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 3p4r_1_A DATA FIRST_RESID 0 DATA SEQUENCE MQTFQADLAI VGAGGAGLRA AIAAAQANPN AKIALISKVY PMRSHTVAAE DATA SEQUENCE GGSAAVAQDH DSFEYHFHDT VAGGDWLCEQ DVVDYFVHHC PTEMTQLELW DATA SEQUENCE GCPWSRRPDG SVNVRRFGGM KIERTWFAAD KTGFHMLHTL FQTSLQFPQI DATA SEQUENCE QRFDEHFVLD ILVDDGHVRG LVAMNMMEGT LVQIRANAVV MATGGAGRVY DATA SEQUENCE RYNTNGGIVT GDGMGMALSH GVPLRDMEFV QYHPTGLPGS GILMTEGCRG DATA SEQUENCE EGGILVNKNG YRYLQDYGMG PETPLGEPKN KYMELGPRDK VSQAFWHEWR DATA SEQUENCE KGNTISTPRG DVVYLDLRHL GEKKLHERLP FICELAKAYV GVDPVKEPIP DATA SEQUENCE VRPTAHYTMG GIETDQNCET RIKGLFAVGE CSSVGLHGAN RLGSNSLAEL DATA SEQUENCE VVFGRLAGEQ ATERAATAGN GNEAAIEAQA AGVEQRLKDL VNQDGGENWA DATA SEQUENCE KIRDEMGLAM EEGCGIYRTP ELMQKTIDKL AELQERFKRV RITDTSSVFN DATA SEQUENCE TDLLYTIELG HGLNVAECMA HSAMARKESR GAHQRLDEGC TERDDVNFLK DATA SEQUENCE HTLAFRDADG TTRLEYSDVK ITTLPPA 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 0 M HA 0.000 nan 4.480 nan 0.000 0.227 0 M C 0.000 176.351 176.300 0.084 0.000 1.140 0 M CA 0.000 55.341 55.300 0.068 0.000 0.988 0 M CB 0.000 32.638 32.600 0.064 0.000 1.302 1 Q N 1.986 121.862 119.800 0.125 0.000 2.337 1 Q HA 0.386 4.713 4.340 -0.022 0.000 0.270 1 Q C -0.930 175.197 176.000 0.211 0.000 1.002 1 Q CA 1.119 57.011 55.803 0.149 0.000 0.888 1 Q CB 1.022 29.898 28.738 0.229 0.000 1.222 1 Q HN 0.588 nan 8.270 nan 0.000 0.400 2 T N 4.569 119.181 114.554 0.096 0.000 2.824 2 T HA 0.610 4.946 4.350 -0.022 0.000 0.280 2 T C -0.971 173.753 174.700 0.041 0.000 0.995 2 T CA -0.224 61.949 62.100 0.121 0.000 1.009 2 T CB 0.304 69.196 68.868 0.039 0.000 0.955 2 T HN 0.430 nan 8.240 nan 0.000 0.452 3 F N 1.734 121.717 119.950 0.055 0.000 2.551 3 F HA 0.422 4.932 4.527 -0.028 0.000 0.316 3 F C 0.433 176.259 175.800 0.043 0.000 1.089 3 F CA -1.211 56.837 58.000 0.079 0.000 0.915 3 F CB 1.878 40.968 39.000 0.150 0.000 1.186 3 F HN 0.198 nan 8.300 nan 0.000 0.456 4 Q N 2.181 122.089 119.800 0.180 0.000 2.235 4 Q HA 0.787 5.114 4.340 -0.022 0.000 0.250 4 Q C -0.773 175.308 176.000 0.136 0.000 0.909 4 Q CA -0.596 55.276 55.803 0.114 0.000 0.910 4 Q CB 2.112 30.886 28.738 0.060 0.000 1.223 4 Q HN 0.767 nan 8.270 nan 0.000 0.432 5 A N 1.888 124.760 122.820 0.087 0.000 2.594 5 A HA 0.435 4.742 4.320 -0.022 0.000 0.295 5 A C -0.513 177.097 177.584 0.044 0.000 1.071 5 A CA -0.652 51.428 52.037 0.071 0.000 0.685 5 A CB 1.061 20.092 19.000 0.052 0.000 1.285 5 A HN 0.638 nan 8.150 nan 0.000 0.405 6 D N -0.106 120.316 120.400 0.036 0.000 2.149 6 D HA 0.189 4.815 4.640 -0.022 0.000 0.201 6 D C 0.695 177.006 176.300 0.020 0.000 0.972 6 D CA 1.862 55.878 54.000 0.026 0.000 0.835 6 D CB 0.058 40.869 40.800 0.019 0.000 0.966 6 D HN 0.595 nan 8.370 nan 0.000 0.476 7 L N -3.420 117.807 121.223 0.008 0.000 2.518 7 L HA 0.836 5.163 4.340 -0.022 0.000 0.257 7 L C -1.938 174.919 176.870 -0.022 0.000 0.980 7 L CA -1.485 53.352 54.840 -0.005 0.000 0.837 7 L CB 2.225 44.269 42.059 -0.026 0.000 1.410 7 L HN -0.231 nan 8.230 nan 0.000 0.410 8 A N 2.939 125.738 122.820 -0.036 0.000 2.330 8 A HA 0.834 5.140 4.320 -0.022 0.000 0.313 8 A C -0.823 176.719 177.584 -0.069 0.000 1.124 8 A CA -0.501 51.493 52.037 -0.073 0.000 0.774 8 A CB 1.093 20.029 19.000 -0.106 0.000 1.198 8 A HN 0.682 nan 8.150 nan 0.000 0.465 9 I N 2.558 123.083 120.570 -0.075 0.000 2.336 9 I HA 0.317 4.473 4.170 -0.022 0.000 0.292 9 I C -0.500 175.564 176.117 -0.089 0.000 0.991 9 I CA -0.742 60.518 61.300 -0.067 0.000 1.227 9 I CB 1.880 39.850 38.000 -0.051 0.000 1.366 9 I HN 0.299 nan 8.210 nan 0.000 0.466 10 V N 5.833 125.692 119.914 -0.091 0.000 2.364 10 V HA 0.748 4.855 4.120 -0.022 0.000 0.272 10 V C 0.468 176.500 176.094 -0.103 0.000 1.036 10 V CA -0.285 61.945 62.300 -0.117 0.000 0.880 10 V CB 0.556 32.298 31.823 -0.135 0.000 0.991 10 V HN 1.062 nan 8.190 nan 0.000 0.460 11 G N 4.215 112.953 108.800 -0.104 0.000 3.233 11 G HA2 0.282 4.228 3.960 -0.022 0.000 0.686 11 G HA3 0.282 4.228 3.960 -0.022 0.000 0.686 11 G C -0.091 174.777 174.900 -0.053 0.000 1.153 11 G CA -0.234 44.815 45.100 -0.086 0.000 0.853 11 G HN 1.386 nan 8.290 nan 0.000 0.582 12 A N 1.725 124.515 122.820 -0.050 0.000 2.545 12 A HA 0.754 5.061 4.320 -0.022 0.000 0.277 12 A C 1.613 179.180 177.584 -0.027 0.000 1.301 12 A CA 1.245 53.263 52.037 -0.032 0.000 0.935 12 A CB -0.175 18.796 19.000 -0.048 0.000 1.093 12 A HN 2.221 nan 8.150 nan 0.000 0.519 13 G N -0.892 107.899 108.800 -0.016 0.000 2.590 13 G HA2 0.343 4.289 3.960 -0.022 0.000 0.276 13 G HA3 0.343 4.289 3.960 -0.022 0.000 0.276 13 G C 1.190 176.108 174.900 0.029 0.000 1.337 13 G CA 0.061 45.165 45.100 0.007 0.000 1.030 13 G HN 0.514 nan 8.290 nan 0.000 0.534 14 G N -0.004 108.825 108.800 0.048 0.000 2.545 14 G HA2 -0.051 3.895 3.960 -0.022 0.000 0.217 14 G HA3 -0.051 3.895 3.960 -0.022 0.000 0.217 14 G C 2.086 177.035 174.900 0.082 0.000 1.218 14 G CA 2.224 47.367 45.100 0.072 0.000 0.787 14 G HN 1.050 nan 8.290 nan 0.000 0.571 15 A N 0.776 123.646 122.820 0.084 0.000 1.883 15 A HA 0.090 4.397 4.320 -0.022 0.000 0.217 15 A C 2.756 180.372 177.584 0.054 0.000 1.186 15 A CA 2.385 54.474 52.037 0.087 0.000 0.624 15 A CB -1.253 17.803 19.000 0.094 0.000 0.822 15 A HN 0.690 nan 8.150 nan 0.000 0.444 16 G N -0.308 108.510 108.800 0.031 0.000 2.446 16 G HA2 -0.197 3.750 3.960 -0.022 0.000 0.217 16 G HA3 -0.197 3.750 3.960 -0.022 0.000 0.217 16 G C 1.584 176.491 174.900 0.011 0.000 1.168 16 G CA 1.102 46.207 45.100 0.008 0.000 0.771 16 G HN 0.433 nan 8.290 nan 0.000 0.551 17 L N -0.301 120.940 121.223 0.029 0.000 2.046 17 L HA -0.024 4.303 4.340 -0.022 0.000 0.208 17 L C 2.934 179.817 176.870 0.023 0.000 1.077 17 L CA 1.126 55.987 54.840 0.035 0.000 0.747 17 L CB -0.254 41.845 42.059 0.067 0.000 0.896 17 L HN 0.136 nan 8.230 nan 0.000 0.432 18 R N 0.534 121.068 120.500 0.057 0.000 2.105 18 R HA -0.144 4.183 4.340 -0.022 0.000 0.239 18 R C 2.133 178.454 176.300 0.035 0.000 1.135 18 R CA 1.695 57.845 56.100 0.083 0.000 0.967 18 R CB -0.602 29.774 30.300 0.127 0.000 0.861 18 R HN 0.345 nan 8.270 nan 0.000 0.442 19 A N -0.019 122.806 122.820 0.008 0.000 1.930 19 A HA 0.048 4.355 4.320 -0.022 0.000 0.217 19 A C 2.341 179.882 177.584 -0.073 0.000 1.175 19 A CA 1.496 53.511 52.037 -0.036 0.000 0.627 19 A CB -0.969 18.004 19.000 -0.045 0.000 0.815 19 A HN 0.451 nan 8.150 nan 0.000 0.443 20 A N 0.342 123.124 122.820 -0.064 0.000 1.851 20 A HA -0.161 4.146 4.320 -0.022 0.000 0.216 20 A C 2.106 179.583 177.584 -0.178 0.000 1.195 20 A CA 1.770 53.754 52.037 -0.088 0.000 0.622 20 A CB -0.767 18.206 19.000 -0.045 0.000 0.831 20 A HN 0.483 nan 8.150 nan 0.000 0.444 21 I N -0.135 120.306 120.570 -0.215 0.000 2.099 21 I HA -0.309 3.848 4.170 -0.022 0.000 0.239 21 I C 3.007 178.900 176.117 -0.373 0.000 1.066 21 I CA 1.283 62.322 61.300 -0.435 0.000 1.324 21 I CB -0.524 37.255 38.000 -0.369 0.000 1.037 21 I HN 0.362 nan 8.210 nan 0.000 0.401 22 A N 0.773 123.501 122.820 -0.153 0.000 1.915 22 A HA -0.336 3.971 4.320 -0.022 0.000 0.220 22 A C 2.506 180.008 177.584 -0.137 0.000 1.198 22 A CA 2.642 54.624 52.037 -0.092 0.000 0.647 22 A CB -1.181 17.796 19.000 -0.037 0.000 0.825 22 A HN 0.504 nan 8.150 nan 0.000 0.456 23 A N -0.724 122.004 122.820 -0.155 0.000 1.930 23 A HA 0.214 4.520 4.320 -0.022 0.000 0.217 23 A C 2.489 179.983 177.584 -0.149 0.000 1.175 23 A CA 2.051 54.007 52.037 -0.135 0.000 0.627 23 A CB -0.919 18.009 19.000 -0.120 0.000 0.815 23 A HN 1.165 nan 8.150 nan 0.000 0.443 24 A N -0.866 121.805 122.820 -0.248 0.000 1.929 24 A HA -0.140 4.167 4.320 -0.022 0.000 0.216 24 A C 2.095 179.553 177.584 -0.209 0.000 1.176 24 A CA 1.487 53.369 52.037 -0.258 0.000 0.628 24 A CB -0.428 18.306 19.000 -0.443 0.000 0.816 24 A HN 0.636 nan 8.150 nan 0.000 0.444 25 Q N -0.837 118.799 119.800 -0.273 0.000 2.187 25 Q HA 0.036 4.362 4.340 -0.022 0.000 0.199 25 Q C 2.315 178.300 176.000 -0.025 0.000 0.957 25 Q CA 1.022 56.773 55.803 -0.085 0.000 0.857 25 Q CB -0.249 28.462 28.738 -0.045 0.000 0.929 25 Q HN 0.674 nan 8.270 nan 0.000 0.453 26 A N 1.168 123.958 122.820 -0.049 0.000 1.968 26 A HA -0.077 4.230 4.320 -0.022 0.000 0.217 26 A C 0.849 178.423 177.584 -0.016 0.000 1.169 26 A CA 0.969 52.991 52.037 -0.025 0.000 0.638 26 A CB 0.079 19.057 19.000 -0.037 0.000 0.812 26 A HN 0.292 nan 8.150 nan 0.000 0.446 27 N N -1.518 117.168 118.700 -0.024 0.000 2.558 27 N HA 0.360 5.086 4.740 -0.022 0.000 0.285 27 N C -2.793 172.717 175.510 0.001 0.000 1.112 27 N CA -1.802 51.244 53.050 -0.007 0.000 0.857 27 N CB 1.618 40.100 38.487 -0.008 0.000 1.376 27 N HN -0.228 nan 8.380 nan 0.000 0.526 28 P HA 0.024 nan 4.420 nan 0.000 0.222 28 P C 0.114 177.437 177.300 0.039 0.000 1.147 28 P CA 0.867 63.994 63.100 0.045 0.000 0.790 28 P CB 0.306 32.038 31.700 0.053 0.000 0.780 29 N N -0.793 117.923 118.700 0.026 0.000 2.268 29 N HA 0.143 4.869 4.740 -0.022 0.000 0.204 29 N C 0.457 175.982 175.510 0.023 0.000 1.124 29 N CA -0.008 53.057 53.050 0.025 0.000 0.838 29 N CB -0.077 38.423 38.487 0.021 0.000 0.994 29 N HN 0.061 nan 8.380 nan 0.000 0.489 30 A N 0.726 123.557 122.820 0.019 0.000 2.351 30 A HA 0.251 4.558 4.320 -0.022 0.000 0.257 30 A C 0.572 178.173 177.584 0.030 0.000 1.087 30 A CA -0.078 51.969 52.037 0.017 0.000 0.798 30 A CB 0.707 19.707 19.000 -0.001 0.000 1.033 30 A HN -0.114 nan 8.150 nan 0.000 0.488 31 K N 2.549 122.972 120.400 0.038 0.000 2.389 31 K HA 0.493 4.800 4.320 -0.022 0.000 0.261 31 K C -1.317 175.318 176.600 0.058 0.000 1.014 31 K CA -0.088 56.235 56.287 0.060 0.000 0.920 31 K CB 0.111 32.657 32.500 0.076 0.000 1.149 31 K HN 0.620 nan 8.250 nan 0.000 0.444 32 I N 2.253 122.856 120.570 0.055 0.000 2.460 32 I HA 0.384 4.541 4.170 -0.022 0.000 0.298 32 I C 0.064 176.234 176.117 0.088 0.000 0.989 32 I CA -0.974 60.350 61.300 0.040 0.000 1.173 32 I CB 1.994 39.997 38.000 0.005 0.000 1.338 32 I HN 0.492 nan 8.210 nan 0.000 0.456 33 A N 6.654 129.510 122.820 0.061 0.000 2.277 33 A HA 0.624 4.930 4.320 -0.022 0.000 0.318 33 A C -0.957 176.641 177.584 0.024 0.000 1.339 33 A CA -0.436 51.657 52.037 0.094 0.000 0.875 33 A CB 0.587 19.499 19.000 -0.147 0.000 1.158 33 A HN 0.566 nan 8.150 nan 0.000 0.514 34 L N 4.266 125.565 121.223 0.126 0.000 2.257 34 L HA 0.617 4.944 4.340 -0.022 0.000 0.290 34 L C -0.775 176.133 176.870 0.063 0.000 1.044 34 L CA -0.109 54.767 54.840 0.060 0.000 0.810 34 L CB 0.341 42.441 42.059 0.069 0.000 1.193 34 L HN 0.570 nan 8.230 nan 0.000 0.425 35 I N 3.967 124.510 120.570 -0.045 0.000 2.406 35 I HA 0.559 4.716 4.170 -0.022 0.000 0.290 35 I C -0.180 175.891 176.117 -0.077 0.000 0.999 35 I CA -0.276 60.971 61.300 -0.088 0.000 1.124 35 I CB 1.883 39.759 38.000 -0.207 0.000 1.289 35 I HN 0.574 nan 8.210 nan 0.000 0.441 36 S N 4.164 119.830 115.700 -0.056 0.000 2.543 36 S HA 0.300 4.756 4.470 -0.022 0.000 0.271 36 S C 0.392 174.948 174.600 -0.073 0.000 1.148 36 S CA -0.882 57.268 58.200 -0.083 0.000 0.914 36 S CB 1.304 64.457 63.200 -0.078 0.000 1.096 36 S HN 0.778 nan 8.310 nan 0.000 0.471 37 K N 2.058 122.389 120.400 -0.115 0.000 2.432 37 K HA 0.130 4.437 4.320 -0.022 0.000 0.196 37 K C 0.719 177.294 176.600 -0.042 0.000 1.038 37 K CA 0.808 57.052 56.287 -0.072 0.000 0.986 37 K CB -0.394 32.029 32.500 -0.128 0.000 0.782 37 K HN 0.447 nan 8.250 nan 0.000 0.485 38 V N -2.600 117.273 119.914 -0.069 0.000 3.155 38 V HA 0.421 4.528 4.120 -0.022 0.000 0.313 38 V C -0.653 175.350 176.094 -0.151 0.000 1.162 38 V CA -1.613 60.647 62.300 -0.068 0.000 1.048 38 V CB 0.596 32.431 31.823 0.021 0.000 1.092 38 V HN 0.002 nan 8.190 nan 0.000 0.447 39 Y N 1.534 121.816 120.300 -0.030 0.000 2.511 39 Y HA 0.280 4.818 4.550 -0.021 0.000 0.332 39 Y C -1.381 174.361 175.900 -0.263 0.000 1.177 39 Y CA -0.875 57.140 58.100 -0.141 0.000 1.422 39 Y CB 0.271 38.648 38.460 -0.138 0.000 1.271 39 Y HN 0.482 nan 8.280 nan 0.000 0.550 40 P HA -0.294 nan 4.420 nan 0.000 0.218 40 P C 1.415 178.469 177.300 -0.410 0.000 1.150 40 P CA 1.974 64.833 63.100 -0.400 0.000 0.841 40 P CB 0.043 31.323 31.700 -0.700 0.000 0.784 41 M N -3.148 116.136 119.600 -0.527 0.000 2.561 41 M HA 0.187 4.654 4.480 -0.022 0.000 0.238 41 M C 0.977 177.223 176.300 -0.090 0.000 1.131 41 M CA 1.280 56.350 55.300 -0.383 0.000 1.046 41 M CB -0.624 31.586 32.600 -0.649 0.000 1.532 41 M HN -0.235 nan 8.290 nan 0.000 0.497 42 R N 1.109 121.587 120.500 -0.037 0.000 2.280 42 R HA 0.297 4.624 4.340 -0.022 0.000 0.195 42 R C 0.308 176.645 176.300 0.063 0.000 0.935 42 R CA 0.114 56.247 56.100 0.055 0.000 1.033 42 R CB -0.107 30.245 30.300 0.086 0.000 0.964 42 R HN 0.394 nan 8.270 nan 0.000 0.489 43 S N 0.369 116.083 115.700 0.023 0.000 2.558 43 S HA -0.105 4.352 4.470 -0.022 0.000 0.287 43 S C 0.891 175.551 174.600 0.101 0.000 1.321 43 S CA -0.122 58.105 58.200 0.045 0.000 1.048 43 S CB 0.585 63.791 63.200 0.009 0.000 0.844 43 S HN 0.374 nan 8.310 nan 0.000 0.512 44 H N 2.517 121.600 119.070 0.021 0.000 2.457 44 H HA -0.096 4.446 4.556 -0.023 0.000 0.297 44 H C 1.850 177.213 175.328 0.059 0.000 1.092 44 H CA 2.293 58.363 56.048 0.036 0.000 1.309 44 H CB -0.660 29.110 29.762 0.013 0.000 1.382 44 H HN 0.651 nan 8.280 nan 0.000 0.535 45 T N -0.429 114.108 114.554 -0.028 0.000 2.680 45 T HA -0.229 4.108 4.350 -0.022 0.000 0.268 45 T C 2.148 176.820 174.700 -0.047 0.000 1.033 45 T CA 1.487 63.557 62.100 -0.051 0.000 1.152 45 T CB -0.847 68.036 68.868 0.025 0.000 0.859 45 T HN 0.291 nan 8.240 nan 0.000 0.452 46 V N 1.044 120.966 119.914 0.013 0.000 2.794 46 V HA -0.124 3.983 4.120 -0.022 0.000 0.260 46 V C 2.253 178.398 176.094 0.085 0.000 1.103 46 V CA 1.765 64.123 62.300 0.096 0.000 1.125 46 V CB -0.722 31.209 31.823 0.180 0.000 0.702 46 V HN 0.560 nan 8.190 nan 0.000 0.494 47 A N -0.646 122.156 122.820 -0.030 0.000 2.238 47 A HA 0.622 4.929 4.320 -0.022 0.000 0.210 47 A C 1.278 178.877 177.584 0.026 0.000 1.179 47 A CA 0.598 52.645 52.037 0.017 0.000 0.827 47 A CB -0.337 18.645 19.000 -0.031 0.000 0.856 47 A HN 0.762 nan 8.150 nan 0.000 0.488 48 A N 0.919 123.722 122.820 -0.028 0.000 2.488 48 A HA 0.401 4.707 4.320 -0.022 0.000 0.249 48 A C 0.917 178.562 177.584 0.102 0.000 1.083 48 A CA 0.407 52.460 52.037 0.026 0.000 0.768 48 A CB 0.091 19.096 19.000 0.009 0.000 1.017 48 A HN 0.598 nan 8.150 nan 0.000 0.496 49 E N 3.087 123.356 120.200 0.115 0.000 2.367 49 E HA 0.075 4.412 4.350 -0.022 0.000 0.204 49 E C 1.678 178.343 176.600 0.108 0.000 0.840 49 E CA 0.572 57.072 56.400 0.168 0.000 1.051 49 E CB -0.341 29.501 29.700 0.237 0.000 1.051 49 E HN 0.644 nan 8.360 nan 0.000 0.509 50 G N 2.039 110.813 108.800 -0.043 0.000 2.604 50 G HA2 0.175 4.122 3.960 -0.022 0.000 0.216 50 G HA3 0.175 4.122 3.960 -0.022 0.000 0.216 50 G C 0.753 175.371 174.900 -0.470 0.000 1.265 50 G CA 1.161 45.985 45.100 -0.459 0.000 0.804 50 G HN 0.599 nan 8.290 nan 0.000 0.579 51 G N -2.377 106.244 108.800 -0.298 0.000 2.336 51 G HA2 0.403 4.349 3.960 -0.022 0.000 0.300 51 G HA3 0.403 4.349 3.960 -0.022 0.000 0.300 51 G C -1.210 173.725 174.900 0.060 0.000 1.375 51 G CA 0.343 45.455 45.100 0.020 0.000 0.885 51 G HN 0.683 nan 8.290 nan 0.000 0.599 52 S N -0.898 114.935 115.700 0.221 0.000 2.489 52 S HA 0.780 5.236 4.470 -0.022 0.000 0.291 52 S C 0.433 175.071 174.600 0.064 0.000 1.151 52 S CA 0.352 58.647 58.200 0.157 0.000 1.082 52 S CB 1.001 64.352 63.200 0.251 0.000 1.019 52 S HN 1.804 nan 8.310 nan 0.000 0.492 53 A N 3.005 125.863 122.820 0.063 0.000 2.301 53 A HA 0.884 5.191 4.320 -0.022 0.000 0.312 53 A C -0.193 177.330 177.584 -0.102 0.000 1.182 53 A CA -0.386 51.678 52.037 0.045 0.000 0.826 53 A CB 0.638 19.737 19.000 0.166 0.000 1.134 53 A HN 1.353 nan 8.150 nan 0.000 0.501 54 A N 1.810 124.527 122.820 -0.171 0.000 2.565 54 A HA 0.540 4.846 4.320 -0.022 0.000 0.298 54 A C -0.847 176.727 177.584 -0.017 0.000 1.062 54 A CA -0.475 51.431 52.037 -0.219 0.000 0.723 54 A CB 0.591 19.205 19.000 -0.645 0.000 1.282 54 A HN 1.272 nan 8.150 nan 0.000 0.400 55 V N 1.997 121.845 119.914 -0.110 0.000 2.458 55 V HA 0.360 4.467 4.120 -0.022 0.000 0.287 55 V C 1.162 177.202 176.094 -0.089 0.000 1.009 55 V CA 1.494 63.663 62.300 -0.217 0.000 1.091 55 V CB 0.363 31.830 31.823 -0.593 0.000 0.960 55 V HN 1.440 nan 8.190 nan 0.000 0.476 56 A N 4.102 126.879 122.820 -0.072 0.000 2.027 56 A HA 0.240 4.547 4.320 -0.022 0.000 0.196 56 A C 0.882 178.372 177.584 -0.157 0.000 1.573 56 A CA -0.144 51.855 52.037 -0.064 0.000 1.097 56 A CB 0.146 19.082 19.000 -0.107 0.000 1.196 56 A HN 0.644 nan 8.150 nan 0.000 0.462 57 Q N 0.948 120.622 119.800 -0.209 0.000 2.327 57 Q HA 0.123 4.450 4.340 -0.022 0.000 0.254 57 Q C -0.173 175.698 176.000 -0.215 0.000 0.952 57 Q CA -0.363 55.303 55.803 -0.228 0.000 0.884 57 Q CB 0.821 29.344 28.738 -0.358 0.000 1.224 57 Q HN 0.349 nan 8.270 nan 0.000 0.422 58 D N 1.025 121.370 120.400 -0.091 0.000 2.158 58 D HA -0.191 4.436 4.640 -0.022 0.000 0.197 58 D C 1.335 177.634 176.300 -0.001 0.000 0.995 58 D CA 1.688 55.672 54.000 -0.027 0.000 0.846 58 D CB 0.010 40.829 40.800 0.032 0.000 0.941 58 D HN 0.663 nan 8.370 nan 0.000 0.456 59 H N -1.533 117.519 119.070 -0.030 0.000 2.533 59 H HA 0.247 4.790 4.556 -0.022 0.000 0.271 59 H C 0.424 175.770 175.328 0.030 0.000 1.000 59 H CA -0.367 55.677 56.048 -0.006 0.000 1.149 59 H CB 0.152 29.895 29.762 -0.032 0.000 1.375 59 H HN -0.159 nan 8.280 nan 0.000 0.582 60 D N 0.667 120.921 120.400 -0.244 0.000 2.451 60 D HA 0.358 4.985 4.640 -0.022 0.000 0.259 60 D C -0.239 176.110 176.300 0.083 0.000 1.201 60 D CA -0.225 53.714 54.000 -0.101 0.000 1.028 60 D CB 1.666 42.310 40.800 -0.259 0.000 1.095 60 D HN 0.316 nan 8.370 nan 0.000 0.539 61 S N -0.362 115.428 115.700 0.150 0.000 2.543 61 S HA 0.213 4.670 4.470 -0.022 0.000 0.274 61 S C 0.353 174.857 174.600 -0.161 0.000 1.149 61 S CA -0.665 57.444 58.200 -0.152 0.000 0.866 61 S CB 0.083 63.039 63.200 -0.406 0.000 1.111 61 S HN 0.318 nan 8.310 nan 0.000 0.457 62 F N 1.778 121.678 119.950 -0.084 0.000 2.202 62 F HA -0.021 4.493 4.527 -0.022 0.000 0.301 62 F C 2.462 178.232 175.800 -0.051 0.000 1.082 62 F CA 1.594 59.525 58.000 -0.116 0.000 1.313 62 F CB -0.022 38.750 39.000 -0.379 0.000 1.024 62 F HN 0.783 nan 8.300 nan 0.000 0.495 63 E N -0.062 120.148 120.200 0.017 0.000 2.153 63 E HA -0.218 4.118 4.350 -0.022 0.000 0.194 63 E C 1.736 178.399 176.600 0.105 0.000 0.988 63 E CA 1.541 57.926 56.400 -0.024 0.000 0.811 63 E CB -0.495 29.081 29.700 -0.207 0.000 0.746 63 E HN 0.471 nan 8.360 nan 0.000 0.466 64 Y N -0.602 119.792 120.300 0.156 0.000 2.220 64 Y HA -0.039 4.498 4.550 -0.022 0.000 0.291 64 Y C 2.469 178.520 175.900 0.251 0.000 1.129 64 Y CA 1.552 59.748 58.100 0.160 0.000 1.161 64 Y CB -0.989 37.508 38.460 0.063 0.000 0.997 64 Y HN 0.312 nan 8.280 nan 0.000 0.522 65 H N -1.191 118.038 119.070 0.266 0.000 2.321 65 H HA -0.240 4.303 4.556 -0.022 0.000 0.300 65 H C 2.141 177.614 175.328 0.241 0.000 1.087 65 H CA 1.403 57.576 56.048 0.209 0.000 1.319 65 H CB -0.313 29.538 29.762 0.149 0.000 1.379 65 H HN 0.330 nan 8.280 nan 0.000 0.501 66 F N 0.639 120.684 119.950 0.158 0.000 2.046 66 F HA -0.275 4.239 4.527 -0.023 0.000 0.297 66 F C 2.719 178.559 175.800 0.066 0.000 1.123 66 F CA 2.161 60.200 58.000 0.064 0.000 1.199 66 F CB -0.659 38.379 39.000 0.064 0.000 0.972 66 F HN 0.207 nan 8.300 nan 0.000 0.474 67 H N 0.226 119.480 119.070 0.307 0.000 2.289 67 H HA -0.203 4.340 4.556 -0.022 0.000 0.296 67 H C 2.002 177.308 175.328 -0.037 0.000 1.091 67 H CA 2.490 58.620 56.048 0.136 0.000 1.274 67 H CB -0.703 29.191 29.762 0.221 0.000 1.364 67 H HN 0.252 nan 8.280 nan 0.000 0.490 68 D N -1.085 119.409 120.400 0.157 0.000 2.133 68 D HA -0.145 4.482 4.640 -0.022 0.000 0.195 68 D C 2.110 178.371 176.300 -0.065 0.000 0.997 68 D CA 1.859 55.906 54.000 0.079 0.000 0.840 68 D CB -0.501 40.424 40.800 0.207 0.000 0.947 68 D HN 0.448 nan 8.370 nan 0.000 0.452 69 T N -0.078 114.410 114.554 -0.109 0.000 2.668 69 T HA -0.077 4.260 4.350 -0.022 0.000 0.258 69 T C 2.257 176.751 174.700 -0.344 0.000 1.051 69 T CA 0.992 62.988 62.100 -0.174 0.000 1.155 69 T CB -0.528 68.238 68.868 -0.170 0.000 0.864 69 T HN -0.062 nan 8.240 nan 0.000 0.413 70 V N 1.908 121.482 119.914 -0.567 0.000 2.324 70 V HA -0.234 3.872 4.120 -0.022 0.000 0.250 70 V C 2.840 178.345 176.094 -0.981 0.000 1.060 70 V CA 1.894 63.721 62.300 -0.788 0.000 1.042 70 V