 10 HE2 TYR 10 36.954 50.066 46.535 76 HH TYR 10 HH TYR 10 36.187 52.169 47.106 77 H GLU 11 HN GLU 11 40.757 50.445 48.981 78 HA GLU 11 HA GLU 11 39.821 48.051 50.358 79 HB2 GLU 11 HB2 GLU 11 41.805 48.820 51.719 80 HB3 GLU 11 HB1 GLU 11 40.991 50.362 51.961 81 HG2 GLU 11 HG2 GLU 11 40.618 49.025 53.907 82 HG3 GLU 11 HG1 GLU 11 39.084 49.126 53.063 83 H ALA 12 HN ALA 12 37.697 48.193 50.543 84 HA ALA 12 HA ALA 12 36.243 50.219 49.282 85 HB1 ALA 12 HB1 ALA 12 35.357 47.990 51.155 86 HB2 ALA 12 HB2 ALA 12 35.550 47.877 49.393 87 HB3 ALA 12 HB3 ALA 12 34.283 48.909 50.084 88 H ARG 13 HN ARG 13 34.953 51.764 49.865 89 HA ARG 13 HA ARG 13 35.617 53.155 52.375 90 HB2 ARG 13 HB2 ARG 13 34.280 54.078 49.799 91 HB3 ARG 13 HB1 ARG 13 34.738 55.137 51.123 92 HG2 ARG 13 HG2 ARG 13 36.707 53.509 49.450 93 HG3 ARG 13 HG1 ARG 13 36.275 55.192 49.179 94 HD2 ARG 13 HD2 ARG 13 38.293 55.334 50.313 95 HD3 ARG 13 HD1 ARG 13 37.095 55.655 51.571 96 HE ARG 13 HE ARG 13 38.221 52.918 51.114 97 HH11 ARG 13 HH11 ARG 13 38.000 55.614 53.403 98 HH12 ARG 13 HH12 ARG 13 38.487 54.603 54.739 99 HH21 ARG 13 HH21 ARG 13 38.762 51.719 52.786 100 HH22 ARG 13 HH22 ARG 13 38.935 52.382 54.396 101 H THR 14 HN THR 14 32.674 51.889 50.799 102 HA THR 14 HA THR 14 30.975 52.945 53.002 103 HB THR 14 HB THR 14 29.205 53.230 51.563 104 HG1 THR 14 HG1 THR 14 30.560 51.758 49.615 105 HG21 THR 14 HG21 THR 14 29.892 54.535 49.645 106 HG22 THR 14 HG22 THR 14 31.509 53.829 49.656 107 HG23 THR 14 HG23 THR 14 30.998 54.891 50.989 108 H GLU 15 HN GLU 15 28.891 51.069 51.850 109 HA GLU 15 HA GLU 15 29.767 48.509 53.122 110 HB2 GLU 15 HB2 GLU 15 26.968 49.701 52.958 111 HB3 GLU 15 HB1 GLU 15 27.413 48.168 53.719 112 HG2 GLU 15 HG2 GLU 15 28.823 49.394 55.359 113 HG3 GLU 15 HG1 GLU 15 28.349 50.925 54.630 114 H ASP 16 HN ASP 16 29.184 49.944 50.170 115 HA ASP 16 HA ASP 16 27.949 47.534 48.885 116 HB2 ASP 16 HB2 ASP 16 27.608 50.503 48.326 117 HB3 ASP 16 HB1 ASP 16 26.958 49.221 47.319 118 H ASP 17 HN ASP 17 30.672 49.735 48.748 119 HA ASP 17 HA ASP 17 31.447 48.753 46.071 120 HB2 ASP 17 HB2 ASP 17 33.291 50.249 46.151 121 HB3 ASP 17 HB1 ASP 17 31.799 51.116 46.453 122 H LEU 18 HN LEU 18 33.952 48.224 46.074 123 HA LEU 18 HA LEU 18 34.118 45.789 47.807 124 HB2 LEU 18 HB2 LEU 18 34.490 45.890 44.794 125 HB3 LEU 18 HB1 LEU 18 34.661 44.469 45.811 126 HG LEU 18 HG LEU 18 32.049 45.978 45.338 127 HD11 LEU 18 HD11 LEU 18 31.446 44.055 43.952 128 HD12 LEU 18 HD12 LEU 18 33.007 43.280 44.296 129 HD13 LEU 18 HD13 LEU 18 32.951 44.785 43.357 130 HD21 LEU 18 HD21 LEU 18 32.577 43.359 46.815 131 HD22 LEU 18 HD22 LEU 18 30.978 44.031 46.428 132 HD23 LEU 18 HD23 LEU 18 32.040 44.882 47.555 133 H SER 19 HN SER 19 36.084 44.904 48.136 134 HA SER 19 HA SER 19 38.365 46.777 47.796 135 HB2 SER 19 HB2 SER 19 38.078 44.337 49.576 136 HB3 SER 19 HB1 SER 19 39.353 45.574 49.625 137 HG SER 19 HG SER 19 37.924 46.255 51.039 138 H PHE 20 HN PHE 20 40.396 46.136 46.999 139 HA PHE 20 HA PHE 20 40.712 43.431 45.953 140 HB2 PHE 20 HB2 PHE 20 41.151 44.286 43.661 141 HB3 PHE 20 HB1 PHE 20 39.485 44.397 44.191 142 HD1 PHE 20 HD1 PHE 20 42.603 46.412 43.737 143 HD2 PHE 20 HD2 PHE 20 38.303 46.450 43.970 144 HE1 PHE 20 HE1 PHE 20 42.572 48.738 42.861 145 HE2 PHE 20 HE2 PHE 20 38.277 48.777 43.115 146 HZ PHE 20 HZ PHE 20 40.410 49.916 42.535 147 H HIS 21 HN HIS 21 42.729 43.286 44.729 148 HA HIS 21 HA HIS 21 44.954 44.957 45.680 149 HB2 HIS 21 HB2 HIS 21 44.817 41.922 45.850 150 HB3 HIS 21 HB1 HIS 21 46.339 42.773 45.633 151 HD1 HIS 21 HD1 HIS 21 43.920 44.443 48.042 152 HD2 HIS 21 HD2 HIS 21 47.202 41.834 48.004 153 HE1 HIS 21 HE1 HIS 21 44.742 44.298 50.442 154 H LYS 22 HN LYS 22 46.689 44.859 44.102 155 HA LYS 22 HA LYS 22 45.942 44.965 41.396 156 HB2 LYS 22 HB2 LYS 22 48.347 45.014 40.944 157 HB3 LYS 22 HB1 LYS 22 47.925 46.020 42.329 158 HG2 LYS 22 HG2 LYS 22 48.575 43.998 43.808 159 HG3 LYS 22 HG1 LYS 22 49.292 43.299 42.351 160 HD2 LYS 22 HD2 LYS 22 50.813 45.169 42.118 161 HD3 LYS 22 HD1 LYS 22 50.024 46.057 43.425 162 HE2 LYS 22 HE2 LYS 22 51.496 43.404 43.720 163 HE3 LYS 22 HE1 LYS 22 52.136 44.987 44.145 164 HZ1 LYS 22 HZ1 LYS 22 49.825 43.654 45.432 165 HZ2 LYS 22 HZ2 LYS 22 50.250 45.186 45.730 166 HZ3 LYS 22 HZ3 LYS 22 51.280 43.974 46.119 167 H GLY 23 HN GLY 23 45.678 43.522 39.833 168 HA2 GLY 23 HA2 GLY 23 45.749 41.520 38.643 169 HA3 GLY 23 HA1 GLY 23 46.520 40.694 40.019 170 H GLU 24 HN GLU 24 