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 3p4q_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 0.000 176.326 176.300 0.044 0.000 1.140 0 M CA 0.000 55.322 55.300 0.037 0.000 0.988 0 M CB 0.000 32.629 32.600 0.048 0.000 1.302 1 Q N 1.683 121.526 119.800 0.073 0.000 2.262 1 Q HA 0.272 4.619 4.340 0.011 0.000 0.272 1 Q C -1.214 174.850 176.000 0.107 0.000 1.076 1 Q CA 0.524 56.368 55.803 0.068 0.000 0.905 1 Q CB 0.664 29.486 28.738 0.141 0.000 1.182 1 Q HN 0.584 nan 8.270 nan 0.000 0.390 2 T N 4.777 119.330 114.554 -0.002 0.000 2.799 2 T HA 0.445 4.801 4.350 0.011 0.000 0.286 2 T C -0.733 173.932 174.700 -0.059 0.000 0.973 2 T CA -0.254 61.869 62.100 0.038 0.000 1.035 2 T CB 0.365 69.236 68.868 0.005 0.000 0.932 2 T HN 0.347 nan 8.240 nan 0.000 0.469 3 F N 1.584 121.536 119.950 0.004 0.000 2.508 3 F HA 0.486 5.016 4.527 0.004 0.000 0.325 3 F C 0.445 176.260 175.800 0.025 0.000 1.090 3 F CA -1.097 56.924 58.000 0.036 0.000 0.945 3 F CB 2.036 41.071 39.000 0.057 0.000 1.156 3 F HN 0.315 nan 8.300 nan 0.000 0.463 4 Q N 2.414 122.329 119.800 0.191 0.000 2.278 4 Q HA 0.740 5.086 4.340 0.011 0.000 0.257 4 Q C -1.262 174.833 176.000 0.158 0.000 0.928 4 Q CA -0.371 55.509 55.803 0.128 0.000 0.932 4 Q CB 1.549 30.328 28.738 0.068 0.000 1.221 4 Q HN 0.726 nan 8.270 nan 0.000 0.434 5 A N 3.350 126.241 122.820 0.117 0.000 2.498 5 A HA 0.492 4.818 4.320 0.011 0.000 0.298 5 A C -0.495 177.128 177.584 0.065 0.000 1.075 5 A CA -0.662 51.438 52.037 0.104 0.000 0.714 5 A CB 1.418 20.484 19.000 0.109 0.000 1.299 5 A HN 0.756 nan 8.150 nan 0.000 0.407 6 D N -0.298 120.134 120.400 0.052 0.000 2.213 6 D HA 0.183 4.829 4.640 0.011 0.000 0.205 6 D C 0.484 176.802 176.300 0.030 0.000 0.961 6 D CA 1.711 55.732 54.000 0.036 0.000 0.853 6 D CB 0.207 41.022 40.800 0.025 0.000 0.967 6 D HN 0.576 nan 8.370 nan 0.000 0.496 7 L N -2.539 118.700 121.223 0.025 0.000 2.556 7 L HA 0.777 5.124 4.340 0.011 0.000 0.257 7 L C -2.012 174.865 176.870 0.012 0.000 0.955 7 L CA -1.169 53.680 54.840 0.014 0.000 0.850 7 L CB 2.103 44.154 42.059 -0.013 0.000 1.398 7 L HN -0.227 nan 8.230 nan 0.000 0.412 8 A N 4.021 126.842 122.820 0.002 0.000 2.331 8 A HA 0.856 5.183 4.320 0.011 0.000 0.320 8 A C -0.842 176.729 177.584 -0.022 0.000 1.138 8 A CA -0.586 51.444 52.037 -0.012 0.000 0.790 8 A CB 1.170 20.146 19.000 -0.040 0.000 1.206 8 A HN 0.688 nan 8.150 nan 0.000 0.470 9 I N 2.724 123.280 120.570 -0.023 0.000 2.406 9 I HA 0.325 4.502 4.170 0.011 0.000 0.290 9 I C -0.743 175.348 176.117 -0.042 0.000 0.999 9 I CA -0.915 60.367 61.300 -0.031 0.000 1.124 9 I CB 1.977 39.960 38.000 -0.028 0.000 1.289 9 I HN 0.282 nan 8.210 nan 0.000 0.441 10 V N 5.343 125.222 119.914 -0.059 0.000 2.364 10 V HA 0.783 4.910 4.120 0.011 0.000 0.272 10 V C 0.495 176.541 176.094 -0.080 0.000 1.036 10 V CA -0.198 62.049 62.300 -0.087 0.000 0.880 10 V CB 0.694 32.445 31.823 -0.120 0.000 0.991 10 V HN 1.079 nan 8.190 nan 0.000 0.460 11 G N 4.119 112.873 108.800 -0.077 0.000 2.906 11 G HA2 0.357 4.324 3.960 0.011 0.000 0.686 11 G HA3 0.357 4.324 3.960 0.011 0.000 0.686 11 G C -0.316 174.564 174.900 -0.032 0.000 1.170 11 G CA -0.247 44.816 45.100 -0.062 0.000 0.775 11 G HN 1.543 nan 8.290 nan 0.000 0.630 12 A N 1.280 124.083 122.820 -0.028 0.000 2.812 12 A HA 0.814 5.140 4.320 0.011 0.000 0.294 12 A C 1.157 178.734 177.584 -0.011 0.000 1.014 12 A CA 1.073 53.103 52.037 -0.011 0.000 1.024 12 A CB -0.087 18.904 19.000 -0.016 0.000 1.162 12 A HN 2.176 nan 8.150 nan 0.000 0.511 13 G N -0.919 107.884 108.800 0.003 0.000 2.525 13 G HA2 0.434 4.400 3.960 0.011 0.000 0.287 13 G HA3 0.434 4.400 3.960 0.011 0.000 0.287 13 G C 1.143 176.068 174.900 0.043 0.000 1.350 13 G CA 0.110 45.224 45.100 0.024 0.000 1.039 13 G HN 0.606 nan 8.290 nan 0.000 0.513 14 G N 0.192 109.030 108.800 0.064 0.000 2.631 14 G HA2 -0.106 3.860 3.960 0.011 0.000 0.219 14 G HA3 -0.106 3.860 3.960 0.011 0.000 0.219 14 G C 2.069 177.023 174.900 0.089 0.000 1.214 14 G CA 2.496 47.647 45.100 0.086 0.000 0.785 14 G HN 1.100 nan 8.290 nan 0.000 0.596 15 A N 0.807 123.684 122.820 0.095 0.000 1.859 15 A HA -0.013 4.313 4.320 0.011 0.000 0.218 15 A C 2.828 180.447 177.584 0.058 0.000 1.209 15 A CA 2.912 55.005 52.037 0.094 0.000 0.639 15 A CB -1.482 17.572 19.000 0.089 0.000 0.835 15 A HN 0.929 nan 8.150 nan 0.000 0.450 16 G N -0.656 108.165 108.800 0.034 0.000 2.476 16 G HA2 -0.215 3.752 3.960 0.011 0.000 0.218 16 G HA3 -0.215 3.752 3.960 0.011 0.000 0.218 16 G C 1.611 176.514 174.900 0.005 0.000 1.164 16 G CA 1.187 46.293 45.100 0.010 0.000 0.768 16 G HN 0.442 nan 8.290 nan 0.000 0.560 17 L N -0.334 120.900 121.223 0.019 0.000 2.046 17 L HA -0.023 4.324 4.340 0.011 0.000 0.208 17 L C 2.932 179.788 176.870 -0.023 0.000 1.077 17 L CA 1.266 56.110 54.840 0.007 0.000 0.747 17 L CB -0.274 41.807 42.059 0.037 0.000 0.896 17 L HN 0.153 nan 8.230 nan 0.000 0.432 18 R N 0.461 120.974 120.500 0.021 0.000 2.105 18 R HA -0.149 4.197 4.340 0.011 0.000 0.239 18 R C 2.112 178.416 176.300 0.006 0.000 1.135 18 R CA 1.652 57.779 56.100 0.046 0.000 0.967 18 R CB -0.531 29.839 30.300 0.117 0.000 0.861 18 R HN 0.354 nan 8.270 nan 0.000 0.442 19 A N 0.095 122.911 122.820 -0.007 0.000 1.873 19 A HA 0.031 4.358 4.320 0.011 0.000 0.215 19 A C 2.383 179.914 177.584 -0.088 0.000 1.186 19 A CA 1.585 53.595 52.037 -0.045 0.000 0.616 19 A CB -1.145 17.829 19.000 -0.042 0.000 0.823 19 A HN 0.459 nan 8.150 nan 0.000 0.442 20 A N 0.176 122.944 122.820 -0.086 0.000 1.865 20 A HA -0.159 4.168 4.320 0.011 0.000 0.217 20 A C 2.135 179.593 177.584 -0.210 0.000 1.191 20 A CA 1.731 53.700 52.037 -0.114 0.000 0.623 20 A CB -0.779 18.176 19.000 -0.074 0.000 0.826 20 A HN 0.499 nan 8.150 nan 0.000 0.444 21 I N -0.187 120.223 120.570 -0.266 0.000 2.118 21 I HA -0.343 3.833 4.170 0.011 0.000 0.241 21 I C 3.018 178.886 176.117 -0.414 0.000 1.070 21 I CA 1.306 62.303 61.300 -0.506 0.000 1.327 21 I CB -0.467 37.255 38.000 -0.463 0.000 1.034 21 I HN 0.375 nan 8.210 nan 0.000 0.405 22 A N 0.638 123.346 122.820 -0.187 0.000 1.917 22 A HA -0.260 4.067 4.320 0.011 0.000 0.219 22 A C 2.487 179.986 177.584 -0.141 0.000 1.182 22 A CA 2.326 54.298 52.037 -0.107 0.000 0.633 22 A CB -0.967 18.004 19.000 -0.048 0.000 0.819 22 A HN 0.491 nan 8.150 nan 0.000 0.448 23 A N -0.727 121.999 122.820 -0.158 0.000 1.968 23 A HA 0.321 4.647 4.320 0.011 0.000 0.217 23 A C 2.369 179.870 177.584 -0.138 0.000 1.169 23 A CA 1.617 53.574 52.037 -0.133 0.000 0.638 23 A CB -0.738 18.188 19.000 -0.122 0.000 0.812 23 A HN 1.070 nan 8.150 nan 0.000 0.446 24 A N -0.980 121.709 122.820 -0.217 0.000 2.119 24 A HA -0.050 4.277 4.320 0.011 0.000 0.217 24 A C 2.025 179.501 177.584 -0.180 0.000 1.153 24 A CA 1.338 53.251 52.037 -0.207 0.000 0.692 24 A CB -0.270 18.550 19.000 -0.299 0.000 0.799 24 A HN 0.641 nan 8.150 nan 0.000 0.458 25 Q N -0.977 118.692 119.800 -0.219 0.000 2.134 25 Q HA 0.127 4.473 4.340 0.011 0.000 0.195 25 Q C 2.451 178.433 176.000 -0.029 0.000 0.958 25 Q CA 0.832 56.587 55.803 -0.081 0.000 0.840 25 Q CB -0.244 28.460 28.738 -0.058 0.000 0.918 25 Q HN 0.612 nan 8.270 nan 0.000 0.467 26 A N 1.604 124.395 122.820 -0.048 0.000 1.908 26 A HA -0.152 4.175 4.320 0.011 0.000 0.218 26 A C 1.097 178.668 177.584 -0.020 0.000 1.181 26 A CA 1.266 53.285 52.037 -0.030 0.000 0.627 26 A CB -0.178 18.796 19.000 -0.044 0.000 0.818 26 A HN 0.323 nan 8.150 nan 0.000 0.445 27 N N -1.475 117.208 118.700 -0.028 0.000 2.519 27 N HA 0.284 5.031 4.740 0.011 0.000 0.286 27 N C -2.875 172.632 175.510 -0.005 0.000 1.079 27 N CA -1.505 51.538 53.050 -0.012 0.000 0.878 27 N CB 1.751 40.231 38.487 -0.013 0.000 1.375 27 N HN -0.187 nan 8.380 nan 0.000 0.514 28 P HA 0.070 nan 4.420 nan 0.000 0.226 28 P C 0.617 177.934 177.300 0.028 0.000 1.153 28 P CA 0.799 63.919 63.100 0.034 0.000 0.777 28 P CB 0.445 32.172 31.700 0.044 0.000 0.794 29 N N -0.869 117.842 118.700 0.018 0.000 2.392 29 N HA 0.082 4.828 4.740 0.011 0.000 0.177 29 N C 0.762 176.281 175.510 0.016 0.000 1.066 29 N CA 0.097 53.157 53.050 0.018 0.000 0.895 29 N CB 0.063 38.559 38.487 0.015 0.000 0.988 29 N HN 0.052 nan 8.380 nan 0.000 0.457 30 A N 1.226 124.052 122.820 0.010 0.000 2.386 30 A HA 0.161 4.488 4.320 0.011 0.000 0.248 30 A C 0.581 178.175 177.584 0.016 0.000 1.082 30 A CA -0.062 51.981 52.037 0.010 0.000 0.789 30 A CB 0.644 19.643 19.000 -0.001 0.000 1.025 30 A HN -0.082 nan 8.150 nan 0.000 0.490 31 K N 1.979 122.394 120.400 0.026 0.000 2.240 31 K HA 0.509 4.835 4.320 0.011 0.000 0.271 31 K C -1.391 175.233 176.600 0.040 0.000 1.018 31 K CA -0.072 56.238 56.287 0.038 0.000 0.874 31 K CB 0.415 32.950 32.500 0.058 0.000 1.098 31 K HN 0.624 nan 8.250 nan 0.000 0.458 32 I N 3.040 123.629 120.570 0.031 0.000 2.389 32 I HA 0.267 4.444 4.170 0.011 0.000 0.288 32 I C -0.112 176.039 176.117 0.057 0.000 0.999 32 I CA -0.917 60.398 61.300 0.025 0.000 1.129 32 I CB 1.925 39.917 38.000 -0.013 0.000 1.288 32 I HN 0.555 nan 8.210 nan 0.000 0.444 33 A N 7.358 130.237 122.820 0.098 0.000 2.294 33 A HA 0.574 4.901 4.320 0.011 0.000 0.316 33 A C -0.820 176.847 177.584 0.139 0.000 1.359 33 A CA -0.379 51.785 52.037 0.211 0.000 0.956 33 A CB 0.379 19.531 19.000 0.253 0.000 1.155 33 A HN 0.600 nan 8.150 nan 0.000 0.544 34 L N 4.367 125.662 121.223 0.120 0.000 2.257 34 L HA 0.632 4.979 4.340 0.011 0.000 0.290 34 L C -0.763 176.167 176.870 0.099 0.000 1.044 34 L CA -0.085 54.795 54.840 0.067 0.000 0.810 34 L CB 0.599 42.675 42.059 0.029 0.000 1.193 34 L HN 0.581 nan 8.230 nan 0.000 0.425 35 I N 4.066 124.663 120.570 0.044 0.000 2.433 35 I HA 0.600 4.776 4.170 0.011 0.000 0.292 35 I C -0.091 176.010 176.117 -0.027 0.000 1.001 35 I CA -0.231 61.078 61.300 0.015 0.000 1.119 35 I CB 1.874 39.834 38.000 -0.066 0.000 1.289 35 I HN 0.587 nan 8.210 nan 0.000 0.438 36 S N 3.828 119.515 115.700 -0.021 0.000 2.536 36 S HA 0.334 4.811 4.470 0.011 0.000 0.271 36 S C 0.309 174.877 174.600 -0.054 0.000 1.134 36 S CA -0.867 57.299 58.200 -0.056 0.000 0.897 36 S CB 1.428 64.595 63.200 -0.054 0.000 1.094 36 S HN 0.783 nan 8.310 nan 0.000 0.473 37 K N 1.625 121.977 120.400 -0.081 0.000 2.459 37 K HA 0.191 4.517 4.320 0.011 0.000 0.193 37 K C 0.467 177.048 176.600 -0.032 0.000 1.030 37 K CA 0.483 56.743 56.287 -0.045 0.000 1.026 37 K CB -0.275 32.200 32.500 -0.042 0.000 0.809 37 K HN 0.415 nan 8.250 nan 0.000 0.504 38 V N -1.946 117.940 119.914 -0.047 0.000 3.074 38 V HA 0.392 4.518 4.120 0.011 0.000 0.314 38 V C -0.573 175.460 176.094 -0.101 0.000 1.117 38 V CA -1.625 60.650 62.300 -0.041 0.000 1.014 38 V CB 0.580 32.427 31.823 0.040 0.000 1.057 38 V HN -0.011 nan 8.190 nan 0.000 0.438 39 Y N 2.286 122.576 120.300 -0.018 0.000 2.717 39 Y HA 0.181 4.738 4.550 0.012 0.000 0.330 39 Y C -1.257 174.503 175.900 -0.233 0.000 1.217 39 Y CA -0.604 57.429 58.100 -0.112 0.000 1.506 39 Y CB 0.052 38.446 38.460 -0.110 0.000 1.268 39 Y HN 0.506 nan 8.280 nan 0.000 0.561 40 P HA -0.356 nan 4.420 nan 0.000 0.219 40 P C 1.765 178.846 177.300 -0.366 0.000 1.158 40 P CA 2.469 65.369 63.100 -0.334 0.000 0.895 40 P CB -0.059 31.305 31.700 -0.561 0.000 0.792 41 M N -2.096 117.163 119.600 -0.569 0.000 2.435 41 M HA -0.070 4.417 4.480 0.011 0.000 0.262 41 M C 1.403 177.666 176.300 -0.062 0.000 1.065 41 M CA 1.855 56.917 55.300 -0.396 0.000 1.076 41 M CB -1.339 30.932 32.600 -0.547 0.000 1.403 41 M HN -0.170 nan 8.290 nan 0.000 0.454 42 R N 1.283 121.768 120.500 -0.025 0.000 2.275 42 R HA 0.244 4.591 4.340 0.011 0.000 0.199 42 R C 0.377 176.718 176.300 0.069 0.000 0.989 42 R CA 0.114 56.250 56.100 0.060 0.000 1.016 42 R CB -0.175 30.176 30.300 0.085 0.000 0.918 42 R HN 0.408 nan 8.270 nan 0.000 0.473 43 S N 0.365 116.083 115.700 0.031 0.000 2.558 43 S HA -0.113 4.364 4.470 0.011 0.000 0.291 43 S C 0.851 175.514 174.600 0.106 0.000 1.306 43 S CA -0.089 58.144 58.200 0.055 0.000 1.056 43 S CB 0.556 63.768 63.200 0.021 0.000 0.836 43 S HN 0.373 nan 8.310 nan 0.000 0.504 44 H N 2.773 121.857 119.070 0.023 0.000 2.457 44 H HA -0.090 4.472 4.556 0.010 0.000 0.297 44 H C 1.874 177.234 175.328 0.055 0.000 1.092 44 H CA 2.206 58.273 56.048 0.033 0.000 1.309 44 H CB -0.555 29.210 29.762 0.005 0.000 1.382 44 H HN 0.669 nan 8.280 nan 0.000 0.535 45 T N -0.666 113.904 114.554 0.027 0.000 2.751 45 T HA -0.215 4.142 4.350 0.011 0.000 0.268 45 T C 2.139 176.828 174.700 -0.019 0.000 1.045 45 T CA 1.274 63.377 62.100 0.005 0.000 1.142 45 T CB -0.732 68.171 68.868 0.058 0.000 0.851 45 T HN 0.248 nan 8.240 nan 0.000 0.474 46 V N 0.919 120.837 119.914 0.008 0.000 2.828 46 V HA -0.059 4.068 4.120 0.011 0.000 0.260 46 V C 2.238 178.343 176.094 0.018 0.000 1.101 46 V CA 1.598 63.945 62.300 0.078 0.000 1.123 46 V CB -0.658 31.260 31.823 0.159 0.000 0.704 46 V HN 0.562 nan 8.190 nan 0.000 0.493 47 A N -0.772 121.967 122.820 -0.135 0.000 2.308 47 A HA 0.649 4.975 4.320 0.011 0.000 0.217 47 A C 1.190 178.746 177.584 -0.046 0.000 1.216 47 A CA 0.582 52.545 52.037 -0.124 0.000 0.864 47 A CB -0.239 18.591 19.000 -0.283 0.000 0.902 47 A HN 