REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2p80_1_C DATA FIRST_RESID 4 DATA SEQUENCE ATAAEIAALP RQKVELVDPP FVHAHSQVAE GGPKVVEFTM VIEEKKIVID DATA SEQUENCE DAGTEVHAMA FNGTVPGPLM VVHQDDYLEL TLINPETNTL MHNIDFHAAT DATA SEQUENCE GALGGGGLTE INPGEKTILR FKATKPGVFV YHCAPPGMVP WHVVSGMNGA DATA SEQUENCE IMVLPREGLH DGKGKALTYD KIYYVGEQDF YVPRDENGKY KKYEAPGDAY DATA SEQUENCE EDTVKVMRTL TPTHVVFNGA VGALTGDKAM TAAVGEKVLI VHSQANRDTR DATA SEQUENCE PHLIGGHGDY VWATGKFNTP PDVDQETWFI PGGAAGAAFY TFQQPGIYAY DATA SEQUENCE VNHNLIEAFE LGAAAHFKVT GEWNDDLMTS VLAPSG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 A HA 0.000 4.333 4.320 0.022 0.000 0.244 4 A C 0.000 177.584 177.584 -0.000 0.000 1.274 4 A CA 0.000 52.055 52.037 0.030 0.000 0.836 4 A CB 0.000 19.021 19.000 0.035 0.000 0.831 5 T N -1.627 112.916 114.554 -0.018 0.000 2.881 5 T HA 0.260 4.599 4.350 -0.018 0.000 0.278 5 T C 0.888 175.556 174.700 -0.053 0.000 0.982 5 T CA -1.781 60.303 62.100 -0.027 0.000 0.989 5 T CB 1.457 70.312 68.868 -0.021 0.000 1.058 5 T HN 0.322 8.931 8.240 -0.017 -0.379 0.529 6 A N 1.550 124.340 122.820 -0.050 0.000 1.908 6 A HA -0.294 3.971 4.320 -0.092 0.000 0.218 6 A C 1.856 179.396 177.584 -0.072 0.000 1.181 6 A CA 3.245 55.241 52.037 -0.068 0.000 0.627 6 A CB -0.995 17.976 19.000 -0.049 0.000 0.818 6 A HN 0.505 8.634 8.150 -0.036 0.000 0.445 7 A N -1.706 121.082 122.820 -0.053 0.000 1.883 7 A HA -0.257 4.034 4.320 -0.049 0.000 0.217 7 A C 2.517 180.066 177.584 -0.058 0.000 1.186 7 A CA 2.845 54.853 52.037 -0.049 0.000 0.624 7 A CB -0.825 18.154 19.000 -0.035 0.000 0.822 7 A HN 0.185 8.307 8.150 -0.043 0.003 0.444 8 E N -1.349 118.817 120.200 -0.057 0.000 2.085 8 E HA -0.377 3.945 4.350 -0.046 0.000 0.194 8 E C 2.416 178.958 176.600 -0.097 0.000 0.994 8 E CA 2.678 59.043 56.400 -0.059 0.000 0.801 8 E CB -0.026 29.648 29.700 -0.043 0.000 0.743 8 E HN -0.805 7.525 8.360 -0.050 0.000 0.453 9 I N -1.570 118.911 120.570 -0.149 0.000 2.315 9 I HA -0.397 3.596 4.170 -0.296 0.000 0.248 9 I C 1.766 177.774 176.117 -0.182 0.000 1.117 9 I CA 3.314 64.462 61.300 -0.253 0.000 1.404 9 I CB -0.031 37.751 38.000 -0.363 0.000 1.071 9 I HN -0.247 7.883 8.210 -0.133 0.000 0.419 10 A N -0.387 122.357 122.820 -0.127 0.000 2.015 10 A HA -0.244 4.016 4.320 -0.100 0.000 0.219 10 A C 0.768 178.308 177.584 -0.073 0.000 1.163 10 A CA 2.020 54.001 52.037 -0.093 0.000 0.646 10 A CB -0.423 18.534 19.000 -0.070 0.000 0.806 10 A HN -0.127 7.854 8.150 -0.115 0.099 0.448 11 A N -3.355 119.425 122.820 -0.068 0.000 2.251 11 A HA 0.055 4.349 4.320 -0.044 0.000 0.209 11 A C 0.164 177.720 177.584 -0.047 0.000 1.187 11 A CA -0.365 51.642 52.037 -0.049 0.000 0.823 11 A CB 0.285 19.261 19.000 -0.040 0.000 0.846 11 A HN -0.566 7.407 8.150 -0.075 0.132 0.486 12 L N 0.629 121.815 121.223 -0.061 0.000 2.417 12 L HA 0.281 4.605 4.340 -0.028 0.000 0.268 12 L C -1.401 175.449 176.870 -0.034 0.000 1.158 12 L CA -2.493 52.322 54.840 -0.042 0.000 0.819 12 L CB 0.034 42.062 42.059 -0.051 0.000 1.112 12 L HN -0.757 7.250 8.230 -0.085 0.172 0.458 13 P HA 0.052 4.460 4.420 -0.021 0.000 0.271 13 P C -1.325 175.969 177.300 -0.011 0.000 1.220 13 P CA -0.156 62.935 63.100 -0.015 0.000 0.768 13 P CB 0.765 32.459 31.700 -0.010 0.000 0.848 14 R N 0.859 121.349 120.500 -0.018 0.000 2.407 14 R HA 0.391 4.893 4.340 -0.004 -0.164 0.303 14 R C -0.569 175.720 176.300 -0.017 0.000 0.981 14 R CA -0.919 55.171 56.100 -0.016 0.000 0.905 14 R CB 1.665 31.948 30.300 -0.029 0.000 1.099 14 R HN 0.094 8.351 8.270 -0.023 0.000 0.459 15 Q N 4.998 124.791 119.800 -0.011 0.000 2.310 15 Q HA 0.241 4.558 4.340 -0.039 0.000 0.270 15 Q C -1.495 174.446 176.000 -0.098 0.000 1.025 15 Q CA -0.979 54.806 55.803 -0.030 0.000 0.772 15 Q CB 3.326 32.071 28.738 0.012 0.000 1.253 15 Q HN 0.200 8.475 8.270 0.007 0.000 0.450 16 K N 7.090 127.399 120.400 -0.151 0.000 2.205 16 K HA 0.200 4.466 4.320 -0.344 -0.153 0.279 16 K C -0.914 175.439 176.600 -0.410 0.000 1.027 16 K CA -0.096 56.022 56.287 -0.282 0.000 0.932 16 K CB 1.034 33.417 32.500 -0.195 0.000 1.032 16 K HN 0.328 8.512 8.250 -0.109 0.000 0.466 17 V N 4.634 124.050 119.914 -0.830 0.000 2.604 17 V HA 0.131 4.013 4.120 -0.398 0.000 0.305 17 V C -1.174 174.531 176.094 -0.649 0.000 1.043 17 V CA -1.687 60.118 62.300 -0.824 0.000 0.888 17 V CB 2.659 33.674 31.823 -1.347 0.000 0.995 17 V HN 0.372 7.884 8.190 -1.130 0.000 0.429 18 E N 5.411 125.447 120.200 -0.273 0.000 2.167 18 E HA 0.149 4.414 4.350 -0.142 0.000 0.284 18 E C -0.763 175.836 176.600 -0.002 0.000 1.016 18 E CA -0.825 55.505 56.400 -0.117 0.000 0.817 18 E CB 0.568 30.243 29.700 -0.041 0.000 1.080 18 E HN 0.254 8.509 8.360 -0.176 0.000 0.397 19 L N 2.701 123.953 121.223 0.048 0.000 2.399 19 L HA 0.075 4.545 4.340 0.218 0.000 0.266 19 L C -0.158 176.820 176.870 0.179 0.000 1.114 19 L CA -0.394 54.546 54.840 0.166 0.000 0.804 19 L CB 0.817 42.991 42.059 0.192 0.000 1.146 19 L HN 0.285 8.524 8.230 0.016 0.000 0.451 20 V N -1.967 118.090 119.914 0.239 0.000 3.284 20 V HA 0.307 4.527 4.120 0.166 0.000 0.309 20 V C -1.024 175.214 176.094 0.241 0.000 1.190 20 V CA -2.559 59.872 62.300 0.217 0.000 1.038 20 V CB 1.746 33.712 31.823 0.239 0.000 1.198 20 V HN 0.232 8.603 8.190 0.301 0.000 0.465 21 D N 0.288 120.835 120.400 0.245 0.000 2.193 21 D HA 0.401 5.180 4.640 0.230 0.000 0.244 21 D C -1.757 174.715 176.300 0.286 0.000 1.064 21 D CA -2.475 51.670 54.000 0.241 0.000 0.845 21 D CB 0.248 41.163 40.800 0.191 0.000 1.148 21 D HN 0.017 8.527 8.370 0.234 0.000 0.464 22 P HA 0.013 4.744 4.420 0.204 -0.188 0.269 22 P C -1.258 176.068 177.300 0.044 0.000 1.200 22 P CA -0.634 62.558 63.100 0.154 0.000 0.779 22 P CB -0.045 31.697 31.700 0.070 0.000 0.841 23 P HA 0.168 4.695 4.420 -0.087 -0.159 0.249 23 P C -0.551 176.740 177.300 -0.014 0.000 1.229 23 P CA 0.014 63.027 63.100 -0.146 0.000 0.788 23 P CB 0.592 32.122 31.700 -0.285 0.000 1.072 24 F N -0.119 119.974 119.950 0.238 0.000 2.490 24 F HA -0.093 4.544 4.527 0.183 0.000 0.336 24 F C 0.418 176.317 175.800 0.165 0.000 1.178 24 F CA 1.885 60.002 58.000 0.196 0.000 1.301 24 F CB 0.396 39.494 39.000 0.164 0.000 1.175 24 F HN -0.894 7.318 8.300 -0.028 0.071 0.593 25 V N -0.678 119.415 119.914 0.300 0.000 3.019 25 V HA 0.153 4.428 4.120 0.259 0.000 0.317 25 V C -0.461 175.752 176.094 0.198 0.000 1.094 25 V CA -2.156 60.263 62.300 0.197 0.000 1.000 25 V CB 2.439 34.282 31.823 0.033 0.000 1.060 25 V HN 0.279 8.641 8.190 0.287 0.000 0.443 26 H N 1.382 120.591 119.070 0.232 0.000 2.597 26 H HA 0.078 4.749 4.556 0.192 0.000 0.370 26 H C -0.482 175.033 175.328 0.311 0.000 1.281 26 H CA -1.170 55.018 56.048 0.234 0.000 1.422 26 H CB 0.582 30.487 29.762 0.239 0.000 1.524 26 H HN 0.353 8.814 8.280 0.302 0.000 0.607 27 A N 0.461 123.448 122.820 0.278 0.000 2.462 27 A HA -0.283 4.078 4.320 0.067 0.000 0.243 27 A C -1.430 176.317 177.584 0.272 0.000 1.076 27 A CA 1.019 53.159 52.037 0.173 0.000 0.773 27 A CB 0.152 19.233 19.000 0.135 0.000 1.010 27 A HN 0.359 8.709 8.150 0.333 0.000 0.493 28 H N 0.453 119.546 119.070 0.038 0.000 3.043 28 H HA 0.178 4.841 4.556 0.179 0.000 0.317 28 H C -2.297 173.083 175.328 0.088 0.000 1.321 28 H CA -0.971 55.134 56.048 0.095 0.000 1.243 28 H CB 1.180 30.951 29.762 0.014 0.000 1.924 28 H HN -0.056 8.080 8.280 -0.241 0.000 0.527 29 S N 0.286 116.070 115.700 0.139 0.000 2.525 29 S HA 0.277 4.683 4.470 -0.106 0.000 0.290 29 S C 0.506 175.234 174.600 0.213 0.000 1.152 29 S CA -1.450 56.783 58.200 0.054 0.000 1.072 29 S CB 1.098 64.336 63.200 0.063 0.000 1.027 29 S HN 0.144 8.637 8.310 0.305 0.000 0.500 30 Q N 4.255 124.095 119.800 0.066 0.000 1.993 30 Q HA -0.250 4.213 4.340 0.204 0.000 0.202 30 Q C 0.562 176.719 176.000 0.261 0.000 0.984 30 Q CA 2.583 58.452 55.803 0.111 0.000 0.837 30 Q CB 0.286 28.936 28.738 -0.146 0.000 0.902 30 Q HN 0.459 8.682 8.270 -0.078 0.000 0.423 31 V N -0.102 119.875 119.914 0.105 0.000 2.555 31 V HA -0.120 4.187 4.120 0.079 -0.140 0.286 31 V C -0.898 175.157 176.094 -0.066 0.000 1.044 31 V CA 0.280 62.609 62.300 0.049 0.000 1.026 31 V CB 0.313 32.126 31.823 -0.017 0.000 0.981 31 V HN -0.260 7.939 8.190 0.015 0.000 0.480 32 A N 7.480 130.085 122.820 -0.358 0.000 2.511 32 A HA -0.022 3.583 4.320 -1.193 0.000 0.242 32 A C -0.795 176.612 177.584 -0.295 0.000 1.069 32 A CA 0.652 52.234 52.037 -0.757 0.000 0.763 32 A CB 0.748 19.289 19.000 -0.766 0.000 1.001 32 A HN 0.475 8.373 8.150 -0.233 0.112 0.498 33 E N 5.275 125.350 120.200 -0.208 0.000 1.993 33 E HA 0.019 4.314 4.350 -0.090 0.000 0.271 33 E C -0.450 176.099 176.600 -0.084 0.000 1.008 33 E CA -0.235 56.105 56.400 -0.100 0.000 0.814 33 E CB -0.660 29.010 29.700 -0.049 0.000 1.098 33 E HN 0.259 8.483 8.360 -0.227 0.000 0.407 34 G N 3.501 112.253 108.800 -0.080 0.000 2.549 34 G HA2 -0.248 3.684 3.960 -0.046 0.000 0.404 34 G HA3 -0.248 3.685 3.960 -0.044 0.000 0.404 34 G C -0.967 173.895 174.900 -0.064 0.000 1.292 34 G CA -1.071 43.995 45.100 -0.057 0.000 0.935 34 G HN -0.608 7.630 8.290 -0.086 0.000 0.512 35 G N -1.664 107.112 108.800 -0.039 0.000 2.531 35 G HA2 0.218 4.154 3.960 -0.040 0.000 0.253 35 G HA3 0.218 4.168 3.960 -0.016 0.000 0.253 35 G C -1.895 172.996 174.900 -0.015 0.000 1.439 35 G CA -1.197 43.886 45.100 -0.029 0.000 1.056 35 G HN -0.073 8.199 8.290 -0.030 0.000 0.555 36 P HA 0.368 5.163 4.420 0.041 -0.351 0.266 36 P C -1.368 175.974 177.300 0.070 0.000 1.195 36 P CA -0.245 62.889 63.100 0.057 0.000 0.768 36 P CB 0.578 32.346 31.700 0.114 0.000 0.838 37 K N 0.259 120.713 120.400 0.090 0.000 2.523 37 K HA 0.186 4.595 4.320 0.053 -0.058 0.257 37 K C -1.223 175.436 176.600 0.099 0.000 0.932 37 K CA -1.588 54.742 56.287 0.073 0.000 0.812 37 K CB 4.096 36.624 32.500 0.047 0.000 1.326 37 K HN 0.286 8.889 8.250 0.094 -0.297 0.433 38 V N 5.162 125.113 119.914 0.062 0.000 2.381 38 V HA -0.032 4.335 4.120 0.092 -0.193 0.257 38 V C -0.131 175.991 176.094 0.046 0.000 1.057 38 V CA 0.461 62.788 62.300 0.046 0.000 1.013 38 V CB -0.603 31.205 31.823 -0.025 0.000 1.069 38 V HN -0.014 8.192 8.190 0.026 0.000 0.484 39 V N 7.903 127.863 119.914 0.076 0.000 2.583 39 V HA 0.248 4.632 4.120 0.160 -0.168 0.287 39 V C -0.564 175.665 176.094 0.226 0.000 1.051 39 V CA -2.048 60.372 62.300 0.199 0.000 1.010 39 V CB -0.335 31.674 31.823 0.311 0.000 0.988 39 V HN 0.519 8.736 8.190 0.045 0.000 0.478 40 E N 5.393 125.689 120.200 0.160 0.000 2.176 40 E HA 0.798 5.444 4.350 0.151 -0.206 0.267 40 E C -1.238 175.328 176.600 -0.056 0.000 0.893 40 E CA -1.423 55.029 56.400 0.087 0.000 0.761 40 E CB 3.028 32.695 29.700 -0.055 0.000 1.133 40 E HN 0.331 8.700 8.360 0.015 0.000 0.409 41 F N 3.482 123.363 119.950 -0.115 0.000 2.578 41 F HA 0.481 4.948 4.527 -0.100 0.000 0.311 41 F C -0.994 174.761 175.800 -0.077 0.000 1.094 41 F CA -1.263 56.670 58.000 -0.111 0.000 0.923 41 F CB 4.184 43.090 39.000 -0.156 0.000 1.230 41 F HN 0.698 9.178 8.300 0.300 0.000 0.450 42 T N 3.993 118.594 114.554 0.079 0.000 2.848 42 T HA 0.578 5.130 4.350 0.070 -0.160 0.285 42 T C -0.939 173.812 174.700 0.085 0.000 0.995 42 T CA -0.417 61.721 62.100 0.064 0.000 0.970 42 T CB 2.004 70.889 68.868 0.029 0.000 0.976 42 T HN 0.448 8.705 8.240 0.028 0.000 0.441 43 M N 6.505 126.166 119.600 0.102 0.000 2.267 43 M HA 0.279 4.837 4.480 0.130 0.000 0.289 43 M C -2.090 174.321 176.300 0.185 0.000 1.043 43 M CA -0.383 55.003 55.300 0.143 0.000 0.928 43 M CB 3.988 36.678 32.600 0.150 0.000 1.613 43 M HN 0.148 8.496 8.290 0.097 0.000 0.450 44 V N 3.290 123.298 119.914 0.156 0.000 2.509 44 V HA 0.364 4.744 4.120 0.147 -0.171 0.284 44 V C -0.426 175.748 176.094 0.133 0.000 1.047 44 V CA -0.425 61.956 62.300 0.136 0.000 0.952 44 V CB 1.177 33.052 31.823 0.086 0.000 0.988 44 V HN 0.575 8.845 8.190 0.133 0.000 0.469 45 I N 7.366 127.987 120.570 0.084 0.000 2.365 45 I HA 0.126 4.379 4.170 -0.142 -0.168 0.291 45 I C -0.670 175.386 176.117 -0.102 0.000 1.004 45 I CA -0.032 61.199 