43.996 42.076 41.598 171 HA GLU 24 HA GLU 24 42.300 39.798 41.486 172 HB2 GLU 24 HB2 GLU 24 42.512 41.394 43.419 173 HB3 GLU 24 HB1 GLU 24 41.608 42.579 42.460 174 HG2 GLU 24 HG2 GLU 24 40.152 41.470 44.066 175 HG3 GLU 24 HG1 GLU 24 39.642 41.076 42.440 176 H LYS 25 HN LYS 25 40.273 39.511 40.632 177 HA LYS 25 HA LYS 25 39.971 40.909 38.023 178 HB2 LYS 25 HB2 LYS 25 39.417 37.989 38.620 179 HB3 LYS 25 HB1 LYS 25 39.540 38.789 37.046 180 HG2 LYS 25 HG2 LYS 25 41.992 39.361 37.832 181 HG3 LYS 25 HG1 LYS 25 41.714 38.091 39.036 182 HD2 LYS 25 HD2 LYS 25 41.019 36.624 36.986 183 HD3 LYS 25 HD1 LYS 25 41.817 37.867 36.019 184 HE2 LYS 25 HE2 LYS 25 43.028 36.065 38.156 185 HE3 LYS 25 HE1 LYS 25 43.377 36.071 36.429 186 HZ1 LYS 25 HZ1 LYS 25 44.083 38.242 38.314 187 HZ2 LYS 25 HZ2 LYS 25 44.347 38.285 36.724 188 HZ3 LYS 25 HZ3 LYS 25 45.134 37.181 37.634 189 H PHE 26 HN PHE 26 38.190 41.833 37.568 190 HA PHE 26 HA PHE 26 35.566 40.947 38.694 191 HB2 PHE 26 HB2 PHE 26 36.567 43.733 37.954 192 HB3 PHE 26 HB1 PHE 26 34.944 43.361 38.499 193 HD1 PHE 26 HD1 PHE 26 34.456 42.815 40.840 194 HD2 PHE 26 HD2 PHE 26 38.466 43.739 39.544 195 HE1 PHE 26 HE1 PHE 26 35.180 43.030 43.205 196 HE2 PHE 26 HE2 PHE 26 39.178 43.965 41.897 197 HZ PHE 26 HZ PHE 26 37.524 43.588 43.743 198 H GLN 27 HN GLN 27 33.754 41.673 37.369 199 HA GLN 27 HA GLN 27 34.234 41.988 34.464 200 HB2 GLN 27 HB2 GLN 27 32.373 40.552 33.953 201 HB3 GLN 27 HB1 GLN 27 33.421 39.659 35.051 202 HG2 GLN 27 HG2 GLN 27 31.775 40.721 36.908 203 HG3 GLN 27 HG1 GLN 27 30.685 40.844 35.540 204 HE21 GLN 27 HE21 GLN 27 32.723 38.479 37.384 205 HE22 GLN 27 HE22 GLN 27 31.693 37.107 37.000 206 H ILE 28 HN ILE 28 32.651 43.309 33.442 207 HA ILE 28 HA ILE 28 31.539 45.364 35.288 208 HB ILE 28 HB ILE 28 32.073 45.631 32.314 209 HG12 ILE 28 HG12 ILE 28 34.254 45.246 33.166 210 HG13 ILE 28 HG11 ILE 28 34.084 46.963 32.897 211 HG21 ILE 28 HG21 ILE 28 31.522 47.655 34.528 212 HG22 ILE 28 HG22 ILE 28 30.461 47.230 33.170 213 HG23 ILE 28 HG23 ILE 28 31.984 48.070 32.868 214 HD11 ILE 28 HD11 ILE 28 34.095 45.513 35.576 215 HD12 ILE 28 HD12 ILE 28 33.637 47.221 35.402 216 HD13 ILE 28 HD13 ILE 28 35.270 46.676 34.952 217 H LEU 29 HN LEU 29 29.488 45.106 35.705 218 HA LEU 29 HA LEU 29 27.608 43.664 33.977 219 HB2 LEU 29 HB2 LEU 29 27.090 45.280 36.515 220 HB3 LEU 29 HB1 LEU 29 25.999 44.156 35.740 221 HG LEU 29 HG LEU 29 28.599 43.420 37.159 222 HD11 LEU 29 HD11 LEU 29 25.668 43.037 37.912 223 HD12 LEU 29 HD12 LEU 29 26.821 44.145 38.683 224 HD13 LEU 29 HD13 LEU 29 27.050 42.395 38.818 225 HD21 LEU 29 HD21 LEU 29 26.508 41.650 35.818 226 HD22 LEU 29 HD22 LEU 29 27.780 41.063 36.907 227 HD23 LEU 29 HD23 LEU 29 28.222 41.811 35.365 228 H ASN 30 HN ASN 30 28.277 47.034 35.000 229 HA ASN 30 HA ASN 30 27.321 48.154 32.595 230 HB2 ASN 30 HB2 ASN 30 25.099 47.624 33.674 231 HB3 ASN 30 HB1 ASN 30 25.532 48.692 34.996 232 HD21 ASN 30 HD21 ASN 30 23.616 49.983 34.440 233 HD22 ASN 30 HD22 ASN 30 23.629 51.022 33.019 234 H SER 31 HN SER 31 27.735 50.360 32.402 235 HA SER 31 HA SER 31 29.976 51.326 34.051 236 HB2 SER 31 HB2 SER 31 28.891 52.212 31.364 237 HB3 SER 31 HB1 SER 31 30.390 52.787 32.116 238 HG SER 31 HG SER 31 30.779 51.056 30.680 239 H SER 32 HN SER 32 27.806 51.646 35.468 240 HA SER 32 HA SER 32 25.793 53.106 34.560 241 HB2 SER 32 HB2 SER 32 26.287 52.507 37.492 242 HB3 SER 32 HB1 SER 32 24.760 52.437 36.587 243 HG SER 32 HG SER 32 25.519 50.417 36.683 244 H GLU 33 HN GLU 33 27.839 54.177 37.317 245 HA GLU 33 HA GLU 33 26.734 56.909 37.157 246 HB2 GLU 33 HB2 GLU 33 28.889 55.858 39.015 247 HB3 GLU 33 HB1 GLU 33 27.921 57.309 39.200 248 HG2 GLU 33 HG2 GLU 33 26.894 54.441 39.424 249 HG3 GLU 33 HG1 GLU 33 27.215 55.535 40.748 250 H GLY 34 HN GLY 34 28.995 55.208 35.460 251 HA2 GLY 34 HA2 GLY 34 30.721 55.706 34.052 252 HA3 GLY 34 HA1 GLY 34 30.518 57.428 34.448 253 H ASP 35 HN ASP 35 31.004 57.572 37.010 254 HA ASP 35 HA ASP 35 33.881 57.196 37.380 255 HB2 ASP 35 HB2 ASP 35 32.414 59.272 37.845 256 HB3 ASP 35 HB1 ASP 35 31.822 58.420 39.254 257 H TRP 36 HN TRP 36 30.885 55.778 38.587 258 HA TRP 36 HA TRP 36 32.456 53.700 40.024 259 HB2 TRP 36 HB2 TRP 36 29.916 55.043 41.023 260 HB3 TRP 36 HB1 TRP 36 30.590 53.567 41.692 261 HD1 TRP 36 HD1 TRP 36 31.454 57.284 41.345 262 HE1 TRP 36 HE1 TRP 36 33.048 57.978 43.205 263 HE3 TRP 36 HE3 TRP 36 32.238 52.698 43.480 264 HZ2 TRP 36 HZ2 TRP 36 34.417 56.734 45.424 