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 1o8k_1_A DATA FIRST_RESID 1 DATA SEQUENCE ATDTGGYAAT AGGNVTGAVS KTATSMQDIV NIIDAARLDA NGKKVKGGAY DATA SEQUENCE PLVITYTGNE DSLINAAAAN IcGQWSKDPR GVEIKEFTKG ITIIGANGSS DATA SEQUENCE ANFGIWIKKS SDVVVQNMRI GYLPGGAKDG DMIRVDDSPN VWVDHNELFA DATA SEQUENCE ANHEcDGTPD NDTTFESAVD IKGASNTVTV SYNYIHGVKK VGLDGSSSSD DATA SEQUENCE TGRNITYHHN YYNDVNARLP LQRGGLVHAY NNLYTNITGS GLNVRQNGQA DATA SEQUENCE LIENNWFEKA INPVTSRYDG KNFGTWVLKG NNITKPADFS TYSITWTADT DATA SEQUENCE KPYVNADSWT STGTFPTVAY NYSPVSAQcV KDKLPGYAGV GKNLATLTST DATA SEQUENCE AcK 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 1 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 1 A C 0.000 177.603 177.584 0.031 0.000 1.274 1 A CA 0.000 52.064 52.037 0.045 0.000 0.836 1 A CB 0.000 19.025 19.000 0.041 0.000 0.831 2 T N -1.572 112.980 114.554 -0.003 0.000 3.040 2 T HA 0.345 4.708 4.350 0.022 0.000 0.266 2 T C -0.055 174.568 174.700 -0.128 0.000 1.005 2 T CA 0.758 62.834 62.100 -0.041 0.000 0.906 2 T CB -0.093 68.769 68.868 -0.011 0.000 1.082 2 T HN 0.285 8.525 8.240 -0.000 0.000 0.531 3 D N 2.491 122.817 120.400 -0.123 0.000 2.325 3 D HA 0.289 4.942 4.640 0.022 0.000 0.251 3 D C 1.290 177.376 176.300 -0.358 0.000 1.196 3 D CA 0.178 54.082 54.000 -0.161 0.000 0.866 3 D CB 1.384 42.156 40.800 -0.047 0.000 1.101 3 D HN 0.273 8.643 8.370 -0.000 0.000 0.476 4 T N 0.509 114.752 114.554 -0.519 0.000 3.044 4 T HA 0.325 4.688 4.350 0.022 0.000 0.260 4 T C 1.495 176.066 174.700 -0.215 0.000 1.019 4 T CA 0.200 61.764 62.100 -0.893 0.000 0.921 4 T CB 0.227 68.228 68.868 -1.444 0.000 1.053 4 T HN 0.654 8.894 8.240 -0.000 0.000 0.533 5 G N 0.022 108.752 108.800 -0.117 0.000 2.143 5 G HA2 0.147 4.120 3.960 0.022 0.000 0.249 5 G HA3 0.147 4.120 3.960 0.022 0.000 0.249 5 G C 0.394 175.138 174.900 -0.260 0.000 0.981 5 G CA -0.190 44.900 45.100 -0.018 0.000 0.665 5 G HN 1.280 9.570 8.290 -0.000 0.000 0.528 6 G N -2.429 105.997 108.800 -0.623 0.000 2.706 6 G HA2 0.566 4.539 3.960 0.022 0.000 0.307 6 G HA3 0.566 4.539 3.960 0.022 0.000 0.307 6 G C 0.291 174.465 174.900 -1.210 0.000 1.307 6 G CA 0.124 44.546 45.100 -1.131 0.000 0.790 6 G HN 0.111 8.401 8.290 -0.000 0.000 0.503 7 Y N 0.563 120.492 120.300 -0.618 0.000 2.274 7 Y HA 0.198 4.761 4.550 0.021 0.000 0.290 7 Y C 2.324 178.145 175.900 -0.132 0.000 1.145 7 Y CA 1.154 59.143 58.100 -0.185 0.000 1.203 7 Y CB -0.279 38.206 38.460 0.042 0.000 0.984 7 Y HN 0.503 8.783 8.280 -0.000 0.000 0.533 8 A N 0.578 123.380 122.820 -0.030 0.000 2.450 8 A HA 0.604 4.937 4.320 0.022 0.000 0.255 8 A C 0.063 177.567 177.584 -0.133 0.000 1.096 8 A CA 0.112 52.123 52.037 -0.044 0.000 0.778 8 A CB -0.201 18.778 19.000 -0.035 0.000 1.031 8 A HN 0.288 8.438 8.150 -0.000 0.000 0.494 9 A N 2.659 125.443 122.820 -0.061 0.000 2.483 9 A HA 0.678 5.011 4.320 0.022 0.000 0.308 9 A C -0.141 177.423 177.584 -0.033 0.000 1.291 9 A CA -0.011 51.981 52.037 -0.076 0.000 0.774 9 A CB 0.677 19.667 19.000 -0.018 0.000 1.134 9 A HN 1.291 9.441 8.150 -0.000 0.000 0.471 10 T N 0.316 114.840 114.554 -0.050 0.000 2.885 10 T HA 0.569 4.932 4.350 0.022 0.000 0.322 10 T C 0.178 174.925 174.700 0.078 0.000 1.387 10 T CA 0.518 62.640 62.100 0.038 0.000 1.041 10 T CB 1.506 70.429 68.868 0.093 0.000 1.287 10 T HN 1.241 9.481 8.240 -0.000 0.000 0.491 11 A N 1.846 124.732 122.820 0.110 0.000 2.431 11 A HA 0.696 5.029 4.320 0.022 0.000 0.239 11 A C 1.544 179.230 177.584 0.170 0.000 1.230 11 A CA 1.059 53.184 52.037 0.147 0.000 0.928 11 A CB -0.920 18.144 19.000 0.106 0.000 1.006 11 A HN 1.995 10.145 8.150 -0.000 0.000 0.520 12 G N -0.027 108.872 108.800 0.166 0.000 2.591 12 G HA2 -0.200 3.773 3.960 0.022 0.000 0.298 12 G HA3 -0.200 3.773 3.960 0.022 0.000 0.298 12 G C 1.256 176.239 174.900 0.138 0.000 1.195 12 G CA 0.315 45.510 45.100 0.158 0.000 0.989 12 G HN 1.337 9.627 8.290 -0.000 0.000 0.551 13 G N 0.205 109.081 108.800 0.127 0.000 2.880 13 G HA2 0.159 4.132 3.960 0.022 0.000 0.209 13 G HA3 0.159 4.132 3.960 0.022 0.000 0.209 13 G C 0.762 175.729 174.900 0.112 0.000 1.157 13 G CA 0.726 45.901 45.100 0.126 0.000 0.779 13 G HN 0.588 8.878 8.290 -0.000 0.000 0.539 14 N N 1.421 120.184 118.700 0.106 0.000 3.178 14 N HA 0.191 4.944 4.740 0.022 0.000 0.300 14 N C 0.140 175.702 175.510 0.086 0.000 1.242 14 N CA 0.165 53.270 53.050 0.092 0.000 1.192 14 N CB 0.852 39.395 38.487 0.093 0.000 1.463 14 N HN 0.268 8.648 8.380 -0.000 0.000 0.539 15 V N -2.285 117.680 119.914 0.086 0.000 3.165 15 V HA 0.526 4.659 4.120 0.022 0.000 0.307 15 V C 0.632 176.766 176.094 0.068 0.000 1.281 15 V CA -0.837 61.508 62.300 0.076 0.000 1.056 15 V CB 0.811 32.682 31.823 0.081 0.000 1.178 15 V HN 0.017 8.207 8.190 -0.000 0.000 0.475 16 T N 1.353 115.943 114.554 0.060 0.000 2.870 16 T HA 0.508 4.871 4.350 0.022 0.000 0.300 16 T C 1.052 175.787 174.700 0.059 0.000 0.989 16 T CA 1.101 63.231 62.100 0.051 0.000 1.139 16 T CB 0.261 69.154 68.868 0.042 0.000 0.920 16 T HN 2.127 10.367 8.240 -0.000 0.000 0.537 17 G N 2.153 110.983 108.800 0.050 0.000 2.162 17 G HA2 -0.110 3.863 3.960 0.022 0.000 0.260 17 G HA3 -0.110 3.863 3.960 0.022 0.000 0.260 17 G C 0.334 175.278 174.900 0.073 0.000 0.976 17 G CA -0.125 45.005 45.100 0.050 0.000 0.655 17 G HN 1.203 9.493 8.290 -0.000 0.000 0.533 18 A N -0.559 122.312 122.820 0.086 0.000 2.531 18 A HA 0.553 4.886 4.320 0.022 0.000 0.236 18 A C 0.560 178.198 177.584 0.090 0.000 1.062 18 A CA 0.791 52.898 52.037 0.117 0.000 0.760 18 A CB 0.734 19.795 19.000 0.102 0.000 0.995 18 A HN 1.222 9.372 8.150 -0.000 0.000 0.501 19 V N 2.963 122.959 119.914 0.137 0.000 2.384 19 V HA 0.298 4.432 4.120 0.022 0.000 0.287 19 V C 0.333 176.486 176.094 0.100 0.000 1.020 19 V CA -0.384 61.961 62.300 0.075 0.000 0.850 19 V CB 1.437 33.272 31.823 0.021 0.000 0.987 19 V HN 0.879 9.069 8.190 -0.000 0.000 0.436 20 S N 5.620 121.353 115.700 0.055 0.000 2.489 20 S HA 0.547 5.030 4.470 0.022 0.000 0.277 20 S C -0.170 174.458 174.600 0.047 0.000 1.230 20 S CA -0.661 57.569 58.200 0.051 0.000 1.053 20 S CB 0.546 63.765 63.200 0.032 0.000 0.955 20 S HN 0.554 8.864 8.310 -0.000 0.000 0.488 21 K N 1.937 122.367 120.400 0.051 0.000 2.426 21 K HA 0.495 4.828 4.320 0.022 0.000 0.251 21 K C -0.790 175.832 176.600 0.036 0.000 0.941 21 K CA -0.650 55.664 56.287 0.045 0.000 0.808 21 K CB 2.069 34.605 32.500 0.059 0.000 1.265 21 K HN 0.426 8.676 8.250 -0.000 0.000 0.432 22 T N 1.083 115.654 114.554 0.027 0.000 2.771 22 T HA 0.556 4.919 4.350 0.022 0.000 0.281 22 T C -0.626 174.091 174.700 0.029 0.000 0.982 22 T CA -0.579 61.534 62.100 0.022 0.000 0.978 22 T CB 1.228 70.098 68.868 0.003 0.000 0.930 22 T HN 0.557 8.797 8.240 -0.000 0.000 0.447 23 A N 2.258 125.111 122.820 0.055 0.000 2.303 23 A HA 0.600 4.934 4.320 0.022 0.000 0.320 23 A C 1.154 178.772 177.584 0.057 0.000 1.192 23 A CA -0.709 51.379 52.037 0.086 0.000 0.821 23 A CB 0.590 19.686 19.000 0.159 0.000 1.188 23 A HN 0.866 9.016 8.150 -0.000 0.000 0.492 24 T N -1.260 113.304 114.554 0.018 0.000 3.069 24 T HA 0.377 4.740 4.350 0.022 0.000 0.252 24 T C 0.576 175.279 174.700 0.005 0.000 1.053 24 T CA 0.659 62.726 62.100 -0.055 0.000 0.964 24 T CB -0.573 68.267 68.868 -0.047 0.000 1.005 24 T HN 1.468 9.708 8.240 -0.000 0.000 0.532 25 S N -0.529 115.248 115.700 0.129 0.000 2.643 25 S HA 0.488 4.972 4.470 0.022 0.000 0.270 25 S C 0.738 175.400 174.600 0.104 0.000 1.166 25 S CA -0.711 57.592 58.200 0.171 0.000 0.815 25 S CB 1.187 64.412 63.200 0.043 0.000 1.139 25 S HN 0.065 8.375 8.310 -0.000 0.000 0.472 26 M N 0.455 119.972 119.600 -0.139 0.000 2.086 26 M HA -0.121 4.372 4.480 0.022 0.000 0.261 26 M C 2.122 178.203 176.300 -0.364 0.000 1.067 26 M CA 2.257 57.179 55.300 -0.630 0.000 1.116 26 M CB -0.499 31.471 32.600 -1.049 0.000 1.348 26 M HN 0.905 9.195 8.290 -0.000 0.000 0.407 27 Q N 0.870 120.539 119.800 -0.219 0.000 2.124 27 Q HA -0.201 4.152 4.340 0.022 0.000 0.202 27 Q C 1.309 177.251 176.000 -0.097 0.000 0.977 27 Q CA 2.230 57.946 55.803 -0.144 0.000 0.850 27 Q CB -0.395 28.287 28.738 -0.094 0.000 0.901 27 Q HN 0.543 8.813 8.270 -0.000 0.000 0.429 28 D N -0.438 119.926 120.400 -0.060 0.000 2.117 28 D HA -0.135 4.518 4.640 0.022 0.000 0.197 28 D C 1.770 178.047 176.300 -0.038 0.000 0.987 28 D CA 1.188 55.172 54.000 -0.026 0.000 0.829 28 D CB -0.155 40.652 40.800 0.012 0.000 0.961 28 D HN 0.370 8.740 8.370 -0.000 0.000 0.460 29 I N 0.235 120.767 120.570 -0.062 0.000 2.226 29 I HA -0.236 3.947 4.170 0.022 0.000 0.245 29 I C 2.346 178.395 176.117 -0.114 0.000 1.100 29 I CA 0.620 61.869 61.300 -0.085 0.000 1.374 29 I CB -0.271 37.649 38.000 -0.133 0.000 1.057 29 I HN -0.084 8.126 8.210 -0.000 0.000 0.413 30 V N 1.286 121.119 119.914 -0.135 0.000 2.295 30 V HA -0.272 3.861 4.120 0.022 0.000 0.246 30 V C 2.178 178.227 176.094 -0.075 0.000 1.049 30 V CA 1.997 64.228 62.300 -0.116 0.000 1.024 30 V CB -0.872 30.878 31.823 -0.122 0.000 0.648 30 V HN 0.452 8.642 8.190 -0.000 0.000 0.447 31 N N 0.141 118.805 118.700 -0.059 0.000 2.142 31 N HA -0.049 4.704 4.740 0.022 0.000 0.186 31 N C 1.786 177.285 175.510 -0.019 0.000 1.023 31 N CA 1.458 54.489 53.050 -0.030 0.000 0.852 31 N CB -0.329 38.146 38.487 -0.021 0.000 0.998 31 N HN 0.436 8.816 8.380 -0.000 0.000 0.424 32 I N 1.017 121.572 120.570 -0.026 0.000 2.179 32 I HA -0.215 3.968 4.170 0.022 0.000 0.242 32 I C 1.977 178.066 176.117 -0.046 0.000 1.088 32 I CA 0.953 62.247 61.300 -0.011 0.000 1.357 32 I CB -0.196 37.798 38.000 -0.010 0.000 1.051 32 I HN 0.042 8.252 8.210 -0.000 0.000 0.409 33 I N 0.452 120.957 120.570 -0.110 0.000 2.286 33 I HA -0.298 3.885 4.170 0.022 0.000 0.248 33 I C 2.099 178.169 176.117 -0.079 0.000 1.115 33 I CA 1.487 62.670 61.300 -0.195 0.000 1.392 33 I CB -0.439 37.412 38.000 -0.248 0.000 1.065 33 I HN 0.233 8.443 8.210 -0.000 0.000 0.418 34 D N 0.934 121.313 120.400 -0.035 0.000 2.117 34 D HA -0.128 4.525 4.640 0.022 0.000 0.198 34 D C 2.182 178.498 176.300 0.026 0.000 0.982 34 D CA 1.358 55.362 54.000 0.007 0.000 0.828 34 D CB 0.092 40.893 40.800 0.002 0.000 0.967 34 D HN 0.288 8.658 8.370 -0.000 0.000 0.464 35 A N 0.172 123.010 122.820 0.030 0.000 2.015 35 A HA 0.119 4.452 4.320 0.022 0.000 0.219 35 A C 2.135 179.765 177.584 0.077 0.000 1.163 35 A CA 1.478 53.558 52.037 0.072 0.000 0.646 35 A CB -0.593 18.465 19.000 0.097 0.000 0.806 35 A HN 0.251 8.401 8.150 -0.000 0.000 0.448 36 A N -0.551 122.251 122.820 -0.031 0.000 2.239 36 A HA 0.041 4.374 4.320 0.022 0.000 0.209 36 A C 1.890 179.327 177.584 -0.246 0.000 1.171 36 A CA 0.612 52.411 52.037 -0.395 0.000 0.768 36 A CB -0.370 18.405 19.000 -0.376 0.000 0.790 36 A HN 0.541 8.691 8.150 -0.000 0.000 0.478 37 R N -0.972 119.514 120.500 -0.022 0.000 2.312 37 R HA 0.300 4.653 4.340 0.022 0.000 0.205 37 R C -0.426 175.875 176.300 0.002 0.000 0.904 37 R CA -0.055 56.042 56.100 -0.005 0.000 1.052 37 R CB 0.108 30.437 30.300 0.048 0.000 1.014 37 R HN 0.385 8.655 8.270 -0.000 0.000 0.503 38 L N 2.221 123.473 121.223 0.048 0.000 2.307 38 L HA 0.206 4.559 4.340 0.022 0.000 0.282 38 L C 0.072 177.019 176.870 0.127 0.000 1.051 38 L CA -0.975 53.912 54.840 0.079 0.000 0.804 38 L CB 0.946 43.057 42.059 0.086 0.000 1.197 38 L HN 0.058 8.288 8.230 -0.000 0.000 0.431 39 D N 2.015 122.469 120.400 0.090 0.000 2.478 39 D HA 0.204 4.857 4.640 0.022 0.000 0.269 39 D C 1.008 177.358 176.300 0.083 0.000 1.232 39 D CA -0.232 53.825 54.000 0.096 0.000 1.059 39 D CB 0.786 41.621 40.800 0.059 0.000 1.104 39 D HN 0.483 8.853 8.370 -0.000 0.000 0.566 40 A N -0.354 122.504 122.820 0.063 0.000 2.076 40 A HA -0.217 4.116 4.320 0.022 0.000 0.220 40 A C 1.549 179.154 177.584 0.035 0.000 1.160 40 A CA 1.473 53.535 52.037 0.042 0.000 0.653 40 A CB -1.103 17.913 19.000 0.027 0.000 0.801 40 A HN 0.679 8.829 8.150 -0.000 0.000 0.455 41 N N -1.434 117.286 118.700 0.034 0.000 2.336 41 N HA 0.327 5.080 4.740 0.022 0.000 0.189 41 N C 0.908 176.436 175.510 0.029 0.000 1.113 41 N CA 0.446 53.512 53.050 0.027 0.000 0.858 41 N CB 0.351 38.851 38.487 0.022 0.000 0.970 41 N HN 0.553 8.933 8.380 -0.000 0.000 0.471 42 G N 0.932 109.756 108.800 0.039 0.000 2.159 42 G HA2 -0.296 3.677 3.960 0.022 0.000 0.256 42 G HA3 -0.296 3.677 3.960 0.022 0.000 0.256 42 G C -0.053 174.868 174.900 0.034 0.000 0.977 42 G CA -0.016 45.108 45.100 0.039 0.000 0.652 42 G HN 0.240 8.530 8.290 -0.000 0.000 0.531 43 K N 0.529 120.948 120.400 0.032 0.000 2.110 43 K HA 0.426 4.759 4.320 0.022 0.000 0.263 43 K C 0.509 177.124 176.600 0.024 0.000 0.975 43 K CA -0.672 55.629 56.287 0.024 0.000 0.895 43 K CB 1.187 33.699 32.500 