0.651 nan 8.150 nan 0.000 0.499 48 A N 0.677 123.479 122.820 -0.031 0.000 2.425 48 A HA 0.479 4.805 4.320 0.011 0.000 0.249 48 A C 0.904 178.538 177.584 0.083 0.000 1.084 48 A CA 0.237 52.303 52.037 0.047 0.000 0.781 48 A CB 0.238 19.274 19.000 0.060 0.000 1.019 48 A HN 0.546 nan 8.150 nan 0.000 0.490 49 E N 2.756 123.024 120.200 0.112 0.000 2.354 49 E HA 0.065 4.422 4.350 0.011 0.000 0.203 49 E C 1.708 178.358 176.600 0.085 0.000 0.841 49 E CA 0.654 57.133 56.400 0.132 0.000 1.046 49 E CB -0.432 29.384 29.700 0.193 0.000 1.040 49 E HN 0.661 nan 8.360 nan 0.000 0.504 50 G N 1.853 110.647 108.800 -0.010 0.000 2.459 50 G HA2 0.153 4.120 3.960 0.011 0.000 0.217 50 G HA3 0.153 4.120 3.960 0.011 0.000 0.217 50 G C 0.853 175.410 174.900 -0.572 0.000 1.183 50 G CA 1.166 45.981 45.100 -0.475 0.000 0.776 50 G HN 0.651 nan 8.290 nan 0.000 0.552 51 G N -2.138 106.527 108.800 -0.225 0.000 2.334 51 G HA2 0.323 4.289 3.960 0.011 0.000 0.315 51 G HA3 0.323 4.289 3.960 0.011 0.000 0.315 51 G C -0.951 174.005 174.900 0.092 0.000 1.284 51 G CA 0.196 45.322 45.100 0.044 0.000 0.985 51 G HN 0.745 nan 8.290 nan 0.000 0.504 52 S N -0.648 115.191 115.700 0.232 0.000 2.473 52 S HA 0.769 5.245 4.470 0.011 0.000 0.307 52 S C 0.398 175.033 174.600 0.059 0.000 1.094 52 S CA 0.462 58.762 58.200 0.166 0.000 1.070 52 S CB 1.103 64.443 63.200 0.233 0.000 1.019 52 S HN 1.908 nan 8.310 nan 0.000 0.480 53 A N 3.106 125.963 122.820 0.061 0.000 2.320 53 A HA 0.812 5.139 4.320 0.011 0.000 0.287 53 A C 0.008 177.473 177.584 -0.198 0.000 1.181 53 A CA -0.281 51.751 52.037 -0.009 0.000 0.831 53 A CB 0.144 19.201 19.000 0.094 0.000 1.102 53 A HN 1.240 nan 8.150 nan 0.000 0.513 54 A N 2.242 124.897 122.820 -0.274 0.000 2.555 54 A HA 0.555 4.882 4.320 0.011 0.000 0.297 54 A C -0.774 176.763 177.584 -0.078 0.000 1.060 54 A CA -0.476 51.365 52.037 -0.326 0.000 0.710 54 A CB 0.796 19.356 19.000 -0.734 0.000 1.282 54 A HN 1.163 nan 8.150 nan 0.000 0.399 55 V N 1.953 121.766 119.914 -0.169 0.000 2.450 55 V HA 0.370 4.496 4.120 0.011 0.000 0.281 55 V C 1.130 177.155 176.094 -0.115 0.000 1.019 55 V CA 1.496 63.646 62.300 -0.249 0.000 1.062 55 V CB 0.430 31.866 31.823 -0.644 0.000 0.979 55 V HN 1.410 nan 8.190 nan 0.000 0.477 56 A N 4.227 126.990 122.820 -0.095 0.000 2.027 56 A HA 0.250 4.576 4.320 0.011 0.000 0.196 56 A C 0.828 178.307 177.584 -0.175 0.000 1.573 56 A CA -0.164 51.815 52.037 -0.096 0.000 1.097 56 A CB 0.264 19.178 19.000 -0.142 0.000 1.196 56 A HN 0.646 nan 8.150 nan 0.000 0.462 57 Q N 0.886 120.550 119.800 -0.226 0.000 2.299 57 Q HA 0.151 4.497 4.340 0.011 0.000 0.246 57 Q C -0.430 175.423 176.000 -0.245 0.000 0.935 57 Q CA -0.329 55.324 55.803 -0.250 0.000 0.887 57 Q CB 0.945 29.455 28.738 -0.380 0.000 1.223 57 Q HN 0.360 nan 8.270 nan 0.000 0.439 58 D N 0.767 121.106 120.400 -0.102 0.000 2.219 58 D HA -0.135 4.511 4.640 0.011 0.000 0.205 58 D C 1.385 177.688 176.300 0.006 0.000 0.970 58 D CA 1.363 55.345 54.000 -0.031 0.000 0.851 58 D CB 0.191 41.007 40.800 0.026 0.000 0.943 58 D HN 0.640 nan 8.370 nan 0.000 0.488 59 H N -1.255 117.786 119.070 -0.048 0.000 2.548 59 H HA 0.179 4.741 4.556 0.011 0.000 0.265 59 H C 0.574 175.873 175.328 -0.048 0.000 0.969 59 H CA -0.366 55.655 56.048 -0.045 0.000 1.155 59 H CB 0.132 29.850 29.762 -0.073 0.000 1.394 59 H HN -0.174 nan 8.280 nan 0.000 0.570 60 D N 0.956 121.169 120.400 -0.313 0.000 2.377 60 D HA 0.277 4.924 4.640 0.011 0.000 0.245 60 D C -0.100 176.224 176.300 0.039 0.000 1.196 60 D CA -0.002 53.891 54.000 -0.178 0.000 0.962 60 D CB 1.507 42.132 40.800 -0.292 0.000 1.127 60 D HN 0.326 nan 8.370 nan 0.000 0.471 61 S N 0.451 116.274 115.700 0.205 0.000 2.550 61 S HA 0.261 4.737 4.470 0.011 0.000 0.270 61 S C 0.547 175.102 174.600 -0.075 0.000 1.145 61 S CA -0.695 57.510 58.200 0.008 0.000 0.852 61 S CB 0.285 63.488 63.200 0.005 0.000 1.119 61 S HN 0.314 nan 8.310 nan 0.000 0.465 62 F N 1.527 121.454 119.950 -0.038 0.000 2.202 62 F HA -0.031 4.503 4.527 0.011 0.000 0.301 62 F C 2.455 178.231 175.800 -0.040 0.000 1.082 62 F CA 1.611 59.531 58.000 -0.133 0.000 1.313 62 F CB -0.124 38.559 39.000 -0.528 0.000 1.024 62 F HN 0.724 nan 8.300 nan 0.000 0.495 63 E N -0.007 120.229 120.200 0.060 0.000 2.077 63 E HA -0.221 4.136 4.350 0.011 0.000 0.193 63 E C 1.958 178.613 176.600 0.092 0.000 0.989 63 E CA 1.672 58.065 56.400 -0.011 0.000 0.800 63 E CB -0.563 29.002 29.700 -0.224 0.000 0.746 63 E HN 0.458 nan 8.360 nan 0.000 0.452 64 Y N -0.278 120.117 120.300 0.160 0.000 2.128 64 Y HA -0.181 4.376 4.550 0.011 0.000 0.284 64 Y C 2.611 178.655 175.900 0.239 0.000 1.154 64 Y CA 1.902 60.099 58.100 0.161 0.000 1.149 64 Y CB -0.944 37.561 38.460 0.075 0.000 0.976 64 Y HN 0.363 nan 8.280 nan 0.000 0.505 65 H N -1.242 117.974 119.070 0.243 0.000 2.457 65 H HA -0.190 4.373 4.556 0.011 0.000 0.294 65 H C 2.069 177.530 175.328 0.220 0.000 1.064 65 H CA 1.014 57.173 56.048 0.186 0.000 1.330 65 H CB -0.226 29.602 29.762 0.110 0.000 1.395 65 H HN 0.382 nan 8.280 nan 0.000 0.541 66 F N 0.702 120.691 119.950 0.064 0.000 2.060 66 F HA -0.187 4.347 4.527 0.010 0.000 0.295 66 F C 2.696 178.495 175.800 -0.001 0.000 1.120 66 F CA 2.070 60.066 58.000 -0.008 0.000 1.205 66 F CB -0.700 38.320 39.000 0.033 0.000 0.986 66 F HN 0.186 nan 8.300 nan 0.000 0.470 67 H N -0.290 118.881 119.070 0.170 0.000 2.387 67 H HA -0.144 4.419 4.556 0.011 0.000 0.299 67 H C 1.747 177.023 175.328 -0.086 0.000 1.090 67 H CA 2.258 58.317 56.048 0.018 0.000 1.332 67 H CB -0.439 29.419 29.762 0.160 0.000 1.386 67 H HN 0.263 nan 8.280 nan 0.000 0.516 68 D N -1.130 119.332 120.400 0.105 0.000 2.144 68 D HA -0.115 4.531 4.640 0.011 0.000 0.199 68 D C 1.996 178.234 176.300 -0.103 0.000 0.984 68 D CA 1.671 55.700 54.000 0.049 0.000 0.834 68 D CB -0.249 40.661 40.800 0.185 0.000 0.955 68 D HN 0.406 nan 8.370 nan 0.000 0.465 69 T N -0.417 114.032 114.554 -0.175 0.000 2.809 69 T HA -0.035 4.321 4.350 0.011 0.000 0.260 69 T C 2.186 176.637 174.700 -0.416 0.000 1.039 69 T CA 0.508 62.462 62.100 -0.244 0.000 1.141 69 T CB -0.204 68.510 68.868 -0.257 0.000 0.869 69 T HN -0.051 nan 8.240 nan 0.000 0.437 70 V N 1.932 121.461 119.914 -0.641 0.000 2.261 70 V HA -0.141 3.985 4.120 0.011 0.000 0.246 70 V C 2.934 178.417 176.094 -1.018 0.000 1.047 70 V CA 1.774 63.569 62.300 -0.842 0.000 1.015 70 V CB -1.231 29.965 31.823 -1.045 0.000 0.642 70 V HN 0.509 nan 8.190 nan 0.000 0.446 71 A N 0.591 122.737 122.820 -1.123 0.000 1.940 71 A HA -0.121 4.206 4.320 0.011 0.000 0.219 71 A C 2.405 179.740 177.584 -0.415 0.000 1.176 71 A CA 1.977 53.416 52.037 -0.997 0.000 0.631 71 A CB -1.265 17.326 19.000 -0.681 0.000 0.814 71 A HN 0.554 nan 8.150 nan 0.000 0.446 72 G N -0.775 107.835 108.800 -0.316 0.000 2.432 72 G HA2 0.070 4.036 3.960 0.011 0.000 0.219 72 G HA3 0.070 4.036 3.960 0.011 0.000 0.219 72 G C 1.221 176.033 174.900 -0.147 0.000 1.135 72 G CA 1.099 46.102 45.100 -0.162 0.000 0.767 72 G HN 0.830 nan 8.290 nan 0.000 0.550 73 G N -0.704 107.963 108.800 -0.221 0.000 3.371 73 G HA2 0.318 4.285 3.960 0.011 0.000 0.248 73 G HA3 0.318 4.285 3.960 0.011 0.000 0.248 73 G C 0.264 175.072 174.900 -0.152 0.000 1.161 73 G CA 0.425 45.411 45.100 -0.190 0.000 0.796 73 G HN 0.175 nan 8.290 nan 0.000 0.539 74 D N -0.678 119.680 120.400 -0.069 0.000 2.751 74 D HA -0.175 4.471 4.640 0.011 0.000 0.233 74 D C 0.680 177.193 176.300 0.355 0.000 1.149 74 D CA 0.888 55.005 54.000 0.196 0.000 0.682 74 D CB -1.208 39.666 40.800 0.123 0.000 1.068 74 D HN 0.604 nan 8.370 nan 0.000 0.429 75 W N -2.276 118.945 121.300 -0.131 0.000 3.160 75 W HA -0.293 4.374 4.660 0.011 0.000 0.299 75 W C 0.858 177.296 176.519 -0.137 0.000 1.141 75 W CA -0.079 57.194 57.345 -0.119 0.000 0.612 75 W CB -1.701 27.714 29.460 -0.075 0.000 2.186 75 W HN 0.244 nan 8.180 nan 0.000 1.364 76 L N 0.317 121.516 121.223 -0.040 0.000 2.737 76 L HA 0.138 4.485 4.340 0.011 0.000 0.236 76 L C 0.780 177.554 176.870 -0.160 0.000 1.219 76 L CA 0.843 55.579 54.840 -0.172 0.000 1.021 76 L CB -0.651 41.241 42.059 -0.280 0.000 1.291 76 L HN -0.079 nan 8.230 nan 0.000 0.470 77 C N 0.497 119.720 119.300 -0.127 0.000 2.341 77 C HA 0.270 4.736 4.460 0.011 0.000 0.338 77 C C 0.831 175.810 174.990 -0.018 0.000 1.257 77 C CA -1.064 57.888 59.018 -0.110 0.000 1.883 77 C CB 1.386 28.977 27.740 -0.248 0.000 2.334 77 C HN 0.294 nan 8.230 nan 0.000 0.524 78 E N 2.522 122.748 120.200 0.044 0.000 2.029 78 E HA 0.027 4.383 4.350 0.011 0.000 0.276 78 E C 0.828 177.468 176.600 0.067 0.000 1.163 78 E CA 0.309 56.759 56.400 0.084 0.000 0.909 78 E CB 0.530 30.273 29.700 0.072 0.000 1.046 78 E HN 0.696 nan 8.360 nan 0.000 0.406 79 Q N 1.443 121.302 119.800 0.099 0.000 2.167 79 Q HA -0.199 4.147 4.340 0.011 0.000 0.202 79 Q C 1.260 177.449 176.000 0.314 0.000 0.970 79 Q CA 1.780 57.691 55.803 0.179 0.000 0.855 79 Q CB 0.046 28.946 28.738 0.270 0.000 0.911 79 Q HN 0.533 nan 8.270 nan 0.000 0.438 80 D N -0.689 119.845 120.400 0.224 0.000 2.310 80 D HA -0.121 4.526 4.640 0.011 0.000 0.212 80 D C 1.521 177.968 176.300 0.246 0.000 0.965 80 D CA 0.661 54.788 54.000 0.213 0.000 0.879 80 D CB -0.028 40.855 40.800 0.139 0.000 0.921 80 D HN 0.001 nan 8.370 nan 0.000 0.510 81 V N 0.193 120.240 119.914 0.222 0.000 2.446 81 V HA -0.146 3.980 4.120 0.011 0.000 0.244 81 V C 2.597 178.923 176.094 0.388 0.000 1.039 81 V CA 0.942 63.407 62.300 0.275 0.000 1.045 81 V CB -0.004 31.905 31.823 0.144 0.000 0.681 81 V HN 0.203 nan 8.190 nan 0.000 0.459 82 V N 0.567 120.640 119.914 0.265 0.000 2.287 82 V HA -0.326 3.800 4.120 0.011 0.000 0.248 82 V C 2.319 178.704 176.094 0.486 0.000 1.053 82 V CA 2.530 64.991 62.300 0.269 0.000 1.027 82 V CB -0.789 30.988 31.823 -0.077 0.000 0.646 82 V HN 0.600 nan 8.190 nan 0.000 0.447 83 D N -0.995 119.753 120.400 0.580 0.000 2.104 83 D HA -0.258 4.389 4.640 0.011 0.000 0.194 83 D C 2.008 178.564 176.300 0.428 0.000 0.994 83 D CA 1.675 55.958 54.000 0.471 0.000 0.830 83 D CB -0.272 40.699 40.800 0.286 0.000 0.959 83 D HN 0.567 nan 8.370 nan 0.000 0.452 84 Y N -0.416 120.059 120.300 0.293 0.000 2.181 84 Y HA -0.217 4.340 4.550 0.012 0.000 0.288 84 Y C 1.986 178.063 175.900 0.294 0.000 1.146 84 Y CA 1.835 60.089 58.100 0.257 0.000 1.164 84 Y CB -0.552 37.990 38.460 0.137 0.000 0.982 84 Y HN 0.075 nan 8.280 nan 0.000 0.515 85 F N 0.615 120.744 119.950 0.299 0.000 2.051 85 F HA -0.218 4.316 4.527 0.010 0.000 0.296 85 F C 2.464 178.323 175.800 0.098 0.000 1.122 85 F CA 2.382 60.499 58.000 0.195 0.000 1.201 85 F CB -1.214 37.990 39.000 0.341 0.000 0.978 85 F HN -0.022 nan 8.300 nan 0.000 0.472 86 V N -0.843 119.025 119.914 -0.076 0.000 2.324 86 V HA -0.346 3.781 4.120 0.011 0.000 0.250 86 V C 2.431 178.456 176.094 -0.114 0.000 1.060 86 V CA 2.511 64.728 62.300 -0.138 0.000 1.042 86 V CB -1.459 30.391 31.823 0.046 0.000 0.650 86 V HN 0.505 nan 8.190 nan 0.000 0.450 87 H N -0.048 118.861 119.070 -0.269 0.000 2.462 87 H HA -0.023 4.539 4.556 0.010 0.000 0.292 87 H C 2.019 176.955 175.328 -0.652 0.000 1.049 87 H CA 2.098 57.701 56.048 -0.742 0.000 1.334 87 H CB -0.095 29.165 29.762 -0.837 0.000 1.404 87 H HN 0.660 nan 8.280 nan 0.000 0.544 88 H N -1.561 117.268 119.070 -0.402 0.000 2.539 88 H HA 0.068 4.631 4.556 0.012 0.000 0.269 88 H C 2.092 177.230 175.328 -0.317 0.000 0.980 88 H CA -0.075 55.732 56.048 -0.402 0.000 1.152 88 H CB 0.258 29.662 29.762 -0.597 0.000 1.407 88 H HN 0.197 nan 8.280 nan 0.000 0.564 89 C N 0.837 119.986 119.300 -0.252 0.000 2.462 89 C HA -0.058 4.408 4.460 0.011 0.000 0.278 89 C C -0.124 174.689 174.990 -0.294 0.000 1.253 89 C CA 0.795 59.633 59.018 -0.300 0.000 1.713 89 C CB -0.799 26.717 27.740 -0.373 0.000 2.049 89 C HN 0.479 nan 8.230 nan 0.000 0.477 90 P HA -0.041 nan 4.420 nan 0.000 0.219 90 P C 1.397 178.589 177.300 -0.179 0.000 1.150 90 P CA 1.686 64.684 63.100 -0.170 0.000 0.814 90 P CB -0.319 31.409 31.700 0.046 0.000 0.787 91 T N -0.565 113.901 114.554 -0.147 0.000 2.746 91 T HA -0.122 4.234 4.350 0.011 0.000 0.267 91 T C 1.560 176.159 174.700 -0.169 0.000 1.039 91 T CA 1.192 63.210 62.100 -0.137 0.000 1.142 91 T CB -0.583 68.211 68.868 -0.123 0.000 0.866 91 T HN 0.120 nan 8.240 nan 0.000 0.444 92 E N 0.575 120.665 120.200 -0.183 0.000 2.112 92 E HA 0.107 4.464 4.350 0.011 0.000 0.190 92 E C 2.036 178.535 176.600 -0.168 0.000 0.979 92 E CA 0.704 57.018 56.400 -0.143 0.000 0.814 92 E CB -0.277 29.378 29.700 -0.075 0.000 0.762 92 E HN 0.340 nan 8.360 nan 0.000 0.460 93 M N 0.012 119.385 119.600 -0.379 0.000 2.200 93 M HA -0.040 4.446 4.480 0.011 0.000 0.265 93 M C 2.073 178.200 176.300 -0.288 0.000 1.066 93 M CA 1.243 56.219 55.300 -0.541 0.000 1.127 93 M CB -0.591 30.998 32.600 -1.685 0.000 1.379 93 M HN -0.046 nan 8.290 nan 0.000 0.420 94 T N -0.612 113.787 114.554 -0.259 0.000 2.708 94 T HA -0.190 4.166 4.350 0.011 0.000 0.266 94 T C 1.725 176.389 174.700 -0.059 0.000 1.037 94 T CA 1.539 63.633 62.100 -0.010 0.000 1.146 94 T CB -0.217 68.649 68.868 -0.005 0.000 0.865 94 T HN 0.289 nan 8.240 nan 0.000 0.435 95 Q N 0.833 