265 HZ3 TRP 36 HZ3 TRP 36 33.711 52.490 45.473 266 HH2 TRP 36 HH2 TRP 36 34.788 54.491 46.454 267 H TRP 37 HN TRP 37 32.163 51.844 39.044 268 HA TRP 37 HA TRP 37 29.794 51.392 37.315 269 HB2 TRP 37 HB2 TRP 37 32.431 49.911 37.597 270 HB3 TRP 37 HB1 TRP 37 31.153 49.485 36.481 271 HD1 TRP 37 HD1 TRP 37 30.871 52.927 36.015 272 HE1 TRP 37 HE1 TRP 37 32.337 53.838 34.145 273 HE3 TRP 37 HE3 TRP 37 34.368 49.203 35.810 274 HZ2 TRP 37 HZ2 TRP 37 34.522 52.929 32.508 275 HZ3 TRP 37 HZ3 TRP 37 36.145 49.259 34.078 276 HH2 TRP 37 HH2 TRP 37 36.218 51.098 32.410 277 H GLU 38 HN GLU 38 28.570 49.561 37.312 278 HA GLU 38 HA GLU 38 28.359 48.025 39.829 279 HB2 GLU 38 HB2 GLU 38 26.680 48.130 37.310 280 HB3 GLU 38 HB1 GLU 38 26.452 46.927 38.593 281 HG2 GLU 38 HG2 GLU 38 25.990 48.638 40.240 282 HG3 GLU 38 HG1 GLU 38 26.400 49.928 39.113 283 H VAL 39 HN VAL 39 29.728 46.602 39.997 284 HA VAL 39 HA VAL 39 30.577 44.804 37.760 285 HB VAL 39 HB VAL 39 32.769 44.591 38.742 286 HG11 VAL 39 HG11 VAL 39 32.113 47.555 38.656 287 HG12 VAL 39 HG12 VAL 39 32.281 46.525 37.221 288 HG13 VAL 39 HG13 VAL 39 33.663 46.762 38.305 289 HG21 VAL 39 HG21 VAL 39 33.551 45.804 40.682 290 HG22 VAL 39 HG22 VAL 39 32.241 44.716 41.130 291 HG23 VAL 39 HG23 VAL 39 31.926 46.462 40.982 292 H ARG 40 HN ARG 40 31.635 42.837 38.562 293 HA ARG 40 HA ARG 40 30.665 41.646 41.042 294 HB2 ARG 40 HB2 ARG 40 28.886 41.085 39.470 295 HB3 ARG 40 HB1 ARG 40 30.040 40.454 38.299 296 HG2 ARG 40 HG2 ARG 40 30.582 38.576 39.749 297 HG3 ARG 40 HG1 ARG 40 29.670 39.295 41.088 298 HD2 ARG 40 HD2 ARG 40 28.385 37.496 40.068 299 HD3 ARG 40 HD1 ARG 40 27.578 39.057 39.878 300 HE ARG 40 HE ARG 40 29.225 38.276 37.581 301 HH11 ARG 40 HH11 ARG 40 25.982 37.904 38.968 302 HH12 ARG 40 HH12 ARG 40 25.270 37.610 37.401 303 HH21 ARG 40 HH21 ARG 40 28.253 37.938 35.659 304 HH22 ARG 40 HH22 ARG 40 26.541 37.617 35.530 305 H SER 41 HN SER 41 32.253 40.281 41.858 306 HA SER 41 HA SER 41 34.895 40.267 40.648 307 HB2 SER 41 HB2 SER 41 35.399 38.800 42.581 308 HB3 SER 41 HB1 SER 41 34.604 40.317 43.055 309 HG SER 41 HG SER 41 33.752 38.208 43.888 310 H LEU 42 HN LEU 42 35.892 38.622 39.589 311 HA LEU 42 HA LEU 42 34.286 36.478 38.414 312 HB2 LEU 42 HB2 LEU 42 36.117 37.768 37.228 313 HB3 LEU 42 HB1 LEU 42 37.291 36.999 38.292 314 HG LEU 42 HG LEU 42 36.598 34.762 37.389 315 HD11 LEU 42 HD11 LEU 42 34.294 35.281 36.632 316 HD12 LEU 42 HD12 LEU 42 35.268 34.690 35.287 317 HD13 LEU 42 HD13 LEU 42 34.936 36.429 35.437 318 HD21 LEU 42 HD21 LEU 42 37.480 36.806 35.308 319 HD22 LEU 42 HD22 LEU 42 37.725 35.046 35.220 320 HD23 LEU 42 HD23 LEU 42 38.536 35.990 36.481 321 H THR 43 HN THR 43 36.939 36.669 40.724 322 HA THR 43 HA THR 43 37.502 34.082 41.373 323 HB THR 43 HB THR 43 37.456 36.632 42.989 324 HG1 THR 43 HG1 THR 43 39.450 36.668 42.199 325 HG21 THR 43 HG21 THR 43 38.891 34.069 43.801 326 HG22 THR 43 HG22 THR 43 37.547 34.825 44.693 327 HG23 THR 43 HG23 THR 43 39.078 35.684 44.526 328 H THR 44 HN THR 44 34.932 35.950 43.076 329 HA THR 44 HA THR 44 33.851 33.423 44.214 330 HB THR 44 HB THR 44 32.805 35.168 45.790 331 HG1 THR 44 HG1 THR 44 33.969 37.105 45.712 332 HG21 THR 44 HG21 THR 44 34.909 33.808 46.336 333 HG22 THR 44 HG22 THR 44 34.673 35.322 47.210 334 HG23 THR 44 HG23 THR 44 35.838 35.265 45.879 335 H GLY 45 HN GLY 45 32.802 36.427 42.555 336 HA2 GLY 45 HA2 GLY 45 30.808 36.709 41.306 337 HA3 GLY 45 HA1 GLY 45 30.079 35.291 42.102 338 H GLU 46 HN GLU 46 31.746 37.795 43.921 339 HA GLU 46 HA GLU 46 29.313 38.664 45.353 340 HB2 GLU 46 HB2 GLU 46 32.226 39.529 45.484 341 HB3 GLU 46 HB1 GLU 46 30.942 40.243 46.456 342 HG2 GLU 46 HG2 GLU 46 30.591 38.275 47.710 343 HG3 GLU 46 HG1 GLU 46 31.444 37.254 46.558 344 H THR 47 HN THR 47 28.271 40.613 44.964 345 HA THR 47 HA THR 47 29.006 42.106 42.475 346 HB THR 47 HB THR 47 26.312 41.523 43.750 347 HG1 THR 47 HG1 THR 47 27.180 39.925 42.460 348 HG21 THR 47 HG21 THR 47 25.331 42.669 41.756 349 HG22 THR 47 HG22 THR 47 26.938 43.330 41.379 350 HG23 THR 47 HG23 THR 47 26.102 43.776 42.891 351 H GLY 48 HN GLY 48 28.842 44.305 42.477 352 HA2 GLY 48 HA2 GLY 48 27.761 46.060 44.285 353 HA3 GLY 48 HA1 GLY 48 29.328 45.722 44.984 354 H TYR 49 HN TYR 49 29.976 47.785 44.745 355 HA TYR 49 HA TYR 49 30.398 48.926 42.027 356 HB2 TYR 49 HB2 TYR 49 29.935 50.117 44.773 357 HB3 TYR 49 HB1 TYR 49 30.697 51.065 43.515 358 HD1 TYR 49 HD1 TYR 49 29.547 51.602 41.408 359 HD2 TYR 