CB -1.218 30.002 31.823 -1.006 0.000 0.650 70 V HN 0.555 nan 8.190 nan 0.000 0.450 71 A N 0.344 122.618 122.820 -0.909 0.000 1.872 71 A HA -0.010 4.297 4.320 -0.022 0.000 0.214 71 A C 2.382 179.785 177.584 -0.302 0.000 1.187 71 A CA 1.657 53.227 52.037 -0.779 0.000 0.614 71 A CB -1.113 17.581 19.000 -0.510 0.000 0.826 71 A HN 0.538 nan 8.150 nan 0.000 0.442 72 G N -0.990 107.677 108.800 -0.222 0.000 2.598 72 G HA2 0.173 4.120 3.960 -0.022 0.000 0.215 72 G HA3 0.173 4.120 3.960 -0.022 0.000 0.215 72 G C 1.163 175.998 174.900 -0.110 0.000 1.131 72 G CA 1.022 46.059 45.100 -0.105 0.000 0.785 72 G HN 0.726 nan 8.290 nan 0.000 0.539 73 G N -0.641 108.047 108.800 -0.187 0.000 3.088 73 G HA2 0.253 4.199 3.960 -0.022 0.000 0.217 73 G HA3 0.253 4.199 3.960 -0.022 0.000 0.217 73 G C 0.426 175.248 174.900 -0.130 0.000 1.159 73 G CA 0.480 45.478 45.100 -0.170 0.000 0.760 73 G HN 0.184 nan 8.290 nan 0.000 0.550 74 D N -1.086 119.291 120.400 -0.038 0.000 2.837 74 D HA -0.167 4.460 4.640 -0.022 0.000 0.230 74 D C 0.577 177.087 176.300 0.349 0.000 1.152 74 D CA 0.886 55.010 54.000 0.206 0.000 0.736 74 D CB -1.320 39.543 40.800 0.105 0.000 1.084 74 D HN 0.569 nan 8.370 nan 0.000 0.429 75 W N -1.937 119.301 121.300 -0.103 0.000 3.456 75 W HA -0.306 4.341 4.660 -0.022 0.000 0.314 75 W C 0.832 177.291 176.519 -0.099 0.000 1.192 75 W CA 0.175 57.467 57.345 -0.089 0.000 0.654 75 W CB -1.805 27.622 29.460 -0.055 0.000 2.251 75 W HN 0.270 nan 8.180 nan 0.000 1.360 76 L N -0.132 121.087 121.223 -0.007 0.000 2.653 76 L HA 0.104 4.431 4.340 -0.022 0.000 0.231 76 L C 1.176 178.038 176.870 -0.012 0.000 1.153 76 L CA 0.203 54.997 54.840 -0.077 0.000 0.933 76 L CB -0.080 41.895 42.059 -0.140 0.000 1.175 76 L HN -0.099 nan 8.230 nan 0.000 0.473 77 C N 0.703 119.963 119.300 -0.067 0.000 2.539 77 C HA 0.155 4.602 4.460 -0.022 0.000 0.392 77 C C 0.839 175.831 174.990 0.002 0.000 1.269 77 C CA -1.002 57.973 59.018 -0.071 0.000 2.250 77 C CB 0.466 28.075 27.740 -0.218 0.000 2.584 77 C HN 0.251 nan 8.230 nan 0.000 0.589 78 E N 2.175 122.389 120.200 0.024 0.000 2.029 78 E HA 0.027 4.363 4.350 -0.022 0.000 0.276 78 E C 0.828 177.455 176.600 0.045 0.000 1.163 78 E CA 0.320 56.752 56.400 0.052 0.000 0.909 78 E CB 0.343 30.059 29.700 0.026 0.000 1.046 78 E HN 0.677 nan 8.360 nan 0.000 0.406 79 Q N 1.461 121.310 119.800 0.081 0.000 2.226 79 Q HA -0.175 4.152 4.340 -0.022 0.000 0.204 79 Q C 1.202 177.377 176.000 0.291 0.000 0.975 79 Q CA 1.412 57.318 55.803 0.172 0.000 0.866 79 Q CB 0.205 29.106 28.738 0.271 0.000 0.915 79 Q HN 0.490 nan 8.270 nan 0.000 0.440 80 D N -0.233 120.286 120.400 0.197 0.000 2.178 80 D HA -0.125 4.502 4.640 -0.022 0.000 0.202 80 D C 1.729 178.158 176.300 0.215 0.000 0.974 80 D CA 0.923 55.035 54.000 0.186 0.000 0.841 80 D CB -0.389 40.482 40.800 0.118 0.000 0.953 80 D HN 0.098 nan 8.370 nan 0.000 0.478 81 V N 0.613 120.635 119.914 0.180 0.000 2.379 81 V HA -0.152 3.955 4.120 -0.022 0.000 0.243 81 V C 2.902 179.202 176.094 0.343 0.000 1.035 81 V CA 0.950 63.385 62.300 0.225 0.000 1.035 81 V CB -0.296 31.578 31.823 0.084 0.000 0.673 81 V HN 0.084 nan 8.190 nan 0.000 0.457 82 V N 0.917 120.963 119.914 0.219 0.000 2.278 82 V HA -0.391 3.715 4.120 -0.022 0.000 0.251 82 V C 2.297 178.645 176.094 0.424 0.000 1.062 82 V CA 2.713 65.148 62.300 0.225 0.000 1.038 82 V CB -0.817 30.938 31.823 -0.113 0.000 0.646 82 V HN 0.697 nan 8.190 nan 0.000 0.447 83 D N -1.252 119.461 120.400 0.522 0.000 2.092 83 D HA -0.282 4.344 4.640 -0.022 0.000 0.193 83 D C 2.055 178.590 176.300 0.390 0.000 0.994 83 D CA 1.905 56.194 54.000 0.481 0.000 0.828 83 D CB -0.276 40.740 40.800 0.360 0.000 0.963 83 D HN 0.551 nan 8.370 nan 0.000 0.450 84 Y N -0.230 120.228 120.300 0.263 0.000 2.097 84 Y HA -0.257 4.281 4.550 -0.021 0.000 0.282 84 Y C 1.996 178.004 175.900 0.180 0.000 1.152 84 Y CA 2.147 60.367 58.100 0.201 0.000 1.136 84 Y CB -0.764 37.749 38.460 0.087 0.000 0.975 84 Y HN 0.149 nan 8.280 nan 0.000 0.498 85 F N 0.795 120.845 119.950 0.167 0.000 2.043 85 F HA -0.278 4.236 4.527 -0.023 0.000 0.297 85 F C 2.443 178.204 175.800 -0.066 0.000 1.121 85 F CA 2.715 60.703 58.000 -0.019 0.000 1.199 85 F CB -1.251 37.852 39.000 0.173 0.000 0.968 85 F HN 0.003 nan 8.300 nan 0.000 0.478 86 V N -0.977 118.747 119.914 -0.316 0.000 2.332 86 V HA -0.316 3.790 4.120 -0.022 0.000 0.248 86 V C 2.442 178.335 176.094 -0.335 0.000 1.055 86 V CA 2.432 64.495 62.300 -0.396 0.000 1.038 86 V CB -1.454 30.304 31.823 -0.108 0.000 0.651 86 V HN 0.508 nan 8.190 nan 0.000 0.450 87 H N 0.332 119.162 119.070 -0.400 0.000 2.489 87 H HA -0.075 4.468 4.556 -0.023 0.000 0.293 87 H C 1.818 176.714 175.328 -0.720 0.000 1.066 87 H CA 2.164 57.731 56.048 -0.802 0.000 1.305 87 H CB -0.128 29.216 29.762 -0.697 0.000 1.386 87 H HN 0.694 nan 8.280 nan 0.000 0.551 88 H N -2.145 116.625 119.070 -0.500 0.000 2.594 88 H HA 0.119 4.663 4.556 -0.021 0.000 0.279 88 H C 2.023 177.136 175.328 -0.358 0.000 1.042 88 H CA -0.256 55.526 56.048 -0.444 0.000 1.177 88 H CB 0.106 29.523 29.762 -0.576 0.000 1.524 88 H HN 0.180 nan 8.280 nan 0.000 0.537 89 C N 1.108 120.243 119.300 -0.276 0.000 2.436 89 C HA -0.065 4.382 4.460 -0.022 0.000 0.277 89 C C -0.091 174.723 174.990 -0.294 0.000 1.241 89 C CA 0.928 59.767 59.018 -0.298 0.000 1.721 89 C CB -0.740 26.817 27.740 -0.305 0.000 2.043 89 C HN 0.481 nan 8.230 nan 0.000 0.472 90 P HA -0.048 nan 4.420 nan 0.000 0.216 90 P C 1.502 178.677 177.300 -0.209 0.000 1.153 90 P CA 1.906 64.894 63.100 -0.187 0.000 0.844 90 P CB -0.390 31.338 31.700 0.046 0.000 0.787 91 T N 0.235 114.693 114.554 -0.161 0.000 2.597 91 T HA -0.213 4.124 4.350 -0.022 0.000 0.267 91 T C 1.614 176.200 174.700 -0.191 0.000 1.053 91 T CA 1.569 63.574 62.100 -0.158 0.000 1.165 91 T CB -0.934 67.835 68.868 -0.166 0.000 0.863 91 T HN 0.137 nan 8.240 nan 0.000 0.427 92 E N 0.408 120.486 120.200 -0.203 0.000 2.072 92 E HA 0.021 4.358 4.350 -0.022 0.000 0.191 92 E C 2.156 178.622 176.600 -0.224 0.000 0.985 92 E CA 0.857 57.142 56.400 -0.192 0.000 0.801 92 E CB -0.424 29.198 29.700 -0.130 0.000 0.750 92 E HN 0.325 nan 8.360 nan 0.000 0.452 93 M N 0.166 119.535 119.600 -0.385 0.000 2.117 93 M HA -0.089 4.378 4.480 -0.022 0.000 0.262 93 M C 2.142 178.243 176.300 -0.332 0.000 1.065 93 M CA 1.422 56.374 55.300 -0.580 0.000 1.114 93 M CB -0.777 30.810 32.600 -1.688 0.000 1.361 93 M HN -0.005 nan 8.290 nan 0.000 0.408 94 T N -0.656 113.733 114.554 -0.275 0.000 2.674 94 T HA -0.210 4.127 4.350 -0.022 0.000 0.265 94 T C 1.694 176.368 174.700 -0.043 0.000 1.039 94 T CA 1.711 63.814 62.100 0.005 0.000 1.150 94 T CB -0.248 68.628 68.868 0.013 0.000 0.864 94 T HN 0.361 nan 8.240 nan 0.000 0.427 95 Q N 0.685 120.358 119.800 -0.213 0.000 2.181 95 Q HA -0.007 4.320 4.340 -0.022 0.000 0.205 95 Q C 2.059 177.738 176.000 -0.537 0.000 0.980 95 Q CA 1.381 56.903 55.803 -0.468 0.000 0.862 95 Q CB -0.696 27.667 28.738 -0.624 0.000 0.905 95 Q HN 0.506 nan 8.270 nan 0.000 0.429 96 L N 0.130 121.237 121.223 -0.193 0.000 2.046 96 L HA -0.171 4.155 4.340 -0.022 0.000 0.208 96 L C 2.585 179.549 176.870 0.157 0.000 1.077 96 L CA 1.585 56.461 54.840 0.060 0.000 0.747 96 L CB -0.507 41.695 42.059 0.238 0.000 0.896 96 L HN 0.410 nan 8.230 nan 0.000 0.432 97 E N 0.563 120.966 120.200 0.339 0.000 2.058 97 E HA -0.241 4.096 4.350 -0.022 0.000 0.194 97 E C 2.286 178.971 176.600 0.143 0.000 0.997 97 E CA 1.357 57.961 56.400 0.341 0.000 0.801 97 E CB -0.142 29.866 29.700 0.512 0.000 0.746 97 E HN 0.477 nan 8.360 nan 0.000 0.450 98 L N -0.559 120.684 121.223 0.033 0.000 2.127 98 L HA -0.184 4.143 4.340 -0.022 0.000 0.211 98 L C 2.227 179.155 176.870 0.097 0.000 1.089 98 L CA 0.939 55.772 54.840 -0.010 0.000 0.757 98 L CB -0.485 41.492 42.059 -0.137 0.000 0.899 98 L HN 0.290 nan 8.230 nan 0.000 0.434 99 W N -0.337 120.996 121.300 0.055 0.000 3.180 99 W HA 0.214 4.860 4.660 -0.023 0.000 0.254 99 W C 1.533 178.049 176.519 -0.004 0.000 1.318 99 W CA 0.906 58.267 57.345 0.027 0.000 1.608 99 W CB -0.516 28.965 29.460 0.035 0.000 1.124 99 W HN 0.351 nan 8.180 nan 0.000 0.694 100 G N -0.805 108.105 108.800 0.183 0.000 2.227 100 G HA2 -0.237 3.710 3.960 -0.022 0.000 0.168 100 G HA3 -0.237 3.710 3.960 -0.022 0.000 0.168 100 G C 0.113 174.998 174.900 -0.025 0.000 1.006 100 G CA -0.409 44.733 45.100 0.071 0.000 0.684 100 G HN 0.093 nan 8.290 nan 0.000 0.489 101 C N 3.967 123.221 119.300 -0.077 0.000 2.592 101 C HA 0.447 4.893 4.460 -0.022 0.000 0.408 101 C C -1.106 173.634 174.990 -0.417 0.000 1.436 101 C CA -0.476 58.341 59.018 -0.335 0.000 1.595 101 C CB 0.100 27.487 27.740 -0.588 0.000 2.487 101 C HN 0.361 nan 8.230 nan 0.000 0.610 102 P HA 0.119 nan 4.420 nan 0.000 0.238 102 P C -0.767 176.337 177.300 -0.327 0.000 1.794 102 P CA -0.068 62.827 63.100 -0.342 0.000 1.088 102 P CB -0.405 31.059 31.700 -0.393 0.000 1.923 103 W N 1.358 122.584 121.300 -0.123 0.000 2.210 103 W HA 0.080 4.726 4.660 -0.023 0.000 0.330 103 W C 0.742 177.098 176.519 -0.271 0.000 1.334 103 W CA -0.239 57.016 57.345 -0.151 0.000 1.227 103 W CB 0.146 29.579 29.460 -0.045 0.000 1.178 103 W HN 0.186 nan 8.180 nan 0.000 0.560 104 S N 4.403 119.983 115.700 -0.200 0.000 2.552 104 S HA 0.187 4.644 4.470 -0.022 0.000 0.289 104 S C 0.220 174.649 174.600 -0.285 0.000 1.304 104 S CA -0.556 57.433 58.200 -0.353 0.000 1.063 104 S CB 0.278 63.033 63.200 -0.742 0.000 0.848 104 S HN 0.273 nan 8.310 nan 0.000 0.499 105 R N 1.969 122.376 120.500 -0.155 0.000 2.732 105 R HA 0.432 4.759 4.340 -0.022 0.000 0.278 105 R C 0.186 176.440 176.300 -0.077 0.000 0.976 105 R CA -0.834 55.196 56.100 -0.116 0.000 0.963 105 R CB 1.090 31.346 30.300 -0.072 0.000 1.150 105 R HN 0.594 nan 8.270 nan 0.000 0.478 106 R N 1.230 121.685 120.500 -0.075 0.000 2.774 106 R HA 0.057 4.384 4.340 -0.022 0.000 0.269 106 R C -1.359 174.922 176.300 -0.031 0.000 1.068 106 R CA -1.295 54.780 56.100 -0.041 0.000 1.180 106 R CB 0.060 30.328 30.300 -0.054 0.000 1.077 106 R HN 0.284 nan 8.270 nan 0.000 0.513 107 P HA -0.163 nan 4.420 nan 0.000 0.218 107 P C 0.307 177.596 177.300 -0.019 0.000 1.148 107 P CA 1.232 64.324 63.100 -0.013 0.000 0.822 107 P CB 0.047 31.743 31.700 -0.006 0.000 0.784 108 D N -1.234 119.151 120.400 -0.025 0.000 2.371 108 D HA 0.003 4.630 4.640 -0.022 0.000 0.234 108 D C 1.325 177.606 176.300 -0.031 0.000 1.049 108 D CA 0.811 54.795 54.000 -0.026 0.000 0.907 108 D CB -1.104 39.680 40.800 -0.028 0.000 0.891 108 D HN 0.237 nan 8.370 nan 0.000 0.531 109 G N 0.134 108.913 108.800 -0.036 0.000 2.143 109 G HA2 -0.263 3.684 3.960 -0.022 0.000 0.249 109 G HA3 -0.263 3.684 3.960 -0.022 0.000 0.249 109 G C 0.266 175.135 174.900 -0.051 0.000 0.981 109 G CA 0.453 45.531 45.100 -0.037 0.000 0.665 109 G HN 0.821 nan 8.290 nan 0.000 0.528 110 S N -0.875 114.781 115.700 -0.074 0.000 2.651 110 S HA 0.770 5.226 4.470 -0.022 0.000 0.291 110 S C 0.587 175.085 174.600 -0.171 0.000 1.141 110 S CA -0.268 57.865 58.200 -0.113 0.000 1.027 110 S CB 2.188 65.317 63.200 -0.118 0.000 1.043 110 S HN 1.791 nan 8.310 nan 0.000 0.530 111 V N 0.920 120.671 119.914 -0.271 0.000 2.617 111 V HA 0.255 4.362 4.120 -0.022 0.000 0.304 111 V C 0.417 176.257 176.094 -0.422 0.000 1.040 111 V CA -0.509 61.542 62.300 -0.415 0.000 1.149 111 V CB -0.777 30.553 31.823 -0.822 0.000 0.914 111 V HN 0.862 nan 8.190 nan 0.000 0.487 112 N N 2.969 121.483 118.700 -0.310 0.000 2.493 112 N HA 0.669 5.396 4.740 -0.022 0.000 0.275 112 N C -0.569 174.895 175.510 -0.077 0.000 1.186 112 N CA -0.002 52.963 53.050 -0.142 0.000 0.978 112 N CB 1.694 40.197 38.487 0.027 0.000 1.184 112 N HN 1.084 nan 8.380 nan 0.000 0.487 113 V N -0.604 119.364 119.914 0.090 0.000 3.007 113 V HA 0.803 4.909 4.120 -0.022 0.000 0.311 113 V C -0.637 175.543 176.094 0.142 0.000 1.120 113 V CA -0.996 61.380 62.300 0.128 0.000 0.980 113 V CB 1.943 33.699 31.823 -0.112 0.000 1.033 113 V HN 0.856 nan 8.190 nan 0.000 0.429 114 R N 1.959 122.506 120.500 0.079 0.000 2.905 114 R HA 0.711 5.038 4.340 -0.022 0.000 0.260 114 R C -0.699 175.627 176.300 0.043 0.000 1.086 114 R CA -1.102 54.971 56.100 -0.045 0.000 0.978 114 R CB 2.071 32.194 30.300 -0.296 0.000 1.215 114 R HN 0.865 nan 8.270 nan 0.000 0.480 115 R N 1.047 121.516 120.500 -0.052 0.000 2.297 115 R HA 0.399 4.726 4.340 -0.022 0.000 0.308 115 R C -1.471 174.742 176.300 -0.145 0.000 1.029 115 R CA -0.112 55.961 56.100 -0.045 0.000 0.929 115 R CB 0.626 30.871 30.300 -0.091 0.000 1.046 115 R HN 0.552 nan 8.270 nan 0.000 0.461 116 F N 0.954 120.898 119.950 -0.010 0.000 2.626 116 F HA 0.387 4.901 4.527 -0.022 0.000 0.311 116 F C 0.882 176.688 175.800 0.011 0.000 1.088 116 F CA 0.002 58.005 58.000 0.004 0.000 0.949 116 F CB 2.483 41.500 39.000 0.028 0.000 1.322 116 F HN 0.766 nan 8.300 nan 0.000 0.461 117 G N 0.895 109.830 108.800 0.225 0.000 2.203 117 G HA2 0.038 3.985 3.960 -0.022 0.000 0.263 117 G HA3 0.038 3.985 3.960 -0.022 0.000 0.263 117 G C 1.102 176.036 174.900 0.057 0.000 1.012 117 G CA 0.886 46.060 45.100 0.122 0.000 0.749 117 G HN 2.102 nan 8.290 nan 0.000 0.512 118 G N -1.343 107.469 108.800 0.020 0.000 2.184 118 G HA2 -0.294 3.652 3.960 -0.022 0.000 0.264 118 G HA3 -0.294 3.652 3.960 -0.022 0.000 0.264 118 G C 0.632 175.538 174.900 0.010 0.000 0.975 118 G CA 0.896 45.992 45.100 -0.006 0.000 0.642 118 G HN 1.329 nan 8.290 nan 0.000 0.536 119 M N 0.436 120.061 119.600 0.041 0.000 2.286 119 M HA 0.106 4.572 4.480 -0.022 0.000 0.365 119 M C 1.665 177.972 176.300 0.011 0.000 1.443 119 M CA 1.151 56.480 55.300 0.048 0.000 0.951 119 M CB 0.575 33.215 32.600 0.067 0.000 1.961 119 M HN 0.324 nan 8.290 nan 0.000 0.468 120 K N 3.664 124.067 120.400 0.005 0.000 2.063 120 K HA -0.072 4.234 4.320 -0.022 0.000 0.208 120 K C 0.302 176.879 176.600 -0.039 0.000 1.048 120 K CA 1.089 57.362 56.287 -0.024 0.000 0.928 120 K CB 0.309 32.787 32.500 -0.037 0.000 0.713 120 K HN 0.544 nan 8.250 nan 0.000 0.442 121 I N 3.216 123.748 120.570 -0.063 0.000 2.359 121 I HA 0.070 4.227 4.170 -0.022 0.000 0.294 121 I C -0.311 175.769 176.117 -0.061 0.000 0.987 121 I CA -0.854 60.400 61.300 -0.077 0.000 1.225 121 I CB 1.222 39.113 38.000 -0.181 0.000 1.366 121 I HN 0.278 nan 8.210 nan 0.000 0.466 122 E N 7.759 127.934 120.200 -0.042 0.000 2.180 122 E HA 0.165 4.502 4.350 -0.022 0.000 0.283 122 E C 0.082 176.658 176.600 -0.040 0.000 1.061 122 E CA -0.391 55.996 56.400 -0.022 0.000 0.861 122 E CB 0.642 30.336 29.700 -0.009 0.000 1.056 122 E HN 0.754 nan 8.360 nan 0.000 0.407 123 R N 1.145 121.639 120.500 -0.011 0.000 2.590 123 R HA 0.200 4.526 4.340 -0.022 0.000 0.410 123 R C -0.640 175.757 176.300 0.163 0.000 1.010 123 R CA -0.572 55.529 56.100 0.003 0.000 1.155 123 R CB 0.056 30.274 30.300 -0.136 0.000 1.455 123 R HN 0.169 nan 8.270 nan 0.000 0.567 124 T N 2.239 116.908 114.554 0.192 0.000 2.727 124 T HA 0.193 4.530 4.350 -0.022 0.000 0.298 124 T C -0.880 174.057 174.700 0.394 0.000 0.942 124 T CA -0.254 62.017 62.100 0.284 0.000 0.997 124 T CB 0.135 69.181 68.868 0.297 0.000 0.917 124 T HN 0.154 nan 8.240 nan 0.000 0.487 125 W N 5.057 126.341 121.300 -0.026 0.000 2.218 125 W HA 0.525 5.172 4.660 -0.021 0.000 0.326 125 W C 0.006 176.702 176.519 0.294 0.000 1.276 125 W CA -1.215 56.040 57.345 -0.149 0.000 1.210 125 W CB -0.225 28.646 29.460 -0.981 0.000 1.143 125 W HN 0.609 nan 8.180 nan 0.000 0.563 126 F N 0.040 120.265 119.950 0.459 0.000 2.654 126 F HA 0.828 5.342 4.527 -0.023 0.000 0.308 126 F C -0.919 175.218 175.800 0.562 0.000 1.108 126 F CA -2.014 56.313 58.000 0.544 0.000 0.957 126 F CB 1.192 40.384 39.000 0.321 0.000 1.309 126 F HN 0.377 nan 8.300 nan 0.000 0.446 127 A N 2.964 126.015 122.820 0.386 0.000 2.360 127 A HA 0.812 5.119 4.320 -0.022 0.000 0.309 127 A C 0.581 178.328 177.584 0.272 0.000 1.311 127 A CA -0.123 51.994 52.037 0.133 0.000 0.805 127 A CB 0.028 19.024 19.000 -0.006 0.000 1.144 127 A HN 2.572 nan 8.150 nan 0.000 0.486 128 A N 2.591 125.562 122.820 0.251 0.000 5.395 128 A HA -0.276 4.030 4.320 -0.022 0.000 0.324 128 A C 0.800 178.638 177.584 0.423 0.000 1.813 128 A CA 2.051 54.288 52.037 0.333 0.000 0.714 128 A CB -1.367 17.762 19.000 0.214 0.000 1.374 128 A HN 1.654 nan 8.150 nan 0.000 0.390 129 D N -0.932 119.650 120.400 0.302 0.000 2.623 129 D HA 0.373 5.000 4.640 -0.022 0.000 0.252 129 D C 0.180 176.623 176.300 0.239 0.000 1.294 129 D CA 0.300 54.480 54.000 0.300 0.000 0.824 129 D CB -0.022 40.960 40.800 0.304 0.000 1.070 129 D HN 0.580 nan 8.370 nan 0.000 0.487 130 K N -0.001 120.507 120.400 0.180 0.000 2.832 130 K HA 0.202 4.508 4.320 -0.022 0.000 0.211 130 K C 0.756 177.489 176.600 0.221 0.000 1.112 130 K CA -0.111 56.224 56.287 0.080 0.000 1.108 130 K CB 0.686 33.096 32.500 -0.149 0.000 0.899 130 K HN -0.090 nan 8.250 nan 0.000 0.464 131 T N 0.058 114.759 114.554 0.245 0.000 2.759 131 T HA -0.159 4.178 4.350 -0.022 0.000 0.269 131 T C 1.952 176.742 174.700 0.151 0.000 1.042 131 T CA 1.838 64.080 62.100 0.237 0.000 1.140 131 T CB -0.100 68.946 68.868 0.297 0.000 0.864 131 T HN 0.577 nan 8.240 nan 0.000 0.455 132 G N 0.781 109.661 108.800 0.133 0.000 2.414 132 G HA2 -0.148 3.799 3.960 -0.022 0.000 0.215 132 G HA3 -0.148 3.799 3.960 -0.022 0.000 0.215 132 G C 1.329 176.280 174.900 0.085 0.000 1.188 132 G CA 0.548 45.703 45.100 0.091 0.000 0.783 132 G HN 0.486 nan 8.290 nan 0.000 0.537 133 F N 1.556 121.469 119.950 -0.061 0.000 2.063 133 F HA -0.207 4.307 4.527 -0.022 0.000 0.298 133 F C 2.558 178.274 175.800 -0.139 0.000 1.109 133 F CA 2.435 60.353 58.000 -0.137 0.000 1.212 133 F CB -0.579 38.209 39.000 -0.354 0.000 0.973 133 F HN 0.309 nan 8.300 nan 0.000 0.480 134 H N -0.489 118.451 119.070 -0.217 0.000 2.321 134 H HA -0.142 4.401 4.556 -0.022 0.000 0.300 134 H C 2.359 177.526 175.328 -0.268 0.000 1.087 134 H CA 2.184 58.013 56.048 -0.365 0.000 1.319 134 H CB -0.293 29.335 29.762 -0.223 0.000 1.379 134 H HN 0.284 nan 8.280 nan 0.000 0.501 135 M N -0.289 119.270 119.600 -0.068 0.000 2.073 135 M HA -0.190 4.276 4.480 -0.022 0.000 0.258 135 M C 2.247 178.554 176.300 0.012 0.000 1.070 135 M CA 1.385 56.665 55.300 -0.034 0.000 1.103 135 M CB -0.257 32.361 32.600 0.029 0.000 1.321 135 M HN 0.235 nan 8.290 nan 0.000 0.405 136 L N -0.315 120.915 121.223 0.011 0.000 1.994 136 L HA -0.204 4.123 4.340 -0.022 0.000 0.208 136 L C 2.224 179.097 176.870 0.006 0.000 1.071 136 L CA 2.154 57.007 54.840 0.022 0.000 0.745 136 L CB -0.910 41.161 42.059 0.021 0.000 0.892 136 L HN 0.231 nan 8.230 nan 0.000 0.431 137 H N -1.104 117.856 119.070 -0.185 0.000 2.352 137 H HA -0.131 4.412 4.556 -0.021 0.000 0.299 137 H C 2.129 177.410 175.328 -0.079 0.000 1.097 137 H CA 2.049 57.999 56.048 -0.163 0.000 1.311 137 H CB -0.558 28.916 29.762 -0.480 0.000 1.377 137 H HN 0.364 nan 8.280 nan 0.000 0.504 138 T N 0.539 115.105 114.554 0.020 0.000 2.652 138 T HA -0.146 4.190 4.350 -0.022 0.000 0.267 138 T C 2.244 176.960 174.700 0.026 0.000 1.039 138 T CA 1.357 63.472 62.100 0.025 0.000 1.153 138 T CB -0.432 68.460 68.868 0.039 0.000 0.863 138 T HN 0.170 nan 8.240 nan 0.000 0.428 139 L N -0.154 121.106 121.223 0.062 0.000 2.017 139 L HA -0.064 4.262 4.340 -0.022 0.000 0.208 139 L C 2.322 179.199 176.870 0.012 0.000 1.073 139 L CA 1.420 56.288 54.840 0.047 0.000 0.745 139 L CB -0.564 41.554 42.059 0.099 0.000 0.894 139 L HN 0.197 nan 8.230 nan 0.000 0.432 140 F N 0.885 120.775 119.950 -0.101 0.000 2.075 140 F HA -0.249 4.264 4.527 -0.023 0.000 0.297 140 F C 2.592 178.325 175.800 -0.111 0.000 1.113 140 F CA 1.711 59.641 58.000 -0.116 0.000 1.218 140 F CB -0.523 38.373 39.000 -0.174 0.000 0.984 140 F HN 0.037 nan 8.300 nan 0.000 0.472 141 Q N -0.447 119.135 119.800 -0.363 0.000 2.124 141 Q HA -0.167 4.160 4.340 -0.022 0.000 0.202 141 Q C 2.095 177.873 176.000 -0.369 0.000 0.977 141 Q CA 2.242 57.775 55.803 -0.450 0.000 0.850 141 Q CB -0.459 28.158 28.738 -0.201 0.000 0.901 141 Q HN 0.413 nan 8.270 nan 0.000 0.429 142 T N 0.515 114.895 114.554 -0.291 0.000 2.684 142 T HA -0.198 4.139 4.350 -0.022 0.000 0.267 142 T C 2.000 176.532 174.700 -0.279 0.000 1.036 142 T CA 1.616 63.505 62.100 -0.351 0.000 1.148 142 T CB -0.428 68.115 68.868 -0.542 0.000 0.863 142 T HN 0.499 nan 8.240 nan 0.000 0.436 143 S N 1.697 117.272 115.700 -0.209 0.000 2.465 143 S HA -0.021 4.436 4.470 -0.022 0.000 0.241 143 S C 1.987 176.544 174.600 -0.073 0.000 1.000 143 S CA 0.691 