61.300 -0.114 0.000 1.311 45 I CB 1.003 38.808 38.000 -0.326 0.000 1.401 45 I HN 0.163 8.437 8.210 0.108 0.000 0.491 46 E N 6.266 126.388 120.200 -0.130 0.000 2.220 46 E HA 0.326 4.650 4.350 -0.044 0.000 0.256 46 E C -1.161 175.376 176.600 -0.104 0.000 0.881 46 E CA -1.587 54.769 56.400 -0.074 0.000 0.766 46 E CB 1.836 31.519 29.700 -0.029 0.000 1.187 46 E HN 0.673 8.931 8.360 -0.171 0.000 0.419 47 E N 7.288 127.441 120.200 -0.078 0.000 2.052 47 E HA 0.472 4.987 4.350 -0.122 -0.238 0.283 47 E C -0.368 176.217 176.600 -0.025 0.000 1.071 47 E CA -0.000 56.357 56.400 -0.071 0.000 0.851 47 E CB 0.261 29.944 29.700 -0.029 0.000 1.066 47 E HN -0.028 8.603 8.360 -0.043 -0.297 0.396 48 K N 2.260 122.630 120.400 -0.050 0.000 2.175 48 K HA 0.366 4.673 4.320 -0.023 0.000 0.257 48 K C -2.129 174.382 176.600 -0.148 0.000 1.026 48 K CA -2.010 54.241 56.287 -0.060 0.000 0.866 48 K CB 2.361 34.828 32.500 -0.055 0.000 1.474 48 K HN 0.174 8.378 8.250 -0.077 0.000 0.442 49 K N -0.248 120.034 120.400 -0.197 0.000 2.235 49 K HA 0.276 4.505 4.320 -0.393 -0.145 0.266 49 K C -0.462 176.017 176.600 -0.201 0.000 0.980 49 K CA -0.804 55.301 56.287 -0.304 0.000 0.849 49 K CB 0.964 33.248 32.500 -0.360 0.000 1.098 49 K HN -0.007 8.158 8.250 -0.141 0.000 0.445 50 I N 1.257 121.699 120.570 -0.214 0.000 2.474 50 I HA 0.397 4.490 4.170 -0.129 0.000 0.294 50 I C -1.339 174.656 176.117 -0.203 0.000 1.005 50 I CA -1.330 59.868 61.300 -0.169 0.000 1.113 50 I CB 2.552 40.466 38.000 -0.144 0.000 1.289 50 I HN 0.147 8.201 8.210 -0.260 0.000 0.436 51 V N 5.705 125.525 119.914 -0.156 0.000 2.649 51 V HA 0.339 4.572 4.120 -0.193 -0.229 0.292 51 V C 0.537 176.527 176.094 -0.172 0.000 1.055 51 V CA -0.317 61.886 62.300 -0.162 0.000 1.023 51 V CB 0.674 32.432 31.823 -0.108 0.000 0.992 51 V HN 0.323 8.441 8.190 -0.120 0.000 0.480 52 I N -2.552 117.885 120.570 -0.222 0.000 4.323 52 I HA 0.548 4.636 4.170 -0.136 0.000 0.328 52 I C -0.850 175.181 176.117 -0.143 0.000 1.310 52 I CA -0.491 60.687 61.300 -0.203 0.000 1.186 52 I CB 2.139 39.938 38.000 -0.336 0.000 1.130 52 I HN 0.172 8.227 8.210 -0.258 0.000 0.411 53 D N -1.068 119.246 120.400 -0.142 0.000 2.781 53 D HA 0.252 4.874 4.640 -0.031 0.000 0.295 53 D C 0.174 176.455 176.300 -0.033 0.000 1.143 53 D CA -0.996 52.968 54.000 -0.060 0.000 1.076 53 D CB 1.611 42.391 40.800 -0.033 0.000 1.444 53 D HN -0.682 7.584 8.370 -0.172 0.000 0.567 54 D N -3.201 117.202 120.400 0.005 0.000 2.249 54 D HA -0.145 4.494 4.640 -0.001 0.000 0.205 54 D C 0.296 176.607 176.300 0.017 0.000 0.962 54 D CA 2.278 56.285 54.000 0.011 0.000 0.860 54 D CB -0.549 40.266 40.800 0.025 0.000 0.955 54 D HN 0.415 8.800 8.370 0.026 0.000 0.505 55 A N -1.323 121.519 122.820 0.037 0.000 2.239 55 A HA -0.031 4.320 4.320 0.051 0.000 0.209 55 A C 0.874 178.476 177.584 0.030 0.000 1.171 55 A CA 0.249 52.321 52.037 0.058 0.000 0.768 55 A CB -0.488 18.592 19.000 0.134 0.000 0.790 55 A HN -0.168 8.035 8.150 0.046 -0.026 0.478 56 G N -3.071 105.721 108.800 -0.012 0.000 2.148 56 G HA2 -0.404 3.526 3.960 -0.049 0.000 0.254 56 G HA3 -0.404 3.545 3.960 -0.018 0.000 0.254 56 G C 0.027 174.886 174.900 -0.069 0.000 0.981 56 G CA -0.066 45.013 45.100 -0.036 0.000 0.670 56 G HN -0.404 7.841 8.290 -0.021 0.032 0.528 57 T N 1.349 115.832 114.554 -0.117 0.000 2.946 57 T HA -0.243 4.033 4.350 -0.123 0.000 0.311 57 T C -1.245 173.309 174.700 -0.244 0.000 1.063 57 T CA 2.900 64.861 62.100 -0.232 0.000 1.139 57 T CB 0.717 69.239 68.868 -0.577 0.000 0.994 57 T HN -0.218 8.378 8.240 -0.104 -0.419 0.547 58 E N 4.424 124.498 120.200 -0.209 0.000 2.272 58 E HA 0.629 5.004 4.350 -0.251 -0.175 0.269 58 E C -1.616 174.848 176.600 -0.228 0.000 0.877 58 E CA -1.082 55.190 56.400 -0.213 0.000 0.755 58 E CB 3.529 33.141 29.700 -0.148 0.000 1.192 58 E HN 0.261 8.527 8.360 -0.155 0.000 0.422 59 V N 2.366 122.084 119.914 -0.326 0.000 2.487 59 V HA 0.272 4.299 4.120 -0.154 0.000 0.298 59 V C -1.125 174.819 176.094 -0.249 0.000 1.028 59 V CA -2.664 59.445 62.300 -0.319 0.000 0.860 59 V CB 2.916 34.317 31.823 -0.703 0.000 0.991 59 V HN 0.530 8.509 8.190 -0.352 0.000 0.427 60 H N 8.590 127.589 119.070 -0.119 0.000 3.362 60 H HA -0.115 4.543 4.556 -0.085 -0.153 0.248 60 H C -1.031 174.201 175.328 -0.159 0.000 1.276 60 H CA 0.609 56.598 56.048 -0.098 0.000 1.520 60 H CB -1.606 28.134 29.762 -0.037 0.000 1.624 60 H HN 0.367 8.755 8.280 0.181 0.000 0.502 61 A N 3.509 126.259 122.820 -0.116 0.000 2.354 61 A HA 0.375 4.858 4.320 -0.098 -0.221 0.269 61 A C -0.970 176.529 177.584 -0.142 0.000 1.109 61 A CA -1.060 50.909 52.037 -0.114 0.000 0.800 61 A CB 2.004 20.946 19.000 -0.097 0.000 1.045 61 A HN 0.001 8.046 8.150 -0.165 0.005 0.489 62 M N 2.688 122.172 119.600 -0.194 0.000 2.072 62 M HA 0.130 4.427 4.480 -0.306 0.000 0.331 62 M C -2.254 173.859 176.300 -0.312 0.000 1.004 62 M CA -0.391 54.715 55.300 -0.323 0.000 0.952 62 M CB 0.620 32.959 32.600 -0.436 0.000 1.511 62 M HN -0.071 8.127 8.290 -0.153 0.000 0.422 63 A N 3.405 126.040 122.820 -0.308 0.000 2.359 63 A HA 0.584 4.839 4.320 -0.108 0.000 0.303 63 A C -1.805 175.658 177.584 -0.202 0.000 1.066 63 A CA -1.823 50.111 52.037 -0.173 0.000 0.730 63 A CB 3.354 22.330 19.000 -0.040 0.000 1.211 63 A HN -0.063 7.913 8.150 -0.290 0.000 0.439 64 F N 3.645 123.627 119.950 0.053 0.000 2.467 64 F HA -0.142 4.401 4.527 0.028 0.000 0.362 64 F C 0.256 176.110 175.800 0.091 0.000 1.090 64 F CA 0.972 59.014 58.000 0.070 0.000 1.202 64 F CB 0.482 39.557 39.000 0.125 0.000 1.113 64 F HN 0.530 8.923 8.300 0.154 0.000 0.541 65 N N 3.055 121.907 118.700 0.255 0.000 2.850 65 N HA -0.324 4.509 4.740 0.156 0.000 0.249 65 N C -0.172 175.414 175.510 0.127 0.000 1.060 65 N CA 1.185 54.344 53.050 0.182 0.000 0.825 65 N CB -0.316 38.298 38.487 0.210 0.000 1.132 65 N HN 0.776 9.197 8.380 0.246 0.106 0.564 66 G N -4.888 103.963 108.800 0.085 0.000 2.168 66 G HA2 -0.476 3.494 3.960 0.016 0.000 0.257 66 G HA3 -0.476 3.514 3.960 0.050 0.000 0.257 66 G C -1.267 173.672 174.900 0.066 0.000 0.997 66 G CA 1.187 46.317 45.100 0.050 0.000 0.708 66 G HN -0.283 8.004 8.290 0.070 0.044 0.520 67 T N -2.949 111.667 114.554 0.103 0.000 2.993 67 T HA 0.317 4.713 4.350 0.076 0.000 0.312 67 T C -1.887 172.891 174.700 0.131 0.000 1.115 67 T CA -1.603 60.562 62.100 0.108 0.000 1.027 67 T CB 2.746 71.692 68.868 0.130 0.000 1.116 67 T HN -0.787 7.496 8.240 0.131 0.036 0.464 68 V N 4.976 124.953 119.914 0.104 0.000 2.370 68 V HA 0.337 4.544 4.120 0.145 0.000 0.283 68 V C -1.970 174.170 176.094 0.077 0.000 1.023 68 V CA -3.276 59.095 62.300 0.118 0.000 0.857 68 V CB 1.821 33.730 31.823 0.143 0.000 0.985 68 V HN 0.272 8.511 8.190 0.081 0.000 0.443 69 P HA 0.197 4.701 4.420 0.141 0.000 0.282 69 P C -0.649 176.813 177.300 0.270 0.000 1.259 69 P CA -1.372 61.810 63.100 0.136 0.000 0.826 69 P CB 1.044 32.794 31.700 0.083 0.000 1.064 70 G N -0.823 108.206 108.800 0.382 0.000 3.076 70 G HA2 -0.222 4.232 3.960 0.403 0.000 0.248 70 G HA3 -0.222 4.177 3.960 0.732 0.000 0.248 70 G C -1.533 173.667 174.900 0.501 0.000 1.258 70 G CA -0.644 44.763 45.100 0.512 0.000 0.895 70 G HN -0.462 8.042 8.290 0.357 0.000 0.618 71 P HA -0.054 4.599 4.420 0.388 0.000 0.277 71 P C -1.063 176.431 177.300 0.323 0.000 1.240 71 P CA -0.641 62.673 63.100 0.358 0.000 0.798 71 P CB 1.191 33.054 31.700 0.272 0.000 0.979 72 L N 2.184 123.557 121.223 0.250 0.000 2.265 72 L HA 0.504 5.105 4.340 0.005 -0.258 0.288 72 L C -0.762 176.171 176.870 0.105 0.000 1.058 72 L CA -1.147 53.715 54.840 0.037 0.000 0.809 72 L CB 1.072 43.023 42.059 -0.180 0.000 1.179 72 L HN 0.031 8.455 8.230 0.323 0.000 0.429 73 M N 6.868 126.461 119.600 -0.012 0.000 2.314 73 M HA 0.188 4.565 4.480 -0.172 0.000 0.342 73 M C -1.538 174.706 176.300 -0.094 0.000 1.171 73 M CA 0.509 55.688 55.300 -0.201 0.000 1.098 73 M CB 1.549 33.817 32.600 -0.554 0.000 1.559 73 M HN -0.220 8.068 8.290 -0.003 0.000 0.459 74 V N 2.585 122.531 119.914 0.053 0.000 2.524 74 V HA 0.614 4.851 4.120 -0.117 -0.187 0.297 74 V C -1.024 175.053 176.094 -0.029 0.000 1.035 74 V CA -1.283 61.001 62.300 -0.026 0.000 0.867 74 V CB 1.460 33.151 31.823 -0.219 0.000 1.004 74 V HN 0.251 8.490 8.190 0.082 0.000 0.426 75 V N 3.491 123.332 119.914 -0.122 0.000 3.158 75 V HA 0.538 4.704 4.120 0.077 0.000 0.311 75 V C -1.965 174.045 176.094 -0.141 0.000 1.181 75 V CA -3.352 58.913 62.300 -0.058 0.000 1.054 75 V CB 3.030 34.788 31.823 -0.109 0.000 1.085 75 V HN -0.073 8.032 8.190 -0.141 0.000 0.446 76 H N -0.729 118.340 119.070 -0.002 0.000 2.570 76 H HA 0.472 5.282 4.556 0.024 -0.239 0.342 76 H C -0.013 175.294 175.328 -0.036 0.000 1.245 76 H CA -1.215 54.833 56.048 0.000 0.000 1.318 76 H CB 2.160 31.924 29.762 0.002 0.000 1.694 76 H HN -0.305 8.287 8.280 0.242 -0.167 0.592 77 Q N -0.007 119.858 119.800 0.108 0.000 2.313 77 Q HA -0.432 4.010 4.340 -0.017 -0.112 0.266 77 Q C -0.766 175.214 176.000 -0.032 0.000 0.989 77 Q CA 1.747 57.562 55.803 0.019 0.000 0.890 77 Q CB 0.441 29.203 28.738 0.040 0.000 1.200 77 Q HN -0.241 8.124 8.270 0.158 0.000 0.396 78 D N 1.750 122.070 120.400 -0.134 0.000 1.943 78 D HA -0.300 4.189 4.640 -0.252 0.000 0.224 78 D C -0.697 175.388 176.300 -0.359 0.000 1.186 78 D CA 2.132 56.008 54.000 -0.206 0.000 1.453 78 D CB -0.931 39.824 40.800 -0.076 0.000 1.424 78 D HN 1.087 9.240 8.370 -0.164 0.119 0.666 79 D N 0.631 120.907 120.400 -0.207 0.000 2.399 79 D HA 0.087 4.732 4.640 0.008 0.000 0.241 79 D C -0.362 175.704 176.300 -0.390 0.000 1.133 79 D CA 0.689 54.601 54.000 -0.145 0.000 0.890 79 D CB 0.526 41.317 40.800 -0.014 0.000 1.201 79 D HN -0.485 7.735 8.370 -0.103 0.088 0.432 80 Y N -1.341 118.839 120.300 -0.199 0.000 2.328 80 Y HA 0.259 4.678 4.550 -0.473 -0.153 0.337 80 Y C -0.313 175.315 175.900 -0.453 0.000 1.008 80 Y CA -0.839 57.047 58.100 -0.356 0.000 1.129 80 Y CB 1.230 39.545 38.460 -0.242 0.000 1.185 80 Y HN -0.366 8.113 8.280 0.332 0.000 0.476 81 L N 3.348 124.126 121.223 -0.742 0.000 2.265 81 L HA 0.309 4.543 4.340 -0.366 -0.114 0.288 81 L C -1.805 174.773 176.870 -0.487 0.000 1.058 81 L CA -0.853 53.584 54.840 -0.671 0.000 0.809 81 L CB 1.722 43.198 42.059 -0.971 0.000 1.179 81 L HN 0.360 7.827 8.230 -1.273 0.000 0.429 82 E N 7.958 128.039 120.200 -0.198 0.000 2.145 82 E HA 0.551 5.038 4.350 -0.106 -0.200 0.262 82 E C -2.341 174.240 176.600 -0.031 0.000 0.883 82 E CA -1.706 54.638 56.400 -0.093 0.000 0.748 82 E CB 2.978 32.652 29.700 -0.044 0.000 1.140 82 E HN 0.752 9.052 8.360 -0.101 0.000 0.417 83 L N 8.701 129.901 121.223 -0.039 0.000 2.325 83 L HA 1.029 5.656 4.340 0.041 -0.262 0.281 83 L C -1.546 175.341 176.870 0.028 0.000 1.004 83 L CA -1.490 53.347 54.840 -0.005 0.000 0.823 83 L CB 3.529 45.541 42.059 -0.080 0.000 1.236 83 L HN 0.548 8.753 8.230 -0.041 0.000 0.415 84 T N 9.828 124.407 114.554 0.041 0.000 2.747 84 T HA 0.388 4.967 4.350 0.049 -0.200 0.301 84 T C -1.200 173.542 174.700 0.070 0.000 0.952 84 T CA 0.650 62.779 62.100 0.048 0.000 0.983 84 T CB -0.060 68.829 68.868 0.035 0.000 0.930 84 T HN 0.276 8.544 8.240 0.047 0.000 0.494 85 L N 8.708 129.985 121.223 0.089 0.000 2.360 85 L HA 0.670 5.266 4.340 0.138 -0.173 0.271 85 L C -2.131 174.820 176.870 0.134 0.000 1.057 85 L CA -1.382 53.537 54.840 0.132 0.000 0.803 85 L CB 3.359 45.516 42.059 0.163 0.000 1.207 85 L HN -0.115 8.165 8.230 0.084 0.000 0.445 86 I N 1.842 122.504 120.570 0.154 0.000 2.548 86 I HA 0.123 4.360 4.170 0.111 0.000 0.287 86 I C -2.585 173.612 176.117 0.134 0.000 1.103 86 I CA -0.507 60.867 61.300 0.123 0.000 1.049 86 I CB 3.563 41.618 38.000 0.091 0.000 1.232 86 I HN -0.128 8.195 8.210 0.188 0.000 0.429 87 N N 7.378 126.155 118.700 0.127 0.000 2.546 87 N HA 0.548 5.362 4.740 0.124 0.000 0.238 87 N C -2.707 172.856 175.510 0.088 0.000 0.984 87 N CA -3.535 49.591 53.050 0.128 0.000 0.935 87 N CB 2.016 40.602 38.487 0.166 0.000 1.122 87 N HN -0.027 8.423 8.380 0.117 0.000 0.510 88 P HA 0.060 4.509 4.420 