49 HD2 TYR 49 27.522 49.627 44.655 360 HE1 TYR 49 HE1 TYR 49 27.357 52.283 40.446 361 HE2 TYR 49 HE2 TYR 49 25.326 50.279 43.690 362 HH TYR 49 HH TYR 49 24.255 51.409 41.992 363 H ILE 50 HN ILE 50 32.283 50.545 42.058 364 HA ILE 50 HA ILE 50 34.600 50.070 43.594 365 HB ILE 50 HB ILE 50 36.103 49.464 41.593 366 HG12 ILE 50 HG12 ILE 50 35.118 47.789 40.016 367 HG13 ILE 50 HG11 ILE 50 33.511 48.297 40.491 368 HG21 ILE 50 HG21 ILE 50 36.156 47.183 42.132 369 HG22 ILE 50 HG22 ILE 50 34.453 47.138 42.588 370 HG23 ILE 50 HG23 ILE 50 35.629 48.010 43.604 371 HD11 ILE 50 HD11 ILE 50 33.740 50.408 39.432 372 HD12 ILE 50 HD12 ILE 50 34.538 49.276 38.330 373 HD13 ILE 50 HD13 ILE 50 35.521 50.298 39.392 374 HA PRO 51 HA PRO 51 35.269 54.089 41.651 375 HB2 PRO 51 HB2 PRO 51 37.823 54.688 42.338 376 HB3 PRO 51 HB1 PRO 51 36.494 54.632 43.535 377 HG2 PRO 51 HG2 PRO 51 38.523 52.457 42.913 378 HG3 PRO 51 HG1 PRO 51 38.031 53.100 44.509 379 HD2 PRO 51 HD2 PRO 51 36.950 50.809 43.419 380 HD3 PRO 51 HD1 PRO 51 35.990 51.917 44.441 381 H SER 52 HN SER 52 35.097 53.714 39.519 382 HA SER 52 HA SER 52 36.573 52.047 37.896 383 HB2 SER 52 HB2 SER 52 35.036 54.518 37.008 384 HB3 SER 52 HB1 SER 52 35.353 53.036 36.098 385 HG SER 52 HG SER 52 33.360 52.816 36.998 386 HA PRO 53 HA PRO 53 39.293 55.778 36.385 387 HB2 PRO 53 HB2 PRO 53 39.447 57.369 38.935 388 HB3 PRO 53 HB1 PRO 53 39.491 57.944 37.242 389 HG2 PRO 53 HG2 PRO 53 37.258 58.206 38.751 390 HG3 PRO 53 HG1 PRO 53 37.133 57.713 37.027 391 HD2 PRO 53 HD2 PRO 53 37.027 55.977 39.496 392 HD3 PRO 53 HD1 PRO 53 35.994 55.950 38.038 393 H TYR 54 HN TYR 54 39.424 54.344 39.611 394 HA TYR 54 HA TYR 54 42.395 54.479 39.693 395 HB2 TYR 54 HB2 TYR 54 41.051 55.276 41.609 396 HB3 TYR 54 HB1 TYR 54 40.348 53.676 41.794 397 HD1 TYR 54 HD1 TYR 54 43.590 55.550 41.807 398 HD2 TYR 54 HD2 TYR 54 41.487 52.019 43.111 399 HE1 TYR 54 HE1 TYR 54 45.537 54.913 43.217 400 HE2 TYR 54 HE2 TYR 54 43.437 51.373 44.509 401 HH TYR 54 HH TYR 54 45.532 51.954 45.208 402 H LEU 55 HN LEU 55 39.768 52.117 39.689 403 HA LEU 55 HA LEU 55 41.215 49.671 39.828 404 HB2 LEU 55 HB2 LEU 55 38.697 50.031 39.848 405 HB3 LEU 55 HB1 LEU 55 38.779 50.400 38.133 406 HG LEU 55 HG LEU 55 39.732 48.048 37.775 407 HD11 LEU 55 HD11 LEU 55 40.428 47.639 40.163 408 HD12 LEU 55 HD12 LEU 55 39.333 46.390 39.543 409 HD13 LEU 55 HD13 LEU 55 38.713 47.649 40.626 410 HD21 LEU 55 HD21 LEU 55 36.965 48.398 38.992 411 HD22 LEU 55 HD22 LEU 55 37.469 46.994 38.022 412 HD23 LEU 55 HD23 LEU 55 37.394 48.601 37.278 413 H ALA 56 HN ALA 56 40.419 51.725 37.030 414 HA ALA 56 HA ALA 56 42.135 50.292 35.148 415 HB1 ALA 56 HB1 ALA 56 41.154 51.885 33.560 416 HB2 ALA 56 HB2 ALA 56 40.522 52.873 34.888 417 HB3 ALA 56 HB3 ALA 56 39.867 51.250 34.597 Start of MODEL 10 1 H SER 1 H SER 1 30.593 44.488 31.017 2 HA SER 1 HA SER 1 30.094 42.170 30.942 3 HB2 SER 1 HB2 SER 1 29.496 40.936 29.132 4 HB3 SER 1 HB1 SER 1 28.570 42.419 28.886 5 HG SER 1 HG SER 1 30.219 43.048 27.439 6 H THR 2 HN THR 2 32.233 44.419 29.786 7 HA THR 2 HA THR 2 34.514 42.875 28.952 8 HB THR 2 HB THR 2 35.721 45.037 29.626 9 HG1 THR 2 HG1 THR 2 34.087 45.662 31.100 10 HG21 THR 2 HG21 THR 2 34.955 44.649 27.295 11 HG22 THR 2 HG22 THR 2 34.888 46.353 27.779 12 HG23 THR 2 HG23 THR 2 33.390 45.401 27.708 13 H LEU 3 HN LEU 3 36.193 42.062 30.105 14 HA LEU 3 HA LEU 3 36.089 42.195 33.052 15 HB2 LEU 3 HB2 LEU 3 37.639 40.368 33.053 16 HB3 LEU 3 HB1 LEU 3 36.301 40.009 31.997 17 HG LEU 3 HG LEU 3 37.856 40.679 30.027 18 HD11 LEU 3 HD11 LEU 3 39.756 41.752 31.120 19 HD12 LEU 3 HD12 LEU 3 40.308 40.196 30.524 20 HD13 LEU 3 HD13 LEU 3 39.939 40.383 32.245 21 HD21 LEU 3 HD21 LEU 3 38.839 38.418 29.995 22 HD22 LEU 3 HD22 LEU 3 37.165 38.373 30.555 23 HD23 LEU 3 HD23 LEU 3 38.494 38.229 31.726 24 H PHE 4 HN PHE 4 38.094 42.408 34.143 25 HA PHE 4 HA PHE 4 40.454 43.590 33.024 26 HB2 PHE 4 HB2 PHE 4 38.774 45.565 33.239 27 HB3 PHE 4 HB1 PHE 4 38.998 45.405 34.970 28 HD1 PHE 4 HD1 PHE 4 40.997 45.643 31.779 29 HD2 PHE 4 HD2 PHE 4 40.690 46.785 35.926 30 HE1 PHE 4 HE1 PHE 4 42.976 47.114 31.524 31 HE2 PHE 4 HE2 PHE 4 42.636 48.288 35.652 32 HZ PHE 4 HZ PHE 4 43.794 48.448 33.451 33 H GLU 5 HN GLU 5 42.161 43.891 34.668 34 HA GLU 5 HA GLU 5 41.765 42.088 37.027 35 HB2 GLU 5 HB2 GLU 5 44.364 42.721 35.586 36 HB3 GLU 5 HB1 GLU 5 44.136 41.637 36.965 37 HG2 GLU 5 HG2 GLU 5 42.567 40.263 35.505 38 HG3 GLU 5 HG1 GLU 5 43.071 