0.019 0.000 1.060 43 K HN 0.145 8.395 8.250 -0.000 0.000 0.448 44 K N 1.269 121.679 120.400 0.017 0.000 2.326 44 K HA 0.170 4.503 4.320 0.022 0.000 0.275 44 K C -0.450 176.148 176.600 -0.003 0.000 1.018 44 K CA -0.312 55.981 56.287 0.010 0.000 0.962 44 K CB 0.858 33.364 32.500 0.009 0.000 0.953 44 K HN 0.187 8.437 8.250 -0.000 0.000 0.475 45 V N 3.560 123.462 119.914 -0.021 0.000 2.409 45 V HA 0.137 4.270 4.120 0.022 0.000 0.291 45 V C 0.080 176.130 176.094 -0.073 0.000 1.020 45 V CA -0.944 61.331 62.300 -0.041 0.000 0.848 45 V CB 1.423 33.218 31.823 -0.048 0.000 0.990 45 V HN 0.658 8.848 8.190 -0.000 0.000 0.430 46 K N 3.187 123.551 120.400 -0.061 0.000 2.453 46 K HA 0.272 4.605 4.320 0.022 0.000 0.280 46 K C 1.164 177.689 176.600 -0.124 0.000 1.045 46 K CA 1.236 57.481 56.287 -0.070 0.000 1.059 46 K CB 0.056 32.529 32.500 -0.044 0.000 0.901 46 K HN 1.172 9.422 8.250 -0.000 0.000 0.475 47 G N 2.359 111.060 108.800 -0.166 0.000 2.175 47 G HA2 -0.181 3.792 3.960 0.022 0.000 0.244 47 G HA3 -0.181 3.792 3.960 0.022 0.000 0.244 47 G C 0.390 174.909 174.900 -0.636 0.000 0.982 47 G CA 0.001 44.933 45.100 -0.281 0.000 0.641 47 G HN 1.442 9.732 8.290 -0.000 0.000 0.527 48 G N -1.871 106.600 108.800 -0.548 0.000 2.617 48 G HA2 0.467 4.440 3.960 0.022 0.000 0.686 48 G HA3 0.467 4.440 3.960 0.022 0.000 0.686 48 G C 0.584 175.241 174.900 -0.404 0.000 1.214 48 G CA 0.755 45.399 45.100 -0.760 0.000 0.796 48 G HN 1.827 10.117 8.290 -0.000 0.000 0.654 49 A N 0.434 123.089 122.820 -0.276 0.000 1.997 49 A HA 0.661 4.995 4.320 0.022 0.000 0.212 49 A C 0.684 178.303 177.584 0.058 0.000 1.178 49 A CA 2.203 54.194 52.037 -0.076 0.000 0.698 49 A CB -0.020 19.016 19.000 0.059 0.000 0.842 49 A HN 2.185 10.335 8.150 -0.000 0.000 0.458 50 Y N -4.334 115.995 120.300 0.047 0.000 2.609 50 Y HA 0.701 5.264 4.550 0.022 0.000 0.336 50 Y C -3.537 172.468 175.900 0.176 0.000 1.129 50 Y CA -3.664 54.484 58.100 0.080 0.000 1.040 50 Y CB 0.078 38.584 38.460 0.077 0.000 1.310 50 Y HN -0.188 8.092 8.280 -0.000 0.000 0.460 51 P HA 0.367 4.787 4.420 -0.000 0.000 0.272 51 P C -1.046 176.452 177.300 0.329 0.000 1.223 51 P CA -0.023 63.254 63.100 0.296 0.000 0.784 51 P CB 0.856 32.679 31.700 0.205 0.000 0.923 52 L N 1.452 122.814 121.223 0.232 0.000 2.401 52 L HA 0.525 4.878 4.340 0.022 0.000 0.266 52 L C -0.954 175.971 176.870 0.092 0.000 0.991 52 L CA -1.018 53.915 54.840 0.156 0.000 0.818 52 L CB 2.500 44.581 42.059 0.036 0.000 1.321 52 L HN 0.003 8.233 8.230 -0.000 0.000 0.413 53 V N 4.266 124.229 119.914 0.082 0.000 2.340 53 V HA 0.396 4.529 4.120 0.022 0.000 0.277 53 V C -0.112 176.008 176.094 0.044 0.000 1.017 53 V CA -0.259 62.075 62.300 0.057 0.000 0.820 53 V CB 1.507 33.366 31.823 0.059 0.000 1.028 53 V HN 0.478 8.668 8.190 -0.000 0.000 0.436 54 I N 3.588 124.175 120.570 0.028 0.000 2.315 54 I HA 0.318 4.501 4.170 0.022 0.000 0.291 54 I C 0.425 176.574 176.117 0.053 0.000 1.006 54 I CA 0.088 61.409 61.300 0.034 0.000 1.265 54 I CB 1.574 39.582 38.000 0.014 0.000 1.387 54 I HN 0.430 8.640 8.210 -0.000 0.000 0.475 55 T N 6.191 120.780 114.554 0.059 0.000 2.753 55 T HA 0.179 4.542 4.350 0.022 0.000 0.297 55 T C -0.559 174.204 174.700 0.105 0.000 0.981 55 T CA -0.201 61.937 62.100 0.063 0.000 0.956 55 T CB -0.014 68.870 68.868 0.027 0.000 0.936 55 T HN 0.268 8.508 8.240 -0.000 0.000 0.463 56 Y N 3.799 124.101 120.300 0.004 0.000 2.365 56 Y HA 0.360 4.923 4.550 0.022 0.000 0.340 56 Y C 1.372 177.281 175.900 0.016 0.000 1.016 56 Y CA -0.597 57.516 58.100 0.021 0.000 1.196 56 Y CB 0.834 39.321 38.460 0.046 0.000 1.167 56 Y HN 0.663 8.943 8.280 -0.000 0.000 0.509 57 T N 1.371 115.615 114.554 -0.516 0.000 3.044 57 T HA 0.337 4.701 4.350 0.022 0.000 0.260 57 T C 0.878 175.187 174.700 -0.652 0.000 1.019 57 T CA 0.141 61.967 62.100 -0.457 0.000 0.921 57 T CB -0.375 68.362 68.868 -0.218 0.000 1.053 57 T HN 0.784 9.024 8.240 -0.000 0.000 0.533 58 G N 1.495 109.550 108.800 -1.242 0.000 2.614 58 G HA2 0.344 4.317 3.960 0.022 0.000 0.239 58 G HA3 0.344 4.317 3.960 0.022 0.000 0.239 58 G C -0.529 174.149 174.900 -0.370 0.000 1.240 58 G CA -0.506 44.178 45.100 -0.693 0.000 0.842 58 G HN 0.439 8.729 8.290 -0.000 0.000 0.584 59 N N 0.062 118.723 118.700 -0.064 0.000 2.430 59 N HA 0.147 4.900 4.740 0.022 0.000 0.290 59 N C -0.618 174.943 175.510 0.085 0.000 1.063 59 N CA -0.389 52.677 53.050 0.026 0.000 0.883 59 N CB 1.875 40.354 38.487 -0.013 0.000 1.465 59 N HN 0.554 8.934 8.380 -0.000 0.000 0.493 60 E N 2.144 122.415 120.200 0.119 0.000 2.815 60 E HA 0.102 4.465 4.350 0.022 0.000 0.211 60 E C -0.301 176.343 176.600 0.074 0.000 1.004 60 E CA -0.367 56.096 56.400 0.106 0.000 1.173 60 E CB 0.595 30.383 29.700 0.146 0.000 1.163 60 E HN 0.487 8.847 8.360 -0.000 0.000 0.449 61 D N 0.924 121.363 120.400 0.064 0.000 2.149 61 D HA -0.183 4.470 4.640 0.022 0.000 0.198 61 D C 2.144 178.467 176.300 0.039 0.000 0.990 61 D CA 1.691 55.726 54.000 0.059 0.000 0.839 61 D CB -0.072 40.757 40.800 0.047 0.000 0.948 61 D HN 0.230 8.600 8.370 -0.000 0.000 0.460 62 S N 0.163 115.881 115.700 0.030 0.000 2.383 62 S HA -0.131 4.352 4.470 0.022 0.000 0.229 62 S C 2.228 176.836 174.600 0.013 0.000 1.030 62 S CA 0.678 58.889 58.200 0.017 0.000 1.002 62 S CB -0.695 62.515 63.200 0.016 0.000 0.829 62 S HN 0.259 8.569 8.310 -0.000 0.000 0.467 63 L N 0.601 121.840 121.223 0.027 0.000 2.093 63 L HA 0.055 4.408 4.340 0.022 0.000 0.208 63 L C 2.611 179.489 176.870 0.012 0.000 1.085 63 L CA 1.086 55.942 54.840 0.027 0.000 0.755 63 L CB -0.540 41.548 42.059 0.050 0.000 0.904 63 L HN 0.296 8.526 8.230 -0.000 0.000 0.435 64 I N 0.012 120.594 120.570 0.019 0.000 2.179 64 I HA -0.273 3.910 4.170 0.022 0.000 0.242 64 I C 2.130 178.189 176.117 -0.096 0.000 1.088 64 I CA 1.102 62.404 61.300 0.004 0.000 1.357 64 I CB -0.374 37.681 38.000 0.091 0.000 1.051 64 I HN 0.342 8.552 8.210 -0.000 0.000 0.409 65 N N 1.122 119.790 118.700 -0.054 0.000 2.244 65 N HA -0.090 4.663 4.740 0.022 0.000 0.183 65 N C 1.866 177.311 175.510 -0.107 0.000 1.016 65 N CA 1.472 54.470 53.050 -0.086 0.000 0.866 65 N CB -0.343 38.124 38.487 -0.033 0.000 0.980 65 N HN 0.343 8.723 8.380 -0.000 0.000 0.430 66 A N 0.927 123.705 122.820 -0.069 0.000 1.930 66 A HA 0.113 4.446 4.320 0.022 0.000 0.217 66 A C 2.338 179.879 177.584 -0.071 0.000 1.175 66 A CA 1.675 53.679 52.037 -0.054 0.000 0.627 66 A CB -0.659 18.326 19.000 -0.024 0.000 0.815 66 A HN 0.295 8.445 8.150 -0.000 0.000 0.443 67 A N -0.120 122.647 122.820 -0.089 0.000 1.930 67 A HA 0.231 4.565 4.320 0.022 0.000 0.217 67 A C 2.458 179.922 177.584 -0.201 0.000 1.175 67 A CA 1.774 53.777 52.037 -0.058 0.000 0.627 67 A CB -0.930 18.101 19.000 0.052 0.000 0.815 67 A HN 1.026 9.176 8.150 -0.000 0.000 0.443 68 A N -0.176 122.304 122.820 -0.567 0.000 1.978 68 A HA 0.148 4.481 4.320 0.022 0.000 0.220 68 A C 2.319 179.772 177.584 -0.220 0.000 1.170 68 A CA 1.946 53.530 52.037 -0.755 0.000 0.636 68 A CB -0.729 17.831 19.000 -0.733 0.000 0.810 68 A HN 1.059 9.209 8.150 -0.000 0.000 0.448 69 A N -1.352 121.385 122.820 -0.138 0.000 2.169 69 A HA 0.105 4.438 4.320 0.022 0.000 0.212 69 A C 1.057 178.632 177.584 -0.014 0.000 1.153 69 A CA 1.123 53.127 52.037 -0.055 0.000 0.756 69 A CB -0.181 18.790 19.000 -0.047 0.000 0.813 69 A HN 0.434 8.584 8.150 -0.000 0.000 0.471 70 N N -0.683 118.019 118.700 0.003 0.000 2.687 70 N HA 0.247 5.001 4.740 0.022 0.000 0.275 70 N C 0.185 175.749 175.510 0.089 0.000 1.789 70 N CA -0.366 52.705 53.050 0.035 0.000 0.806 70 N CB -0.199 38.296 38.487 0.013 0.000 1.256 70 N HN 0.023 8.403 8.380 -0.000 0.000 0.500 71 I N 0.164 120.826 120.570 0.154 0.000 2.145 71 I HA -0.344 3.839 4.170 0.022 0.000 0.244 71 I C 1.757 177.973 176.117 0.164 0.000 1.075 71 I CA 1.550 63.023 61.300 0.288 0.000 1.332 71 I CB -0.039 38.178 38.000 0.361 0.000 1.033 71 I HN 0.501 8.711 8.210 -0.000 0.000 0.410 72 c N 0.357 119.047 118.600 0.151 0.000 2.522 72 c HA 0.132 4.715 4.570 0.022 0.000 0.271 72 c C 2.511 176.664 174.090 0.104 0.000 1.425 72 c CA 0.449 56.885 56.329 0.178 0.000 1.751 72 c CB -1.900 40.734 42.510 0.206 0.000 1.775 72 c HN 0.672 8.902 8.230 -0.000 0.000 0.557 73 G N -0.548 108.256 108.800 0.006 0.000 2.880 73 G HA2 -0.035 3.938 3.960 0.022 0.000 0.209 73 G HA3 -0.035 3.938 3.960 0.022 0.000 0.209 73 G C 1.643 176.433 174.900 -0.182 0.000 1.157 73 G CA 0.190 45.224 45.100 -0.110 0.000 0.779 73 G HN 0.436 8.726 8.290 -0.000 0.000 0.539 74 Q N 0.410 120.140 119.800 -0.117 0.000 2.062 74 Q HA -0.062 4.291 4.340 0.022 0.000 0.196 74 Q C 2.428 178.347 176.000 -0.134 0.000 0.967 74 Q CA 1.099 56.844 55.803 -0.097 0.000 0.832 74 Q CB -0.612 28.111 28.738 -0.025 0.000 0.899 74 Q HN 0.905 9.175 8.270 -0.000 0.000 0.442 75 W N 1.592 122.765 121.300 -0.211 0.000 2.331 75 W HA -0.173 4.501 4.660 0.024 0.000 0.291 75 W C 1.410 177.884 176.519 -0.075 0.000 1.214 75 W CA 1.625 58.875 57.345 -0.159 0.000 1.228 75 W CB -1.149 28.199 29.460 -0.187 0.000 1.135 75 W HN 0.187 8.367 8.180 -0.000 0.000 0.537 76 S N 0.173 115.386 115.700 -0.811 0.000 2.558 76 S HA 0.123 4.607 4.470 0.022 0.000 0.217 76 S C 0.761 175.166 174.600 -0.325 0.000 0.975 76 S CA -0.186 57.579 58.200 -0.725 0.000 0.912 76 S CB -0.152 62.308 63.200 -1.233 0.000 0.776 76 S HN 0.149 8.459 8.310 -0.000 0.000 0.526 77 K N 1.516 121.783 120.400 -0.222 0.000 2.120 77 K HA 0.259 4.592 4.320 0.022 0.000 0.245 77 K C -0.740 175.841 176.600 -0.031 0.000 1.024 77 K CA -0.666 55.556 56.287 -0.109 0.000 0.906 77 K CB 0.153 32.612 32.500 -0.068 0.000 1.051 77 K HN 0.136 8.386 8.250 -0.000 0.000 0.491 78 D N 2.643 123.042 120.400 -0.002 0.000 2.414 78 D HA 0.085 4.738 4.640 0.022 0.000 0.242 78 D C -2.098 174.257 176.300 0.092 0.000 1.129 78 D CA -1.160 52.864 54.000 0.040 0.000 0.885 78 D CB 0.372 41.196 40.800 0.039 0.000 1.198 78 D HN 0.230 8.600 8.370 -0.000 0.000 0.437 79 P HA 0.258 4.678 4.420 -0.000 0.000 0.276 79 P C -0.593 176.878 177.300 0.286 0.000 1.244 79 P CA -0.458 62.791 63.100 0.248 0.000 0.801 79 P CB 1.155 33.028 31.700 0.288 0.000 1.006 80 R N 0.442 121.105 120.500 0.271 0.000 2.513 80 R HA 0.728 5.081 4.340 0.022 0.000 0.301 80 R C -0.315 175.880 176.300 -0.175 0.000 0.968 80 R CA -0.521 55.634 56.100 0.093 0.000 0.872 80 R CB 2.209 32.563 30.300 0.091 0.000 1.177 80 R HN 0.775 9.045 8.270 -0.000 0.000 0.444 81 G N 1.047 109.479 108.800 -0.613 0.000 2.667 81 G HA2 0.353 4.326 3.960 0.022 0.000 0.294 81 G HA3 0.353 4.326 3.960 0.022 0.000 0.294 81 G C -1.598 172.757 174.900 -0.908 0.000 1.467 81 G CA -0.461 43.822 45.100 -1.360 0.000 0.852 81 G HN 0.297 8.587 8.290 -0.000 0.000 0.521 82 V N 1.045 120.559 119.914 -0.666 0.000 2.432 82 V HA 0.402 4.536 4.120 0.022 0.000 0.275 82 V C 0.360 176.310 176.094 -0.239 0.000 1.043 82 V CA -0.411 61.664 62.300 -0.376 0.000 0.925 82 V CB 1.383 33.029 31.823 -0.295 0.000 0.985 82 V HN 0.784 8.974 8.190 -0.000 0.000 0.466 83 E N 4.952 125.115 120.200 -0.062 0.000 2.174 83 E HA 0.440 4.803 4.350 0.022 0.000 0.282 83 E C -0.891 175.732 176.600 0.039 0.000 0.992 83 E CA -0.544 55.913 56.400 0.095 0.000 0.803 83 E CB 1.042 30.855 29.700 0.187 0.000 1.090 83 E HN 0.638 8.998 8.360 -0.000 0.000 0.396 84 I N 5.547 126.153 120.570 0.060 0.000 2.377 84 I HA 0.215 4.398 4.170 0.022 0.000 0.282 84 I C -0.053 176.122 176.117 0.097 0.000 1.091 84 I CA -0.384 60.936 61.300 0.034 0.000 1.207 84 I CB 0.596 38.599 38.000 0.004 0.000 1.429 84 I HN 0.253 8.463 8.210 -0.000 0.000 0.491 85 K N 5.954 126.417 120.400 0.106 0.000 2.213 85 K HA 0.280 4.613 4.320 0.022 0.000 0.270 85 K C -0.010 176.669 176.600 0.133 0.000 1.002 85 K CA -0.295 56.060 56.287 0.113 0.000 0.868 85 K CB 0.770 33.326 32.500 0.094 0.000 1.093 85 K HN 0.446 8.696 8.250 -0.000 0.000 0.454 86 E N 2.125 122.394 120.200 0.114 0.000 2.297 86 E HA -0.266 4.097 4.350 0.022 0.000 0.228 86 E C -1.293 175.374 176.600 0.112 0.000 1.213 86 E CA 0.505 56.958 56.400 0.089 0.000 0.712 86 E CB -1.030 28.701 29.700 0.052 0.000 1.202 86 E HN 0.342 8.702 8.360 -0.000 0.000 0.376 87 F N 0.712 120.666 119.950 0.007 0.000 2.445 87 F HA 0.252 4.792 4.527 0.022 0.000 0.348 87 F C 1.072 176.876 175.800 0.006 0.000 1.125 87 F CA 0.109 58.106 58.000 -0.006 0.000 0.983 87 F CB 1.204 40.196 39.000 -0.014 0.000 1.198 87 F HN -0.020 8.280 8.300 -0.000 0.000 0.436 88 T N 0.399 114.852 114.554 -0.168 0.000 3.040 88 T HA 0.147 4.510 4.350 0.022 0.000 0.266 88 T C 1.409 176.058 174.700 -0.085 0.000 1.005 88 T CA -0.229 61.839 62.100 -0.053 0.000 0.906 88 T CB 0.043 68.879 68.868 -0.053 0.000 1.082 88 T HN 0.326 8.566 8.240 -0.000 