58.866 58.200 -0.041 0.000 0.964 143 S CB -0.894 62.291 63.200 -0.026 0.000 0.763 143 S HN 0.485 nan 8.310 nan 0.000 0.512 144 L N 1.367 122.429 121.223 -0.268 0.000 2.201 144 L HA -0.097 4.229 4.340 -0.022 0.000 0.212 144 L C 2.874 179.614 176.870 -0.217 0.000 1.105 144 L CA 1.489 56.173 54.840 -0.260 0.000 0.775 144 L CB -0.661 41.186 42.059 -0.353 0.000 0.913 144 L HN 0.604 nan 8.230 nan 0.000 0.440 145 Q N -0.196 119.412 119.800 -0.320 0.000 2.444 145 Q HA -0.024 4.302 4.340 -0.022 0.000 0.206 145 Q C -0.158 175.492 176.000 -0.583 0.000 0.948 145 Q CA 0.278 55.807 55.803 -0.456 0.000 0.946 145 Q CB -0.040 28.345 28.738 -0.588 0.000 1.027 145 Q HN 0.295 nan 8.270 nan 0.000 0.513 146 F N 2.489 122.362 119.950 -0.128 0.000 2.332 146 F HA 0.339 4.854 4.527 -0.021 0.000 0.368 146 F C -1.549 174.211 175.800 -0.066 0.000 1.110 146 F CA -2.764 55.181 58.000 -0.090 0.000 1.087 146 F CB 1.458 40.402 39.000 -0.094 0.000 1.235 146 F HN -0.063 nan 8.300 nan 0.000 0.470 147 P HA -0.220 nan 4.420 nan 0.000 0.218 147 P C 1.000 178.339 177.300 0.066 0.000 1.148 147 P CA 1.396 64.521 63.100 0.041 0.000 0.822 147 P CB 0.308 32.020 31.700 0.021 0.000 0.784 148 Q N 0.104 119.964 119.800 0.099 0.000 2.197 148 Q HA -0.086 4.240 4.340 -0.022 0.000 0.207 148 Q C 1.046 177.083 176.000 0.063 0.000 0.984 148 Q CA 0.853 56.701 55.803 0.075 0.000 0.869 148 Q CB -0.990 27.788 28.738 0.068 0.000 0.906 148 Q HN 0.362 nan 8.270 nan 0.000 0.426 149 I N 1.394 122.008 120.570 0.074 0.000 2.379 149 I HA 0.044 4.200 4.170 -0.022 0.000 0.290 149 I C -0.005 176.146 176.117 0.057 0.000 1.063 149 I CA -0.538 60.798 61.300 0.060 0.000 1.351 149 I CB 0.650 38.684 38.000 0.058 0.000 1.410 149 I HN -0.011 nan 8.210 nan 0.000 0.505 150 Q N 7.074 126.918 119.800 0.073 0.000 2.314 150 Q HA 0.375 4.702 4.340 -0.022 0.000 0.259 150 Q C -0.746 175.279 176.000 0.043 0.000 0.951 150 Q CA -0.329 55.493 55.803 0.032 0.000 0.909 150 Q CB 0.947 29.723 28.738 0.062 0.000 1.236 150 Q HN 0.436 nan 8.270 nan 0.000 0.444 151 R N 2.959 123.415 120.500 -0.074 0.000 2.404 151 R HA 0.432 4.758 4.340 -0.022 0.000 0.291 151 R C -0.805 175.311 176.300 -0.307 0.000 1.025 151 R CA -0.375 55.706 56.100 -0.032 0.000 0.991 151 R CB 0.829 31.151 30.300 0.037 0.000 1.053 151 R HN 0.525 nan 8.270 nan 0.000 0.479 152 F N 1.940 121.737 119.950 -0.255 0.000 2.552 152 F HA 0.237 4.754 4.527 -0.017 0.000 0.369 152 F C -0.265 175.332 175.800 -0.338 0.000 1.112 152 F CA -0.943 56.733 58.000 -0.540 0.000 1.129 152 F CB 1.110 39.604 39.000 -0.845 0.000 1.360 152 F HN 0.244 nan 8.300 nan 0.000 0.473 153 D N 2.919 123.286 120.400 -0.055 0.000 2.225 153 D HA 0.188 4.815 4.640 -0.022 0.000 0.249 153 D C 0.298 176.605 176.300 0.012 0.000 1.052 153 D CA -0.133 53.814 54.000 -0.087 0.000 0.909 153 D CB 0.965 41.640 40.800 -0.209 0.000 1.186 153 D HN 0.534 nan 8.370 nan 0.000 0.431 154 E N 0.697 120.828 120.200 -0.115 0.000 2.230 154 E HA -0.253 4.083 4.350 -0.022 0.000 0.206 154 E C -0.772 175.896 176.600 0.113 0.000 1.309 154 E CA 0.618 57.000 56.400 -0.029 0.000 0.697 154 E CB -1.564 28.099 29.700 -0.062 0.000 1.146 154 E HN 0.448 nan 8.360 nan 0.000 0.363 155 H N -0.109 118.934 119.070 -0.045 0.000 2.708 155 H HA 0.359 4.901 4.556 -0.024 0.000 0.320 155 H C -0.768 174.544 175.328 -0.027 0.000 0.991 155 H CA -0.651 55.392 56.048 -0.009 0.000 1.243 155 H CB 0.564 30.327 29.762 0.003 0.000 1.446 155 H HN 0.199 nan 8.280 nan 0.000 0.502 156 F N 4.201 124.121 119.950 -0.050 0.000 2.438 156 F HA 0.239 4.752 4.527 -0.024 0.000 0.360 156 F C -0.172 175.607 175.800 -0.035 0.000 1.118 156 F CA -0.572 57.396 58.000 -0.054 0.000 1.164 156 F CB 0.430 39.377 39.000 -0.089 0.000 1.131 156 F HN 0.246 nan 8.300 nan 0.000 0.527 157 V N 8.496 128.304 119.914 -0.178 0.000 2.439 157 V HA -0.027 4.080 4.120 -0.022 0.000 0.271 157 V C 1.006 177.160 176.094 0.100 0.000 1.040 157 V CA 0.236 62.501 62.300 -0.058 0.000 1.002 157 V CB 0.752 32.479 31.823 -0.159 0.000 1.000 157 V HN 0.860 nan 8.190 nan 0.000 0.477 158 L N 2.699 124.023 121.223 0.168 0.000 2.121 158 L HA 0.279 4.605 4.340 -0.022 0.000 0.200 158 L C 0.744 177.711 176.870 0.161 0.000 1.077 158 L CA 1.053 56.022 54.840 0.216 0.000 0.766 158 L CB 0.103 42.253 42.059 0.152 0.000 0.931 158 L HN 0.610 nan 8.230 nan 0.000 0.452 159 D N -1.491 118.969 120.400 0.099 0.000 2.596 159 D HA 0.424 5.051 4.640 -0.022 0.000 0.262 159 D C -1.093 175.221 176.300 0.024 0.000 1.210 159 D CA -0.588 53.471 54.000 0.099 0.000 0.873 159 D CB 2.076 42.972 40.800 0.160 0.000 1.408 159 D HN 0.047 nan 8.370 nan 0.000 0.441 160 I N -1.320 119.228 120.570 -0.035 0.000 2.664 160 I HA 0.566 4.723 4.170 -0.022 0.000 0.308 160 I C -0.564 175.501 176.117 -0.087 0.000 0.984 160 I CA -0.888 60.331 61.300 -0.135 0.000 1.213 160 I CB 1.235 39.060 38.000 -0.292 0.000 1.379 160 I HN 0.149 nan 8.210 nan 0.000 0.501 161 L N 4.772 125.962 121.223 -0.055 0.000 2.307 161 L HA 0.729 5.055 4.340 -0.022 0.000 0.284 161 L C -0.769 176.103 176.870 0.004 0.000 1.023 161 L CA -0.883 53.967 54.840 0.016 0.000 0.810 161 L CB 1.695 43.770 42.059 0.026 0.000 1.231 161 L HN 0.418 nan 8.230 nan 0.000 0.423 162 V N 1.363 121.317 119.914 0.067 0.000 2.711 162 V HA 0.501 4.608 4.120 -0.022 0.000 0.304 162 V C -1.351 174.797 176.094 0.089 0.000 1.097 162 V CA -0.474 61.870 62.300 0.072 0.000 0.906 162 V CB 2.317 34.193 31.823 0.088 0.000 1.015 162 V HN 0.711 nan 8.190 nan 0.000 0.427 163 D N 2.741 123.187 120.400 0.077 0.000 2.934 163 D HA 0.476 5.103 4.640 -0.022 0.000 0.230 163 D C -0.334 176.005 176.300 0.065 0.000 1.204 163 D CA 0.086 54.123 54.000 0.061 0.000 0.873 163 D CB 2.003 42.828 40.800 0.042 0.000 1.645 163 D HN 0.616 nan 8.370 nan 0.000 0.502 164 D N 2.655 123.086 120.400 0.051 0.000 2.775 164 D HA -0.121 4.506 4.640 -0.022 0.000 0.235 164 D C 0.801 177.141 176.300 0.066 0.000 1.120 164 D CA 1.966 55.995 54.000 0.047 0.000 0.708 164 D CB -1.189 39.632 40.800 0.036 0.000 1.084 164 D HN 0.943 nan 8.370 nan 0.000 0.434 165 G N 0.127 108.961 108.800 0.056 0.000 2.179 165 G HA2 -0.324 3.623 3.960 -0.022 0.000 0.257 165 G HA3 -0.324 3.623 3.960 -0.022 0.000 0.257 165 G C 0.041 174.962 174.900 0.034 0.000 1.010 165 G CA 0.731 45.852 45.100 0.035 0.000 0.736 165 G HN 0.772 nan 8.290 nan 0.000 0.513 166 H N -1.040 118.018 119.070 -0.020 0.000 2.679 166 H HA 0.543 5.103 4.556 0.007 0.000 0.360 166 H C -0.286 175.021 175.328 -0.034 0.000 1.105 166 H CA -0.266 55.764 56.048 -0.031 0.000 1.196 166 H CB 2.166 31.917 29.762 -0.019 0.000 1.636 166 H HN 0.226 nan 8.280 nan 0.000 0.531 167 V N 5.358 125.281 119.914 0.014 0.000 2.614 167 V HA 0.213 4.319 4.120 -0.022 0.000 0.291 167 V C 0.433 176.650 176.094 0.205 0.000 1.049 167 V CA 0.105 62.433 62.300 0.048 0.000 1.038 167 V CB 0.700 32.483 31.823 -0.067 0.000 0.980 167 V HN 0.749 nan 8.190 nan 0.000 0.481 168 R N 4.181 124.739 120.500 0.097 0.000 2.521 168 R HA 0.421 4.747 4.340 -0.022 0.000 0.289 168 R C 0.385 176.707 176.300 0.037 0.000 0.936 168 R CA 0.697 56.841 56.100 0.074 0.000 1.089 168 R CB 1.013 31.340 30.300 0.044 0.000 1.348 168 R HN 0.928 nan 8.270 nan 0.000 0.536 169 G N 0.633 109.443 108.800 0.016 0.000 2.392 169 G HA2 0.368 4.314 3.960 -0.022 0.000 0.260 169 G HA3 0.368 4.314 3.960 -0.022 0.000 0.260 169 G C -1.987 172.894 174.900 -0.030 0.000 1.226 169 G CA -0.325 44.773 45.100 -0.004 0.000 0.913 169 G HN 0.069 nan 8.290 nan 0.000 0.483 170 L N -3.149 118.053 121.223 -0.035 0.000 2.838 170 L HA 0.912 5.238 4.340 -0.022 0.000 0.266 170 L C -1.298 175.557 176.870 -0.026 0.000 1.040 170 L CA -1.123 53.691 54.840 -0.043 0.000 0.906 170 L CB 1.560 43.572 42.059 -0.079 0.000 1.501 170 L HN 0.739 nan 8.230 nan 0.000 0.407 171 V N 0.688 120.597 119.914 -0.008 0.000 2.531 171 V HA 0.976 5.083 4.120 -0.022 0.000 0.301 171 V C -0.042 176.064 176.094 0.020 0.000 1.034 171 V CA 0.202 62.511 62.300 0.014 0.000 0.865 171 V CB 1.206 33.051 31.823 0.037 0.000 0.995 171 V HN 1.216 nan 8.190 nan 0.000 0.424 172 A N 5.165 127.999 122.820 0.023 0.000 2.454 172 A HA 0.892 5.199 4.320 -0.022 0.000 0.302 172 A C -0.762 176.852 177.584 0.050 0.000 1.079 172 A CA -0.708 51.358 52.037 0.048 0.000 0.731 172 A CB 1.915 20.936 19.000 0.034 0.000 1.299 172 A HN 0.869 nan 8.150 nan 0.000 0.413 173 M N 1.626 121.252 119.600 0.044 0.000 2.216 173 M HA 0.236 4.703 4.480 -0.022 0.000 0.356 173 M C 0.082 176.252 176.300 -0.216 0.000 1.205 173 M CA -0.135 55.140 55.300 -0.042 0.000 1.122 173 M CB 0.338 32.915 32.600 -0.039 0.000 1.571 173 M HN 0.826 nan 8.290 nan 0.000 0.464 174 N N 4.355 122.865 118.700 -0.317 0.000 2.402 174 N HA 0.106 4.832 4.740 -0.022 0.000 0.259 174 N C 0.683 176.014 175.510 -0.298 0.000 1.167 174 N CA -0.193 52.506 53.050 -0.586 0.000 0.949 174 N CB 0.557 38.857 38.487 -0.311 0.000 1.212 174 N HN 0.804 nan 8.380 nan 0.000 0.493 175 M N 2.617 122.047 119.600 -0.284 0.000 2.149 175 M HA -0.200 4.267 4.480 -0.022 0.000 0.261 175 M C 1.965 178.228 176.300 -0.061 0.000 1.064 175 M CA 1.631 56.810 55.300 -0.203 0.000 1.102 175 M CB -0.116 32.325 32.600 -0.266 0.000 1.369 175 M HN 0.674 nan 8.290 nan 0.000 0.408 176 M N 0.207 119.837 119.600 0.051 0.000 2.123 176 M HA -0.118 4.349 4.480 -0.022 0.000 0.263 176 M C 1.873 178.217 176.300 0.074 0.000 1.069 176 M CA 1.721 57.118 55.300 0.161 0.000 1.133 176 M CB -0.048 32.638 32.600 0.143 0.000 1.356 176 M HN 0.037 nan 8.290 nan 0.000 0.415 177 E N -0.710 119.500 120.200 0.016 0.000 2.230 177 E HA 0.098 4.435 4.350 -0.022 0.000 0.192 177 E C 1.383 177.979 176.600 -0.007 0.000 0.987 177 E CA 0.932 57.339 56.400 0.012 0.000 0.841 177 E CB -0.192 29.517 29.700 0.015 0.000 0.783 177 E HN 0.699 nan 8.360 nan 0.000 0.481 178 G N 2.334 111.110 108.800 -0.039 0.000 2.148 178 G HA2 -0.292 3.654 3.960 -0.022 0.000 0.254 178 G HA3 -0.292 3.654 3.960 -0.022 0.000 0.254 178 G C 0.568 175.442 174.900 -0.044 0.000 0.981 178 G CA 0.961 46.029 45.100 -0.055 0.000 0.670 178 G HN 0.408 nan 8.290 nan 0.000 0.528 179 T N -1.302 113.234 114.554 -0.031 0.000 2.934 179 T HA 0.761 5.098 4.350 -0.022 0.000 0.283 179 T C 0.461 175.158 174.700 -0.005 0.000 1.005 179 T CA -0.953 61.143 62.100 -0.006 0.000 1.041 179 T CB 2.278 71.159 68.868 0.022 0.000 1.042 179 T HN 0.442 nan 8.240 nan 0.000 0.505 180 L N 1.311 122.545 121.223 0.017 0.000 2.379 180 L HA 0.757 5.083 4.340 -0.022 0.000 0.269 180 L C -0.375 176.538 176.870 0.072 0.000 1.084 180 L CA -1.109 53.749 54.840 0.031 0.000 0.802 180 L CB 1.529 43.605 42.059 0.029 0.000 1.175 180 L HN 0.469 nan 8.230 nan 0.000 0.448 181 V N 1.038 121.002 119.914 0.083 0.000 3.007 181 V HA 0.412 4.518 4.120 -0.022 0.000 0.311 181 V C -0.829 175.322 176.094 0.096 0.000 1.120 181 V CA -0.646 61.734 62.300 0.132 0.000 0.980 181 V CB 2.141 34.047 31.823 0.137 0.000 1.033 181 V HN 0.834 nan 8.190 nan 0.000 0.429 182 Q N 2.934 122.814 119.800 0.133 0.000 2.292 182 Q HA 0.637 4.964 4.340 -0.022 0.000 0.270 182 Q C -1.989 174.072 176.000 0.101 0.000 1.024 182 Q CA -0.521 55.332 55.803 0.084 0.000 0.768 182 Q CB 1.926 30.710 28.738 0.078 0.000 1.250 182 Q HN 0.758 nan 8.270 nan 0.000 0.447 183 I N 3.880 124.453 120.570 0.005 0.000 2.339 183 I HA 0.397 4.554 4.170 -0.022 0.000 0.290 183 I C -0.170 175.949 176.117 0.004 0.000 0.994 183 I CA -0.906 60.389 61.300 -0.008 0.000 1.191 183 I CB 1.140 39.022 38.000 -0.196 0.000 1.343 183 I HN 0.426 nan 8.210 nan 0.000 0.458 184 R N 5.399 125.925 120.500 0.043 0.000 2.234 184 R HA 0.734 5.061 4.340 -0.022 0.000 0.324 184 R C -0.631 175.685 176.300 0.025 0.000 1.054 184 R CA -0.473 55.646 56.100 0.031 0.000 0.912 184 R CB 1.098 31.421 30.300 0.038 0.000 1.030 184 R HN 0.723 nan 8.270 nan 0.000 0.455 185 A N 2.774 125.606 122.820 0.020 0.000 2.488 185 A HA 0.349 4.656 4.320 -0.022 0.000 0.298 185 A C 0.009 177.625 177.584 0.054 0.000 1.044 185 A CA -0.756 51.298 52.037 0.028 0.000 0.693 185 A CB 1.256 20.262 19.000 0.010 0.000 1.272 185 A HN 0.577 nan 8.150 nan 0.000 0.402 186 N N 0.407 119.149 118.700 0.071 0.000 2.461 186 N HA 0.276 5.002 4.740 -0.022 0.000 0.188 186 N C 0.137 175.775 175.510 0.214 0.000 1.134 186 N CA 1.226 54.354 53.050 0.130 0.000 0.878 186 N CB 0.585 39.122 38.487 0.083 0.000 0.972 186 N HN 0.915 nan 8.380 nan 0.000 0.456 187 A N -0.239 122.667 122.820 0.143 0.000 2.517 187 A HA 0.646 4.953 4.320 -0.022 0.000 0.297 187 A C -1.216 176.441 177.584 0.123 0.000 1.050 187 A CA -0.475 51.669 52.037 0.178 0.000 0.694 187 A CB 1.632 20.760 19.000 0.213 0.000 1.277 187 A HN -0.122 nan 8.150 nan 0.000 0.400 188 V N 2.105 122.116 119.914 0.162 0.000 2.623 188 V HA 0.478 4.585 4.120 -0.022 0.000 0.304 188 V C -0.660 175.518 176.094 0.140 0.000 1.054 188 V CA -0.569 61.779 62.300 0.081 0.000 0.882 188 V CB 1.947 33.770 31.823 -0.000 0.000 1.002 188 V HN 0.764 nan 8.190 nan 0.000 0.424 189 V N 5.562 125.510 119.914 0.056 0.000 2.370 189 V HA 0.440 4.546 4.120 -0.022 0.000 0.279 189 V C 0.124 176.217 176.094 -0.001 0.000 1.029 189 V CA -0.521 61.812 62.300 0.055 0.000 0.870 189 V CB 1.559 33.366 31.823 -0.027 0.000 0.984 189 V HN 0.726 nan 8.190 nan 0.000 0.451 190 M N 4.567 124.167 119.600 0.000 0.000 2.108 190 M HA 0.472 4.939 4.480 -0.022 0.000 0.347 190 M C 0.203 176.478 176.300 -0.042 0.000 1.326 190 M CA -0.025 55.246 55.300 -0.049 0.000 1.126 190 M CB 0.867 33.424 32.600 -0.072 0.000 1.606 190 M HN 0.736 nan 8.290 nan 0.000 0.462 191 A N 2.906 125.694 122.820 -0.054 0.000 3.317 191 A HA 0.429 4.736 4.320 -0.022 0.000 0.307 191 A C 0.801 178.350 177.584 -0.058 0.000 1.003 191 A CA -0.498 51.516 52.037 -0.039 0.000 0.882 191 A CB -0.249 18.741 19.000 -0.017 0.000 1.136 191 A HN 0.801 nan 8.150 nan 0.000 0.488 192 T N -2.484 112.021 114.554 -0.081 0.000 3.069 192 T HA 0.487 4.824 4.350 -0.022 0.000 0.252 192 T C 1.104 175.753 174.700 -0.085 0.000 1.053 192 T CA 0.782 62.819 62.100 -0.106 0.000 0.964 192 T CB -0.159 68.616 68.868 -0.156 0.000 1.005 192 T HN 2.157 nan 8.240 nan 0.000 0.532 193 G N 0.223 108.988 108.800 -0.058 0.000 2.796 193 G HA2 0.213 4.160 3.960 -0.022 0.000 0.226 193 G HA3 0.213 4.160 3.960 -0.022 0.000 0.226 193 G C 0.223 175.065 174.900 -0.096 0.000 1.381 193 G CA -0.554 44.518 45.100 -0.045 0.000 0.867 193 G HN 0.854 nan 8.290 nan 0.000 0.552 194 G N -1.671 107.055 108.800 -0.124 0.000 2.504 194 G HA2 0.700 4.647 3.960 -0.022 0.000 0.257 194 G HA3 0.700 4.647 3.960 -0.022 0.000 0.257 194 G C 0.857 175.667 174.900 -0.150 0.000 1.451 194 G CA 0.910 45.900 45.100 -0.183 0.000 1.059 194 G HN 2.136 nan 8.290 nan 0.000 0.550 195 A N -1.214 121.515 122.820 -0.151 0.000 2.605 195 A HA 0.536 4.842 4.320 -0.022 0.000 0.292 195 A C 1.830 179.372 177.584 -0.070 0.000 1.055 195 A CA 0.949 52.929 52.037 -0.095 0.000 0.969 195 A CB 0.041 19.002 19.000 -0.066 0.000 1.236 195 A HN 1.118 nan 8.150 nan 0.000 0.534 196 G N 0.547 109.269 108.800 -0.130 0.000 2.517 196 G HA2 -0.263 3.683 3.960 -0.022 0.000 0.222 196 G HA3 -0.263 3.683 3.960 -0.022 0.000 0.222 196 G C 1.449 176.320 174.900 -0.049 0.000 1.109 196 G CA 0.740 45.761 45.100 -0.131 0.000 0.746 196 G HN 0.445 nan 8.290 nan 0.000 0.576 197 R N 0.203 120.666 120.500 -0.062 0.000 2.316 197 R HA -0.007 4.319 4.340 -0.022 0.000 0.202 197 R C 2.572 178.871 176.300 -0.002 0.000 1.029 197 R CA 1.032 57.108 56.100 -0.041 0.000 1.018 197 R CB -0.330 29.932 30.300 -0.064 0.000 0.888 197 R HN 0.538 nan 8.270 nan 0.000 0.471 198 V N -2.369 117.564 119.914 0.032 0.000 3.217 198 V HA 0.010 4.116 4.120 -0.022 0.000 0.264 198 V C 0.573 176.627 176.094 -0.067 0.000 1.135 198 V CA 0.413 62.703 62.300 -0.016 0.000 1.142 198 V CB -0.667 31.129 31.823 -0.045 0.000 0.754 198 V HN -0.086 nan 8.190 nan 0.000 0.484 199 Y N 0.123 120.357 120.300 -0.110 0.000 2.326 199 Y HA 0.549 5.086 4.550 -0.023 0.000 0.324 199 Y C 1.803 177.610 175.900 -0.156 0.000 1.291 199 Y CA -0.697 57.333 58.100 -0.117 0.000 1.348 199 Y CB 0.608 38.989 38.460 -0.132 0.000 1.294 199 Y HN -0.146 nan 8.280 nan 0.000 0.525 200 R N 0.761 121.209 120.500 -0.088 0.000 2.062 200 R HA -0.051 4.276 4.340 -0.022 0.000 0.229 200 R C -0.769 175.281 176.300 -0.416 0.000 1.128 200 R CA 1.280 57.175 56.100 -0.342 0.000 0.960 200 R CB -0.294 29.676 30.300 -0.550 0.000 0.855 200 R HN 0.712 nan 8.270 nan 0.000 0.432 201 Y N 1.041 121.371 120.300 0.051 0.000 2.328 201 Y HA 0.252 4.788 4.550 -0.022 0.000 0.337 201 Y C -0.079 175.797 175.900 -0.039 0.000 0.966 201 Y CA -1.063 57.039 58.100 0.005 0.000 1.136 201 Y CB 1.239 39.701 38.460 0.004 0.000 1.170 201 Y HN 0.239 nan 8.280 nan 0.000 0.470 202 N N -1.972 116.777 118.700 0.083 0.000 2.823 202 N HA 0.219 4.946 4.740 -0.022 0.000 0.251 202 N C -0.143 175.356 175.510 -0.018 0.000 1.392 202 N CA -0.780 52.252 53.050 -0.031 0.000 0.864 202 N CB 1.111 39.553 38.487 -0.075 0.000 1.481 202 N HN 0.329 nan 8.380 nan 0.000 0.508 203 T N -3.089 111.460 114.554 -0.008 0.000 3.129 203 T HA 0.196 4.532 4.350 -0.022 0.000 0.251 203 T C -0.172 174.545 174.700 0.029 0.000 1.117 203 T CA -0.071 62.055 62.100 0.043 0.000 1.034 203 T CB -0.942 68.037 68.868 0.186 0.000 0.968 203 T HN 0.517 nan 8.240 nan 0.000 0.526 204 N N 0.814 119.449 118.700 -0.109 0.000 2.495 204 N HA 0.474 5.201 4.740 -0.022 0.000 0.280 204 N C 0.277 175.611 175.510 -0.293 0.000 1.168 204 N CA -0.799 52.018 53.050 -0.388 0.000 0.978 204 N CB 1.062 39.289 38.487 -0.432 0.000 1.191 204 N HN 0.369 nan 8.380 nan 0.000 0.497 205 G N -0.670 107.870 108.800 -0.433 0.000 2.483 205 G HA2 0.195 4.142 3.960 -0.022 0.000 0.248 205 G HA3 0.195 4.142 3.960 -0.022 0.000 0.248 205 G C 1.107 175.933 174.900 -0.124 0.000 1.248 205 G CA -0.445 44.584 45.100 -0.119 0.000 0.838 205 G HN 0.617 nan 8.290 nan 0.000 0.566 206 G N 1.190 109.956 108.800 -0.057 0.000 2.507 206 G HA2 -0.285 3.662 3.960 -0.022 0.000 0.221 206 G HA3 -0.285 3.662 3.960 -0.022 0.000 0.221 206 G C 1.602 176.449 174.900 -0.088 0.000 1.119 206 G CA 1.306 46.362 45.100 -0.073 0.000 0.751 206 G HN 0.900 nan 8.290 nan 0.000 0.574 207 I N -1.477 119.060 120.570 -0.055 0.000 3.001 207 I HA 0.159 4.316 4.170 -0.022 0.000 0.268 207 I C 0.702 176.782 176.117 -0.062 0.000 1.267 207 I CA 0.069 61.346 61.300 -0.039 0.000 1.472 207 I CB -0.098 37.901 38.000 -0.002 0.000 1.089 207 I HN -0.158 nan 8.210 nan 0.000 0.468 208 V N 3.679 123.531 119.914 -0.103 0.000 2.149 208 V HA 0.045 4.152 4.120 -0.022 0.000 0.245 208 V C 1.307 177.342 176.094 -0.098 0.000 1.349 208 V CA 0.992 63.218 62.300 -0.123 0.000 1.289 208 V CB -0.415 31.279 31.823 -0.215 0.000 1.401 208 V HN 0.627 nan 8.190 nan 0.000 0.501 209 T N -1.465 113.050 114.554 -0.065 0.000 3.085 209 T HA 0.325 4.662 4.350 -0.022 0.000 0.264 209 T C 1.417 176.101 174.700 -0.028 0.000 1.019 209 T CA 0.434 62.516 62.100 -0.029 0.000 0.910 209 T CB 0.667 69.547 68.868 0.019 0.000 1.059 209 T HN 0.941 nan 8.240 nan 0.000 0.542 210 G N 2.024 110.780 108.800 -0.073 0.000 2.179 210 G HA2 -0.315 3.631 3.960 -0.022 0.000 0.260 210 G HA3 -0.315 3.631 3.960 -0.022 0.000 0.260 210 G C 0.552 175.362 174.900 -0.151 0.000 0.977 210 G CA 0.323 45.367 45.100 -0.095 0.000 0.641 210 G HN 0.495 nan 8.290 nan 0.000 0.533 211 D N 0.621 120.906 120.400 -0.192 0.000 2.268 211 D HA -0.227 4.400 4.640 -0.022 0.000 0.189 211 D C 2.453 178.451 176.300 -0.503 0.000 1.010 211 D CA 2.373 56.103 54.000 -0.449 0.000 0.862 211 D CB -1.063 39.535 40.800 -0.336 0.000 0.943 211 D HN 0.739 nan 8.370 nan 0.000 0.451 212 G N 0.308 108.925 108.800 -0.305 0.000 2.446 212 G HA2 -0.274 3.673 3.960 -0.022 0.000 0.217 212 G HA3 -0.274 3.673 3.960 -0.022 0.000 0.217 212 G C 1.733 176.517 174.900 -0.194 0.000 1.168 212 G CA 1.180 46.139 45.100 -0.235 0.000 0.771 212 G HN 0.222 nan 8.290 nan 0.000 0.551 213 M N 0.680 120.177 119.600 -0.171 0.000 2.065 213 M HA -0.036 4.431 4.480 -0.022 0.000 0.259 213 M C 2.892 179.129 176.300 -0.105 0.000 1.069 213 M CA 1.641 56.863 55.300 -0.131 0.000 1.110 213 M CB -0.699 31.831 32.600 -0.115 0.000 1.328 213 M HN 0.291 nan 8.290 nan 0.000 0.405 214 G N 0.169 108.900 108.800 -0.114 0.000 2.446 214 G HA2 -0.235 3.712 3.960 -0.022 0.000 0.217 214 G HA3 -0.235 3.712 3.960 -0.022 0.000 0.217 214 G C 1.500 176.434 174.900 0.056 0.000 1.168 214 G CA 0.980 46.098 45.100 0.030 0.000 0.771 214 G HN 0.357 nan 8.290 nan 0.000 0.551 215 M N 0.829 120.378 119.600 -0.083 0.000 2.073 