120.514 119.800 -0.199 0.000 2.135 95 Q HA -0.006 4.340 4.340 0.011 0.000 0.204 95 Q C 2.063 177.770 176.000 -0.488 0.000 0.981 95 Q CA 1.440 56.968 55.803 -0.458 0.000 0.856 95 Q CB -0.755 27.645 28.738 -0.564 0.000 0.902 95 Q HN 0.515 nan 8.270 nan 0.000 0.425 96 L N 0.215 121.394 121.223 -0.074 0.000 2.017 96 L HA -0.171 4.175 4.340 0.011 0.000 0.208 96 L C 2.594 179.626 176.870 0.269 0.000 1.073 96 L CA 1.638 56.619 54.840 0.234 0.000 0.745 96 L CB -0.553 41.735 42.059 0.382 0.000 0.894 96 L HN 0.368 nan 8.230 nan 0.000 0.432 97 E N 0.665 121.110 120.200 0.409 0.000 2.085 97 E HA -0.241 4.115 4.350 0.011 0.000 0.194 97 E C 2.277 178.980 176.600 0.171 0.000 0.994 97 E CA 1.437 58.087 56.400 0.416 0.000 0.801 97 E CB -0.180 29.838 29.700 0.530 0.000 0.743 97 E HN 0.479 nan 8.360 nan 0.000 0.453 98 L N -0.437 120.812 121.223 0.043 0.000 2.131 98 L HA -0.168 4.178 4.340 0.011 0.000 0.210 98 L C 2.226 179.119 176.870 0.037 0.000 1.092 98 L CA 0.860 55.674 54.840 -0.043 0.000 0.759 98 L CB -0.374 41.563 42.059 -0.204 0.000 0.903 98 L HN 0.257 nan 8.230 nan 0.000 0.435 99 W N -0.122 121.216 121.300 0.064 0.000 3.077 99 W HA 0.208 4.875 4.660 0.011 0.000 0.245 99 W C 1.438 177.956 176.519 -0.001 0.000 1.316 99 W CA 0.934 58.298 57.345 0.032 0.000 1.537 99 W CB -0.779 28.707 29.460 0.044 0.000 1.131 99 W HN 0.343 nan 8.180 nan 0.000 0.695 100 G N -0.041 108.867 108.800 0.181 0.000 2.131 100 G HA2 -0.257 3.710 3.960 0.011 0.000 0.201 100 G HA3 -0.257 3.710 3.960 0.011 0.000 0.201 100 G C 0.050 174.937 174.900 -0.020 0.000 1.000 100 G CA -0.409 44.734 45.100 0.071 0.000 0.680 100 G HN 0.163 nan 8.290 nan 0.000 0.514 101 C N 1.667 120.930 119.300 -0.062 0.000 2.648 101 C HA 0.490 4.956 4.460 0.011 0.000 0.415 101 C C -1.103 173.631 174.990 -0.426 0.000 1.366 101 C CA -1.012 57.803 59.018 -0.340 0.000 1.756 101 C CB 0.151 27.538 27.740 -0.588 0.000 2.549 101 C HN 0.344 nan 8.230 nan 0.000 0.597 102 P HA 0.098 nan 4.420 nan 0.000 0.226 102 P C -0.786 176.295 177.300 -0.364 0.000 1.783 102 P CA 0.057 62.915 63.100 -0.403 0.000 0.980 102 P CB -0.435 30.937 31.700 -0.547 0.000 1.967 103 W N 0.613 121.827 121.300 -0.142 0.000 2.231 103 W HA 0.037 4.703 4.660 0.010 0.000 0.341 103 W C 0.949 177.310 176.519 -0.263 0.000 1.298 103 W CA 0.004 57.252 57.345 -0.162 0.000 1.266 103 W CB 0.067 29.485 29.460 -0.069 0.000 1.172 103 W HN 0.066 nan 8.180 nan 0.000 0.568 104 S N 3.628 119.234 115.700 -0.156 0.000 2.564 104 S HA 0.350 4.826 4.470 0.011 0.000 0.278 104 S C 0.199 174.620 174.600 -0.298 0.000 1.333 104 S CA -0.669 57.350 58.200 -0.302 0.000 1.048 104 S CB 0.389 63.277 63.200 -0.520 0.000 0.900 104 S HN 0.253 nan 8.310 nan 0.000 0.505 105 R N 1.910 122.307 120.500 -0.171 0.000 2.803 105 R HA 0.435 4.781 4.340 0.011 0.000 0.276 105 R C -0.302 175.943 176.300 -0.093 0.000 0.978 105 R CA -0.870 55.147 56.100 -0.138 0.000 0.939 105 R CB 1.206 31.454 30.300 -0.087 0.000 1.179 105 R HN 0.594 nan 8.270 nan 0.000 0.472 106 R N 1.317 121.760 120.500 -0.095 0.000 2.694 106 R HA 0.089 4.436 4.340 0.011 0.000 0.268 106 R C -1.464 174.811 176.300 -0.043 0.000 1.061 106 R CA -1.383 54.684 56.100 -0.056 0.000 1.133 106 R CB 0.163 30.422 30.300 -0.068 0.000 1.020 106 R HN 0.269 nan 8.270 nan 0.000 0.475 107 P HA -0.160 nan 4.420 nan 0.000 0.225 107 P C 0.361 177.647 177.300 -0.024 0.000 1.148 107 P CA 1.132 64.221 63.100 -0.018 0.000 0.779 107 P CB 0.062 31.756 31.700 -0.009 0.000 0.780 108 D N -1.258 119.123 120.400 -0.032 0.000 2.363 108 D HA -0.012 4.634 4.640 0.011 0.000 0.226 108 D C 1.476 177.752 176.300 -0.040 0.000 1.020 108 D CA 0.923 54.903 54.000 -0.034 0.000 0.892 108 D CB -0.851 39.927 40.800 -0.036 0.000 0.900 108 D HN 0.238 nan 8.370 nan 0.000 0.531 109 G N 0.206 108.979 108.800 -0.045 0.000 2.195 109 G HA2 -0.291 3.675 3.960 0.011 0.000 0.246 109 G HA3 -0.291 3.675 3.960 0.011 0.000 0.246 109 G C 0.416 175.276 174.900 -0.068 0.000 0.984 109 G CA 0.475 45.547 45.100 -0.047 0.000 0.633 109 G HN 0.829 nan 8.290 nan 0.000 0.525 110 S N -0.176 115.470 115.700 -0.090 0.000 2.617 110 S HA 0.656 5.133 4.470 0.011 0.000 0.269 110 S C 0.677 175.160 174.600 -0.195 0.000 1.292 110 S CA -0.069 58.049 58.200 -0.137 0.000 1.010 110 S CB 1.845 64.961 63.200 -0.140 0.000 0.944 110 S HN 1.819 nan 8.310 nan 0.000 0.536 111 V N 0.793 120.520 119.914 -0.311 0.000 2.521 111 V HA 0.359 4.486 4.120 0.011 0.000 0.286 111 V C 0.391 176.207 176.094 -0.464 0.000 1.034 111 V CA -0.874 61.163 62.300 -0.437 0.000 1.045 111 V CB -0.383 31.001 31.823 -0.732 0.000 0.974 111 V HN 0.867 nan 8.190 nan 0.000 0.480 112 N N 3.516 122.008 118.700 -0.347 0.000 2.482 112 N HA 0.477 5.224 4.740 0.011 0.000 0.260 112 N C -0.439 174.977 175.510 -0.156 0.000 1.236 112 N CA 0.185 53.114 53.050 -0.201 0.000 0.938 112 N CB 1.463 39.902 38.487 -0.080 0.000 1.128 112 N HN 1.042 nan 8.380 nan 0.000 0.448 113 V N -0.121 119.835 119.914 0.070 0.000 3.040 113 V HA 0.821 4.947 4.120 0.011 0.000 0.312 113 V C -0.357 175.897 176.094 0.266 0.000 1.115 113 V CA -1.004 61.416 62.300 0.199 0.000 0.998 113 V CB 1.871 33.659 31.823 -0.059 0.000 1.042 113 V HN 0.870 nan 8.190 nan 0.000 0.433 114 R N 1.460 122.063 120.500 0.172 0.000 2.922 114 R HA 0.719 5.065 4.340 0.011 0.000 0.256 114 R C -0.668 175.717 176.300 0.142 0.000 1.138 114 R CA -1.110 55.013 56.100 0.039 0.000 0.995 114 R CB 1.800 31.972 30.300 -0.213 0.000 1.226 114 R HN 0.817 nan 8.270 nan 0.000 0.481 115 R N 0.901 121.487 120.500 0.144 0.000 2.346 115 R HA 0.419 4.766 4.340 0.011 0.000 0.311 115 R C -1.563 174.873 176.300 0.226 0.000 0.983 115 R CA -0.335 55.856 56.100 0.152 0.000 0.880 115 R CB 0.797 31.126 30.300 0.047 0.000 1.100 115 R HN 0.533 nan 8.270 nan 0.000 0.453 116 F N 1.102 121.063 119.950 0.018 0.000 2.591 116 F HA 0.369 4.902 4.527 0.011 0.000 0.309 116 F C 0.510 176.329 175.800 0.031 0.000 1.098 116 F CA -0.058 57.959 58.000 0.028 0.000 0.937 116 F CB 2.505 41.536 39.000 0.051 0.000 1.250 116 F HN 0.803 nan 8.300 nan 0.000 0.447 117 G N 1.818 110.662 108.800 0.075 0.000 2.314 117 G HA2 0.110 4.077 3.960 0.011 0.000 0.292 117 G HA3 0.110 4.077 3.960 0.011 0.000 0.292 117 G C 1.024 175.940 174.900 0.027 0.000 1.059 117 G CA 0.650 45.779 45.100 0.049 0.000 0.982 117 G HN 2.018 nan 8.290 nan 0.000 0.505 118 G N -1.091 107.700 108.800 -0.016 0.000 2.244 118 G HA2 -0.330 3.636 3.960 0.011 0.000 0.274 118 G HA3 -0.330 3.636 3.960 0.011 0.000 0.274 118 G C 0.692 175.608 174.900 0.028 0.000 1.002 118 G CA 1.169 46.264 45.100 -0.009 0.000 0.740 118 G HN 1.177 nan 8.290 nan 0.000 0.516 119 M N -0.426 119.208 119.600 0.056 0.000 2.248 119 M HA 0.166 4.653 4.480 0.011 0.000 0.345 119 M C 1.709 178.042 176.300 0.055 0.000 1.243 119 M CA 0.589 55.935 55.300 0.077 0.000 1.090 119 M CB 0.805 33.464 32.600 0.099 0.000 1.683 119 M HN 0.273 nan 8.290 nan 0.000 0.450 120 K N 3.139 123.572 120.400 0.055 0.000 1.969 120 K HA -0.059 4.268 4.320 0.011 0.000 0.216 120 K C 0.297 176.905 176.600 0.013 0.000 1.048 120 K CA 1.126 57.430 56.287 0.028 0.000 0.948 120 K CB 0.260 32.768 32.500 0.012 0.000 0.726 120 K HN 0.494 nan 8.250 nan 0.000 0.442 121 I N 3.554 124.114 120.570 -0.016 0.000 2.337 121 I HA 0.008 4.185 4.170 0.011 0.000 0.291 121 I C -0.239 175.856 176.117 -0.037 0.000 1.046 121 I CA -0.382 60.890 61.300 -0.046 0.000 1.324 121 I CB 0.777 38.672 38.000 -0.174 0.000 1.409 121 I HN 0.367 nan 8.210 nan 0.000 0.494 122 E N 8.036 128.232 120.200 -0.007 0.000 2.415 122 E HA -0.006 4.351 4.350 0.011 0.000 0.260 122 E C 0.236 176.823 176.600 -0.022 0.000 1.016 122 E CA -0.087 56.321 56.400 0.014 0.000 0.924 122 E CB 0.359 30.083 29.700 0.040 0.000 0.961 122 E HN 0.732 nan 8.360 nan 0.000 0.459 123 R N 0.826 121.333 120.500 0.011 0.000 2.538 123 R HA 0.156 4.503 4.340 0.011 0.000 0.372 123 R C -0.418 175.981 176.300 0.165 0.000 0.950 123 R CA -0.524 55.586 56.100 0.017 0.000 1.168 123 R CB 0.067 30.294 30.300 -0.122 0.000 1.542 123 R HN 0.169 nan 8.270 nan 0.000 0.536 124 T N 2.574 117.236 114.554 0.180 0.000 2.776 124 T HA 0.142 4.499 4.350 0.011 0.000 0.292 124 T C -0.827 174.100 174.700 0.378 0.000 0.921 124 T CA -0.251 61.989 62.100 0.233 0.000 1.038 124 T CB -0.056 68.900 68.868 0.146 0.000 0.910 124 T HN 0.131 nan 8.240 nan 0.000 0.536 125 W N 4.951 126.242 121.300 -0.015 0.000 2.210 125 W HA 0.459 5.126 4.660 0.012 0.000 0.330 125 W C 0.052 176.767 176.519 0.328 0.000 1.334 125 W CA -1.257 56.029 57.345 -0.099 0.000 1.227 125 W CB -0.450 28.516 29.460 -0.824 0.000 1.178 125 W HN 0.583 nan 8.180 nan 0.000 0.560 126 F N 0.295 120.526 119.950 0.469 0.000 2.596 126 F HA 0.783 5.316 4.527 0.010 0.000 0.311 126 F C -0.600 175.490 175.800 0.482 0.000 1.116 126 F CA -2.052 56.234 58.000 0.477 0.000 0.957 126 F CB 0.973 40.099 39.000 0.211 0.000 1.250 126 F HN 0.369 nan 8.300 nan 0.000 0.444 127 A N 3.693 126.710 122.820 0.328 0.000 2.444 127 A HA 0.773 5.100 4.320 0.011 0.000 0.332 127 A C 0.805 178.532 177.584 0.239 0.000 1.430 127 A CA 0.078 52.161 52.037 0.077 0.000 0.975 127 A CB -0.519 18.380 19.000 -0.169 0.000 1.147 127 A HN 2.495 nan 8.150 nan 0.000 0.524 128 A N 2.581 125.552 122.820 0.252 0.000 5.483 128 A HA -0.295 4.031 4.320 0.011 0.000 0.309 128 A C 1.158 178.967 177.584 0.375 0.000 1.898 128 A CA 1.913 54.143 52.037 0.322 0.000 0.716 128 A CB -1.451 17.682 19.000 0.221 0.000 1.309 128 A HN 1.477 nan 8.150 nan 0.000 0.380 129 D N -0.534 120.016 120.400 0.250 0.000 2.407 129 D HA 0.186 4.832 4.640 0.011 0.000 0.208 129 D C 0.532 176.925 176.300 0.155 0.000 1.083 129 D CA 0.859 54.989 54.000 0.216 0.000 0.844 129 D CB -0.115 40.814 40.800 0.216 0.000 0.967 129 D HN 0.615 nan 8.370 nan 0.000 0.506 130 K N 0.764 121.235 120.400 0.118 0.000 3.000 130 K HA 0.249 4.576 4.320 0.011 0.000 0.239 130 K C 0.428 177.120 176.600 0.153 0.000 1.269 130 K CA -0.134 56.172 56.287 0.032 0.000 1.220 130 K CB 0.548 32.963 32.500 -0.141 0.000 1.645 130 K HN -0.084 nan 8.250 nan 0.000 0.423 131 T N -0.072 114.581 114.554 0.164 0.000 2.821 131 T HA -0.124 4.232 4.350 0.011 0.000 0.267 131 T C 2.019 176.771 174.700 0.088 0.000 1.046 131 T CA 1.650 63.842 62.100 0.154 0.000 1.139 131 T CB -0.008 68.984 68.868 0.206 0.000 0.871 131 T HN 0.640 nan 8.240 nan 0.000 0.454 132 G N 0.878 109.728 108.800 0.083 0.000 2.394 132 G HA2 -0.139 3.828 3.960 0.011 0.000 0.214 132 G HA3 -0.139 3.828 3.960 0.011 0.000 0.214 132 G C 1.341 176.278 174.900 0.062 0.000 1.176 132 G CA 0.449 45.587 45.100 0.063 0.000 0.786 132 G HN 0.457 nan 8.290 nan 0.000 0.533 133 F N 1.543 121.425 119.950 -0.113 0.000 2.065 133 F HA -0.190 4.343 4.527 0.011 0.000 0.298 133 F C 2.641 178.351 175.800 -0.149 0.000 1.112 133 F CA 2.105 59.997 58.000 -0.181 0.000 1.212 133 F CB -0.482 38.275 39.000 -0.405 0.000 0.975 133 F HN 0.188 nan 8.300 nan 0.000 0.476 134 H N -0.001 118.881 119.070 -0.313 0.000 2.321 134 H HA -0.146 4.416 4.556 0.011 0.000 0.300 134 H C 2.463 177.610 175.328 -0.302 0.000 1.087 134 H CA 2.073 57.863 56.048 -0.430 0.000 1.319 134 H CB -0.737 28.838 29.762 -0.313 0.000 1.379 134 H HN 0.356 nan 8.280 nan 0.000 0.501 135 M N -0.227 119.321 119.600 -0.087 0.000 2.073 135 M HA -0.194 4.292 4.480 0.011 0.000 0.258 135 M C 2.503 178.805 176.300 0.003 0.000 1.070 135 M CA 1.442 56.714 55.300 -0.047 0.000 1.103 135 M CB -0.295 32.318 32.600 0.022 0.000 1.321 135 M HN 0.130 nan 8.290 nan 0.000 0.405 136 L N -0.570 120.660 121.223 0.011 0.000 2.056 136 L HA -0.208 4.139 4.340 0.011 0.000 0.207 136 L C 2.410 179.292 176.870 0.021 0.000 1.078 136 L CA 1.899 56.759 54.840 0.033 0.000 0.749 136 L CB -0.747 41.342 42.059 0.050 0.000 0.901 136 L HN 0.313 nan 8.230 nan 0.000 0.433 137 H N -1.676 117.288 119.070 -0.176 0.000 2.423 137 H HA -0.102 4.461 4.556 0.011 0.000 0.297 137 H C 1.931 177.212 175.328 -0.078 0.000 1.075 137 H CA 1.666 57.620 56.048 -0.157 0.000 1.342 137 H CB 0.161 29.619 29.762 -0.507 0.000 1.395 137 H HN 0.387 nan 8.280 nan 0.000 0.530 138 T N 0.968 115.523 114.554 0.001 0.000 2.770 138 T HA -0.068 4.289 4.350 0.011 0.000 0.263 138 T C 2.368 177.057 174.700 -0.018 0.000 1.039 138 T CA 0.474 62.572 62.100 -0.003 0.000 1.142 138 T CB -0.209 68.660 68.868 0.003 0.000 0.868 138 T HN 0.152 nan 8.240 nan 0.000 0.435 139 L N 0.074 121.304 121.223 0.012 0.000 2.012 139 L HA -0.080 4.267 4.340 0.011 0.000 0.210 139 L C 2.244 179.086 176.870 -0.048 0.000 1.073 139 L CA 1.477 56.300 54.840 -0.027 0.000 0.748 139 L CB -0.448 41.636 42.059 0.042 0.000 0.891 139 L HN 0.254 nan 8.230 nan 0.000 0.431 140 F N 0.519 120.387 119.950 -0.138 0.000 2.113 140 F HA -0.240 4.293 4.527 0.010 0.000 0.297 140 F C 2.570 178.284 175.800 -0.143 0.000 1.103 140 F CA 1.677 59.589 58.000 -0.147 0.000 1.248 140 F CB -0.386 38.496 39.000 -0.196 0.000 0.999 140 F HN 0.021 nan 8.300 nan 0.000 0.475 141 Q N -0.354 119.235 119.800 -0.352 0.000 2.084 141 Q HA -0.170 4.176 4.340 0.011 0.000 0.202 141 Q C 2.151 177.926 176.000 -0.374 0.000 0.978 141 Q CA 2.436 57.983 55.803 -0.426 0.000 0.844 141 Q CB -0.451 28.176 28.738 -0.186 0.000 0.898 141 Q HN 0.394 nan 8.270 nan 0.000 0.426 142 T N 0.472 114.838 114.554 -0.313 0.000 2.635 142 T HA -0.210 4.146 4.350 0.011 0.000 0.267 142 T C 1.983 176.493 174.700 -0.316 0.000 1.040 142 T CA 1.683 63.550 62.100 -0.390 0.000 1.156 142 T CB -0.441 68.019 68.868 -0.681 0.000 0.863 142 T HN 0.506 nan 8.240 nan 0.000 0.430 143 S N 1.955 117.512 115.700 -0.239 0.000 2.440 143 S HA -0.029 4.448 4.470 0.011 0.000 0.238 143 S C 2.007 176.576 174.600 -0.053 0.000 1.010 143 S CA 0.791 58.978 58.200 -0.023 0.000 0.972 143 S CB -0.909 62.240 63.200 -0.084 0.000 0.774 143 S HN 0.469 nan 8.310 nan 0.000 0.501 144 L N 1.728 122.781 121.223 -0.283 0.000 2.265 144 L HA -0.155 4.191 4.340 0.011 0.000 0.215 144 L C 2.995 179.720 176.870 -0.242 0.000 1.117 144 L CA 1.560 56.233 54.840 -0.279 0.000 0.782 144 L CB -0.793 41.045 42.059 -0.369 0.000 0.914 144 L HN 0.596 nan 8.230 nan 0.000 0.441 145 Q N 0.352 119.931 119.800 -0.367 0.000 2.369 145 Q HA -0.091 4.255 4.340 0.011 0.000 0.206 145 Q C 0.107 175.779 176.000 -0.547 0.000 0.963 145 Q CA 0.680 56.182 55.803 -0.502 0.000 0.894 145 Q CB -0.109 28.222 28.738 -0.677 0.000 0.965 145 Q HN 0.338 nan 8.270 nan 0.000 0.475 146 F N 2.632 122.504 119.950 -0.130 0.000 2.350 146 F HA 0.329 4.863 4.527 0.012 0.000 0.365 146 F C -1.549 174.200 175.800 -0.086 0.000 1.122 146 F CA -2.726 55.217 58.000 -0.096 0.000 1.139 146 F CB 1.270 40.209 39.000 -0.101 0.000 1.220 146 F HN -0.041 nan 8.300 nan 0.000 0.499 147 P HA -0.191 nan 4.420 nan 0.000 0.218 147 P C 0.863 178.184 177.300 0.034 0.000 1.149 147 P CA 1.277 64.389 63.100 0.021 0.000 0.817 147 P CB 0.271 31.974 31.700 0.005 0.000 0.785 148 Q N -0.061 119.777 119.800 0.063 0.000 2.368 148 Q HA -0.038 4.309 4.340 0.011 0.000 0.210 148 Q C 0.964 176.974 176.000 0.016 0.000 0.982 148 Q CA 0.727 56.552 55.803 0.037 0.000 0.884 148 Q CB -0.827 27.933 28.738 0.036 0.000 0.933 148 Q HN 0.377 nan 8.270 nan 0.000 0.460 149 I N 1.567 122.147 120.570 0.018 0.000 2.291 149 I HA 0.080 4.256 4.170 0.011 0.000 0.292 149 I C -0.086 176.009 176.117 -0.036 0.000 1.064 149 I CA -0.778 60.517 61.300 -0.008 0.000 1.269 149 I CB 0.706 38.702 38.000 -0.006 0.000 1.418 149 I HN -0.016 nan 8.210 nan 0.000 0.485 150 Q N 7.353 127.115 119.800 -0.063 0.000 2.303 150 Q HA 0.335 4.682 4.340 0.011 0.000 0.257 150 Q C -0.788 175.043 176.000 -0.282 0.000 0.941 150 Q CA -0.222 55.475 55.803 -0.176 0.000 0.931 150 Q CB 0.862 29.490 28.738 -0.183 0.000 1.215 150 Q HN 0.447 nan 8.270 nan 0.000 0.437 151 R N 3.720 124.034 120.500 -0.310 0.000 2.265 151 R HA 0.320 4.667 4.340 0.011 0.000 0.319 151 R C -0.741 175.247 176.300 -0.519 0.000 1.006 151 R CA -0.370 55.574 56.100 -0.260 0.000 0.880 151 R CB 0.764 31.030 30.300 -0.056 0.000 1.077 151 R HN 0.586 nan 8.270 nan 0.000 0.454 152 F N 2.548 122.341 119.950 -0.262 0.000 2.467 152 F HA 0.160 4.697 4.527 0.016 0.000 0.349 152 F C 0.218 175.854 175.800 -0.274 0.000 1.182 152 F CA -0.655 57.034 58.000 -0.519 0.000 1.279 152 F CB 0.288 38.786 39.000 -0.837 0.000 1.626 152 F HN 0.266 nan 8.300 nan 0.000 0.596 153 D N 2.608 122.991 120.400 -0.028 0.000 2.382 153 D HA 0.019 4.665 4.640 0.011 0.000 0.245 153 D C 0.583 176.895 176.300 0.021 0.000 1.120 153 D CA 0.252 54.216 54.000 -0.060 0.000 0.890 153 D CB 0.540 41.261 40.800 -0.133 0.000 1.201 153 D HN 0.521 nan 8.370 nan 0.000 0.433 154 E N 0.822 120.955 120.200 -0.112 0.000 2.252 154 E HA -0.259 4.098 4.350 0.011 0.000 0.218 154 E C -0.736 175.899 176.600 0.058 0.000 1.253 154 E CA 0.601 56.963 56.400 -0.063 0.000 0.705 154 E CB -1.309 28.312 29.700 -0.131 0.000 1.172 154 E HN 0.452 nan 8.360 nan 0.000 0.369 155 H N -0.317 118.721 119.070 -0.053 0.000 2.547 155 H HA 0.421 4.982 4.556 0.009 0.000 0.342 155 H C -0.856 174.455 175.328 -0.028 0.000 1.048 155 H CA -0.628 55.403 56.048 -0.027 0.000 1.204 155 H CB 0.784 30.530 29.762 -0.026 0.000 1.493 155 H HN 0.189 nan 8.280 nan 0.000 0.511 156 F N 4.123 124.019 119.950 -0.090 0.000 2.371 156 F HA 0.330 4.863 4.527 0.009 0.000 0.363 156 F C -0.419 175.338 175.800 -0.073 0.000 1.122 156 F CA -0.724 57.214 58.000 -0.103 0.000 1.129 156 F CB 0.535 39.438 39.000 -0.163 0.000 1.173 156 F HN 0.254 nan 8.300 nan 0.000 0.489 157 V N 8.329 128.101 119.914 -0.237 0.000 2.470 157 V HA -0.019 4.108 4.120 0.011 0.000 0.276 157 V C 1.011 177.094 176.094 -0.017 0.000 1.040 157 V CA 0.266 62.489 62.300 -0.128 0.000 1.008 157 V CB 0.824 32.532 31.823 -0.193 0.000 0.990 157 V HN 0.875 nan 8.190 nan 0.000 0.477 158 L N 2.682 123.972 121.223 0.111 0.000 2.121 158 L HA 0.279 4.625 4.340 0.011 0.000 0.200 158 L C 0.741 177.700 176.870 0.149 0.000 1.077 158 L CA 0.983 55.940 54.840 0.195 0.000 0.766 158 L CB 0.066 42.214 42.059 0.148 0.000 0.931 158 L HN 0.624 nan 8.230 nan 0.000 0.452 159 D N -1.389 119.069 120.400 0.096 0.000 2.579 159 D HA 0.464 5.110 4.640 0.011 0.000 0.257 159 D C -1.037 175.294 176.300 0.051 0.000 1.176 159 D CA -0.617 53.453 54.000 0.117 0.000 0.914 159 D CB 1.990 42.881 40.800 0.153 0.000 1.431 159 D HN 0.079 nan 8.370 nan 0.000 0.454 160 I N -1.412 119.178 120.570 0.034 0.000 2.676 160 I HA 0.525 4.702 4.170 0.011 0.000 0.309 160 I C -0.588 175.520 176.117 -0.015 0.000 0.990 160 I CA -0.956 60.298 61.300 -0.075 0.000 1.168 160 I CB 1.381 39.243 38.000 -0.231 0.000 1.343 160 I HN 0.150 nan 8.210 nan 0.000 0.482 161 L N 5.285 126.497 121.223 -0.018 0.000 2.257 161 L HA 0.568 4.914 4.340 0.011 0.000 0.290 161 L C -0.717 176.167 176.870 0.023 0.000 1.044 161 L CA -0.703 54.157 54.840 0.034 0.000 0.810 161 L CB 1.340 43.416 42.059 0.029 0.000 1.193 161 L HN 0.425 nan 8.230 nan 0.000 0.425 162 V N 2.151 122.111 119.914 0.077 0.000 2.588 162 V HA 0.485 4.612 4.120 0.011 0.000 0.304 162 V C -0.975 175.172 176.094 0.089 0.000 1.042 162 V CA -0.496 61.849 62.300 0.076 0.000 0.877 162 V CB 2.286 34.173 31.823 0.107 0.000 0.996 162 V HN 0.714 nan 8.190 nan 0.000 0.425 163 D N 2.920 123.368 120.400 0.079 0.000 2.934 163 D HA 0.430 5.076 4.640 0.011 0.000 0.230 163 D C -0.210 176.132 176.300 0.069 0.000 1.204 163 D CA -0.135 53.904 54.000 0.065 0.000 0.873 163 D CB 1.776 42.604 40.800 0.048 0.000 1.645 163 D HN 0.572 nan 8.370 nan 0.000 0.502 164 D N 3.136 123.568 120.400 0.054 0.000 2.772 164 D HA -0.145 4.502 4.640 0.011 0.000 0.233 164 D C 0.922 177.262 176.300 0.067 0.000 1.143 164 D CA 2.314 56.343 54.000 0.048 0.000 0.700 164 D CB -1.189 39.633 40.800 0.037 0.000 1.076 164 D HN 1.088 nan 8.370 nan 0.000 0.430 165 G N -0.290 108.548 108.800 0.063 0.000 2.155 165 G HA2 -0.334 3.633 3.960 0.011 0.000 0.257 165 G HA3 -0.334 3.633 3.960 0.011 0.000 0.257 165 G C 0.066 175.000 174.900 0.055 0.000 0.983 165 G CA 0.634 45.763 45.100 0.048 0.000 0.676 165 G HN 0.810 nan 8.290 nan 0.000 0.528 166 H N -0.715 118.350 119.070 -0.008 0.000 2.600 166 H HA 0.559 5.120 4.556 0.010 0.000 0.357 166 H C -0.187 175.130 175.328 -0.018 0.000 1.106 166 H CA -0.348 55.690 56.048 -0.017 0.000 1.193 166 H CB 2.090 31.847 29.762 -0.008 0.000 1.594 166 H HN 0.156 nan 8.280 nan 0.000 0.526 167 V N 5.407 125.282 119.914 -0.064 0.000 2.715 167 V HA 0.155 4.281 4.120 0.011 0.000 0.299 167 V C 0.602 176.800 176.094 0.174 0.000 1.054 167 V CA 0.202 62.510 62.300 0.013 0.000 1.077 167 V CB 0.688 32.457 31.823 -0.090 0.000 0.972 167 V HN 0.770 nan 8.190 nan 0.000 0.484 168 R N 3.924 124.480 120.500 0.093 0.000 2.521 168 R HA 0.411 4.758 4.340 0.011 0.000 0.289 168 R C 0.399 176.726 176.300 0.045 0.000 0.936 168 R CA 0.690 56.841 56.100 0.085 0.000 1.089 168 R CB 1.025 31.364 30.300 0.065 0.000 1.348 168 R HN 0.944 nan 8.270 nan 0.000 0.536 169 G N 0.864 109.676 108.800 0.020 0.000 2.398 169 G HA2 0.285 4.251 3.960 0.011 0.000 0.251 169 G HA3 0.285 4.251 3.960 0.011 0.000 0.251 169 G C -2.070 172.814 174.900 -0.026 0.000 1.277 169 G CA -0.506 44.593 45.100 -0.002 0.000 0.927 169 G HN 0.066 nan 8.290 nan 0.000 0.477 170 L N -2.888 118.313 121.223 -0.036 0.000 2.622 170 L HA 0.886 5.232 4.340 0.011 0.000 0.258 170 L C -0.775 176.071 176.870 -0.040 0.000 0.996 170 L CA -1.212 53.601 54.840 -0.045 0.000 0.858 170 L CB 1.588 43.602 42.059 -0.076 0.000 1.449 170 L HN 0.680 nan 8.230 nan 0.000 0.411 171 V N 0.778 120.682 119.914 -0.018 0.000 2.435 171 V HA 0.972 5.098 4.120 0.011 0.000 0.290 171 V C 0.257 176.346 176.094 -0.009 0.000 1.030 171 V CA 0.116 62.412 62.300 -0.007 0.000 0.881 171 V CB 1.079 32.915 31.823 0.021 0.000 0.983 171 V HN 1.158 nan 8.190 nan 0.000 0.445 172 A N 5.227 128.037 122.820 -0.015 0.000 2.486 172 A HA 0.804 5.130 4.320 0.011 0.000 0.300 172 A C -0.750 176.849 177.584 0.025 0.000 1.048 172 A CA -0.648 51.395 52.037 0.010 0.000 0.696 172 A CB 1.811 20.793 19.000 -0.031 0.000 1.278 172 A HN 0.917 nan 8.150 nan 0.000 0.405 173 M N 2.466 122.082 119.600 0.026 0.000 2.216 173 M HA 0.254 4.740 4.480 0.011 0.000 0.356 173 M C -0.133 176.042 176.300 -0.208 0.000 1.205 173 M CA -0.418 54.848 55.300 -0.056 0.000 1.122 173 M CB 0.554 33.109 32.600 -0.075 0.000 1.571 173 M HN 0.776 nan 8.290 nan 0.000 0.464 174 N N 5.078 123.584 118.700 -0.323 0.000 2.399 174 N HA 0.088 4.834 4.740 0.011 0.000 0.259 174 N C 0.473 175.753 175.510 -0.383 0.000 1.160 174 N CA 0.280 52.917 53.050 -0.688 0.000 0.946 174 N CB 0.521 38.799 38.487 -0.348 0.000 1.156 174 N HN 0.892 nan 8.380 nan 0.000 0.489 175 M N 2.476 121.848 119.600 -0.380 0.000 2.149 175 M HA -0.210 4.277 4.480 0.011 0.000 0.261 175 M C 1.634 177.870 176.300 -0.107 0.000 1.064 175 M CA 1.595 56.730 55.300 -0.275 0.000 1.102 175 M CB -0.090 32.322 32.600 -0.313 0.000 1.369 175 M HN 0.525 nan 8.290 nan 0.000 0.408 176 M N 0.234 119.841 119.600 0.012 0.000 2.098 176 M HA -0.107 4.380 4.480 0.011 0.000 0.262 176 M C 1.923 178.252 176.300 0.048 0.000 1.072 176 M CA 1.752 57.127 55.300 0.125 0.000 1.133 176 M CB -0.226 32.445 32.600 0.118 0.000 1.344 176 M HN 0.018 nan 8.290 nan 0.000 0.414 177 E N -0.449 119.750 120.200 -0.002 0.000 2.152 177 E HA 0.065 4.422 4.350 0.011 0.000 0.192 177 E C 1.310 177.896 176.600 -0.025 0.000 0.983 177 E CA 1.029 57.429 56.400 -0.000 0.000 0.818 177 E CB -0.487 29.221 29.700 0.012 0.000 0.758 177 E HN 0.665 nan 8.360 nan 0.000 0.467 178 G N 2.225 110.984 108.800 -0.069 0.000 2.176 178 G HA2 -0.270 3.696 3.960 0.011 0.000 0.252 178 G HA3 -0.270 3.696 3.960 0.011 0.000 0.252 178 G C 0.366 175.226 174.900 -0.066 0.000 1.024 178 G CA 0.854 45.901 45.100 -0.088 0.000 0.755 178 G HN 0.385 nan 8.290 nan 0.000 0.507 179 T N -1.560 112.963 114.554 -0.052 0.000 2.823 179 T HA 0.729 5.086 4.350 0.011 0.000 0.279 179 T C 0.381 175.076 174.700 -0.009 0.000 0.998 179 T CA -1.033 61.057 62.100 -0.016 0.000 0.994 179 T CB 2.377 71.255 68.868 0.018 0.000 0.960 179 T HN 0.388 nan 8.240 nan 0.000 0.448 180 L N 2.688 123.915 121.223 0.006 0.000 2.417 180 L HA 0.575 4.921 4.340 0.011 0.000 0.268 180 L C -0.476 176.429 176.870 0.059 0.000 1.158 180 L CA -0.685 54.166 54.840 0.018 0.000 0.819 180 L CB 1.267 43.334 42.059 0.014 0.000 1.112 180 L HN 0.533 nan 8.230 nan 0.000 0.458 181 V N 3.047 122.998 119.914 0.061 0.000 2.686 181 V HA 0.262 4.388 4.120 0.011 0.000 0.306 181 V C -0.455 175.668 176.094 0.049 0.000 1.065 181 V CA -0.710 61.652 62.300 0.103 0.000 0.894 181 V CB 2.066 33.951 31.823 0.104 0.000 1.004 181 V HN 0.703 nan 8.190 nan 0.000 0.424 182 Q N 3.584 123.439 119.800 0.091 0.000 2.274 182 Q HA 0.612 4.959 4.340 0.011 0.000 0.256 182 Q C -1.122 174.909 176.000 0.051 0.000 0.927 182 Q CA -0.306 55.527 55.803 0.051 0.000 0.939 182 Q CB 1.745 30.519 28.738 0.059 0.000 1.201 182 Q HN 0.618 nan 8.270 nan 0.000 0.426 183 I N 3.904 124.444 120.570 -0.050 0.000 2.355 183 I HA 0.325 4.502 4.170 0.011 0.000 0.288 183 I C -0.270 175.836 176.117 -0.017 0.000 0.999 183 I CA -0.791 60.467 61.300 -0.070 0.000 1.163 183 I CB 1.070 38.901 38.000 -0.282 0.000 1.316 183 I HN 0.291 nan 8.210 nan 0.000 0.454 184 R N 5.619 126.138 120.500 0.032 0.000 2.287 184 R HA 0.635 4.981 4.340 0.011 0.000 0.327 184 R C -0.616 175.706 176.300 0.036 0.000 1.109 184 R CA -0.443 55.677 56.100 0.032 0.000 1.013 184 R CB 1.124 31.448 30.300 0.039 0.000 1.126 184 R HN 0.663 nan 8.270 nan 0.000 0.503 185 A N 2.521 125.357 122.820 0.028 0.000 2.343 185 A HA 0.360 4.686 4.320 0.011 0.000 0.316 185 A C 0.355 177.975 177.584 0.059 0.000 1.104 185 A CA -0.731 51.329 52.037 0.038 0.000 0.768 185 A CB 1.001 20.015 19.000 0.023 0.000 1.213 185 A HN 0.484 nan 8.150 nan 0.000 0.456 186 N N 0.520 119.263 118.700 0.073 0.000 2.521 186 N HA 0.283 5.030 4.740 0.011 0.000 0.188 186 N C 0.032 175.655 175.510 0.188 0.000 1.146 186 N CA 1.208 54.329 53.050 0.119 0.000 0.893 186 N CB 0.314 38.849 38.487 0.079 0.000 0.975 186 N HN 0.848 nan 8.380 nan 0.000 0.451 187 A N -0.734 122.165 122.820 0.131 0.000 2.520 187 A HA 0.659 4.985 4.320 0.011 0.000 0.298 187 A C -1.295 176.352 177.584 0.105 0.000 1.051 187 A CA -0.520 51.609 52.037 0.154 0.000 0.690 187 A CB 1.447 20.560 19.000 0.189 0.000 1.281 187 A HN -0.112 nan 8.150 