0.049 0.000 0.267 88 P C 0.539 177.867 177.300 0.047 0.000 1.200 88 P CA -0.239 62.892 63.100 0.052 0.000 0.772 88 P CB 0.651 32.377 31.700 0.043 0.000 0.855 89 E N 0.604 120.827 120.200 0.038 0.000 2.209 89 E HA -0.410 4.010 4.350 0.033 -0.051 0.196 89 E C 0.399 177.017 176.600 0.030 0.000 0.993 89 E CA 2.845 59.264 56.400 0.032 0.000 0.819 89 E CB -1.031 28.685 29.700 0.026 0.000 0.745 89 E HN 0.456 8.838 8.360 0.036 0.000 0.477 90 T N -5.759 108.813 114.554 0.030 0.000 2.849 90 T HA -0.242 4.124 4.350 0.026 0.000 0.270 90 T C 0.364 175.083 174.700 0.032 0.000 1.066 90 T CA 1.334 63.451 62.100 0.028 0.000 1.130 90 T CB -0.402 68.481 68.868 0.026 0.000 0.864 90 T HN -0.275 7.956 8.240 0.031 0.027 0.481 91 N N 2.017 120.740 118.700 0.039 0.000 2.317 91 N HA -0.121 4.645 4.740 0.044 0.000 0.245 91 N C -0.074 175.456 175.510 0.034 0.000 1.294 91 N CA 0.794 53.872 53.050 0.047 0.000 0.924 91 N CB 0.989 39.524 38.487 0.080 0.000 1.186 91 N HN -0.560 7.709 8.380 0.042 0.136 0.495 92 T N -4.287 110.283 114.554 0.025 0.000 3.058 92 T HA 0.111 4.465 4.350 0.006 0.000 0.278 92 T C -1.110 173.573 174.700 -0.028 0.000 0.974 92 T CA -0.371 61.731 62.100 0.005 0.000 0.893 92 T CB 1.797 70.672 68.868 0.012 0.000 1.138 92 T HN 0.059 8.594 8.240 0.036 -0.273 0.529 93 L N 0.356 121.534 121.223 -0.075 0.000 2.401 93 L HA 0.185 4.461 4.340 -0.106 0.000 0.266 93 L C -1.343 175.298 176.870 -0.382 0.000 0.991 93 L CA -1.629 53.098 54.840 -0.189 0.000 0.818 93 L CB 3.312 45.237 42.059 -0.224 0.000 1.321 93 L HN -0.626 7.697 8.230 -0.037 -0.115 0.413 94 M N 2.018 121.464 119.600 -0.257 0.000 2.217 94 M HA -0.053 4.467 4.480 -0.144 -0.126 0.354 94 M C -1.348 174.751 176.300 -0.336 0.000 1.225 94 M CA 0.219 55.393 55.300 -0.210 0.000 1.137 94 M CB -0.028 32.529 32.600 -0.072 0.000 1.576 94 M HN -0.090 8.110 8.290 -0.150 0.000 0.461 95 H N 4.914 124.050 119.070 0.111 0.000 3.513 95 H HA 0.424 5.057 4.556 0.129 0.000 0.278 95 H C -1.243 174.164 175.328 0.132 0.000 1.683 95 H CA -1.101 55.031 56.048 0.139 0.000 1.552 95 H CB 3.772 33.625 29.762 0.152 0.000 1.474 95 H HN -0.107 8.209 8.280 0.060 0.000 0.870 96 N N -4.017 114.906 118.700 0.372 0.000 4.409 96 N HA 0.058 5.139 4.740 0.233 -0.202 0.208 96 N C -2.599 173.069 175.510 0.264 0.000 1.233 96 N CA -0.003 53.196 53.050 0.249 0.000 0.881 96 N CB 1.743 40.310 38.487 0.134 0.000 1.507 96 N HN 0.047 8.739 8.380 0.520 0.000 0.511 97 I N -0.950 119.703 120.570 0.138 0.000 2.466 97 I HA 0.217 4.385 4.170 -0.003 0.000 0.289 97 I C -2.970 173.107 176.117 -0.067 0.000 1.026 97 I CA -1.267 60.012 61.300 -0.034 0.000 1.078 97 I CB 3.389 41.271 38.000 -0.196 0.000 1.249 97 I HN 0.065 8.353 8.210 0.130 0.000 0.429 98 D N 9.131 129.430 120.400 -0.168 0.000 2.440 98 D HA 0.397 5.155 4.640 -0.073 -0.161 0.239 98 D C -1.199 174.851 176.300 -0.416 0.000 1.084 98 D CA -2.279 51.615 54.000 -0.176 0.000 0.843 98 D CB 1.309 42.073 40.800 -0.060 0.000 1.097 98 D HN -0.176 8.103 8.370 -0.151 0.000 0.531 99 F N 5.560 125.363 119.950 -0.245 0.000 2.391 99 F HA 0.125 4.589 4.527 -0.105 0.000 0.359 99 F C 0.744 176.368 175.800 -0.292 0.000 1.122 99 F CA -0.716 57.130 58.000 -0.258 0.000 1.120 99 F CB 0.965 39.701 39.000 -0.440 0.000 1.142 99 F HN 0.922 9.170 8.300 0.049 0.081 0.483 100 H N 6.423 125.410 119.070 -0.138 0.000 2.460 100 H HA -0.370 4.125 4.556 -0.102 0.000 0.297 100 H C 0.656 175.852 175.328 -0.219 0.000 1.103 100 H CA 3.695 59.688 56.048 -0.091 0.000 1.292 100 H CB 0.390 30.193 29.762 0.068 0.000 1.376 100 H HN -0.505 7.868 8.280 0.155 0.000 0.531 101 A N -3.897 118.776 122.820 -0.244 0.000 2.276 101 A HA -0.086 3.606 4.320 -1.048 0.000 0.212 101 A C -1.365 175.865 177.584 -0.590 0.000 1.230 101 A CA 0.254 51.886 52.037 -0.675 0.000 0.844 101 A CB -0.463 18.173 19.000 -0.607 0.000 0.860 101 A HN 0.092 8.180 8.150 -0.044 0.035 0.486 102 A N -2.743 119.722 122.820 -0.591 0.000 2.313 102 A HA 0.500 4.505 4.320 -0.524 0.000 0.323 102 A C -0.965 176.457 177.584 -0.271 0.000 1.133 102 A CA -1.144 50.535 52.037 -0.597 0.000 0.847 102 A CB 2.058 20.553 19.000 -0.841 0.000 1.308 102 A HN -0.468 7.224 8.150 -0.448 0.189 0.475 103 T N 1.829 116.295 114.554 -0.148 0.000 2.965 103 T HA 0.129 4.418 4.350 -0.102 0.000 0.306 103 T C -0.529 174.146 174.700 -0.042 0.000 0.991 103 T CA 0.188 62.238 62.100 -0.083 0.000 1.001 103 T CB 0.678 69.516 68.868 -0.050 0.000 0.984 103 T HN 0.182 8.362 8.240 -0.101 0.000 0.446 104 G N 4.264 113.036 108.800 -0.046 0.000 2.841 104 G HA2 -0.171 3.779 3.960 -0.016 0.000 0.684 104 G HA3 -0.171 3.787 3.960 -0.003 0.000 0.684 104 G C -1.389 173.500 174.900 -0.019 0.000 1.273 104 G CA -0.489 44.600 45.100 -0.019 0.000 0.811 104 G HN -0.206 8.045 8.290 -0.065 0.000 0.631 105 A N 1.395 124.209 122.820 -0.010 0.000 2.876 105 A HA -0.278 4.044 4.320 0.002 0.000 0.287 105 A C 0.140 177.716 177.584 -0.014 0.000 1.455 105 A CA 0.477 52.512 52.037 -0.003 0.000 0.744 105 A CB -1.483 17.523 19.000 0.011 0.000 1.041 105 A HN 0.395 8.541 8.150 -0.007 0.000 0.500 106 L N -5.898 115.309 121.223 -0.026 0.000 3.737 106 L HA -0.471 3.840 4.340 -0.047 0.000 0.418 106 L C 0.575 177.405 176.870 -0.066 0.000 1.216 106 L CA 0.768 55.586 54.840 -0.038 0.000 0.915 106 L CB -2.107 39.946 42.059 -0.010 0.000 1.834 106 L HN 0.140 8.355 8.230 -0.025 0.000 0.943 107 G N -5.969 102.775 108.800 -0.093 0.000 2.147 107 G HA2 -0.393 3.462 3.960 -0.175 0.000 0.244 107 G HA3 -0.393 3.772 3.960 -0.180 -0.314 0.244 107 G C 0.209 175.069 174.900 -0.066 0.000 1.005 107 G CA 0.238 45.256 45.100 -0.136 0.000 0.713 107 G HN 0.098 8.323 8.290 -0.082 0.016 0.515 108 G N -3.376 105.412 108.800 -0.021 0.000 2.194 108 G HA2 -0.428 3.558 3.960 0.043 0.000 0.236 108 G HA3 -0.428 3.578 3.960 0.076 0.000 0.236 108 G C 0.867 175.798 174.900 0.051 0.000 0.987 108 G CA 0.297 45.420 45.100 0.039 0.000 0.635 108 G HN 0.115 8.227 8.290 -0.027 0.162 0.520 109 G N 1.923 110.741 108.800 0.031 0.000 2.421 109 G HA2 -0.204 3.859 3.960 0.066 0.000 0.217 109 G HA3 -0.204 3.782 3.960 0.043 0.000 0.217 109 G C 1.147 176.072 174.900 0.042 0.000 1.143 109 G CA 1.157 46.285 45.100 0.047 0.000 0.784 109 G HN -0.568 7.661 8.290 0.007 0.065 0.541 110 G N 0.046 108.863 108.800 0.029 0.000 2.534 110 G HA2 -0.034 3.941 3.960 0.025 0.000 0.217 110 G HA3 -0.034 3.938 3.960 0.020 0.000 0.217 110 G C 0.270 175.190 174.900 0.033 0.000 1.128 110 G CA 0.692 45.808 45.100 0.026 0.000 0.784 110 G HN -0.425 7.861 8.290 0.021 0.016 0.542 111 L N -1.675 119.574 121.223 0.043 0.000 3.066 111 L HA 0.388 4.753 4.340 0.041 0.000 0.265 111 L C -1.263 175.643 176.870 0.061 0.000 1.232 111 L CA -0.895 53.973 54.840 0.047 0.000 1.031 111 L CB -0.311 41.775 42.059 0.046 0.000 1.379 111 L HN -0.909 7.199 8.230 0.045 0.149 0.563 112 T N -4.943 109.654 114.554 0.071 0.000 3.399 112 T HA 0.079 4.481 4.350 0.087 0.000 0.305 112 T C -0.334 174.427 174.700 0.102 0.000 0.983 112 T CA -0.570 61.585 62.100 0.092 0.000 0.967 112 T CB 1.056 69.991 68.868 0.112 0.000 1.186 112 T HN -0.648 7.571 8.240 0.065 0.060 0.504 113 E N 2.600 122.847 120.200 0.078 0.000 2.220 113 E HA 0.340 5.002 4.350 0.091 -0.258 0.272 113 E C -0.510 176.133 176.600 0.072 0.000 1.099 113 E CA -0.069 56.375 56.400 0.073 0.000 0.907 113 E CB 0.068 29.793 29.700 0.043 0.000 1.022 113 E HN -0.086 8.312 8.360 0.063 0.000 0.428 114 I N 1.495 122.121 120.570 0.094 0.000 2.447 114 I HA 0.385 4.593 4.170 0.064 0.000 0.287 114 I C -1.616 174.542 176.117 0.069 0.000 1.023 114 I CA -1.750 59.600 61.300 0.084 0.000 1.083 114 I CB 2.040 40.106 38.000 0.109 0.000 1.245 114 I HN -0.399 7.885 8.210 0.124 0.000 0.434 115 N N 6.096 124.821 118.700 0.042 0.000 2.463 115 N HA 0.404 5.143 4.740 -0.002 0.000 0.270 115 N C -1.902 173.629 175.510 0.036 0.000 1.205 115 N CA -2.683 50.379 53.050 0.020 0.000 0.974 115 N CB -0.490 38.001 38.487 0.008 0.000 1.197 115 N HN -0.263 8.381 8.380 0.039 -0.241 0.504 116 P HA -0.542 4.122 4.420 0.056 -0.211 0.261 116 P C 0.545 177.868 177.300 0.037 0.000 1.158 116 P CA 1.711 64.834 63.100 0.039 0.000 0.758 116 P CB -0.246 31.469 31.700 0.025 0.000 0.763 117 G N 3.624 112.450 108.800 0.044 0.000 2.136 117 G HA2 -0.480 3.503 3.960 0.038 0.000 0.242 117 G HA3 -0.480 3.499 3.960 0.031 0.000 0.242 117 G C -1.252 173.672 174.900 0.041 0.000 0.989 117 G CA -0.068 45.054 45.100 0.038 0.000 0.682 117 G HN 0.573 8.803 8.290 0.051 0.091 0.522 118 E N -0.112 120.119 120.200 0.052 0.000 2.293 118 E HA 0.304 4.681 4.350 0.045 0.000 0.270 118 E C -1.978 174.663 176.600 0.069 0.000 0.879 118 E CA -1.159 55.273 56.400 0.053 0.000 0.756 118 E CB 4.055 33.785 29.700 0.050 0.000 1.208 118 E HN -0.479 7.880 8.360 0.060 0.037 0.428 119 K N 1.595 122.033 120.400 0.063 0.000 2.477 119 K HA 0.533 4.972 4.320 0.093 -0.064 0.255 119 K C -1.686 174.953 176.600 0.065 0.000 0.952 119 K CA -1.197 55.134 56.287 0.073 0.000 0.826 119 K CB 3.165 35.704 32.500 0.065 0.000 1.331 119 K HN 0.168 8.449 8.250 0.052 0.000 0.437 120 T N 0.883 115.481 114.554 0.073 0.000 2.804 120 T HA 0.324 4.704 4.350 0.050 0.000 0.290 120 T C -2.193 172.542 174.700 0.058 0.000 1.099 120 T CA -2.213 59.924 62.100 0.061 0.000 1.011 120 T CB 2.344 71.253 68.868 0.068 0.000 1.291 120 T HN 0.238 8.530 8.240 0.087 0.000 0.523 121 I N 1.195 121.794 120.570 0.048 0.000 2.512 121 I HA 0.385 4.772 4.170 0.044 -0.190 0.287 121 I C -1.568 174.575 176.117 0.043 0.000 1.069 121 I CA -0.907 60.417 61.300 0.040 0.000 1.056 121 I CB 2.474 40.489 38.000 0.024 0.000 1.229 121 I HN 0.229 8.467 8.210 0.045 0.000 0.429 122 L N 7.602 128.857 121.223 0.052 0.000 2.362 122 L HA 0.449 4.827 4.340 0.062 0.000 0.275 122 L C -2.485 174.423 176.870 0.064 0.000 0.998 122 L CA -0.804 54.078 54.840 0.071 0.000 0.820 122 L CB 4.151 46.274 42.059 0.106 0.000 1.270 122 L HN 0.138 8.398 8.230 0.050 0.000 0.415 123 R N 6.618 127.155 120.500 0.062 0.000 2.480 123 R HA 0.821 5.363 4.340 -0.069 -0.243 0.306 123 R C -1.347 175.011 176.300 0.097 0.000 0.958 123 R CA -1.224 54.881 56.100 0.008 0.000 0.861 123 R CB 2.322 32.606 30.300 -0.027 0.000 1.171 123 R HN 0.152 8.462 8.270 0.066 0.000 0.445 124 F N 3.399 123.351 119.950 0.002 0.000 2.588 124 F HA 0.416 4.977 4.527 0.058 0.000 0.314 124 F C -2.330 173.473 175.800 0.004 0.000 1.069 124 F CA -2.351 55.655 58.000 0.009 0.000 0.931 124 F CB 3.154 42.111 39.000 -0.071 0.000 1.260 124 F HN 0.383 8.385 8.300 -0.497 0.000 0.465 125 K N 1.574 122.029 120.400 0.091 0.000 2.234 125 K HA 0.012 3.781 4.320 -0.919 0.000 0.282 125 K C -0.513 176.009 176.600 -0.130 0.000 1.039 125 K CA -0.675 55.378 56.287 -0.389 0.000 0.928 125 K CB 1.039 33.317 32.500 -0.370 0.000 1.039 125 K HN 0.375 8.777 8.250 0.253 0.000 0.470 126 A N 7.784 130.421 122.820 -0.305 0.000 2.807 126 A HA 0.433 4.839 4.320 0.143 0.000 0.307 126 A C -0.371 177.134 177.584 -0.133 0.000 1.532 126 A CA -0.974 51.020 52.037 -0.073 0.000 1.215 126 A CB -0.183 18.747 19.000 -0.116 0.000 1.127 126 A HN 0.308 8.110 8.150 -0.581 0.000 0.543 127 T N -1.555 112.940 114.554 -0.098 0.000 3.081 127 T HA -0.006 4.282 4.350 -0.103 0.000 0.250 127 T C 0.041 174.710 174.700 -0.052 0.000 1.100 127 T CA 0.058 62.106 62.100 -0.086 0.000 1.038 127 T CB 0.423 69.253 68.868 -0.063 0.000 0.962 127 T HN -0.091 8.112 8.240 -0.062 0.000 0.516 128 K N 0.755 121.113 120.400 -0.070 0.000 2.427 128 K HA 0.398 4.741 4.320 0.038 0.000 0.252 128 K C -2.917 173.727 176.600 0.073 0.000 0.931 128 K CA -3.355 52.930 56.287 -0.003 0.000 0.793 128 K CB 2.519 35.002 32.500 -0.028 0.000 1.211 128 K HN -0.631 7.500 8.250 -0.121 0.047 0.426 129 P HA 0.060 4.797 4.420 0.306 -0.133 0.286 129 P C -1.292 176.228 177.300 0.366 0.000 1.269 129 P CA -1.099 62.208 63.100 0.345 0.000 0.787 129 P CB 0.918 32.835 31.700 0.361 0.000 0.920 130 G N 2.412 111.363 108.800 0.252 0.000 2.337 130 G HA2 -0.079 2.780 3.960 -1.835 0.000 0.310 130 G HA3 -0.079 3.689 3.960 -0.498 -0.107 