215 M HA -0.117 4.350 4.480 -0.022 0.000 0.258 215 M C 3.105 179.454 176.300 0.081 0.000 1.070 215 M CA 1.691 57.010 55.300 0.032 0.000 1.103 215 M CB -0.450 32.105 32.600 -0.074 0.000 1.321 215 M HN 0.323 nan 8.290 nan 0.000 0.405 216 A N 0.455 123.263 122.820 -0.019 0.000 1.908 216 A HA -0.179 4.128 4.320 -0.022 0.000 0.218 216 A C 2.163 179.760 177.584 0.022 0.000 1.181 216 A CA 1.521 53.543 52.037 -0.025 0.000 0.627 216 A CB -1.084 17.862 19.000 -0.090 0.000 0.818 216 A HN 0.483 nan 8.150 nan 0.000 0.445 217 L N -0.369 120.855 121.223 0.001 0.000 2.051 217 L HA -0.220 4.106 4.340 -0.022 0.000 0.214 217 L C 2.604 179.499 176.870 0.041 0.000 1.076 217 L CA 1.824 56.666 54.840 0.003 0.000 0.758 217 L CB -0.396 41.663 42.059 0.000 0.000 0.890 217 L HN 0.354 nan 8.230 nan 0.000 0.433 218 S N -1.921 113.825 115.700 0.076 0.000 2.537 218 S HA -0.118 4.339 4.470 -0.022 0.000 0.240 218 S C 1.203 175.724 174.600 -0.132 0.000 0.981 218 S CA 0.583 58.785 58.200 0.003 0.000 0.948 218 S CB -0.312 62.904 63.200 0.026 0.000 0.759 218 S HN 0.475 nan 8.310 nan 0.000 0.531 219 H N -1.288 117.782 119.070 -0.000 0.000 2.923 219 H HA 0.288 4.828 4.556 -0.027 0.000 0.268 219 H C 1.577 176.911 175.328 0.009 0.000 1.148 219 H CA 0.532 56.580 56.048 -0.001 0.000 1.146 219 H CB 0.811 30.563 29.762 -0.017 0.000 1.607 219 H HN 0.487 nan 8.280 nan 0.000 0.566 220 G N 1.178 110.041 108.800 0.104 0.000 2.213 220 G HA2 -0.287 3.660 3.960 -0.022 0.000 0.226 220 G HA3 -0.287 3.660 3.960 -0.022 0.000 0.226 220 G C 0.342 175.332 174.900 0.149 0.000 0.992 220 G CA 0.159 45.342 45.100 0.139 0.000 0.632 220 G HN 0.159 nan 8.290 nan 0.000 0.511 221 V N 4.265 124.199 119.914 0.034 0.000 2.529 221 V HA 0.385 4.491 4.120 -0.022 0.000 0.292 221 V C -0.818 175.107 176.094 -0.282 0.000 1.028 221 V CA -0.429 61.815 62.300 -0.095 0.000 1.074 221 V CB 1.112 32.876 31.823 -0.099 0.000 0.958 221 V HN 0.341 nan 8.190 nan 0.000 0.481 222 P HA 0.393 nan 4.420 nan 0.000 0.278 222 P C -1.078 175.947 177.300 -0.458 0.000 1.266 222 P CA -0.583 61.983 63.100 -0.889 0.000 0.807 222 P CB 1.277 32.031 31.700 -1.577 0.000 1.094 223 L N 0.668 121.668 121.223 -0.371 0.000 2.307 223 L HA 0.537 4.864 4.340 -0.022 0.000 0.284 223 L C 0.891 177.644 176.870 -0.195 0.000 1.023 223 L CA -0.847 53.856 54.840 -0.228 0.000 0.810 223 L CB 1.621 43.584 42.059 -0.159 0.000 1.231 223 L HN 0.363 nan 8.230 nan 0.000 0.423 224 R N 2.198 122.608 120.500 -0.149 0.000 2.368 224 R HA 0.220 4.547 4.340 -0.022 0.000 0.302 224 R C -0.658 175.644 176.300 0.003 0.000 1.002 224 R CA -0.295 55.751 56.100 -0.090 0.000 0.929 224 R CB 0.668 30.882 30.300 -0.144 0.000 1.073 224 R HN 0.646 nan 8.270 nan 0.000 0.464 225 D N 4.077 124.534 120.400 0.096 0.000 2.708 225 D HA -0.195 4.432 4.640 -0.022 0.000 0.236 225 D C 0.608 176.999 176.300 0.152 0.000 1.146 225 D CA 0.751 54.897 54.000 0.243 0.000 0.662 225 D CB -0.394 40.656 40.800 0.417 0.000 1.059 225 D HN 0.574 nan 8.370 nan 0.000 0.428 226 M N -0.405 119.200 119.600 0.008 0.000 2.460 226 M HA -0.105 4.362 4.480 -0.022 0.000 0.263 226 M C 2.181 178.429 176.300 -0.086 0.000 1.071 226 M CA 1.179 56.461 55.300 -0.030 0.000 1.096 226 M CB -0.532 32.040 32.600 -0.047 0.000 1.408 226 M HN 0.337 nan 8.290 nan 0.000 0.463 227 E N 0.468 120.518 120.200 -0.249 0.000 2.204 227 E HA -0.154 4.183 4.350 -0.022 0.000 0.195 227 E C -0.056 176.293 176.600 -0.419 0.000 0.990 227 E CA 0.656 56.792 56.400 -0.440 0.000 0.821 227 E CB -0.690 28.511 29.700 -0.831 0.000 0.750 227 E HN 0.389 nan 8.360 nan 0.000 0.477 228 F N 1.747 121.698 119.950 0.003 0.000 2.434 228 F HA 0.275 4.789 4.527 -0.023 0.000 0.358 228 F C -0.053 175.780 175.800 0.054 0.000 1.136 228 F CA -0.622 57.408 58.000 0.050 0.000 1.157 228 F CB 1.143 40.178 39.000 0.058 0.000 1.167 228 F HN -0.295 nan 8.300 nan 0.000 0.539 229 V N 3.803 123.847 119.914 0.217 0.000 2.531 229 V HA 0.284 4.391 4.120 -0.022 0.000 0.301 229 V C -0.432 175.757 176.094 0.158 0.000 1.034 229 V CA -0.911 61.460 62.300 0.119 0.000 0.865 229 V CB 1.801 33.670 31.823 0.077 0.000 0.995 229 V HN 0.670 nan 8.190 nan 0.000 0.424 230 Q N 3.575 123.446 119.800 0.119 0.000 2.303 230 Q HA 0.447 4.774 4.340 -0.022 0.000 0.257 230 Q C -1.630 174.450 176.000 0.134 0.000 0.941 230 Q CA -0.473 55.436 55.803 0.177 0.000 0.931 230 Q CB 0.909 29.775 28.738 0.214 0.000 1.215 230 Q HN 0.669 nan 8.270 nan 0.000 0.437 231 Y N 1.877 122.171 120.300 -0.010 0.000 2.301 231 Y HA 0.188 4.725 4.550 -0.022 0.000 0.325 231 Y C -0.153 175.752 175.900 0.009 0.000 1.203 231 Y CA -0.361 57.728 58.100 -0.018 0.000 1.255 231 Y CB 0.992 39.401 38.460 -0.084 0.000 1.232 231 Y HN 0.652 nan 8.280 nan 0.000 0.501 232 H N 4.398 123.488 119.070 0.033 0.000 2.517 232 H HA 0.255 4.797 4.556 -0.022 0.000 0.317 232 H C -1.879 173.414 175.328 -0.059 0.000 1.080 232 H CA -2.191 53.800 56.048 -0.095 0.000 1.301 232 H CB 1.572 31.130 29.762 -0.340 0.000 1.425 232 H HN 0.348 nan 8.280 nan 0.000 0.471 233 P HA -0.130 nan 4.420 nan 0.000 0.217 233 P C -0.349 176.977 177.300 0.043 0.000 1.148 233 P CA 1.421 64.490 63.100 -0.051 0.000 0.828 233 P CB 0.261 31.901 31.700 -0.100 0.000 0.783 234 T N -2.970 111.721 114.554 0.230 0.000 2.934 234 T HA 0.702 5.038 4.350 -0.022 0.000 0.328 234 T C -0.066 174.679 174.700 0.075 0.000 1.068 234 T CA -0.836 61.353 62.100 0.148 0.000 1.018 234 T CB 1.354 70.313 68.868 0.152 0.000 1.009 234 T HN 0.029 nan 8.240 nan 0.000 0.471 235 G N 2.713 111.501 108.800 -0.020 0.000 2.563 235 G HA2 0.638 4.585 3.960 -0.022 0.000 0.302 235 G HA3 0.638 4.585 3.960 -0.022 0.000 0.302 235 G C -0.586 174.271 174.900 -0.072 0.000 1.301 235 G CA -1.215 43.838 45.100 -0.079 0.000 0.965 235 G HN 0.832 nan 8.290 nan 0.000 0.480 236 L N 2.095 123.273 121.223 -0.076 0.000 2.483 236 L HA 0.225 4.551 4.340 -0.022 0.000 0.276 236 L C -1.581 175.240 176.870 -0.082 0.000 1.213 236 L CA -1.290 53.517 54.840 -0.055 0.000 0.843 236 L CB 0.813 42.844 42.059 -0.048 0.000 1.107 236 L HN 0.295 nan 8.230 nan 0.000 0.487 237 P HA 0.113 nan 4.420 nan 0.000 0.272 237 P C 0.592 177.818 177.300 -0.124 0.000 1.223 237 P CA 0.551 63.568 63.100 -0.138 0.000 0.784 237 P CB 1.374 33.020 31.700 -0.090 0.000 0.923 238 G N 2.101 110.768 108.800 -0.222 0.000 5.045 238 G HA2 -0.366 3.581 3.960 -0.022 0.000 0.229 238 G HA3 -0.366 3.581 3.960 -0.022 0.000 0.229 238 G C 1.420 176.348 174.900 0.046 0.000 1.440 238 G CA 0.797 45.854 45.100 -0.072 0.000 0.936 238 G HN 0.660 nan 8.290 nan 0.000 0.690 239 S N 1.087 116.794 115.700 0.012 0.000 2.406 239 S HA 0.344 4.800 4.470 -0.022 0.000 0.228 239 S C 2.533 177.139 174.600 0.010 0.000 1.020 239 S CA 1.826 60.031 58.200 0.008 0.000 0.965 239 S CB -0.282 62.870 63.200 -0.081 0.000 0.798 239 S HN 2.729 nan 8.310 nan 0.000 0.488 240 G N 1.071 109.855 108.800 -0.027 0.000 2.147 240 G HA2 -0.235 3.712 3.960 -0.022 0.000 0.244 240 G HA3 -0.235 3.712 3.960 -0.022 0.000 0.244 240 G C -0.036 174.823 174.900 -0.068 0.000 1.005 240 G CA 0.188 45.269 45.100 -0.033 0.000 0.713 240 G HN 0.610 nan 8.290 nan 0.000 0.515 241 I N 0.429 120.934 120.570 -0.109 0.000 2.533 241 I HA 0.184 4.341 4.170 -0.022 0.000 0.284 241 I C 1.070 177.093 176.117 -0.157 0.000 1.109 241 I CA -0.725 60.483 61.300 -0.153 0.000 1.412 241 I CB 0.760 38.607 38.000 -0.255 0.000 1.396 241 I HN 0.177 nan 8.210 nan 0.000 0.543 242 L N 8.954 130.076 121.223 -0.168 0.000 2.462 242 L HA 0.113 4.440 4.340 -0.022 0.000 0.272 242 L C -0.086 176.641 176.870 -0.240 0.000 1.166 242 L CA 0.792 55.475 54.840 -0.262 0.000 0.880 242 L CB 0.162 42.049 42.059 -0.287 0.000 1.142 242 L HN 0.450 nan 8.230 nan 0.000 0.473 243 M N 4.739 124.207 119.600 -0.219 0.000 2.061 243 M HA 0.161 4.628 4.480 -0.022 0.000 0.346 243 M C 0.382 176.641 176.300 -0.069 0.000 1.112 243 M CA -0.266 54.964 55.300 -0.116 0.000 1.021 243 M CB 0.565 33.143 32.600 -0.037 0.000 1.530 243 M HN 0.676 nan 8.290 nan 0.000 0.437 244 T N 1.640 116.187 114.554 -0.011 0.000 2.939 244 T HA -0.069 4.267 4.350 -0.022 0.000 0.312 244 T C 1.362 176.193 174.700 0.220 0.000 1.064 244 T CA 0.578 62.754 62.100 0.127 0.000 1.136 244 T CB 0.365 69.348 68.868 0.191 0.000 1.035 244 T HN 0.831 nan 8.240 nan 0.000 0.538 245 E N 2.932 123.341 120.200 0.349 0.000 2.219 245 E HA -0.151 4.186 4.350 -0.022 0.000 0.198 245 E C 2.079 178.693 176.600 0.023 0.000 0.998 245 E CA 1.299 57.812 56.400 0.187 0.000 0.818 245 E CB -0.789 29.006 29.700 0.159 0.000 0.741 245 E HN 0.960 nan 8.360 nan 0.000 0.477 246 G N 0.864 109.722 108.800 0.096 0.000 2.517 246 G HA2 -0.358 3.589 3.960 -0.022 0.000 0.222 246 G HA3 -0.358 3.589 3.960 -0.022 0.000 0.222 246 G C 1.649 176.545 174.900 -0.006 0.000 1.109 246 G CA 1.056 46.155 45.100 -0.001 0.000 0.746 246 G HN 0.416 nan 8.290 nan 0.000 0.576 247 C N -0.103 119.220 119.300 0.038 0.000 2.413 247 C HA -0.035 4.412 4.460 -0.022 0.000 0.277 247 C C 2.952 177.944 174.990 0.004 0.000 1.228 247 C CA 1.091 60.125 59.018 0.026 0.000 1.731 247 C CB -0.822 26.944 27.740 0.043 0.000 2.042 247 C HN 0.500 nan 8.230 nan 0.000 0.468 248 R N 0.258 120.755 120.500 -0.004 0.000 2.193 248 R HA 0.028 4.355 4.340 -0.022 0.000 0.213 248 R C 2.371 178.641 176.300 -0.050 0.000 1.055 248 R CA 1.060 57.153 56.100 -0.013 0.000 0.995 248 R CB -0.475 29.819 30.300 -0.011 0.000 0.893 248 R HN 0.632 nan 8.270 nan 0.000 0.459 249 G N 1.133 109.867 108.800 -0.110 0.000 2.421 249 G HA2 -0.192 3.755 3.960 -0.022 0.000 0.217 249 G HA3 -0.192 3.755 3.960 -0.022 0.000 0.217 249 G C 1.148 175.995 174.900 -0.088 0.000 1.143 249 G CA 0.300 45.309 45.100 -0.152 0.000 0.784 249 G HN 0.179 nan 8.290 nan 0.000 0.541 250 E N 0.194 120.360 120.200 -0.057 0.000 2.502 250 E HA 0.160 4.497 4.350 -0.022 0.000 0.194 250 E C 1.656 178.263 176.600 0.011 0.000 1.062 250 E CA 0.635 57.020 56.400 -0.025 0.000 0.867 250 E CB 0.276 29.966 29.700 -0.017 0.000 0.888 250 E HN 0.476 nan 8.360 nan 0.000 0.510 251 G N 0.825 109.645 108.800 0.033 0.000 2.164 251 G HA2 -0.160 3.787 3.960 -0.022 0.000 0.154 251 G HA3 -0.160 3.787 3.960 -0.022 0.000 0.154 251 G C 0.568 175.621 174.900 0.254 0.000 1.014 251 G CA -0.321 44.851 45.100 0.119 0.000 0.683 251 G HN 0.440 nan 8.290 nan 0.000 0.500 252 G N 0.265 109.138 108.800 0.123 0.000 2.491 252 G HA2 0.625 4.572 3.960 -0.022 0.000 0.242 252 G HA3 0.625 4.572 3.960 -0.022 0.000 0.242 252 G C 0.371 175.361 174.900 0.150 0.000 1.266 252 G CA 0.245 45.430 45.100 0.141 0.000 0.844 252 G HN 1.404 nan 8.290 nan 0.000 0.571 253 I N -1.157 119.525 120.570 0.186 0.000 2.603 253 I HA 0.656 4.813 4.170 -0.022 0.000 0.300 253 I C -0.700 175.442 176.117 0.041 0.000 1.017 253 I CA -1.280 60.058 61.300 0.063 0.000 1.098 253 I CB 2.231 40.232 38.000 0.002 0.000 1.279 253 I HN 0.189 nan 8.210 nan 0.000 0.437 254 L N 6.022 127.212 121.223 -0.056 0.000 2.280 254 L HA 0.674 5.001 4.340 -0.022 0.000 0.287 254 L C -0.335 176.419 176.870 -0.193 0.000 1.023 254 L CA -0.809 53.994 54.840 -0.061 0.000 0.819 254 L CB 1.701 43.701 42.059 -0.097 0.000 1.212 254 L HN 0.639 nan 8.230 nan 0.000 0.420 255 V N 0.154 120.124 119.914 0.093 0.000 3.001 255 V HA 0.695 4.802 4.120 -0.022 0.000 0.314 255 V C -0.609 175.738 176.094 0.422 0.000 1.099 255 V CA -0.865 61.544 62.300 0.182 0.000 0.989 255 V CB 1.939 33.864 31.823 0.171 0.000 1.040 255 V HN 0.787 nan 8.190 nan 0.000 0.434 256 N N 1.386 120.351 118.700 0.441 0.000 2.604 256 N HA 0.332 5.058 4.740 -0.022 0.000 0.297 256 N C 0.774 176.420 175.510 0.226 0.000 1.266 256 N CA -0.431 52.799 53.050 0.300 0.000 0.961 256 N CB 0.457 39.108 38.487 0.274 0.000 1.166 256 N HN 0.882 nan 8.380 nan 0.000 0.601 257 K N -1.147 119.331 120.400 0.129 0.000 2.286 257 K HA -0.133 4.174 4.320 -0.022 0.000 0.203 257 K C -0.131 176.555 176.600 0.142 0.000 1.045 257 K CA 1.452 57.812 56.287 0.122 0.000 0.935 257 K CB -0.462 32.070 32.500 0.053 0.000 0.737 257 K HN 0.422 nan 8.250 nan 0.000 0.460 258 N N 0.657 119.452 118.700 0.159 0.000 2.276 258 N HA 0.073 4.800 4.740 -0.022 0.000 0.212 258 N C 0.477 176.098 175.510 0.184 0.000 1.127 258 N CA 0.689 53.825 53.050 0.144 0.000 0.834 258 N CB 0.973 39.528 38.487 0.114 0.000 1.014 258 N HN 0.509 nan 8.380 nan 0.000 0.491 259 G N 1.138 110.064 108.800 0.211 0.000 2.269 259 G HA2 -0.348 3.599 3.960 -0.022 0.000 0.277 259 G HA3 -0.348 3.599 3.960 -0.022 0.000 0.277 259 G C -0.195 174.843 174.900 0.231 0.000 1.008 259 G CA 0.376 45.596 45.100 0.201 0.000 0.774 259 G HN 0.512 nan 8.290 nan 0.000 0.511 260 Y N 1.278 121.656 120.300 0.129 0.000 2.359 260 Y HA 0.513 5.049 4.550 -0.022 0.000 0.334 260 Y C 1.047 177.022 175.900 0.125 0.000 1.058 260 Y CA -1.548 56.623 58.100 0.118 0.000 1.244 260 Y CB 0.511 39.048 38.460 0.129 0.000 1.187 260 Y HN 0.214 nan 8.280 nan 0.000 0.510 261 R N 6.802 127.048 120.500 -0.423 0.000 2.357 261 R HA 0.003 4.330 4.340 -0.022 0.000 0.330 261 R C 0.005 175.738 176.300 -0.945 0.000 1.102 261 R CA 0.136 55.889 56.100 -0.577 0.000 0.974 261 R CB -0.158 29.919 30.300 -0.372 0.000 1.002 261 R HN 0.851 nan 8.270 nan 0.000 0.463 262 Y N 0.800 120.848 120.300 -0.420 0.000 2.475 262 Y HA 0.034 4.570 4.550 -0.022 0.000 0.289 262 Y C 1.395 177.344 175.900 0.082 0.000 1.121 262 Y CA 0.195 58.171 58.100 -0.207 0.000 1.257 262 Y CB -0.311 38.242 38.460 0.155 0.000 1.026 262 Y HN 0.352 nan 8.280 nan 0.000 0.555 263 L N 1.443 122.667 121.223 0.002 0.000 2.187 263 L HA -0.243 4.084 4.340 -0.022 0.000 0.213 263 L C 2.765 179.765 176.870 0.216 0.000 1.100 263 L CA 1.855 56.823 54.840 0.214 0.000 0.765 263 L CB -0.750 41.312 42.059 0.006 0.000 0.904 263 L HN 0.448 nan 8.230 nan 0.000 0.437 264 Q N -0.649 119.191 119.800 0.068 0.000 2.170 264 Q HA -0.230 4.096 4.340 -0.022 0.000 0.203 264 Q C 0.900 176.969 176.000 0.115 0.000 0.976 264 Q CA 1.705 57.556 55.803 0.080 0.000 0.858 264 Q CB -0.378 28.377 28.738 0.029 0.000 0.907 264 Q HN 0.370 nan 8.270 nan 0.000 0.433 265 D N -0.357 120.116 120.400 0.121 0.000 2.363 265 D HA -0.014 4.613 4.640 -0.022 0.000 0.226 265 D C -0.230 175.938 176.300 -0.219 0.000 1.020 265 D CA 0.555 54.540 54.000 -0.025 0.000 0.892 265 D CB 0.124 40.904 40.800 -0.032 0.000 0.900 265 D HN 0.416 nan 8.370 nan 0.000 0.531 266 Y N -1.145 119.239 120.300 0.140 0.000 2.716 266 Y HA 0.371 4.908 4.550 -0.022 0.000 0.260 266 Y C 1.609 177.580 175.900 0.118 0.000 1.141 266 Y CA -0.306 57.878 58.100 0.140 0.000 1.168 266 Y CB 1.022 39.602 38.460 0.200 0.000 1.189 266 Y HN -0.027 nan 8.280 nan 0.000 0.549 267 G N 0.161 109.076 108.800 0.192 0.000 2.175 267 G HA2 -0.324 3.623 3.960 -0.022 0.000 0.244 267 G HA3 -0.324 3.623 3.960 -0.022 0.000 0.244 267 G C 0.679 175.671 174.900 0.153 0.000 0.982 267 G CA 0.417 45.608 45.100 0.152 0.000 0.641 267 G HN 0.398 nan 8.290 nan 0.000 0.527 268 M N 1.356 121.062 119.600 0.176 0.000 2.475 268 M HA 0.351 4.818 4.480 -0.022 0.000 0.283 268 M C 1.453 177.873 176.300 0.199 0.000 1.165 268 M CA 0.531 55.932 55.300 0.169 0.000 0.976 268 M CB 0.838 33.520 32.600 0.137 0.000 1.428 268 M HN 0.306 nan 8.290 nan 0.000 0.495 269 G N 1.507 110.405 108.800 0.162 0.000 2.562 269 G HA2 0.540 4.486 3.960 -0.022 0.000 0.275 269 G HA3 0.540 4.486 3.960 -0.022 0.000 0.275 269 G C -2.692 172.271 174.900 0.104 0.000 1.196 269 G CA -0.855 44.312 45.100 0.112 0.000 0.908 269 G HN 0.085 nan 8.290 nan 0.000 0.524 270 P HA 0.291 nan 4.420 nan 0.000 0.292 270 P C -0.366 176.908 177.300 -0.044 0.000 1.283 270 P CA -0.749 62.336 63.100 -0.025 0.000 0.835 270 P CB 1.530 33.193 31.700 -0.062 0.000 1.017 271 E N 1.460 121.646 120.200 -0.023 0.000 2.652 271 E HA 0.051 4.388 4.350 -0.022 0.000 0.255 271 E C -0.143 176.423 176.600 -0.056 0.000 0.952 271 E CA 0.281 56.658 56.400 -0.038 0.000 0.947 271 E CB 0.328 30.011 29.700 -0.028 0.000 0.912 271 E HN 0.487 nan 8.360 nan 0.000 0.489 272 T N 2.695 117.213 114.554 -0.060 0.000 2.909 272 T HA 0.451 4.788 4.350 -0.022 0.000 0.286 272 T C -2.340 172.322 174.700 -0.063 0.000 1.002 272 T CA -1.883 60.178 62.100 -0.066 0.000 1.074 272 T CB 1.298 70.135 68.868 -0.052 0.000 0.984 272 T HN 0.245 nan 8.240 nan 0.000 0.495 273 P HA 0.214 nan 4.420 nan 0.000 0.269 273 P C 1.101 178.357 177.300 -0.074 0.000 1.215 273 P CA -0.546 62.517 63.100 -0.061 0.000 0.780 273 P CB 0.470 32.142 31.700 -0.047 0.000 0.898 274 L N 1.121 122.280 121.223 -0.106 0.000 2.081 274 L HA -0.214 4.112 4.340 -0.022 0.000 0.212 274 L C 2.395 179.233 176.870 -0.054 0.000 1.080 274 L CA 2.093 56.834 54.840 -0.165 0.000 0.754 274 L CB -1.107 40.804 42.059 -0.247 0.000 0.893 274 L HN 0.626 nan 8.230 nan 0.000 0.433 275 G N 0.263 109.049 108.800 -0.023 0.000 2.575 275 G HA2 -0.191 3.756 3.960 -0.022 0.000 0.215 275 G HA3 -0.191 3.756 3.960 -0.022 0.000 0.215 275 G C 0.211 175.117 174.900 0.010 0.000 1.262 275 G CA 0.266 45.371 45.100 0.009 0.000 0.807 275 G HN 0.440 nan 8.290 nan 0.000 0.567 276 E N 2.117 122.313 120.200 -0.007 0.000 2.055 276 E HA 0.426 4.762 4.350 -0.022 0.000 0.274 276 E C -2.422 174.174 176.600 -0.007 0.000 0.949 276 E CA -2.135 54.262 56.400 -0.006 0.000 0.775 276 E CB 1.761 31.453 29.700 -0.012 0.000 1.097 276 E HN 0.251 nan 8.360 nan 0.000 0.404 277 P HA 0.217 nan 4.420 nan 0.000 0.276 277 P C -0.725 176.588 177.300 0.022 0.000 1.261 277 P CA -0.679 62.426 63.100 0.008 0.000 0.800 277 P CB 1.074 32.778 31.700 0.007 0.000 1.066 278 K N 0.835 121.271 120.400 0.061 0.000 2.468 278 K HA 0.223 4.530 4.320 -0.022 0.000 0.252 278 K C -0.231 176.450 176.600 0.135 0.000 0.932 278 K CA -0.735 55.622 56.287 0.116 0.000 0.794 278 K CB 1.799 34.407 32.500 0.180 0.000 1.241 278 K HN 0.455 nan 8.250 nan 0.000 0.428 279 N N 2.856 121.601 118.700 0.075 0.000 2.454 279 N HA -0.058 4.668 4.740 -0.022 0.000 0.260 279 N C -0.447 175.013 175.510 -0.083 0.000 1.218 279 N CA 1.086 54.134 53.050 -0.003 0.000 0.904 279 N CB 0.410 38.883 38.487 -0.024 0.000 1.065 279 N HN 0.707 nan 8.380 nan 0.000 0.462 280 K N 0.809 121.124 120.400 -0.143 0.000 3.583 280 K HA -0.227 4.079 4.320 -0.022 0.000 0.287 280 K C -1.103 175.271 176.600 -0.377 0.000 1.269 280 K CA 1.094 57.207 56.287 -0.290 0.000 0.998 280 K CB -1.236 31.016 32.500 -0.414 0.000 1.284 280 K HN 0.561 nan 8.250 nan 0.000 0.472 281 Y N 0.095 120.392 120.300 -0.005 0.000 2.409 281 Y HA 0.433 4.970 4.550 -0.022 0.000 0.339 281 Y C 1.101 176.991 175.900 -0.017 0.000 1.033 281 Y CA -1.004 57.094 58.100 -0.004 0.000 1.094 281 Y CB 1.483 39.939 38.460 -0.006 0.000 1.210 281 Y HN 0.023 nan 8.280 nan 0.000 0.456 282 M N 0.367 120.058 119.600 0.151 0.000 7.319 282 M HA -0.395 4.072 4.480 -0.022 0.000 0.311 282 M C 1.259 177.563 176.300 0.007 0.000 0.480 282 M CA 1.624 56.953 55.300 0.049 0.000 1.311 282 M CB -0.909 31.703 32.600 0.020 0.000 0.421 282 M HN 0.789 nan 8.290 nan 0.000 0.799 283 E N 0.075 120.259 120.200 -0.026 0.000 2.267 283 E HA -0.043 4.293 4.350 -0.022 0.000 0.197 283 E C 1.363 177.949 176.600 -0.023 0.000 0.998 283 E CA 1.549 57.929 56.400 -0.033 0.000 0.830 283 E CB -0.353 29.328 29.700 -0.031 0.000 0.751 283 E HN 0.517 nan 8.360 nan 0.000 0.491 284 L N -0.250 120.964 121.223 -0.016 0.000 2.653 284 L HA 0.269 4.595 4.340 -0.022 0.000 0.231 284 L C 1.170 178.013 176.870 -0.044 0.000 1.153 284 L CA -0.499 54.319 54.840 -0.036 0.000 0.933 284 L CB -0.297 41.741 42.059 -0.035 0.000 1.175 284 L HN 0.056 nan 8.230 nan 0.000 0.473 285 G N 1.104 109.888 108.800 -0.028 0.000 2.712 285 G HA2 0.173 4.120 3.960 -0.022 0.000 0.258 285 G HA3 0.173 4.120 3.960 -0.022 0.000 0.258 285 G C -2.412 172.464 174.900 -0.041 0.000 1.241 285 G CA -0.638 44.440 45.100 -0.038 0.000 0.923 285 G HN 0.017 nan 8.290 nan 0.000 0.548 286 P HA 0.127 nan 4.420 nan 0.000 0.268 286 P C 1.002 178.283 177.300 -0.031 0.000 1.205 286 P CA -0.409 62.673 63.100 -0.030 0.000 0.771 286 P CB 0.877 32.568 31.700 -0.016 0.000 0.858 287 R N 1.825 122.299 120.500 -0.043 0.000 2.122 287 R HA -0.229 4.097 4.340 -0.022 0.000 0.236 287 R C 1.249 177.513 176.300 -0.059 0.000 1.129 287 R CA 2.281 58.342 56.100 -0.065 0.000 0.925 287 R CB -0.624 29.637 30.300 -0.065 0.000 0.850 287 R HN 0.528 nan 8.270 nan 0.000 0.431 288 D N 0.294 120.664 120.400 -0.051 0.000 2.116 288 D HA -0.174 4.453 4.640 -0.022 0.000 0.193 288 D C 1.871 178.119 176.300 -0.086 0.000 0.998 288 D CA 1.217 55.169 54.000 -0.081 0.000 0.836 288 D CB -0.196 40.562 40.800 -0.070 0.000 