0.000 0.531 89 K N 1.874 122.113 120.400 -0.269 0.000 2.362 89 K HA 0.244 4.577 4.320 0.022 0.000 0.200 89 K C 1.197 177.857 176.600 0.100 0.000 1.046 89 K CA 0.841 57.059 56.287 -0.114 0.000 0.952 89 K CB -0.469 31.903 32.500 -0.213 0.000 0.753 89 K HN 0.726 8.976 8.250 -0.000 0.000 0.466 90 G N 1.349 110.287 108.800 0.230 0.000 3.226 90 G HA2 -0.078 3.895 3.960 0.022 0.000 0.685 90 G HA3 -0.078 3.895 3.960 0.022 0.000 0.685 90 G C -1.196 173.869 174.900 0.274 0.000 1.207 90 G CA -0.628 44.605 45.100 0.222 0.000 0.877 90 G HN 0.147 8.437 8.290 -0.000 0.000 0.585 91 I N 1.247 121.930 120.570 0.189 0.000 2.752 91 I HA 0.793 4.976 4.170 0.022 0.000 0.295 91 I C -0.655 175.499 176.117 0.062 0.000 1.219 91 I CA -0.695 60.655 61.300 0.084 0.000 1.030 91 I CB 2.329 40.283 38.000 -0.076 0.000 1.259 91 I HN 0.572 8.782 8.210 -0.000 0.000 0.423 92 T N 7.738 122.315 114.554 0.039 0.000 2.879 92 T HA 0.562 4.925 4.350 0.022 0.000 0.290 92 T C -0.570 174.133 174.700 0.005 0.000 0.993 92 T CA -0.262 61.859 62.100 0.035 0.000 0.975 92 T CB 1.180 70.079 68.868 0.053 0.000 0.981 92 T HN 0.300 8.540 8.240 -0.000 0.000 0.439 93 I N 4.247 124.811 120.570 -0.011 0.000 2.354 93 I HA 0.515 4.698 4.170 0.022 0.000 0.286 93 I C -0.548 175.563 176.117 -0.011 0.000 1.007 93 I CA -0.721 60.571 61.300 -0.013 0.000 1.167 93 I CB 1.258 39.236 38.000 -0.036 0.000 1.320 93 I HN 0.498 8.708 8.210 -0.000 0.000 0.458 94 I N 5.629 126.209 120.570 0.016 0.000 2.436 94 I HA 0.590 4.773 4.170 0.022 0.000 0.289 94 I C 0.329 176.485 176.117 0.064 0.000 1.010 94 I CA -0.319 60.987 61.300 0.011 0.000 1.098 94 I CB 1.475 39.469 38.000 -0.011 0.000 1.266 94 I HN 0.580 8.790 8.210 -0.000 0.000 0.434 95 G N 5.425 114.269 108.800 0.073 0.000 2.444 95 G HA2 0.583 4.556 3.960 0.022 0.000 0.268 95 G HA3 0.583 4.556 3.960 0.022 0.000 0.268 95 G C -0.260 174.673 174.900 0.055 0.000 1.203 95 G CA -0.290 44.896 45.100 0.143 0.000 0.835 95 G HN 0.867 9.157 8.290 -0.000 0.000 0.543 96 A N 2.012 124.848 122.820 0.027 0.000 2.304 96 A HA 0.486 4.819 4.320 0.022 0.000 0.271 96 A C 0.594 178.167 177.584 -0.018 0.000 1.091 96 A CA -0.715 51.311 52.037 -0.018 0.000 0.812 96 A CB 0.330 19.299 19.000 -0.052 0.000 1.056 96 A HN 0.645 8.795 8.150 -0.000 0.000 0.489 97 N N 0.153 118.836 118.700 -0.028 0.000 2.454 97 N HA 0.333 5.086 4.740 0.022 0.000 0.260 97 N C 1.112 176.607 175.510 -0.026 0.000 1.218 97 N CA 1.614 54.648 53.050 -0.026 0.000 0.904 97 N CB 0.951 39.417 38.487 -0.035 0.000 1.065 97 N HN 1.245 9.625 8.380 -0.000 0.000 0.462 98 G N 0.481 109.272 108.800 -0.014 0.000 2.194 98 G HA2 -0.295 3.678 3.960 0.022 0.000 0.236 98 G HA3 -0.295 3.678 3.960 0.022 0.000 0.236 98 G C 0.254 175.146 174.900 -0.013 0.000 0.987 98 G CA 0.403 45.494 45.100 -0.015 0.000 0.635 98 G HN 0.821 9.111 8.290 -0.000 0.000 0.520 99 S N -0.057 115.637 115.700 -0.010 0.000 2.603 99 S HA 0.796 5.279 4.470 0.022 0.000 0.268 99 S C 0.170 174.829 174.600 0.099 0.000 1.317 99 S CA 0.816 59.011 58.200 -0.008 0.000 1.012 99 S CB 2.017 65.199 63.200 -0.031 0.000 0.926 99 S HN 2.108 10.418 8.310 -0.000 0.000 0.539 100 S N -0.343 115.466 115.700 0.182 0.000 2.565 100 S HA 0.798 5.281 4.470 0.022 0.000 0.269 100 S C -1.057 173.645 174.600 0.170 0.000 1.153 100 S CA -0.600 57.693 58.200 0.156 0.000 0.835 100 S CB 1.046 64.314 63.200 0.113 0.000 1.122 100 S HN 1.881 10.191 8.310 -0.000 0.000 0.462 101 A N 1.089 123.855 122.820 -0.091 0.000 2.486 101 A HA 0.737 5.070 4.320 0.022 0.000 0.300 101 A C -0.419 176.935 177.584 -0.384 0.000 1.048 101 A CA -0.747 51.033 52.037 -0.429 0.000 0.696 101 A CB 1.330 19.550 19.000 -1.300 0.000 1.278 101 A HN 0.936 9.086 8.150 -0.000 0.000 0.405 102 N N 1.306 119.871 118.700 -0.225 0.000 2.389 102 N HA 0.337 5.090 4.740 0.022 0.000 0.260 102 N C -1.100 174.399 175.510 -0.018 0.000 1.191 102 N CA 0.044 53.038 53.050 -0.093 0.000 0.885 102 N CB 0.117 38.623 38.487 0.032 0.000 1.162 102 N HN 0.568 8.948 8.380 -0.000 0.000 0.512 103 F N -1.923 117.951 119.950 -0.128 0.000 2.613 103 F HA 0.788 5.328 4.527 0.022 0.000 0.310 103 F C 0.094 175.734 175.800 -0.266 0.000 1.085 103 F CA -1.123 56.762 58.000 -0.192 0.000 0.945 103 F CB 0.514 39.372 39.000 -0.237 0.000 1.298 103 F HN -0.215 8.085 8.300 -0.000 0.000 0.455 104 G N 1.295 109.994 108.800 -0.169 0.000 2.521 104 G HA2 0.646 4.619 3.960 0.022 0.000 0.323 104 G HA3 0.646 4.619 3.960 0.022 0.000 0.323 104 G C -1.358 173.248 174.900 -0.490 0.000 1.211 104 G CA -0.975 43.953 45.100 -0.288 0.000 0.979 104 G HN 0.606 8.896 8.290 -0.000 0.000 0.490 105 I N 0.492 120.865 120.570 -0.328 0.000 2.382 105 I HA 0.297 4.480 4.170 0.022 0.000 0.286 105 I C -1.224 174.875 176.117 -0.030 0.000 1.002 105 I CA -0.976 60.183 61.300 -0.235 0.000 1.135 105 I CB 1.304 39.248 38.000 -0.093 0.000 1.288 105 I HN 0.392 8.602 8.210 -0.000 0.000 0.448 106 W N 7.476 128.791 121.300 0.025 0.000 2.318 106 W HA 0.520 5.193 4.660 0.021 0.000 0.315 106 W C -0.225 176.307 176.519 0.022 0.000 1.033 106 W CA -1.157 56.202 57.345 0.024 0.000 1.275 106 W CB 0.888 30.363 29.460 0.025 0.000 1.250 106 W HN 0.262 8.442 8.180 -0.000 0.000 0.421 107 I N 3.598 124.305 120.570 0.229 0.000 2.353 107 I HA 0.368 4.551 4.170 0.022 0.000 0.293 107 I C 0.185 176.382 176.117 0.134 0.000 0.992 107 I CA -0.520 60.869 61.300 0.148 0.000 1.268 107 I CB 1.332 39.401 38.000 0.116 0.000 1.387 107 I HN 0.182 8.392 8.210 -0.000 0.000 0.478 108 K N 5.981 126.452 120.400 0.117 0.000 2.553 108 K HA 0.310 4.643 4.320 0.022 0.000 0.250 108 K C -0.590 176.060 176.600 0.083 0.000 0.953 108 K CA -0.735 55.608 56.287 0.093 0.000 0.800 108 K CB 1.211 33.766 32.500 0.091 0.000 1.243 108 K HN 0.458 8.708 8.250 -0.000 0.000 0.435 109 K N 0.947 121.388 120.400 0.068 0.000 3.035 109 K HA -0.158 4.176 4.320 0.022 0.000 0.262 109 K C -0.850 175.792 176.600 0.071 0.000 1.024 109 K CA 0.980 57.303 56.287 0.060 0.000 0.748 109 K CB -1.245 31.285 32.500 0.049 0.000 1.247 109 K HN 0.586 8.836 8.250 -0.000 0.000 0.482 110 S N -0.959 114.793 115.700 0.086 0.000 2.798 110 S HA 0.790 5.273 4.470 0.022 0.000 0.312 110 S C -0.547 174.109 174.600 0.093 0.000 1.122 110 S CA -0.270 57.994 58.200 0.106 0.000 0.949 110 S CB 2.031 65.316 63.200 0.143 0.000 1.235 110 S HN 0.399 8.709 8.310 -0.000 0.000 0.552 111 S N -0.227 115.537 115.700 0.107 0.000 2.567 111 S HA 0.547 5.030 4.470 0.022 0.000 0.270 111 S C -1.972 172.697 174.600 0.115 0.000 1.152 111 S CA -0.889 57.368 58.200 0.094 0.000 0.835 111 S CB 1.078 64.319 63.200 0.068 0.000 1.115 111 S HN 0.668 8.978 8.310 -0.000 0.000 0.459 112 D N -0.248 120.218 120.400 0.109 0.000 2.746 112 D HA -0.122 4.531 4.640 0.022 0.000 0.241 112 D C -0.351 176.036 176.300 0.145 0.000 1.140 112 D CA 1.225 55.299 54.000 0.123 0.000 0.707 112 D CB -1.245 39.622 40.800 0.111 0.000 1.034 112 D HN 1.076 9.446 8.370 -0.000 0.000 0.423 113 V N -1.257 118.742 119.914 0.143 0.000 2.604 113 V HA 0.699 4.833 4.120 0.022 0.000 0.305 113 V C -0.485 175.694 176.094 0.142 0.000 1.043 113 V CA -0.501 61.876 62.300 0.127 0.000 0.888 113 V CB 2.650 34.532 31.823 0.099 0.000 0.995 113 V HN -0.044 8.146 8.190 -0.000 0.000 0.429 114 V N 6.439 126.424 119.914 0.119 0.000 2.540 114 V HA 0.635 4.768 4.120 0.022 0.000 0.302 114 V C -0.269 175.826 176.094 0.001 0.000 1.035 114 V CA -0.239 62.123 62.300 0.104 0.000 0.873 114 V CB 1.798 33.709 31.823 0.146 0.000 0.992 114 V HN 1.161 9.351 8.190 -0.000 0.000 0.428 115 V N 4.966 124.847 119.914 -0.056 0.000 2.444 115 V HA 0.717 4.850 4.120 0.022 0.000 0.294 115 V C -0.732 175.276 176.094 -0.143 0.000 1.022 115 V CA 0.020 62.273 62.300 -0.078 0.000 0.850 115 V CB 1.590 33.378 31.823 -0.058 0.000 0.992 115 V HN 0.984 9.174 8.190 -0.000 0.000 0.426 116 Q N 3.723 123.446 119.800 -0.129 0.000 2.451 116 Q HA 0.489 4.842 4.340 0.022 0.000 0.281 116 Q C 0.029 175.987 176.000 -0.071 0.000 1.099 116 Q CA -0.844 54.873 55.803 -0.142 0.000 0.806 116 Q CB 1.765 30.382 28.738 -0.200 0.000 1.419 116 Q HN 0.969 9.239 8.270 -0.000 0.000 0.427 117 N N 0.560 119.235 118.700 -0.042 0.000 2.710 117 N HA -0.167 4.586 4.740 0.022 0.000 0.249 117 N C -1.318 174.198 175.510 0.010 0.000 1.059 117 N CA 0.781 53.825 53.050 -0.010 0.000 0.720 117 N CB -0.144 38.322 38.487 -0.035 0.000 0.983 117 N HN 0.420 8.800 8.380 -0.000 0.000 0.544 118 M N 0.382 119.977 119.600 -0.007 0.000 2.238 118 M HA 0.278 4.771 4.480 0.022 0.000 0.350 118 M C 0.542 176.837 176.300 -0.007 0.000 1.138 118 M CA -0.335 54.953 55.300 -0.019 0.000 1.040 118 M CB 1.627 34.169 32.600 -0.097 0.000 1.639 118 M HN 0.134 8.424 8.290 -0.000 0.000 0.451 119 R N 3.877 124.390 120.500 0.022 0.000 2.239 119 R HA 0.665 5.018 4.340 0.022 0.000 0.332 119 R C -1.399 174.919 176.300 0.031 0.000 0.988 119 R CA -0.188 55.965 56.100 0.088 0.000 0.859 119 R CB 0.487 30.869 30.300 0.136 0.000 1.148 119 R HN 0.712 8.982 8.270 -0.000 0.000 0.482 120 I N 3.486 124.036 120.570 -0.034 0.000 2.436 120 I HA 0.573 4.756 4.170 0.022 0.000 0.289 120 I C 0.183 175.987 176.117 -0.522 0.000 1.010 120 I CA -0.775 60.372 61.300 -0.254 0.000 1.098 120 I CB 2.295 40.118 38.000 -0.294 0.000 1.266 120 I HN 0.749 8.959 8.210 -0.000 0.000 0.434 121 G N 3.034 111.394 108.800 -0.733 0.000 2.698 121 G HA2 0.492 4.465 3.960 0.022 0.000 0.293 121 G HA3 0.492 4.465 3.960 0.022 0.000 0.293 121 G C -1.168 173.350 174.900 -0.636 0.000 1.437 121 G CA -0.591 43.697 45.100 -1.354 0.000 0.852 121 G HN 0.539 8.829 8.290 -0.000 0.000 0.499 122 Y N -1.057 118.783 120.300 -0.768 0.000 3.037 122 Y HA -0.210 4.353 4.550 0.022 0.000 0.204 122 Y C 1.105 176.984 175.900 -0.036 0.000 1.275 122 Y CA 0.070 57.922 58.100 -0.412 0.000 1.066 122 Y CB -1.651 36.685 38.460 -0.207 0.000 1.305 122 Y HN 0.427 8.707 8.280 -0.000 0.000 0.499 123 L N 3.016 124.276 121.223 0.063 0.000 2.461 123 L HA 0.207 4.560 4.340 0.022 0.000 0.272 123 L C -1.459 175.590 176.870 0.298 0.000 1.197 123 L CA -1.726 53.211 54.840 0.162 0.000 0.836 123 L CB 0.426 42.553 42.059 0.114 0.000 1.105 123 L HN 0.022 8.252 8.230 -0.000 0.000 0.477 124 P HA 0.158 4.578 4.420 -0.000 0.000 0.278 124 P C 0.309 177.703 177.300 0.157 0.000 1.266 124 P CA -0.063 63.129 63.100 0.153 0.000 0.807 124 P CB 1.109 32.868 31.700 0.100 0.000 1.094 125 G N -0.116 108.748 108.800 0.108 0.000 2.171 125 G HA2 -0.206 3.767 3.960 0.022 0.000 0.238 125 G HA3 -0.206 3.767 3.960 0.022 0.000 0.238 125 G C 1.021 176.005 174.900 0.141 0.000 1.039 125 G CA 0.105 45.277 45.100 0.120 0.000 0.759 125 G HN 0.769 9.059 8.290 -0.000 0.000 0.501 126 G N 0.062 108.954 108.800 0.153 0.000 2.448 126 G HA2 0.189 4.162 3.960 0.022 0.000 0.219 126 G HA3 0.189 4.162 3.960 0.022 0.000 0.219 126 G C 1.780 176.748 174.900 0.112 0.000 1.127 126 G CA 2.004 47.184 45.100 0.134 0.000 0.766 126 G HN 1.657 9.947 8.290 -0.000 0.000 0.552 127 A N -0.300 122.629 122.820 0.181 0.000 2.206 127 A HA 0.265 4.598 4.320 0.022 0.000 0.211 127 A C 1.558 179.194 177.584 0.086 0.000 1.158 127 A CA 0.665 52.794 52.037 0.154 0.000 0.761 127 A CB 0.060 19.263 19.000 0.339 0.000 0.801 127 A HN 0.338 8.488 8.150 -0.000 0.000 0.473 128 K N 0.632 121.072 120.400 0.067 0.000 3.084 128 K HA 0.172 4.506 4.320 0.022 0.000 0.210 128 K C -1.097 175.478 176.600 -0.042 0.000 1.137 128 K CA -0.308 55.988 56.287 0.014 0.000 1.010 128 K CB 0.386 32.902 32.500 0.026 0.000 0.806 128 K HN 0.244 8.494 8.250 -0.000 0.000 0.460 129 D N 0.950 121.322 120.400 -0.047 0.000 2.699 129 D HA -0.128 4.525 4.640 0.022 0.000 0.239 129 D C 0.214 176.448 176.300 -0.110 0.000 1.136 129 D CA 0.840 54.772 54.000 -0.112 0.000 0.668 129 D CB -0.817 39.849 40.800 -0.224 0.000 1.060 129 D HN 0.667 9.037 8.370 -0.000 0.000 0.429 130 G N 1.234 110.071 108.800 0.062 0.000 3.197 130 G HA2 0.120 4.094 3.960 0.022 0.000 0.257 130 G HA3 0.120 4.094 3.960 0.022 0.000 0.257 130 G C 0.371 175.430 174.900 0.265 0.000 0.835 130 G CA -0.324 44.914 45.100 0.231 0.000 2.001 130 G HN 0.116 8.406 8.290 -0.000 0.000 0.625 131 D N 0.942 121.495 120.400 0.254 0.000 2.382 131 D HA 0.098 4.751 4.640 0.022 0.000 0.240 131 D C 1.610 178.126 176.300 0.359 0.000 1.146 131 D CA -0.142 54.011 54.000 0.255 0.000 0.897 131 D CB 1.209 42.114 40.800 0.173 0.000 1.197 131 D HN 0.135 8.505 8.370 -0.000 0.000 0.432 132 M N 0.596 120.291 119.600 0.158 0.000 2.193 132 M HA 0.090 4.583 4.480 0.022 0.000 0.265 132 M C 0.562 176.904 176.300 0.071 0.000 1.071 132 M CA 1.157 56.484 55.300 0.045 0.000 1.140 132 M CB 0.304 32.864 32.600 -0.066 0.000 1.369 132 M HN 0.231 8.521 8.290 -0.000 0.000 0.423 133 I N -0.013 120.631 120.570 0.123 