0.310 130 G C -2.445 172.279 174.900 -0.294 0.000 1.534 130 G CA -0.286 44.485 45.100 -0.549 0.000 0.982 130 G HN 0.019 8.541 8.290 0.386 0.000 0.672 131 V N -3.030 116.467 119.914 -0.694 0.000 2.715 131 V HA 0.662 4.923 4.120 -0.089 -0.194 0.299 131 V C -1.594 174.089 176.094 -0.685 0.000 1.054 131 V CA -0.692 61.374 62.300 -0.390 0.000 1.077 131 V CB 0.614 32.232 31.823 -0.342 0.000 0.972 131 V HN 0.049 7.681 8.190 -0.930 0.000 0.484 132 F N 2.783 122.660 119.950 -0.123 0.000 2.613 132 F HA 0.399 4.846 4.527 -0.134 0.000 0.310 132 F C -1.283 174.450 175.800 -0.113 0.000 1.085 132 F CA -1.349 56.592 58.000 -0.099 0.000 0.945 132 F CB 4.426 43.415 39.000 -0.019 0.000 1.298 132 F HN 0.346 8.730 8.300 0.140 0.000 0.455 133 V N 1.466 121.348 119.914 -0.054 0.000 2.439 133 V HA 0.165 4.301 4.120 -0.198 -0.136 0.282 133 V C -0.822 175.151 176.094 -0.202 0.000 1.039 133 V CA -0.892 61.291 62.300 -0.195 0.000 0.913 133 V CB 1.566 33.228 31.823 -0.267 0.000 0.983 133 V HN 0.472 8.571 8.190 -0.151 0.000 0.460 134 Y N 4.971 125.140 120.300 -0.219 0.000 2.419 134 Y HA 0.791 5.085 4.550 -0.699 -0.164 0.328 134 Y C -1.149 174.492 175.900 -0.432 0.000 1.162 134 Y CA -3.248 54.474 58.100 -0.631 0.000 1.174 134 Y CB 2.368 40.056 38.460 -1.286 0.000 1.228 134 Y HN -0.193 7.577 8.280 -0.679 0.102 0.473 135 H N -3.697 115.308 119.070 -0.108 0.000 3.121 135 H HA 0.340 5.082 4.556 0.127 -0.109 0.337 135 H C -1.449 173.938 175.328 0.099 0.000 1.198 135 H CA -1.623 54.444 56.048 0.031 0.000 1.274 135 H CB 0.322 30.084 29.762 -0.001 0.000 1.954 135 H HN 0.045 7.997 8.280 -0.546 0.000 0.531 136 C N 3.280 122.873 119.300 0.488 0.000 2.652 136 C HA 0.519 5.487 4.460 0.342 -0.302 0.412 136 C C -0.382 174.737 174.990 0.216 0.000 1.294 136 C CA -1.081 58.177 59.018 0.399 0.000 2.127 136 C CB -0.171 27.868 27.740 0.499 0.000 2.691 136 C HN -0.011 8.554 8.230 0.557 0.000 0.615 137 A N 7.184 130.067 122.820 0.106 0.000 3.277 137 A HA 0.410 4.684 4.320 -0.075 0.000 0.281 137 A C -3.458 174.079 177.584 -0.077 0.000 1.179 137 A CA -1.384 50.642 52.037 -0.019 0.000 0.879 137 A CB 0.548 19.567 19.000 0.032 0.000 1.374 137 A HN 0.994 9.821 8.150 0.125 -0.602 0.590 138 P HA 0.251 4.617 4.420 -0.090 0.000 0.267 138 P C -2.262 174.978 177.300 -0.100 0.000 1.209 138 P CA -1.415 61.576 63.100 -0.182 0.000 0.763 138 P CB -0.189 31.306 31.700 -0.341 0.000 0.816 139 P HA -0.342 4.075 4.420 -0.006 0.000 0.257 139 P C 0.504 177.804 177.300 -0.001 0.000 1.162 139 P CA 1.640 64.732 63.100 -0.013 0.000 0.762 139 P CB -0.323 31.374 31.700 -0.005 0.000 0.753 140 G N 2.162 110.973 108.800 0.019 0.000 2.258 140 G HA2 -0.309 3.678 3.960 0.045 0.000 0.233 140 G HA3 -0.309 3.670 3.960 0.032 0.000 0.233 140 G C -0.760 174.196 174.900 0.093 0.000 1.006 140 G CA 0.059 45.185 45.100 0.043 0.000 0.620 140 G HN 0.229 8.530 8.290 0.019 0.000 0.511 141 M N -1.828 117.832 119.600 0.099 0.000 3.320 141 M HA 0.385 5.064 4.480 0.332 0.000 0.414 141 M C -0.619 175.822 176.300 0.235 0.000 1.553 141 M CA -0.501 54.955 55.300 0.259 0.000 0.742 141 M CB 0.857 33.663 32.600 0.344 0.000 1.434 141 M HN -0.061 8.170 8.290 0.031 0.078 0.505 142 V N 4.313 124.295 119.914 0.115 0.000 2.216 142 V HA -0.188 3.916 4.120 -0.028 0.000 0.243 142 V C -0.346 175.831 176.094 0.138 0.000 1.044 142 V CA 5.263 67.594 62.300 0.052 0.000 0.995 142 V CB -2.911 28.914 31.823 0.004 0.000 0.633 142 V HN 0.209 8.456 8.190 0.094 0.000 0.446 143 P HA -0.156 4.301 4.420 0.062 0.000 0.217 143 P C 1.481 178.942 177.300 0.268 0.000 1.151 143 P CA 2.884 66.063 63.100 0.132 0.000 0.849 143 P CB -0.307 31.441 31.700 0.081 0.000 0.787 144 W N -2.952 118.459 121.300 0.186 0.000 2.379 144 W HA -0.236 4.526 4.660 0.169 0.000 0.307 144 W C 1.345 178.007 176.519 0.239 0.000 1.200 144 W CA 3.103 60.597 57.345 0.248 0.000 1.297 144 W CB -0.810 28.923 29.460 0.455 0.000 1.140 144 W HN 0.043 8.517 8.180 0.526 0.022 0.507 145 H N -0.776 118.324 119.070 0.050 0.000 2.387 145 H HA -0.216 4.137 4.556 -0.340 0.000 0.299 145 H C 2.453 177.755 175.328 -0.044 0.000 1.090 145 H CA 3.341 59.320 56.048 -0.115 0.000 1.332 145 H CB 0.281 30.058 29.762 0.025 0.000 1.386 145 H HN -0.772 7.912 8.280 0.673 0.000 0.516 146 V N -1.620 118.381 119.914 0.144 0.000 2.307 146 V HA -0.305 3.870 4.120 0.091 0.000 0.245 146 V C 2.941 179.088 176.094 0.087 0.000 1.045 146 V CA 3.813 66.159 62.300 0.077 0.000 1.024 146 V CB -0.395 31.423 31.823 -0.008 0.000 0.651 146 V HN -0.387 7.908 8.190 0.175 0.000 0.449 147 V N -3.936 116.059 119.914 0.134 0.000 2.490 147 V HA -0.255 3.950 4.120 0.142 0.000 0.250 147 V C 1.518 177.800 176.094 0.313 0.000 1.061 147 V CA 3.310 65.741 62.300 0.218 0.000 1.064 147 V CB -0.491 31.533 31.823 0.336 0.000 0.670 147 V HN -0.248 8.031 8.190 0.148 0.000 0.461 148 S N -1.259 114.539 115.700 0.162 0.000 2.595 148 S HA -0.154 4.440 4.470 0.207 0.000 0.235 148 S C 0.136 174.859 174.600 0.205 0.000 0.974 148 S CA 2.115 60.377 58.200 0.103 0.000 0.942 148 S CB 0.069 63.093 63.200 -0.295 0.000 0.766 148 S HN -0.348 7.976 8.310 0.049 0.016 0.536 149 G N -1.315 107.618 108.800 0.222 0.000 2.140 149 G HA2 -0.383 3.887 3.960 0.130 0.000 0.211 149 G HA3 -0.383 3.726 3.960 0.248 0.000 0.211 149 G C -0.967 173.991 174.900 0.097 0.000 1.013 149 G CA 0.106 45.314 45.100 0.180 0.000 0.705 149 G HN -0.139 8.039 8.290 0.174 0.216 0.508 150 M N 2.842 122.489 119.600 0.078 0.000 3.347 150 M HA 0.123 4.743 4.480 0.091 -0.085 0.260 150 M C -2.412 174.064 176.300 0.294 0.000 1.362 150 M CA -0.835 54.540 55.300 0.126 0.000 1.497 150 M CB -0.640 31.980 32.600 0.033 0.000 1.080 150 M HN -0.625 7.708 8.290 0.072 0.000 0.592 151 N N -2.162 116.686 118.700 0.247 0.000 2.815 151 N HA 0.365 5.222 4.740 0.018 -0.106 0.253 151 N C -1.899 173.451 175.510 -0.267 0.000 1.202 151 N CA -0.407 52.647 53.050 0.006 0.000 0.925 151 N CB 2.998 41.497 38.487 0.020 0.000 1.622 151 N HN -0.620 7.852 8.380 0.230 0.046 0.497 152 G N -1.672 106.366 108.800 -1.271 0.000 3.100 152 G HA2 0.302 4.229 3.960 -0.055 0.000 0.174 152 G HA3 0.302 4.076 3.960 -0.309 0.000 0.174 152 G C -2.725 171.635 174.900 -0.901 0.000 1.136 152 G CA -0.667 43.952 45.100 -0.801 0.000 0.881 152 G HN 0.515 7.467 8.290 -2.230 0.000 0.616 153 A N -1.208 121.430 122.820 -0.302 0.000 2.590 153 A HA 0.515 4.925 4.320 -0.044 -0.116 0.296 153 A C -2.576 175.042 177.584 0.055 0.000 1.050 153 A CA -0.316 51.638 52.037 -0.139 0.000 0.697 153 A CB 2.744 21.520 19.000 -0.372 0.000 1.277 153 A HN -0.276 8.075 8.150 0.335 0.000 0.411 154 I N -3.887 116.782 120.570 0.166 0.000 2.693 154 I HA 0.914 5.207 4.170 -0.002 -0.125 0.303 154 I C -2.463 173.679 176.117 0.041 0.000 1.025 154 I CA -2.525 58.824 61.300 0.082 0.000 1.086 154 I CB 4.070 42.146 38.000 0.127 0.000 1.268 154 I HN 0.506 8.854 8.210 0.230 0.000 0.440 155 M N 3.893 123.477 119.600 -0.027 0.000 2.078 155 M HA 0.342 4.847 4.480 0.042 0.000 0.320 155 M C -2.105 174.207 176.300 0.020 0.000 0.969 155 M CA -1.201 54.097 55.300 -0.004 0.000 0.929 155 M CB 3.001 35.554 32.600 -0.077 0.000 1.504 155 M HN 0.599 8.847 8.290 -0.070 0.000 0.419 156 V N 7.936 127.924 119.914 0.122 0.000 2.320 156 V HA 0.499 4.902 4.120 -0.026 -0.299 0.265 156 V C -0.988 175.213 176.094 0.178 0.000 1.048 156 V CA -0.965 61.384 62.300 0.081 0.000 0.865 156 V CB -0.239 31.637 31.823 0.087 0.000 1.043 156 V HN -0.082 8.235 8.190 0.211 0.000 0.474 157 L N 8.669 129.882 121.223 -0.017 0.000 2.334 157 L HA 0.364 4.746 4.340 0.069 0.000 0.277 157 L C -1.846 174.985 176.870 -0.066 0.000 1.075 157 L CA -2.639 52.154 54.840 -0.078 0.000 0.804 157 L CB 0.415 42.331 42.059 -0.238 0.000 1.174 157 L HN 0.394 8.501 8.230 -0.204 0.000 0.438 158 P HA -0.072 4.358 4.420 0.017 0.000 0.263 158 P C 0.674 178.029 177.300 0.092 0.000 1.175 158 P CA 0.346 63.419 63.100 -0.045 0.000 0.761 158 P CB 0.240 31.839 31.700 -0.169 0.000 0.794 159 R N 3.847 124.407 120.500 0.099 0.000 2.133 159 R HA -0.452 3.964 4.340 0.126 0.000 0.247 159 R C 1.488 177.808 176.300 0.034 0.000 1.151 159 R CA 4.442 60.586 56.100 0.074 0.000 0.971 159 R CB -0.275 30.017 30.300 -0.013 0.000 0.866 159 R HN 0.685 8.989 8.270 0.057 0.000 0.447 160 E N -4.707 115.498 120.200 0.010 0.000 2.403 160 E HA 0.018 4.376 4.350 0.014 0.000 0.188 160 E C 0.176 176.854 176.600 0.130 0.000 1.056 160 E CA -0.793 55.622 56.400 0.025 0.000 0.892 160 E CB -0.965 28.698 29.700 -0.061 0.000 1.049 160 E HN -0.023 8.312 8.360 -0.016 0.015 0.465 161 G N -1.593 107.253 108.800 0.076 0.000 2.681 161 G HA2 -0.329 3.617 3.960 -0.024 0.000 0.220 161 G HA3 -0.329 3.628 3.960 -0.005 0.000 0.220 161 G C -1.348 173.508 174.900 -0.074 0.000 1.353 161 G CA -0.416 44.685 45.100 0.000 0.000 0.872 161 G HN -0.028 8.118 8.290 0.086 0.195 0.557 162 L N 0.794 121.893 121.223 -0.206 0.000 2.343 162 L HA 0.330 4.412 4.340 -0.430 0.000 0.275 162 L C -0.559 176.202 176.870 -0.181 0.000 1.056 162 L CA -0.490 54.175 54.840 -0.293 0.000 0.804 162 L CB 1.432 43.252 42.059 -0.399 0.000 1.203 162 L HN 0.292 8.400 8.230 -0.204 0.000 0.440 163 H N -0.246 118.758 119.070 -0.110 0.000 2.928 163 H HA 0.737 5.408 4.556 -0.116 -0.185 0.371 163 H C -0.583 174.771 175.328 0.043 0.000 1.186 163 H CA -1.645 54.366 56.048 -0.061 0.000 1.134 163 H CB 4.217 33.941 29.762 -0.063 0.000 1.824 163 H HN 0.018 8.367 8.280 0.114 0.000 0.554 164 D N 1.811 122.216 120.400 0.009 0.000 2.249 164 D HA -0.079 4.523 4.640 -0.063 0.000 0.269 164 D C 0.885 177.242 176.300 0.094 0.000 1.220 164 D CA -1.093 52.875 54.000 -0.053 0.000 1.016 164 D CB 0.595 41.252 40.800 -0.239 0.000 1.133 164 D HN -0.144 8.179 8.370 -0.078 0.000 0.533 165 G N -3.937 104.903 108.800 0.067 0.000 2.551 165 G HA2 -0.184 3.850 3.960 0.123 0.000 0.216 165 G HA3 -0.184 3.817 3.960 0.069 0.000 0.216 165 G C 0.450 175.386 174.900 0.061 0.000 1.137 165 G CA 1.366 46.517 45.100 0.085 0.000 0.798 165 G HN 0.344 8.658 8.290 0.041 0.000 0.536 166 K N -0.684 119.741 120.400 0.042 0.000 2.393 166 K HA 0.075 4.412 4.320 0.029 0.000 0.193 166 K C 0.261 176.879 176.600 0.031 0.000 1.026 166 K CA -0.232 56.073 56.287 0.030 0.000 1.064 166 K CB 0.375 32.887 32.500 0.019 0.000 0.833 166 K HN -0.691 7.693 8.250 0.033 -0.114 0.521 167 G N -2.383 106.448 108.800 0.052 0.000 2.231 167 G HA2 -0.358 3.626 3.960 0.040 0.000 0.206 167 G HA3 -0.358 3.613 3.960 0.019 0.000 0.206 167 G C -0.815 174.179 174.900 0.157 0.000 0.996 167 G CA -0.437 44.697 45.100 0.057 0.000 0.645 167 G HN 0.125 8.639 8.290 0.064 -0.186 0.498 168 K N 1.023 121.476 120.400 0.087 0.000 2.414 168 K HA -0.104 4.259 4.320 0.072 0.000 0.272 168 K C -1.162 175.416 176.600 -0.037 0.000 0.993 168 K CA -0.058 56.253 56.287 0.040 0.000 0.964 168 K CB 1.271 33.733 32.500 -0.064 0.000 0.925 168 K HN -0.453 8.025 8.250 0.037 -0.207 0.487 169 A N 3.386 126.069 122.820 -0.229 0.000 2.366 169 A HA 0.251 3.516 4.320 -1.990 -0.138 0.272 169 A C -0.614 176.644 177.584 -0.544 0.000 1.135 169 A CA -0.321 51.188 52.037 -0.881 0.000 0.804 169 A CB 0.709 19.330 19.000 -0.633 0.000 1.064 169 A HN 0.218 8.306 8.150 -0.104 0.000 0.499 170 L N 5.648 126.535 121.223 -0.559 0.000 2.298 170 L HA 0.312 4.378 4.340 -0.455 0.000 0.284 170 L C -1.349 175.364 176.870 -0.262 0.000 1.013 170 L CA -0.634 53.934 54.840 -0.454 0.000 0.824 170 L CB 1.226 42.946 42.059 -0.564 0.000 1.221 170 L HN 0.697 8.398 8.230 -0.681 0.119 0.418 171 T N 4.686 119.146 114.554 -0.155 0.000 2.807 171 T HA 0.486 4.846 4.350 -0.256 -0.164 0.279 171 T C -1.122 173.649 174.700 0.118 0.000 0.993 171 T CA -1.103 60.912 62.100 -0.142 0.000 0.970 171 T CB 2.456 71.204 68.868 -0.200 0.000 0.950 171 T HN 0.113 8.257 8.240 -0.160 0.000 0.441 172 Y N 1.963 122.402 120.300 0.232 0.000 2.387 172 Y HA 0.168 4.912 4.550 0.324 0.000 0.336 172 Y C -1.494 174.451 175.900 0.075 0.000 1.067 172 Y CA -2.291 55.946 58.100 0.227 0.000 1.114 172 Y CB 0.745 39.319 38.460 0.190 0.000 1.208 172 Y