0.951 288 D HN 0.183 nan 8.370 nan 0.000 0.449 289 K N 0.511 120.891 120.400 -0.033 0.000 2.152 289 K HA -0.068 4.238 4.320 -0.022 0.000 0.206 289 K C 2.210 178.814 176.600 0.007 0.000 1.048 289 K CA 0.373 56.665 56.287 0.008 0.000 0.933 289 K CB -0.379 32.150 32.500 0.048 0.000 0.721 289 K HN 0.154 nan 8.250 nan 0.000 0.447 290 V N 1.131 121.046 119.914 0.002 0.000 2.379 290 V HA -0.168 3.939 4.120 -0.022 0.000 0.245 290 V C 2.264 178.384 176.094 0.044 0.000 1.044 290 V CA 1.636 63.959 62.300 0.039 0.000 1.036 290 V CB -0.368 31.470 31.823 0.024 0.000 0.664 290 V HN 0.226 nan 8.190 nan 0.000 0.453 291 S N -0.233 115.453 115.700 -0.024 0.000 2.348 291 S HA -0.283 4.174 4.470 -0.022 0.000 0.221 291 S C 1.986 176.555 174.600 -0.052 0.000 1.033 291 S CA 1.621 59.791 58.200 -0.050 0.000 1.010 291 S CB -0.417 62.702 63.200 -0.134 0.000 0.891 291 S HN 0.629 nan 8.310 nan 0.000 0.442 292 Q N 0.996 120.694 119.800 -0.170 0.000 2.133 292 Q HA -0.179 4.147 4.340 -0.022 0.000 0.208 292 Q C 2.466 178.413 176.000 -0.089 0.000 0.991 292 Q CA 1.585 57.246 55.803 -0.236 0.000 0.867 292 Q CB -0.479 28.127 28.738 -0.221 0.000 0.911 292 Q HN 0.632 nan 8.270 nan 0.000 0.417 293 A N 0.319 123.081 122.820 -0.096 0.000 1.933 293 A HA -0.197 4.110 4.320 -0.022 0.000 0.218 293 A C 1.829 179.292 177.584 -0.201 0.000 1.175 293 A CA 1.101 52.930 52.037 -0.347 0.000 0.628 293 A CB -0.783 18.003 19.000 -0.356 0.000 0.814 293 A HN 0.477 nan 8.150 nan 0.000 0.444 294 F N -1.044 118.820 119.950 -0.144 0.000 2.069 294 F HA -0.219 4.295 4.527 -0.022 0.000 0.298 294 F C 2.046 177.858 175.800 0.020 0.000 1.113 294 F CA 2.254 60.188 58.000 -0.110 0.000 1.214 294 F CB -0.480 38.494 39.000 -0.045 0.000 0.978 294 F HN 0.470 nan 8.300 nan 0.000 0.474 295 W N 1.051 122.434 121.300 0.139 0.000 2.317 295 W HA -0.304 4.343 4.660 -0.022 0.000 0.318 295 W C 2.812 179.426 176.519 0.158 0.000 1.227 295 W CA 2.629 60.060 57.345 0.144 0.000 1.269 295 W CB -0.748 28.761 29.460 0.081 0.000 1.155 295 W HN 0.113 nan 8.180 nan 0.000 0.484 296 H N -0.092 119.273 119.070 0.492 0.000 2.319 296 H HA -0.143 4.400 4.556 -0.022 0.000 0.299 296 H C 2.105 177.477 175.328 0.074 0.000 1.092 296 H CA 1.851 58.093 56.048 0.323 0.000 1.302 296 H CB -0.836 29.179 29.762 0.422 0.000 1.373 296 H HN 0.217 nan 8.280 nan 0.000 0.497 297 E N 0.147 120.378 120.200 0.052 0.000 2.118 297 E HA -0.181 4.156 4.350 -0.022 0.000 0.195 297 E C 2.210 178.688 176.600 -0.203 0.000 0.992 297 E CA 0.629 56.948 56.400 -0.134 0.000 0.804 297 E CB -0.498 28.921 29.700 -0.470 0.000 0.741 297 E HN 0.572 nan 8.360 nan 0.000 0.458 298 W N 2.302 123.317 121.300 -0.476 0.000 2.363 298 W HA -0.146 4.501 4.660 -0.022 0.000 0.296 298 W C 2.306 178.615 176.519 -0.350 0.000 1.212 298 W CA 1.672 58.742 57.345 -0.459 0.000 1.260 298 W CB -0.134 29.007 29.460 -0.532 0.000 1.131 298 W HN -0.079 nan 8.180 nan 0.000 0.530 299 R N 1.154 121.364 120.500 -0.482 0.000 2.091 299 R HA -0.183 4.144 4.340 -0.022 0.000 0.238 299 R C 1.906 177.925 176.300 -0.468 0.000 1.136 299 R CA 1.897 57.598 56.100 -0.664 0.000 0.959 299 R CB -0.572 29.505 30.300 -0.372 0.000 0.856 299 R HN 0.196 nan 8.270 nan 0.000 0.437 300 K N -0.838 119.405 120.400 -0.262 0.000 2.442 300 K HA -0.013 4.293 4.320 -0.022 0.000 0.198 300 K C 0.681 177.144 176.600 -0.229 0.000 1.042 300 K CA 0.692 56.868 56.287 -0.185 0.000 0.958 300 K CB 0.039 32.494 32.500 -0.074 0.000 0.766 300 K HN 0.546 nan 8.250 nan 0.000 0.474 301 G N 1.945 110.546 108.800 -0.333 0.000 2.248 301 G HA2 -0.198 3.749 3.960 -0.022 0.000 0.263 301 G HA3 -0.198 3.749 3.960 -0.022 0.000 0.263 301 G C -0.015 174.778 174.900 -0.178 0.000 1.082 301 G CA 0.055 44.979 45.100 -0.293 0.000 0.863 301 G HN 0.259 nan 8.290 nan 0.000 0.495 302 N N -0.148 118.451 118.700 -0.169 0.000 2.205 302 N HA 0.111 4.838 4.740 -0.022 0.000 0.201 302 N C 1.141 176.583 175.510 -0.114 0.000 1.128 302 N CA 0.893 53.882 53.050 -0.101 0.000 0.867 302 N CB 0.569 39.019 38.487 -0.062 0.000 0.996 302 N HN 0.746 nan 8.380 nan 0.000 0.503 303 T N -0.418 114.043 114.554 -0.155 0.000 2.897 303 T HA 0.490 4.827 4.350 -0.022 0.000 0.294 303 T C 0.534 175.184 174.700 -0.085 0.000 1.004 303 T CA -0.582 61.429 62.100 -0.149 0.000 1.106 303 T CB 1.135 69.917 68.868 -0.143 0.000 0.949 303 T HN -0.148 nan 8.240 nan 0.000 0.520 304 I N 2.285 122.788 120.570 -0.112 0.000 2.474 304 I HA 0.232 4.388 4.170 -0.022 0.000 0.287 304 I C 0.667 176.752 176.117 -0.054 0.000 1.048 304 I CA 0.100 61.344 61.300 -0.094 0.000 1.383 304 I CB 1.018 38.892 38.000 -0.211 0.000 1.412 304 I HN 0.627 nan 8.210 nan 0.000 0.531 305 S N 3.971 119.664 115.700 -0.011 0.000 2.422 305 S HA 0.523 4.980 4.470 -0.022 0.000 0.308 305 S C 0.172 174.785 174.600 0.021 0.000 1.097 305 S CA -0.817 57.392 58.200 0.016 0.000 1.099 305 S CB 0.753 63.969 63.200 0.027 0.000 0.976 305 S HN 0.784 nan 8.310 nan 0.000 0.471 306 T N 0.533 115.099 114.554 0.021 0.000 2.948 306 T HA 0.529 4.866 4.350 -0.022 0.000 0.285 306 T C -2.249 172.468 174.700 0.029 0.000 1.019 306 T CA -2.175 59.942 62.100 0.029 0.000 1.013 306 T CB 1.018 69.905 68.868 0.031 0.000 1.117 306 T HN 0.126 nan 8.240 nan 0.000 0.533 307 P HA 0.024 nan 4.420 nan 0.000 0.220 307 P C 1.399 178.716 177.300 0.027 0.000 1.148 307 P CA 0.701 63.821 63.100 0.033 0.000 0.803 307 P CB 0.095 31.816 31.700 0.036 0.000 0.782 308 R N -0.919 119.591 120.500 0.018 0.000 2.235 308 R HA 0.267 4.593 4.340 -0.022 0.000 0.213 308 R C 1.127 177.399 176.300 -0.047 0.000 1.059 308 R CA 0.985 57.081 56.100 -0.007 0.000 0.997 308 R CB -0.428 29.867 30.300 -0.009 0.000 0.884 308 R HN 0.247 nan 8.270 nan 0.000 0.462 309 G N 0.850 109.638 108.800 -0.020 0.000 2.351 309 G HA2 -0.116 3.830 3.960 -0.022 0.000 0.353 309 G HA3 -0.116 3.830 3.960 -0.022 0.000 0.353 309 G C -1.956 172.954 174.900 0.015 0.000 1.358 309 G CA -1.016 44.071 45.100 -0.022 0.000 0.995 309 G HN 0.011 nan 8.290 nan 0.000 0.611 310 D N 0.151 120.585 120.400 0.057 0.000 2.348 310 D HA 0.493 5.120 4.640 -0.022 0.000 0.253 310 D C 0.772 177.178 176.300 0.177 0.000 1.161 310 D CA 0.774 54.838 54.000 0.106 0.000 0.876 310 D CB 1.563 42.478 40.800 0.192 0.000 1.160 310 D HN 1.090 nan 8.370 nan 0.000 0.459 311 V N -0.056 119.918 119.914 0.100 0.000 3.130 311 V HA 0.805 4.912 4.120 -0.022 0.000 0.310 311 V C -0.216 175.899 176.094 0.036 0.000 1.158 311 V CA -1.081 61.311 62.300 0.154 0.000 1.029 311 V CB 1.552 33.377 31.823 0.003 0.000 1.057 311 V HN 0.306 nan 8.190 nan 0.000 0.436 312 V N -0.456 119.561 119.914 0.171 0.000 2.994 312 V HA 0.670 4.777 4.120 -0.022 0.000 0.318 312 V C -0.880 175.235 176.094 0.035 0.000 1.085 312 V CA -0.923 61.416 62.300 0.065 0.000 0.998 312 V CB 1.762 33.743 31.823 0.264 0.000 1.063 312 V HN 0.875 nan 8.190 nan 0.000 0.447 313 Y N 1.849 122.272 120.300 0.205 0.000 2.327 313 Y HA 0.581 5.117 4.550 -0.022 0.000 0.336 313 Y C 0.022 176.003 175.900 0.136 0.000 1.035 313 Y CA -0.674 57.515 58.100 0.149 0.000 1.165 313 Y CB 1.880 40.412 38.460 0.120 0.000 1.181 313 Y HN 0.617 nan 8.280 nan 0.000 0.494 314 L N 5.038 126.446 121.223 0.308 0.000 2.270 314 L HA 0.292 4.619 4.340 -0.022 0.000 0.286 314 L C -0.802 176.159 176.870 0.152 0.000 1.059 314 L CA -0.337 54.617 54.840 0.190 0.000 0.839 314 L CB 0.193 42.338 42.059 0.143 0.000 1.221 314 L HN 0.520 nan 8.230 nan 0.000 0.431 315 D N 4.045 124.529 120.400 0.140 0.000 2.316 315 D HA 0.273 4.899 4.640 -0.022 0.000 0.245 315 D C 0.453 176.813 176.300 0.101 0.000 1.171 315 D CA 0.087 54.154 54.000 0.111 0.000 0.856 315 D CB 0.786 41.664 40.800 0.129 0.000 1.090 315 D HN 0.622 nan 8.370 nan 0.000 0.476 316 L N 3.746 124.967 121.223 -0.003 0.000 2.966 316 L HA 0.254 4.581 4.340 -0.022 0.000 0.262 316 L C 2.020 178.744 176.870 -0.245 0.000 1.165 316 L CA -0.319 54.428 54.840 -0.155 0.000 0.978 316 L CB 0.156 42.168 42.059 -0.078 0.000 1.337 316 L HN 0.304 nan 8.230 nan 0.000 0.563 317 R N 0.529 120.966 120.500 -0.104 0.000 2.091 317 R HA -0.164 4.163 4.340 -0.022 0.000 0.238 317 R C 2.043 178.293 176.300 -0.084 0.000 1.136 317 R CA 1.736 57.801 56.100 -0.058 0.000 0.959 317 R CB -0.626 29.681 30.300 0.012 0.000 0.856 317 R HN 0.574 nan 8.270 nan 0.000 0.437 318 H N 0.856 119.926 119.070 -0.000 0.000 2.560 318 H HA -0.003 4.540 4.556 -0.022 0.000 0.283 318 H C 1.770 177.098 175.328 0.000 0.000 1.028 318 H CA 0.693 56.740 56.048 -0.002 0.000 1.221 318 H CB -0.312 29.448 29.762 -0.003 0.000 1.363 318 H HN 0.232 nan 8.280 nan 0.000 0.594 319 L N 0.564 121.569 121.223 -0.364 0.000 2.072 319 L HA 0.091 4.418 4.340 -0.022 0.000 0.205 319 L C 1.331 178.156 176.870 -0.075 0.000 1.079 319 L CA 0.850 55.575 54.840 -0.192 0.000 0.752 319 L CB -0.530 41.400 42.059 -0.213 0.000 0.906 319 L HN 0.588 nan 8.230 nan 0.000 0.436 320 G N -0.426 108.332 108.800 -0.070 0.000 2.730 320 G HA2 -0.190 3.756 3.960 -0.022 0.000 0.686 320 G HA3 -0.190 3.756 3.960 -0.022 0.000 0.686 320 G C 0.208 175.070 174.900 -0.065 0.000 1.343 320 G CA -0.282 44.789 45.100 -0.049 0.000 0.826 320 G HN 0.023 nan 8.290 nan 0.000 0.582 321 E N 0.403 120.544 120.200 -0.098 0.000 2.026 321 E HA -0.195 4.141 4.350 -0.022 0.000 0.206 321 E C 2.460 178.909 176.600 -0.252 0.000 1.028 321 E CA 2.046 58.318 56.400 -0.213 0.000 0.845 321 E CB -0.353 29.212 29.700 -0.225 0.000 0.772 321 E HN 0.587 nan 8.360 nan 0.000 0.462 322 K N 1.316 121.622 120.400 -0.156 0.000 2.020 322 K HA -0.185 4.122 4.320 -0.022 0.000 0.212 322 K C 2.098 178.687 176.600 -0.018 0.000 1.050 322 K CA 2.174 58.407 56.287 -0.091 0.000 0.929 322 K CB -0.375 32.097 32.500 -0.047 0.000 0.714 322 K HN -0.010 nan 8.250 nan 0.000 0.443 323 K N -0.075 120.320 120.400 -0.009 0.000 2.113 323 K HA -0.145 4.161 4.320 -0.022 0.000 0.208 323 K C 2.063 178.696 176.600 0.055 0.000 1.047 323 K CA 1.674 57.973 56.287 0.020 0.000 0.928 323 K CB -0.162 32.339 32.500 0.003 0.000 0.716 323 K HN 0.180 nan 8.250 nan 0.000 0.446 324 L N -0.390 120.873 121.223 0.067 0.000 2.044 324 L HA -0.169 4.158 4.340 -0.022 0.000 0.205 324 L C 2.219 179.252 176.870 0.272 0.000 1.075 324 L CA 1.173 56.104 54.840 0.152 0.000 0.747 324 L CB -0.348 41.813 42.059 0.170 0.000 0.903 324 L HN 0.264 nan 8.230 nan 0.000 0.435 325 H N -1.181 117.910 119.070 0.035 0.000 2.470 325 H HA -0.095 4.448 4.556 -0.022 0.000 0.289 325 H C 2.015 177.379 175.328 0.060 0.000 1.033 325 H CA 0.782 56.858 56.048 0.047 0.000 1.331 325 H CB 0.053 29.837 29.762 0.036 0.000 1.414 325 H HN 0.348 nan 8.280 nan 0.000 0.545 326 E N 0.522 120.833 120.200 0.185 0.000 2.072 326 E HA -0.118 4.219 4.350 -0.022 0.000 0.190 326 E C 1.207 177.898 176.600 0.151 0.000 0.982 326 E CA 0.919 57.404 56.400 0.141 0.000 0.803 326 E CB 0.303 30.070 29.700 0.111 0.000 0.755 326 E HN 0.302 nan 8.360 nan 0.000 0.453 327 R N -1.125 119.463 120.500 0.147 0.000 2.453 327 R HA 0.278 4.604 4.340 -0.022 0.000 0.233 327 R C 0.913 177.304 176.300 0.151 0.000 0.895 327 R CA 0.073 56.269 56.100 0.160 0.000 1.028 327 R CB 0.712 31.090 30.300 0.130 0.000 1.255 327 R HN 0.041 nan 8.270 nan 0.000 0.571 328 L N 1.601 122.903 121.223 0.132 0.000 3.110 328 L HA 0.331 4.658 4.340 -0.022 0.000 0.266 328 L C -1.595 175.333 176.870 0.097 0.000 1.257 328 L CA -0.917 53.992 54.840 0.116 0.000 1.038 328 L CB 0.710 42.821 42.059 0.086 0.000 1.395 328 L HN -0.029 nan 8.230 nan 0.000 0.566 329 P HA -0.214 nan 4.420 nan 0.000 0.217 329 P C 1.589 178.954 177.300 0.108 0.000 1.150 329 P CA 1.248 64.356 63.100 0.015 0.000 0.832 329 P CB 0.166 31.873 31.700 0.012 0.000 0.787 330 F N 1.318 121.259 119.950 -0.016 0.000 2.113 330 F HA -0.119 4.395 4.527 -0.023 0.000 0.297 330 F C 2.183 177.989 175.800 0.010 0.000 1.103 330 F CA 0.734 58.729 58.000 -0.010 0.000 1.248 330 F CB -1.139 37.861 39.000 0.001 0.000 0.999 330 F HN -0.286 nan 8.300 nan 0.000 0.475 331 I N -0.206 120.363 120.570 -0.001 0.000 2.264 331 I HA -0.342 3.815 4.170 -0.022 0.000 0.248 331 I C 2.764 178.855 176.117 -0.043 0.000 1.111 331 I CA 1.020 62.267 61.300 -0.089 0.000 1.382 331 I CB -1.947 36.046 38.000 -0.011 0.000 1.060 331 I HN 0.240 nan 8.210 nan 0.000 0.418 332 C N 0.388 119.688 119.300 -0.000 0.000 2.432 332 C HA -0.173 4.274 4.460 -0.022 0.000 0.277 332 C C 2.866 177.851 174.990 -0.008 0.000 1.249 332 C CA 1.145 60.159 59.018 -0.005 0.000 1.725 332 C CB -0.799 26.917 27.740 -0.040 0.000 2.028 332 C HN 0.503 nan 8.230 nan 0.000 0.477 333 E N 0.687 120.890 120.200 0.005 0.000 2.107 333 E HA -0.085 4.251 4.350 -0.022 0.000 0.191 333 E C 1.975 178.589 176.600 0.023 0.000 0.982 333 E CA 1.011 57.424 56.400 0.021 0.000 0.809 333 E CB -0.383 29.360 29.700 0.072 0.000 0.756 333 E HN 0.565 nan 8.360 nan 0.000 0.459 334 L N 0.092 121.311 121.223 -0.006 0.000 1.955 334 L HA -0.223 4.104 4.340 -0.022 0.000 0.213 334 L C 2.565 179.510 176.870 0.125 0.000 1.072 334 L CA 1.510 56.392 54.840 0.070 0.000 0.755 334 L CB -0.799 41.165 42.059 -0.158 0.000 0.888 334 L HN 0.244 nan 8.230 nan 0.000 0.432 335 A N -0.248 122.595 122.820 0.040 0.000 1.917 335 A HA -0.271 4.036 4.320 -0.022 0.000 0.219 335 A C 2.324 179.935 177.584 0.044 0.000 1.182 335 A CA 2.059 54.126 52.037 0.050 0.000 0.633 335 A CB -0.523 18.494 19.000 0.028 0.000 0.819 335 A HN 0.346 nan 8.150 nan 0.000 0.448 336 K N -0.698 119.713 120.400 0.018 0.000 2.020 336 K HA -0.166 4.141 4.320 -0.022 0.000 0.212 336 K C 2.378 178.956 176.600 -0.036 0.000 1.050 336 K CA 1.423 57.708 56.287 -0.003 0.000 0.929 336 K CB -0.351 32.143 32.500 -0.010 0.000 0.714 336 K HN 0.482 nan 8.250 nan 0.000 0.443 337 A N 0.204 122.974 122.820 -0.083 0.000 1.872 337 A HA -0.120 4.187 4.320 -0.022 0.000 0.214 337 A C 1.780 179.185 177.584 -0.298 0.000 1.187 337 A CA 1.212 53.092 52.037 -0.261 0.000 0.614 337 A CB -0.578 18.139 19.000 -0.472 0.000 0.826 337 A HN 0.328 nan 8.150 nan 0.000 0.442 338 Y N -1.009 119.287 120.300 -0.006 0.000 2.510 338 Y HA 0.151 4.688 4.550 -0.022 0.000 0.273 338 Y C 1.830 177.733 175.900 0.005 0.000 1.119 338 Y CA 0.825 58.924 58.100 -0.001 0.000 1.286 338 Y CB 0.612 39.065 38.460 -0.011 0.000 1.061 338 Y HN 0.241 nan 8.280 nan 0.000 0.542 339 V N -5.275 114.712 119.914 0.123 0.000 3.411 339 V HA 0.580 4.686 4.120 -0.022 0.000 0.287 339 V C 1.164 177.293 176.094 0.058 0.000 1.543 339 V CA 0.175 62.527 62.300 0.088 0.000 1.028 339 V CB 0.315 32.192 31.823 0.091 0.000 0.840 339 V HN 0.224 nan 8.190 nan 0.000 0.435 340 G N 0.817 109.637 108.800 0.035 0.000 2.225 340 G HA2 -0.144 3.802 3.960 -0.022 0.000 0.264 340 G HA3 -0.144 3.802 3.960 -0.022 0.000 0.264 340 G C -0.216 174.699 174.900 0.025 0.000 1.060 340 G CA 0.246 45.358 45.100 0.020 0.000 0.833 340 G HN 1.099 nan 8.290 nan 0.000 0.498 341 V N 0.552 120.483 119.914 0.028 0.000 2.483 341 V HA 0.407 4.513 4.120 -0.022 0.000 0.297 341 V C -0.257 175.850 176.094 0.020 0.000 1.027 341 V CA -1.141 61.175 62.300 0.026 0.000 0.855 341 V CB 1.936 33.783 31.823 0.039 0.000 0.995 341 V HN 0.376 nan 8.190 nan 0.000 0.424 342 D N 7.730 128.140 120.400 0.016 0.000 2.336 342 D HA 0.214 4.841 4.640 -0.022 0.000 0.249 342 D C -1.420 174.891 176.300 0.018 0.000 1.213 342 D CA -1.712 52.301 54.000 0.022 0.000 0.870 342 D CB 2.219 43.033 40.800 0.024 0.000 1.076 342 D HN 0.259 nan 8.370 nan 0.000 0.483 343 P HA -0.106 nan 4.420 nan 0.000 0.231 343 P C 1.209 178.510 177.300 0.003 0.000 1.158 343 P CA 0.476 63.584 63.100 0.013 0.000 0.763 343 P CB 0.432 32.144 31.700 0.020 0.000 0.805 344 V N -0.592 119.331 119.914 0.015 0.000 2.825 344 V HA 0.033 4.139 4.120 -0.022 0.000 0.246 344 V C 2.632 178.724 176.094 -0.003 0.000 1.068 344 V CA 1.070 63.371 62.300 0.002 0.000 1.088 344 V CB -0.859 30.972 31.823 0.014 0.000 0.733 344 V HN 0.072 nan 8.190 nan 0.000 0.468 345 K N 0.925 121.325 120.400 0.001 0.000 2.067 345 K HA -0.008 4.298 4.320 -0.022 0.000 0.203 345 K C 0.935 177.523 176.600 -0.019 0.000 1.048 345 K CA 1.156 57.440 56.287 -0.005 0.000 0.954 345 K CB 0.397 32.897 32.500 0.001 0.000 0.737 345 K HN 0.797 nan 8.250 nan 0.000 0.444 346 E N -0.573 119.610 120.200 -0.028 0.000 2.460 346 E HA 0.388 4.724 4.350 -0.022 0.000 0.277 346 E C -2.894 173.658 176.600 -0.080 0.000 1.010 346 E CA -2.397 53.965 56.400 -0.064 0.000 0.838 346 E CB 1.974 31.629 29.700 -0.075 0.000 1.448 346 E HN -0.199 nan 8.360 nan 0.000 0.462 347 P HA 0.261 nan 4.420 nan 0.000 0.277 347 P C -0.599 176.677 177.300 -0.041 0.000 1.240 347 P CA -0.429 62.572 63.100 -0.166 0.000 0.798 347 P CB 0.451 31.860 31.700 -0.486 0.000 0.979 348 I N -1.355 119.282 120.570 0.113 0.000 2.392 348 I HA 0.598 4.755 4.170 -0.022 0.000 0.295 348 I C -2.725 173.591 176.117 0.332 0.000 0.985 348 I CA -3.353 58.056 61.300 0.183 0.000 1.221 348 I CB 1.780 39.844 38.000 0.107 0.000 1.366 348 I HN 0.044 nan 8.210 nan 0.000 0.467 349 P HA 0.236 nan 4.420 nan 0.000 0.276 349 P C -0.722 176.644 177.300 0.110 0.000 1.230 349 P CA -0.169 63.043 63.100 0.188 0.000 0.776 349 P CB 1.227 32.999 31.700 0.120 0.000 0.888 350 V N 0.852 120.821 119.914 0.093 0.000 3.114 350 V HA 0.923 5.029 4.120 -0.022 0.000 0.308 350 V C -0.738 175.369 176.094 0.022 0.000 1.168 350 V CA -1.227 61.106 62.300 0.055 0.000 1.015 350 V CB 2.448 34.324 31.823 0.088 0.000 1.050 350 V HN 0.726 nan 8.190 nan 0.000 0.433 351 R N 0.927 121.346 120.500 -0.136 0.000 2.634 351 R HA 0.666 4.993 4.340 -0.022 0.000 0.263 351 R C -3.439 172.605 176.300 -0.428 0.000 1.060 351 R CA -1.622 54.179 56.100 -0.499 0.000 0.898 351 R CB 1.694 31.661 30.300 -0.555 0.000 1.253 351 R HN 0.477 nan 8.270 nan 0.000 0.461 352 P HA 0.054 nan 4.420 nan 0.000 0.266 352 P C -0.808 176.485 177.300 -0.012 0.000 1.195 352 P CA 0.261 63.239 63.100 -0.204 0.000 0.768 352 P CB 0.843 32.396 31.700 -0.244 0.000 0.838 353 T N -0.985 113.630 114.554 0.102 0.000 2.900 353 T HA 0.710 5.047 4.350 -0.022 0.000 0.303 353 T C -0.529 174.039 174.700 -0.220 0.000 1.142 353 T CA -1.120 60.994 62.100 0.024 0.000 1.007 353 T CB 1.395 70.246 68.868 -0.028 0.000 1.156 353 T HN 0.310 nan 8.240 nan 0.000 0.490 354 A N 1.349 123.794 122.820 -0.626 0.000 2.524 354 A HA 0.451 4.757 4.320 -0.022 0.000 0.250 354 A C 0.503 177.877 177.584 -0.351 0.000 1.078 354 A CA 0.284 51.734 52.037 -0.979 0.000 0.761 354 A CB -0.436 17.854 19.000 -1.184 0.000 1.012 354 A HN 1.148 nan 8.150 nan 0.000 0.500 355 H N 1.368 120.226 119.070 -0.353 0.000 2.074 355 H HA 0.324 4.867 4.556 -0.022 0.000 0.198 355 H C -0.942 174.388 175.328 0.003 0.000 0.938 355 H CA 0.819 56.813 56.048 -0.090 0.000 1.125 355 H CB 0.222 30.014 29.762 0.051 0.000 1.195 355 H HN 0.652 nan 8.280 nan 0.000 0.430 356 Y N 1.085 121.274 120.300 -0.186 0.000 2.425 356 Y HA 0.435 4.971 4.550 -0.022 0.000 0.344 356 Y C -0.895 174.934 175.900 -0.119 0.000 0.969 356 Y CA -0.942 57.027 58.100 -0.220 0.000 1.052 356 Y CB 1.885 40.233 38.460 -0.186 0.000 1.215 356 Y HN 0.094 nan 8.280 nan 0.000 0.451 357 T N 7.788 121.848 114.554 -0.823 0.000 2.782 357 T HA 0.115 4.451 4.350 -0.022 0.000 0.298 357 T C 1.086 175.425 174.700 -0.601 0.000 0.944 357 T CA -0.276 61.500 62.100 -0.539 0.000 1.001 357 T CB 0.476 69.110 68.868 -0.390 0.000 0.932 357 T HN 0.770 nan 8.240 nan 0.000 0.524 358 M N 2.421 121.949 119.600 -0.120 0.000 2.175 358 M HA 0.115 4.582 4.480 -0.022 0.000 0.264 358 M C 1.834 178.172 176.300 0.063 0.000 1.063 358 M CA 0.901 56.270 55.300 0.114 0.000 1.119 358 M CB -0.443 32.291 32.600 0.224 0.000 1.377 358 M HN 0.720 nan 8.290 nan 0.000 0.415 359 G N -1.017 107.800 108.800 0.028 0.000 2.631 359 G HA2 0.464 4.410 3.960 -0.022 0.000 0.271 359 G HA3 0.464 4.410 3.960 -0.022 0.000 0.271 359 G C 0.165 175.023 174.900 -0.069 0.000 1.302 359 G CA -0.075 45.029 45.100 0.006 0.000 1.002 359 G HN 0.649 nan 8.290 nan 0.000 0.519 360 G N -1.980 106.769 108.800 -0.085 0.000 2.352 360 G HA2 0.272 4.219 3.960 -0.022 0.000 0.283 360 G HA3 0.272 4.219 3.960 -0.022 0.000 0.283 360 G C -0.727 174.092 174.900 -0.135 0.000 1.308 360 G CA -0.674 44.357 45.100 -0.115 0.000 0.892 360 G HN 0.783 nan 8.290 nan 0.000 0.504 361 I N 1.537 122.022 120.570 -0.141 0.000 2.598 361 I HA 0.139 4.295 4.170 -0.022 0.000 0.284 361 I C 1.071 177.085 176.117 -0.172 0.000 1.140 361 I CA 0.144 61.350 61.300 -0.157 0.000 1.420 361 I CB 0.843 38.759 38.000 -0.141 0.000 1.387 361 I HN 0.514 nan 8.210 nan 0.000 0.553 362 E N 5.793 125.876 120.200 -0.194 0.000 2.384 