0.000 2.571 133 I HA 0.329 4.512 4.170 0.022 0.000 0.289 133 I C -0.656 175.574 176.117 0.187 0.000 1.115 133 I CA -0.613 60.769 61.300 0.138 0.000 1.045 133 I CB 2.519 40.555 38.000 0.060 0.000 1.238 133 I HN 0.083 8.293 8.210 -0.000 0.000 0.424 134 R N 5.523 126.176 120.500 0.255 0.000 2.513 134 R HA 0.742 5.095 4.340 0.022 0.000 0.301 134 R C -1.866 174.525 176.300 0.153 0.000 0.968 134 R CA -0.487 55.724 56.100 0.184 0.000 0.872 134 R CB 2.033 32.424 30.300 0.151 0.000 1.177 134 R HN 0.414 8.684 8.270 -0.000 0.000 0.444 135 V N 4.119 124.099 119.914 0.110 0.000 2.349 135 V HA 0.291 4.424 4.120 0.022 0.000 0.284 135 V C -0.885 175.256 176.094 0.078 0.000 1.014 135 V CA -0.707 61.651 62.300 0.097 0.000 0.826 135 V CB 1.253 33.130 31.823 0.090 0.000 1.009 135 V HN 0.703 8.893 8.190 -0.000 0.000 0.431 136 D N 3.630 124.074 120.400 0.073 0.000 2.492 136 D HA 0.325 4.978 4.640 0.022 0.000 0.248 136 D C 0.050 176.382 176.300 0.053 0.000 1.101 136 D CA -0.178 53.854 54.000 0.054 0.000 0.840 136 D CB 1.460 42.284 40.800 0.040 0.000 1.209 136 D HN 0.572 8.942 8.370 -0.000 0.000 0.524 137 D N 2.097 122.524 120.400 0.045 0.000 2.708 137 D HA -0.164 4.489 4.640 0.022 0.000 0.236 137 D C -0.888 175.442 176.300 0.050 0.000 1.146 137 D CA 0.859 54.884 54.000 0.041 0.000 0.662 137 D CB -1.043 39.779 40.800 0.036 0.000 1.059 137 D HN 0.158 8.528 8.370 -0.000 0.000 0.428 138 S N 0.704 116.438 115.700 0.056 0.000 2.746 138 S HA 0.404 4.887 4.470 0.022 0.000 0.273 138 S C -2.288 172.351 174.600 0.064 0.000 1.172 138 S CA -0.954 57.285 58.200 0.065 0.000 1.116 138 S CB 3.083 66.331 63.200 0.079 0.000 1.057 138 S HN 0.019 8.329 8.310 -0.000 0.000 0.483 139 P HA 0.354 4.774 4.420 -0.000 0.000 0.278 139 P C -0.512 176.829 177.300 0.067 0.000 1.258 139 P CA -0.429 62.704 63.100 0.056 0.000 0.811 139 P CB 0.330 32.057 31.700 0.045 0.000 1.063 140 N N -1.544 117.196 118.700 0.067 0.000 2.727 140 N HA -0.096 4.657 4.740 0.022 0.000 0.251 140 N C -0.927 174.645 175.510 0.103 0.000 1.040 140 N CA 0.585 53.678 53.050 0.073 0.000 0.712 140 N CB -1.729 36.797 38.487 0.066 0.000 0.912 140 N HN 0.173 8.553 8.380 -0.000 0.000 0.545 141 V N 0.403 120.386 119.914 0.114 0.000 2.513 141 V HA 0.516 4.649 4.120 0.022 0.000 0.299 141 V C -0.033 176.198 176.094 0.227 0.000 1.035 141 V CA -0.739 61.653 62.300 0.152 0.000 0.889 141 V CB 2.047 33.941 31.823 0.118 0.000 0.988 141 V HN 0.355 8.545 8.190 -0.000 0.000 0.440 142 W N 5.352 126.665 121.300 0.023 0.000 2.424 142 W HA 0.681 5.354 4.660 0.021 0.000 0.318 142 W C -1.139 175.385 176.519 0.009 0.000 1.016 142 W CA -1.282 56.069 57.345 0.012 0.000 1.268 142 W CB 1.595 31.073 29.460 0.029 0.000 1.297 142 W HN 0.312 8.492 8.180 -0.000 0.000 0.428 143 V N 6.644 126.616 119.914 0.097 0.000 2.311 143 V HA 0.247 4.380 4.120 0.022 0.000 0.275 143 V C -0.668 175.296 176.094 -0.217 0.000 1.022 143 V CA -0.341 61.914 62.300 -0.076 0.000 0.830 143 V CB 0.936 32.757 31.823 -0.003 0.000 1.012 143 V HN 0.471 8.661 8.190 -0.000 0.000 0.452 144 D N 1.913 122.064 120.400 -0.415 0.000 2.819 144 D HA 0.525 5.178 4.640 0.022 0.000 0.232 144 D C -0.140 176.041 176.300 -0.199 0.000 1.160 144 D CA -0.514 53.225 54.000 -0.436 0.000 0.858 144 D CB 1.043 41.215 40.800 -1.046 0.000 1.610 144 D HN 0.684 9.054 8.370 -0.000 0.000 0.481 145 H N 1.108 120.113 119.070 -0.109 0.000 2.677 145 H HA -0.164 4.405 4.556 0.022 0.000 0.321 145 H C -0.737 174.561 175.328 -0.051 0.000 1.171 145 H CA 0.815 56.833 56.048 -0.050 0.000 1.139 145 H CB -1.141 28.555 29.762 -0.110 0.000 1.515 145 H HN 0.294 8.574 8.280 -0.000 0.000 0.423 146 N N 0.835 119.551 118.700 0.027 0.000 2.381 146 N HA 0.336 5.089 4.740 0.022 0.000 0.294 146 N C -0.346 175.193 175.510 0.049 0.000 1.216 146 N CA -0.795 52.266 53.050 0.018 0.000 0.803 146 N CB 2.098 40.565 38.487 -0.034 0.000 1.372 146 N HN 0.445 8.825 8.380 -0.000 0.000 0.500 147 E N 1.384 121.617 120.200 0.056 0.000 2.185 147 E HA 0.400 4.763 4.350 0.022 0.000 0.261 147 E C -1.424 175.216 176.600 0.068 0.000 0.879 147 E CA -0.433 56.007 56.400 0.067 0.000 0.756 147 E CB 0.738 30.494 29.700 0.093 0.000 1.152 147 E HN 0.385 8.745 8.360 -0.000 0.000 0.416 148 L N 6.301 127.503 121.223 -0.036 0.000 2.343 148 L HA 0.613 4.966 4.340 0.022 0.000 0.278 148 L C -0.837 175.897 176.870 -0.225 0.000 0.996 148 L CA -0.947 53.827 54.840 -0.110 0.000 0.831 148 L CB 0.506 42.487 42.059 -0.130 0.000 1.232 148 L HN 0.495 8.725 8.230 -0.000 0.000 0.413 149 F N 1.603 121.192 119.950 -0.602 0.000 2.686 149 F HA 0.992 5.532 4.527 0.021 0.000 0.311 149 F C -0.421 174.843 175.800 -0.894 0.000 1.128 149 F CA -0.706 56.786 58.000 -0.846 0.000 0.946 149 F CB 1.402 39.645 39.000 -1.261 0.000 1.336 149 F HN 0.513 8.813 8.300 -0.000 0.000 0.457 150 A N 0.631 122.875 122.820 -0.961 0.000 5.519 150 A HA 0.958 5.292 4.320 0.022 0.000 0.158 150 A C -1.748 175.231 177.584 -1.008 0.000 0.860 150 A CA -0.329 50.718 52.037 -1.650 0.000 1.134 150 A CB 0.179 18.196 19.000 -1.638 0.000 2.248 150 A HN 2.024 10.174 8.150 -0.000 0.000 1.056 151 A N 0.329 122.773 122.820 -0.626 0.000 2.356 151 A HA 0.655 4.988 4.320 0.022 0.000 0.310 151 A C -0.570 177.052 177.584 0.064 0.000 1.075 151 A CA -0.198 51.811 52.037 -0.046 0.000 0.746 151 A CB 0.497 19.659 19.000 0.270 0.000 1.221 151 A HN 0.725 8.875 8.150 -0.000 0.000 0.443 152 N N 1.877 120.626 118.700 0.082 0.000 2.895 152 N HA 0.231 4.984 4.740 0.022 0.000 0.277 152 N C -0.651 174.978 175.510 0.197 0.000 1.185 152 N CA 0.090 53.202 53.050 0.102 0.000 1.106 152 N CB -0.081 38.447 38.487 0.068 0.000 1.422 152 N HN 0.792 9.172 8.380 -0.000 0.000 0.521 153 H N 0.124 119.260 119.070 0.111 0.000 3.046 153 H HA 0.299 4.868 4.556 0.021 0.000 0.363 153 H C -1.811 173.575 175.328 0.098 0.000 1.203 153 H CA -0.716 55.394 56.048 0.104 0.000 1.169 153 H CB 1.524 31.364 29.762 0.131 0.000 1.851 153 H HN 0.234 8.514 8.280 -0.000 0.000 0.546 154 E N 3.148 122.994 120.200 -0.589 0.000 2.165 154 E HA 0.398 4.761 4.350 0.022 0.000 0.266 154 E C -0.941 175.298 176.600 -0.601 0.000 0.889 154 E CA -0.524 55.621 56.400 -0.425 0.000 0.756 154 E CB 0.740 30.283 29.700 -0.262 0.000 1.131 154 E HN 0.669 9.029 8.360 -0.000 0.000 0.411 155 c N 3.313 121.723 118.600 -0.316 0.000 2.580 155 c HA 0.338 4.922 4.570 0.022 0.000 0.371 155 c C 0.154 174.142 174.090 -0.171 0.000 1.308 155 c CA -0.696 55.552 56.329 -0.135 0.000 2.428 155 c CB 0.211 42.735 42.510 0.023 0.000 2.529 155 c HN 0.690 8.920 8.230 -0.000 0.000 0.657 156 D N 0.275 120.626 120.400 -0.080 0.000 2.313 156 D HA 0.390 5.043 4.640 0.022 0.000 0.247 156 D C 0.901 177.133 176.300 -0.113 0.000 1.094 156 D CA 0.989 54.933 54.000 -0.093 0.000 0.925 156 D CB 0.925 41.706 40.800 -0.032 0.000 1.188 156 D HN 1.021 9.391 8.370 -0.000 0.000 0.430 157 G N 1.421 110.134 108.800 -0.144 0.000 2.160 157 G HA2 -0.253 3.720 3.960 0.022 0.000 0.251 157 G HA3 -0.253 3.720 3.960 0.022 0.000 0.251 157 G C 0.468 175.151 174.900 -0.363 0.000 1.008 157 G CA 0.766 45.775 45.100 -0.151 0.000 0.724 157 G HN 0.700 8.990 8.290 -0.000 0.000 0.514 158 T N -1.470 112.736 114.554 -0.578 0.000 2.909 158 T HA 0.625 4.988 4.350 0.022 0.000 0.286 158 T C -2.320 172.002 174.700 -0.631 0.000 1.002 158 T CA -1.868 59.585 62.100 -1.078 0.000 1.074 158 T CB 2.304 70.527 68.868 -1.074 0.000 0.984 158 T HN 0.007 8.247 8.240 -0.000 0.000 0.495 159 P HA 0.158 4.578 4.420 -0.000 0.000 0.261 159 P C 0.099 177.264 177.300 -0.225 0.000 1.183 159 P CA 0.669 63.604 63.100 -0.275 0.000 0.761 159 P CB 0.045 31.647 31.700 -0.163 0.000 0.785 160 D N 1.920 122.221 120.400 -0.165 0.000 3.059 160 D HA -0.214 4.439 4.640 0.022 0.000 0.213 160 D C -0.127 176.079 176.300 -0.157 0.000 1.144 160 D CA 1.219 55.137 54.000 -0.136 0.000 0.975 160 D CB -2.299 38.434 40.800 -0.111 0.000 1.125 160 D HN 0.603 8.973 8.370 -0.000 0.000 0.412 161 N N -0.490 118.086 118.700 -0.206 0.000 2.716 161 N HA -0.245 4.508 4.740 0.022 0.000 0.250 161 N C -0.051 175.347 175.510 -0.188 0.000 1.033 161 N CA 1.153 54.077 53.050 -0.211 0.000 0.727 161 N CB -0.440 37.950 38.487 -0.161 0.000 0.950 161 N HN 0.379 8.759 8.380 -0.000 0.000 0.541 162 D N -2.646 117.636 120.400 -0.196 0.000 2.475 162 D HA 0.071 4.724 4.640 0.022 0.000 0.306 162 D C 0.545 176.768 176.300 -0.128 0.000 1.304 162 D CA 0.816 54.732 54.000 -0.141 0.000 0.862 162 D CB 0.314 41.047 40.800 -0.112 0.000 1.306 162 D HN 0.317 8.687 8.370 -0.000 0.000 0.494 163 T N -2.869 111.568 114.554 -0.195 0.000 3.176 163 T HA 0.155 4.518 4.350 0.022 0.000 0.263 163 T C 1.501 176.108 174.700 -0.154 0.000 1.021 163 T CA 0.015 62.028 62.100 -0.145 0.000 0.905 163 T CB 0.274 69.062 68.868 -0.134 0.000 1.057 163 T HN -0.220 8.020 8.240 -0.000 0.000 0.558 164 T N 1.869 116.290 114.554 -0.222 0.000 2.759 164 T HA 0.109 4.472 4.350 0.022 0.000 0.269 164 T C -0.235 174.191 174.700 -0.456 0.000 1.042 164 T CA 1.221 63.153 62.100 -0.280 0.000 1.140 164 T CB -0.285 68.454 68.868 -0.216 0.000 0.864 164 T HN 0.475 8.715 8.240 -0.000 0.000 0.455 165 F N -0.446 119.532 119.950 0.047 0.000 2.619 165 F HA 0.480 5.019 4.527 0.021 0.000 0.308 165 F C 0.038 175.843 175.800 0.009 0.000 1.097 165 F CA -1.463 56.558 58.000 0.034 0.000 0.953 165 F CB 1.627 40.618 39.000 -0.014 0.000 1.287 165 F HN -0.294 8.006 8.300 -0.000 0.000 0.446 166 E N 0.293 120.633 120.200 0.234 0.000 3.601 166 E HA 0.477 4.840 4.350 0.022 0.000 0.273 166 E C -0.381 176.276 176.600 0.094 0.000 1.368 166 E CA -0.185 56.289 56.400 0.124 0.000 1.286 166 E CB 0.957 30.718 29.700 0.102 0.000 1.383 166 E HN 0.560 8.920 8.360 -0.000 0.000 0.746 167 S N -0.478 115.262 115.700 0.066 0.000 2.645 167 S HA 0.383 4.866 4.470 0.022 0.000 0.266 167 S C 0.794 175.416 174.600 0.037 0.000 1.258 167 S CA -0.061 58.169 58.200 0.050 0.000 0.990 167 S CB 1.436 64.670 63.200 0.056 0.000 0.967 167 S HN 0.578 8.888 8.310 -0.000 0.000 0.556 168 A N 0.860 123.695 122.820 0.026 0.000 1.861 168 A HA 0.311 4.645 4.320 0.022 0.000 0.212 168 A C 0.439 178.053 177.584 0.049 0.000 1.199 168 A CA 0.645 52.685 52.037 0.005 0.000 0.613 168 A CB -0.032 18.965 19.000 -0.004 0.000 0.846 168 A HN 0.599 8.749 8.150 -0.000 0.000 0.446 169 V N 1.806 121.776 119.914 0.093 0.000 2.538 169 V HA 0.254 4.387 4.120 0.022 0.000 0.265 169 V C -1.883 174.294 176.094 0.139 0.000 0.977 169 V CA -0.952 61.420 62.300 0.120 0.000 0.852 169 V CB 1.024 32.937 31.823 0.151 0.000 1.058 169 V HN 0.285 8.475 8.190 -0.000 0.000 0.462 170 D N 3.816 124.284 120.400 0.113 0.000 2.277 170 D HA 0.590 5.243 4.640 0.022 0.000 0.249 170 D C -0.277 176.085 176.300 0.103 0.000 1.134 170 D CA 0.243 54.304 54.000 0.101 0.000 0.863 170 D CB 1.937 42.776 40.800 0.066 0.000 1.143 170 D HN 0.385 8.755 8.370 -0.000 0.000 0.458 171 I N 3.058 123.695 120.570 0.112 0.000 2.436 171 I HA 0.360 4.543 4.170 0.022 0.000 0.289 171 I C 0.174 176.341 176.117 0.083 0.000 1.010 171 I CA -0.682 60.678 61.300 0.101 0.000 1.098 171 I CB 1.358 39.431 38.000 0.120 0.000 1.266 171 I HN 0.236 8.446 8.210 -0.000 0.000 0.434 172 K N 3.833 124.271 120.400 0.064 0.000 2.533 172 K HA 0.846 5.179 4.320 0.022 0.000 0.284 172 K C 0.036 176.661 176.600 0.042 0.000 1.025 172 K CA -0.660 55.657 56.287 0.050 0.000 0.900 172 K CB 1.693 34.215 32.500 0.036 0.000 1.519 172 K HN 0.708 8.958 8.250 -0.000 0.000 0.432 173 G N 0.386 109.206 108.800 0.034 0.000 2.569 173 G HA2 -0.229 3.744 3.960 0.022 0.000 0.259 173 G HA3 -0.229 3.744 3.960 0.022 0.000 0.259 173 G C 0.318 175.235 174.900 0.029 0.000 1.263 173 G CA 0.093 45.210 45.100 0.028 0.000 0.928 173 G HN 1.240 9.530 8.290 -0.000 0.000 0.572 174 A N -0.307 122.529 122.820 0.027 0.000 2.604 174 A HA 0.554 4.887 4.320 0.022 0.000 0.248 174 A C 1.176 178.778 177.584 0.030 0.000 1.466 174 A CA 1.242 53.294 52.037 0.025 0.000 1.222 174 A CB -0.578 18.435 19.000 0.021 0.000 0.945 174 A HN 1.483 9.633 8.150 -0.000 0.000 0.600 175 S N 1.650 117.372 115.700 0.036 0.000 4.120 175 S HA 0.047 4.530 4.470 0.022 0.000 0.196 175 S C 1.010 175.629 174.600 0.031 0.000 1.447 175 S CA -0.588 57.637 58.200 0.042 0.000 0.939 175 S CB -0.335 62.897 63.200 0.052 0.000 1.496 175 S HN 0.660 8.970 8.310 -0.000 0.000 0.460 176 N N 2.244 120.957 118.700 0.022 0.000 2.192 176 N HA -0.097 4.656 4.740 0.022 0.000 0.188 176 N C 0.832 176.336 175.510 -0.010 0.000 1.013 176 N CA 1.144 54.196 53.050 0.002 0.000 0.863 176 N CB -0.109 38.380 38.487 0.003 0.000 0.990 176 N HN 0.645 9.025 8.380 -0.000 0.000 0.430 177 T N -1.761 112.807 114.554 0.023 0.000 2.937 177 T HA 0.670 5.033 4.350 0.022 0.000 0.297 177 T C -0.571 