nan 0.000 0.402 188 V N 2.103 122.092 119.914 0.124 0.000 2.588 188 V HA 0.540 4.667 4.120 0.011 0.000 0.304 188 V C -0.517 175.650 176.094 0.122 0.000 1.042 188 V CA -0.546 61.794 62.300 0.067 0.000 0.877 188 V CB 1.887 33.709 31.823 -0.002 0.000 0.996 188 V HN 0.757 nan 8.190 nan 0.000 0.425 189 V N 5.340 125.288 119.914 0.057 0.000 2.435 189 V HA 0.494 4.620 4.120 0.011 0.000 0.290 189 V C 0.017 176.117 176.094 0.011 0.000 1.030 189 V CA -0.595 61.743 62.300 0.063 0.000 0.881 189 V CB 1.758 33.575 31.823 -0.009 0.000 0.983 189 V HN 0.720 nan 8.190 nan 0.000 0.445 190 M N 4.117 123.725 119.600 0.012 0.000 2.061 190 M HA 0.469 4.955 4.480 0.011 0.000 0.346 190 M C 0.282 176.564 176.300 -0.030 0.000 1.112 190 M CA -0.124 55.155 55.300 -0.036 0.000 1.021 190 M CB 1.165 33.731 32.600 -0.057 0.000 1.530 190 M HN 0.782 nan 8.290 nan 0.000 0.437 191 A N 2.251 125.046 122.820 -0.042 0.000 2.676 191 A HA 0.218 4.544 4.320 0.011 0.000 0.297 191 A C 1.264 178.820 177.584 -0.047 0.000 1.132 191 A CA -0.146 51.874 52.037 -0.027 0.000 0.972 191 A CB -0.375 18.618 19.000 -0.011 0.000 1.197 191 A HN 0.799 nan 8.150 nan 0.000 0.524 192 T N -3.063 111.444 114.554 -0.079 0.000 3.118 192 T HA 0.395 4.752 4.350 0.011 0.000 0.260 192 T C 1.227 175.873 174.700 -0.091 0.000 1.139 192 T CA 1.201 63.237 62.100 -0.107 0.000 1.085 192 T CB -0.516 68.257 68.868 -0.158 0.000 0.934 192 T HN 2.009 nan 8.240 nan 0.000 0.518 193 G N 0.092 108.849 108.800 -0.072 0.000 2.782 193 G HA2 0.196 4.162 3.960 0.011 0.000 0.228 193 G HA3 0.196 4.162 3.960 0.011 0.000 0.228 193 G C 0.191 175.017 174.900 -0.124 0.000 1.372 193 G CA -0.503 44.554 45.100 -0.072 0.000 0.862 193 G HN 0.959 nan 8.290 nan 0.000 0.547 194 G N -1.397 107.304 108.800 -0.165 0.000 2.683 194 G HA2 0.628 4.595 3.960 0.011 0.000 0.260 194 G HA3 0.628 4.595 3.960 0.011 0.000 0.260 194 G C 0.836 175.629 174.900 -0.178 0.000 1.238 194 G CA 0.788 45.748 45.100 -0.234 0.000 0.934 194 G HN 2.149 nan 8.290 nan 0.000 0.534 195 A N -0.666 122.052 122.820 -0.170 0.000 2.643 195 A HA 0.550 4.877 4.320 0.011 0.000 0.295 195 A C 1.819 179.358 177.584 -0.074 0.000 1.065 195 A CA 0.804 52.781 52.037 -0.100 0.000 0.986 195 A CB 0.094 19.056 19.000 -0.063 0.000 1.212 195 A HN 1.108 nan 8.150 nan 0.000 0.516 196 G N 0.414 109.129 108.800 -0.142 0.000 2.485 196 G HA2 -0.234 3.732 3.960 0.011 0.000 0.221 196 G HA3 -0.234 3.732 3.960 0.011 0.000 0.221 196 G C 1.505 176.385 174.900 -0.033 0.000 1.115 196 G CA 0.622 45.637 45.100 -0.141 0.000 0.751 196 G HN 0.463 nan 8.290 nan 0.000 0.567 197 R N 0.233 120.709 120.500 -0.040 0.000 2.193 197 R HA -0.074 4.272 4.340 0.011 0.000 0.229 197 R C 2.724 179.053 176.300 0.049 0.000 1.110 197 R CA 1.310 57.406 56.100 -0.006 0.000 0.988 197 R CB -0.628 29.664 30.300 -0.014 0.000 0.871 197 R HN 0.542 nan 8.270 nan 0.000 0.458 198 V N -2.244 117.719 119.914 0.082 0.000 3.078 198 V HA -0.089 4.038 4.120 0.011 0.000 0.265 198 V C 0.566 176.678 176.094 0.031 0.000 1.122 198 V CA 0.752 63.085 62.300 0.055 0.000 1.141 198 V CB -0.853 30.990 31.823 0.032 0.000 0.735 198 V HN -0.054 nan 8.190 nan 0.000 0.498 199 Y N 0.539 120.814 120.300 -0.042 0.000 2.310 199 Y HA 0.487 5.043 4.550 0.010 0.000 0.326 199 Y C 1.709 177.601 175.900 -0.012 0.000 1.151 199 Y CA -0.445 57.643 58.100 -0.020 0.000 1.195 199 Y CB 1.104 39.533 38.460 -0.051 0.000 1.210 199 Y HN -0.046 nan 8.280 nan 0.000 0.483 200 R N 1.616 122.204 120.500 0.146 0.000 2.070 200 R HA -0.128 4.218 4.340 0.011 0.000 0.232 200 R C -0.522 175.769 176.300 -0.014 0.000 1.138 200 R CA 1.399 57.532 56.100 0.054 0.000 0.936 200 R CB -0.171 30.198 30.300 0.114 0.000 0.839 200 R HN 0.607 nan 8.270 nan 0.000 0.429 201 Y N 1.381 121.709 120.300 0.047 0.000 2.454 201 Y HA 0.231 4.787 4.550 0.011 0.000 0.345 201 Y C -0.379 175.511 175.900 -0.016 0.000 0.970 201 Y CA -0.870 57.239 58.100 0.014 0.000 1.204 201 Y CB 0.631 39.103 38.460 0.020 0.000 1.122 201 Y HN 0.333 nan 8.280 nan 0.000 0.514 202 N N -1.944 116.785 118.700 0.047 0.000 2.853 202 N HA 0.340 5.087 4.740 0.011 0.000 0.258 202 N C 0.187 175.679 175.510 -0.030 0.000 1.444 202 N CA -0.618 52.413 53.050 -0.031 0.000 0.837 202 N CB 1.048 39.489 38.487 -0.077 0.000 1.489 202 N HN 0.200 nan 8.380 nan 0.000 0.529 203 T N -3.444 111.097 114.554 -0.023 0.000 3.081 203 T HA 0.219 4.576 4.350 0.011 0.000 0.250 203 T C -0.125 174.581 174.700 0.010 0.000 1.100 203 T CA -0.071 62.052 62.100 0.038 0.000 1.038 203 T CB -0.977 68.007 68.868 0.193 0.000 0.962 203 T HN 0.526 nan 8.240 nan 0.000 0.516 204 N N 0.901 119.513 118.700 -0.146 0.000 2.515 204 N HA 0.493 5.239 4.740 0.011 0.000 0.279 204 N C 0.404 175.739 175.510 -0.291 0.000 1.164 204 N CA -0.794 51.995 53.050 -0.435 0.000 0.982 204 N CB 0.848 39.050 38.487 -0.475 0.000 1.170 204 N HN 0.369 nan 8.380 nan 0.000 0.474 205 G N -0.589 107.965 108.800 -0.410 0.000 2.606 205 G HA2 0.222 4.189 3.960 0.011 0.000 0.252 205 G HA3 0.222 4.189 3.960 0.011 0.000 0.252 205 G C 1.049 175.906 174.900 -0.072 0.000 1.206 205 G CA -0.472 44.591 45.100 -0.062 0.000 0.861 205 G HN 0.595 nan 8.290 nan 0.000 0.561 206 G N 0.310 109.120 108.800 0.016 0.000 2.442 206 G HA2 -0.231 3.736 3.960 0.011 0.000 0.219 206 G HA3 -0.231 3.736 3.960 0.011 0.000 0.219 206 G C 1.768 176.709 174.900 0.068 0.000 1.141 206 G CA 1.322 46.452 45.100 0.049 0.000 0.763 206 G HN 0.937 nan 8.290 nan 0.000 0.554 207 I N -0.688 119.920 120.570 0.064 0.000 2.530 207 I HA -0.020 4.157 4.170 0.011 0.000 0.257 207 I C 0.687 176.809 176.117 0.008 0.000 1.179 207 I CA 0.510 61.844 61.300 0.057 0.000 1.440 207 I CB -0.327 37.702 38.000 0.048 0.000 1.087 207 I HN -0.122 nan 8.210 nan 0.000 0.440 208 V N 3.406 123.293 119.914 -0.045 0.000 2.149 208 V HA 0.068 4.195 4.120 0.011 0.000 0.245 208 V C 1.271 177.333 176.094 -0.053 0.000 1.349 208 V CA 0.953 63.197 62.300 -0.095 0.000 1.289 208 V CB -0.884 30.809 31.823 -0.216 0.000 1.401 208 V HN 0.663 nan 8.190 nan 0.000 0.501 209 T N -1.849 112.695 114.554 -0.017 0.000 3.003 209 T HA 0.318 4.675 4.350 0.011 0.000 0.261 209 T C 1.410 176.113 174.700 0.006 0.000 1.003 209 T CA 0.446 62.564 62.100 0.030 0.000 0.917 209 T CB 0.744 69.678 68.868 0.110 0.000 1.084 209 T HN 1.018 nan 8.240 nan 0.000 0.522 210 G N 2.293 111.058 108.800 -0.057 0.000 2.137 210 G HA2 -0.252 3.714 3.960 0.011 0.000 0.237 210 G HA3 -0.252 3.714 3.960 0.011 0.000 0.237 210 G C 0.364 175.170 174.900 -0.156 0.000 1.002 210 G CA 0.258 45.305 45.100 -0.089 0.000 0.702 210 G HN 0.489 nan 8.290 nan 0.000 0.515 211 D N 0.542 120.788 120.400 -0.256 0.000 2.116 211 D HA -0.106 4.540 4.640 0.011 0.000 0.193 211 D C 2.504 178.470 176.300 -0.557 0.000 0.998 211 D CA 1.880 55.494 54.000 -0.643 0.000 0.836 211 D CB -0.929 39.532 40.800 -0.565 0.000 0.951 211 D HN 0.630 nan 8.370 nan 0.000 0.449 212 G N 0.655 109.256 108.800 -0.332 0.000 2.469 212 G HA2 -0.297 3.669 3.960 0.011 0.000 0.219 212 G HA3 -0.297 3.669 3.960 0.011 0.000 0.219 212 G C 1.663 176.461 174.900 -0.170 0.000 1.150 212 G CA 0.973 45.935 45.100 -0.230 0.000 0.763 212 G HN 0.213 nan 8.290 nan 0.000 0.561 213 M N 0.572 120.082 119.600 -0.149 0.000 2.132 213 M HA 0.019 4.505 4.480 0.011 0.000 0.263 213 M C 2.900 179.167 176.300 -0.055 0.000 1.065 213 M CA 1.359 56.601 55.300 -0.097 0.000 1.122 213 M CB -0.474 32.076 32.600 -0.083 0.000 1.365 213 M HN 0.299 nan 8.290 nan 0.000 0.411 214 G N 0.317 109.088 108.800 -0.049 0.000 2.440 214 G HA2 -0.216 3.750 3.960 0.011 0.000 0.218 214 G HA3 -0.216 3.750 3.960 0.011 0.000 0.218 214 G C 1.502 176.500 174.900 0.164 0.000 1.154 214 G CA 0.739 45.931 45.100 0.154 0.000 0.767 214 G HN 0.363 nan 8.290 nan 0.000 0.552 215 M N 0.689 120.312 119.600 0.038 0.000 2.175 215 M HA 0.054 4.541 4.480 0.011 0.000 0.264 215 M C 3.057 179.435 176.300 0.130 0.000 1.063 215 M CA 1.253 56.616 55.300 0.105 0.000 1.119 215 M CB -0.229 32.365 32.600 -0.009 0.000 1.377 215 M HN 0.307 nan 8.290 nan 0.000 0.415 216 A N 0.770 123.603 122.820 0.022 0.000 1.877 216 A HA -0.132 4.194 4.320 0.011 0.000 0.216 216 A C 2.141 179.758 177.584 0.055 0.000 1.186 216 A CA 1.321 53.361 52.037 0.005 0.000 0.620 216 A CB -1.006 17.957 19.000 -0.061 0.000 0.822 216 A HN 0.432 nan 8.150 nan 0.000 0.443 217 L N 0.160 121.404 121.223 0.034 0.000 2.051 217 L HA -0.258 4.089 4.340 0.011 0.000 0.214 217 L C 2.741 179.652 176.870 0.067 0.000 1.076 217 L CA 1.839 56.698 54.840 0.032 0.000 0.758 217 L CB -0.410 41.664 42.059 0.025 0.000 0.890 217 L HN 0.414 nan 8.230 nan 0.000 0.433 218 S N -2.004 113.754 115.700 0.097 0.000 2.469 218 S HA -0.136 4.340 4.470 0.011 0.000 0.238 218 S C 1.188 175.718 174.600 -0.117 0.000 0.998 218 S CA 0.755 58.959 58.200 0.008 0.000 0.957 218 S CB -0.344 62.862 63.200 0.009 0.000 0.764 218 S HN 0.514 nan 8.310 nan 0.000 0.514 219 H N 0.080 119.160 119.070 0.017 0.000 2.486 219 H HA 0.327 4.886 4.556 0.004 0.000 0.284 219 H C 1.364 176.710 175.328 0.032 0.000 1.103 219 H CA 0.160 56.217 56.048 0.015 0.000 1.089 219 H CB 0.109 29.870 29.762 -0.001 0.000 1.603 219 H HN 0.475 nan 8.280 nan 0.000 0.557 220 G N 1.606 110.488 108.800 0.136 0.000 2.198 220 G HA2 -0.282 3.685 3.960 0.011 0.000 0.260 220 G HA3 -0.282 3.685 3.960 0.011 0.000 0.260 220 G C 0.140 175.170 174.900 0.218 0.000 1.025 220 G CA 0.326 45.541 45.100 0.191 0.000 0.769 220 G HN 0.230 nan 8.290 nan 0.000 0.507 221 V N 2.407 122.375 119.914 0.090 0.000 2.432 221 V HA 0.467 4.593 4.120 0.011 0.000 0.275 221 V C -1.173 174.786 176.094 -0.225 0.000 1.043 221 V CA -1.438 60.842 62.300 -0.033 0.000 0.925 221 V CB 1.638 33.429 31.823 -0.053 0.000 0.985 221 V HN 0.262 nan 8.190 nan 0.000 0.466 222 P HA 0.268 nan 4.420 nan 0.000 0.278 222 P C -0.823 176.222 177.300 -0.425 0.000 1.238 222 P CA -0.291 62.285 63.100 -0.873 0.000 0.794 222 P CB 1.043 31.920 31.700 -1.372 0.000 0.955 223 L N 2.796 123.820 121.223 -0.332 0.000 2.312 223 L HA 0.458 4.805 4.340 0.011 0.000 0.281 223 L C 1.117 177.890 176.870 -0.162 0.000 1.070 223 L CA -0.560 54.164 54.840 -0.192 0.000 0.805 223 L CB 0.876 42.861 42.059 -0.123 0.000 1.174 223 L HN 0.403 nan 8.230 nan 0.000 0.434 224 R N 2.108 122.548 120.500 -0.100 0.000 2.514 224 R HA 0.230 4.577 4.340 0.011 0.000 0.301 224 R C -0.732 175.618 176.300 0.083 0.000 0.962 224 R CA -0.445 55.638 56.100 -0.028 0.000 0.882 224 R CB 0.988 31.241 30.300 -0.078 0.000 1.143 224 R HN 0.654 nan 8.270 nan 0.000 0.452 225 D N 3.600 124.120 120.400 0.201 0.000 2.708 225 D HA -0.196 4.451 4.640 0.011 0.000 0.236 225 D C 0.753 177.253 176.300 0.333 0.000 1.146 225 D CA 0.752 54.991 54.000 0.398 0.000 0.662 225 D CB -0.286 40.770 40.800 0.427 0.000 1.059 225 D HN 0.549 nan 8.370 nan 0.000 0.428 226 M N -0.333 119.337 119.600 0.116 0.000 2.229 226 M HA -0.107 4.379 4.480 0.011 0.000 0.264 226 M C 2.134 178.424 176.300 -0.015 0.000 1.063 226 M CA 1.343 56.668 55.300 0.043 0.000 1.114 226 M CB -0.522 32.078 32.600 0.001 0.000 1.387 226 M HN 0.330 nan 8.290 nan 0.000 0.420 227 E N 0.038 120.123 120.200 -0.191 0.000 2.409 227 E HA -0.135 4.221 4.350 0.011 0.000 0.198 227 E C -0.217 176.172 176.600 -0.353 0.000 1.024 227 E CA 0.461 56.653 56.400 -0.346 0.000 0.861 227 E CB -0.694 28.609 29.700 -0.662 0.000 0.788 227 E HN 0.369 nan 8.360 nan 0.000 0.521 228 F N 1.760 121.740 119.950 0.050 0.000 2.377 228 F HA 0.255 4.788 4.527 0.010 0.000 0.360 228 F C -0.152 175.683 175.800 0.059 0.000 1.147 228 F CA -0.773 57.270 58.000 0.072 0.000 1.170 228 F CB 1.100 40.141 39.000 0.070 0.000 1.339 228 F HN -0.299 nan 8.300 nan 0.000 0.552 229 V N 3.448 123.473 119.914 0.185 0.000 2.409 229 V HA 0.268 4.395 4.120 0.011 0.000 0.291 229 V C -0.188 175.977 176.094 0.119 0.000 1.020 229 V CA -0.989 61.351 62.300 0.066 0.000 0.848 229 V CB 1.535 33.319 31.823 -0.064 0.000 0.990 229 V HN 0.647 nan 8.190 nan 0.000 0.430 230 Q N 3.530 123.399 119.800 0.115 0.000 2.294 230 Q HA 0.358 4.704 4.340 0.011 0.000 0.257 230 Q C -1.563 174.502 176.000 0.108 0.000 0.955 230 Q CA -0.351 55.551 55.803 0.166 0.000 0.936 230 Q CB 0.676 29.545 28.738 0.218 0.000 1.188 230 Q HN 0.690 nan 8.270 nan 0.000 0.420 231 Y N 2.157 122.459 120.300 0.003 0.000 2.320 231 Y HA 0.199 4.756 4.550 0.011 0.000 0.324 231 Y C 0.182 176.083 175.900 0.002 0.000 1.190 231 Y CA -0.392 57.705 58.100 -0.005 0.000 1.215 231 Y CB 1.056 39.476 38.460 -0.067 0.000 1.221 231 Y HN 0.592 nan 8.280 nan 0.000 0.486 232 H N 5.080 124.183 119.070 0.055 0.000 2.488 232 H HA 0.225 4.788 4.556 0.011 0.000 0.322 232 H C -1.979 173.337 175.328 -0.020 0.000 1.078 232 H CA -2.494 53.514 56.048 -0.066 0.000 1.260 232 H CB 2.127 31.745 29.762 -0.241 0.000 1.425 232 H HN 0.400 nan 8.280 nan 0.000 0.471 233 P HA -0.115 nan 4.420 nan 0.000 0.216 233 P C 0.139 177.492 177.300 0.089 0.000 1.150 233 P CA 1.503 64.607 63.100 0.005 0.000 0.843 233 P CB 0.181 31.848 31.700 -0.055 0.000 0.787 234 T N -2.812 111.904 114.554 0.269 0.000 3.060 234 T HA 0.684 5.040 4.350 0.011 0.000 0.367 234 T C 0.046 174.800 174.700 0.090 0.000 