362 E HA 0.161 4.497 4.350 -0.022 0.000 0.266 362 E C -0.694 175.795 176.600 -0.186 0.000 1.012 362 E CA 0.033 56.312 56.400 -0.200 0.000 0.901 362 E CB 0.726 30.299 29.700 -0.212 0.000 0.967 362 E HN 0.728 nan 8.360 nan 0.000 0.435 363 T N 1.185 115.626 114.554 -0.188 0.000 2.932 363 T HA 0.227 4.563 4.350 -0.022 0.000 0.318 363 T C -0.632 173.973 174.700 -0.159 0.000 1.265 363 T CA -1.189 60.809 62.100 -0.171 0.000 1.036 363 T CB 1.377 70.145 68.868 -0.167 0.000 1.209 363 T HN 0.477 nan 8.240 nan 0.000 0.484 364 D N 1.131 121.455 120.400 -0.128 0.000 2.414 364 D HA 0.151 4.778 4.640 -0.022 0.000 0.259 364 D C 1.108 177.352 176.300 -0.092 0.000 1.269 364 D CA -0.465 53.475 54.000 -0.099 0.000 1.028 364 D CB 0.319 41.073 40.800 -0.077 0.000 1.093 364 D HN 0.472 nan 8.370 nan 0.000 0.545 365 Q N -0.997 118.762 119.800 -0.069 0.000 2.443 365 Q HA -0.026 4.300 4.340 -0.022 0.000 0.213 365 Q C 0.419 176.380 176.000 -0.065 0.000 0.982 365 Q CA 1.050 56.814 55.803 -0.064 0.000 0.894 365 Q CB -0.307 28.395 28.738 -0.060 0.000 0.947 365 Q HN 0.358 nan 8.270 nan 0.000 0.480 366 N N -1.555 117.127 118.700 -0.030 0.000 2.203 366 N HA 0.111 4.838 4.740 -0.022 0.000 0.207 366 N C -0.403 175.192 175.510 0.142 0.000 1.130 366 N CA 0.132 53.199 53.050 0.029 0.000 0.861 366 N CB 0.650 39.169 38.487 0.053 0.000 1.005 366 N HN 0.144 nan 8.380 nan 0.000 0.507 367 C N 0.512 119.857 119.300 0.075 0.000 4.593 367 C HA -0.171 4.276 4.460 -0.022 0.000 0.263 367 C C 0.687 175.773 174.990 0.160 0.000 1.378 367 C CA 0.025 59.114 59.018 0.118 0.000 1.666 367 C CB -2.251 25.612 27.740 0.205 0.000 1.603 367 C HN 0.482 nan 8.230 nan 0.000 0.704 368 E N 1.074 121.259 120.200 -0.025 0.000 2.266 368 E HA 0.456 4.793 4.350 -0.022 0.000 0.277 368 E C 0.880 177.285 176.600 -0.325 0.000 1.018 368 E CA 0.481 56.609 56.400 -0.454 0.000 0.840 368 E CB 1.111 30.504 29.700 -0.510 0.000 1.082 368 E HN 0.583 nan 8.360 nan 0.000 0.395 369 T N 0.929 115.249 114.554 -0.389 0.000 2.810 369 T HA 0.248 4.585 4.350 -0.022 0.000 0.277 369 T C 1.075 175.633 174.700 -0.236 0.000 0.973 369 T CA -0.508 61.434 62.100 -0.263 0.000 0.949 369 T CB 0.855 69.577 68.868 -0.243 0.000 1.075 369 T HN 0.524 nan 8.240 nan 0.000 0.537 370 R N -0.444 119.958 120.500 -0.163 0.000 2.293 370 R HA 0.130 4.456 4.340 -0.022 0.000 0.219 370 R C 0.236 176.459 176.300 -0.129 0.000 1.091 370 R CA 0.704 56.735 56.100 -0.115 0.000 1.004 370 R CB -0.578 29.692 30.300 -0.050 0.000 0.865 370 R HN 0.588 nan 8.270 nan 0.000 0.469 371 I N 1.786 122.251 120.570 -0.176 0.000 2.297 371 I HA 0.095 4.251 4.170 -0.022 0.000 0.291 371 I C 0.058 175.983 176.117 -0.320 0.000 1.033 371 I CA -0.644 60.539 61.300 -0.195 0.000 1.253 371 I CB 1.215 39.119 38.000 -0.160 0.000 1.396 371 I HN -0.140 nan 8.210 nan 0.000 0.476 372 K N 4.501 124.699 120.400 -0.336 0.000 2.511 372 K HA 0.099 4.406 4.320 -0.022 0.000 0.280 372 K C 1.192 177.352 176.600 -0.733 0.000 1.008 372 K CA 1.468 57.472 56.287 -0.471 0.000 1.050 372 K CB 0.228 32.513 32.500 -0.358 0.000 0.889 372 K HN 0.906 nan 8.250 nan 0.000 0.484 373 G N 2.662 111.122 108.800 -0.568 0.000 2.199 373 G HA2 -0.277 3.669 3.960 -0.022 0.000 0.254 373 G HA3 -0.277 3.669 3.960 -0.022 0.000 0.254 373 G C -0.399 174.352 174.900 -0.248 0.000 0.982 373 G CA 0.245 45.157 45.100 -0.312 0.000 0.632 373 G HN 0.532 nan 8.290 nan 0.000 0.529 374 L N 0.885 121.813 121.223 -0.492 0.000 2.282 374 L HA 0.873 5.200 4.340 -0.022 0.000 0.288 374 L C -0.709 175.827 176.870 -0.557 0.000 1.033 374 L CA -1.092 53.548 54.840 -0.334 0.000 0.807 374 L CB 0.639 42.540 42.059 -0.262 0.000 1.209 374 L HN 0.015 nan 8.230 nan 0.000 0.423 375 F N 3.715 123.599 119.950 -0.110 0.000 2.577 375 F HA 0.853 5.364 4.527 -0.027 0.000 0.318 375 F C 0.167 175.906 175.800 -0.103 0.000 1.065 375 F CA -0.468 57.472 58.000 -0.099 0.000 0.929 375 F CB 2.076 41.031 39.000 -0.076 0.000 1.237 375 F HN 0.603 nan 8.300 nan 0.000 0.468 376 A N 1.470 124.333 122.820 0.071 0.000 2.386 376 A HA 0.883 5.190 4.320 -0.022 0.000 0.311 376 A C -1.729 175.854 177.584 -0.001 0.000 1.068 376 A CA -0.869 51.166 52.037 -0.004 0.000 0.743 376 A CB 1.938 20.894 19.000 -0.074 0.000 1.258 376 A HN 0.739 nan 8.150 nan 0.000 0.429 377 V N 1.307 121.215 119.914 -0.011 0.000 3.048 377 V HA 0.771 4.878 4.120 -0.022 0.000 0.303 377 V C 0.436 176.534 176.094 0.007 0.000 1.214 377 V CA 1.210 63.510 62.300 -0.000 0.000 0.984 377 V CB 1.625 33.481 31.823 0.055 0.000 1.054 377 V HN 2.854 nan 8.190 nan 0.000 0.430 378 G N 4.328 113.143 108.800 0.025 0.000 2.499 378 G HA2 -0.226 3.721 3.960 -0.022 0.000 0.232 378 G HA3 -0.226 3.721 3.960 -0.022 0.000 0.232 378 G C 0.611 175.550 174.900 0.066 0.000 1.251 378 G CA 0.749 45.895 45.100 0.076 0.000 0.917 378 G HN 1.139 nan 8.290 nan 0.000 0.580 379 E N -0.391 119.859 120.200 0.083 0.000 2.204 379 E HA -0.130 4.207 4.350 -0.022 0.000 0.194 379 E C 2.654 179.194 176.600 -0.100 0.000 0.989 379 E CA 2.082 58.492 56.400 0.018 0.000 0.824 379 E CB -0.355 29.343 29.700 -0.004 0.000 0.756 379 E HN 0.913 nan 8.360 nan 0.000 0.477 380 C N 0.537 119.789 119.300 -0.079 0.000 2.472 380 C HA 0.137 4.584 4.460 -0.022 0.000 0.278 380 C C 1.593 176.518 174.990 -0.108 0.000 1.447 380 C CA -0.102 58.852 59.018 -0.106 0.000 1.773 380 C CB -1.308 26.371 27.740 -0.102 0.000 1.793 380 C HN 0.271 nan 8.230 nan 0.000 0.544 381 S N 0.366 116.008 115.700 -0.096 0.000 2.758 381 S HA 0.617 5.074 4.470 -0.022 0.000 0.292 381 S C -0.355 174.162 174.600 -0.138 0.000 1.131 381 S CA 0.138 58.265 58.200 -0.122 0.000 0.997 381 S CB 1.398 64.520 63.200 -0.131 0.000 1.111 381 S HN 0.703 nan 8.310 nan 0.000 0.552 382 S N 0.534 116.127 115.700 -0.179 0.000 2.746 382 S HA 0.358 4.815 4.470 -0.022 0.000 0.273 382 S C 0.244 174.674 174.600 -0.283 0.000 1.172 382 S CA -0.381 57.694 58.200 -0.208 0.000 1.116 382 S CB 0.269 63.364 63.200 -0.175 0.000 1.057 382 S HN 1.273 nan 8.310 nan 0.000 0.483 383 V N 2.116 121.797 119.914 -0.389 0.000 3.541 383 V HA 0.493 4.600 4.120 -0.022 0.000 0.267 383 V C 1.576 177.453 176.094 -0.361 0.000 1.213 383 V CA 0.663 62.692 62.300 -0.451 0.000 1.149 383 V CB -0.729 30.605 31.823 -0.814 0.000 0.822 383 V HN 1.440 nan 8.190 nan 0.000 0.462 384 G N 0.385 108.983 108.800 -0.337 0.000 2.144 384 G HA2 -0.240 3.707 3.960 -0.022 0.000 0.218 384 G HA3 -0.240 3.707 3.960 -0.022 0.000 0.218 384 G C 0.309 175.058 174.900 -0.252 0.000 0.988 384 G CA 0.374 45.328 45.100 -0.243 0.000 0.659 384 G HN 0.510 nan 8.290 nan 0.000 0.522 385 L N 0.446 121.406 121.223 -0.439 0.000 2.007 385 L HA 0.235 4.562 4.340 -0.022 0.000 0.205 385 L C 2.397 178.990 176.870 -0.462 0.000 1.073 385 L CA 2.634 57.142 54.840 -0.553 0.000 0.744 385 L CB -0.537 40.966 42.059 -0.926 0.000 0.898 385 L HN 0.349 nan 8.230 nan 0.000 0.435 386 H N -0.214 118.746 119.070 -0.184 0.000 2.535 386 H HA 0.294 4.837 4.556 -0.022 0.000 0.273 386 H C 1.561 176.799 175.328 -0.149 0.000 0.983 386 H CA 0.475 56.434 56.048 -0.150 0.000 1.238 386 H CB -0.533 29.188 29.762 -0.069 0.000 1.412 386 H HN 0.464 nan 8.280 nan 0.000 0.562 387 G N 1.032 109.798 108.800 -0.056 0.000 2.611 387 G HA2 -0.395 3.552 3.960 -0.022 0.000 0.301 387 G HA3 -0.395 3.552 3.960 -0.022 0.000 0.301 387 G C 1.361 176.086 174.900 -0.291 0.000 1.233 387 G CA 1.543 46.574 45.100 -0.116 0.000 0.993 387 G HN 0.599 nan 8.290 nan 0.000 0.553 388 A N -0.351 122.186 122.820 -0.471 0.000 2.169 388 A HA 0.436 4.743 4.320 -0.022 0.000 0.212 388 A C 0.983 178.350 177.584 -0.361 0.000 1.153 388 A CA 1.677 53.169 52.037 -0.908 0.000 0.756 388 A CB -0.084 18.446 19.000 -0.782 0.000 0.813 388 A HN 0.899 nan 8.150 nan 0.000 0.471 389 N N -0.591 118.014 118.700 -0.158 0.000 2.600 389 N HA 0.139 4.865 4.740 -0.022 0.000 0.272 389 N C -1.300 174.190 175.510 -0.035 0.000 1.095 389 N CA -0.398 52.627 53.050 -0.041 0.000 0.993 389 N CB 1.443 39.915 38.487 -0.024 0.000 1.603 389 N HN 0.383 nan 8.380 nan 0.000 0.526 390 R N 2.427 122.899 120.500 -0.047 0.000 2.491 390 R HA 0.243 4.570 4.340 -0.022 0.000 0.283 390 R C -0.415 175.806 176.300 -0.131 0.000 1.072 390 R CA -0.379 55.607 56.100 -0.190 0.000 1.048 390 R CB 0.539 30.480 30.300 -0.599 0.000 0.983 390 R HN 0.378 nan 8.270 nan 0.000 0.450 391 L N 3.448 124.627 121.223 -0.073 0.000 2.380 391 L HA 0.221 4.548 4.340 -0.022 0.000 0.273 391 L C 0.571 177.435 176.870 -0.010 0.000 1.138 391 L CA 0.727 55.567 54.840 -0.000 0.000 0.832 391 L CB 1.151 43.257 42.059 0.079 0.000 1.124 391 L HN 0.805 nan 8.230 nan 0.000 0.454 392 G N 2.568 111.393 108.800 0.041 0.000 2.313 392 G HA2 0.368 4.314 3.960 -0.022 0.000 0.250 392 G HA3 0.368 4.314 3.960 -0.022 0.000 0.250 392 G C 0.659 175.601 174.900 0.069 0.000 1.281 392 G CA 0.498 45.636 45.100 0.062 0.000 0.917 392 G HN 1.472 nan 8.290 nan 0.000 0.501 393 S N 0.909 116.600 115.700 -0.015 0.000 2.488 393 S HA -0.250 4.207 4.470 -0.022 0.000 0.258 393 S C 1.301 175.967 174.600 0.109 0.000 1.281 393 S CA 0.981 59.182 58.200 0.002 0.000 1.334 393 S CB -1.661 61.535 63.200 -0.008 0.000 1.647 393 S HN 0.586 nan 8.310 nan 0.000 0.635 394 N N 1.665 120.445 118.700 0.132 0.000 2.457 394 N HA 0.135 4.861 4.740 -0.022 0.000 0.180 394 N C 1.690 177.321 175.510 0.201 0.000 1.050 394 N CA 1.270 54.493 53.050 0.289 0.000 0.906 394 N CB -0.289 38.361 38.487 0.271 0.000 0.968 394 N HN 0.746 nan 8.380 nan 0.000 0.445 395 S N 0.460 116.139 115.700 -0.035 0.000 2.335 395 S HA 0.039 4.495 4.470 -0.022 0.000 0.217 395 S C 1.929 176.590 174.600 0.101 0.000 1.032 395 S CA 0.574 58.733 58.200 -0.068 0.000 0.985 395 S CB -0.341 62.609 63.200 -0.417 0.000 0.896 395 S HN 0.213 nan 8.310 nan 0.000 0.445 396 L N 1.487 122.760 121.223 0.084 0.000 2.013 396 L HA -0.139 4.188 4.340 -0.022 0.000 0.212 396 L C 3.068 180.052 176.870 0.190 0.000 1.073 396 L CA 1.370 56.289 54.840 0.132 0.000 0.753 396 L CB -0.865 41.267 42.059 0.122 0.000 0.890 396 L HN 0.494 nan 8.230 nan 0.000 0.432 397 A N -0.449 122.505 122.820 0.224 0.000 1.892 397 A HA -0.309 3.998 4.320 -0.022 0.000 0.218 397 A C 2.300 180.136 177.584 0.420 0.000 1.188 397 A CA 2.161 54.364 52.037 0.276 0.000 0.631 397 A CB -0.647 18.565 19.000 0.353 0.000 0.822 397 A HN 0.499 nan 8.150 nan 0.000 0.447 398 E N -0.128 120.371 120.200 0.498 0.000 2.085 398 E HA -0.187 4.149 4.350 -0.022 0.000 0.194 398 E C 1.996 178.836 176.600 0.401 0.000 0.994 398 E CA 1.265 57.972 56.400 0.512 0.000 0.801 398 E CB -0.242 29.642 29.700 0.307 0.000 0.743 398 E HN 0.688 nan 8.360 nan 0.000 0.453 399 L N 0.533 121.921 121.223 0.275 0.000 1.956 399 L HA -0.239 4.088 4.340 -0.022 0.000 0.216 399 L C 2.867 179.856 176.870 0.199 0.000 1.073 399 L CA 1.825 56.792 54.840 0.213 0.000 0.762 399 L CB -1.320 40.838 42.059 0.164 0.000 0.889 399 L HN 0.167 nan 8.230 nan 0.000 0.433 400 V N -3.089 116.931 119.914 0.176 0.000 2.343 400 V HA -0.175 3.931 4.120 -0.022 0.000 0.247 400 V C 2.319 178.472 176.094 0.097 0.000 1.051 400 V CA 1.597 63.978 62.300 0.136 0.000 1.036 400 V CB -0.824 31.065 31.823 0.109 0.000 0.654 400 V HN 0.220 nan 8.190 nan 0.000 0.451 401 V N -0.098 119.873 119.914 0.095 0.000 2.270 401 V HA -0.142 3.965 4.120 -0.022 0.000 0.245 401 V C 2.398 178.421 176.094 -0.119 0.000 1.043 401 V CA 2.622 64.891 62.300 -0.053 0.000 1.014 401 V CB -0.790 30.971 31.823 -0.103 0.000 0.645 401 V HN 0.509 nan 8.190 nan 0.000 0.447 402 F N 0.625 120.676 119.950 0.168 0.000 2.387 402 F HA 0.183 4.696 4.527 -0.023 0.000 0.294 402 F C 2.387 178.219 175.800 0.053 0.000 1.093 402 F CA 0.883 58.947 58.000 0.106 0.000 1.420 402 F CB -1.009 38.036 39.000 0.075 0.000 1.086 402 F HN 0.184 nan 8.300 nan 0.000 0.531 403 G N 0.679 109.613 108.800 0.223 0.000 2.599 403 G HA2 -0.373 3.574 3.960 -0.022 0.000 0.219 403 G HA3 -0.373 3.574 3.960 -0.022 0.000 0.219 403 G C 1.762 176.703 174.900 0.070 0.000 1.193 403 G CA 1.306 46.479 45.100 0.122 0.000 0.778 403 G HN 0.261 nan 8.290 nan 0.000 0.589 404 R N -0.283 120.258 120.500 0.069 0.000 2.080 404 R HA -0.074 4.253 4.340 -0.022 0.000 0.236 404 R C 2.566 178.871 176.300 0.008 0.000 1.137 404 R CA 1.722 57.844 56.100 0.037 0.000 0.943 404 R CB -0.528 29.797 30.300 0.041 0.000 0.846 404 R HN 0.344 nan 8.270 nan 0.000 0.431 405 L N 0.871 122.109 121.223 0.025 0.000 2.042 405 L HA -0.139 4.188 4.340 -0.022 0.000 0.210 405 L C 2.326 179.175 176.870 -0.037 0.000 1.076 405 L CA 2.219 57.064 54.840 0.009 0.000 0.749 405 L CB -0.708 41.371 42.059 0.033 0.000 0.893 405 L HN 0.335 nan 8.230 nan 0.000 0.432 406 A N -0.720 122.085 122.820 -0.026 0.000 1.855 406 A HA -0.056 4.251 4.320 -0.022 0.000 0.215 406 A C 2.390 179.796 177.584 -0.297 0.000 1.191 406 A CA 1.532 53.467 52.037 -0.170 0.000 0.613 406 A CB -1.657 17.296 19.000 -0.080 0.000 0.829 406 A HN 0.502 nan 8.150 nan 0.000 0.442 407 G N -0.540 108.157 108.800 -0.172 0.000 2.505 407 G HA2 -0.293 3.654 3.960 -0.022 0.000 0.220 407 G HA3 -0.293 3.654 3.960 -0.022 0.000 0.220 407 G C 1.463 176.257 174.900 -0.177 0.000 1.145 407 G CA 1.273 46.271 45.100 -0.169 0.000 0.761 407 G HN 0.669 nan 8.290 nan 0.000 0.571 408 E N -0.524 119.594 120.200 -0.136 0.000 2.072 408 E HA -0.076 4.261 4.350 -0.022 0.000 0.190 408 E C 2.817 179.338 176.600 -0.131 0.000 0.982 408 E CA 0.675 57.012 56.400 -0.104 0.000 0.803 408 E CB -0.011 29.657 29.700 -0.054 0.000 0.755 408 E HN 0.275 nan 8.360 nan 0.000 0.453 409 Q N 0.029 119.715 119.800 -0.190 0.000 2.079 409 Q HA -0.064 4.263 4.340 -0.022 0.000 0.200 409 Q C 2.161 177.989 176.000 -0.287 0.000 0.974 409 Q CA 1.309 57.006 55.803 -0.177 0.000 0.840 409 Q CB -0.336 28.337 28.738 -0.109 0.000 0.898 409 Q HN 0.233 nan 8.270 nan 0.000 0.430 410 A N 0.431 122.845 122.820 -0.677 0.000 2.019 410 A HA -0.134 4.172 4.320 -0.022 0.000 0.219 410 A C 2.258 179.734 177.584 -0.179 0.000 1.164 410 A CA 1.819 53.489 52.037 -0.610 0.000 0.644 410 A CB -0.658 17.896 19.000 -0.743 0.000 0.805 410 A HN 0.395 nan 8.150 nan 0.000 0.449 411 T N 0.102 114.564 114.554 -0.153 0.000 2.788 411 T HA -0.144 4.192 4.350 -0.022 0.000 0.268 411 T C 1.690 176.377 174.700 -0.022 0.000 1.044 411 T CA 1.680 63.738 62.100 -0.071 0.000 1.139 411 T CB -0.211 68.616 68.868 -0.068 0.000 0.867 411 T HN 0.688 nan 8.240 nan 0.000 0.454 412 E N 0.436 120.628 120.200 -0.013 0.000 2.072 412 E HA -0.034 4.303 4.350 -0.022 0.000 0.190 412 E C 2.599 179.235 176.600 0.060 0.000 0.982 412 E CA 0.451 56.865 56.400 0.023 0.000 0.803 412 E CB 0.038 29.753 29.700 0.025 0.000 0.755 412 E HN 0.128 nan 8.360 nan 0.000 0.453 413 R N 0.626 121.188 120.500 0.102 0.000 2.092 413 R HA -0.007 4.319 4.340 -0.022 0.000 0.231 413 R C 2.089 178.475 176.300 0.143 0.000 1.119 413 R CA 1.131 57.326 56.100 0.158 0.000 0.970 413 R CB -0.947 29.509 30.300 0.261 0.000 0.864 413 R HN 0.156 nan 8.270 nan 0.000 0.440 414 A N 0.824 123.707 122.820 0.104 0.000 1.969 414 A HA 0.014 4.321 4.320 -0.022 0.000 0.218 414 A C 2.252 179.867 177.584 0.052 0.000 1.169 414 A CA 1.606 53.690 52.037 0.079 0.000 0.635 414 A CB -0.403 18.625 19.000 0.046 0.000 0.810 414 A HN 0.309 nan 8.150 nan 0.000 0.445 415 A N -1.346 121.500 122.820 0.043 0.000 1.970 415 A HA 0.049 4.355 4.320 -0.022 0.000 0.216 415 A C 2.060 179.662 177.584 0.030 0.000 1.170 415 A CA 1.864 53.919 52.037 0.029 0.000 0.645 415 A CB -0.590 18.423 19.000 0.022 0.000 0.816 415 A HN 0.376 nan 8.150 nan 0.000 0.447 416 T N -0.339 114.242 114.554 0.046 0.000 3.060 416 T HA 0.351 4.688 4.350 -0.022 0.000 0.249 416 T C 2.005 176.727 174.700 0.036 0.000 1.079 416 T CA 0.570 62.695 62.100 0.042 0.000 1.013 416 T CB 0.024 68.924 68.868 0.054 0.000 0.975 416 T HN 0.534 nan 8.240 nan 0.000 0.518 417 A N 1.782 124.625 122.820 0.039 0.000 1.873 417 A HA 0.230 4.536 4.320 -0.022 0.000 0.219 417 A C 1.714 179.247 177.584 -0.086 0.000 1.269 417 A CA 1.790 53.815 52.037 -0.020 0.000 0.671 417 A CB -1.479 17.501 19.000 -0.033 0.000 0.842 417 A HN 1.110 nan 8.150 nan 0.000 0.460 418 G N -2.146 106.618 108.800 -0.061 0.000 2.860 418 G HA2 -0.099 3.848 3.960 -0.022 0.000 0.553 418 G HA3 -0.099 3.848 3.960 -0.022 0.000 0.553 418 G C -0.559 174.279 174.900 -0.104 0.000 1.439 418 G CA -0.071 44.989 45.100 -0.067 0.000 0.879 418 G HN 0.859 nan 8.290 nan 0.000 0.545 419 N N 0.110 118.761 118.700 -0.080 0.000 2.492 419 N HA 0.676 5.402 4.740 -0.022 0.000 0.289 419 N C 0.805 176.262 175.510 -0.087 0.000 1.133 419 N CA 0.356 53.359 53.050 -0.079 0.000 0.961 419 N CB 1.565 40.025 38.487 -0.045 0.000 1.186 419 N HN 1.043 nan 8.380 nan 0.000 0.493 420 G N -0.482 108.271 108.800 -0.080 0.000 2.568 420 G HA2 0.136 4.082 3.960 -0.022 0.000 0.293 420 G HA3 0.136 4.082 3.960 -0.022 0.000 0.293 420 G C -0.348 174.535 174.900 -0.029 0.000 1.347 420 G CA -0.613 44.453 45.100 -0.057 0.000 1.039 420 G HN 0.637 nan 8.290 nan 0.000 0.523 421 N N 0.086 118.776 118.700 -0.016 0.000 2.469 421 N HA 0.035 4.762 4.740 -0.022 0.000 0.239 421 N C 0.664 176.173 175.510 -0.002 0.000 1.053 421 N CA -0.235 52.810 53.050 -0.008 0.000 0.937 421 N CB 0.951 39.436 38.487 -0.003 0.000 1.163 421 N HN 0.556 nan 8.380 nan 0.000 0.509 422 E N 3.075 123.273 120.200 -0.002 0.000 2.267 422 E HA -0.185 4.152 4.350 -0.022 0.000 0.197 422 E C 1.409 178.012 176.600 0.006 0.000 0.998 422 E CA 0.746 57.148 56.400 0.002 0.000 0.830 422 E CB 0.186 29.887 29.700 0.001 0.000 0.751 422 E HN 0.789 nan 8.360 nan 0.000 0.491 423 A N 1.164 123.987 122.820 0.004 0.000 1.841 423 A HA -0.056 4.250 4.320 -0.022 0.000 0.214 423 A C 2.388 179.978 177.584 0.009 0.000 1.195 423 A CA 1.715 53.756 52.037 0.006 0.000 0.611 423 A CB -0.656 18.346 19.000 0.004 0.000 0.835 423 A HN 0.311 nan 8.150 nan 0.000 0.443 424 A N -0.420 122.406 122.820 0.010 0.000 2.015 424 A HA -0.011 4.295 4.320 -0.022 0.000 0.219 424 A C 2.085 179.681 177.584 0.020 0.000 1.163 424 A CA 1.408 53.453 52.037 0.014 0.000 0.646 424 A CB -0.594 18.414 19.000 0.013 0.000 0.806 424 A HN 0.510 nan 8.150 nan 0.000 0.448 425 I N -0.943 119.639 120.570 0.019 0.000 2.163 425 I HA -0.200 3.956 4.170 -0.022 0.000 0.240 425 I C 2.484 178.616 176.117 0.025 0.000 1.081 425 I CA 1.712 63.026 61.300 0.024 0.000 1.353 425 I CB -0.262 37.750 38.000 0.019 0.000 1.054 425 I HN 0.342 nan 8.210 nan 0.000 0.407 426 E N 1.294 121.506 120.200 0.020 0.000 2.265 426 E HA -0.180 4.157 4.350 -0.022 0.000 0.196 426 E C 1.998 178.611 176.600 0.020 0.000 0.996 426 E CA 1.317 57.729 56.400 0.020 0.000 0.832 426 E CB -0.045 29.664 29.700 0.016 0.000 0.756 426 E HN 0.446 nan 8.360 nan 0.000 0.491 427 A N 0.203 123.034 122.820 0.019 0.000 1.929 427 A HA -0.156 4.150 4.320 -0.022 0.000 0.216 427 A C 2.095 179.692 177.584 0.022 0.000 1.176 427 A CA 1.163 53.210 52.037 0.017 0.000 0.628 427 A CB -0.391 18.617 19.000 0.014 0.000 0.816 427 A HN 0.212 nan 8.150 nan 0.000 0.444 428 Q N -0.403 119.414 119.800 0.030 0.000 2.096 428 Q HA -0.197 4.129 4.340 -0.022 0.000 0.204 428 Q C 2.421 178.447 176.000 0.043 0.000 0.982 428 Q CA 1.713 57.541 55.803 0.042 0.000 0.850 428 Q CB -0.486 28.286 28.738 0.057 0.000 0.901 428 Q HN 0.672 nan 8.270 nan 0.000 0.422 429 A N 0.857 123.700 122.820 0.038 0.000 1.897 429 A HA -0.017 4.289 4.320 -0.022 0.000 0.215 429 A C 2.354 179.956 177.584 0.030 0.000 1.181 429 A CA 1.591 53.650 52.037 0.037 0.000 0.620 429 A CB -0.654 18.367 19.000 0.036 0.000 0.821 429 A HN 0.370 nan 8.150 nan 0.000 0.443 430 A N -0.187 122.648 122.820 0.025 0.000 1.917 430 A HA 0.030 4.336 4.320 -0.022 0.000 0.219 430 A C 2.439 180.033 177.584 0.017 0.000 1.182 430 A CA 2.188 54.236 52.037 0.018 0.000 0.633 430 A CB -1.558 17.450 19.000 0.014 0.000 0.819 430 A HN 0.780 nan 8.150 nan 0.000 0.448 431 G N -0.307 108.505 108.800 0.019 0.000 2.553 431 G HA2 -0.234 3.713 3.960 -0.022 0.000 0.218 431 G HA3 -0.234 3.713 3.960 -0.022 0.000 0.218 431 G C 1.556 176.468 174.900 0.021 0.000 1.195 431 G CA 1.730 46.840 45.100 0.017 0.000 0.779 431 G HN 0.374 nan 8.290 nan 0.000 0.577 432 V N 0.910 120.844 119.914 0.033 0.000 2.220 432 V HA -0.291 3.816 4.120 -0.022 0.000 0.250 432 V C 2.579 178.688 176.094 0.025 0.000 1.056 432 V CA 2.636 64.959 62.300 0.039 0.000 1.016 432 V CB -0.818 31.036 31.823 0.052 0.000 0.639 432 V HN 0.619 nan 8.190 nan 0.000 0.446 433 E N -0.512 119.702 120.200 0.022 0.000 2.136 433 E HA -0.378 3.959 4.350 -0.022 0.000 0.202 433 E C 2.228 178.831 176.600 0.004 