174.167 174.700 0.062 0.000 0.991 177 T CA -0.818 61.310 62.100 0.048 0.000 0.990 177 T CB 1.904 70.823 68.868 0.084 0.000 0.991 177 T HN -0.206 8.034 8.240 -0.000 0.000 0.440 178 V N 2.255 122.208 119.914 0.065 0.000 2.971 178 V HA 0.756 4.889 4.120 0.022 0.000 0.309 178 V C -0.315 175.793 176.094 0.022 0.000 1.130 178 V CA -0.840 61.488 62.300 0.047 0.000 0.964 178 V CB 2.561 34.395 31.823 0.020 0.000 1.029 178 V HN 1.072 9.262 8.190 -0.000 0.000 0.427 179 T N 2.586 117.165 114.554 0.041 0.000 2.841 179 T HA 0.620 4.983 4.350 0.022 0.000 0.285 179 T C -0.816 173.946 174.700 0.102 0.000 0.991 179 T CA -0.424 61.698 62.100 0.036 0.000 0.966 179 T CB 1.681 70.548 68.868 -0.001 0.000 0.962 179 T HN 0.408 8.648 8.240 -0.000 0.000 0.438 180 V N 4.010 123.874 119.914 -0.082 0.000 2.349 180 V HA 0.699 4.832 4.120 0.022 0.000 0.284 180 V C -0.166 175.841 176.094 -0.144 0.000 1.014 180 V CA -0.673 61.581 62.300 -0.076 0.000 0.826 180 V CB 1.074 32.821 31.823 -0.126 0.000 1.009 180 V HN 1.061 9.251 8.190 -0.000 0.000 0.431 181 S N 2.777 118.376 115.700 -0.168 0.000 2.564 181 S HA 0.715 5.198 4.470 0.022 0.000 0.274 181 S C -0.498 173.944 174.600 -0.262 0.000 1.124 181 S CA -0.744 57.216 58.200 -0.400 0.000 0.869 181 S CB 1.170 63.972 63.200 -0.664 0.000 1.105 181 S HN 0.701 9.011 8.310 -0.000 0.000 0.472 182 Y N -0.414 119.659 120.300 -0.378 0.000 3.617 182 Y HA -0.223 4.341 4.550 0.023 0.000 0.215 182 Y C 0.119 175.818 175.900 -0.336 0.000 1.178 182 Y CA 0.642 58.473 58.100 -0.448 0.000 1.517 182 Y CB -2.056 35.755 38.460 -1.082 0.000 1.457 182 Y HN 0.695 8.975 8.280 -0.000 0.000 0.615 183 N N 0.267 118.876 118.700 -0.152 0.000 2.473 183 N HA 0.203 4.956 4.740 0.022 0.000 0.291 183 N C -0.853 174.646 175.510 -0.018 0.000 1.083 183 N CA -0.562 52.439 53.050 -0.081 0.000 0.951 183 N CB 1.074 39.490 38.487 -0.118 0.000 1.164 183 N HN 0.134 8.514 8.380 -0.000 0.000 0.480 184 Y N 2.907 123.152 120.300 -0.092 0.000 2.491 184 Y HA 0.448 5.011 4.550 0.021 0.000 0.334 184 Y C -0.720 175.137 175.900 -0.071 0.000 0.969 184 Y CA -1.224 56.823 58.100 -0.088 0.000 1.241 184 Y CB -0.029 38.428 38.460 -0.006 0.000 1.105 184 Y HN 0.373 8.653 8.280 -0.000 0.000 0.503 185 I N 8.069 128.568 120.570 -0.118 0.000 2.355 185 I HA 0.307 4.490 4.170 0.022 0.000 0.288 185 I C -1.002 175.016 176.117 -0.164 0.000 0.999 185 I CA -0.595 60.588 61.300 -0.196 0.000 1.163 185 I CB 0.870 38.785 38.000 -0.142 0.000 1.316 185 I HN 0.676 8.886 8.210 -0.000 0.000 0.454 186 H N 2.486 121.340 119.070 -0.361 0.000 2.930 186 H HA 0.650 5.218 4.556 0.021 0.000 0.371 186 H C 0.227 175.446 175.328 -0.182 0.000 1.169 186 H CA -0.862 55.011 56.048 -0.292 0.000 1.157 186 H CB 1.692 31.162 29.762 -0.485 0.000 1.789 186 H HN 0.727 9.007 8.280 -0.000 0.000 0.547 187 G N 0.827 109.611 108.800 -0.027 0.000 2.298 187 G HA2 -0.162 3.811 3.960 0.022 0.000 0.287 187 G HA3 -0.162 3.811 3.960 0.022 0.000 0.287 187 G C -0.678 174.117 174.900 -0.174 0.000 1.075 187 G CA 0.251 45.306 45.100 -0.075 0.000 0.960 187 G HN 0.673 8.963 8.290 -0.000 0.000 0.502 188 V N 0.256 120.109 119.914 -0.103 0.000 2.483 188 V HA 0.422 4.555 4.120 0.022 0.000 0.297 188 V C 1.313 177.399 176.094 -0.014 0.000 1.027 188 V CA -0.104 62.134 62.300 -0.102 0.000 0.855 188 V CB 1.699 33.462 31.823 -0.100 0.000 0.995 188 V HN 0.398 8.588 8.190 -0.000 0.000 0.424 189 K N 3.349 123.757 120.400 0.013 0.000 2.007 189 K HA 0.068 4.401 4.320 0.022 0.000 0.206 189 K C 0.384 177.000 176.600 0.027 0.000 1.047 189 K CA 1.133 57.439 56.287 0.032 0.000 0.937 189 K CB 0.203 32.730 32.500 0.046 0.000 0.718 189 K HN 0.531 8.781 8.250 -0.000 0.000 0.438 190 K N 1.219 121.638 120.400 0.030 0.000 2.414 190 K HA 0.155 4.489 4.320 0.022 0.000 0.251 190 K C 0.573 177.197 176.600 0.041 0.000 1.037 190 K CA -0.444 55.864 56.287 0.033 0.000 0.980 190 K CB 2.056 34.576 32.500 0.032 0.000 1.280 190 K HN -0.126 8.124 8.250 -0.000 0.000 0.451 191 V N 1.315 121.260 119.914 0.051 0.000 2.255 191 V HA -0.102 4.031 4.120 0.022 0.000 0.247 191 V C 1.011 177.162 176.094 0.095 0.000 1.051 191 V CA 1.635 63.984 62.300 0.082 0.000 1.018 191 V CB -0.335 31.563 31.823 0.125 0.000 0.641 191 V HN 0.955 9.145 8.190 -0.000 0.000 0.445 192 G N -0.975 107.879 108.800 0.090 0.000 2.402 192 G HA2 0.476 4.449 3.960 0.022 0.000 0.301 192 G HA3 0.476 4.449 3.960 0.022 0.000 0.301 192 G C -1.572 173.393 174.900 0.110 0.000 1.615 192 G CA -0.650 44.517 45.100 0.110 0.000 0.889 192 G HN 0.302 8.592 8.290 -0.000 0.000 0.647 193 L N -0.491 120.797 121.223 0.107 0.000 2.416 193 L HA 0.953 5.306 4.340 0.022 0.000 0.263 193 L C -0.083 176.873 176.870 0.143 0.000 1.065 193 L CA -1.058 53.847 54.840 0.108 0.000 0.798 193 L CB 1.467 43.575 42.059 0.082 0.000 1.267 193 L HN 0.415 8.645 8.230 -0.000 0.000 0.467 194 D N 0.036 120.520 120.400 0.140 0.000 2.468 194 D HA 0.541 5.194 4.640 0.022 0.000 0.272 194 D C -0.372 175.996 176.300 0.113 0.000 1.221 194 D CA 0.389 54.483 54.000 0.157 0.000 0.860 194 D CB 0.451 41.381 40.800 0.216 0.000 1.190 194 D HN 1.094 9.464 8.370 -0.000 0.000 0.509 195 G N 0.992 109.845 108.800 0.088 0.000 3.326 195 G HA2 0.026 3.999 3.960 0.022 0.000 0.681 195 G HA3 0.026 3.999 3.960 0.022 0.000 0.681 195 G C 0.677 175.611 174.900 0.057 0.000 1.255 195 G CA -0.116 45.024 45.100 0.066 0.000 0.976 195 G HN 0.526 8.816 8.290 -0.000 0.000 0.563 196 S N -0.471 115.254 115.700 0.041 0.000 2.527 196 S HA 0.534 5.017 4.470 0.022 0.000 0.222 196 S C 1.246 175.862 174.600 0.026 0.000 0.985 196 S CA 1.429 59.647 58.200 0.030 0.000 0.921 196 S CB 0.037 63.248 63.200 0.018 0.000 0.772 196 S HN 2.382 10.692 8.310 -0.000 0.000 0.529 197 S N -0.652 115.065 115.700 0.029 0.000 2.727 197 S HA 0.506 4.989 4.470 0.022 0.000 0.278 197 S C 0.448 175.065 174.600 0.029 0.000 1.186 197 S CA -0.166 58.049 58.200 0.026 0.000 0.836 197 S CB 0.664 63.873 63.200 0.015 0.000 1.186 197 S HN -0.027 8.283 8.310 -0.000 0.000 0.499 198 S N 1.277 116.992 115.700 0.024 0.000 2.399 198 S HA -0.068 4.415 4.470 0.022 0.000 0.231 198 S C 1.857 176.466 174.600 0.015 0.000 1.022 198 S CA 1.602 59.815 58.200 0.021 0.000 0.983 198 S CB -0.630 62.578 63.200 0.014 0.000 0.803 198 S HN 0.928 9.238 8.310 -0.000 0.000 0.480 199 S N 0.682 116.389 115.700 0.012 0.000 2.501 199 S HA 0.065 4.548 4.470 0.022 0.000 0.220 199 S C 0.648 175.255 174.600 0.012 0.000 0.997 199 S CA 0.149 58.354 58.200 0.009 0.000 0.919 199 S CB -0.197 63.006 63.200 0.005 0.000 0.778 199 S HN 0.295 8.605 8.310 -0.000 0.000 0.523 200 D N 3.582 123.993 120.400 0.018 0.000 2.845 200 D HA 0.187 4.840 4.640 0.022 0.000 0.235 200 D C 0.131 176.448 176.300 0.029 0.000 1.158 200 D CA -0.024 53.989 54.000 0.022 0.000 0.990 200 D CB -0.278 40.537 40.800 0.025 0.000 1.094 200 D HN 0.490 8.860 8.370 -0.000 0.000 0.486 201 T N -1.848 112.720 114.554 0.024 0.000 2.934 201 T HA 0.794 5.157 4.350 0.022 0.000 0.283 201 T C 0.735 175.448 174.700 0.022 0.000 1.005 201 T CA -0.064 62.052 62.100 0.027 0.000 1.041 201 T CB 2.040 70.921 68.868 0.020 0.000 1.042 201 T HN 0.324 8.564 8.240 -0.000 0.000 0.505 202 G N 0.891 109.706 108.800 0.026 0.000 2.280 202 G HA2 0.332 4.305 3.960 0.022 0.000 0.277 202 G HA3 0.332 4.305 3.960 0.022 0.000 0.277 202 G C -0.982 173.925 174.900 0.012 0.000 1.288 202 G CA -0.487 44.620 45.100 0.011 0.000 1.075 202 G HN 1.053 9.343 8.290 -0.000 0.000 0.480 203 R N -1.578 118.914 120.500 -0.013 0.000 3.337 203 R HA -0.138 4.215 4.340 0.022 0.000 0.490 203 R C -0.779 175.469 176.300 -0.087 0.000 0.830 203 R CA 0.842 56.924 56.100 -0.030 0.000 1.485 203 R CB -1.039 29.269 30.300 0.014 0.000 2.108 203 R HN 0.851 9.120 8.270 -0.000 0.000 0.519 204 N N 0.902 119.490 118.700 -0.187 0.000 2.491 204 N HA 0.510 5.263 4.740 0.022 0.000 0.274 204 N C -1.000 174.348 175.510 -0.270 0.000 1.023 204 N CA -0.559 52.205 53.050 -0.477 0.000 0.902 204 N CB 1.368 39.230 38.487 -1.042 0.000 1.267 204 N HN 0.229 8.609 8.380 -0.000 0.000 0.503 205 I N 1.133 121.725 120.570 0.036 0.000 2.569 205 I HA 0.395 4.579 4.170 0.022 0.000 0.296 205 I C -0.304 176.029 176.117 0.361 0.000 1.028 205 I CA -0.633 60.766 61.300 0.166 0.000 1.082 205 I CB 2.309 40.340 38.000 0.051 0.000 1.264 205 I HN 0.286 8.496 8.210 -0.000 0.000 0.429 206 T N 4.342 119.013 114.554 0.195 0.000 2.807 206 T HA 0.520 4.883 4.350 0.022 0.000 0.279 206 T C -1.132 173.507 174.700 -0.102 0.000 0.993 206 T CA -0.439 61.770 62.100 0.182 0.000 0.970 206 T CB 0.657 69.590 68.868 0.108 0.000 0.950 206 T HN 0.186 8.426 8.240 -0.000 0.000 0.441 207 Y N 3.295 123.656 120.300 0.101 0.000 2.345 207 Y HA 0.487 5.051 4.550 0.024 0.000 0.331 207 Y C 0.402 176.225 175.900 -0.130 0.000 0.959 207 Y CA -0.990 57.128 58.100 0.029 0.000 1.204 207 Y CB 0.853 39.392 38.460 0.132 0.000 1.135 207 Y HN 0.822 9.102 8.280 -0.000 0.000 0.477 208 H N -1.397 117.525 119.070 -0.247 0.000 2.894 208 H HA 0.508 5.077 4.556 0.021 0.000 0.367 208 H C -0.674 174.366 175.328 -0.481 0.000 1.144 208 H CA -1.665 54.014 56.048 -0.616 0.000 1.180 208 H CB 0.905 29.944 29.762 -1.206 0.000 1.758 208 H HN 0.675 8.955 8.280 -0.000 0.000 0.541 209 H N -0.395 118.379 119.070 -0.492 0.000 2.899 209 H HA -0.191 4.378 4.556 0.022 0.000 0.282 209 H C -0.605 174.380 175.328 -0.572 0.000 1.198 209 H CA 0.957 56.611 56.048 -0.657 0.000 1.140 209 H CB -1.527 27.418 29.762 -1.361 0.000 1.317 209 H HN 0.739 9.019 8.280 -0.000 0.000 0.375 210 N N 0.577 119.065 118.700 -0.354 0.000 2.509 210 N HA 0.189 4.942 4.740 0.022 0.000 0.287 210 N C -0.552 174.768 175.510 -0.317 0.000 1.121 210 N CA -0.351 52.471 53.050 -0.380 0.000 0.977 210 N CB 1.163 39.326 38.487 -0.539 0.000 1.167 210 N HN 0.163 8.543 8.380 -0.000 0.000 0.476 211 Y N 2.813 122.872 120.300 -0.402 0.000 2.402 211 Y HA 0.332 4.894 4.550 0.021 0.000 0.332 211 Y C -1.444 174.370 175.900 -0.143 0.000 0.960 211 Y CA -1.448 56.520 58.100 -0.221 0.000 1.228 211 Y CB -0.260 38.100 38.460 -0.166 0.000 1.120 211 Y HN 0.362 8.642 8.280 -0.000 0.000 0.491 212 Y N 4.604 124.976 120.300 0.119 0.000 2.330 212 Y HA 0.421 4.985 4.550 0.023 0.000 0.336 212 Y C 0.119 176.040 175.900 0.034 0.000 1.036 212 Y CA -0.588 57.533 58.100 0.035 0.000 1.125 212 Y CB 1.412 39.918 38.460 0.077 0.000 1.194 212 Y HN 0.619 8.899 8.280 -0.000 0.000 0.469 213 N N 2.516 121.285 118.700 0.115 0.000 2.478 213 N HA 0.227 4.980 4.740 0.022 0.000 0.291 213 N C -1.780 173.787 175.510 0.096 0.000 1.090 213 N CA -0.517 52.587 53.050 0.090 0.000 0.911 213 N CB 1.044 39.504 38.487 -0.046 0.000 1.546 213 N HN 0.614 8.994 8.380 -0.000 0.000 0.500 214 D N 1.792 122.255 120.400 0.104 0.000 2.990 214 D HA -0.147 4.506 4.640 0.022 0.000 0.245 214 D C -1.336 175.008 176.300 0.072 0.000 1.120 214 D CA 1.234 55.283 54.000 0.082 0.000 0.838 214 D CB -0.960 39.885 40.800 0.075 0.000 1.000 214 D HN 0.393 8.763 8.370 -0.000 0.000 0.420 215 V N -0.393 119.567 119.914 0.077 0.000 2.876 215 V HA 0.652 4.785 4.120 0.022 0.000 0.312 215 V C 0.987 177.105 176.094 0.041 0.000 1.085 215 V CA -0.472 61.866 62.300 0.063 0.000 0.945 215 V CB 1.946 33.831 31.823 0.103 0.000 1.017 215 V HN 0.134 8.324 8.190 -0.000 0.000 0.428 216 N N 2.150 120.867 118.700 0.029 0.000 2.278 216 N HA 0.490 5.243 4.740 0.022 0.000 0.181 216 N C 0.351 175.865 175.510 0.007 0.000 1.023 216 N CA 1.329 54.389 53.050 0.017 0.000 0.862 216 N CB 0.383 38.880 38.487 0.018 0.000 1.003 216 N HN 1.266 9.646 8.380 -0.000 0.000 0.431 217 A N -1.298 121.528 122.820 0.011 0.000 2.493 217 A HA 0.679 5.012 4.320 0.022 0.000 0.300 217 A C -1.150 176.437 177.584 0.005 0.000 1.152 217 A CA -0.670 51.372 52.037 0.009 0.000 0.643 217 A CB 0.669 19.698 19.000 0.049 0.000 1.316 217 A HN 0.252 8.402 8.150 -0.000 0.000 0.469 218 R N -1.451 119.053 120.500 0.005 0.000 2.983 218 R HA -0.140 4.213 4.340 0.022 0.000 0.272 218 R C -1.247 175.024 176.300 -0.049 0.000 0.926 218 R CA 0.343 56.445 56.100 0.004 0.000 0.667 218 R CB -1.909 28.415 30.300 0.040 0.000 1.540 218 R HN 0.413 8.683 8.270 -0.000 0.000 0.467 219 L N 0.982 122.125 121.223 -0.133 0.000 3.141 219 L HA 0.305 4.658 4.340 0.022 0.000 0.263 219 L C -1.618 175.031 176.870 -0.369 0.000 1.312 219 L CA -1.061 53.621 54.840 -0.264 0.000 1.012 219 L CB 0.358 42.187 42.059 -0.383 0.000 1.408 219 L HN 0.273 8.503 8.230 -0.000 0.000 0.559 220 P HA 0.234 4.654 4.420 -0.000 0.000 0.307 220 P C -0.676 176.616 177.300 -0.013 0.000 1.307 220 P CA -0.832 62.203 63.100 -0.109 0.000 0.814 220 P CB 1.898 33.593 31.700 -0.009 0.000 1.311 221 L N 0.685 121.937 121.223 0.047 0.000 2.282 221 L HA 0.282 4.635 4.340 0.022 