1.229 234 T CA -0.840 61.359 62.100 0.165 0.000 1.104 234 T CB 0.814 69.780 68.868 0.164 0.000 1.083 234 T HN 0.022 nan 8.240 nan 0.000 0.524 235 G N 2.990 111.810 108.800 0.034 0.000 2.542 235 G HA2 0.620 4.586 3.960 0.011 0.000 0.311 235 G HA3 0.620 4.586 3.960 0.011 0.000 0.311 235 G C -0.398 174.508 174.900 0.010 0.000 1.298 235 G CA -1.167 43.935 45.100 0.004 0.000 0.973 235 G HN 0.797 nan 8.290 nan 0.000 0.487 236 L N 2.202 123.435 121.223 0.015 0.000 2.483 236 L HA 0.220 4.567 4.340 0.011 0.000 0.276 236 L C -1.664 175.235 176.870 0.049 0.000 1.213 236 L CA -1.253 53.607 54.840 0.033 0.000 0.843 236 L CB 0.656 42.735 42.059 0.033 0.000 1.107 236 L HN 0.293 nan 8.230 nan 0.000 0.487 237 P HA 0.140 nan 4.420 nan 0.000 0.286 237 P C 0.620 178.005 177.300 0.141 0.000 1.269 237 P CA 0.262 63.422 63.100 0.100 0.000 0.787 237 P CB 1.577 33.323 31.700 0.076 0.000 0.920 238 G N 3.032 111.992 108.800 0.266 0.000 2.267 238 G HA2 -0.326 3.641 3.960 0.011 0.000 0.257 238 G HA3 -0.326 3.641 3.960 0.011 0.000 0.257 238 G C 0.934 175.808 174.900 -0.042 0.000 0.998 238 G CA 0.731 45.925 45.100 0.158 0.000 0.620 238 G HN 0.632 nan 8.290 nan 0.000 0.529 239 S N -1.003 114.689 115.700 -0.014 0.000 2.564 239 S HA 0.451 4.927 4.470 0.011 0.000 0.231 239 S C 2.241 176.800 174.600 -0.069 0.000 1.067 239 S CA 1.440 59.585 58.200 -0.091 0.000 0.908 239 S CB 0.473 63.594 63.200 -0.132 0.000 0.809 239 S HN 2.318 nan 8.310 nan 0.000 0.491 240 G N 1.780 110.586 108.800 0.009 0.000 2.160 240 G HA2 -0.236 3.731 3.960 0.011 0.000 0.251 240 G HA3 -0.236 3.731 3.960 0.011 0.000 0.251 240 G C -0.010 174.885 174.900 -0.009 0.000 1.008 240 G CA 0.280 45.400 45.100 0.033 0.000 0.724 240 G HN 0.597 nan 8.290 nan 0.000 0.514 241 I N 0.353 120.895 120.570 -0.047 0.000 2.588 241 I HA 0.240 4.416 4.170 0.011 0.000 0.283 241 I C 0.988 177.083 176.117 -0.038 0.000 1.119 241 I CA -0.806 60.454 61.300 -0.066 0.000 1.419 241 I CB 0.931 38.836 38.000 -0.158 0.000 1.394 241 I HN 0.160 nan 8.210 nan 0.000 0.562 242 L N 8.472 129.677 121.223 -0.029 0.000 2.410 242 L HA 0.202 4.549 4.340 0.011 0.000 0.273 242 L C -0.196 176.626 176.870 -0.079 0.000 1.144 242 L CA 0.566 55.352 54.840 -0.090 0.000 0.863 242 L CB 0.312 42.322 42.059 -0.081 0.000 1.140 242 L HN 0.442 nan 8.230 nan 0.000 0.463 243 M N 4.887 124.427 119.600 -0.101 0.000 2.088 243 M HA 0.204 4.690 4.480 0.011 0.000 0.346 243 M C 0.410 176.690 176.300 -0.034 0.000 1.111 243 M CA -0.250 55.032 55.300 -0.029 0.000 1.017 243 M CB 0.684 33.296 32.600 0.021 0.000 1.568 243 M HN 0.761 nan 8.290 nan 0.000 0.445 244 T N 0.898 115.477 114.554 0.042 0.000 2.791 244 T HA -0.027 4.330 4.350 0.011 0.000 0.323 244 T C 1.248 176.064 174.700 0.193 0.000 1.082 244 T CA 0.439 62.621 62.100 0.137 0.000 1.084 244 T CB 0.647 69.651 68.868 0.226 0.000 0.992 244 T HN 0.844 nan 8.240 nan 0.000 0.547 245 E N 1.489 121.844 120.200 0.259 0.000 2.150 245 E HA -0.054 4.303 4.350 0.011 0.000 0.193 245 E C 2.145 178.689 176.600 -0.095 0.000 0.985 245 E CA 1.043 57.451 56.400 0.013 0.000 0.814 245 E CB -0.856 28.691 29.700 -0.256 0.000 0.752 245 E HN 0.930 nan 8.360 nan 0.000 0.466 246 G N 1.055 109.898 108.800 0.071 0.000 2.597 246 G HA2 -0.408 3.558 3.960 0.011 0.000 0.222 246 G HA3 -0.408 3.558 3.960 0.011 0.000 0.222 246 G C 1.679 176.596 174.900 0.029 0.000 1.135 246 G CA 1.223 46.379 45.100 0.092 0.000 0.759 246 G HN 0.426 nan 8.290 nan 0.000 0.595 247 C N -0.064 119.267 119.300 0.051 0.000 2.393 247 C HA -0.065 4.401 4.460 0.011 0.000 0.276 247 C C 3.010 178.012 174.990 0.020 0.000 1.215 247 C CA 1.262 60.303 59.018 0.039 0.000 1.743 247 C CB -0.929 26.846 27.740 0.058 0.000 2.044 247 C HN 0.513 nan 8.230 nan 0.000 0.464 248 R N 0.162 120.663 120.500 0.001 0.000 2.153 248 R HA 0.019 4.365 4.340 0.011 0.000 0.218 248 R C 2.366 178.639 176.300 -0.044 0.000 1.072 248 R CA 1.146 57.239 56.100 -0.012 0.000 0.990 248 R CB -0.503 29.781 30.300 -0.028 0.000 0.889 248 R HN 0.626 nan 8.270 nan 0.000 0.452 249 G N 0.845 109.589 108.800 -0.093 0.000 2.484 249 G HA2 -0.168 3.798 3.960 0.011 0.000 0.218 249 G HA3 -0.168 3.798 3.960 0.011 0.000 0.218 249 G C 1.041 175.915 174.900 -0.045 0.000 1.130 249 G CA 0.268 45.302 45.100 -0.110 0.000 0.784 249 G HN 0.143 nan 8.290 nan 0.000 0.543 250 E N 0.237 120.426 120.200 -0.019 0.000 2.437 250 E HA 0.200 4.557 4.350 0.011 0.000 0.189 250 E C 1.557 178.168 176.600 0.018 0.000 1.054 250 E CA 0.312 56.711 56.400 -0.002 0.000 0.874 250 E CB -0.086 29.612 29.700 -0.003 0.000 1.011 250 E HN 0.379 nan 8.360 nan 0.000 0.474 251 G N 0.935 109.760 108.800 0.041 0.000 2.149 251 G HA2 -0.221 3.746 3.960 0.011 0.000 0.235 251 G HA3 -0.221 3.746 3.960 0.011 0.000 0.235 251 G C 0.624 175.667 174.900 0.239 0.000 1.018 251 G CA -0.045 45.121 45.100 0.110 0.000 0.728 251 G HN 0.486 nan 8.290 nan 0.000 0.508 252 G N -0.385 108.506 108.800 0.150 0.000 2.606 252 G HA2 0.690 4.657 3.960 0.011 0.000 0.252 252 G HA3 0.690 4.657 3.960 0.011 0.000 0.252 252 G C 0.355 175.363 174.900 0.180 0.000 1.206 252 G CA -0.043 45.191 45.100 0.223 0.000 0.861 252 G HN 1.492 nan 8.290 nan 0.000 0.561 253 I N -1.961 118.722 120.570 0.189 0.000 2.740 253 I HA 0.698 4.875 4.170 0.011 0.000 0.303 253 I C -0.853 175.296 176.117 0.054 0.000 1.044 253 I CA -1.283 60.047 61.300 0.050 0.000 1.064 253 I CB 2.281 40.255 38.000 -0.042 0.000 1.249 253 I HN 0.202 nan 8.210 nan 0.000 0.433 254 L N 5.950 127.158 121.223 -0.025 0.000 2.325 254 L HA 0.749 5.095 4.340 0.011 0.000 0.281 254 L C -0.357 176.488 176.870 -0.041 0.000 1.004 254 L CA -0.854 53.991 54.840 0.008 0.000 0.823 254 L CB 1.728 43.760 42.059 -0.045 0.000 1.236 254 L HN 0.640 nan 8.230 nan 0.000 0.415 255 V N -0.402 119.634 119.914 0.204 0.000 3.102 255 V HA 0.704 4.830 4.120 0.011 0.000 0.312 255 V C -0.660 175.710 176.094 0.461 0.000 1.135 255 V CA -0.848 61.622 62.300 0.283 0.000 1.022 255 V CB 1.945 33.885 31.823 0.194 0.000 1.056 255 V HN 0.787 nan 8.190 nan 0.000 0.436 256 N N 1.086 120.052 118.700 0.442 0.000 2.604 256 N HA 0.315 5.062 4.740 0.011 0.000 0.297 256 N C 0.820 176.479 175.510 0.247 0.000 1.266 256 N CA -0.362 52.865 53.050 0.294 0.000 0.961 256 N CB 0.538 39.164 38.487 0.231 0.000 1.166 256 N HN 0.894 nan 8.380 nan 0.000 0.601 257 K N -0.797 119.700 120.400 0.161 0.000 2.218 257 K HA -0.141 4.185 4.320 0.011 0.000 0.205 257 K C 0.356 177.041 176.600 0.143 0.000 1.046 257 K CA 1.538 57.916 56.287 0.152 0.000 0.933 257 K CB -0.384 32.164 32.500 0.080 0.000 0.728 257 K HN 0.376 nan 8.250 nan 0.000 0.454 258 N N 0.571 119.358 118.700 0.144 0.000 2.467 258 N HA 0.014 4.760 4.740 0.011 0.000 0.184 258 N C 0.781 176.390 175.510 0.166 0.000 1.106 258 N CA 1.049 54.177 53.050 0.130 0.000 0.892 258 N CB 0.636 39.187 38.487 0.108 0.000 0.969 258 N HN 0.571 nan 8.380 nan 0.000 0.454 259 G N 0.947 109.871 108.800 0.207 0.000 2.176 259 G HA2 -0.318 3.648 3.960 0.011 0.000 0.252 259 G HA3 -0.318 3.648 3.960 0.011 0.000 0.252 259 G C -0.381 174.654 174.900 0.224 0.000 1.024 259 G CA 0.158 45.372 45.100 0.191 0.000 0.755 259 G HN 0.496 nan 8.290 nan 0.000 0.507 260 Y N 1.030 121.413 120.300 0.139 0.000 2.327 260 Y HA 0.577 5.133 4.550 0.011 0.000 0.336 260 Y C 1.040 177.038 175.900 0.163 0.000 1.035 260 Y CA -1.538 56.639 58.100 0.129 0.000 1.165 260 Y CB 0.648 39.186 38.460 0.130 0.000 1.181 260 Y HN 0.161 nan 8.280 nan 0.000 0.494 261 R N 6.931 127.190 120.500 -0.400 0.000 3.206 261 R HA -0.025 4.322 4.340 0.011 0.000 0.209 261 R C 0.181 176.054 176.300 -0.712 0.000 1.632 261 R CA 0.092 55.914 56.100 -0.464 0.000 1.234 261 R CB -0.572 29.531 30.300 -0.328 0.000 1.270 261 R HN 0.880 nan 8.270 nan 0.000 0.665 262 Y N -0.854 119.227 120.300 -0.366 0.000 2.483 262 Y HA -0.137 4.419 4.550 0.011 0.000 0.291 262 Y C 1.324 177.279 175.900 0.092 0.000 1.143 262 Y CA 0.540 58.547 58.100 -0.154 0.000 1.289 262 Y CB -0.427 38.193 38.460 0.267 0.000 0.983 262 Y HN 0.277 nan 8.280 nan 0.000 0.556 263 L N 1.406 122.512 121.223 -0.196 0.000 2.349 263 L HA -0.241 4.105 4.340 0.011 0.000 0.220 263 L C 2.728 179.681 176.870 0.139 0.000 1.130 263 L CA 1.738 56.626 54.840 0.080 0.000 0.791 263 L CB -0.726 41.256 42.059 -0.128 0.000 0.918 263 L HN 0.498 nan 8.230 nan 0.000 0.444 264 Q N -0.956 118.854 119.800 0.015 0.000 2.297 264 Q HA -0.176 4.170 4.340 0.011 0.000 0.204 264 Q C 0.864 176.881 176.000 0.028 0.000 0.962 264 Q CA 1.338 57.156 55.803 0.025 0.000 0.879 264 Q CB -0.179 28.549 28.738 -0.016 0.000 0.947 264 Q HN 0.402 nan 8.270 nan 0.000 0.462 265 D N 0.127 120.512 120.400 -0.025 0.000 2.347 265 D HA -0.035 4.612 4.640 0.011 0.000 0.213 265 D C 0.106 176.166 176.300 -0.399 0.000 0.985 265 D CA 0.626 54.490 54.000 -0.226 0.000 0.879 265 D CB 0.081 40.681 40.800 -0.332 0.000 0.919 265 D HN 0.419 nan 8.370 nan 0.000 0.526 266 Y N -0.319 120.027 120.300 0.078 0.000 2.746 266 Y HA 0.380 4.937 4.550 0.011 0.000 0.312 266 Y C 1.678 177.599 175.900 0.035 0.000 1.117 266 Y CA -0.225 57.901 58.100 0.043 0.000 1.324 266 Y CB 0.565 39.076 38.460 0.085 0.000 1.173 266 Y HN -0.020 nan 8.280 nan 0.000 0.529 267 G N 0.091 108.947 108.800 0.093 0.000 2.175 267 G HA2 -0.310 3.657 3.960 0.011 0.000 0.244 267 G HA3 -0.310 3.657 3.960 0.011 0.000 0.244 267 G C 0.525 175.466 174.900 0.068 0.000 0.982 267 G CA 0.193 45.336 45.100 0.072 0.000 0.641 267 G HN 0.407 nan 8.290 nan 0.000 0.527 268 M N 1.617 121.272 119.600 0.092 0.000 2.756 268 M HA 0.364 4.850 4.480 0.011 0.000 0.320 268 M C 1.281 177.657 176.300 0.127 0.000 1.245 268 M CA 0.345 55.693 55.300 0.081 0.000 0.972 268 M CB 0.799 33.442 32.600 0.071 0.000 1.327 268 M HN 0.276 nan 8.290 nan 0.000 0.505 269 G N 1.754 110.626 108.800 0.121 0.000 2.539 269 G HA2 0.549 4.515 3.960 0.011 0.000 0.258 269 G HA3 0.549 4.515 3.960 0.011 0.000 0.258 269 G C -2.666 172.354 174.900 0.201 0.000 1.202 269 G CA -0.743 44.428 45.100 0.118 0.000 0.851 269 G HN 0.125 nan 8.290 nan 0.000 0.556 270 P HA 0.342 nan 4.420 nan 0.000 0.285 270 P C -0.524 176.777 177.300 0.002 0.000 1.285 270 P CA -0.917 62.200 63.100 0.028 0.000 0.854 270 P CB 1.378 33.069 31.700 -0.015 0.000 1.180 271 E N 0.059 120.248 120.200 -0.018 0.000 2.415 271 E HA 0.168 4.525 4.350 0.011 0.000 0.263 271 E C -0.420 176.148 176.600 -0.054 0.000 0.995 271 E CA 0.002 56.376 56.400 -0.043 0.000 0.915 271 E CB 0.203 29.871 29.700 -0.054 0.000 0.951 271 E HN 0.415 nan 8.360 nan 0.000 0.449 272 T N 3.399 117.920 114.554 -0.056 0.000 2.771 272 T HA 0.405 4.761 4.350 0.011 0.000 0.281 272 T C -2.322 172.343 174.700 -0.057 0.000 0.982 272 T CA -1.980 60.083 62.100 -0.062 0.000 0.978 272 T CB 1.271 70.105 68.868 -0.055 0.000 0.930 272 T HN 0.308 nan 8.240 nan 0.000 0.447 273 P HA 0.055 nan 4.420 nan 0.000 0.264 273 P C 1.256 178.529 177.300 -0.045 0.000 1.183 273 P CA -0.273 62.798 63.100 -0.048 0.000 0.763 273 P CB 0.793 32.472 31.700 -0.036 0.000 0.807 274 L N 2.383 123.565 121.223 -0.068 0.000 2.054 274 L HA -0.289 4.058 4.340 0.011 0.000 0.220 274 L C 2.696 179.586 176.870 0.033 0.000 1.081 274 L CA 2.399 57.190 54.840 -0.083 0.000 0.780 274 L CB -1.409 40.574 42.059 -0.127 0.000 0.893 274 L HN 0.585 nan 8.230 nan 0.000 0.438 275 G N -0.829 107.991 108.800 0.034 0.000 2.414 275 G HA2 -0.169 3.798 3.960 0.011 0.000 0.215 275 G HA3 -0.169 3.798 3.960 0.011 0.000 0.215 275 G C 0.436 175.356 174.900 0.033 0.000 1.188 275 G CA 0.158 45.288 45.100 0.050 0.000 0.783 275 G HN 0.316 nan 8.290 nan 0.000 0.537 276 E N 1.632 121.838 120.200 0.009 0.000 2.052 276 E HA 0.343 4.699 4.350 0.011 0.000 0.283 276 E C -2.427 174.172 176.600 -0.002 0.000 1.071 276 E CA -1.624 54.776 56.400 -0.001 0.000 0.851 276 E CB 1.778 31.467 29.700 -0.018 0.000 1.066 276 E HN 0.198 nan 8.360 nan 0.000 0.396 277 P HA 0.213 nan 4.420 nan 0.000 0.284 277 P C -0.874 176.437 177.300 0.019 0.000 1.459 277 P CA -0.725 62.383 63.100 0.014 0.000 0.982 277 P CB 0.766 32.479 31.700 0.023 0.000 1.184 278 K N 3.303 123.719 120.400 0.026 0.000 2.298 278 K HA 0.156 4.482 4.320 0.011 0.000 0.280 278 K C 0.501 177.181 176.600 0.133 0.000 1.032 278 K CA -0.548 55.776 56.287 0.062 0.000 0.958 278 K CB 0.564 33.070 32.500 0.010 0.000 0.978 278 K HN 0.410 nan 8.250 nan 0.000 0.472 279 N N 3.126 121.896 118.700 0.117 0.000 2.492 279 N HA -0.070 4.677 4.740 0.011 0.000 0.260 279 N C -0.498 175.077 175.510 0.108 0.000 1.215 279 N CA 0.832 53.932 53.050 0.083 0.000 0.923 279 N CB 0.403 38.918 38.487 0.046 0.000 1.092 279 N HN 0.686 nan 8.380 nan 0.000 0.448 280 K N 0.505 120.904 120.400 -0.003 0.000 3.587 280 K HA -0.246 4.081 4.320 0.011 0.000 0.294 280 K C -1.050 175.388 176.600 -0.269 0.000 1.279 280 K CA 1.149 57.352 56.287 -0.140 0.000 1.004 280 K CB -1.276 31.104 32.500 -0.201 0.000 1.276 280 K HN 0.545 nan 8.250 nan 0.000 0.459 281 Y N 0.978 121.271 120.300 -0.012 0.000 2.335 281 Y HA 0.364 4.920 4.550 0.011 0.000 0.338 281 Y C 1.270 177.153 175.900 -0.029 0.000 0.977 281 Y CA -0.923 57.169 58.100 -0.013 0.000 1.114 281 Y CB 1.108 39.560 38.460 -0.013 0.000 