HN 0.289 8.174 8.280 -0.883 -0.135 0.458 173 D N 1.403 121.926 120.400 0.206 0.000 2.271 173 D HA -0.013 4.653 4.640 0.043 0.000 0.206 173 D C -0.364 176.038 176.300 0.169 0.000 0.967 173 D CA 2.483 56.554 54.000 0.118 0.000 0.867 173 D CB 0.924 41.772 40.800 0.080 0.000 0.960 173 D HN 0.331 8.717 8.370 0.190 0.098 0.509 174 K N -2.284 118.240 120.400 0.206 0.000 2.498 174 K HA 0.316 4.655 4.320 0.031 0.000 0.254 174 K C -2.545 174.004 176.600 -0.085 0.000 0.933 174 K CA -1.101 55.218 56.287 0.052 0.000 0.806 174 K CB 3.897 36.434 32.500 0.062 0.000 1.301 174 K HN -0.405 7.979 8.250 0.224 0.000 0.432 175 I N 2.235 122.616 120.570 -0.316 0.000 2.533 175 I HA 0.767 4.965 4.170 -0.301 -0.208 0.290 175 I C -2.408 173.403 176.117 -0.510 0.000 1.056 175 I CA -1.473 59.599 61.300 -0.379 0.000 1.057 175 I CB 3.083 40.841 38.000 -0.403 0.000 1.240 175 I HN 0.329 8.337 8.210 -0.335 0.000 0.423 176 Y N 5.845 126.145 120.300 0.001 0.000 2.499 176 Y HA 0.526 5.215 4.550 -0.019 -0.151 0.347 176 Y C -1.901 174.021 175.900 0.036 0.000 0.987 176 Y CA -2.440 55.654 58.100 -0.009 0.000 1.044 176 Y CB 3.671 42.116 38.460 -0.025 0.000 1.245 176 Y HN 0.227 8.524 8.280 0.028 0.000 0.461 177 Y N 2.829 123.158 120.300 0.048 0.000 2.345 177 Y HA 0.511 5.219 4.550 -0.043 -0.183 0.331 177 Y C -2.290 173.556 175.900 -0.091 0.000 0.959 177 Y CA -2.859 55.224 58.100 -0.029 0.000 1.204 177 Y CB 1.955 40.410 38.460 -0.008 0.000 1.135 177 Y HN 0.644 8.942 8.280 0.227 0.118 0.477 178 V N 9.768 129.355 119.914 -0.545 0.000 2.311 178 V HA 0.236 3.947 4.120 -0.681 0.000 0.275 178 V C -1.222 174.198 176.094 -1.124 0.000 1.022 178 V CA -2.445 59.390 62.300 -0.775 0.000 0.830 178 V CB 0.468 31.946 31.823 -0.574 0.000 1.012 178 V HN 0.684 8.758 8.190 -0.195 0.000 0.452 179 G N 6.975 115.144 108.800 -1.052 0.000 2.320 179 G HA2 0.204 3.990 3.960 -0.499 0.000 0.300 179 G HA3 0.204 3.877 3.960 -0.478 0.000 0.300 179 G C -2.324 172.425 174.900 -0.252 0.000 1.126 179 G CA -1.412 43.322 45.100 -0.610 0.000 0.896 179 G HN 0.290 7.993 8.290 -0.977 0.000 0.436 180 E N 6.027 126.183 120.200 -0.074 0.000 2.277 180 E HA 0.702 5.571 4.350 0.527 -0.203 0.274 180 E C -1.536 175.095 176.600 0.052 0.000 1.022 180 E CA -1.429 55.155 56.400 0.307 0.000 0.853 180 E CB 3.115 33.247 29.700 0.719 0.000 1.086 180 E HN 0.137 8.422 8.360 -0.125 0.000 0.397 181 Q N 4.708 124.452 119.800 -0.093 0.000 2.271 181 Q HA 0.265 4.455 4.340 -0.251 0.000 0.268 181 Q C -2.533 173.131 176.000 -0.560 0.000 1.021 181 Q CA -1.202 54.383 55.803 -0.363 0.000 0.802 181 Q CB 3.854 32.268 28.738 -0.539 0.000 1.282 181 Q HN 0.550 8.773 8.270 -0.077 0.000 0.431 182 D N 5.216 125.350 120.400 -0.443 0.000 2.317 182 D HA 0.266 4.823 4.640 -0.398 -0.156 0.234 182 D C -1.431 174.560 176.300 -0.514 0.000 1.112 182 D CA -1.160 52.593 54.000 -0.412 0.000 0.840 182 D CB 0.364 41.048 40.800 -0.194 0.000 1.078 182 D HN 0.039 8.232 8.370 -0.294 0.000 0.486 183 F N 1.611 121.412 119.950 -0.248 0.000 2.403 183 F HA 0.042 4.640 4.527 0.119 0.000 0.326 183 F C -1.513 173.983 175.800 -0.506 0.000 1.099 183 F CA -1.674 56.244 58.000 -0.137 0.000 1.036 183 F CB 3.482 42.437 39.000 -0.075 0.000 1.336 183 F HN 0.419 8.550 8.300 -0.282 0.000 0.497 184 Y N -4.290 116.224 120.300 0.355 0.000 2.441 184 Y HA 0.038 4.737 4.550 0.249 0.000 0.345 184 Y C -1.903 174.131 175.900 0.223 0.000 1.129 184 Y CA -0.903 57.344 58.100 0.246 0.000 1.333 184 Y CB 0.131 38.701 38.460 0.182 0.000 1.104 184 Y HN 0.005 8.634 8.280 0.581 0.000 0.551 185 V N 3.627 123.728 119.914 0.310 0.000 2.432 185 V HA 0.225 4.482 4.120 0.229 0.000 0.275 185 V C -2.011 174.302 176.094 0.365 0.000 1.043 185 V CA -2.634 59.823 62.300 0.262 0.000 0.925 185 V CB 0.939 32.787 31.823 0.042 0.000 0.985 185 V HN -0.213 8.162 8.190 0.307 0.000 0.466 186 P HA 0.090 4.646 4.420 0.227 0.000 0.271 186 P C -1.729 175.735 177.300 0.273 0.000 1.216 186 P CA -0.048 63.217 63.100 0.276 0.000 0.771 186 P CB 0.461 32.327 31.700 0.276 0.000 0.864 187 R N 1.377 121.972 120.500 0.159 0.000 2.832 187 R HA 0.573 5.083 4.340 0.062 -0.133 0.271 187 R C -0.237 176.077 176.300 0.023 0.000 0.996 187 R CA -1.557 54.571 56.100 0.045 0.000 0.977 187 R CB 3.390 33.636 30.300 -0.090 0.000 1.168 187 R HN -0.014 8.337 8.270 0.136 0.000 0.482 188 D N 1.435 121.827 120.400 -0.013 0.000 2.342 188 D HA -0.080 4.564 4.640 0.006 0.000 0.284 188 D C 1.054 177.342 176.300 -0.020 0.000 1.198 188 D CA -0.413 53.580 54.000 -0.012 0.000 1.061 188 D CB 0.344 41.128 40.800 -0.027 0.000 1.130 188 D HN 0.285 8.632 8.370 -0.037 0.000 0.541 189 E N -3.225 116.963 120.200 -0.020 0.000 2.230 189 E HA -0.173 4.167 4.350 -0.016 0.000 0.192 189 E C 0.984 177.565 176.600 -0.031 0.000 0.987 189 E CA 1.692 58.080 56.400 -0.020 0.000 0.841 189 E CB -0.232 29.459 29.700 -0.015 0.000 0.783 189 E HN 0.139 8.488 8.360 -0.019 0.000 0.481 190 N N -2.426 116.252 118.700 -0.038 0.000 2.467 190 N HA -0.035 4.683 4.740 -0.037 0.000 0.184 190 N C 0.487 175.958 175.510 -0.065 0.000 1.106 190 N CA 0.207 53.231 53.050 -0.044 0.000 0.892 190 N CB 0.668 39.131 38.487 -0.040 0.000 0.969 190 N HN -0.501 7.981 8.380 -0.036 -0.123 0.454 191 G N -1.723 107.025 108.800 -0.085 0.000 2.176 191 G HA2 -0.424 3.453 3.960 -0.138 0.000 0.232 191 G HA3 -0.424 3.460 3.960 -0.125 0.000 0.232 191 G C -0.961 173.799 174.900 -0.233 0.000 0.986 191 G CA -0.206 44.810 45.100 -0.140 0.000 0.643 191 G HN -0.048 8.315 8.290 -0.072 -0.116 0.522 192 K N 1.514 121.812 120.400 -0.171 0.000 2.205 192 K HA 0.214 4.390 4.320 -0.240 0.000 0.279 192 K C -0.211 176.289 176.600 -0.166 0.000 1.027 192 K CA -0.791 55.390 56.287 -0.177 0.000 0.932 192 K CB 1.012 33.471 32.500 -0.069 0.000 1.032 192 K HN -0.486 7.885 8.250 -0.112 -0.188 0.466 193 Y N 2.106 122.422 120.300 0.026 0.000 2.578 193 Y HA -0.111 4.606 4.550 0.061 -0.131 0.339 193 Y C 0.987 176.885 175.900 -0.003 0.000 1.231 193 Y CA 1.696 59.816 58.100 0.033 0.000 1.461 193 Y CB 0.298 38.772 38.460 0.023 0.000 1.323 193 Y HN 0.365 8.531 8.280 -0.190 0.000 0.590 194 K N 3.080 123.588 120.400 0.180 0.000 2.123 194 K HA 0.205 4.476 4.320 -0.082 0.000 0.259 194 K C -0.716 175.826 176.600 -0.096 0.000 0.960 194 K CA -0.627 55.636 56.287 -0.039 0.000 0.872 194 K CB 1.557 33.994 32.500 -0.105 0.000 1.079 194 K HN 0.230 8.649 8.250 0.281 0.000 0.440 195 K N 1.183 121.407 120.400 -0.293 0.000 2.328 195 K HA 0.209 4.601 4.320 0.120 0.000 0.246 195 K C -1.123 175.238 176.600 -0.399 0.000 0.955 195 K CA -0.833 55.370 56.287 -0.141 0.000 0.817 195 K CB 1.953 34.429 32.500 -0.040 0.000 1.208 195 K HN -0.005 8.053 8.250 -0.320 0.000 0.432 196 Y N -0.033 120.361 120.300 0.157 0.000 3.013 196 Y HA 0.250 4.857 4.550 0.094 0.000 0.310 196 Y C 0.189 176.209 175.900 0.199 0.000 1.450 196 Y CA -1.809 56.380 58.100 0.149 0.000 1.091 196 Y CB 2.332 40.859 38.460 0.111 0.000 1.373 196 Y HN 0.350 8.959 8.280 0.548 0.000 0.590 197 E N -1.319 119.091 120.200 0.351 0.000 2.453 197 E HA 0.111 4.608 4.350 0.245 0.000 0.211 197 E C -0.864 175.890 176.600 0.256 0.000 0.897 197 E CA -0.792 55.758 56.400 0.250 0.000 1.063 197 E CB 1.793 31.578 29.700 0.142 0.000 1.080 197 E HN 0.565 9.132 8.360 0.346 0.000 0.512 198 A N -1.529 121.342 122.820 0.085 0.000 2.485 198 A HA 0.628 4.996 4.320 0.081 0.000 0.292 198 A C -2.518 174.684 177.584 -0.636 0.000 1.147 198 A CA -2.389 49.593 52.037 -0.092 0.000 0.750 198 A CB 1.142 20.130 19.000 -0.020 0.000 1.331 198 A HN -0.834 7.367 8.150 0.085 0.000 0.419 199 P HA -0.067 3.926 4.420 -0.712 0.000 0.218 199 P C 1.276 178.606 177.300 0.049 0.000 1.152 199 P CA 1.474 64.373 63.100 -0.336 0.000 0.826 199 P CB 0.714 32.377 31.700 -0.061 0.000 0.790 200 G N -0.681 108.145 108.800 0.043 0.000 2.421 200 G HA2 -0.281 3.704 3.960 0.041 0.000 0.217 200 G HA3 -0.281 3.672 3.960 -0.012 0.000 0.217 200 G C 0.780 175.625 174.900 -0.092 0.000 1.143 200 G CA 1.614 46.721 45.100 0.013 0.000 0.784 200 G HN 0.495 8.780 8.290 -0.008 0.000 0.541 201 D N 1.270 121.599 120.400 -0.118 0.000 2.221 201 D HA -0.175 4.437 4.640 -0.048 0.000 0.204 201 D C 0.550 176.648 176.300 -0.336 0.000 0.982 201 D CA 2.315 56.248 54.000 -0.110 0.000 0.857 201 D CB -0.543 40.271 40.800 0.024 0.000 0.934 201 D HN 0.347 8.630 8.370 -0.117 0.017 0.475 202 A N -4.219 118.281 122.820 -0.533 0.000 2.460 202 A HA 0.156 3.837 4.320 -1.064 0.000 0.258 202 A C -0.095 177.294 177.584 -0.325 0.000 1.300 202 A CA -0.582 50.986 52.037 -0.781 0.000 0.913 202 A CB -0.181 18.261 19.000 -0.929 0.000 1.031 202 A HN -0.649 7.239 8.150 -0.380 0.034 0.512 203 Y N 1.718 121.730 120.300 -0.480 0.000 2.153 203 Y HA -0.448 3.448 4.550 -1.090 0.000 0.289 203 Y C 1.115 176.715 175.900 -0.500 0.000 1.127 203 Y CA 3.713 61.338 58.100 -0.792 0.000 1.131 203 Y CB 0.389 38.240 38.460 -1.014 0.000 0.995 203 Y HN -0.184 7.804 8.280 -0.197 0.173 0.505 204 E N -1.627 118.343 120.200 -0.383 0.000 2.051 204 E HA -0.394 3.669 4.350 -0.478 0.000 0.192 204 E C 2.117 178.557 176.600 -0.267 0.000 0.991 204 E CA 3.762 59.957 56.400 -0.343 0.000 0.799 204 E CB -0.436 29.170 29.700 -0.156 0.000 0.748 204 E HN 0.191 8.428 8.360 -0.206 0.000 0.449 205 D N -2.109 118.188 120.400 -0.172 0.000 2.144 205 D HA -0.185 4.432 4.640 -0.037 0.000 0.199 205 D C 2.344 178.602 176.300 -0.070 0.000 0.984 205 D CA 3.151 57.114 54.000 -0.062 0.000 0.834 205 D CB -0.506 40.328 40.800 0.056 0.000 0.955 205 D HN 0.327 8.595 8.370 -0.170 0.000 0.465 206 T N 3.568 118.040 114.554 -0.136 0.000 2.737 206 T HA -0.308 4.087 4.350 0.074 0.000 0.265 206 T C 1.832 176.445 174.700 -0.145 0.000 1.038 206 T CA 4.370 66.439 62.100 -0.053 0.000 1.144 206 T CB 0.173 69.045 68.868 0.007 0.000 0.866 206 T HN -0.721 7.378 8.240 -0.218 0.010 0.434 207 V N 2.033 121.729 119.914 -0.363 0.000 2.324 207 V HA -0.544 3.381 4.120 -0.325 0.000 0.250 207 V C 1.561 177.534 176.094 -0.201 0.000 1.060 207 V CA 5.002 67.086 62.300 -0.361 0.000 1.042 207 V CB -0.470 31.028 31.823 -0.541 0.000 0.650 207 V HN -0.008 7.857 8.190 -0.542 0.000 0.450 208 K N -0.608 119.700 120.400 -0.154 0.000 2.063 208 K HA -0.328 3.943 4.320 -0.081 0.000 0.208 208 K C 2.243 178.829 176.600 -0.024 0.000 1.048 208 K CA 3.828 60.069 56.287 -0.075 0.000 0.928 208 K CB -0.193 32.279 32.500 -0.046 0.000 0.713 208 K HN -0.667 7.470 8.250 -0.186 0.002 0.442 209 V N -0.920 119.006 119.914 0.020 0.000 2.379 209 V HA -0.513 3.680 4.120 0.122 0.000 0.245 209 V C 1.821 177.967 176.094 0.086 0.000 1.044 209 V CA 3.644 66.017 62.300 0.121 0.000 1.036 209 V CB 0.107 32.071 31.823 0.234 0.000 0.664 209 V HN -0.836 7.272 8.190 0.007 0.087 0.453 210 M N -1.349 118.182 119.600 -0.115 0.000 2.149 210 M HA -0.506 3.313 4.480 -1.101 0.000 0.261 210 M C 2.737 178.890 176.300 -0.245 0.000 1.064 210 M CA 4.429 59.436 55.300 -0.489 0.000 1.102 210 M CB -0.351 31.965 32.600 -0.472 0.000 1.369 210 M HN 0.205 8.371 8.290 -0.092 0.069 0.408 211 R N -1.060 119.363 120.500 -0.128 0.000 2.096 211 R HA -0.257 4.034 4.340 -0.082 0.000 0.235 211 R C 1.652 177.940 176.300 -0.020 0.000 1.127 211 R CA 3.379 59.435 56.100 -0.072 0.000 0.968 211 R CB -0.153 30.112 30.300 -0.058 0.000 0.861 211 R HN 0.129 8.315 8.270 -0.122 0.011 0.440 212 T N -2.084 112.480 114.554 0.018 0.000 3.077 212 T HA -0.139 4.234 4.350 0.038 0.000 0.269 212 T C 0.392 175.144 174.700 0.087 0.000 1.146 212 T CA 1.135 63.270 62.100 0.058 0.000 1.091 212 T CB -0.211 68.710 68.868 0.088 0.000 0.892 212 T HN -0.521 7.624 8.240 0.017 0.105 0.533 213 L N -3.709 117.571 121.223 0.094 0.000 3.976 213 L HA -0.384 4.043 4.340 0.144 0.000 0.418 213 L C -0.864 176.133 176.870 0.213 0.000 1.177 213 L CA 1.317 56.242 54.840 0.141 0.000 0.968 213 L CB -2.446 39.660 42.059 0.078 0.000 1.933 213 L HN -0.227 7.826 8.230 0.035 0.198 0.976 214 T N 0.805 115.529 114.554 0.284 0.000 2.963 214 T HA 0.303 4.724 4.350 0.119 0.000 0.328 214 T C -2.283 172.497 174.700 0.133 0.000 1.048 214 