0.000 0.287 221 L C 0.308 177.238 176.870 0.100 0.000 1.075 221 L CA -0.386 54.501 54.840 0.079 0.000 0.839 221 L CB -0.116 42.000 42.059 0.095 0.000 1.219 221 L HN 0.353 8.583 8.230 -0.000 0.000 0.434 222 Q N 5.119 124.985 119.800 0.110 0.000 2.256 222 Q HA 0.337 4.690 4.340 0.022 0.000 0.254 222 Q C -0.881 175.192 176.000 0.122 0.000 0.916 222 Q CA -0.664 55.219 55.803 0.134 0.000 0.932 222 Q CB 1.101 29.935 28.738 0.160 0.000 1.207 222 Q HN 0.627 8.897 8.270 -0.000 0.000 0.426 223 R N 2.888 123.453 120.500 0.109 0.000 2.312 223 R HA 0.433 4.786 4.340 0.022 0.000 0.310 223 R C -0.054 176.292 176.300 0.076 0.000 1.064 223 R CA 0.600 56.752 56.100 0.086 0.000 0.983 223 R CB 1.231 31.574 30.300 0.071 0.000 1.139 223 R HN 1.024 9.294 8.270 -0.000 0.000 0.536 224 G N 1.611 110.457 108.800 0.077 0.000 2.645 224 G HA2 0.011 3.985 3.960 0.022 0.000 0.246 224 G HA3 0.011 3.985 3.960 0.022 0.000 0.246 224 G C 0.432 175.376 174.900 0.073 0.000 1.322 224 G CA -0.412 44.725 45.100 0.061 0.000 0.898 224 G HN 1.068 9.358 8.290 -0.000 0.000 0.573 225 G N -2.009 106.817 108.800 0.043 0.000 2.645 225 G HA2 0.159 4.132 3.960 0.022 0.000 0.246 225 G HA3 0.159 4.132 3.960 0.022 0.000 0.246 225 G C -0.056 174.885 174.900 0.068 0.000 1.322 225 G CA 0.351 45.470 45.100 0.032 0.000 0.898 225 G HN 1.685 9.975 8.290 -0.000 0.000 0.573 226 L N -0.994 120.271 121.223 0.070 0.000 2.362 226 L HA 0.746 5.099 4.340 0.022 0.000 0.271 226 L C -0.140 176.943 176.870 0.355 0.000 1.002 226 L CA -1.169 53.799 54.840 0.214 0.000 0.818 226 L CB 2.238 44.327 42.059 0.050 0.000 1.298 226 L HN 0.521 8.751 8.230 -0.000 0.000 0.420 227 V N 1.190 121.438 119.914 0.558 0.000 2.623 227 V HA 0.301 4.434 4.120 0.022 0.000 0.304 227 V C -0.962 175.455 176.094 0.538 0.000 1.054 227 V CA -0.493 62.126 62.300 0.532 0.000 0.882 227 V CB 2.025 34.107 31.823 0.432 0.000 1.002 227 V HN 0.722 8.912 8.190 -0.000 0.000 0.424 228 H N 4.193 123.539 119.070 0.460 0.000 2.595 228 H HA 0.750 5.319 4.556 0.021 0.000 0.313 228 H C -0.411 175.113 175.328 0.325 0.000 1.023 228 H CA -0.537 55.664 56.048 0.256 0.000 1.218 228 H CB 1.446 31.393 29.762 0.308 0.000 1.403 228 H HN 0.789 9.069 8.280 -0.000 0.000 0.477 229 A N 6.191 129.177 122.820 0.277 0.000 2.285 229 A HA 0.385 4.718 4.320 0.022 0.000 0.310 229 A C -1.611 176.056 177.584 0.138 0.000 1.266 229 A CA -0.635 51.522 52.037 0.200 0.000 0.832 229 A CB -0.091 19.074 19.000 0.274 0.000 1.163 229 A HN 0.737 8.887 8.150 -0.000 0.000 0.499 230 Y N -0.139 120.070 120.300 -0.151 0.000 2.512 230 Y HA 0.591 5.154 4.550 0.021 0.000 0.348 230 Y C 0.153 175.935 175.900 -0.197 0.000 0.990 230 Y CA -1.205 56.812 58.100 -0.138 0.000 1.033 230 Y CB 1.015 39.352 38.460 -0.204 0.000 1.259 230 Y HN 0.768 9.048 8.280 -0.000 0.000 0.461 231 N N 1.358 120.015 118.700 -0.071 0.000 2.725 231 N HA -0.261 4.492 4.740 0.022 0.000 0.249 231 N C -1.181 174.080 175.510 -0.414 0.000 1.103 231 N CA 0.564 53.421 53.050 -0.321 0.000 0.707 231 N CB -0.629 37.415 38.487 -0.739 0.000 1.043 231 N HN 0.695 9.075 8.380 -0.000 0.000 0.553 232 N N 0.871 119.380 118.700 -0.319 0.000 2.492 232 N HA 0.401 5.154 4.740 0.022 0.000 0.289 232 N C -0.597 174.639 175.510 -0.457 0.000 1.133 232 N CA -0.345 52.444 53.050 -0.436 0.000 0.961 232 N CB 1.730 39.842 38.487 -0.625 0.000 1.186 232 N HN 0.080 8.460 8.380 -0.000 0.000 0.493 233 L N 2.701 123.705 121.223 -0.366 0.000 2.295 233 L HA 0.381 4.734 4.340 0.022 0.000 0.281 233 L C -1.625 175.208 176.870 -0.062 0.000 1.018 233 L CA -0.609 54.130 54.840 -0.168 0.000 0.841 233 L CB -0.053 41.899 42.059 -0.178 0.000 1.218 233 L HN 0.355 8.585 8.230 -0.000 0.000 0.424 234 Y N 3.319 123.651 120.300 0.054 0.000 2.417 234 Y HA 0.625 5.189 4.550 0.023 0.000 0.336 234 Y C 0.588 176.578 175.900 0.151 0.000 0.961 234 Y CA -0.581 57.557 58.100 0.064 0.000 1.215 234 Y CB 1.374 39.716 38.460 -0.196 0.000 1.120 234 Y HN 0.646 8.926 8.280 -0.000 0.000 0.499 235 T N 0.125 114.882 114.554 0.338 0.000 2.893 235 T HA 0.390 4.754 4.350 0.022 0.000 0.293 235 T C -0.429 174.393 174.700 0.203 0.000 1.027 235 T CA -1.148 61.115 62.100 0.272 0.000 0.988 235 T CB 1.286 70.325 68.868 0.285 0.000 1.043 235 T HN 0.632 8.872 8.240 -0.000 0.000 0.461 236 N N 1.116 119.905 118.700 0.148 0.000 2.708 236 N HA -0.125 4.628 4.740 0.022 0.000 0.255 236 N C -0.815 174.743 175.510 0.080 0.000 1.046 236 N CA 0.381 53.491 53.050 0.100 0.000 0.715 236 N CB -1.096 37.452 38.487 0.101 0.000 0.895 236 N HN 0.781 9.161 8.380 -0.000 0.000 0.545 237 I N 1.022 121.624 120.570 0.054 0.000 2.304 237 I HA 0.065 4.248 4.170 0.022 0.000 0.291 237 I C 1.846 177.951 176.117 -0.020 0.000 1.018 237 I CA -0.230 61.080 61.300 0.017 0.000 1.260 237 I CB 1.122 39.114 38.000 -0.014 0.000 1.390 237 I HN 0.191 8.401 8.210 -0.000 0.000 0.475 238 T N 0.622 115.173 114.554 -0.006 0.000 3.100 238 T HA 0.163 4.526 4.350 0.022 0.000 0.253 238 T C 1.175 175.860 174.700 -0.027 0.000 1.118 238 T CA 0.531 62.623 62.100 -0.013 0.000 1.058 238 T CB 0.401 69.275 68.868 0.011 0.000 0.953 238 T HN 0.716 8.956 8.240 -0.000 0.000 0.515 239 G N 1.040 109.821 108.800 -0.032 0.000 2.682 239 G HA2 0.505 4.479 3.960 0.022 0.000 0.200 239 G HA3 0.505 4.479 3.960 0.022 0.000 0.200 239 G C 0.102 174.972 174.900 -0.050 0.000 1.179 239 G CA 0.313 45.399 45.100 -0.023 0.000 0.718 239 G HN 0.875 9.165 8.290 -0.000 0.000 0.685 240 S N -1.606 114.058 115.700 -0.059 0.000 2.578 240 S HA 0.680 5.163 4.470 0.022 0.000 0.272 240 S C 0.141 174.669 174.600 -0.119 0.000 1.145 240 S CA 0.107 58.245 58.200 -0.104 0.000 0.835 240 S CB 1.324 64.481 63.200 -0.071 0.000 1.104 240 S HN 0.884 9.194 8.310 -0.000 0.000 0.458 241 G N 0.255 108.950 108.800 -0.175 0.000 2.968 241 G HA2 0.505 4.478 3.960 0.022 0.000 0.206 241 G HA3 0.505 4.478 3.960 0.022 0.000 0.206 241 G C -0.657 174.126 174.900 -0.195 0.000 2.051 241 G CA -0.741 44.230 45.100 -0.217 0.000 0.773 241 G HN 0.641 8.931 8.290 -0.000 0.000 0.741 242 L N 1.967 123.054 121.223 -0.226 0.000 2.369 242 L HA 0.302 4.655 4.340 0.022 0.000 0.279 242 L C -0.182 176.628 176.870 -0.099 0.000 1.108 242 L CA -0.252 54.495 54.840 -0.156 0.000 0.852 242 L CB 0.715 42.684 42.059 -0.150 0.000 1.169 242 L HN 0.242 8.472 8.230 -0.000 0.000 0.452 243 N N 3.153 121.837 118.700 -0.027 0.000 2.621 243 N HA 0.237 4.990 4.740 0.022 0.000 0.237 243 N C -1.187 174.387 175.510 0.105 0.000 0.997 243 N CA -0.368 52.697 53.050 0.026 0.000 0.918 243 N CB 1.207 39.706 38.487 0.020 0.000 1.122 243 N HN 0.215 8.595 8.380 -0.000 0.000 0.510 244 V N 5.136 125.164 119.914 0.189 0.000 2.353 244 V HA 0.427 4.560 4.120 0.022 0.000 0.264 244 V C 0.748 176.975 176.094 0.223 0.000 1.049 244 V CA -0.392 62.050 62.300 0.238 0.000 0.896 244 V CB -0.080 31.958 31.823 0.359 0.000 1.025 244 V HN 0.454 8.644 8.190 -0.000 0.000 0.475 245 R N 2.835 123.434 120.500 0.165 0.000 2.960 245 R HA 0.542 4.895 4.340 0.022 0.000 0.249 245 R C -0.456 175.899 176.300 0.092 0.000 1.192 245 R CA -1.014 55.168 56.100 0.137 0.000 1.035 245 R CB 0.690 31.065 30.300 0.124 0.000 1.234 245 R HN 0.411 8.681 8.270 -0.000 0.000 0.493 246 Q N 1.684 121.514 119.800 0.049 0.000 2.435 246 Q HA -0.247 4.106 4.340 0.022 0.000 0.312 246 Q C -0.720 175.290 176.000 0.018 0.000 1.333 246 Q CA 0.721 56.534 55.803 0.017 0.000 0.883 246 Q CB -1.743 27.011 28.738 0.027 0.000 1.170 246 Q HN 0.869 9.139 8.270 -0.000 0.000 0.443 247 N N -2.929 115.781 118.700 0.016 0.000 2.741 247 N HA -0.186 4.567 4.740 0.022 0.000 0.250 247 N C 0.556 176.090 175.510 0.039 0.000 1.115 247 N CA 1.341 54.399 53.050 0.014 0.000 0.724 247 N CB -1.213 37.266 38.487 -0.013 0.000 1.090 247 N HN 0.619 8.999 8.380 -0.000 0.000 0.558 248 G N -0.081 108.764 108.800 0.076 0.000 2.636 248 G HA2 0.338 4.311 3.960 0.022 0.000 0.246 248 G HA3 0.338 4.311 3.960 0.022 0.000 0.246 248 G C -0.039 174.943 174.900 0.137 0.000 1.216 248 G CA -0.163 45.002 45.100 0.107 0.000 0.854 248 G HN 0.231 8.521 8.290 -0.000 0.000 0.572 249 Q N -0.757 119.155 119.800 0.186 0.000 2.353 249 Q HA 0.594 4.947 4.340 0.022 0.000 0.268 249 Q C -0.531 175.750 176.000 0.468 0.000 1.045 249 Q CA -0.679 55.291 55.803 0.278 0.000 0.811 249 Q CB 2.373 31.238 28.738 0.212 0.000 1.305 249 Q HN 0.709 8.979 8.270 -0.000 0.000 0.447 250 A N 2.212 125.290 122.820 0.429 0.000 2.414 250 A HA 0.694 5.027 4.320 0.022 0.000 0.306 250 A C -1.745 175.870 177.584 0.052 0.000 1.054 250 A CA -0.576 51.647 52.037 0.310 0.000 0.724 250 A CB 1.235 20.405 19.000 0.283 0.000 1.267 250 A HN 0.549 8.699 8.150 -0.000 0.000 0.418 251 L N 3.233 124.246 121.223 -0.350 0.000 2.295 251 L HA 0.640 4.993 4.340 0.022 0.000 0.281 251 L C -1.219 175.647 176.870 -0.007 0.000 1.018 251 L CA -0.190 54.389 54.840 -0.434 0.000 0.841 251 L CB 0.473 41.823 42.059 -1.181 0.000 1.218 251 L HN 0.542 8.772 8.230 -0.000 0.000 0.424 252 I N 5.758 126.373 120.570 0.075 0.000 2.337 252 I HA 0.358 4.541 4.170 0.022 0.000 0.285 252 I C -0.319 175.927 176.117 0.214 0.000 1.041 252 I CA -0.300 61.103 61.300 0.173 0.000 1.199 252 I CB 0.774 38.851 38.000 0.128 0.000 1.370 252 I HN 0.665 8.875 8.210 -0.000 0.000 0.470 253 E N 5.180 125.537 120.200 0.263 0.000 2.272 253 E HA 0.434 4.797 4.350 0.022 0.000 0.269 253 E C -0.622 176.137 176.600 0.265 0.000 0.877 253 E CA -0.905 55.651 56.400 0.259 0.000 0.755 253 E CB 1.306 31.151 29.700 0.242 0.000 1.192 253 E HN 0.425 8.785 8.360 -0.000 0.000 0.422 254 N N 1.631 120.474 118.700 0.238 0.000 2.725 254 N HA -0.167 4.586 4.740 0.022 0.000 0.251 254 N C -1.370 174.244 175.510 0.172 0.000 1.031 254 N CA 0.889 54.059 53.050 0.201 0.000 0.720 254 N CB -1.377 37.217 38.487 0.179 0.000 0.930 254 N HN 0.605 8.985 8.380 -0.000 0.000 0.543 255 N N -0.518 118.301 118.700 0.198 0.000 2.483 255 N HA 0.409 5.162 4.740 0.022 0.000 0.285 255 N C -0.663 174.912 175.510 0.109 0.000 1.210 255 N CA -0.322 52.780 53.050 0.086 0.000 0.931 255 N CB 1.252 39.764 38.487 0.041 0.000 1.220 255 N HN 0.233 8.613 8.380 -0.000 0.000 0.542 256 W N 2.277 123.464 121.300 -0.189 0.000 2.411 256 W HA 0.432 5.106 4.660 0.023 0.000 0.317 256 W C -1.885 174.531 176.519 -0.172 0.000 1.030 256 W CA -0.576 56.684 57.345 -0.142 0.000 1.239 256 W CB 0.287 29.661 29.460 -0.143 0.000 1.304 256 W HN 0.363 8.543 8.180 -0.000 0.000 0.437 257 F N 3.926 123.728 119.950 -0.248 0.000 2.443 257 F HA 0.416 4.958 4.527 0.024 0.000 0.335 257 F C 0.161 175.816 175.800 -0.242 0.000 1.104 257 F CA -0.587 57.349 58.000 -0.107 0.000 1.013 257 F CB 1.871 40.760 39.000 -0.185 0.000 1.136 257 F HN 0.305 8.605 8.300 -0.000 0.000 0.470 258 E N 2.107 122.426 120.200 0.199 0.000 2.354 258 E HA 0.266 4.629 4.350 0.022 0.000 0.283 258 E C -1.321 175.380 176.600 0.169 0.000 0.938 258 E CA -0.834 55.688 56.400 0.204 0.000 0.777 258 E CB 1.095 31.031 29.700 0.392 0.000 1.222 258 E HN 0.576 8.936 8.360 -0.000 0.000 0.423 259 K N 0.658 121.126 120.400 0.113 0.000 3.451 259 K HA -0.192 4.141 4.320 0.022 0.000 0.273 259 K C -1.209 175.399 176.600 0.013 0.000 0.944 259 K CA 0.882 57.204 56.287 0.057 0.000 0.734 259 K CB -1.589 30.965 32.500 0.088 0.000 1.437 259 K HN 0.420 8.670 8.250 -0.000 0.000 0.454 260 A N 1.232 124.012 122.820 -0.065 0.000 2.386 260 A HA 0.750 5.083 4.320 0.022 0.000 0.311 260 A C -0.196 177.206 177.584 -0.303 0.000 1.068 260 A CA -0.818 51.140 52.037 -0.131 0.000 0.743 260 A CB 1.062 20.015 19.000 -0.078 0.000 1.258 260 A HN 0.314 8.464 8.150 -0.000 0.000 0.429 261 I N 1.474 121.875 120.570 -0.282 0.000 2.336 261 I HA 0.232 4.415 4.170 0.022 0.000 0.292 261 I C -0.075 175.776 176.117 -0.443 0.000 0.991 261 I CA -0.468 60.611 61.300 -0.368 0.000 1.227 261 I CB 1.091 38.965 38.000 -0.209 0.000 1.366 261 I HN 0.908 9.118 8.210 -0.000 0.000 0.466 262 N N 4.942 123.216 118.700 -0.710 0.000 2.696 262 N HA -0.152 4.601 4.740 0.022 0.000 0.256 262 N C -2.218 172.993 175.510 -0.498 0.000 1.031 262 N CA -0.293 52.406 53.050 -0.585 0.000 0.730 262 N CB -0.728 37.648 38.487 -0.184 0.000 0.894 262 N HN 0.492 8.872 8.380 -0.000 0.000 0.544 263 P HA -0.111 4.309 4.420 -0.000 0.000 0.216 263 P C -0.002 177.078 177.300 -0.367 0.000 1.150 263 P CA 1.148 63.974 63.100 -0.457 0.000 0.837 263 P CB 0.461 31.794 31.700 -0.611 0.000 0.786 264 V N -1.463 118.270 119.914 -0.302 0.000 2.524 264 V HA 0.524 4.657 4.120 0.022 0.000 0.297 264 V C -0.144 175.695 176.094 -0.425 0.000 1.035 264 V CA -0.311 61.693 62.300 -0.493 0.000 0.867 264 V CB 1.697 32.981 31.823 -0.897 0.000 1.004 264 V HN -0.035 8.155 8.190 -0.000 0.000 0.426 265 T N 2.312 116.669 114.554 -0.329 0.000 2.762 265 T