41.250 34.140 39 H ALA 6 HN ALA 6 42.437 42.807 39.041 40 HA ALA 6 HA ALA 6 42.544 45.531 39.608 41 HB1 ALA 6 HB1 ALA 6 41.777 43.967 41.246 42 HB2 ALA 6 HB2 ALA 6 43.294 44.621 41.891 43 HB3 ALA 6 HB3 ALA 6 43.271 43.012 41.144 44 H LEU 7 HN LEU 7 44.021 46.930 39.344 45 HA LEU 7 HA LEU 7 46.807 46.332 38.610 46 HB2 LEU 7 HB2 LEU 7 45.300 48.950 39.035 47 HB3 LEU 7 HB1 LEU 7 46.917 48.811 38.356 48 HG LEU 7 HG LEU 7 44.389 47.669 37.084 49 HD11 LEU 7 HD11 LEU 7 45.982 50.199 36.509 50 HD12 LEU 7 HD12 LEU 7 44.301 50.080 37.071 51 HD13 LEU 7 HD13 LEU 7 44.729 49.542 35.440 52 HD21 LEU 7 HD21 LEU 7 47.233 47.896 36.000 53 HD22 LEU 7 HD22 LEU 7 45.808 47.389 35.069 54 HD23 LEU 7 HD23 LEU 7 46.379 46.387 36.404 55 H TYR 8 HN TYR 8 45.043 47.382 41.463 56 HA TYR 8 HA TYR 8 47.337 46.971 43.204 57 HB2 TYR 8 HB2 TYR 8 47.166 49.255 44.185 58 HB3 TYR 8 HB1 TYR 8 47.832 49.214 42.570 59 HD1 TYR 8 HD1 TYR 8 44.902 50.236 44.600 60 HD2 TYR 8 HD2 TYR 8 46.695 50.248 40.684 61 HE1 TYR 8 HE1 TYR 8 43.306 51.994 43.881 62 HE2 TYR 8 HE2 TYR 8 45.078 51.989 39.946 63 HH TYR 8 HH TYR 8 42.655 53.386 42.173 64 H ASP 9 HN ASP 9 46.779 46.930 45.445 65 HA ASP 9 HA ASP 9 44.209 45.815 45.993 66 HB2 ASP 9 HB2 ASP 9 46.185 46.754 48.081 67 HB3 ASP 9 HB1 ASP 9 44.995 45.467 48.194 68 H TYR 10 HN TYR 10 42.639 46.493 47.435 69 HA TYR 10 HA TYR 10 42.330 49.333 48.176 70 HB2 TYR 10 HB2 TYR 10 41.792 49.170 45.761 71 HB3 TYR 10 HB1 TYR 10 40.646 47.883 46.088 72 HD1 TYR 10 HD1 TYR 10 41.394 51.460 46.960 73 HD2 TYR 10 HD2 TYR 10 38.370 48.448 46.379 74 HE1 TYR 10 HE1 TYR 10 39.622 53.184 47.247 75 HE2 TYR 10 HE2 TYR 10 36.597 50.154 46.699 76 HH TYR 10 HH TYR 10 36.159 52.365 47.249 77 H GLU 11 HN GLU 11 40.331 49.727 49.429 78 HA GLU 11 HA GLU 11 38.931 47.414 50.564 79 HB2 GLU 11 HB2 GLU 11 41.076 47.550 51.836 80 HB3 GLU 11 HB1 GLU 11 40.715 49.226 52.238 81 HG2 GLU 11 HG2 GLU 11 40.143 47.862 54.121 82 HG3 GLU 11 HG1 GLU 11 38.646 48.461 53.439 83 H ALA 12 HN ALA 12 36.930 47.965 50.852 84 HA ALA 12 HA ALA 12 35.988 50.177 49.617 85 HB1 ALA 12 HB1 ALA 12 33.754 49.341 50.345 86 HB2 ALA 12 HB2 ALA 12 34.566 48.268 51.506 87 HB3 ALA 12 HB3 ALA 12 34.831 48.063 49.761 88 H ARG 13 HN ARG 13 35.615 52.137 49.995 89 HA ARG 13 HA ARG 13 36.281 53.364 52.517 90 HB2 ARG 13 HB2 ARG 13 35.362 54.499 49.845 91 HB3 ARG 13 HB1 ARG 13 35.962 55.478 51.175 92 HG2 ARG 13 HG2 ARG 13 37.613 53.360 49.713 93 HG3 ARG 13 HG1 ARG 13 37.606 55.078 49.353 94 HD2 ARG 13 HD2 ARG 13 39.517 54.785 50.643 95 HD3 ARG 13 HD1 ARG 13 38.350 55.485 51.764 96 HE ARG 13 HE ARG 13 38.834 52.531 51.560 97 HH11 ARG 13 HH11 ARG 13 38.746 55.350 53.707 98 HH12 ARG 13 HH12 ARG 13 38.824 54.348 55.132 99 HH21 ARG 13 HH21 ARG 13 38.940 51.352 53.339 100 HH22 ARG 13 HH22 ARG 13 38.969 52.073 54.932 101 H THR 14 HN THR 14 33.196 52.701 50.956 102 HA THR 14 HA THR 14 31.788 53.965 53.282 103 HB THR 14 HB THR 14 29.859 54.241 52.078 104 HG1 THR 14 HG1 THR 14 30.881 52.562 50.081 105 HG21 THR 14 HG21 THR 14 31.961 54.671 49.907 106 HG22 THR 14 HG22 THR 14 31.550 55.824 51.201 107 HG23 THR 14 HG23 THR 14 30.343 55.383 49.980 108 H GLU 15 HN GLU 15 32.152 50.989 51.455 109 HA GLU 15 HA GLU 15 32.217 48.851 52.233 110 HB2 GLU 15 HB2 GLU 15 30.245 49.544 54.444 111 HB3 GLU 15 HB1 GLU 15 30.890 47.958 54.074 112 HG2 GLU 15 HG2 GLU 15 33.186 48.698 54.496 113 HG3 GLU 15 HG1 GLU 15 32.629 50.321 54.876 114 H ASP 16 HN ASP 16 29.752 50.787 51.045 115 HA ASP 16 HA ASP 16 28.074 48.585 50.010 116 HB2 ASP 16 HB2 ASP 16 27.229 50.920 50.548 117 HB3 ASP 16 HB1 ASP 16 28.210 51.516 49.215 118 H ASP 17 HN ASP 17 30.957 50.305 49.226 119 HA ASP 17 HA ASP 17 31.166 49.425 46.446 120 HB2 ASP 17 HB2 ASP 17 33.319 50.618 46.514 121 HB3 ASP 17 HB1 ASP 17 31.909 51.598 46.860 122 H LEU 18 HN LEU 18 33.489 48.452 45.938 123 HA LEU 18 HA LEU 18 33.521 45.883 47.438 124 HB2 LEU 18 HB2 LEU 18 32.398 45.589 45.294 125 HB3 LEU 18 HB1 LEU 18 33.747 46.354 44.450 126 HG LEU 18 HG LEU 18 35.243 44.499 45.062 127 HD11 LEU 18 HD11 LEU 18 34.263 43.762 47.222 128 HD12 LEU 18 HD12 LEU 18 34.375 42.425 46.083 129 HD13 LEU 18 HD13 LEU 18 32.805 43.205 46.371 130 HD21 LEU 18 HD21 LEU 18 32.632 43.561 43.813 131 HD22 LEU 18 HD22 LEU 18 34.210 42.759 43.665 132 HD23 LEU 18 HD23 LEU 18 33.978 44.370 42.973 133 H SER 19 HN SER 19 35.312 45.397 48.287 134 HA SER 19 HA SER 19 37.852 46.708 47.834 135 HB2 SER 19 HB2 SER 19 37.223 44.233 49.469 