T CA -2.317 59.886 62.100 0.172 0.000 1.033 214 T CB 1.214 70.144 68.868 0.104 0.000 1.010 214 T HN -0.660 7.754 8.240 0.338 0.029 0.469 215 P HA 0.198 3.980 4.420 -1.280 -0.130 0.271 215 P C 0.232 177.387 177.300 -0.242 0.000 1.226 215 P CA -0.743 62.005 63.100 -0.587 0.000 0.765 215 P CB 0.849 32.184 31.700 -0.609 0.000 0.835 216 T N -1.430 113.062 114.554 -0.104 0.000 2.962 216 T HA -0.299 4.001 4.350 -0.084 0.000 0.270 216 T C -0.601 173.838 174.700 -0.435 0.000 1.088 216 T CA 1.801 63.895 62.100 -0.011 0.000 1.127 216 T CB 0.571 69.704 68.868 0.442 0.000 0.883 216 T HN -0.011 8.151 8.240 -0.131 0.000 0.493 217 H N -1.341 117.666 119.070 -0.104 0.000 3.026 217 H HA 0.249 4.751 4.556 -0.090 0.000 0.352 217 H C -2.497 172.738 175.328 -0.155 0.000 1.090 217 H CA -0.165 55.829 56.048 -0.090 0.000 1.268 217 H CB 3.308 33.047 29.762 -0.039 0.000 1.816 217 H HN -0.813 7.469 8.280 0.056 0.031 0.518 218 V N 4.438 124.281 119.914 -0.118 0.000 2.409 218 V HA 0.531 4.695 4.120 -0.252 -0.195 0.290 218 V C -1.245 174.631 176.094 -0.363 0.000 1.017 218 V CA -1.739 60.422 62.300 -0.231 0.000 0.841 218 V CB 1.204 32.899 31.823 -0.213 0.000 1.003 218 V HN 0.334 8.445 8.190 -0.131 0.000 0.426 219 V N -1.651 118.028 119.914 -0.391 0.000 3.084 219 V HA 0.846 4.485 4.120 -0.986 -0.111 0.311 219 V C -2.348 173.397 176.094 -0.582 0.000 1.311 219 V CA -3.452 58.477 62.300 -0.618 0.000 1.062 219 V CB 3.650 35.317 31.823 -0.259 0.000 1.113 219 V HN 0.181 8.187 8.190 -0.305 0.000 0.468 220 F N -2.311 117.606 119.950 -0.055 0.000 2.507 220 F HA 0.682 5.309 4.527 -0.133 -0.180 0.325 220 F C 0.567 176.299 175.800 -0.114 0.000 1.116 220 F CA -3.161 54.779 58.000 -0.101 0.000 0.930 220 F CB 1.933 40.888 39.000 -0.075 0.000 1.146 220 F HN -0.115 7.934 8.300 -0.418 0.000 0.447 221 N N 1.930 120.656 118.700 0.043 0.000 2.925 221 N HA -0.379 4.386 4.740 -0.056 -0.058 0.244 221 N C -0.396 175.131 175.510 0.029 0.000 1.000 221 N CA 0.985 54.028 53.050 -0.012 0.000 0.895 221 N CB 0.026 38.496 38.487 -0.027 0.000 1.119 221 N HN 0.644 9.031 8.380 0.012 0.000 0.569 222 G N -4.837 104.005 108.800 0.069 0.000 2.132 222 G HA2 -0.385 3.756 3.960 0.302 0.000 0.234 222 G HA3 -0.385 3.646 3.960 0.118 0.000 0.234 222 G C -2.402 172.556 174.900 0.097 0.000 0.989 222 G CA 0.379 45.569 45.100 0.151 0.000 0.676 222 G HN 0.435 8.710 8.290 0.055 0.048 0.522 223 A N -3.160 119.685 122.820 0.041 0.000 2.573 223 A HA 0.192 4.612 4.320 -0.008 -0.104 0.299 223 A C -2.100 175.461 177.584 -0.039 0.000 1.060 223 A CA -0.065 51.967 52.037 -0.007 0.000 0.736 223 A CB 2.542 21.527 19.000 -0.026 0.000 1.280 223 A HN -0.916 7.247 8.150 0.022 0.000 0.401 224 V N 2.059 121.948 119.914 -0.042 0.000 2.557 224 V HA -0.402 3.653 4.120 -0.110 0.000 0.301 224 V C 1.278 177.347 176.094 -0.043 0.000 1.026 224 V CA 2.365 64.632 62.300 -0.056 0.000 1.137 224 V CB -0.028 31.787 31.823 -0.013 0.000 0.917 224 V HN 0.520 8.590 8.190 -0.032 0.101 0.484 225 G N 4.759 113.524 108.800 -0.059 0.000 2.147 225 G HA2 -0.350 3.575 3.960 -0.058 0.000 0.244 225 G HA3 -0.350 3.606 3.960 -0.007 0.000 0.244 225 G C -0.374 174.499 174.900 -0.044 0.000 1.005 225 G CA 0.575 45.652 45.100 -0.039 0.000 0.713 225 G HN 0.574 8.808 8.290 -0.094 0.000 0.515 226 A N -0.033 122.757 122.820 -0.051 0.000 1.897 226 A HA -0.105 4.196 4.320 -0.032 0.000 0.215 226 A C -0.499 177.044 177.584 -0.069 0.000 1.181 226 A CA 1.857 53.869 52.037 -0.042 0.000 0.620 226 A CB 0.317 19.301 19.000 -0.027 0.000 0.821 226 A HN -0.246 7.844 8.150 -0.058 0.025 0.443 227 L N -3.303 117.861 121.223 -0.099 0.000 2.928 227 L HA 0.226 4.452 4.340 -0.190 0.000 0.236 227 L C -1.050 175.690 176.870 -0.217 0.000 1.290 227 L CA -1.371 53.359 54.840 -0.183 0.000 1.099 227 L CB -1.855 40.078 42.059 -0.209 0.000 1.437 227 L HN -0.186 8.000 8.230 -0.074 0.000 0.493 228 T N -7.240 107.234 114.554 -0.134 0.000 2.903 228 T HA 0.303 4.631 4.350 -0.037 0.000 0.299 228 T C 0.351 175.059 174.700 0.014 0.000 1.093 228 T CA -2.202 59.873 62.100 -0.041 0.000 1.002 228 T CB 2.439 71.317 68.868 0.017 0.000 1.127 228 T HN -0.902 7.192 8.240 -0.095 0.089 0.488 229 G N 5.707 114.537 108.800 0.051 0.000 2.596 229 G HA2 -0.415 3.576 3.960 0.051 0.000 0.258 229 G HA3 -0.415 3.567 3.960 0.037 0.000 0.258 229 G C 0.565 175.475 174.900 0.016 0.000 1.207 229 G CA 1.131 46.254 45.100 0.039 0.000 0.954 229 G HN 0.578 8.920 8.290 0.086 0.000 0.551 230 D N 4.118 124.528 120.400 0.015 0.000 2.264 230 D HA -0.146 4.508 4.640 0.024 0.000 0.208 230 D C 0.127 176.435 176.300 0.013 0.000 0.966 230 D CA 1.719 55.731 54.000 0.020 0.000 0.864 230 D CB -1.013 39.803 40.800 0.026 0.000 0.933 230 D HN 0.284 8.664 8.370 0.018 0.000 0.499 231 K N -2.286 118.102 120.400 -0.020 0.000 2.374 231 K HA 0.093 4.407 4.320 -0.010 0.000 0.196 231 K C -0.576 175.910 176.600 -0.191 0.000 1.023 231 K CA -0.739 55.508 56.287 -0.068 0.000 1.103 231 K CB 0.510 32.965 32.500 -0.076 0.000 0.848 231 K HN -0.708 7.493 8.250 -0.021 0.036 0.528 232 A N -0.054 122.668 122.820 -0.162 0.000 2.566 232 A HA -0.208 4.203 4.320 -0.349 -0.300 0.245 232 A C 0.485 177.806 177.584 -0.438 0.000 1.056 232 A CA 0.650 52.527 52.037 -0.267 0.000 0.757 232 A CB 0.488 19.433 19.000 -0.091 0.000 0.979 232 A HN -0.768 7.166 8.150 -0.082 0.167 0.508 233 M N 3.442 122.507 119.600 -0.893 0.000 2.150 233 M HA -0.137 3.753 4.480 -0.983 0.000 0.278 233 M C -0.176 175.839 176.300 -0.474 0.000 1.213 233 M CA 2.088 56.749 55.300 -1.064 0.000 1.147 233 M CB 1.073 32.450 32.600 -2.039 0.000 1.371 233 M HN -0.045 7.542 8.290 -1.172 0.000 0.444 234 T N -7.175 107.222 114.554 -0.261 0.000 2.900 234 T HA 1.027 5.555 4.350 -0.061 -0.215 0.303 234 T C -1.415 173.306 174.700 0.036 0.000 1.142 234 T CA -2.364 59.712 62.100 -0.040 0.000 1.007 234 T CB 2.998 71.887 68.868 0.034 0.000 1.156 234 T HN -0.150 7.864 8.240 -0.375 0.000 0.490 235 A N 1.179 123.945 122.820 -0.090 0.000 2.599 235 A HA 0.605 5.083 4.320 -0.001 -0.158 0.294 235 A C -3.156 174.295 177.584 -0.221 0.000 1.055 235 A CA 0.043 51.978 52.037 -0.170 0.000 0.683 235 A CB 3.879 22.589 19.000 -0.483 0.000 1.278 235 A HN 0.316 8.398 8.150 -0.114 0.000 0.412 236 A N 0.003 122.762 122.820 -0.103 0.000 2.355 236 A HA 0.867 5.369 4.320 -0.072 -0.225 0.324 236 A C -1.228 176.353 177.584 -0.006 0.000 1.117 236 A CA -2.699 49.307 52.037 -0.051 0.000 0.785 236 A CB 3.048 22.050 19.000 0.003 0.000 1.254 236 A HN 0.278 8.699 8.150 -0.036 -0.293 0.453 237 V N 1.317 121.242 119.914 0.018 0.000 2.681 237 V HA -0.595 3.710 4.120 0.101 -0.125 0.306 237 V C 1.322 177.443 176.094 0.045 0.000 1.077 237 V CA 2.137 64.470 62.300 0.055 0.000 1.224 237 V CB -0.938 30.911 31.823 0.043 0.000 0.879 237 V HN 0.128 8.325 8.190 0.013 0.000 0.494 238 G N 7.299 116.124 108.800 0.042 0.000 2.195 238 G HA2 -0.343 3.619 3.960 0.002 0.000 0.246 238 G HA3 -0.343 3.631 3.960 0.022 0.000 0.246 238 G C -0.834 174.088 174.900 0.036 0.000 0.984 238 G CA -0.193 44.920 45.100 0.022 0.000 0.633 238 G HN 0.811 9.020 8.290 0.048 0.110 0.525 239 E N 1.296 121.535 120.200 0.066 0.000 2.266 239 E HA 0.149 4.656 4.350 0.061 -0.121 0.277 239 E C -1.084 175.547 176.600 0.052 0.000 1.018 239 E CA -0.693 55.753 56.400 0.076 0.000 0.840 239 E CB 2.218 31.975 29.700 0.095 0.000 1.082 239 E HN -0.156 8.186 8.360 0.090 0.072 0.395 240 K N 1.584 121.988 120.400 0.006 0.000 2.185 240 K HA 0.425 4.645 4.320 -0.423 -0.154 0.269 240 K C -1.341 175.095 176.600 -0.274 0.000 0.987 240 K CA -1.307 54.832 56.287 -0.247 0.000 0.865 240 K CB 1.994 34.541 32.500 0.077 0.000 1.090 240 K HN 0.045 8.604 8.250 0.055 -0.276 0.450 241 V N 2.582 122.198 119.914 -0.496 0.000 2.760 241 V HA 0.803 5.103 4.120 -0.045 -0.207 0.309 241 V C -2.045 173.873 176.094 -0.295 0.000 1.077 241 V CA -1.721 60.475 62.300 -0.174 0.000 0.910 241 V CB 4.202 36.122 31.823 0.162 0.000 1.008 241 V HN 0.231 7.952 8.190 -0.782 0.000 0.424 242 L N 7.418 128.530 121.223 -0.186 0.000 2.272 242 L HA 0.638 5.164 4.340 -0.003 -0.188 0.289 242 L C -2.073 174.762 176.870 -0.059 0.000 1.032 242 L CA -1.263 53.510 54.840 -0.111 0.000 0.810 242 L CB 2.866 44.764 42.059 -0.268 0.000 1.205 242 L HN 0.534 8.650 8.230 -0.191 0.000 0.422 243 I N 7.215 127.790 120.570 0.008 0.000 2.371 243 I HA 0.406 4.797 4.170 0.069 -0.180 0.282 243 I C -0.620 175.545 176.117 0.080 0.000 1.031 243 I CA -1.143 60.171 61.300 0.024 0.000 1.180 243 I CB 0.538 38.472 38.000 -0.110 0.000 1.336 243 I HN 0.763 8.990 8.210 0.029 0.000 0.467 244 V N 8.153 128.132 119.914 0.109 0.000 2.583 244 V HA 0.075 4.428 4.120 0.138 -0.150 0.287 244 V C -1.538 174.727 176.094 0.284 0.000 1.051 244 V CA -0.032 62.365 62.300 0.162 0.000 1.010 244 V CB 0.929 32.806 31.823 0.090 0.000 0.988 244 V HN 0.316 8.564 8.190 0.097 0.000 0.478 245 H N 8.309 127.481 119.070 0.170 0.000 2.771 245 H HA 0.702 5.563 4.556 0.146 -0.217 0.361 245 H C -1.754 173.659 175.328 0.142 0.000 1.108 245 H CA -1.680 54.458 56.048 0.151 0.000 1.201 245 H CB 3.634 33.464 29.762 0.113 0.000 1.681 245 H HN -0.056 8.385 8.280 0.269 0.000 0.534 246 S N 3.550 119.466 115.700 0.360 0.000 2.549 246 S HA 0.410 5.124 4.470 0.185 -0.133 0.280 246 S C -1.895 172.837 174.600 0.219 0.000 1.109 246 S CA -1.134 57.219 58.200 0.255 0.000 0.905 246 S CB 3.517 66.822 63.200 0.175 0.000 1.081 246 S HN 0.020 8.328 8.310 -0.003 0.000 0.477 247 Q N 3.951 123.816 119.800 0.109 0.000 2.350 247 Q HA 0.353 4.736 4.340 0.072 0.000 0.255 247 Q C -1.713 174.289 176.000 0.003 0.000 0.951 247 Q CA -0.045 55.795 55.803 0.062 0.000 0.751 247 Q CB 3.746 32.511 28.738 0.044 0.000 1.296 247 Q HN -0.222 8.077 8.270 0.049 0.000 0.453 248 A N 5.485 128.309 122.820 0.007 0.000 3.181 248 A HA 0.111 4.509 4.320 0.025 -0.063 0.293 248 A C -1.635 175.966 177.584 0.028 0.000 1.346 248 A CA -0.420 51.638 52.037 0.035 0.000 1.018 248 A CB -0.307 18.746 19.000 0.089 0.000 1.093 248 A HN 0.847 9.001 8.150 0.006 0.000 0.629 249 N N -3.249 115.463 118.700 0.019 0.000 3.608 249 N HA -0.067 4.690 4.740 0.027 0.000 0.134 249 N C -2.106 173.432 175.510 0.046 0.000 0.977 249 N CA 0.827 53.896 53.050 0.031 0.000 3.004 249 N CB 1.188 39.699 38.487 0.040 0.000 1.225 249 N HN -0.247 8.186 8.380 0.011 -0.046 0.796 250 R N -1.961 118.552 120.500 0.023 0.000 4.498 250 R HA 0.066 4.432 4.340 0.043 0.000 0.244 250 R C -3.011 173.270 176.300 -0.032 0.000 0.975 250 R CA -0.291 55.822 56.100 0.023 0.000 1.233 250 R CB 2.242 32.564 30.300 0.035 0.000 1.221 250 R HN -0.703 7.540 8.270 0.005 0.031 0.619 251 D N 5.653 126.029 120.400 -0.040 0.000 2.308 251 D HA 0.455 5.142 4.640 -0.283 -0.217 0.251 251 D C -0.132 176.056 176.300 -0.188 0.000 1.127 251 D CA 0.303 54.194 54.000 -0.182 0.000 0.876 251 D CB 0.980 41.733 40.800 -0.079 0.000 1.176 251 D HN 0.236 8.614 8.370 0.013 0.000 0.446 252 T N 1.442 115.797 114.554 -0.332 0.000 2.883 252 T HA 0.346 4.627 4.350 -0.115 0.000 0.284 252 T C -1.941 172.582 174.700 -0.295 0.000 1.041 252 T CA -2.836 59.126 62.100 -0.231 0.000 1.007 252 T CB 1.925 70.664 68.868 -0.215 0.000 1.220 252 T HN 0.548 8.502 8.240 -0.477 0.000 0.552 253 R N -1.960 118.412 120.500 -0.214 0.000 2.850 253 R HA 0.631 4.968 4.340 -0.181 -0.106 0.266 253 R C -3.150 172.883 176.300 -0.447 0.000 1.782 253 R CA -2.743 53.235 56.100 -0.202 0.000 1.310 253 R CB -0.259 30.041 30.300 0.001 0.000 1.337 253 R HN 0.332 8.604 8.270 -0.198 -0.121 0.546 254 P HA -0.083 3.839 4.420 -0.831 0.000 0.267 254 P C -2.107 174.363 177.300 -1.384 0.000 1.200 254 P CA 0.237 62.793 63.100 -0.907 0.000 0.772 254 P CB 0.383 31.841 31.700 -0.402 0.000 0.855 255 H N 2.057 120.438 119.070 -1.147 0.000 3.188 255 H HA 0.188 3.916 4.556 -1.381 0.000 0.325 255 H C -1.856 173.234 175.328 -0.397 0.000 1.033 255 H CA -0.230 55.278 56.048 -0.901 0.000 1.443 255 H CB 2.925 32.325 29.762 -0.603 0.000 1.968 255 H HN -0.442 7.152 8.280 -1.143 0.000 0.449 256 L N 8.781 129.730 121.223 -0.456 