HA 0.634 4.997 4.350 0.022 0.000 0.301 265 T C -1.466 173.321 174.700 0.146 0.000 1.299 265 T CA -0.290 61.776 62.100 -0.057 0.000 1.005 265 T CB 2.148 71.028 68.868 0.019 0.000 1.377 265 T HN 0.654 8.894 8.240 -0.000 0.000 0.504 266 S N 1.000 116.845 115.700 0.241 0.000 2.620 266 S HA 0.630 5.113 4.470 0.022 0.000 0.244 266 S C -0.814 173.899 174.600 0.188 0.000 1.192 266 S CA -0.752 57.608 58.200 0.268 0.000 1.148 266 S CB -0.117 63.318 63.200 0.392 0.000 1.106 266 S HN 0.860 9.170 8.310 -0.000 0.000 0.474 267 R N 2.297 122.800 120.500 0.006 0.000 2.817 267 R HA 0.647 5.000 4.340 0.022 0.000 0.268 267 R C -0.836 175.366 176.300 -0.165 0.000 1.027 267 R CA -0.849 55.185 56.100 -0.110 0.000 0.928 267 R CB 0.327 30.357 30.300 -0.449 0.000 1.228 267 R HN 0.358 8.628 8.270 -0.000 0.000 0.469 268 Y N -2.152 118.243 120.300 0.157 0.000 4.716 268 Y HA -0.224 4.338 4.550 0.019 0.000 0.300 268 Y C 0.255 176.210 175.900 0.092 0.000 0.946 268 Y CA 1.065 59.225 58.100 0.100 0.000 1.632 268 Y CB -1.958 36.542 38.460 0.067 0.000 0.943 268 Y HN 0.793 9.073 8.280 -0.000 0.000 0.420 269 D N -0.909 119.630 120.400 0.232 0.000 2.431 269 D HA 0.381 5.034 4.640 0.022 0.000 0.227 269 D C 2.186 178.542 176.300 0.094 0.000 1.030 269 D CA 1.735 55.812 54.000 0.128 0.000 0.897 269 D CB 0.117 40.956 40.800 0.064 0.000 1.058 269 D HN 0.462 8.832 8.370 -0.000 0.000 0.500 270 G N 1.549 110.446 108.800 0.162 0.000 2.176 270 G HA2 -0.280 3.693 3.960 0.022 0.000 0.253 270 G HA3 -0.280 3.693 3.960 0.022 0.000 0.253 270 G C 0.342 175.201 174.900 -0.068 0.000 0.979 270 G CA 0.956 46.150 45.100 0.157 0.000 0.641 270 G HN 0.551 8.841 8.290 -0.000 0.000 0.530 271 K N -2.491 117.670 120.400 -0.398 0.000 2.680 271 K HA 0.560 4.893 4.320 0.022 0.000 0.295 271 K C -0.026 176.083 176.600 -0.817 0.000 1.052 271 K CA -0.522 55.275 56.287 -0.816 0.000 0.863 271 K CB -0.037 32.246 32.500 -0.361 0.000 1.549 271 K HN 0.202 8.452 8.250 -0.000 0.000 0.391 272 N N 0.143 118.435 118.700 -0.681 0.000 2.725 272 N HA -0.153 4.600 4.740 0.022 0.000 0.251 272 N C -1.182 174.154 175.510 -0.289 0.000 1.031 272 N CA 0.911 53.743 53.050 -0.363 0.000 0.720 272 N CB -1.292 37.080 38.487 -0.192 0.000 0.930 272 N HN 0.425 8.805 8.380 -0.000 0.000 0.543 273 F N 0.620 120.553 119.950 -0.029 0.000 2.563 273 F HA 0.304 4.846 4.527 0.025 0.000 0.363 273 F C 2.012 177.775 175.800 -0.061 0.000 1.123 273 F CA 0.144 58.122 58.000 -0.037 0.000 1.307 273 F CB 0.191 39.144 39.000 -0.077 0.000 1.115 273 F HN 0.087 8.387 8.300 -0.000 0.000 0.592 274 G N 0.474 109.373 108.800 0.165 0.000 2.588 274 G HA2 0.566 4.539 3.960 0.022 0.000 0.281 274 G HA3 0.566 4.539 3.960 0.022 0.000 0.281 274 G C -0.558 174.283 174.900 -0.099 0.000 1.236 274 G CA -0.321 44.827 45.100 0.080 0.000 0.969 274 G HN 0.795 9.085 8.290 -0.000 0.000 0.504 275 T N -2.893 111.602 114.554 -0.098 0.000 2.916 275 T HA 0.715 5.078 4.350 0.022 0.000 0.292 275 T C -1.283 173.376 174.700 -0.069 0.000 1.064 275 T CA -0.857 61.035 62.100 -0.348 0.000 1.011 275 T CB 1.906 70.644 68.868 -0.217 0.000 1.152 275 T HN 1.059 9.299 8.240 -0.000 0.000 0.510 276 W N -0.559 120.740 121.300 -0.002 0.000 3.127 276 W HA 0.732 5.405 4.660 0.021 0.000 0.330 276 W C -2.182 174.305 176.519 -0.053 0.000 1.187 276 W CA -1.415 55.915 57.345 -0.025 0.000 1.198 276 W CB 0.848 30.250 29.460 -0.097 0.000 1.408 276 W HN 0.508 8.688 8.180 -0.000 0.000 0.529 277 V N 3.672 123.709 119.914 0.205 0.000 2.357 277 V HA 0.450 4.583 4.120 0.022 0.000 0.284 277 V C -0.202 175.936 176.094 0.073 0.000 1.018 277 V CA -0.909 61.455 62.300 0.105 0.000 0.841 277 V CB 1.031 32.901 31.823 0.077 0.000 0.991 277 V HN 0.560 8.750 8.190 -0.000 0.000 0.437 278 L N 6.428 127.668 121.223 0.029 0.000 2.307 278 L HA 0.741 5.094 4.340 0.022 0.000 0.284 278 L C -0.199 176.707 176.870 0.060 0.000 1.023 278 L CA -0.451 54.370 54.840 -0.032 0.000 0.810 278 L CB 1.434 43.301 42.059 -0.320 0.000 1.231 278 L HN 0.735 8.965 8.230 -0.000 0.000 0.423 279 K N 1.476 121.952 120.400 0.128 0.000 2.575 279 K HA 0.543 4.876 4.320 0.022 0.000 0.255 279 K C 0.117 176.824 176.600 0.179 0.000 0.953 279 K CA -0.300 56.074 56.287 0.145 0.000 0.840 279 K CB 1.683 34.245 32.500 0.103 0.000 1.303 279 K HN 0.615 8.865 8.250 -0.000 0.000 0.438 280 G N 2.065 110.971 108.800 0.177 0.000 2.148 280 G HA2 -0.263 3.710 3.960 0.022 0.000 0.254 280 G HA3 -0.263 3.710 3.960 0.022 0.000 0.254 280 G C -0.422 174.595 174.900 0.195 0.000 0.981 280 G CA 0.210 45.410 45.100 0.167 0.000 0.670 280 G HN 0.713 9.003 8.290 -0.000 0.000 0.528 281 N N 0.522 119.377 118.700 0.258 0.000 2.347 281 N HA 0.141 4.894 4.740 0.022 0.000 0.253 281 N C 1.608 177.177 175.510 0.098 0.000 1.274 281 N CA 0.106 53.318 53.050 0.270 0.000 0.941 281 N CB 0.184 38.978 38.487 0.512 0.000 1.200 281 N HN 0.381 8.761 8.380 -0.000 0.000 0.514 282 N N 0.482 119.117 118.700 -0.109 0.000 2.309 282 N HA -0.089 4.664 4.740 0.022 0.000 0.182 282 N C 0.379 175.659 175.510 -0.384 0.000 1.018 282 N CA 0.869 53.644 53.050 -0.459 0.000 0.876 282 N CB -0.017 37.584 38.487 -1.477 0.000 0.972 282 N HN 0.465 8.845 8.380 -0.000 0.000 0.434 283 I N 1.624 121.992 120.570 -0.337 0.000 2.325 283 I HA 0.073 4.256 4.170 0.022 0.000 0.291 283 I C 0.944 176.895 176.117 -0.277 0.000 1.019 283 I CA -0.238 60.802 61.300 -0.435 0.000 1.302 283 I CB 1.576 39.012 38.000 -0.939 0.000 1.401 283 I HN 0.146 8.357 8.210 -0.000 0.000 0.485 284 T N 1.756 116.203 114.554 -0.178 0.000 2.959 284 T HA 0.228 4.591 4.350 0.022 0.000 0.254 284 T C 0.259 175.004 174.700 0.074 0.000 1.003 284 T CA -0.210 61.924 62.100 0.057 0.000 0.950 284 T CB 0.265 69.170 68.868 0.061 0.000 1.090 284 T HN 0.652 8.892 8.240 -0.000 0.000 0.503 285 K N -0.066 120.236 120.400 -0.164 0.000 2.579 285 K HA 0.486 4.819 4.320 0.022 0.000 0.284 285 K C -3.005 173.280 176.600 -0.524 0.000 0.990 285 K CA -1.787 54.400 56.287 -0.166 0.000 0.880 285 K CB 1.106 33.544 32.500 -0.105 0.000 1.488 285 K HN -0.406 7.844 8.250 -0.000 0.000 0.425 286 P HA -0.220 4.200 4.420 -0.000 0.000 0.218 286 P C 1.027 177.850 177.300 -0.795 0.000 1.146 286 P CA 2.089 64.517 63.100 -1.119 0.000 0.813 286 P CB 0.000 31.426 31.700 -0.457 0.000 0.778 287 A N -0.204 122.367 122.820 -0.415 0.000 2.019 287 A HA -0.201 4.132 4.320 0.022 0.000 0.219 287 A C 1.790 179.231 177.584 -0.239 0.000 1.164 287 A CA 1.759 53.649 52.037 -0.246 0.000 0.644 287 A CB -1.074 17.829 19.000 -0.161 0.000 0.805 287 A HN 0.129 8.279 8.150 -0.000 0.000 0.449 288 D N -0.903 119.309 120.400 -0.313 0.000 2.347 288 D HA -0.025 4.628 4.640 0.022 0.000 0.215 288 D C 1.219 177.497 176.300 -0.036 0.000 0.976 288 D CA 0.367 54.253 54.000 -0.189 0.000 0.884 288 D CB -0.280 40.457 40.800 -0.105 0.000 0.915 288 D HN 0.400 8.770 8.370 -0.000 0.000 0.526 289 F N 2.020 121.911 119.950 -0.099 0.000 2.126 289 F HA -0.194 4.343 4.527 0.018 0.000 0.299 289 F C 2.743 178.497 175.800 -0.075 0.000 1.096 289 F CA 0.835 58.792 58.000 -0.071 0.000 1.255 289 F CB -1.377 37.640 39.000 0.028 0.000 0.997 289 F HN -0.009 8.291 8.300 -0.000 0.000 0.479 290 S N -0.914 114.847 115.700 0.103 0.000 2.368 290 S HA -0.183 4.300 4.470 0.022 0.000 0.225 290 S C 1.995 176.548 174.600 -0.078 0.000 1.030 290 S CA 1.723 59.932 58.200 0.014 0.000 0.999 290 S CB -1.269 61.925 63.200 -0.010 0.000 0.844 290 S HN 0.362 8.672 8.310 -0.000 0.000 0.459 291 T N 0.913 115.345 114.554 -0.203 0.000 2.720 291 T HA -0.087 4.276 4.350 0.022 0.000 0.268 291 T C 0.768 175.164 174.700 -0.506 0.000 1.037 291 T CA 1.675 63.510 62.100 -0.441 0.000 1.144 291 T CB -0.491 67.928 68.868 -0.749 0.000 0.864 291 T HN 0.642 8.882 8.240 -0.000 0.000 0.444 292 Y N 0.874 121.153 120.300 -0.035 0.000 2.607 292 Y HA 0.410 4.973 4.550 0.021 0.000 0.266 292 Y C 0.925 176.809 175.900 -0.028 0.000 1.178 292 Y CA -1.081 56.997 58.100 -0.038 0.000 1.226 292 Y CB -0.463 37.915 38.460 -0.137 0.000 1.144 292 Y HN -0.010 8.270 8.280 -0.000 0.000 0.528 293 S N 1.313 117.052 115.700 0.065 0.000 3.572 293 S HA -0.136 4.347 4.470 0.022 0.000 0.394 293 S C -0.418 174.148 174.600 -0.057 0.000 0.923 293 S CA 0.184 58.393 58.200 0.015 0.000 1.291 293 S CB -1.656 61.561 63.200 0.029 0.000 0.914 293 S HN 0.232 8.542 8.310 -0.000 0.000 0.545 294 I N 1.971 122.472 120.570 -0.115 0.000 2.339 294 I HA 0.435 4.618 4.170 0.022 0.000 0.290 294 I C 0.867 176.691 176.117 -0.488 0.000 0.994 294 I CA -0.021 61.046 61.300 -0.389 0.000 1.191 294 I CB 1.186 38.863 38.000 -0.540 0.000 1.343 294 I HN 0.220 8.430 8.210 -0.000 0.000 0.458 295 T N 5.210 119.408 114.554 -0.593 0.000 2.912 295 T HA 0.600 4.963 4.350 0.022 0.000 0.288 295 T C -1.056 173.210 174.700 -0.725 0.000 1.030 295 T CA -0.452 61.378 62.100 -0.451 0.000 1.020 295 T CB 1.488 70.217 68.868 -0.233 0.000 1.056 295 T HN 0.391 8.631 8.240 -0.000 0.000 0.480 296 W N 1.162 122.360 121.300 -0.169 0.000 2.819 296 W HA 0.574 5.237 4.660 0.005 0.000 0.337 296 W C 0.185 176.636 176.519 -0.114 0.000 1.077 296 W CA -0.760 56.489 57.345 -0.160 0.000 1.226 296 W CB 1.752 31.124 29.460 -0.147 0.000 1.419 296 W HN 0.794 8.974 8.180 -0.000 0.000 0.502 297 T N -0.820 113.797 114.554 0.106 0.000 2.916 297 T HA 0.893 5.256 4.350 0.022 0.000 0.292 297 T C -0.251 174.365 174.700 -0.139 0.000 1.064 297 T CA -0.846 61.251 62.100 -0.006 0.000 1.011 297 T CB 1.688 70.525 68.868 -0.051 0.000 1.152 297 T HN 0.596 8.836 8.240 -0.000 0.000 0.510 298 A N 0.520 123.212 122.820 -0.214 0.000 2.239 298 A HA 0.792 5.125 4.320 0.022 0.000 0.303 298 A C -0.388 176.844 177.584 -0.588 0.000 1.114 298 A CA -0.490 51.200 52.037 -0.577 0.000 0.871 298 A CB 0.470 19.393 19.000 -0.129 0.000 1.201 298 A HN 1.012 9.162 8.150 -0.000 0.000 0.506 299 D N -2.952 117.014 120.400 -0.724 0.000 2.547 299 D HA 0.431 5.084 4.640 0.022 0.000 0.231 299 D C 1.133 177.448 176.300 0.026 0.000 1.099 299 D CA 0.364 54.226 54.000 -0.230 0.000 0.901 299 D CB 1.566 42.263 40.800 -0.173 0.000 1.478 299 D HN 0.483 8.853 8.370 -0.000 0.000 0.471 300 T N -0.992 113.612 114.554 0.083 0.000 2.929 300 T HA 0.019 4.382 4.350 0.022 0.000 0.271 300 T C 0.546 175.336 174.700 0.150 0.000 1.085 300 T CA 0.881 63.045 62.100 0.106 0.000 1.125 300 T CB -0.151 68.764 68.868 0.079 0.000 0.874 300 T HN 0.264 8.504 8.240 -0.000 0.000 0.494 301 K N 1.240 121.761 120.400 0.201 0.000 2.238 301 K HA 0.567 4.900 4.320 0.022 0.000 0.239 301 K C -3.073 173.717 176.600 0.316 0.000 0.987 301 K CA -2.814 53.602 56.287 0.216 0.000 0.857 301 K CB 0.967 33.586 32.500 0.199 0.000 1.154 301 K HN -0.135 8.115 8.250 -0.000 0.000 0.439 302 P HA -0.101 4.319 4.420 -0.000 0.000 0.263 302 P C -1.473 176.021 177.300 0.323 0.000 1.175 302 P CA 0.551 63.787 63.100 0.227 0.000 0.761 302 P CB 0.064 31.935 31.700 0.285 0.000 0.794 303 Y N 0.232 120.511 120.300 -0.034 0.000 2.655 303 Y HA 0.776 5.338 4.550 0.020 0.000 0.336 303 Y C -1.649 173.957 175.900 -0.490 0.000 1.154 303 Y CA -1.538 56.446 58.100 -0.193 0.000 1.055 303 Y CB 0.784 39.201 38.460 -0.071 0.000 1.295 303 Y HN 0.042 8.322 8.280 -0.000 0.000 0.465 304 V N 2.620 122.309 119.914 -0.375 0.000 2.569 304 V HA 0.428 4.561 4.120 0.022 0.000 0.301 304 V C -1.081 175.082 176.094 0.116 0.000 1.044 304 V CA -0.795 61.312 62.300 -0.321 0.000 0.874 304 V CB 1.469 33.001 31.823 -0.484 0.000 1.002 304 V HN 0.813 9.003 8.190 -0.000 0.000 0.424 305 N N 2.240 120.979 118.700 0.065 0.000 2.443 305 N HA 0.643 5.396 4.740 0.022 0.000 0.293 305 N C 0.366 175.763 175.510 -0.189 0.000 1.159 305 N CA -0.393 52.621 53.050 -0.060 0.000 0.904 305 N CB 2.133 40.462 38.487 -0.263 0.000 1.214 305 N HN 0.774 9.154 8.380 -0.000 0.000 0.513 306 A N 0.397 122.941 122.820 -0.460 0.000 2.734 306 A HA 0.064 4.397 4.320 0.022 0.000 0.279 306 A C 0.432 177.790 177.584 -0.377 0.000 1.386 306 A CA -0.308 51.578 52.037 -0.253 0.000 0.987 306 A CB -0.759 17.919 19.000 -0.537 0.000 1.041 306 A HN 0.642 8.792 8.150 -0.000 0.000 0.569 307 D N -0.766 119.119 120.400 -0.858 0.000 2.350 307 D HA -0.093 4.560 4.640 0.022 0.000 0.216 307 D C 1.204 177.551 176.300 0.079 0.000 0.968 307 D CA 1.459 55.041 54.000 -0.698 0.000 0.894 307 D CB -0.291 39.926 40.800 -0.972 0.000 0.909 307 D HN 0.253 8.623 8.370 -0.000 0.000 0.520 308 S N -1.256 114.481 115.700 0.062 0.000 2.517 308 S HA 0.005 4.488 4.470 0.022 0.000 0.214 308 S C 0.303 175.049 174.600 0.244 0.000 0.991 308 S CA -0.402 57.862 58.200 0.106 0.000 0.906 308 S CB -0.524 62.695 63.200 0.032 0.000 0.789 308 S HN 0.439 8.749 8.310 -0.000 0.000 0.513 309 W N 3.634 124.993 121.300 0.099 0.000 6.351 309 W HA -0.275 4.397 4.660 0.020 