0.000 1.019 433 E CA 2.151 58.558 56.400 0.013 0.000 0.819 433 E CB -0.141 29.567 29.700 0.014 0.000 0.739 433 E HN 0.600 nan 8.360 nan 0.000 0.458 434 Q N 0.585 120.388 119.800 0.005 0.000 2.046 434 Q HA -0.084 4.243 4.340 -0.022 0.000 0.200 434 Q C 2.002 178.000 176.000 -0.003 0.000 0.975 434 Q CA 1.632 57.435 55.803 -0.000 0.000 0.836 434 Q CB -0.075 28.664 28.738 0.001 0.000 0.896 434 Q HN 0.181 nan 8.270 nan 0.000 0.428 435 R N -0.482 120.019 120.500 0.002 0.000 2.127 435 R HA -0.150 4.177 4.340 -0.022 0.000 0.238 435 R C 2.166 178.462 176.300 -0.006 0.000 1.134 435 R CA 1.263 57.363 56.100 0.001 0.000 0.975 435 R CB -0.419 29.886 30.300 0.008 0.000 0.865 435 R HN 0.285 nan 8.270 nan 0.000 0.447 436 L N 1.422 122.641 121.223 -0.008 0.000 1.988 436 L HA -0.148 4.179 4.340 -0.022 0.000 0.207 436 L C 1.771 178.621 176.870 -0.034 0.000 1.071 436 L CA 1.833 56.660 54.840 -0.023 0.000 0.744 436 L CB -0.262 41.784 42.059 -0.021 0.000 0.893 436 L HN -0.071 nan 8.230 nan 0.000 0.433 437 K N -0.366 120.018 120.400 -0.027 0.000 2.160 437 K HA -0.224 4.082 4.320 -0.022 0.000 0.206 437 K C 1.706 178.286 176.600 -0.032 0.000 1.047 437 K CA 1.665 57.934 56.287 -0.030 0.000 0.930 437 K CB -0.364 32.123 32.500 -0.021 0.000 0.720 437 K HN 0.421 nan 8.250 nan 0.000 0.450 438 D N 0.834 121.218 120.400 -0.027 0.000 2.117 438 D HA -0.149 4.477 4.640 -0.022 0.000 0.197 438 D C 1.731 178.006 176.300 -0.041 0.000 0.987 438 D CA 0.764 54.748 54.000 -0.027 0.000 0.829 438 D CB -0.083 40.708 40.800 -0.016 0.000 0.961 438 D HN 0.023 nan 8.370 nan 0.000 0.460 439 L N -0.053 121.142 121.223 -0.047 0.000 2.109 439 L HA -0.051 4.276 4.340 -0.022 0.000 0.207 439 L C 2.061 178.874 176.870 -0.094 0.000 1.086 439 L CA 0.923 55.718 54.840 -0.074 0.000 0.760 439 L CB -0.130 41.889 42.059 -0.067 0.000 0.910 439 L HN -0.117 nan 8.230 nan 0.000 0.437 440 V N 0.411 120.277 119.914 -0.080 0.000 2.261 440 V HA -0.291 3.815 4.120 -0.022 0.000 0.246 440 V C 2.178 178.228 176.094 -0.072 0.000 1.047 440 V CA 2.076 64.327 62.300 -0.082 0.000 1.015 440 V CB -0.786 30.995 31.823 -0.070 0.000 0.642 440 V HN 0.526 nan 8.190 nan 0.000 0.446 441 N N -0.149 118.516 118.700 -0.058 0.000 2.459 441 N HA -0.083 4.644 4.740 -0.022 0.000 0.181 441 N C 1.130 176.609 175.510 -0.053 0.000 1.046 441 N CA 0.307 53.327 53.050 -0.049 0.000 0.904 441 N CB -0.402 38.062 38.487 -0.037 0.000 0.964 441 N HN 0.676 nan 8.380 nan 0.000 0.444 442 Q N 1.435 121.196 119.800 -0.065 0.000 2.269 442 Q HA -0.057 4.270 4.340 -0.022 0.000 0.300 442 Q C -0.907 175.049 176.000 -0.072 0.000 1.070 442 Q CA 0.604 56.364 55.803 -0.071 0.000 0.957 442 Q CB 0.397 29.076 28.738 -0.097 0.000 1.131 442 Q HN 0.102 nan 8.270 nan 0.000 0.377 443 D N 1.928 122.294 120.400 -0.057 0.000 2.340 443 D HA 0.589 5.215 4.640 -0.022 0.000 0.243 443 D C 0.305 176.576 176.300 -0.048 0.000 0.988 443 D CA 0.402 54.373 54.000 -0.049 0.000 0.959 443 D CB 1.923 42.702 40.800 -0.036 0.000 1.226 443 D HN 0.793 nan 8.370 nan 0.000 0.509 444 G N -0.912 107.864 108.800 -0.040 0.000 3.617 444 G HA2 0.072 4.019 3.960 -0.022 0.000 0.217 444 G HA3 0.072 4.019 3.960 -0.022 0.000 0.217 444 G C 0.750 175.633 174.900 -0.027 0.000 0.967 444 G CA 0.581 45.660 45.100 -0.034 0.000 0.878 444 G HN 1.024 nan 8.290 nan 0.000 0.439 445 G N 0.246 109.029 108.800 -0.029 0.000 2.246 445 G HA2 -0.092 3.854 3.960 -0.022 0.000 0.273 445 G HA3 -0.092 3.854 3.960 -0.022 0.000 0.273 445 G C -0.109 174.784 174.900 -0.013 0.000 1.055 445 G CA 1.079 46.168 45.100 -0.017 0.000 0.851 445 G HN 0.939 nan 8.290 nan 0.000 0.500 446 E N -0.236 119.954 120.200 -0.017 0.000 2.249 446 E HA 0.496 4.833 4.350 -0.022 0.000 0.280 446 E C 0.303 176.909 176.600 0.010 0.000 1.016 446 E CA -0.875 55.520 56.400 -0.008 0.000 0.830 446 E CB 0.527 30.219 29.700 -0.013 0.000 1.081 446 E HN 0.255 nan 8.360 nan 0.000 0.395 447 N N 4.669 123.373 118.700 0.006 0.000 2.408 447 N HA 0.018 4.745 4.740 -0.022 0.000 0.257 447 N C 0.788 176.305 175.510 0.012 0.000 1.064 447 N CA -0.446 52.611 53.050 0.013 0.000 0.952 447 N CB 0.332 38.793 38.487 -0.043 0.000 1.093 447 N HN 0.694 nan 8.380 nan 0.000 0.490 448 W N 4.196 125.486 121.300 -0.016 0.000 2.321 448 W HA -0.216 4.432 4.660 -0.021 0.000 0.306 448 W C 0.786 177.332 176.519 0.045 0.000 1.217 448 W CA 1.345 58.700 57.345 0.016 0.000 1.257 448 W CB -1.160 28.311 29.460 0.018 0.000 1.145 448 W HN 0.558 nan 8.180 nan 0.000 0.509 449 A N 1.506 123.570 122.820 -1.259 0.000 2.125 449 A HA -0.144 4.163 4.320 -0.022 0.000 0.219 449 A C 2.055 179.309 177.584 -0.550 0.000 1.156 449 A CA 1.575 52.821 52.037 -1.318 0.000 0.671 449 A CB -0.434 17.895 19.000 -1.118 0.000 0.794 449 A HN 0.176 nan 8.150 nan 0.000 0.459 450 K N -0.294 119.915 120.400 -0.319 0.000 2.166 450 K HA 0.197 4.504 4.320 -0.022 0.000 0.201 450 K C 1.723 178.257 176.600 -0.109 0.000 1.052 450 K CA 0.722 56.904 56.287 -0.175 0.000 0.969 450 K CB -0.481 31.951 32.500 -0.114 0.000 0.761 450 K HN 0.565 nan 8.250 nan 0.000 0.459 451 I N 1.065 121.601 120.570 -0.056 0.000 2.226 451 I HA -0.268 3.889 4.170 -0.022 0.000 0.245 451 I C 2.787 178.900 176.117 -0.007 0.000 1.100 451 I CA 1.114 62.424 61.300 0.016 0.000 1.374 451 I CB -0.259 37.818 38.000 0.129 0.000 1.057 451 I HN 0.165 nan 8.210 nan 0.000 0.413 452 R N 1.265 121.744 120.500 -0.036 0.000 2.113 452 R HA -0.243 4.084 4.340 -0.022 0.000 0.231 452 R C 1.986 178.216 176.300 -0.116 0.000 1.129 452 R CA 2.475 58.535 56.100 -0.067 0.000 0.915 452 R CB -0.428 29.769 30.300 -0.172 0.000 0.837 452 R HN 0.249 nan 8.270 nan 0.000 0.430 453 D N 0.199 120.497 120.400 -0.170 0.000 2.220 453 D HA -0.197 4.430 4.640 -0.022 0.000 0.198 453 D C 1.706 177.932 176.300 -0.123 0.000 1.001 453 D CA 1.554 55.462 54.000 -0.153 0.000 0.875 453 D CB -0.100 40.608 40.800 -0.153 0.000 0.921 453 D HN 0.513 nan 8.370 nan 0.000 0.454 454 E N -0.630 119.511 120.200 -0.098 0.000 2.190 454 E HA 0.006 4.343 4.350 -0.022 0.000 0.191 454 E C 2.055 178.605 176.600 -0.084 0.000 0.978 454 E CA -0.072 56.281 56.400 -0.079 0.000 0.839 454 E CB 0.033 29.699 29.700 -0.055 0.000 0.787 454 E HN 0.253 nan 8.360 nan 0.000 0.473 455 M N 0.689 120.239 119.600 -0.083 0.000 2.086 455 M HA -0.098 4.369 4.480 -0.022 0.000 0.261 455 M C 2.195 178.406 176.300 -0.149 0.000 1.067 455 M CA 2.150 57.389 55.300 -0.102 0.000 1.116 455 M CB -0.341 32.212 32.600 -0.079 0.000 1.348 455 M HN 0.121 nan 8.290 nan 0.000 0.407 456 G N 0.906 109.618 108.800 -0.147 0.000 2.469 456 G HA2 -0.226 3.720 3.960 -0.022 0.000 0.219 456 G HA3 -0.226 3.720 3.960 -0.022 0.000 0.219 456 G C 1.463 176.250 174.900 -0.189 0.000 1.150 456 G CA 1.097 46.089 45.100 -0.179 0.000 0.763 456 G HN 0.484 nan 8.290 nan 0.000 0.561 457 L N 0.359 121.489 121.223 -0.155 0.000 2.056 457 L HA -0.009 4.318 4.340 -0.022 0.000 0.207 457 L C 3.411 180.223 176.870 -0.097 0.000 1.078 457 L CA 0.983 55.752 54.840 -0.119 0.000 0.749 457 L CB -0.352 41.654 42.059 -0.089 0.000 0.901 457 L HN 0.324 nan 8.230 nan 0.000 0.433 458 A N -0.748 122.006 122.820 -0.110 0.000 1.933 458 A HA -0.211 4.096 4.320 -0.022 0.000 0.218 458 A C 2.243 179.741 177.584 -0.145 0.000 1.175 458 A CA 1.356 53.331 52.037 -0.103 0.000 0.628 458 A CB -0.323 18.616 19.000 -0.101 0.000 0.814 458 A HN 0.255 nan 8.150 nan 0.000 0.444 459 M N -0.253 119.197 119.600 -0.251 0.000 2.117 459 M HA -0.083 4.384 4.480 -0.022 0.000 0.262 459 M C 1.964 178.080 176.300 -0.306 0.000 1.065 459 M CA 1.296 56.316 55.300 -0.466 0.000 1.114 459 M CB -1.303 30.760 32.600 -0.895 0.000 1.361 459 M HN 0.390 nan 8.290 nan 0.000 0.408 460 E N -0.165 119.968 120.200 -0.111 0.000 2.047 460 E HA -0.186 4.151 4.350 -0.022 0.000 0.191 460 E C 1.976 178.652 176.600 0.127 0.000 0.987 460 E CA 1.023 57.516 56.400 0.155 0.000 0.799 460 E CB -0.278 29.507 29.700 0.142 0.000 0.752 460 E HN 0.571 nan 8.360 nan 0.000 0.449 461 E N -0.331 119.898 120.200 0.048 0.000 2.152 461 E HA -0.077 4.260 4.350 -0.022 0.000 0.192 461 E C 1.834 178.465 176.600 0.052 0.000 0.983 461 E CA 0.900 57.332 56.400 0.054 0.000 0.818 461 E CB 0.113 29.831 29.700 0.030 0.000 0.758 461 E HN 0.226 nan 8.360 nan 0.000 0.467 462 G N -0.321 108.491 108.800 0.020 0.000 2.559 462 G HA2 -0.078 3.868 3.960 -0.022 0.000 0.209 462 G HA3 -0.078 3.868 3.960 -0.022 0.000 0.209 462 G C 0.703 175.623 174.900 0.034 0.000 1.151 462 G CA 0.083 45.191 45.100 0.013 0.000 0.824 462 G HN 0.239 nan 8.290 nan 0.000 0.543 463 C N 2.515 121.848 119.300 0.055 0.000 2.328 463 C HA 0.687 5.134 4.460 -0.022 0.000 0.446 463 C C 1.281 176.429 174.990 0.263 0.000 1.090 463 C CA -1.006 58.095 59.018 0.138 0.000 1.510 463 C CB -0.746 27.083 27.740 0.149 0.000 1.543 463 C HN 0.408 nan 8.230 nan 0.000 0.533 464 G N 0.680 109.547 108.800 0.112 0.000 2.828 464 G HA2 0.557 4.504 3.960 -0.022 0.000 0.244 464 G HA3 0.557 4.504 3.960 -0.022 0.000 0.244 464 G C 0.788 175.525 174.900 -0.271 0.000 1.365 464 G CA -0.583 44.493 45.100 -0.038 0.000 1.041 464 G HN 0.390 nan 8.290 nan 0.000 0.560 465 I N -1.006 119.234 120.570 -0.550 0.000 2.163 465 I HA -0.055 4.102 4.170 -0.022 0.000 0.243 465 I C 0.410 176.133 176.117 -0.657 0.000 1.085 465 I CA 1.115 62.028 61.300 -0.645 0.000 1.347 465 I CB -0.279 37.300 38.000 -0.703 0.000 1.044 465 I HN 0.176 nan 8.210 nan 0.000 0.408 466 Y N 0.432 120.451 120.300 -0.468 0.000 2.409 466 Y HA 0.601 5.138 4.550 -0.022 0.000 0.339 466 Y C 0.041 175.760 175.900 -0.301 0.000 1.033 466 Y CA -0.938 56.867 58.100 -0.491 0.000 1.094 466 Y CB 1.293 39.209 38.460 -0.906 0.000 1.210 466 Y HN -0.123 nan 8.280 nan 0.000 0.456 467 R N 1.194 121.659 120.500 -0.060 0.000 2.574 467 R HA 0.513 4.839 4.340 -0.022 0.000 0.288 467 R C -1.255 175.013 176.300 -0.054 0.000 1.004 467 R CA -0.878 55.189 56.100 -0.054 0.000 0.895 467 R CB 2.134 32.389 30.300 -0.076 0.000 1.191 467 R HN 0.721 nan 8.270 nan 0.000 0.444 468 T N -0.971 113.574 114.554 -0.015 0.000 2.893 468 T HA 0.366 4.703 4.350 -0.022 0.000 0.291 468 T C -2.239 172.464 174.700 0.005 0.000 1.028 468 T CA -2.297 59.799 62.100 -0.008 0.000 0.995 468 T CB 2.387 71.264 68.868 0.015 0.000 1.051 468 T HN 0.112 nan 8.240 nan 0.000 0.470 469 P HA -0.175 nan 4.420 nan 0.000 0.216 469 P C 1.466 178.775 177.300 0.016 0.000 1.157 469 P CA 1.145 64.254 63.100 0.014 0.000 0.880 469 P CB 0.147 31.857 31.700 0.016 0.000 0.791 470 E N -0.578 119.634 120.200 0.020 0.000 2.097 470 E HA -0.207 4.130 4.350 -0.022 0.000 0.196 470 E C 1.842 178.454 176.600 0.021 0.000 1.000 470 E CA 1.238 57.652 56.400 0.023 0.000 0.804 470 E CB -0.436 29.282 29.700 0.031 0.000 0.740 470 E HN 0.198 nan 8.360 nan 0.000 0.454 471 L N -0.371 120.867 121.223 0.025 0.000 2.127 471 L HA -0.056 4.270 4.340 -0.022 0.000 0.203 471 L C 2.686 179.558 176.870 0.003 0.000 1.080 471 L CA 0.433 55.286 54.840 0.022 0.000 0.768 471 L CB -0.218 41.866 42.059 0.042 0.000 0.924 471 L HN 0.173 nan 8.230 nan 0.000 0.444 472 M N -0.631 118.970 119.600 0.001 0.000 2.149 472 M HA -0.273 4.194 4.480 -0.022 0.000 0.261 472 M C 2.351 178.628 176.300 -0.038 0.000 1.064 472 M CA 1.718 57.008 55.300 -0.017 0.000 1.102 472 M CB -0.269 32.331 32.600 0.000 0.000 1.369 472 M HN 0.212 nan 8.290 nan 0.000 0.408 473 Q N 0.903 120.692 119.800 -0.019 0.000 2.046 473 Q HA -0.185 4.142 4.340 -0.022 0.000 0.200 473 Q C 1.885 177.868 176.000 -0.029 0.000 0.975 473 Q CA 1.851 57.642 55.803 -0.021 0.000 0.836 473 Q CB -0.190 28.549 28.738 0.002 0.000 0.896 473 Q HN 0.402 nan 8.270 nan 0.000 0.428 474 K N -1.168 119.222 120.400 -0.017 0.000 2.147 474 K HA -0.128 4.178 4.320 -0.022 0.000 0.205 474 K C 1.639 178.219 176.600 -0.034 0.000 1.049 474 K CA 1.710 57.988 56.287 -0.016 0.000 0.936 474 K CB -0.099 32.400 32.500 -0.002 0.000 0.722 474 K HN 0.235 nan 8.250 nan 0.000 0.446 475 T N 1.366 115.890 114.554 -0.050 0.000 2.770 475 T HA -0.037 4.300 4.350 -0.022 0.000 0.263 475 T C 1.866 176.504 174.700 -0.102 0.000 1.039 475 T CA 1.315 63.370 62.100 -0.075 0.000 1.142 475 T CB -0.145 68.673 68.868 -0.084 0.000 0.868 475 T HN 0.156 nan 8.240 nan 0.000 0.435 476 I N 1.587 122.078 120.570 -0.132 0.000 2.118 476 I HA -0.246 3.910 4.170 -0.022 0.000 0.241 476 I C 2.417 178.470 176.117 -0.106 0.000 1.070 476 I CA 1.372 62.554 61.300 -0.197 0.000 1.327 476 I CB -0.392 37.449 38.000 -0.266 0.000 1.034 476 I HN 0.192 nan 8.210 nan 0.000 0.405 477 D N 0.733 121.097 120.400 -0.060 0.000 2.108 477 D HA -0.243 4.384 4.640 -0.022 0.000 0.190 477 D C 2.060 178.343 176.300 -0.028 0.000 0.995 477 D CA 1.388 55.371 54.000 -0.027 0.000 0.834 477 D CB -0.377 40.415 40.800 -0.014 0.000 0.967 477 D HN 0.073 nan 8.370 nan 0.000 0.446 478 K N 1.103 121.482 120.400 -0.035 0.000 2.059 478 K HA -0.139 4.168 4.320 -0.022 0.000 0.212 478 K C 2.291 178.870 176.600 -0.035 0.000 1.050 478 K CA 1.003 57.270 56.287 -0.033 0.000 0.927 478 K CB -0.840 31.635 32.500 -0.041 0.000 0.714 478 K HN 0.159 nan 8.250 nan 0.000 0.447 479 L N -0.397 120.793 121.223 -0.055 0.000 2.079 479 L HA -0.210 4.116 4.340 -0.022 0.000 0.210 479 L C 2.416 179.271 176.870 -0.025 0.000 1.081 479 L CA 1.391 56.199 54.840 -0.054 0.000 0.752 479 L CB -0.635 41.374 42.059 -0.083 0.000 0.896 479 L HN 0.308 nan 8.230 nan 0.000 0.433 480 A N 0.187 122.999 122.820 -0.014 0.000 1.933 480 A HA -0.214 4.093 4.320 -0.022 0.000 0.218 480 A C 2.116 179.709 177.584 0.015 0.000 1.175 480 A CA 1.700 53.743 52.037 0.010 0.000 0.628 480 A CB -0.370 18.642 19.000 0.021 0.000 0.814 480 A HN 0.519 nan 8.150 nan 0.000 0.444 481 E N 0.122 120.327 120.200 0.010 0.000 2.047 481 E HA -0.123 4.214 4.350 -0.022 0.000 0.191 481 E C 1.883 178.501 176.600 0.029 0.000 0.987 481 E CA 1.193 57.603 56.400 0.017 0.000 0.799 481 E CB -0.378 29.327 29.700 0.009 0.000 0.752 481 E HN 0.593 nan 8.360 nan 0.000 0.449 482 L N 1.076 122.312 121.223 0.023 0.000 2.083 482 L HA -0.212 4.114 4.340 -0.022 0.000 0.209 482 L C 2.683 179.601 176.870 0.079 0.000 1.083 482 L CA 0.916 55.783 54.840 0.045 0.000 0.752 482 L CB -0.365 41.705 42.059 0.018 0.000 0.899 482 L HN 0.146 nan 8.230 nan 0.000 0.433 483 Q N -0.175 119.650 119.800 0.042 0.000 2.084 483 Q HA -0.256 4.071 4.340 -0.022 0.000 0.202 483 Q C 2.102 178.164 176.000 0.104 0.000 0.978 483 Q CA 1.793 57.621 55.803 0.042 0.000 0.844 483 Q CB -0.083 28.658 28.738 0.005 0.000 0.898 483 Q HN 0.470 nan 8.270 nan 0.000 0.426 484 E N 0.909 121.155 120.200 0.076 0.000 2.028 484 E HA -0.131 4.206 4.350 -0.022 0.000 0.191 484 E C 1.930 178.582 176.600 0.087 0.000 0.988 484 E CA 1.239 57.682 56.400 0.072 0.000 0.799 484 E CB -0.088 29.638 29.700 0.043 0.000 0.755 484 E HN 0.143 nan 8.360 nan 0.000 0.447 485 R N -0.605 119.945 120.500 0.082 0.000 2.117 485 R HA -0.173 4.153 4.340 -0.022 0.000 0.243 485 R C 2.413 178.770 176.300 0.095 0.000 1.143 485 R CA 1.416 57.559 56.100 0.071 0.000 0.968 485 R CB -0.762 29.574 30.300 0.060 0.000 0.863 485 R HN 0.305 nan 8.270 nan 0.000 0.444 486 F N 2.174 122.129 119.950 0.009 0.000 2.154 486 F HA -0.239 4.274 4.527 -0.023 0.000 0.301 486 F C 1.912 177.715 175.800 0.005 0.000 1.087 486 F CA 1.656 59.665 58.000 0.015 0.000 1.274 486 F CB -0.025 38.979 39.000 0.008 0.000 1.009 486 F HN -0.149 nan 8.300 nan 0.000 0.485 487 K N -0.202 120.255 120.400 0.094 0.000 2.442 487 K HA -0.057 4.250 4.320 -0.022 0.000 0.198 487 K C 1.239 177.796 176.600 -0.072 0.000 1.042 487 K CA 0.648 56.935 56.287 0.002 0.000 0.958 487 K CB -0.060 32.478 32.500 0.064 0.000 0.766 487 K HN 0.304 nan 8.250 nan 0.000 0.474 488 R N 0.479 120.936 120.500 -0.072 0.000 2.507 488 R HA 0.150 4.476 4.340 -0.022 0.000 0.298 488 R C -0.469 175.773 176.300 -0.097 0.000 0.999 488 R CA -0.182 55.878 56.100 -0.067 0.000 1.082 488 R CB 0.799 31.082 30.300 -0.029 0.000 1.246 488 R HN -0.107 nan 8.270 nan 0.000 0.553 489 V N 1.666 121.471 119.914 -0.182 0.000 2.546 489 V HA 0.191 4.298 4.120 -0.022 0.000 0.284 489 V C 0.404 176.409 176.094 -0.148 0.000 1.050 489 V CA -0.329 61.864 62.300 -0.178 0.000 0.981 489 V CB 1.440 33.073 31.823 -0.316 0.000 0.990 489 V HN 0.171 nan 8.190 nan 0.000 0.474 490 R N 5.041 125.492 120.500 -0.082 0.000 2.295 490 R HA 0.485 4.811 4.340 -0.022 0.000 0.324 490 R C -0.813 175.451 176.300 -0.060 0.000 0.968 490 R CA -0.634 55.423 56.100 -0.071 0.000 0.837 490 R CB 0.967 31.240 30.300 -0.045 0.000 1.133 490 R HN 0.660 nan 8.270 nan 0.000 0.450 491 I N 5.310 125.825 120.570 -0.092 0.000 2.329 491 I HA -0.009 4.147 4.170 -0.022 0.000 0.295 491 I C 1.727 177.802 176.117 -0.070 0.000 1.109 491 I CA -0.077 61.164 61.300 -0.098 0.000 1.297 491 I CB 1.358 39.271 38.000 -0.145 0.000 1.433 491 I HN 0.750 nan 8.210 nan 0.000 0.509 492 T N 0.808 115.337 114.554 -0.041 0.000 2.777 492 T HA -0.147 4.190 4.350 -0.022 0.000 0.266 492 T C 0.827 175.503 174.700 -0.040 0.000 1.040 492 T CA 0.450 62.532 62.100 -0.029 0.000 1.141 492 T CB -0.183 68.682 68.868 -0.006 0.000 0.868 492 T HN 0.484 nan 8.240 nan 0.000 0.444 493 D N 2.667 123.034 120.400 -0.054 0.000 2.358 493 D HA 0.140 4.767 4.640 -0.022 0.000 0.258 493 D C 1.154 177.412 176.300 -0.071 0.000 1.223 493 D CA 0.260 54.224 54.000 -0.061 0.000 0.886 493 D CB 1.225 41.978 40.800 -0.078 0.000 1.120 493 D HN 0.431 nan 8.370 nan 0.000 0.482 494 T N -0.317 114.204 114.554 -0.055 0.000 3.054 494 T HA 0.122 4.458 4.350 -0.022 0.000 0.255 494 T C 0.897 175.568 174.700 -0.049 0.000 1.035 494 T CA -0.176 61.891 62.100 -0.054 0.000 0.941 494 T CB -0.243 68.600 68.868 -0.042 0.000 1.026 494 T HN 0.284 nan 8.240 nan 0.000 0.533 495 S N 1.134 116.807 115.700 -0.045 0.000 2.589 495 S HA 0.353 4.810 4.470 -0.022 0.000 0.265 495 S C 0.839 175.413 174.600 -0.043 0.000 1.342 495 S CA -0.403 57.776 58.200 -0.034 0.000 1.005 495 S CB 1.091 64.278 63.200 -0.023 0.000 0.909 495 S HN 0.236 nan 8.310 nan 0.000 0.555 496 S N -0.584 115.099 115.700 -0.028 0.000 2.526 496 S HA 0.187 4.644 4.470 -0.022 0.000 0.220 496 S C 0.010 174.602 174.600 -0.013 0.000 1.017 496 S CA -0.382 57.799 58.200 -0.032 0.000 0.930 496 S CB 0.309 63.494 63.200 -0.024 0.000 0.856 496 S HN 0.581 nan 8.310 nan 0.000 0.497 497 V N 3.302 123.226 119.914 0.018 0.000 2.339 497 V HA 0.348 4.455 4.120 -0.022 0.000 0.261 497 V C -0.030 176.154 176.094 0.150 0.000 1.058 497 V CA -0.440 61.901 62.300 0.068 0.000 0.897 497 V CB -0.957 30.901 31.823 0.059 0.000 1.052 497 V HN 0.526 nan 8.190 nan 0.000 0.480 498 F N 3.568 123.483 119.950 -0.058 0.000 2.969 498 F HA -0.227 4.287 4.527 -0.021 0.000 0.273 498 F C 0.806 176.545 175.800 -0.102 0.000 0.986 498 F CA 0.373 58.333 58.000 -0.066 0.000 0.926 498 F CB -0.492 38.485 39.000 -0.040 0.000 0.887 498 F HN 0.669 nan 8.300 nan 0.000 0.816 499 N N 1.372 119.996 118.700 -0.126 0.000 2.406 499 N HA 0.085 4.812 4.740 -0.022 0.000 0.265 499 N C 1.288 176.605 175.510 -0.322 0.000 1.203 499 N CA 0.928 53.873 53.050 -0.175 0.000 0.945 499 N CB 0.986 39.370 38.487 -0.171 0.000 1.165 499 N HN 0.484 nan 8.380 nan 0.000 0.485 500 T N -0.003 114.338 114.554 -0.355 0.000 3.044 500 T HA -0.053 4.284 4.350 -0.022 0.000 0.255 500 T C 1.339 175.557 174.700 -0.803 0.000 1.073 500 T CA 0.270 61.986 62.100 -0.640 0.000 1.125 500 T CB 0.045 68.458 68.868 -0.759 0.000 0.908 500 T HN 0.308 nan 8.240 nan 0.000 0.480 501 D N 1.453 121.524 120.400 -0.547 0.000 2.133 501 D HA -0.131 4.496 4.640 -0.022 0.000 0.192 501 D C 1.902 177.885 176.300 -0.528 0.000 1.001 501 D CA 1.094 54.801 54.000 -0.487 0.000 0.844 501 D CB -0.456 40.185 40.800 -0.265 0.000 0.944 501 D HN 0.285 nan 8.370 nan 0.000 0.447 502 L N 0.204 121.184 121.223 -0.405 0.000 1.994 502 L HA -0.094 4.232 4.340 -0.022 0.000 0.208 502 L C 2.233 178.850 176.870 -0.422 0.000 1.071 502 L CA 1.610 56.232 54.840 -0.363 0.000 0.745 502 L CB -0.807 41.077 42.059 -0.291 0.000 0.892 502 L HN 0.180 nan 8.230 nan 0.000 0.431 503 L N -1.585 119.359 121.223 -0.465 0.000 2.017 503 L HA -0.277 4.050 4.340 -0.022 0.000 0.208 503 L C 2.617 179.308 176.870 -0.298 0.000 1.073 503 L CA 1.808 56.329 54.840 -0.532 0.000 0.745 503 L CB -0.935 40.833 42.059 -0.484 0.000 0.894 503 L HN 0.333 nan 8.230 nan 0.000 0.432 504 Y N -0.351 119.638 120.300 -0.519 0.000 2.256 504 Y HA -0.271 4.265 4.550 -0.023 0.000 0.288 504 Y C 2.823 178.300 175.900 -0.706 0.000 1.155 504 Y CA 0.895 58.629 58.100 -0.610 0.000 1.203 504 Y CB -0.439 37.464 38.460 -0.928 0.000 0.980 504 Y