0.000 2.295 256 L HA 0.237 4.751 4.340 0.101 -0.113 0.288 256 L C -1.347 175.329 176.870 -0.324 0.000 1.079 256 L CA -0.482 54.267 54.840 -0.150 0.000 0.830 256 L CB 0.845 42.849 42.059 -0.092 0.000 1.200 256 L HN 0.491 8.511 8.230 -0.349 0.000 0.438 257 I N 8.086 128.691 120.570 0.058 0.000 2.598 257 I HA -0.137 4.208 4.170 0.290 0.000 0.284 257 I C 0.817 177.069 176.117 0.224 0.000 1.140 257 I CA 1.574 62.992 61.300 0.197 0.000 1.420 257 I CB -0.633 37.522 38.000 0.260 0.000 1.387 257 I HN 0.735 9.053 8.210 0.180 0.000 0.553 258 G N 5.583 114.478 108.800 0.158 0.000 2.217 258 G HA2 -0.279 3.827 3.960 0.243 0.000 0.246 258 G HA3 -0.279 3.938 3.960 0.428 0.000 0.246 258 G C -0.961 174.124 174.900 0.309 0.000 0.990 258 G CA -0.261 45.034 45.100 0.324 0.000 0.627 258 G HN 0.554 8.907 8.290 0.104 0.000 0.522 259 G N -0.155 108.579 108.800 -0.111 0.000 3.166 259 G HA2 0.374 4.331 3.960 -0.004 0.000 0.267 259 G HA3 0.374 3.927 3.960 -0.678 0.000 0.267 259 G C -3.487 170.869 174.900 -0.907 0.000 1.256 259 G CA -0.564 44.298 45.100 -0.396 0.000 0.859 259 G HN -0.168 7.803 8.290 -0.203 0.198 0.590 260 H N -4.398 114.143 119.070 -0.881 0.000 2.967 260 H HA 0.199 4.692 4.556 -0.105 0.000 0.318 260 H C -0.641 174.347 175.328 -0.567 0.000 1.375 260 H CA -0.118 55.670 56.048 -0.432 0.000 1.132 260 H CB 2.930 32.545 29.762 -0.245 0.000 1.848 260 H HN -0.147 7.183 8.280 -1.584 0.000 0.524 261 G N -0.414 108.106 108.800 -0.466 0.000 2.546 261 G HA2 0.073 3.779 3.960 -0.423 0.000 0.320 261 G HA3 0.073 3.293 3.960 -1.234 0.000 0.320 261 G C -0.440 174.233 174.900 -0.379 0.000 0.984 261 G CA -0.395 44.312 45.100 -0.655 0.000 1.183 261 G HN 0.527 8.569 8.290 -0.413 0.000 0.443 262 D N 7.021 127.357 120.400 -0.106 0.000 2.103 262 D HA -0.242 4.195 4.640 -0.338 0.000 0.190 262 D C 0.125 175.956 176.300 -0.782 0.000 0.997 262 D CA 3.580 57.384 54.000 -0.327 0.000 0.833 262 D CB 0.528 41.292 40.800 -0.060 0.000 0.961 262 D HN -0.218 8.242 8.370 0.149 0.000 0.447 263 Y N -4.632 115.539 120.300 -0.215 0.000 2.361 263 Y HA 0.540 5.014 4.550 -0.465 -0.203 0.337 263 Y C -1.286 174.230 175.900 -0.639 0.000 0.965 263 Y CA -1.366 56.438 58.100 -0.493 0.000 1.091 263 Y CB 3.099 41.187 38.460 -0.621 0.000 1.182 263 Y HN -0.490 7.825 8.280 0.058 0.000 0.450 264 V N 1.881 121.448 119.914 -0.578 0.000 2.419 264 V HA 0.454 4.535 4.120 -0.335 -0.161 0.287 264 V C -0.555 175.318 176.094 -0.368 0.000 1.017 264 V CA -1.083 60.932 62.300 -0.475 0.000 0.844 264 V CB 2.882 34.353 31.823 -0.587 0.000 1.011 264 V HN 0.657 8.530 8.190 -0.529 0.000 0.429 265 W N 7.030 128.318 121.300 -0.021 0.000 2.110 265 W HA 0.102 4.760 4.660 -0.003 0.000 0.450 265 W C 0.331 176.811 176.519 -0.064 0.000 0.893 265 W CA -0.119 57.206 57.345 -0.032 0.000 1.688 265 W CB -1.957 27.464 29.460 -0.064 0.000 1.779 265 W HN 0.495 8.837 8.180 0.271 0.000 0.300 266 A N 5.744 128.619 122.820 0.091 0.000 1.908 266 A HA -0.315 4.073 4.320 0.113 0.000 0.218 266 A C 0.901 178.523 177.584 0.065 0.000 1.181 266 A CA 3.615 55.711 52.037 0.098 0.000 0.627 266 A CB -0.549 18.527 19.000 0.127 0.000 0.818 266 A HN -0.099 8.047 8.150 0.030 0.021 0.445 267 T N -5.301 109.287 114.554 0.056 0.000 3.113 267 T HA -0.214 4.132 4.350 -0.006 0.000 0.263 267 T C 0.869 175.493 174.700 -0.127 0.000 1.143 267 T CA 0.047 62.143 62.100 -0.006 0.000 1.090 267 T CB -0.818 68.064 68.868 0.024 0.000 0.922 267 T HN -0.153 8.132 8.240 0.084 0.006 0.521 268 G N 1.709 110.432 108.800 -0.127 0.000 2.198 268 G HA2 -0.522 3.251 3.960 -0.312 0.000 0.260 268 G HA3 -0.522 3.436 3.960 -0.453 -0.270 0.260 268 G C -1.692 172.840 174.900 -0.614 0.000 1.025 268 G CA 0.881 45.756 45.100 -0.374 0.000 0.769 268 G HN -0.050 8.028 8.290 0.008 0.217 0.507 269 K N -2.418 117.767 120.400 -0.358 0.000 2.463 269 K HA 0.422 4.620 4.320 -0.392 -0.113 0.255 269 K C -0.662 175.824 176.600 -0.189 0.000 0.942 269 K CA -3.264 52.856 56.287 -0.279 0.000 0.814 269 K CB 0.980 33.453 32.500 -0.045 0.000 1.122 269 K HN -0.903 7.241 8.250 -0.137 0.024 0.425 270 F N 3.073 122.955 119.950 -0.115 0.000 2.186 270 F HA -0.260 3.938 4.527 -0.548 0.000 0.299 270 F C 1.527 177.347 175.800 0.034 0.000 1.090 270 F CA 2.576 60.446 58.000 -0.216 0.000 1.307 270 F CB 0.155 39.012 39.000 -0.239 0.000 1.019 270 F HN 0.169 8.156 8.300 -0.346 0.105 0.489 271 N N -2.413 116.431 118.700 0.239 0.000 2.205 271 N HA -0.258 4.586 4.740 0.172 0.000 0.186 271 N C 0.307 175.933 175.510 0.193 0.000 1.015 271 N CA 1.853 55.014 53.050 0.185 0.000 0.862 271 N CB 0.013 38.582 38.487 0.137 0.000 0.986 271 N HN -0.120 8.388 8.380 0.213 0.000 0.429 272 T N 3.584 118.263 114.554 0.207 0.000 2.752 272 T HA 0.197 4.638 4.350 0.151 0.000 0.295 272 T C -2.435 172.436 174.700 0.284 0.000 0.923 272 T CA -1.373 60.846 62.100 0.198 0.000 1.112 272 T CB 0.645 69.608 68.868 0.158 0.000 0.884 272 T HN -0.930 7.405 8.240 0.190 0.019 0.525 273 P HA -0.059 4.503 4.420 0.237 0.000 0.263 273 P C -1.975 175.371 177.300 0.077 0.000 1.168 273 P CA -0.879 62.325 63.100 0.173 0.000 0.759 273 P CB -0.193 31.563 31.700 0.093 0.000 0.782 274 P HA -0.082 4.016 4.420 -0.536 0.000 0.287 274 P C -0.727 176.385 177.300 -0.313 0.000 1.294 274 P CA -0.743 62.012 63.100 -0.574 0.000 0.776 274 P CB 0.893 31.683 31.700 -1.518 0.000 0.889 275 D N 3.685 123.942 120.400 -0.238 0.000 2.341 275 D HA -0.105 4.466 4.640 -0.115 0.000 0.235 275 D C -0.109 176.044 176.300 -0.246 0.000 1.265 275 D CA 1.120 55.017 54.000 -0.171 0.000 0.888 275 D CB 0.777 41.506 40.800 -0.118 0.000 1.192 275 D HN -0.308 7.931 8.370 -0.218 0.000 0.462 276 V N -7.634 112.147 119.914 -0.222 0.000 3.049 276 V HA 0.766 4.845 4.120 -0.474 -0.243 0.309 276 V C -1.180 174.752 176.094 -0.271 0.000 1.148 276 V CA -1.990 60.105 62.300 -0.342 0.000 0.990 276 V CB 4.437 36.061 31.823 -0.331 0.000 1.039 276 V HN -0.230 7.866 8.190 -0.158 0.000 0.430 277 D N -1.784 118.425 120.400 -0.319 0.000 2.718 277 D HA -0.415 4.104 4.640 -0.202 0.000 0.242 277 D C -1.239 175.002 176.300 -0.098 0.000 1.123 277 D CA 1.754 55.636 54.000 -0.197 0.000 0.690 277 D CB -1.649 39.056 40.800 -0.160 0.000 1.059 277 D HN 0.291 8.280 8.370 -0.451 0.110 0.429 278 Q N -1.568 118.157 119.800 -0.125 0.000 2.278 278 Q HA 0.252 4.659 4.340 0.112 0.000 0.257 278 Q C 0.646 176.919 176.000 0.455 0.000 0.928 278 Q CA -1.033 54.808 55.803 0.062 0.000 0.932 278 Q CB 0.838 29.503 28.738 -0.121 0.000 1.221 278 Q HN -0.362 7.753 8.270 -0.259 0.000 0.434 279 E N 1.733 122.237 120.200 0.506 0.000 2.086 279 E HA -0.164 4.437 4.350 0.419 0.000 0.190 279 E C -0.741 176.026 176.600 0.279 0.000 0.975 279 E CA 1.905 58.581 56.400 0.462 0.000 0.813 279 E CB 0.605 30.468 29.700 0.273 0.000 0.768 279 E HN 0.483 9.043 8.360 0.332 0.000 0.457 280 T N -0.684 113.931 114.554 0.102 0.000 3.071 280 T HA 0.421 3.802 4.350 -1.932 -0.191 0.311 280 T C -1.075 173.599 174.700 -0.044 0.000 1.042 280 T CA -0.390 61.302 62.100 -0.680 0.000 1.028 280 T CB 2.262 70.841 68.868 -0.483 0.000 1.068 280 T HN -0.676 7.760 8.240 0.327 0.000 0.451 281 W N 3.682 124.987 121.300 0.008 0.000 2.342 281 W HA 0.218 4.906 4.660 0.047 0.000 0.530 281 W C -1.880 174.724 176.519 0.143 0.000 1.880 281 W CA -2.112 55.261 57.345 0.047 0.000 2.052 281 W CB 0.357 29.827 29.460 0.018 0.000 2.206 281 W HN -0.114 6.756 8.180 -2.184 0.000 0.741 282 F N -0.683 119.376 119.950 0.182 0.000 2.722 282 F HA 0.342 5.007 4.527 -0.029 -0.155 0.336 282 F C -2.431 173.403 175.800 0.056 0.000 1.216 282 F CA -0.427 57.599 58.000 0.043 0.000 1.065 282 F CB 2.608 41.624 39.000 0.026 0.000 1.325 282 F HN -0.078 8.501 8.300 0.465 0.000 0.524 283 I N 6.099 126.299 120.570 -0.617 0.000 2.382 283 I HA 0.578 4.605 4.170 -0.238 0.000 0.286 283 I C -2.375 173.348 176.117 -0.657 0.000 1.002 283 I CA -3.564 57.478 61.300 -0.429 0.000 1.135 283 I CB 3.086 40.955 38.000 -0.218 0.000 1.288 283 I HN 0.047 7.816 8.210 -0.736 0.000 0.448 284 P HA -0.009 4.286 4.420 -0.409 -0.120 0.276 284 P C 0.213 177.423 177.300 -0.150 0.000 1.235 284 P CA -1.218 61.714 63.100 -0.279 0.000 0.772 284 P CB -0.081 31.610 31.700 -0.016 0.000 0.871 285 G N 2.073 110.812 108.800 -0.102 0.000 2.341 285 G HA2 -0.428 3.738 3.960 -0.052 0.000 0.231 285 G HA3 -0.428 3.562 3.960 -0.008 -0.034 0.231 285 G C 0.458 175.344 174.900 -0.024 0.000 1.206 285 G CA 0.619 45.693 45.100 -0.042 0.000 0.865 285 G HN 0.846 10.013 8.290 -0.103 -0.939 0.515 286 G N 3.032 111.816 108.800 -0.027 0.000 2.182 286 G HA2 -0.482 3.466 3.960 -0.021 0.000 0.248 286 G HA3 -0.482 3.497 3.960 0.032 0.000 0.248 286 G C -1.738 173.044 174.900 -0.197 0.000 1.042 286 G CA -0.102 44.969 45.100 -0.048 0.000 0.775 286 G HN 0.165 8.342 8.290 -0.023 0.099 0.501 287 A N -2.915 119.800 122.820 -0.175 0.000 2.594 287 A HA 0.348 4.492 4.320 -0.294 0.000 0.296 287 A C -2.892 174.597 177.584 -0.157 0.000 1.061 287 A CA -0.187 51.727 52.037 -0.205 0.000 0.689 287 A CB 2.670 21.584 19.000 -0.144 0.000 1.280 287 A HN -0.670 7.406 8.150 -0.123 0.000 0.406 288 A N 1.070 123.773 122.820 -0.194 0.000 2.342 288 A HA 0.972 5.409 4.320 -0.014 -0.125 0.323 288 A C -1.150 176.345 177.584 -0.149 0.000 1.125 288 A CA -1.854 50.115 52.037 -0.113 0.000 0.785 288 A CB 2.865 21.794 19.000 -0.120 0.000 1.221 288 A HN 0.445 8.428 8.150 -0.279 0.000 0.463 289 G N -0.068 108.714 108.800 -0.030 0.000 3.107 289 G HA2 0.908 4.876 3.960 -0.104 0.000 0.232 289 G HA3 0.908 4.895 3.960 0.046 0.000 0.232 289 G C -2.720 172.211 174.900 0.052 0.000 1.339 289 G CA -1.899 43.194 45.100 -0.013 0.000 1.033 289 G HN 0.261 8.586 8.290 0.057 0.000 0.567 290 A N -3.293 119.610 122.820 0.137 0.000 2.540 290 A HA 0.524 5.104 4.320 0.167 -0.160 0.297 290 A C -2.974 174.774 177.584 0.273 0.000 1.056 290 A CA -0.270 51.894 52.037 0.211 0.000 0.700 290 A CB 3.051 22.173 19.000 0.204 0.000 1.280 290 A HN -0.380 7.866 8.150 0.161 0.000 0.398 291 A N 2.311 125.235 122.820 0.173 0.000 2.374 291 A HA 0.909 5.378 4.320 -0.031 -0.168 0.305 291 A C -2.712 174.977 177.584 0.175 0.000 1.053 291 A CA -1.803 50.245 52.037 0.018 0.000 0.726 291 A CB 3.337 22.166 19.000 -0.284 0.000 1.229 291 A HN 0.021 8.267 8.150 0.160 0.000 0.431 292 F N 6.202 126.199 119.950 0.077 0.000 2.482 292 F HA 0.981 5.800 4.527 0.151 -0.202 0.331 292 F C -2.617 173.264 175.800 0.135 0.000 1.115 292 F CA -3.412 54.688 58.000 0.168 0.000 0.955 292 F CB 3.834 43.020 39.000 0.310 0.000 1.136 292 F HN 0.627 9.084 8.300 0.261 0.000 0.452 293 Y N 8.032 128.091 120.300 -0.402 0.000 2.513 293 Y HA 0.417 5.242 4.550 0.154 -0.183 0.340 293 Y C -2.436 173.179 175.900 -0.474 0.000 1.055 293 Y CA -1.249 56.704 58.100 -0.246 0.000 1.020 293 Y CB 4.173 42.396 38.460 -0.394 0.000 1.301 293 Y HN 0.442 8.284 8.280 -0.731 0.000 0.453 294 T N 9.591 123.468 114.554 -1.128 0.000 2.733 294 T HA 0.368 4.618 4.350 -0.509 -0.206 0.294 294 T C -0.592 173.372 174.700 -1.227 0.000 0.956 294 T CA 0.066 61.687 62.100 -0.799 0.000 0.987 294 T CB 0.459 69.160 68.868 -0.278 0.000 0.920 294 T HN 0.028 7.953 8.240 -1.022 -0.298 0.470 295 F N 6.353 125.963 119.950 -0.567 0.000 2.529 295 F HA -0.087 4.430 4.527 -0.016 0.000 0.365 295 F C 0.574 176.261 175.800 -0.190 0.000 1.102 295 F CA 1.677 59.530 58.000 -0.245 0.000 1.271 295 F CB 0.529 39.462 39.000 -0.112 0.000 1.120 295 F HN 0.050 8.286 8.300 -0.106 0.000 0.579 296 Q N 1.910 121.754 119.800 0.074 0.000 2.211 296 Q HA 0.099 4.428 4.340 -0.018 0.000 0.242 296 Q C -1.082 174.901 176.000 -0.028 0.000 0.825 296 Q CA 0.383 56.186 55.803 -0.000 0.000 0.951 296 Q CB 2.289 31.011 28.738 -0.028 0.000 1.130 296 Q HN 0.434 8.809 8.270 0.175 0.000 0.496 297 Q N -2.717 117.101 119.800 0.030 0.000 2.372 297 Q HA 0.566 4.823 4.340 -0.139 0.000 0.273 297 Q C -2.387 173.724 176.000 0.185 0.000 1.078 297 Q CA -3.000 52.786 55.803 -0.029 0.000 0.806 297 Q CB 2.511 31.134 28.738 -0.192 0.000 1.332 297 Q HN -0.500 7.847 8.270 0.127 0.000 0.435 298 P HA -0.057 