136 HB3 SER 19 HB1 SER 19 38.527 45.407 49.719 137 HG SER 19 HG SER 19 36.933 45.990 51.050 138 H PHE 20 HN PHE 20 39.837 45.721 47.136 139 HA PHE 20 HA PHE 20 39.647 43.125 45.736 140 HB2 PHE 20 HB2 PHE 20 40.204 45.836 44.521 141 HB3 PHE 20 HB1 PHE 20 41.008 44.427 43.870 142 HD1 PHE 20 HD1 PHE 20 39.597 42.381 43.196 143 HD2 PHE 20 HD2 PHE 20 37.961 46.333 43.758 144 HE1 PHE 20 HE1 PHE 20 37.656 41.776 41.787 145 HE2 PHE 20 HE2 PHE 20 36.027 45.726 42.324 146 HZ PHE 20 HZ PHE 20 35.861 43.454 41.350 147 H HIS 21 HN HIS 21 41.709 42.427 44.916 148 HA HIS 21 HA HIS 21 44.054 43.096 46.589 149 HB2 HIS 21 HB2 HIS 21 43.012 41.123 47.607 150 HB3 HIS 21 HB1 HIS 21 42.915 40.314 46.053 151 HD1 HIS 21 HD1 HIS 21 46.137 41.959 47.477 152 HD2 HIS 21 HD2 HIS 21 44.424 38.245 46.562 153 HE1 HIS 21 HE1 HIS 21 47.938 40.233 47.892 154 H LYS 22 HN LYS 22 45.991 42.956 45.390 155 HA LYS 22 HA LYS 22 45.899 43.523 42.682 156 HB2 LYS 22 HB2 LYS 22 48.304 43.217 42.660 157 HB3 LYS 22 HB1 LYS 22 47.780 44.073 44.105 158 HG2 LYS 22 HG2 LYS 22 48.087 42.063 45.483 159 HG3 LYS 22 HG1 LYS 22 48.420 41.092 44.048 160 HD2 LYS 22 HD2 LYS 22 50.499 41.537 45.134 161 HD3 LYS 22 HD1 LYS 22 50.451 42.355 43.584 162 HE2 LYS 22 HE2 LYS 22 51.515 43.811 45.128 163 HE3 LYS 22 HE1 LYS 22 49.947 44.512 44.750 164 HZ1 LYS 22 HZ1 LYS 22 50.545 44.541 47.137 165 HZ2 LYS 22 HZ2 LYS 22 50.440 42.902 47.196 166 HZ3 LYS 22 HZ3 LYS 22 49.131 43.847 46.835 167 H GLY 23 HN GLY 23 45.999 42.508 40.814 168 HA2 GLY 23 HA2 GLY 23 45.934 40.855 39.204 169 HA3 GLY 23 HA1 GLY 23 46.568 39.712 40.410 170 H GLU 24 HN GLU 24 43.745 40.764 41.849 171 HA GLU 24 HA GLU 24 42.185 38.475 41.078 172 HB2 GLU 24 HB2 GLU 24 41.403 41.061 42.475 173 HB3 GLU 24 HB1 GLU 24 40.327 39.686 42.259 174 HG2 GLU 24 HG2 GLU 24 42.956 39.558 43.786 175 HG3 GLU 24 HG1 GLU 24 41.364 39.804 44.506 176 H LYS 25 HN LYS 25 40.370 38.336 39.764 177 HA LYS 25 HA LYS 25 40.303 40.365 37.576 178 HB2 LYS 25 HB2 LYS 25 39.366 37.478 37.461 179 HB3 LYS 25 HB1 LYS 25 39.565 38.615 36.142 180 HG2 LYS 25 HG2 LYS 25 41.463 37.417 35.838 181 HG3 LYS 25 HG1 LYS 25 42.113 38.652 36.925 182 HD2 LYS 25 HD2 LYS 25 42.044 37.116 38.814 183 HD3 LYS 25 HD1 LYS 25 41.059 35.970 37.900 184 HE2 LYS 25 HE2 LYS 25 43.276 35.106 38.023 185 HE3 LYS 25 HE1 LYS 25 42.936 35.550 36.355 186 HZ1 LYS 25 HZ1 LYS 25 44.452 37.289 38.214 187 HZ2 LYS 25 HZ2 LYS 25 44.283 37.500 36.623 188 HZ3 LYS 25 HZ3 LYS 25 45.164 36.246 37.152 189 H PHE 26 HN PHE 26 38.438 41.302 36.910 190 HA PHE 26 HA PHE 26 35.848 40.485 38.079 191 HB2 PHE 26 HB2 PHE 26 35.352 42.754 38.775 192 HB3 PHE 26 HB1 PHE 26 36.751 42.116 39.609 193 HD1 PHE 26 HD1 PHE 26 35.681 44.468 36.893 194 HD2 PHE 26 HD2 PHE 26 38.858 43.264 39.555 195 HE1 PHE 26 HE1 PHE 26 36.892 46.574 36.410 196 HE2 PHE 26 HE2 PHE 26 40.059 45.375 39.068 197 HZ PHE 26 HZ PHE 26 39.062 47.049 37.523 198 H GLN 27 HN GLN 27 34.045 41.644 37.124 199 HA GLN 27 HA GLN 27 34.349 42.381 34.256 200 HB2 GLN 27 HB2 GLN 27 33.509 40.066 34.511 201 HB3 GLN 27 HB1 GLN 27 32.255 40.627 35.622 202 HG2 GLN 27 HG2 GLN 27 31.208 41.924 33.764 203 HG3 GLN 27 HG1 GLN 27 32.492 41.367 32.685 204 HE21 GLN 27 HE21 GLN 27 31.539 39.861 31.296 205 HE22 GLN 27 HE22 GLN 27 30.481 38.561 31.833 206 H ILE 28 HN ILE 28 32.986 44.020 33.630 207 HA ILE 28 HA ILE 28 31.658 45.647 35.763 208 HB ILE 28 HB ILE 28 32.524 46.486 32.977 209 HG12 ILE 28 HG12 ILE 28 34.479 46.429 34.368 210 HG13 ILE 28 HG11 ILE 28 34.006 48.097 34.126 211 HG21 ILE 28 HG21 ILE 28 31.786 48.776 33.696 212 HG22 ILE 28 HG22 ILE 28 31.024 48.045 35.123 213 HG23 ILE 28 HG23 ILE 28 30.464 47.631 33.490 214 HD11 ILE 28 HD11 ILE 28 32.932 48.047 36.446 215 HD12 ILE 28 HD12 ILE 28 34.693 47.873 36.391 216 HD13 ILE 28 HD13 ILE 28 33.679 46.443 36.655 217 H LEU 29 HN LEU 29 29.589 45.517 35.878 218 HA LEU 29 HA LEU 29 27.931 44.123 33.874 219 HB2 LEU 29 HB2 LEU 29 27.384 45.170 36.689 220 HB3 LEU 29 HB1 LEU 29 26.286 44.177 35.746 221 HG LEU 29 HG LEU 29 29.033 43.261 36.728 222 HD11 LEU 29 HD11 LEU 29 27.511 43.672 38.596 223 HD12 LEU 29 HD12 LEU 29 27.751 41.933 38.372 224 HD13 LEU 29 HD13 LEU 29 26.247 42.698 37.816 225 HD21 LEU 29 HD21 LEU 29 28.366 42.017 34.727 226 HD22 LEU 29 HD22 LEU 29 26.740 41.749 35.397 227 HD23 LEU 29 HD23 LEU 29 28.153 40.984 36.147 228 H ASN 30 HN ASN 30 28.309 47.313 35.356 229 HA ASN 30 HA ASN 30 26.924 48.581 33.153 230 HB2 ASN 30 