1.182 281 Y HN -0.068 nan 8.280 nan 0.000 0.463 282 M N -0.307 119.353 119.600 0.100 0.000 7.319 282 M HA -0.395 4.091 4.480 0.011 0.000 0.307 282 M C 1.259 177.549 176.300 -0.017 0.000 0.480 282 M CA 1.320 56.631 55.300 0.018 0.000 1.311 282 M CB -1.251 31.347 32.600 -0.003 0.000 0.421 282 M HN 0.736 nan 8.290 nan 0.000 0.740 283 E N 0.725 120.902 120.200 -0.038 0.000 2.396 283 E HA 0.010 4.366 4.350 0.011 0.000 0.200 283 E C 1.684 178.261 176.600 -0.039 0.000 1.023 283 E CA 1.073 57.448 56.400 -0.042 0.000 0.857 283 E CB -0.215 29.465 29.700 -0.033 0.000 0.775 283 E HN 0.420 nan 8.360 nan 0.000 0.525 284 L N -0.734 120.472 121.223 -0.028 0.000 2.728 284 L HA 0.267 4.613 4.340 0.011 0.000 0.238 284 L C 1.167 178.006 176.870 -0.053 0.000 1.143 284 L CA -0.489 54.322 54.840 -0.049 0.000 0.937 284 L CB 0.347 42.388 42.059 -0.030 0.000 1.225 284 L HN 0.072 nan 8.230 nan 0.000 0.507 285 G N 0.625 109.398 108.800 -0.045 0.000 2.647 285 G HA2 0.147 4.113 3.960 0.011 0.000 0.271 285 G HA3 0.147 4.113 3.960 0.011 0.000 0.271 285 G C -2.469 172.394 174.900 -0.062 0.000 1.300 285 G CA -0.670 44.394 45.100 -0.061 0.000 0.997 285 G HN -0.025 nan 8.290 nan 0.000 0.533 286 P HA 0.163 nan 4.420 nan 0.000 0.276 286 P C 0.922 178.195 177.300 -0.046 0.000 1.235 286 P CA -0.521 62.551 63.100 -0.046 0.000 0.772 286 P CB 1.157 32.839 31.700 -0.031 0.000 0.871 287 R N 2.500 122.961 120.500 -0.065 0.000 2.136 287 R HA -0.260 4.087 4.340 0.011 0.000 0.242 287 R C 1.059 177.323 176.300 -0.060 0.000 1.131 287 R CA 2.358 58.406 56.100 -0.087 0.000 0.937 287 R CB -0.713 29.525 30.300 -0.104 0.000 0.863 287 R HN 0.490 nan 8.270 nan 0.000 0.435 288 D N 0.157 120.530 120.400 -0.045 0.000 2.160 288 D HA -0.204 4.443 4.640 0.011 0.000 0.189 288 D C 1.969 178.245 176.300 -0.041 0.000 1.003 288 D CA 1.758 55.729 54.000 -0.048 0.000 0.846 288 D CB -0.149 40.633 40.800 -0.031 0.000 0.949 288 D HN 0.262 nan 8.370 nan 0.000 0.446 289 K N 0.318 120.717 120.400 -0.002 0.000 2.097 289 K HA -0.074 4.252 4.320 0.011 0.000 0.206 289 K C 2.298 178.930 176.600 0.053 0.000 1.049 289 K CA 0.542 56.856 56.287 0.044 0.000 0.933 289 K CB -0.603 31.935 32.500 0.064 0.000 0.717 289 K HN 0.172 nan 8.250 nan 0.000 0.442 290 V N 1.849 121.781 119.914 0.029 0.000 2.261 290 V HA -0.227 3.899 4.120 0.011 0.000 0.246 290 V C 2.402 178.542 176.094 0.078 0.000 1.047 290 V CA 1.984 64.316 62.300 0.053 0.000 1.015 290 V CB -0.641 31.188 31.823 0.010 0.000 0.642 290 V HN 0.255 nan 8.190 nan 0.000 0.446 291 S N -0.402 115.307 115.700 0.014 0.000 2.359 291 S HA -0.320 4.157 4.470 0.011 0.000 0.224 291 S C 2.009 176.627 174.600 0.029 0.000 1.035 291 S CA 1.867 60.063 58.200 -0.007 0.000 1.018 291 S CB -0.431 62.717 63.200 -0.087 0.000 0.876 291 S HN 0.660 nan 8.310 nan 0.000 0.448 292 Q N 0.793 120.581 119.800 -0.020 0.000 2.135 292 Q HA -0.085 4.262 4.340 0.011 0.000 0.204 292 Q C 2.502 178.661 176.000 0.264 0.000 0.981 292 Q CA 1.363 57.191 55.803 0.042 0.000 0.856 292 Q CB -0.433 28.330 28.738 0.042 0.000 0.902 292 Q HN 0.622 nan 8.270 nan 0.000 0.425 293 A N 0.471 123.365 122.820 0.124 0.000 1.940 293 A HA -0.217 4.110 4.320 0.011 0.000 0.219 293 A C 1.841 179.390 177.584 -0.058 0.000 1.176 293 A CA 1.209 53.145 52.037 -0.168 0.000 0.631 293 A CB -0.796 18.150 19.000 -0.090 0.000 0.814 293 A HN 0.483 nan 8.150 nan 0.000 0.446 294 F N -1.268 118.686 119.950 0.006 0.000 2.102 294 F HA -0.165 4.369 4.527 0.011 0.000 0.298 294 F C 2.031 177.880 175.800 0.082 0.000 1.105 294 F CA 2.065 60.065 58.000 0.001 0.000 1.239 294 F CB -0.414 38.608 39.000 0.036 0.000 0.991 294 F HN 0.475 nan 8.300 nan 0.000 0.474 295 W N 1.037 122.450 121.300 0.188 0.000 2.335 295 W HA -0.261 4.405 4.660 0.011 0.000 0.311 295 W C 2.802 179.373 176.519 0.087 0.000 1.213 295 W CA 2.526 59.962 57.345 0.153 0.000 1.274 295 W CB -0.759 28.784 29.460 0.138 0.000 1.148 295 W HN 0.073 nan 8.180 nan 0.000 0.498 296 H N 0.007 119.283 119.070 0.343 0.000 2.353 296 H HA -0.161 4.401 4.556 0.011 0.000 0.298 296 H C 2.054 177.342 175.328 -0.067 0.000 1.103 296 H CA 1.962 58.102 56.048 0.153 0.000 1.293 296 H CB -0.549 29.313 29.762 0.167 0.000 1.372 296 H HN 0.258 nan 8.280 nan 0.000 0.501 297 E N -0.018 120.135 120.200 -0.077 0.000 2.150 297 E HA -0.160 4.196 4.350 0.011 0.000 0.193 297 E C 2.175 178.591 176.600 -0.306 0.000 0.985 297 E CA 0.387 56.645 56.400 -0.235 0.000 0.814 297 E CB -0.405 28.975 29.700 -0.533 0.000 0.752 297 E HN 0.551 nan 8.360 nan 0.000 0.466 298 W N 3.018 123.978 121.300 -0.566 0.000 2.358 298 W HA -0.225 4.441 4.660 0.011 0.000 0.303 298 W C 2.277 178.527 176.519 -0.447 0.000 1.208 298 W CA 2.326 59.331 57.345 -0.566 0.000 1.274 298 W CB -0.065 29.042 29.460 -0.589 0.000 1.138 298 W HN -0.011 nan 8.180 nan 0.000 0.515 299 R N 0.542 120.563 120.500 -0.798 0.000 2.189 299 R HA 0.027 4.373 4.340 0.011 0.000 0.218 299 R C 1.735 177.683 176.300 -0.587 0.000 1.074 299 R CA 1.591 57.113 56.100 -0.962 0.000 0.991 299 R CB -0.611 29.198 30.300 -0.820 0.000 0.883 299 R HN 0.107 nan 8.270 nan 0.000 0.457 300 K N 0.125 120.286 120.400 -0.399 0.000 2.418 300 K HA 0.118 4.444 4.320 0.011 0.000 0.195 300 K C 0.669 177.120 176.600 -0.248 0.000 1.035 300 K CA 0.637 56.772 56.287 -0.252 0.000 1.003 300 K CB 0.323 32.738 32.500 -0.142 0.000 0.793 300 K HN 0.508 nan 8.250 nan 0.000 0.494 301 G N 1.846 110.454 108.800 -0.320 0.000 2.147 301 G HA2 -0.249 3.717 3.960 0.011 0.000 0.244 301 G HA3 -0.249 3.717 3.960 0.011 0.000 0.244 301 G C 0.470 175.271 174.900 -0.165 0.000 1.005 301 G CA 0.438 45.390 45.100 -0.246 0.000 0.713 301 G HN 0.240 nan 8.290 nan 0.000 0.515 302 N N 0.258 118.854 118.700 -0.173 0.000 2.376 302 N HA 0.066 4.813 4.740 0.011 0.000 0.177 302 N C 1.543 176.981 175.510 -0.120 0.000 1.024 302 N CA 1.291 54.271 53.050 -0.116 0.000 0.893 302 N CB -0.042 38.381 38.487 -0.107 0.000 0.980 302 N HN 0.766 nan 8.380 nan 0.000 0.439 303 T N -0.122 114.318 114.554 -0.189 0.000 2.870 303 T HA 0.330 4.687 4.350 0.011 0.000 0.300 303 T C 0.639 175.297 174.700 -0.070 0.000 0.989 303 T CA -0.596 61.399 62.100 -0.176 0.000 1.139 303 T CB 0.452 69.151 68.868 -0.282 0.000 0.920 303 T HN -0.097 nan 8.240 nan 0.000 0.537 304 I N 2.670 123.213 120.570 -0.044 0.000 2.813 304 I HA 0.199 4.376 4.170 0.011 0.000 0.287 304 I C 1.014 177.131 176.117 -0.001 0.000 1.196 304 I CA 0.364 61.656 61.300 -0.014 0.000 1.421 304 I CB 0.686 38.657 38.000 -0.048 0.000 1.365 304 I HN 0.697 nan 8.210 nan 0.000 0.591 305 S N 3.180 118.895 115.700 0.024 0.000 2.433 305 S HA 0.677 5.153 4.470 0.011 0.000 0.310 305 S C -0.296 174.331 174.600 0.045 0.000 1.097 305 S CA -0.551 57.673 58.200 0.039 0.000 1.103 305 S CB 0.155 63.377 63.200 0.037 0.000 0.992 305 S HN 0.779 nan 8.310 nan 0.000 0.469 306 T N 2.949 117.532 114.554 0.048 0.000 2.907 306 T HA 0.579 4.935 4.350 0.011 0.000 0.292 306 T C -2.110 172.626 174.700 0.060 0.000 1.043 306 T CA -1.884 60.250 62.100 0.056 0.000 1.003 306 T CB 1.302 70.203 68.868 0.055 0.000 1.084 306 T HN 0.270 nan 8.240 nan 0.000 0.483 307 P HA -0.146 nan 4.420 nan 0.000 0.218 307 P C 1.295 178.636 177.300 0.070 0.000 1.152 307 P CA 1.227 64.362 63.100 0.059 0.000 0.857 307 P CB 0.118 31.851 31.700 0.054 0.000 0.787 308 R N -1.317 119.229 120.500 0.077 0.000 2.193 308 R HA 0.266 4.612 4.340 0.011 0.000 0.213 308 R C 1.161 177.530 176.300 0.115 0.000 1.055 308 R CA 0.847 57.007 56.100 0.100 0.000 0.995 308 R CB 0.007 30.365 30.300 0.097 0.000 0.893 308 R HN 0.274 nan 8.270 nan 0.000 0.459 309 G N -0.204 108.645 108.800 0.082 0.000 2.356 309 G HA2 -0.060 3.907 3.960 0.011 0.000 0.300 309 G HA3 -0.060 3.907 3.960 0.011 0.000 0.300 309 G C -1.961 172.982 174.900 0.072 0.000 1.331 309 G CA -1.021 44.117 45.100 0.063 0.000 0.905 309 G HN -0.039 nan 8.290 nan 0.000 0.587 310 D N 0.271 120.730 120.400 0.099 0.000 2.351 310 D HA 0.467 5.114 4.640 0.011 0.000 0.251 310 D C 0.803 177.243 176.300 0.233 0.000 1.137 310 D CA 0.553 54.641 54.000 0.148 0.000 0.879 310 D CB 1.595 42.523 40.800 0.214 0.000 1.181 310 D HN 0.927 nan 8.370 nan 0.000 0.448 311 V N -0.041 119.957 119.914 0.139 0.000 3.074 311 V HA 0.836 4.962 4.120 0.011 0.000 0.314 311 V C -0.186 175.974 176.094 0.110 0.000 1.117 311 V CA -1.022 61.366 62.300 0.147 0.000 1.014 311 V CB 1.699 33.483 31.823 -0.065 0.000 1.057 311 V HN 0.305 nan 8.190 nan 0.000 0.438 312 V N -0.593 119.442 119.914 0.201 0.000 2.919 312 V HA 0.686 4.812 4.120 0.011 0.000 0.316 312 V C -1.117 174.992 176.094 0.024 0.000 1.077 312 V CA -0.853 61.524 62.300 0.130 0.000 0.977 312 V CB 1.699 33.743 31.823 0.368 0.000 1.039 312 V HN 0.837 nan 8.190 nan 0.000 0.441 313 Y N 2.264 122.692 120.300 0.214 0.000 2.341 313 Y HA 0.614 5.170 4.550 0.011 0.000 0.340 313 Y C 0.037 176.024 175.900 0.144 0.000 0.997 313 Y CA -0.787 57.408 58.100 0.159 0.000 1.149 313 Y CB 1.661 40.200 38.460 0.132 0.000 1.171 313 Y HN 0.645 nan 8.280 nan 0.000 0.494 314 L N 4.984 126.386 121.223 0.299 0.000 2.328 314 L HA 0.294 4.640 4.340 0.011 0.000 0.280 314 L C -0.601 176.384 176.870 0.192 0.000 1.111 314 L CA -0.263 54.700 54.840 0.205 0.000 0.909 314 L CB -0.289 41.864 42.059 0.155 0.000 1.277 314 L HN 0.515 nan 8.230 nan 0.000 0.433 315 D N 3.219 123.729 120.400 0.184 0.000 2.325 315 D HA 0.224 4.870 4.640 0.011 0.000 0.251 315 D C 0.615 177.033 176.300 0.197 0.000 1.196 315 D CA 0.222 54.318 54.000 0.160 0.000 0.866 315 D CB 0.785 41.666 40.800 0.134 0.000 1.101 315 D HN 0.569 nan 8.370 nan 0.000 0.476 316 L N 3.487 124.781 121.223 0.118 0.000 2.858 316 L HA 0.270 4.616 4.340 0.011 0.000 0.251 316 L C 2.198 179.031 176.870 -0.062 0.000 1.149 316 L CA -0.408 54.434 54.840 0.002 0.000 0.955 316 L CB 0.106 42.163 42.059 -0.004 0.000 1.289 316 L HN 0.342 nan 8.230 nan 0.000 0.542 317 R N 0.744 121.276 120.500 0.054 0.000 2.134 317 R HA -0.226 4.121 4.340 0.011 0.000 0.248 317 R C 2.092 178.406 176.300 0.024 0.000 1.143 317 R CA 2.117 58.244 56.100 0.045 0.000 0.957 317 R CB -0.608 29.735 30.300 0.071 0.000 0.867 317 R HN 0.582 nan 8.270 nan 0.000 0.441 318 H N -0.060 119.020 119.070 0.017 0.000 2.561 318 H HA -0.009 4.553 4.556 0.011 0.000 0.278 318 H C 1.766 177.105 175.328 0.019 0.000 1.014 318 H CA 0.523 56.579 56.048 0.015 0.000 1.211 318 H CB -0.059 29.709 29.762 0.010 0.000 1.365 318 H HN 0.145 nan 8.280 nan 0.000 0.594 319 L N 1.116 122.069 121.223 -0.450 0.000 2.109 319 L HA 0.099 4.445 4.340 0.011 0.000 0.207 319 L C 0.978 177.791 176.870 -0.095 0.000 1.086 319 L CA 1.695 56.360 54.840 -0.293 0.000 0.760 319 L CB -1.118 40.784 42.059 -0.261 0.000 0.910 319 L HN 0.657 nan 8.230 nan 0.000 0.437 320 G N 0.158 108.925 108.800 -0.054 0.000 2.764 320 G HA2 -0.232 3.734 3.960 0.011 0.000 0.686 320 G HA3 -0.232 3.734 3.960 0.011 0.000 0.686 320 G C 0.587 175.490 174.900 0.004 0.000 1.258 320 G CA 0.007 45.099 45.100 -0.014 0.000 0.846 320 G HN 0.395 nan 8.290 nan 0.000 0.596 321 E N 0.856 121.053 120.200 -0.005 0.000 2.265 321 E HA -0.162 4.194 4.350 0.011 0.000 0.196 321 E C 2.314 178.910 176.600 -0.007 0.000 0.996 321 E CA 1.348 57.736 56.400 -0.021 0.000 0.832 321 E CB 0.052 29.666 29.700 -0.144 0.000 0.756 321 E HN 0.477 nan 8.360 nan 0.000 0.491 322 K N 1.907 122.305 120.400 -0.003 0.000 2.002 322 K HA -0.163 4.163 4.320 0.011 0.000 0.209 322 K C 1.963 178.595 176.600 0.054 0.000 1.048 322 K CA 1.619 57.915 56.287 0.014 0.000 0.930 322 K CB 0.083 32.587 32.500 0.008 0.000 0.714 322 K HN 0.041 nan 8.250 nan 0.000 0.438 323 K N 0.049 120.480 120.400 0.051 0.000 2.243 323 K HA -0.005 4.321 4.320 0.011 0.000 0.201 323 K C 2.158 178.810 176.600 0.086 0.000 1.051 323 K CA 0.760 57.084 56.287 0.061 0.000 0.970 323 K CB -0.270 32.252 32.500 0.037 0.000 0.755 323 K HN 0.052 nan 8.250 nan 0.000 0.465 324 L N 1.222 122.508 121.223 0.105 0.000 1.956 324 L HA -0.227 4.119 4.340 0.011 0.000 0.216 324 L C 2.432 179.407 176.870 0.174 0.000 1.073 324 L CA 1.732 56.658 54.840 0.144 0.000 0.762 324 L CB -0.583 41.603 42.059 0.211 0.000 0.889 324 L HN 0.295 nan 8.230 nan 0.000 0.433 325 H N -1.353 117.740 119.070 0.038 0.000 2.495 325 H HA -0.122 4.440 4.556 0.011 0.000 0.287 325 H C 2.022 177.388 175.328 0.063 0.000 1.033 325 H CA 1.027 57.105 56.048 0.050 0.000 1.307 325 H CB 0.068 29.854 29.762 0.039 0.000 1.401 325 H HN 0.383 nan 8.280 nan 0.000 0.555 326 E N 0.645 120.946 120.200 0.168 0.000 2.086 326 E HA -0.087 4.270 4.350 0.011 0.000 0.190 326 E C 1.622 178.300 176.600 0.130 0.000 0.975 326 E CA 0.587 57.065 56.400 0.130 0.000 0.813 326 E CB 0.310 30.074 29.700 0.108 0.000 0.768 326 E HN 0.396 nan 8.360 nan 0.000 0.457 327 R N -0.569 120.003 120.500 0.121 0.000 2.142 327 R HA 0.281 4.627 4.340 0.011 0.000 0.204 327 R C 0.558 176.932 176.300 0.123 0.000 1.059 327 R CA 0.309 56.486 56.100 0.128 0.000 1.055 327 R CB 0.542 30.901 30.300 0.097 0.000 0.976 327 R HN 0.047 nan 8.270 nan 0.000 0.483 328 L N 2.311 123.590 121.223 0.093 0.000 2.457 328 L HA 0.357 4.703 4.340 0.011 0.000 0.252 328 L C -2.145 174.742 176.870 0.029 