4.476 4.420 0.189 0.000 0.284 298 P C -1.007 176.605 177.300 0.520 0.000 1.258 298 P CA -0.866 62.421 63.100 0.311 0.000 0.824 298 P CB 0.947 32.799 31.700 0.253 0.000 1.038 299 G N -0.279 108.796 108.800 0.457 0.000 2.325 299 G HA2 -0.158 3.968 3.960 0.276 0.000 0.285 299 G HA3 -0.158 4.084 3.960 0.470 0.000 0.285 299 G C -3.016 172.171 174.900 0.479 0.000 1.303 299 G CA -0.405 44.957 45.100 0.437 0.000 0.970 299 G HN -0.132 8.240 8.290 0.315 0.108 0.490 300 I N 0.565 121.305 120.570 0.284 0.000 2.336 300 I HA 0.399 4.979 4.170 0.391 -0.175 0.292 300 I C -0.641 175.622 176.117 0.243 0.000 0.991 300 I CA -0.247 61.228 61.300 0.293 0.000 1.227 300 I CB 1.392 39.461 38.000 0.114 0.000 1.366 300 I HN 0.014 8.306 8.210 0.138 0.000 0.466 301 Y N 6.736 127.182 120.300 0.243 0.000 2.409 301 Y HA 0.318 5.002 4.550 0.222 0.000 0.343 301 Y C -1.505 174.615 175.900 0.365 0.000 0.973 301 Y CA -1.633 56.632 58.100 0.275 0.000 1.064 301 Y CB 3.407 42.053 38.460 0.309 0.000 1.207 301 Y HN 0.677 9.394 8.280 0.728 0.000 0.452 302 A N 3.173 126.259 122.820 0.444 0.000 2.306 302 A HA 0.471 5.446 4.320 0.820 -0.163 0.314 302 A C -2.336 175.539 177.584 0.485 0.000 1.164 302 A CA -1.820 50.556 52.037 0.565 0.000 0.822 302 A CB 2.254 21.517 19.000 0.438 0.000 1.130 302 A HN 0.551 8.891 8.150 0.317 0.000 0.496 303 Y N 5.063 125.579 120.300 0.360 0.000 2.326 303 Y HA 0.750 5.559 4.550 0.129 -0.182 0.329 303 Y C -2.054 173.940 175.900 0.157 0.000 0.973 303 Y CA -1.687 56.528 58.100 0.192 0.000 1.162 303 Y CB 2.294 40.841 38.460 0.145 0.000 1.147 303 Y HN 0.032 8.589 8.280 0.640 0.107 0.456 304 V N 1.929 121.558 119.914 -0.475 0.000 3.253 304 V HA 0.503 4.591 4.120 -0.053 0.000 0.300 304 V C -2.881 173.024 176.094 -0.315 0.000 1.398 304 V CA -3.148 59.017 62.300 -0.226 0.000 1.067 304 V CB 3.895 35.694 31.823 -0.040 0.000 1.102 304 V HN 0.059 7.975 8.190 -0.457 0.000 0.455 305 N N 0.217 118.894 118.700 -0.039 0.000 2.447 305 N HA -0.306 4.452 4.740 -0.215 -0.147 0.263 305 N C 0.042 175.471 175.510 -0.136 0.000 1.226 305 N CA 0.527 53.520 53.050 -0.096 0.000 0.906 305 N CB 0.007 38.516 38.487 0.036 0.000 1.060 305 N HN -0.214 8.347 8.380 0.301 0.000 0.468 306 H N 6.330 125.253 119.070 -0.245 0.000 2.319 306 H HA -0.358 4.045 4.556 -0.254 0.000 0.299 306 H C 0.647 175.889 175.328 -0.142 0.000 1.092 306 H CA 3.025 58.935 56.048 -0.229 0.000 1.302 306 H CB 0.811 30.415 29.762 -0.263 0.000 1.373 306 H HN 0.380 8.494 8.280 -0.101 0.106 0.497 307 N N -0.136 118.532 118.700 -0.053 0.000 1.998 307 N HA -0.252 4.461 4.740 -0.046 0.000 0.276 307 N C 1.346 176.776 175.510 -0.134 0.000 1.364 307 N CA 0.979 53.986 53.050 -0.072 0.000 1.034 307 N CB -0.664 37.797 38.487 -0.043 0.000 1.454 307 N HN -0.480 8.082 8.380 -0.002 -0.183 0.476 308 L N 2.588 123.708 121.223 -0.171 0.000 2.051 308 L HA -0.430 3.837 4.340 -0.110 0.007 0.214 308 L C 2.099 178.986 176.870 0.028 0.000 1.076 308 L CA 3.133 57.930 54.840 -0.071 0.000 0.758 308 L CB -0.107 41.930 42.059 -0.037 0.000 0.890 308 L HN 0.392 8.522 8.230 -0.203 -0.021 0.433 309 I N -2.912 117.653 120.570 -0.008 0.000 2.142 309 I HA -0.591 3.602 4.170 0.037 0.000 0.240 309 I C 1.627 177.719 176.117 -0.042 0.000 1.078 309 I CA 3.676 64.975 61.300 -0.002 0.000 1.343 309 I CB -0.428 37.560 38.000 -0.021 0.000 1.046 309 I HN -0.101 8.083 8.210 -0.032 0.007 0.405 310 E N -1.078 119.076 120.200 -0.077 0.000 2.153 310 E HA -0.452 3.826 4.350 -0.120 0.000 0.194 310 E C 2.295 178.786 176.600 -0.182 0.000 0.988 310 E CA 3.064 59.392 56.400 -0.119 0.000 0.811 310 E CB -0.447 29.192 29.700 -0.102 0.000 0.746 310 E HN -0.629 7.800 8.360 -0.068 -0.110 0.466 311 A N -2.240 120.445 122.820 -0.225 0.000 2.021 311 A HA -0.078 4.142 4.320 -0.352 -0.111 0.216 311 A C 0.831 178.087 177.584 -0.547 0.000 1.163 311 A CA 2.323 54.113 52.037 -0.411 0.000 0.676 311 A CB 0.163 18.837 19.000 -0.544 0.000 0.818 311 A HN 0.290 8.117 8.150 -0.185 0.212 0.453 312 F N -4.567 115.342 119.950 -0.068 0.000 2.592 312 F HA 0.090 4.606 4.527 -0.017 0.000 0.280 312 F C 1.240 177.010 175.800 -0.050 0.000 1.083 312 F CA 1.898 59.872 58.000 -0.043 0.000 1.365 312 F CB 1.451 40.424 39.000 -0.045 0.000 1.100 312 F HN -0.016 8.267 8.300 -0.027 0.000 0.633 313 E N -1.343 118.922 120.200 0.107 0.000 2.250 313 E HA -0.049 4.331 4.350 0.049 0.000 0.192 313 E C 0.880 177.453 176.600 -0.045 0.000 0.986 313 E CA 1.785 58.202 56.400 0.029 0.000 0.849 313 E CB 0.784 30.489 29.700 0.007 0.000 0.797 313 E HN -0.169 8.154 8.360 0.097 0.095 0.482 314 L N -3.935 117.234 121.223 -0.090 0.000 2.200 314 L HA 0.127 4.347 4.340 -0.199 0.000 0.200 314 L C 1.117 177.913 176.870 -0.123 0.000 1.072 314 L CA 1.027 55.777 54.840 -0.150 0.000 0.787 314 L CB 1.167 43.124 42.059 -0.171 0.000 0.957 314 L HN -0.387 7.791 8.230 -0.086 0.000 0.459 315 G N -5.353 103.346 108.800 -0.168 0.000 2.207 315 G HA2 -0.146 3.726 3.960 -0.147 0.000 0.193 315 G HA3 -0.146 3.726 3.960 -0.146 0.000 0.193 315 G C -1.427 173.209 174.900 -0.440 0.000 1.050 315 G CA -0.365 44.613 45.100 -0.204 0.000 0.780 315 G HN -0.680 7.497 8.290 -0.188 0.000 0.504 316 A N 0.092 122.595 122.820 -0.529 0.000 3.175 316 A HA 0.397 3.505 4.320 -2.020 0.000 0.289 316 A C -2.588 174.798 177.584 -0.330 0.000 1.429 316 A CA -1.240 50.183 52.037 -1.023 0.000 1.155 316 A CB -0.734 17.906 19.000 -0.600 0.000 1.169 316 A HN -0.081 7.842 8.150 -0.378 0.000 0.574 317 A N 0.097 122.812 122.820 -0.174 0.000 2.456 317 A HA 0.487 5.106 4.320 0.270 -0.137 0.288 317 A C -2.476 175.100 177.584 -0.013 0.000 1.042 317 A CA -0.391 51.684 52.037 0.063 0.000 0.738 317 A CB 2.723 21.617 19.000 -0.176 0.000 1.266 317 A HN -0.686 7.216 8.150 -0.337 0.045 0.407 318 A N 3.354 126.239 122.820 0.109 0.000 2.373 318 A HA 0.382 4.421 4.320 -0.468 0.000 0.291 318 A C -2.261 175.156 177.584 -0.280 0.000 1.171 318 A CA -1.387 50.532 52.037 -0.196 0.000 0.922 318 A CB 2.855 21.905 19.000 0.083 0.000 1.400 318 A HN 0.370 8.734 8.150 0.356 0.000 0.474 319 H N -3.661 115.486 119.070 0.128 0.000 2.947 319 H HA 0.611 5.586 4.556 0.431 -0.161 0.354 319 H C -1.274 174.096 175.328 0.070 0.000 1.085 319 H CA -1.637 54.547 56.048 0.228 0.000 1.253 319 H CB 3.549 33.400 29.762 0.148 0.000 1.757 319 H HN -0.103 8.021 8.280 -0.261 0.000 0.523 320 F N 1.824 121.907 119.950 0.223 0.000 2.415 320 F HA 0.285 4.953 4.527 -0.029 -0.159 0.348 320 F C -0.612 175.238 175.800 0.083 0.000 1.119 320 F CA -1.726 56.313 58.000 0.064 0.000 1.069 320 F CB 1.692 40.709 39.000 0.029 0.000 1.124 320 F HN 1.050 9.812 8.300 0.939 0.101 0.472 321 K N 3.629 124.101 120.400 0.121 0.000 2.211 321 K HA 0.378 4.941 4.320 0.184 -0.132 0.275 321 K C -1.425 175.184 176.600 0.014 0.000 1.024 321 K CA -0.370 55.979 56.287 0.104 0.000 0.887 321 K CB 1.454 33.992 32.500 0.063 0.000 1.084 321 K HN 0.348 8.606 8.250 0.013 0.000 0.463 322 V N 4.985 124.911 119.914 0.020 0.000 2.604 322 V HA 1.137 5.377 4.120 -0.159 -0.215 0.305 322 V C 0.286 176.388 176.094 0.014 0.000 1.043 322 V CA -3.324 58.913 62.300 -0.104 0.000 0.888 322 V CB 2.742 34.377 31.823 -0.312 0.000 0.995 322 V HN 0.535 8.804 8.190 0.133 0.000 0.429 323 T N 2.466 117.020 114.554 0.000 0.000 2.945 323 T HA 0.428 4.825 4.350 0.078 0.000 0.286 323 T C -1.071 173.661 174.700 0.054 0.000 1.025 323 T CA -2.386 59.743 62.100 0.048 0.000 1.039 323 T CB 2.360 71.252 68.868 0.039 0.000 1.068 323 T HN 0.235 8.451 8.240 -0.040 0.000 0.497 324 G N -0.542 108.305 108.800 0.080 0.000 2.339 324 G HA2 -0.152 3.847 3.960 0.064 0.000 0.275 324 G HA3 -0.152 3.851 3.960 0.072 0.000 0.275 324 G C -2.597 172.372 174.900 0.114 0.000 1.323 324 G CA -0.393 44.755 45.100 0.080 0.000 0.927 324 G HN -0.386 7.958 8.290 0.089 0.000 0.486 325 E N 0.258 120.525 120.200 0.110 0.000 2.195 325 E HA 0.288 4.741 4.350 0.172 0.000 0.271 325 E C -0.699 176.014 176.600 0.189 0.000 0.923 325 E CA -1.787 54.702 56.400 0.148 0.000 0.790 325 E CB 1.749 31.513 29.700 0.107 0.000 1.155 325 E HN 0.023 8.432 8.360 0.082 0.000 0.402 326 W N 5.478 126.823 121.300 0.075 0.000 2.170 326 W HA -0.074 4.757 4.660 0.112 -0.104 0.336 326 W C -1.245 175.321 176.519 0.077 0.000 1.283 326 W CA 0.045 57.443 57.345 0.089 0.000 1.224 326 W CB 0.962 30.471 29.460 0.082 0.000 1.132 326 W HN 0.243 8.655 8.180 0.386 0.000 0.571 327 N N 6.321 124.620 118.700 -0.668 0.000 2.518 327 N HA 0.246 4.949 4.740 -0.060 0.000 0.254 327 N C -0.684 174.671 175.510 -0.258 0.000 0.979 327 N CA -1.545 51.315 53.050 -0.317 0.000 0.930 327 N CB 1.843 40.158 38.487 -0.287 0.000 1.152 327 N HN 0.645 8.611 8.380 -1.495 -0.483 0.505 328 D N 7.477 127.975 120.400 0.163 0.000 2.144 328 D HA -0.214 5.016 4.640 0.627 -0.214 0.200 328 D C 1.019 177.410 176.300 0.153 0.000 0.978 328 D CA 2.934 57.126 54.000 0.320 0.000 0.833 328 D CB 0.137 41.098 40.800 0.269 0.000 0.961 328 D HN 0.480 8.970 8.370 0.199 0.000 0.470 329 D N -0.820 119.622 120.400 0.071 0.000 2.154 329 D HA -0.254 4.418 4.640 0.055 0.000 0.190 329 D C 1.796 178.114 176.300 0.029 0.000 1.003 329 D CA 2.455 56.479 54.000 0.041 0.000 0.849 329 D CB 0.035 40.843 40.800 0.013 0.000 0.942 329 D HN -0.394 8.115 8.370 0.061 -0.103 0.446 330 L N -2.909 118.302 121.223 -0.020 0.000 2.056 330 L HA -0.247 4.087 4.340 -0.010 0.000 0.207 330 L C 0.782 177.681 176.870 0.049 0.000 1.078 330 L CA 1.407 56.230 54.840 -0.027 0.000 0.749 330 L CB 0.799 42.786 42.059 -0.121 0.000 0.901 330 L HN -0.778 7.609 8.230 -0.064 -0.195 0.433 331 M N -4.205 115.473 119.600 0.129 0.000 2.333 331 M HA 0.189 4.795 4.480 0.209 0.000 0.286 331 M C -2.470 174.122 176.300 0.487 0.000 1.113 331 M CA 0.508 55.986 55.300 0.297 0.000 0.959 331 M CB 3.014 35.842 32.600 0.379 0.000 1.776 331 M HN -0.645 7.626 8.290 0.090 0.072 0.492 332 T N 2.664 117.402 114.554 0.308 0.000 2.993 332 T HA 0.261 4.778 4.350 0.278 0.000 0.312 332 T C -0.764 174.004 174.700 0.112 0.000 1.115 332 T CA -0.367 61.874 62.100 0.236 0.000 1.027 332 T CB 1.593 70.578 68.868 0.194 0.000 1.116 332 T HN 0.042 8.415 8.240 0.222 0.000 0.464 333 S N 7.457 123.178 115.700 0.037 0.000 2.494 333 S HA 0.078 4.564 4.470 0.027 0.000 0.312 333 S C 0.855 175.462 174.600 0.011 0.000 1.121 333 S CA -0.355 57.850 58.200 0.008 0.000 1.068 333 S CB -0.550 62.625 63.200 -0.042 0.000 1.141 333 S HN 0.402 8.706 8.310 -0.010 0.000 0.527 334 V N 6.091 126.021 119.914 0.026 0.000 2.287 334 V HA -0.272 3.863 4.120 0.025 0.000 0.248 334 V C 0.115 176.215 176.094 0.009 0.000 1.053 334 V CA 1.722 64.035 62.300 0.022 0.000 1.027 334 V CB 0.175 32.014 31.823 0.027 0.000 0.646 334 V HN 0.060 8.271 8.190 0.036 0.000 0.447 335 L N -0.731 120.495 121.223 0.005 0.000 2.377 335 L HA 0.122 4.460 4.340 -0.003 0.000 0.270 335 L C -1.546 175.319 176.870 -0.009 0.000 0.991 335 L CA -0.628 54.211 54.840 -0.002 0.000 0.851 335 L CB 0.362 42.422 42.059 0.001 0.000 1.218 335 L HN -0.680 7.555 8.230 0.009 0.000 0.420 336 A N 6.639 129.449 122.820 -0.017 0.000 2.466 336 A HA 0.239 4.541 4.320 -0.029 0.000 0.238 336 A C -1.931 175.641 177.584 -0.021 0.000 1.074 336 A CA -1.806 50.215 52.037 -0.026 0.000 0.774 336 A CB -0.659 18.320 19.000 -0.034 0.000 1.015 336 A HN 0.081 8.220 8.150 -0.017 0.000 0.498 337 P HA -0.089 4.321 4.420 -0.016 0.000 0.256 337 P C -1.300 175.990 177.300 -0.018 0.000 1.173 337 P CA 0.849 63.937 63.100 -0.020 0.000 0.768 337 P CB -0.580 31.106 31.700 -0.024 0.000 0.758 338 S N 2.933 118.625 115.700 -0.014 0.000 2.998 338 S HA 0.303 4.764 4.470 -0.014 0.000 0.321 338 S C -0.190 174.404 174.600 -0.011 0.000 1.171 338 S CA -0.641 57.551 58.200 -0.013 0.000 0.882 338 S CB 1.175 64.369 63.200 -0.011 0.000 1.301 338 S HN -0.087 8.215 8.310 -0.013 0.000 0.629 339 G N 0.000 108.794 108.800 -0.010 0.000 5.446 339 G HA2 0.000 nan 3.960 nan 0.000 0.244 339 G HA3 0.000 3.955 3.960 -0.008 0.000 0.244 339 G CA 0.000 45.095 45.100 -0.009 0.000 0.502 339 G HN 0.000 8.284 8.290 -0.009 0.000 0.925