HB2 ASN 30 24.938 48.052 34.478 231 HB3 ASN 30 HB1 ASN 30 25.677 48.783 35.906 232 HD21 ASN 30 HD21 ASN 30 24.237 50.492 36.232 233 HD22 ASN 30 HD22 ASN 30 23.973 51.786 35.070 234 H SER 31 HN SER 31 27.877 50.359 32.678 235 HA SER 31 HA SER 31 29.556 51.902 34.573 236 HB2 SER 31 HB2 SER 31 30.579 52.593 32.319 237 HB3 SER 31 HB1 SER 31 30.767 50.888 32.761 238 HG SER 31 HG SER 31 29.997 51.183 30.593 239 H SER 32 HN SER 32 26.468 52.205 33.132 240 HA SER 32 HA SER 32 26.697 54.798 31.904 241 HB2 SER 32 HB2 SER 32 24.281 53.191 32.795 242 HB3 SER 32 HB1 SER 32 24.163 54.781 32.038 243 HG SER 32 HG SER 32 25.006 52.386 30.922 244 H GLU 33 HN GLU 33 26.422 54.002 35.295 245 HA GLU 33 HA GLU 33 25.458 56.619 36.115 246 HB2 GLU 33 HB2 GLU 33 26.695 54.220 37.468 247 HB3 GLU 33 HB1 GLU 33 26.566 55.764 38.335 248 HG2 GLU 33 HG2 GLU 33 24.127 55.789 37.894 249 HG3 GLU 33 HG1 GLU 33 24.251 54.231 37.089 250 H GLY 34 HN GLY 34 28.453 55.538 34.845 251 HA2 GLY 34 HA2 GLY 34 30.200 56.739 34.060 252 HA3 GLY 34 HA1 GLY 34 29.437 58.199 34.717 253 H ASP 35 HN ASP 35 29.505 57.884 37.326 254 HA ASP 35 HA ASP 35 32.348 58.299 37.977 255 HB2 ASP 35 HB2 ASP 35 30.406 59.897 38.441 256 HB3 ASP 35 HB1 ASP 35 29.891 58.790 39.696 257 H TRP 36 HN TRP 36 29.606 56.315 39.146 258 HA TRP 36 HA TRP 36 31.516 54.367 40.381 259 HB2 TRP 36 HB2 TRP 36 28.641 55.014 41.144 260 HB3 TRP 36 HB1 TRP 36 29.574 53.674 41.784 261 HD1 TRP 36 HD1 TRP 36 29.308 57.457 41.993 262 HE1 TRP 36 HE1 TRP 36 30.530 58.295 44.070 263 HE3 TRP 36 HE3 TRP 36 31.536 53.081 43.418 264 HZ2 TRP 36 HZ2 TRP 36 32.184 57.188 46.166 265 HZ3 TRP 36 HZ3 TRP 36 32.951 53.008 45.457 266 HH2 TRP 36 HH2 TRP 36 33.261 55.040 46.845 267 H TRP 37 HN TRP 37 31.499 52.371 39.504 268 HA TRP 37 HA TRP 37 29.349 51.620 37.577 269 HB2 TRP 37 HB2 TRP 37 32.284 50.858 37.730 270 HB3 TRP 37 HB1 TRP 37 31.129 50.203 36.584 271 HD1 TRP 37 HD1 TRP 37 30.172 53.649 36.497 272 HE1 TRP 37 HE1 TRP 37 31.254 54.889 34.570 273 HE3 TRP 37 HE3 TRP 37 33.977 50.378 35.462 274 HZ2 TRP 37 HZ2 TRP 37 33.457 54.529 32.755 275 HZ3 TRP 37 HZ3 TRP 37 35.551 50.862 33.606 276 HH2 TRP 37 HH2 TRP 37 35.298 52.923 32.246 277 H GLU 38 HN GLU 38 28.555 49.601 37.562 278 HA GLU 38 HA GLU 38 28.613 48.045 40.062 279 HB2 GLU 38 HB2 GLU 38 26.958 47.753 37.524 280 HB3 GLU 38 HB1 GLU 38 26.842 46.704 38.942 281 HG2 GLU 38 HG2 GLU 38 26.210 48.605 40.352 282 HG3 GLU 38 HG1 GLU 38 26.335 49.704 38.977 283 H VAL 39 HN VAL 39 29.885 46.485 40.300 284 HA VAL 39 HA VAL 39 31.136 44.960 38.066 285 HB VAL 39 HB VAL 39 32.587 46.653 39.109 286 HG11 VAL 39 HG11 VAL 39 33.450 46.295 41.453 287 HG12 VAL 39 HG12 VAL 39 32.129 45.152 41.717 288 HG13 VAL 39 HG13 VAL 39 31.784 46.863 41.351 289 HG21 VAL 39 HG21 VAL 39 33.666 44.611 38.230 290 HG22 VAL 39 HG22 VAL 39 33.601 43.893 39.866 291 HG23 VAL 39 HG23 VAL 39 34.556 45.346 39.563 292 H ARG 40 HN ARG 40 31.864 42.896 38.520 293 HA ARG 40 HA ARG 40 31.392 41.716 41.142 294 HB2 ARG 40 HB2 ARG 40 30.634 39.565 40.368 295 HB3 ARG 40 HB1 ARG 40 29.464 40.816 39.964 296 HG2 ARG 40 HG2 ARG 40 30.185 40.774 37.602 297 HG3 ARG 40 HG1 ARG 40 31.450 39.587 37.985 298 HD2 ARG 40 HD2 ARG 40 29.703 38.028 38.827 299 HD3 ARG 40 HD1 ARG 40 28.454 39.166 38.289 300 HE ARG 40 HE ARG 40 29.853 38.819 36.002 301 HH11 ARG 40 HH11 ARG 40 28.589 36.340 38.203 302 HH12 ARG 40 HH12 ARG 40 28.487 35.163 36.918 303 HH21 ARG 40 HH21 ARG 40 29.686 37.336 34.475 304 HH22 ARG 40 HH22 ARG 40 29.089 35.720 34.790 305 H SER 41 HN SER 41 33.046 40.499 41.819 306 HA SER 41 HA SER 41 35.456 40.155 40.201 307 HB2 SER 41 HB2 SER 41 35.469 40.675 42.679 308 HB3 SER 41 HB1 SER 41 34.829 39.036 42.941 309 HG SER 41 HG SER 41 37.050 38.866 42.908 310 H LEU 42 HN LEU 42 36.191 38.205 39.546 311 HA LEU 42 HA LEU 42 34.138 36.178 38.809 312 HB2 LEU 42 HB2 LEU 42 36.883 36.953 37.710 313 HB3 LEU 42 HB1 LEU 42 35.863 35.709 37.013 314 HG LEU 42 HG LEU 42 35.061 38.657 37.227 315 HD11 LEU 42 HD11 LEU 42 36.186 37.084 34.876 316 HD12 LEU 42 HD12 LEU 42 36.982 38.411 35.747 317 HD13 LEU 42 HD13 LEU 42 35.528 38.733 34.793 318 HD21 LEU 42 HD21 LEU 42 33.098 37.230 37.135 319 HD22 LEU 42 HD22 LEU 42 33.790 36.291 35.793 320 HD23 LEU 42 HD23 LEU 42 33.317 37.985 35.554 321 H THR 43 HN THR 43 37.124 36.563 40.446 322 HA THR 43 HA THR 43 38.118 33.862 40.688 323 HB THR 43 HB THR 43 39.363 34.928 42.645 324 HG1 THR 43 HG1 THR 43 38.983 37.031 