0.000 0.403 309 W C -0.612 175.964 176.519 0.096 0.000 1.540 309 W CA 1.110 58.529 57.345 0.123 0.000 1.055 309 W CB -1.793 27.732 29.460 0.108 0.000 2.721 309 W HN 0.336 8.516 8.180 -0.000 0.000 1.542 310 T N -1.365 113.208 114.554 0.031 0.000 2.907 310 T HA 0.598 4.961 4.350 0.022 0.000 0.292 310 T C 0.203 174.915 174.700 0.020 0.000 1.043 310 T CA -0.644 61.466 62.100 0.015 0.000 1.003 310 T CB 1.821 70.704 68.868 0.025 0.000 1.084 310 T HN 0.015 8.255 8.240 -0.000 0.000 0.483 311 S N 1.575 117.274 115.700 -0.002 0.000 2.533 311 S HA 0.308 4.791 4.470 0.022 0.000 0.282 311 S C 1.465 175.989 174.600 -0.126 0.000 1.304 311 S CA -0.233 57.960 58.200 -0.013 0.000 1.063 311 S CB 0.642 63.840 63.200 -0.002 0.000 0.881 311 S HN 0.972 9.282 8.310 -0.000 0.000 0.493 312 T N -0.217 114.140 114.554 -0.328 0.000 3.092 312 T HA 0.515 4.878 4.350 0.022 0.000 0.258 312 T C 0.712 175.232 174.700 -0.301 0.000 1.031 312 T CA 0.133 61.985 62.100 -0.413 0.000 0.925 312 T CB 0.145 68.540 68.868 -0.788 0.000 1.036 312 T HN 0.719 8.959 8.240 -0.000 0.000 0.544 313 G N 0.840 109.524 108.800 -0.193 0.000 2.500 313 G HA2 0.543 4.516 3.960 0.022 0.000 0.299 313 G HA3 0.543 4.516 3.960 0.022 0.000 0.299 313 G C -0.915 173.971 174.900 -0.022 0.000 1.242 313 G CA -0.080 44.957 45.100 -0.105 0.000 0.859 313 G HN 0.575 8.865 8.290 -0.000 0.000 0.481 314 T N -2.711 111.857 114.554 0.022 0.000 2.883 314 T HA 0.810 5.173 4.350 0.022 0.000 0.284 314 T C -1.472 173.339 174.700 0.185 0.000 1.041 314 T CA -0.799 61.347 62.100 0.077 0.000 1.007 314 T CB 2.411 71.299 68.868 0.033 0.000 1.220 314 T HN 1.095 9.335 8.240 -0.000 0.000 0.552 315 F N 1.734 121.687 119.950 0.005 0.000 2.604 315 F HA 0.564 5.105 4.527 0.022 0.000 0.316 315 F C -2.377 173.426 175.800 0.005 0.000 1.136 315 F CA -1.676 56.335 58.000 0.017 0.000 0.989 315 F CB 1.563 40.579 39.000 0.027 0.000 1.258 315 F HN 0.614 8.914 8.300 -0.000 0.000 0.451 316 P HA 0.086 4.506 4.420 -0.000 0.000 0.271 316 P C -0.374 176.890 177.300 -0.059 0.000 1.233 316 P CA -0.212 62.760 63.100 -0.212 0.000 0.789 316 P CB 0.629 32.152 31.700 -0.295 0.000 0.951 317 T N 0.663 115.206 114.554 -0.017 0.000 2.831 317 T HA 0.067 4.430 4.350 0.022 0.000 0.291 317 T C 0.225 174.926 174.700 0.001 0.000 0.981 317 T CA -0.343 61.763 62.100 0.010 0.000 1.174 317 T CB -0.563 68.302 68.868 -0.005 0.000 0.929 317 T HN 0.153 8.393 8.240 -0.000 0.000 0.532 318 V N 7.472 127.372 119.914 -0.024 0.000 2.425 318 V HA 0.200 4.333 4.120 0.022 0.000 0.276 318 V C 1.641 177.581 176.094 -0.256 0.000 1.017 318 V CA 0.405 62.581 62.300 -0.205 0.000 1.062 318 V CB -0.382 31.165 31.823 -0.459 0.000 0.997 318 V HN 1.153 9.343 8.190 -0.000 0.000 0.476 319 A N 6.085 128.808 122.820 -0.161 0.000 1.841 319 A HA -0.105 4.228 4.320 0.022 0.000 0.216 319 A C 1.015 178.577 177.584 -0.037 0.000 1.199 319 A CA 1.600 53.622 52.037 -0.024 0.000 0.621 319 A CB -0.654 18.438 19.000 0.152 0.000 0.835 319 A HN 0.914 9.064 8.150 -0.000 0.000 0.445 320 Y N -0.613 119.686 120.300 -0.001 0.000 2.321 320 Y HA 0.346 4.909 4.550 0.021 0.000 0.353 320 Y C 0.405 176.365 175.900 0.100 0.000 1.276 320 Y CA -0.987 57.124 58.100 0.018 0.000 1.545 320 Y CB 0.027 38.463 38.460 -0.040 0.000 1.377 320 Y HN 0.260 8.540 8.280 -0.000 0.000 0.650 321 N N 0.715 119.596 118.700 0.300 0.000 2.456 321 N HA 0.362 5.115 4.740 0.022 0.000 0.288 321 N C -1.768 173.960 175.510 0.362 0.000 1.059 321 N CA -0.410 52.762 53.050 0.204 0.000 0.946 321 N CB 1.265 39.815 38.487 0.105 0.000 1.150 321 N HN 0.739 9.119 8.380 -0.000 0.000 0.479 322 Y N -1.050 119.263 120.300 0.023 0.000 2.641 322 Y HA 0.404 4.967 4.550 0.022 0.000 0.333 322 Y C -1.455 174.405 175.900 -0.066 0.000 1.174 322 Y CA -1.078 57.025 58.100 0.005 0.000 1.057 322 Y CB 0.910 39.346 38.460 -0.039 0.000 1.322 322 Y HN 0.220 8.500 8.280 -0.000 0.000 0.457 323 S N 4.152 119.809 115.700 -0.071 0.000 2.652 323 S HA 0.533 5.017 4.470 0.022 0.000 0.252 323 S C -2.991 171.643 174.600 0.057 0.000 1.219 323 S CA -1.139 56.981 58.200 -0.133 0.000 1.151 323 S CB 0.426 63.597 63.200 -0.048 0.000 1.080 323 S HN 0.604 8.914 8.310 -0.000 0.000 0.481 324 P HA 0.275 4.695 4.420 -0.000 0.000 0.275 324 P C 0.352 177.727 177.300 0.127 0.000 1.227 324 P CA -0.407 62.803 63.100 0.184 0.000 0.781 324 P CB 0.960 32.762 31.700 0.171 0.000 0.906 325 V N 0.592 120.598 119.914 0.154 0.000 3.403 325 V HA 0.473 4.606 4.120 0.022 0.000 0.305 325 V C 0.708 176.857 176.094 0.091 0.000 1.060 325 V CA -0.639 61.721 62.300 0.101 0.000 1.053 325 V CB 0.112 31.991 31.823 0.093 0.000 1.198 325 V HN 0.737 8.927 8.190 -0.000 0.000 0.447 326 S N 0.180 115.927 115.700 0.078 0.000 2.603 326 S HA 0.538 5.021 4.470 0.022 0.000 0.268 326 S C 1.240 175.912 174.600 0.120 0.000 1.317 326 S CA -0.068 58.191 58.200 0.098 0.000 1.012 326 S CB 1.043 64.298 63.200 0.092 0.000 0.926 326 S HN 1.704 10.014 8.310 -0.000 0.000 0.539 327 A N 1.111 124.035 122.820 0.174 0.000 1.978 327 A HA -0.120 4.213 4.320 0.022 0.000 0.220 327 A C 2.311 180.102 177.584 0.346 0.000 1.170 327 A CA 1.328 53.526 52.037 0.269 0.000 0.636 327 A CB -0.849 18.327 19.000 0.293 0.000 0.810 327 A HN 0.811 8.961 8.150 -0.000 0.000 0.448 328 Q N -0.932 119.033 119.800 0.275 0.000 2.079 328 Q HA -0.169 4.184 4.340 0.022 0.000 0.200 328 Q C 2.376 178.336 176.000 -0.067 0.000 0.974 328 Q CA 1.553 57.430 55.803 0.123 0.000 0.840 328 Q CB -0.922 27.904 28.738 0.147 0.000 0.898 328 Q HN 0.739 9.009 8.270 -0.000 0.000 0.430 329 c N 0.012 118.608 118.600 -0.006 0.000 2.422 329 c HA -0.070 4.513 4.570 0.022 0.000 0.279 329 c C 2.723 176.764 174.090 -0.083 0.000 1.305 329 c CA 0.618 56.924 56.329 -0.038 0.000 1.757 329 c CB -0.906 41.605 42.510 0.002 0.000 1.962 329 c HN 0.287 8.517 8.230 -0.000 0.000 0.499 330 V N 1.502 121.371 119.914 -0.074 0.000 2.261 330 V HA -0.185 3.948 4.120 0.022 0.000 0.246 330 V C 2.608 178.546 176.094 -0.261 0.000 1.047 330 V CA 2.413 64.641 62.300 -0.120 0.000 1.015 330 V CB -0.841 30.936 31.823 -0.076 0.000 0.642 330 V HN 0.554 8.744 8.190 -0.000 0.000 0.446 331 K N 0.645 120.792 120.400 -0.421 0.000 2.103 331 K HA -0.208 4.125 4.320 0.022 0.000 0.207 331 K C 1.650 177.933 176.600 -0.529 0.000 1.048 331 K CA 2.073 57.901 56.287 -0.765 0.000 0.930 331 K CB -0.519 30.959 32.500 -1.703 0.000 0.716 331 K HN 0.511 8.761 8.250 -0.000 0.000 0.444 332 D N -0.394 119.786 120.400 -0.367 0.000 2.137 332 D HA -0.049 4.604 4.640 0.022 0.000 0.202 332 D C 1.504 177.711 176.300 -0.154 0.000 0.970 332 D CA 1.040 54.899 54.000 -0.234 0.000 0.837 332 D CB 0.102 40.811 40.800 -0.151 0.000 0.981 332 D HN 0.084 8.454 8.370 -0.000 0.000 0.475 333 K N -0.027 120.310 120.400 -0.104 0.000 2.365 333 K HA 0.156 4.490 4.320 0.022 0.000 0.195 333 K C 1.648 178.306 176.600 0.096 0.000 1.079 333 K CA -0.190 56.111 56.287 0.024 0.000 0.979 333 K CB -0.302 32.256 32.500 0.097 0.000 0.929 333 K HN -0.076 8.174 8.250 -0.000 0.000 0.523 334 L N 1.967 123.170 121.223 -0.033 0.000 2.051 334 L HA -0.135 4.218 4.340 0.022 0.000 0.214 334 L C -1.294 175.537 176.870 -0.064 0.000 1.076 334 L CA 2.040 56.873 54.840 -0.011 0.000 0.758 334 L CB -1.022 40.942 42.059 -0.159 0.000 0.890 334 L HN 0.091 8.321 8.230 -0.000 0.000 0.433 335 P HA -0.093 4.327 4.420 -0.000 0.000 0.223 335 P C 1.210 178.421 177.300 -0.149 0.000 1.144 335 P CA 1.608 64.501 63.100 -0.345 0.000 0.783 335 P CB -0.286 31.146 31.700 -0.447 0.000 0.771 336 G N -3.292 105.459 108.800 -0.080 0.000 3.042 336 G HA2 -0.084 3.889 3.960 0.022 0.000 0.212 336 G HA3 -0.084 3.889 3.960 0.022 0.000 0.212 336 G C 0.636 175.352 174.900 -0.306 0.000 1.166 336 G CA 0.184 45.170 45.100 -0.189 0.000 0.767 336 G HN 0.246 8.536 8.290 -0.000 0.000 0.546 337 Y N 0.169 120.500 120.300 0.051 0.000 2.526 337 Y HA 0.511 5.074 4.550 0.021 0.000 0.265 337 Y C 1.693 177.764 175.900 0.284 0.000 1.092 337 Y CA -0.463 57.736 58.100 0.165 0.000 1.277 337 Y CB 0.472 39.082 38.460 0.249 0.000 1.228 337 Y HN 0.166 8.446 8.280 -0.000 0.000 0.507 338 A N 0.841 123.856 122.820 0.324 0.000 2.363 338 A HA 0.612 4.945 4.320 0.022 0.000 0.270 338 A C 0.880 178.581 177.584 0.195 0.000 1.121 338 A CA 0.599 52.775 52.037 0.232 0.000 0.800 338 A CB -0.487 18.599 19.000 0.143 0.000 1.052 338 A HN 0.617 8.767 8.150 -0.000 0.000 0.493 339 G N -0.443 108.487 108.800 0.217 0.000 2.526 339 G HA2 0.304 4.277 3.960 0.022 0.000 0.250 339 G HA3 0.304 4.277 3.960 0.022 0.000 0.250 339 G C -0.057 174.962 174.900 0.199 0.000 1.289 339 G CA -0.016 45.216 45.100 0.220 0.000 0.947 339 G HN 2.280 10.570 8.290 -0.000 0.000 0.517 340 V N -1.645 118.347 119.914 0.131 0.000 2.904 340 V HA 0.803 4.936 4.120 0.022 0.000 0.305 340 V C 1.765 177.874 176.094 0.024 0.000 1.067 340 V CA 0.875 63.215 62.300 0.067 0.000 1.044 340 V CB 0.840 32.696 31.823 0.054 0.000 1.050 340 V HN 3.067 11.257 8.190 -0.000 0.000 0.475 341 G N 2.137 110.926 108.800 -0.018 0.000 2.155 341 G HA2 -0.230 3.743 3.960 0.022 0.000 0.257 341 G HA3 -0.230 3.743 3.960 0.022 0.000 0.257 341 G C 0.499 175.354 174.900 -0.074 0.000 0.983 341 G CA 0.515 45.589 45.100 -0.044 0.000 0.676 341 G HN 0.815 9.105 8.290 -0.000 0.000 0.528 342 K N 0.135 120.480 120.400 -0.092 0.000 2.387 342 K HA 0.189 4.522 4.320 0.022 0.000 0.198 342 K C 1.086 177.562 176.600 -0.207 0.000 1.022 342 K CA -0.001 56.204 56.287 -0.137 0.000 1.128 342 K CB -0.009 32.450 32.500 -0.068 0.000 0.853 342 K HN 0.448 8.698 8.250 -0.000 0.000 0.523 343 N N 0.911 119.491 118.700 -0.201 0.000 2.714 343 N HA -0.196 4.557 4.740 0.022 0.000 0.250 343 N C -0.550 174.769 175.510 -0.319 0.000 1.117 343 N CA 0.788 53.713 53.050 -0.208 0.000 0.719 343 N CB -1.372 37.028 38.487 -0.144 0.000 1.081 343 N HN 0.301 8.681 8.380 -0.000 0.000 0.557 344 L N -4.779 116.086 121.223 -0.596 0.000 4.040 344 L HA -0.301 4.052 4.340 0.022 0.000 0.410 344 L C 0.565 177.011 176.870 -0.706 0.000 1.187 344 L CA 0.570 54.783 54.840 -1.045 0.000 0.956 344 L CB -2.534 39.216 42.059 -0.515 0.000 2.022 344 L HN 0.412 8.642 8.230 -0.000 0.000 0.897 345 A N 0.499 123.063 122.820 -0.427 0.000 2.462 345 A HA 0.555 4.888 4.320 0.022 0.000 0.243 345 A C 0.923 178.513 177.584 0.011 0.000 1.076 345 A CA 0.816 52.804 52.037 -0.082 0.000 0.773 345 A CB 0.296 19.300 19.000 0.006 0.000 1.010 345 A HN 0.404 8.554 8.150 -0.000 0.000 0.493 346 T N 0.225 114.767 114.554 -0.020 0.000 2.885 346 T HA 0.534 4.897 4.350 0.022 0.000 0.285 346 T C -0.463 174.108 174.700 -0.215 0.000 1.019 346 T CA -0.733 61.222 62.100 -0.241 0.000 1.010 346 T CB 1.173 69.941 68.868 -0.166 0.000 1.022 346 T HN 0.645 8.885 8.240 -0.000 0.000 0.466 347 L N 3.878 124.906 121.223 -0.325 0.000 2.278 347 L HA 0.519 4.872 4.340 0.022 0.000 0.287 347 L C 0.409 177.185 176.870 -0.158 0.000 1.072 347 L CA 0.348 54.849 54.840 -0.565 0.000 0.819 347 L CB 0.190 41.972 42.059 -0.462 0.000 1.176 347 L HN 1.088 9.318 8.230 -0.000 0.000 0.435 348 T N 0.203 114.678 114.554 -0.131 0.000 2.950 348 T HA 0.386 4.749 4.350 0.022 0.000 0.288 348 T C 1.160 175.856 174.700 -0.006 0.000 1.035 348 T CA -0.104 61.987 62.100 -0.015 0.000 1.028 348 T CB 1.251 70.120 68.868 0.003 0.000 1.109 348 T HN 0.588 8.828 8.240 -0.000 0.000 0.514 349 S N 0.276 115.989 115.700 0.021 0.000 2.419 349 S HA -0.134 4.349 4.470 0.022 0.000 0.233 349 S C 1.848 176.458 174.600 0.016 0.000 1.016 349 S CA 1.327 59.540 58.200 0.021 0.000 0.974 349 S CB -1.427 61.788 63.200 0.024 0.000 0.786 349 S HN 0.797 9.107 8.310 -0.000 0.000 0.492 350 T N 2.587 117.151 114.554 0.016 0.000 2.759 350 T HA 0.058 4.421 4.350 0.022 0.000 0.269 350 T C 1.941 176.656 174.700 0.025 0.000 1.042 350 T CA 1.386 63.498 62.100 0.020 0.000 1.140 350 T CB -0.583 68.298 68.868 0.022 0.000 0.864 350 T HN 0.660 8.900 8.240 -0.000 0.000 0.455 351 A N -0.273 122.561 122.820 0.024 0.000 2.238 351 A HA 0.128 4.461 4.320 0.022 0.000 0.208 351 A C 2.368 179.974 177.584 0.037 0.000 1.177 351 A CA 0.284 52.349 52.037 0.047 0.000 0.804 351 A CB -0.841 18.198 19.000 0.065 0.000 0.823 351 A HN 0.604 8.754 8.150 -0.000 0.000 0.482 352 c N -0.889 117.721 118.600 0.018 0.000 2.631 352 c HA 0.565 5.148 4.570 0.022 0.000 0.283 352 c C 1.391 175.492 174.090 0.017 0.000 1.295 352 c CA 1.310 57.648 56.329 0.015 0.000 1.697 352 c CB -0.329 42.189 42.510 0.014 0.000 2.128 352 c HN 0.838 9.068 8.230 -0.000 0.000 0.503 353 K N 0.000 120.411 120.400 0.018 0.000 2.780 353 K HA 0.000 4.333 4.320 0.022 0.000 0.191 353 K CA 0.000 56.287 56.287 -0.000 0.000 0.838 353 K CB 0.000 32.500 32.500 -0.000 0.000 1.064 353 K HN 0.000 8.250 8.250 -0.000 0.000 0.543