HN 0.210 nan 8.280 nan 0.000 0.530 505 T N 0.427 114.651 114.554 -0.549 0.000 2.812 505 T HA -0.116 4.221 4.350 -0.022 0.000 0.264 505 T C 1.789 176.481 174.700 -0.013 0.000 1.042 505 T CA 1.109 63.022 62.100 -0.312 0.000 1.140 505 T CB -0.304 68.354 68.868 -0.350 0.000 0.870 505 T HN 0.219 nan 8.240 nan 0.000 0.445 506 I N 1.050 121.545 120.570 -0.125 0.000 2.179 506 I HA -0.153 4.004 4.170 -0.022 0.000 0.242 506 I C 2.501 178.620 176.117 0.004 0.000 1.088 506 I CA 1.376 62.632 61.300 -0.073 0.000 1.357 506 I CB -0.324 37.564 38.000 -0.187 0.000 1.051 506 I HN 0.287 nan 8.210 nan 0.000 0.409 507 E N 0.384 120.642 120.200 0.098 0.000 2.160 507 E HA -0.267 4.070 4.350 -0.022 0.000 0.195 507 E C 2.076 178.752 176.600 0.127 0.000 0.991 507 E CA 1.131 57.668 56.400 0.228 0.000 0.810 507 E CB -0.214 29.599 29.700 0.189 0.000 0.742 507 E HN 0.307 nan 8.360 nan 0.000 0.466 508 L N 0.777 122.066 121.223 0.111 0.000 2.083 508 L HA -0.041 4.286 4.340 -0.022 0.000 0.209 508 L C 2.110 178.901 176.870 -0.132 0.000 1.083 508 L CA 2.103 57.025 54.840 0.136 0.000 0.752 508 L CB -0.912 41.388 42.059 0.402 0.000 0.899 508 L HN 0.087 nan 8.230 nan 0.000 0.433 509 G N -1.329 107.282 108.800 -0.314 0.000 2.459 509 G HA2 -0.310 3.637 3.960 -0.022 0.000 0.217 509 G HA3 -0.310 3.637 3.960 -0.022 0.000 0.217 509 G C 1.502 176.115 174.900 -0.477 0.000 1.183 509 G CA 1.019 45.623 45.100 -0.828 0.000 0.776 509 G HN 0.549 nan 8.290 nan 0.000 0.552 510 H N 0.867 119.847 119.070 -0.149 0.000 2.319 510 H HA -0.095 4.447 4.556 -0.023 0.000 0.299 510 H C 2.922 178.191 175.328 -0.099 0.000 1.092 510 H CA 1.302 57.295 56.048 -0.091 0.000 1.302 510 H CB -0.972 28.775 29.762 -0.024 0.000 1.373 510 H HN 0.361 nan 8.280 nan 0.000 0.497 511 G N 1.100 109.919 108.800 0.033 0.000 2.529 511 G HA2 -0.251 3.696 3.960 -0.022 0.000 0.219 511 G HA3 -0.251 3.696 3.960 -0.022 0.000 0.219 511 G C 1.976 176.838 174.900 -0.064 0.000 1.177 511 G CA 1.113 46.205 45.100 -0.014 0.000 0.773 511 G HN 0.299 nan 8.290 nan 0.000 0.573 512 L N 0.475 121.624 121.223 -0.125 0.000 2.046 512 L HA -0.076 4.250 4.340 -0.022 0.000 0.208 512 L C 2.782 179.592 176.870 -0.101 0.000 1.077 512 L CA 1.094 55.853 54.840 -0.135 0.000 0.747 512 L CB -0.479 41.454 42.059 -0.210 0.000 0.896 512 L HN 0.122 nan 8.230 nan 0.000 0.432 513 N N -0.249 118.390 118.700 -0.101 0.000 2.069 513 N HA -0.158 4.569 4.740 -0.022 0.000 0.191 513 N C 1.845 177.338 175.510 -0.030 0.000 1.031 513 N CA 1.357 54.375 53.050 -0.052 0.000 0.852 513 N CB -0.730 37.738 38.487 -0.032 0.000 1.018 513 N HN 0.103 nan 8.380 nan 0.000 0.423 514 V N 1.303 121.199 119.914 -0.030 0.000 2.307 514 V HA -0.140 3.967 4.120 -0.022 0.000 0.245 514 V C 2.417 178.487 176.094 -0.040 0.000 1.045 514 V CA 1.672 63.953 62.300 -0.033 0.000 1.024 514 V CB -1.126 30.677 31.823 -0.033 0.000 0.651 514 V HN 0.317 nan 8.190 nan 0.000 0.449 515 A N -0.273 122.513 122.820 -0.056 0.000 1.892 515 A HA -0.309 3.997 4.320 -0.022 0.000 0.218 515 A C 2.173 179.713 177.584 -0.074 0.000 1.188 515 A CA 2.220 54.208 52.037 -0.083 0.000 0.631 515 A CB -0.602 18.331 19.000 -0.111 0.000 0.822 515 A HN 0.631 nan 8.150 nan 0.000 0.447 516 E N -1.052 119.120 120.200 -0.047 0.000 2.118 516 E HA -0.208 4.128 4.350 -0.022 0.000 0.195 516 E C 2.009 178.640 176.600 0.053 0.000 0.992 516 E CA 1.336 57.733 56.400 -0.005 0.000 0.804 516 E CB -0.350 29.385 29.700 0.059 0.000 0.741 516 E HN 0.714 nan 8.360 nan 0.000 0.458 517 C N 0.237 119.553 119.300 0.027 0.000 2.446 517 C HA -0.022 4.425 4.460 -0.022 0.000 0.279 517 C C 2.542 177.527 174.990 -0.008 0.000 1.366 517 C CA 0.298 59.330 59.018 0.023 0.000 1.763 517 C CB -0.643 27.086 27.740 -0.019 0.000 1.929 517 C HN 0.441 nan 8.230 nan 0.000 0.509 518 M N 1.149 120.731 119.600 -0.030 0.000 2.081 518 M HA -0.066 4.401 4.480 -0.022 0.000 0.261 518 M C 2.673 178.939 176.300 -0.057 0.000 1.075 518 M CA 2.043 57.318 55.300 -0.042 0.000 1.133 518 M CB -0.755 31.836 32.600 -0.014 0.000 1.330 518 M HN 0.346 nan 8.290 nan 0.000 0.414 519 A N -0.162 122.610 122.820 -0.080 0.000 1.908 519 A HA -0.211 4.095 4.320 -0.022 0.000 0.218 519 A C 1.955 179.461 177.584 -0.130 0.000 1.181 519 A CA 1.719 53.680 52.037 -0.126 0.000 0.627 519 A CB -1.134 17.745 19.000 -0.201 0.000 0.818 519 A HN 0.479 nan 8.150 nan 0.000 0.445 520 H N -0.479 118.570 119.070 -0.035 0.000 2.363 520 H HA -0.014 4.529 4.556 -0.022 0.000 0.301 520 H C 2.626 177.938 175.328 -0.028 0.000 1.074 520 H CA 1.527 57.561 56.048 -0.022 0.000 1.354 520 H CB -0.303 29.447 29.762 -0.019 0.000 1.397 520 H HN 0.481 nan 8.280 nan 0.000 0.516 521 S N 0.558 116.294 115.700 0.060 0.000 2.359 521 S HA -0.167 4.290 4.470 -0.022 0.000 0.224 521 S C 2.445 176.976 174.600 -0.114 0.000 1.035 521 S CA 1.064 59.246 58.200 -0.029 0.000 1.018 521 S CB -0.296 62.850 63.200 -0.090 0.000 0.876 521 S HN 0.545 nan 8.310 nan 0.000 0.448 522 A N 1.124 123.853 122.820 -0.152 0.000 1.877 522 A HA -0.135 4.172 4.320 -0.022 0.000 0.216 522 A C 2.147 179.739 177.584 0.013 0.000 1.186 522 A CA 1.993 53.915 52.037 -0.191 0.000 0.620 522 A CB -0.638 18.344 19.000 -0.030 0.000 0.822 522 A HN 0.483 nan 8.150 nan 0.000 0.443 523 M N 0.093 119.716 119.600 0.039 0.000 2.086 523 M HA -0.019 4.447 4.480 -0.022 0.000 0.261 523 M C 2.133 178.489 176.300 0.093 0.000 1.067 523 M CA 1.906 57.248 55.300 0.070 0.000 1.116 523 M CB -0.427 32.206 32.600 0.054 0.000 1.348 523 M HN 0.353 nan 8.290 nan 0.000 0.407 524 A N -0.265 122.625 122.820 0.116 0.000 2.019 524 A HA -0.125 4.182 4.320 -0.022 0.000 0.219 524 A C 1.717 179.418 177.584 0.194 0.000 1.164 524 A CA 0.979 53.131 52.037 0.192 0.000 0.644 524 A CB -0.759 18.390 19.000 0.249 0.000 0.805 524 A HN 0.531 nan 8.150 nan 0.000 0.449 525 R N 1.384 121.915 120.500 0.052 0.000 2.609 525 R HA 0.093 4.420 4.340 -0.022 0.000 0.271 525 R C -0.627 175.543 176.300 -0.217 0.000 1.403 525 R CA -0.078 55.916 56.100 -0.176 0.000 1.138 525 R CB -0.132 29.996 30.300 -0.287 0.000 1.142 525 R HN 0.236 nan 8.270 nan 0.000 0.559 526 K N 4.870 125.024 120.400 -0.411 0.000 2.480 526 K HA -0.008 4.299 4.320 -0.022 0.000 0.241 526 K C -0.538 175.793 176.600 -0.449 0.000 1.261 526 K CA 0.133 56.264 56.287 -0.260 0.000 1.193 526 K CB -0.100 32.395 32.500 -0.008 0.000 1.598 526 K HN 0.681 nan 8.250 nan 0.000 0.278 527 E N -1.776 118.198 120.200 -0.375 0.000 2.422 527 E HA 0.262 4.598 4.350 -0.022 0.000 0.280 527 E C -1.406 175.129 176.600 -0.108 0.000 1.091 527 E CA -0.956 55.298 56.400 -0.244 0.000 0.849 527 E CB 0.859 30.360 29.700 -0.331 0.000 1.353 527 E HN -0.105 nan 8.360 nan 0.000 0.449 528 S N 0.296 115.966 115.700 -0.050 0.000 2.474 528 S HA 0.581 5.038 4.470 -0.022 0.000 0.321 528 S C -1.000 173.648 174.600 0.080 0.000 1.080 528 S CA -0.656 57.531 58.200 -0.022 0.000 1.106 528 S CB 0.622 63.799 63.200 -0.037 0.000 0.984 528 S HN 0.439 nan 8.310 nan 0.000 0.464 529 R N 2.210 122.827 120.500 0.194 0.000 2.584 529 R HA 0.556 4.882 4.340 -0.022 0.000 0.276 529 R C 0.698 177.177 176.300 0.299 0.000 1.046 529 R CA 0.286 56.523 56.100 0.227 0.000 0.906 529 R CB 1.095 31.552 30.300 0.263 0.000 1.215 529 R HN 0.840 nan 8.270 nan 0.000 0.449 530 G N 2.223 111.111 108.800 0.147 0.000 2.651 530 G HA2 -0.463 3.484 3.960 -0.022 0.000 0.315 530 G HA3 -0.463 3.484 3.960 -0.022 0.000 0.315 530 G C 0.766 175.769 174.900 0.172 0.000 1.258 530 G CA 0.719 45.880 45.100 0.102 0.000 1.002 530 G HN 0.890 nan 8.290 nan 0.000 0.551 531 A N -0.592 122.393 122.820 0.274 0.000 2.168 531 A HA 0.261 4.567 4.320 -0.022 0.000 0.215 531 A C 1.208 178.945 177.584 0.256 0.000 1.152 531 A CA 1.953 54.138 52.037 0.246 0.000 0.716 531 A CB -0.300 18.876 19.000 0.294 0.000 0.794 531 A HN 1.237 nan 8.150 nan 0.000 0.465 532 H N 1.187 120.397 119.070 0.234 0.000 2.761 532 H HA 0.443 4.986 4.556 -0.022 0.000 0.284 532 H C -0.718 174.624 175.328 0.024 0.000 1.105 532 H CA -0.293 55.795 56.048 0.067 0.000 1.352 532 H CB 0.143 29.905 29.762 -0.000 0.000 1.423 532 H HN 0.152 nan 8.280 nan 0.000 0.464 533 Q N 4.928 124.567 119.800 -0.268 0.000 2.327 533 Q HA 0.373 4.699 4.340 -0.022 0.000 0.270 533 Q C -0.333 175.521 176.000 -0.243 0.000 1.022 533 Q CA -0.527 55.143 55.803 -0.221 0.000 0.773 533 Q CB 2.004 30.636 28.738 -0.177 0.000 1.251 533 Q HN 0.700 nan 8.270 nan 0.000 0.457 534 R N 2.038 122.389 120.500 -0.248 0.000 2.532 534 R HA 0.492 4.819 4.340 -0.022 0.000 0.295 534 R C 0.949 177.191 176.300 -0.096 0.000 0.968 534 R CA -0.428 55.556 56.100 -0.193 0.000 0.916 534 R CB 1.408 31.570 30.300 -0.230 0.000 1.124 534 R HN 0.480 nan 8.270 nan 0.000 0.463 535 L N 1.028 122.194 121.223 -0.095 0.000 2.513 535 L HA 0.051 4.377 4.340 -0.022 0.000 0.222 535 L C 0.585 177.416 176.870 -0.066 0.000 1.096 535 L CA -0.001 54.775 54.840 -0.107 0.000 0.857 535 L CB -0.175 41.781 42.059 -0.173 0.000 1.026 535 L HN 0.685 nan 8.230 nan 0.000 0.469 536 D N 1.091 121.460 120.400 -0.051 0.000 2.368 536 D HA -0.106 4.521 4.640 -0.022 0.000 0.240 536 D C 0.091 176.378 176.300 -0.022 0.000 1.169 536 D CA -0.247 53.736 54.000 -0.028 0.000 0.906 536 D CB 0.835 41.624 40.800 -0.018 0.000 1.187 536 D HN 0.032 nan 8.370 nan 0.000 0.435 537 E N -0.403 119.791 120.200 -0.009 0.000 2.493 537 E HA 0.198 4.535 4.350 -0.022 0.000 0.255 537 E C 0.894 177.495 176.600 0.001 0.000 0.999 537 E CA 0.675 57.074 56.400 -0.003 0.000 0.934 537 E CB -0.285 29.417 29.700 0.004 0.000 0.940 537 E HN 0.722 nan 8.360 nan 0.000 0.473 538 G N 3.357 112.158 108.800 0.001 0.000 2.143 538 G HA2 -0.286 3.661 3.960 -0.022 0.000 0.248 538 G HA3 -0.286 3.661 3.960 -0.022 0.000 0.248 538 G C 0.433 175.333 174.900 0.001 0.000 0.991 538 G CA 0.107 45.212 45.100 0.009 0.000 0.689 538 G HN 0.628 nan 8.290 nan 0.000 0.522 539 C N 0.143 119.431 119.300 -0.020 0.000 3.657 539 C HA 0.371 4.818 4.460 -0.022 0.000 0.291 539 C C 2.235 177.190 174.990 -0.058 0.000 1.572 539 C CA 0.788 59.776 59.018 -0.050 0.000 1.818 539 C CB -0.453 27.247 27.740 -0.067 0.000 2.903 539 C HN 0.815 nan 8.230 nan 0.000 0.632 540 T N -2.226 112.309 114.554 -0.031 0.000 3.129 540 T HA 0.169 4.505 4.350 -0.022 0.000 0.251 540 T C 0.241 174.940 174.700 -0.001 0.000 1.117 540 T CA 0.688 62.776 62.100 -0.020 0.000 1.034 540 T CB 0.407 69.269 68.868 -0.009 0.000 0.968 540 T HN 0.606 nan 8.240 nan 0.000 0.526 541 E N 0.066 120.266 120.200 -0.000 0.000 2.423 541 E HA 0.516 4.852 4.350 -0.022 0.000 0.269 541 E C -0.937 175.676 176.600 0.020 0.000 0.948 541 E CA -1.188 55.221 56.400 0.015 0.000 0.802 541 E CB 1.748 31.458 29.700 0.017 0.000 1.339 541 E HN 0.013 nan 8.360 nan 0.000 0.445 542 R N 1.355 121.873 120.500 0.030 0.000 2.389 542 R HA 0.081 4.408 4.340 -0.022 0.000 0.295 542 R C -1.059 175.268 176.300 0.045 0.000 1.075 542 R CA 0.038 56.163 56.100 0.042 0.000 1.005 542 R CB 0.421 30.742 30.300 0.035 0.000 0.987 542 R HN 0.361 nan 8.270 nan 0.000 0.452 543 D N 2.895 123.344 120.400 0.083 0.000 2.461 543 D HA 0.120 4.747 4.640 -0.022 0.000 0.240 543 D C -0.503 175.868 176.300 0.118 0.000 1.094 543 D CA -0.475 53.594 54.000 0.114 0.000 0.868 543 D CB 1.347 42.272 40.800 0.209 0.000 1.062 543 D HN 0.411 nan 8.370 nan 0.000 0.530 544 D N 2.133 122.559 120.400 0.044 0.000 2.333 544 D HA -0.028 4.599 4.640 -0.022 0.000 0.208 544 D C 2.103 178.403 176.300 0.001 0.000 0.984 544 D CA 0.348 54.356 54.000 0.014 0.000 0.873 544 D CB 0.640 41.411 40.800 -0.047 0.000 0.935 544 D HN 0.241 nan 8.370 nan 0.000 0.521 545 V N 1.024 120.940 119.914 0.004 0.000 2.307 545 V HA -0.158 3.949 4.120 -0.022 0.000 0.245 545 V C 1.685 177.740 176.094 -0.065 0.000 1.045 545 V CA 1.451 63.737 62.300 -0.022 0.000 1.024 545 V CB -0.182 31.634 31.823 -0.012 0.000 0.651 545 V HN 0.256 nan 8.190 nan 0.000 0.449 546 N N -2.113 116.543 118.700 -0.074 0.000 2.273 546 N HA 0.186 4.913 4.740 -0.022 0.000 0.192 546 N C 0.805 175.970 175.510 -0.574 0.000 1.132 546 N CA 0.374 53.241 53.050 -0.304 0.000 0.887 546 N CB 0.929 39.220 38.487 -0.328 0.000 1.048 546 N HN 0.464 nan 8.380 nan 0.000 0.490 547 F N 0.294 120.196 119.950 -0.079 0.000 2.772 547 F HA 0.316 4.830 4.527 -0.023 0.000 0.316 547 F C 0.391 176.165 175.800 -0.042 0.000 1.114 547 F CA -0.432 57.518 58.000 -0.084 0.000 1.191 547 F CB 0.665 39.643 39.000 -0.037 0.000 1.065 547 F HN -0.167 nan 8.300 nan 0.000 0.534 548 L N 3.972 125.233 121.223 0.062 0.000 2.376 548 L HA 0.194 4.520 4.340 -0.022 0.000 0.250 548 L C -0.073 176.782 176.870 -0.025 0.000 1.335 548 L CA 0.474 55.330 54.840 0.026 0.000 1.214 548 L CB -1.462 40.605 42.059 0.013 0.000 1.395 548 L HN 0.116 nan 8.230 nan 0.000 0.424 549 K N 0.796 121.185 120.400 -0.017 0.000 2.598 549 K HA 0.377 4.683 4.320 -0.022 0.000 0.271 549 K C -1.292 175.357 176.600 0.081 0.000 0.947 549 K CA -0.934 55.348 56.287 -0.008 0.000 0.854 549 K CB 0.981 33.500 32.500 0.032 0.000 1.401 549 K HN 0.002 nan 8.250 nan 0.000 0.415 550 H N 1.023 120.238 119.070 0.242 0.000 2.511 550 H HA 0.219 4.762 4.556 -0.021 0.000 0.346 550 H C -0.262 175.266 175.328 0.334 0.000 1.128 550 H CA -0.056 56.140 56.048 0.247 0.000 1.342 550 H CB 1.580 31.424 29.762 0.138 0.000 1.470 550 H HN 0.508 nan 8.280 nan 0.000 0.546 551 T N 4.206 119.005 114.554 0.409 0.000 2.771 551 T HA 0.347 4.684 4.350 -0.022 0.000 0.291 551 T C 0.663 175.387 174.700 0.040 0.000 0.954 551 T CA -0.623 61.593 62.100 0.194 0.000 1.045 551 T CB 0.299 69.263 68.868 0.160 0.000 0.917 551 T HN 0.219 nan 8.240 nan 0.000 0.484 552 L N 2.779 123.958 121.223 -0.073 0.000 2.305 552 L HA 0.694 5.021 4.340 -0.022 0.000 0.284 552 L C 0.121 176.929 176.870 -0.103 0.000 1.013 552 L CA -1.070 53.707 54.840 -0.104 0.000 0.819 552 L CB 1.388 43.436 42.059 -0.018 0.000 1.227 552 L HN 0.678 nan 8.230 nan 0.000 0.417 553 A N 3.957 126.661 122.820 -0.192 0.000 2.273 553 A HA 0.795 5.102 4.320 -0.022 0.000 0.315 553 A C -1.008 176.450 177.584 -0.209 0.000 1.256 553 A CA -0.297 51.680 52.037 -0.099 0.000 0.851 553 A CB 0.339 19.296 19.000 -0.073 0.000 1.172 553 A HN 0.481 nan 8.150 nan 0.000 0.508 554 F N 0.741 120.642 119.950 -0.082 0.000 2.483 554 F HA 0.678 5.190 4.527 -0.025 0.000 0.329 554 F C 0.813 176.574 175.800 -0.065 0.000 1.064 554 F CA -0.532 57.428 58.000 -0.068 0.000 0.986 554 F CB 1.726 40.684 39.000 -0.070 0.000 1.218 554 F HN 0.585 nan 8.300 nan 0.000 0.484 555 R N 1.805 122.379 120.500 0.123 0.000 2.388 555 R HA 0.279 4.605 4.340 -0.022 0.000 0.314 555 R C -1.357 174.970 176.300 0.044 0.000 0.959 555 R CA -0.559 55.573 56.100 0.053 0.000 0.851 555 R CB 0.604 30.915 30.300 0.018 0.000 1.168 555 R HN 0.656 nan 8.270 nan 0.000 0.472 556 D N 2.657 123.068 120.400 0.018 0.000 2.312 556 D HA 0.111 4.738 4.640 -0.022 0.000 0.248 556 D C 0.998 177.290 176.300 -0.013 0.000 1.086 556 D CA 0.150 54.149 54.000 -0.002 0.000 0.948 556 D CB 1.754 42.541 40.800 -0.022 0.000 1.162 556 D HN 0.694 nan 8.370 nan 0.000 0.446 557 A N 2.030 124.838 122.820 -0.021 0.000 2.042 557 A HA -0.257 4.049 4.320 -0.022 0.000 0.222 557 A C 1.378 178.951 177.584 -0.020 0.000 1.167 557 A CA 2.116 54.138 52.037 -0.025 0.000 0.649 557 A CB -0.590 18.392 19.000 -0.030 0.000 0.809 557 A HN 0.678 nan 8.150 nan 0.000 0.457 558 D N -2.361 118.028 120.400 -0.019 0.000 2.371 558 D HA 0.305 4.932 4.640 -0.022 0.000 0.221 558 D C 1.203 177.496 176.300 -0.012 0.000 0.986 558 D CA 0.868 54.859 54.000 -0.015 0.000 0.899 558 D CB -0.331 40.458 40.800 -0.019 0.000 0.902 558 D HN 0.728 nan 8.370 nan 0.000 0.530 559 G N 0.234 109.027 108.800 -0.012 0.000 2.141 559 G HA2 -0.267 3.679 3.960 -0.022 0.000 0.242 559 G HA3 -0.267 3.679 3.960 -0.022 0.000 0.242 559 G C 0.399 175.294 174.900 -0.009 0.000 0.982 559 G CA 0.382 45.477 45.100 -0.008 0.000 0.662 559 G HN 0.694 nan 8.290 nan 0.000 0.527 560 T N -1.103 113.439 114.554 -0.021 0.000 2.909 560 T HA 0.617 4.953 4.350 -0.022 0.000 0.286 560 T C 0.080 174.745 174.700 -0.058 0.000 1.002 560 T CA 0.206 62.279 62.100 -0.044 0.000 1.074 560 T CB 2.058 70.892 68.868 -0.056 0.000 0.984 560 T HN 0.333 nan 8.240 nan 0.000 0.495 561 T N 3.893 118.373 114.554 -0.123 0.000 2.753 561 T HA 0.447 4.784 4.350 -0.022 0.000 0.297 561 T C 0.065 174.637 174.700 -0.212 0.000 0.981 561 T CA -0.718 61.301 62.100 -0.135 0.000 0.956 561 T CB 0.244 69.053 68.868 -0.098 0.000 0.936 561 T HN 0.520 nan 8.240 nan 0.000 0.463 562 R N 2.571 123.023 120.500 -0.079 0.000 2.562 562 R HA 0.627 4.953 4.340 -0.022 0.000 0.298 562 R C -0.728 175.571 176.300 -0.002 0.000 0.961 562 R CA -0.841 55.215 56.100 -0.073 0.000 0.881 562 R CB 1.827 32.084 30.300 -0.071 0.000 1.159 562 R HN 0.466 nan 8.270 nan 0.000 0.450 563 L N 2.162 123.349 121.223 -0.060 0.000 2.325 563 L HA 0.487 4.814 4.340 -0.022 0.000 0.278 563 L C 0.110 176.881 176.870 -0.164 0.000 1.023 563 L CA -0.514 54.263 54.840 -0.106 0.000 0.811 563 L CB 1.600 43.548 42.059 -0.187 0.000 1.249 563 L HN 0.530 nan 8.230 nan 0.000 0.431 564 E N 1.316 121.406 120.200 -0.183 0.000 2.392 564 E HA 0.508 4.844 4.350 -0.022 0.000 0.269 564 E C -1.790 174.561 176.600 -0.414 0.000 0.924 564 E CA -0.801 55.490 56.400 -0.182 0.000 0.784 564 E CB 2.742 32.474 29.700 0.054 0.000 1.292 564 E HN 0.314 nan 8.360 nan 0.000 0.447 565 Y N 0.206 120.569 120.300 0.105 0.000 2.485 565 Y HA 0.399 4.937 4.550 -0.021 0.000 0.345 565 Y C 0.171 176.132 175.900 0.101 0.000 0.998 565 Y CA -0.664 57.499 58.100 0.105 0.000 1.059 565 Y CB 2.263 40.760 38.460 0.061 0.000 1.234 565 Y HN 0.480 nan 8.280 nan 0.000 0.461 566 S N 0.359 116.236 115.700 0.296 0.000 2.599 566 S HA 0.490 4.947 4.470 -0.022 0.000 0.287 566 S C -1.314 173.416 174.600 0.217 0.000 1.105 566 S CA -1.152 57.180 58.200 0.219 0.000 0.899 566 S CB 1.876 65.191 63.200 0.192 0.000 1.100 566 S HN 0.504 nan 8.310 nan 0.000 0.482 567 D N 0.750 121.244 120.400 0.155 0.000 2.368 567 D HA 0.351 4.978 4.640 -0.022 0.000 0.240 567 D C -0.402 175.985 176.300 0.145 0.000 1.169 567 D CA -0.054 54.012 54.000 0.110 0.000 0.906 567 D CB 1.108 41.956 40.800 0.081 0.000 1.187 567 D HN 0.402 nan 8.370 nan 0.000 0.435 568 V N 2.165 122.114 119.914 0.059 0.000 2.334 568 V HA 0.099 4.205 4.120 -0.022 0.000 0.281 568 V C 0.292 176.446 176.094 0.099 0.000 1.016 568 V CA -0.937 61.400 62.300 0.062 0.000 0.832 568 V CB 1.241 33.006 31.823 -0.096 0.000 0.999 568 V HN 0.353 nan 8.190 nan 0.000 0.439 569 K N 5.628 126.105 120.400 0.128 0.000 2.447 569 K HA 0.288 4.594 4.320 -0.022 0.000 0.281 569 K C -0.826 175.845 176.600 0.117 0.000 1.031 569 K CA 0.654 57.006 56.287 0.109 0.000 1.019 569 K CB 0.001 32.561 32.500 0.100 0.000 0.918 569 K HN 0.631 nan 8.250 nan 0.000 0.476 570 I N 4.638 125.280 120.570 0.121 0.000 2.498 570 I HA 0.198 4.354 4.170 -0.022 0.000 0.290 570 I C 0.912 177.118 176.117 0.147 0.000 1.032 570 I CA -0.503 60.887 61.300 0.151 0.000 1.073 570 I CB 2.177 40.273 38.000 0.159 0.000 1.251 570 I HN 0.960 nan 8.210 nan 0.000 0.426 571 T N -0.568 114.096 114.554 0.182 0.000 3.480 571 T HA -0.007 4.330 4.350 -0.022 0.000 0.229 571 T C 1.263 176.044 174.700 0.134 0.000 0.944 571 T CA 1.034 63.221 62.100 0.146 0.000 1.388 571 T CB -0.051 68.902 68.868 0.142 0.000 1.180 571 T HN 0.589 nan 8.240 nan 0.000 0.414 572 T N -1.118 113.530 114.554 0.157 0.000 3.040 572 T HA 0.451 4.788 4.350 -0.022 0.000 0.266 572 T C -0.002 174.824 174.700 0.209 0.000 1.005 572 T CA -0.454 61.718 62.100 0.121 0.000 0.906 572 T CB 0.071 68.947 68.868 0.013 0.000 1.082 572 T HN 0.238 nan 8.240 nan 0.000 0.531 573 L N 3.483 124.893 121.223 0.310 0.000 2.488 573 L HA 0.545 4.872 4.340 -0.022 0.000 0.250 573 L C -2.766 174.373 176.870 0.448 0.000 1.280 573 L CA -2.287 52.791 54.840 0.396 0.000 0.929 573 L CB 1.395 43.743 42.059 0.482 0.000 1.200 573 L HN -0.086 nan 8.230 nan 0.000 0.495 574 P HA 0.350 nan 4.420 nan 0.000 0.275 574 P C -2.717 174.716 177.300 0.222 0.000 1.228 574 P CA -1.165 62.090 63.100 0.258 0.000 0.786 574 P CB 0.093 31.876 31.700 0.138 0.000 0.927 575 P HA 0.377 nan 4.420 nan 0.000 0.277 575 P C -2.090 175.007 177.300 -0.339 0.000 1.271 575 P CA -0.569 62.108 63.100 -0.705 0.000 0.795 575 P CB 1.686 32.667 31.700 -1.197 0.000 1.101 576 A N 0.000 122.591 122.820 -0.382 0.000 2.254 576 A HA 0.000 4.307 4.320 -0.022 0.000 0.244 576 A CA 0.000 51.918 52.037 -0.198 0.000 0.836 576 A CB 0.000 18.951 19.000 -0.081 0.000 0.831 576 A HN 0.000 nan 8.150 nan 0.000 0.486