42.939 325 HG21 THR 43 HG21 THR 43 40.284 35.037 40.297 326 HG22 THR 43 HG22 THR 43 40.732 36.419 41.304 327 HG23 THR 43 HG23 THR 43 39.452 36.599 40.086 328 H THR 44 HN THR 44 36.332 35.883 43.125 329 HA THR 44 HA THR 44 35.454 33.581 44.642 330 HB THR 44 HB THR 44 35.125 35.492 46.272 331 HG1 THR 44 HG1 THR 44 35.682 37.460 45.619 332 HG21 THR 44 HG21 THR 44 37.913 35.563 45.043 333 HG22 THR 44 HG22 THR 44 37.343 34.370 46.240 334 HG23 THR 44 HG23 THR 44 37.430 36.084 46.665 335 H GLY 45 HN GLY 45 33.975 35.385 42.227 336 HA2 GLY 45 HA2 GLY 45 31.809 35.869 41.670 337 HA3 GLY 45 HA1 GLY 45 31.306 34.890 43.064 338 H GLU 46 HN GLU 46 33.166 37.412 44.294 339 HA GLU 46 HA GLU 46 30.864 38.528 45.598 340 HB2 GLU 46 HB2 GLU 46 33.778 39.360 45.562 341 HB3 GLU 46 HB1 GLU 46 32.555 40.124 46.586 342 HG2 GLU 46 HG2 GLU 46 32.102 38.083 47.766 343 HG3 GLU 46 HG1 GLU 46 33.073 37.122 46.657 344 H THR 47 HN THR 47 29.766 40.442 45.366 345 HA THR 47 HA THR 47 30.178 41.982 42.819 346 HB THR 47 HB THR 47 27.618 41.111 44.211 347 HG1 THR 47 HG1 THR 47 28.731 39.554 42.967 348 HG21 THR 47 HG21 THR 47 26.410 41.975 42.258 349 HG22 THR 47 HG22 THR 47 27.901 42.671 41.605 350 HG23 THR 47 HG23 THR 47 27.194 43.293 43.125 351 H GLY 48 HN GLY 48 29.698 44.175 42.830 352 HA2 GLY 48 HA2 GLY 48 28.412 45.657 44.795 353 HA3 GLY 48 HA1 GLY 48 30.099 45.697 45.252 354 H TYR 49 HN TYR 49 30.308 47.856 44.914 355 HA TYR 49 HA TYR 49 30.263 48.866 42.100 356 HB2 TYR 49 HB2 TYR 49 29.560 50.182 44.732 357 HB3 TYR 49 HB1 TYR 49 30.171 51.144 43.408 358 HD1 TYR 49 HD1 TYR 49 28.923 51.535 41.372 359 HD2 TYR 49 HD2 TYR 49 27.302 49.170 44.588 360 HE1 TYR 49 HE1 TYR 49 26.631 51.950 40.512 361 HE2 TYR 49 HE2 TYR 49 25.003 49.548 43.707 362 HH TYR 49 HH TYR 49 24.400 51.597 40.869 363 H ILE 50 HN ILE 50 31.908 50.043 41.435 364 HA ILE 50 HA ILE 50 34.119 50.807 43.283 365 HB ILE 50 HB ILE 50 35.796 50.331 41.409 366 HG12 ILE 50 HG12 ILE 50 33.607 48.446 40.432 367 HG13 ILE 50 HG11 ILE 50 34.159 49.893 39.592 368 HG21 ILE 50 HG21 ILE 50 34.542 47.934 42.796 369 HG22 ILE 50 HG22 ILE 50 35.584 49.132 43.590 370 HG23 ILE 50 HG23 ILE 50 36.240 48.139 42.297 371 HD11 ILE 50 HD11 ILE 50 35.856 47.425 40.178 372 HD12 ILE 50 HD12 ILE 50 36.430 48.908 39.376 373 HD13 ILE 50 HD13 ILE 50 35.178 47.900 38.618 374 HA PRO 51 HA PRO 51 33.892 54.725 41.182 375 HB2 PRO 51 HB2 PRO 51 36.331 55.812 41.832 376 HB3 PRO 51 HB1 PRO 51 34.981 55.651 42.987 377 HG2 PRO 51 HG2 PRO 51 37.356 53.807 42.635 378 HG3 PRO 51 HG1 PRO 51 36.678 54.470 44.156 379 HD2 PRO 51 HD2 PRO 51 36.073 51.969 43.248 380 HD3 PRO 51 HD1 PRO 51 34.877 52.971 44.120 381 H SER 52 HN SER 52 34.250 55.193 39.098 382 HA SER 52 HA SER 52 35.355 53.330 37.320 383 HB2 SER 52 HB2 SER 52 34.807 54.951 35.611 384 HB3 SER 52 HB1 SER 52 33.533 54.915 36.844 385 HG SER 52 HG SER 52 33.947 56.992 36.506 386 HA PRO 53 HA PRO 53 38.952 56.259 36.347 387 HB2 PRO 53 HB2 PRO 53 40.214 57.788 38.204 388 HB3 PRO 53 HB1 PRO 53 38.739 58.325 37.345 389 HG2 PRO 53 HG2 PRO 53 38.916 57.025 40.081 390 HG3 PRO 53 HG1 PRO 53 38.061 58.538 39.634 391 HD2 PRO 53 HD2 PRO 53 36.781 56.172 39.796 392 HD3 PRO 53 HD1 PRO 53 36.361 57.360 38.523 393 H TYR 54 HN TYR 54 38.786 54.240 39.165 394 HA TYR 54 HA TYR 54 41.332 53.327 39.666 395 HB2 TYR 54 HB2 TYR 54 39.221 52.409 40.585 396 HB3 TYR 54 HB1 TYR 54 38.846 51.671 39.037 397 HD1 TYR 54 HD1 TYR 54 40.395 49.835 38.121 398 HD2 TYR 54 HD2 TYR 54 40.609 51.305 42.174 399 HE1 TYR 54 HE1 TYR 54 41.768 47.871 38.759 400 HE2 TYR 54 HE2 TYR 54 41.955 49.321 42.821 401 HH TYR 54 HH TYR 54 42.964 47.416 42.094 402 H LEU 55 HN LEU 55 39.367 52.414 36.825 403 HA LEU 55 HA LEU 55 41.829 51.667 35.332 404 HB2 LEU 55 HB2 LEU 55 40.485 50.138 34.083 405 HB3 LEU 55 HB1 LEU 55 40.442 49.758 35.783 406 HG LEU 55 HG LEU 55 38.160 51.193 34.355 407 HD11 LEU 55 HD11 LEU 55 37.080 48.968 34.209 408 HD12 LEU 55 HD12 LEU 55 38.530 48.209 34.892 409 HD13 LEU 55 HD13 LEU 55 38.597 48.995 33.302 410 HD21 LEU 55 HD21 LEU 55 37.938 51.413 36.800 411 HD22 LEU 55 HD22 LEU 55 38.285 49.678 37.010 412 HD23 LEU 55 HD23 LEU 55 36.788 50.208 36.232 413 H ALA 56 HN ALA 56 39.039 53.817 35.195 414 HA ALA 56 HA ALA 56 39.442 54.465 32.382 415 HB1 ALA 56 HB1 ALA 56 37.213 54.469 33.490 416 HB2 ALA 56 HB2 ALA 56 37.612 56.032 32.759 417 HB3 ALA 56 HB3 ALA 56 37.733 55.826 34.512
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