0.000 1.132 328 L CA -1.401 53.490 54.840 0.084 0.000 0.938 328 L CB 2.058 44.158 42.059 0.069 0.000 1.246 328 L HN -0.022 nan 8.230 nan 0.000 0.476 329 P HA -0.027 nan 4.420 nan 0.000 0.223 329 P C 1.505 178.806 177.300 0.002 0.000 1.148 329 P CA 0.274 63.325 63.100 -0.082 0.000 0.870 329 P CB 0.413 32.091 31.700 -0.036 0.000 0.859 330 F N 1.656 121.571 119.950 -0.059 0.000 2.134 330 F HA -0.126 4.408 4.527 0.011 0.000 0.299 330 F C 1.990 177.776 175.800 -0.024 0.000 1.097 330 F CA 1.050 59.026 58.000 -0.041 0.000 1.264 330 F CB -0.950 38.039 39.000 -0.018 0.000 1.001 330 F HN -0.313 nan 8.300 nan 0.000 0.479 331 I N 0.173 120.722 120.570 -0.035 0.000 2.248 331 I HA -0.364 3.812 4.170 0.011 0.000 0.248 331 I C 2.666 178.711 176.117 -0.120 0.000 1.107 331 I CA 1.184 62.420 61.300 -0.105 0.000 1.373 331 I CB -2.037 35.963 38.000 0.001 0.000 1.055 331 I HN 0.256 nan 8.210 nan 0.000 0.418 332 C N 0.524 119.762 119.300 -0.103 0.000 2.413 332 C HA -0.154 4.312 4.460 0.011 0.000 0.276 332 C C 2.629 177.552 174.990 -0.111 0.000 1.236 332 C CA 0.492 59.451 59.018 -0.098 0.000 1.735 332 C CB -1.168 26.477 27.740 -0.157 0.000 2.031 332 C HN 0.522 nan 8.230 nan 0.000 0.474 333 E N 0.934 121.043 120.200 -0.152 0.000 2.051 333 E HA -0.169 4.187 4.350 0.011 0.000 0.192 333 E C 2.117 178.591 176.600 -0.209 0.000 0.991 333 E CA 1.120 57.425 56.400 -0.159 0.000 0.799 333 E CB -0.273 29.347 29.700 -0.134 0.000 0.748 333 E HN 0.639 nan 8.360 nan 0.000 0.449 334 L N 0.815 121.876 121.223 -0.270 0.000 1.976 334 L HA -0.208 4.138 4.340 0.011 0.000 0.209 334 L C 2.736 179.572 176.870 -0.056 0.000 1.071 334 L CA 1.188 55.936 54.840 -0.153 0.000 0.746 334 L CB -0.736 41.231 42.059 -0.154 0.000 0.890 334 L HN 0.124 nan 8.230 nan 0.000 0.432 335 A N 0.271 123.064 122.820 -0.045 0.000 1.903 335 A HA -0.297 4.030 4.320 0.011 0.000 0.219 335 A C 2.339 179.915 177.584 -0.014 0.000 1.191 335 A CA 2.317 54.355 52.037 0.001 0.000 0.638 335 A CB -0.581 18.423 19.000 0.007 0.000 0.823 335 A HN 0.367 nan 8.150 nan 0.000 0.451 336 K N -0.836 119.534 120.400 -0.051 0.000 2.063 336 K HA -0.104 4.222 4.320 0.011 0.000 0.208 336 K C 2.263 178.808 176.600 -0.092 0.000 1.048 336 K CA 1.358 57.612 56.287 -0.055 0.000 0.928 336 K CB -0.266 32.199 32.500 -0.058 0.000 0.713 336 K HN 0.508 nan 8.250 nan 0.000 0.442 337 A N -0.100 122.609 122.820 -0.184 0.000 1.871 337 A HA -0.016 4.311 4.320 0.011 0.000 0.211 337 A C 1.843 179.268 177.584 -0.266 0.000 1.207 337 A CA 0.692 52.543 52.037 -0.310 0.000 0.620 337 A CB -0.591 18.066 19.000 -0.571 0.000 0.860 337 A HN 0.256 nan 8.150 nan 0.000 0.450 338 Y N -0.321 119.962 120.300 -0.029 0.000 2.420 338 Y HA 0.008 4.565 4.550 0.011 0.000 0.292 338 Y C 2.052 177.953 175.900 0.001 0.000 1.119 338 Y CA 1.103 59.193 58.100 -0.017 0.000 1.229 338 Y CB 0.446 38.888 38.460 -0.029 0.000 1.026 338 Y HN 0.257 nan 8.280 nan 0.000 0.554 339 V N -4.721 115.273 119.914 0.133 0.000 3.432 339 V HA 0.548 4.674 4.120 0.011 0.000 0.298 339 V C 1.238 177.375 176.094 0.071 0.000 1.464 339 V CA 0.214 62.575 62.300 0.102 0.000 1.046 339 V CB 0.170 32.056 31.823 0.106 0.000 0.887 339 V HN 0.300 nan 8.190 nan 0.000 0.441 340 G N 0.821 109.645 108.800 0.039 0.000 2.221 340 G HA2 -0.187 3.780 3.960 0.011 0.000 0.265 340 G HA3 -0.187 3.780 3.960 0.011 0.000 0.265 340 G C -0.063 174.857 174.900 0.033 0.000 1.041 340 G CA 0.391 45.505 45.100 0.023 0.000 0.807 340 G HN 0.966 nan 8.290 nan 0.000 0.502 341 V N 0.625 120.562 119.914 0.039 0.000 2.409 341 V HA 0.376 4.503 4.120 0.011 0.000 0.291 341 V C -0.121 175.992 176.094 0.032 0.000 1.020 341 V CA -1.080 61.249 62.300 0.048 0.000 0.848 341 V CB 1.867 33.739 31.823 0.081 0.000 0.990 341 V HN 0.318 nan 8.190 nan 0.000 0.430 342 D N 7.872 128.289 120.400 0.029 0.000 2.336 342 D HA 0.217 4.863 4.640 0.011 0.000 0.249 342 D C -1.436 174.884 176.300 0.034 0.000 1.213 342 D CA -1.640 52.376 54.000 0.028 0.000 0.870 342 D CB 2.132 42.947 40.800 0.026 0.000 1.076 342 D HN 0.291 nan 8.370 nan 0.000 0.483 343 P HA -0.073 nan 4.420 nan 0.000 0.239 343 P C 1.047 178.370 177.300 0.038 0.000 1.184 343 P CA 0.382 63.506 63.100 0.039 0.000 0.760 343 P CB 0.501 32.220 31.700 0.032 0.000 0.884 344 V N -0.353 119.587 119.914 0.043 0.000 3.263 344 V HA 0.060 4.187 4.120 0.011 0.000 0.248 344 V C 2.548 178.657 176.094 0.024 0.000 1.145 344 V CA 1.191 63.512 62.300 0.034 0.000 1.107 344 V CB -0.694 31.153 31.823 0.040 0.000 0.797 344 V HN 0.134 nan 8.190 nan 0.000 0.467 345 K N 0.318 120.731 120.400 0.022 0.000 2.276 345 K HA 0.122 4.448 4.320 0.011 0.000 0.198 345 K C 0.768 177.371 176.600 0.005 0.000 1.052 345 K CA 0.551 56.846 56.287 0.013 0.000 0.984 345 K CB 0.633 33.140 32.500 0.013 0.000 0.836 345 K HN 0.376 nan 8.250 nan 0.000 0.490 346 E N 0.642 120.847 120.200 0.008 0.000 2.392 346 E HA 0.421 4.777 4.350 0.011 0.000 0.269 346 E C -2.830 173.768 176.600 -0.004 0.000 0.924 346 E CA -2.793 53.602 56.400 -0.009 0.000 0.784 346 E CB 2.249 31.953 29.700 0.006 0.000 1.292 346 E HN -0.042 nan 8.360 nan 0.000 0.447 347 P HA 0.414 nan 4.420 nan 0.000 0.290 347 P C -0.656 176.760 177.300 0.194 0.000 1.275 347 P CA -0.362 62.737 63.100 -0.002 0.000 0.841 347 P CB 0.957 32.499 31.700 -0.263 0.000 1.042 348 I N 3.586 124.321 120.570 0.275 0.000 2.331 348 I HA 0.275 4.451 4.170 0.011 0.000 0.292 348 I C -2.204 174.097 176.117 0.306 0.000 0.998 348 I CA -2.758 58.697 61.300 0.260 0.000 1.267 348 I CB 1.430 39.522 38.000 0.152 0.000 1.386 348 I HN 0.079 nan 8.210 nan 0.000 0.476 349 P HA 0.134 nan 4.420 nan 0.000 0.276 349 P C -0.884 176.447 177.300 0.053 0.000 1.253 349 P CA -0.156 62.963 63.100 0.031 0.000 0.766 349 P CB 0.761 32.468 31.700 0.012 0.000 0.845 350 V N 1.758 121.700 119.914 0.048 0.000 2.789 350 V HA 0.733 4.860 4.120 0.011 0.000 0.311 350 V C -0.494 175.590 176.094 -0.016 0.000 1.073 350 V CA -0.954 61.370 62.300 0.041 0.000 0.921 350 V CB 2.739 34.608 31.823 0.076 0.000 1.009 350 V HN 0.391 nan 8.190 nan 0.000 0.426 351 R N 3.376 123.798 120.500 -0.130 0.000 2.621 351 R HA 0.557 4.903 4.340 0.011 0.000 0.284 351 R C -3.057 173.021 176.300 -0.369 0.000 0.998 351 R CA -2.154 53.685 56.100 -0.436 0.000 0.895 351 R CB 3.190 33.312 30.300 -0.296 0.000 1.195 351 R HN 0.639 nan 8.270 nan 0.000 0.450 352 P HA 0.041 nan 4.420 nan 0.000 0.264 352 P C -1.005 176.318 177.300 0.039 0.000 1.193 352 P CA 0.214 63.202 63.100 -0.187 0.000 0.763 352 P CB 0.845 32.392 31.700 -0.255 0.000 0.810 353 T N 1.362 116.023 114.554 0.177 0.000 2.912 353 T HA 0.513 4.869 4.350 0.011 0.000 0.299 353 T C -0.367 174.234 174.700 -0.165 0.000 1.052 353 T CA -0.440 61.709 62.100 0.082 0.000 0.996 353 T CB 1.664 70.562 68.868 0.051 0.000 1.070 353 T HN 0.395 nan 8.240 nan 0.000 0.465 354 A N 1.396 123.889 122.820 -0.544 0.000 2.522 354 A HA 0.362 4.689 4.320 0.011 0.000 0.256 354 A C 0.478 177.862 177.584 -0.334 0.000 1.086 354 A CA 0.479 51.981 52.037 -0.890 0.000 0.763 354 A CB -0.289 18.100 19.000 -1.018 0.000 1.024 354 A HN 1.131 nan 8.150 nan 0.000 0.502 355 H N 1.051 119.925 119.070 -0.327 0.000 2.824 355 H HA 0.336 4.899 4.556 0.011 0.000 0.238 355 H C -0.904 174.442 175.328 0.029 0.000 0.931 355 H CA 0.470 56.474 56.048 -0.074 0.000 1.090 355 H CB 0.453 30.257 29.762 0.071 0.000 1.433 355 H HN 0.683 nan 8.280 nan 0.000 0.437 356 Y N 0.613 120.830 120.300 -0.138 0.000 2.479 356 Y HA 0.380 4.937 4.550 0.011 0.000 0.338 356 Y C -1.144 174.685 175.900 -0.118 0.000 1.055 356 Y CA -0.909 57.106 58.100 -0.141 0.000 1.023 356 Y CB 1.941 40.388 38.460 -0.022 0.000 1.287 356 Y HN 0.011 nan 8.280 nan 0.000 0.447 357 T N 6.911 121.016 114.554 -0.748 0.000 3.151 357 T HA 0.136 4.492 4.350 0.011 0.000 0.332 357 T C 1.032 175.484 174.700 -0.415 0.000 1.245 357 T CA -0.437 61.386 62.100 -0.462 0.000 1.019 357 T CB 0.301 68.936 68.868 -0.388 0.000 1.109 357 T HN 0.706 nan 8.240 nan 0.000 0.621 358 M N 1.930 121.534 119.600 0.008 0.000 2.202 358 M HA 0.066 4.552 4.480 0.011 0.000 0.262 358 M C 1.820 178.179 176.300 0.097 0.000 1.063 358 M CA 0.813 56.208 55.300 0.160 0.000 1.097 358 M CB -0.566 32.168 32.600 0.222 0.000 1.382 358 M HN 0.692 nan 8.290 nan 0.000 0.413 359 G N -0.943 107.900 108.800 0.070 0.000 2.716 359 G HA2 0.460 4.427 3.960 0.011 0.000 0.251 359 G HA3 0.460 4.427 3.960 0.011 0.000 0.251 359 G C 0.131 175.012 174.900 -0.031 0.000 1.224 359 G CA -0.017 45.112 45.100 0.048 0.000 0.891 359 G HN 0.648 nan 8.290 nan 0.000 0.561 360 G N -1.705 107.069 108.800 -0.043 0.000 2.337 360 G HA2 0.314 4.281 3.960 0.011 0.000 0.298 360 G HA3 0.314 4.281 3.960 0.011 0.000 0.298 360 G C -0.636 174.208 174.900 -0.093 0.000 1.335 360 G CA -0.887 44.166 45.100 -0.078 0.000 0.875 360 G HN 0.777 nan 8.290 nan 0.000 0.579 361 I N 1.404 121.912 120.570 -0.104 0.000 2.742 361 I HA 0.029 4.206 4.170 0.011 0.000 0.287 361 I C 1.209 177.248 176.117 -0.131 0.000 1.186 361 I CA 0.352 61.581 61.300 -0.119 0.000 1.417 361 I CB 0.651 38.587 38.000 -0.107 0.000 1.377 361 I HN 0.540 nan 8.210 nan 0.000 0.556 362 E N 6.872 126.978 120.200 -0.156 0.000 2.415 362 E HA 0.025 4.381 4.350 0.011 0.000 0.260 362 E C -0.380 176.129 176.600 -0.152 0.000 1.016 362 E CA -0.038 56.263 56.400 -0.166 0.000 0.924 362 E CB 0.590 30.178 29.700 -0.187 0.000 0.961 362 E HN 0.691 nan 8.360 nan 0.000 0.459 363 T N 1.500 115.963 114.554 -0.150 0.000 2.916 363 T HA 0.317 4.673 4.350 0.011 0.000 0.292 363 T C -0.260 174.364 174.700 -0.127 0.000 1.055 363 T CA -1.075 60.944 62.100 -0.135 0.000 1.009 363 T CB 1.664 70.469 68.868 -0.106 0.000 1.118 363 T HN 0.476 nan 8.240 nan 0.000 0.497 364 D N 1.005 121.340 120.400 -0.107 0.000 2.506 364 D HA 0.184 4.830 4.640 0.011 0.000 0.272 364 D C 1.012 177.283 176.300 -0.049 0.000 1.214 364 D CA -0.593 53.359 54.000 -0.079 0.000 1.067 364 D CB 0.407 41.163 40.800 -0.073 0.000 1.117 364 D HN 0.514 nan 8.370 nan 0.000 0.578 365 Q N -0.817 118.963 119.800 -0.033 0.000 2.368 365 Q HA -0.039 4.307 4.340 0.011 0.000 0.210 365 Q C 0.647 176.629 176.000 -0.030 0.000 0.982 365 Q CA 1.099 56.889 55.803 -0.022 0.000 0.884 365 Q CB -0.303 28.412 28.738 -0.039 0.000 0.933 365 Q HN 0.364 nan 8.270 nan 0.000 0.460 366 N N -1.179 117.522 118.700 0.002 0.000 2.270 366 N HA 0.077 4.823 4.740 0.011 0.000 0.198 366 N C -0.352 175.287 175.510 0.214 0.000 1.117 366 N CA 0.215 53.308 53.050 0.070 0.000 0.845 366 N CB 0.410 38.958 38.487 0.102 0.000 0.980 366 N HN 0.186 nan 8.380 nan 0.000 0.486 367 C N 0.281 119.668 119.300 0.146 0.000 4.497 367 C HA -0.169 4.297 4.460 0.011 0.000 0.268 367 C C 0.681 175.730 174.990 0.098 0.000 1.343 367 C CA -0.105 59.021 59.018 0.180 0.000 1.742 367 C CB -2.432 25.494 27.740 0.311 0.000 1.450 367 C HN 0.486 nan 8.230 nan 0.000 0.733 368 E N 1.008 121.119 120.200 -0.148 0.000 2.277 368 E HA 0.481 4.837 4.350 0.011 0.000 0.274 368 E C 0.881 177.263 176.600 -0.363 0.000 1.022 368 E CA 0.440 56.471 56.400 -0.616 0.000 0.853 368 E CB 1.118 30.382 29.700 -0.726 0.000 1.086 368 E HN 0.583 nan 8.360 nan 0.000 0.397 369 T N 0.535 114.854 114.554 -0.393 0.000 2.849 369 T HA 0.286 4.642 4.350 0.011 0.000 0.276 369 T C 1.152 175.726 174.700 -0.209 0.000 0.971 369 T CA -0.622 61.330 62.100 -0.246 0.000 0.949 369 T CB 0.969 69.707 68.868 -0.216 0.000 1.093 369 T HN 0.495 nan 8.240 nan 0.000 0.545 370 R N -0.574 119.844 120.500 -0.138 0.000 2.159 370 R HA 0.062 4.409 4.340 0.011 0.000 0.237 370 R C 0.376 176.613 176.300 -0.105 0.000 1.131 370 R CA 0.886 56.932 56.100 -0.090 0.000 0.982 370 R CB -0.554 29.730 30.300 -0.027 0.000 0.868 370 R HN 0.592 nan 8.270 nan 0.000 0.453 371 I N 1.825 122.310 120.570 -0.143 0.000 2.325 371 I HA 0.053 4.229 4.170 0.011 0.000 0.291 371 I C 0.333 176.282 176.117 -0.279 0.000 1.019 371 I CA -0.366 60.834 61.300 -0.167 0.000 1.302 371 I CB 1.215 39.127 38.000 -0.146 0.000 1.401 371 I HN -0.092 nan 8.210 nan 0.000 0.485 372 K N 4.935 125.155 120.400 -0.299 0.000 2.447 372 K HA 0.218 4.544 4.320 0.011 0.000 0.281 372 K C 1.042 177.198 176.600 -0.741 0.000 1.031 372 K CA 1.076 57.108 56.287 -0.425 0.000 1.019 372 K CB 0.366 32.712 32.500 -0.256 0.000 0.918 372 K HN 0.902 nan 8.250 nan 0.000 0.476 373 G N 2.995 111.479 108.800 -0.526 0.000 2.234 373 G HA2 -0.259 3.707 3.960 0.011 0.000 0.235 373 G HA3 -0.259 3.707 3.960 0.011 0.000 0.235 373 G C -0.398 174.411 174.900 -0.151 0.000 0.997 373 G CA 0.113 45.045 45.100 -0.279 0.000 0.623 373 G HN 0.553 nan 8.290 nan 0.000 0.514 374 L N 1.781 122.800 121.223 -0.341 0.000 2.260 374 L HA 0.817 5.163 4.340 0.011 0.000 0.289 374 L C -0.599 176.060 176.870 -0.352 0.000 1.057 374 L CA -1.079 53.631 54.840 -0.218 0.000 0.811 374 L CB 0.115 42.045 42.059 -0.215 0.000 1.184 374 L HN 0.040 nan 8.230 nan 0.000 0.429 375 F N 3.959 123.853 119.950 -0.094 0.000 2.507 375 F HA 0.818 5.349 4.527 0.007 0.000 0.327 375 F C 0.339 176.093 175.800 -0.076 0.000 1.068 375 F CA -0.451 57.504 58.000 -0.075 0.000 0.965 375 F CB 1.931 40.900 39.000 -0.052 0.000 1.192 375 F HN 0.594 nan 8.300 nan 0.000 0.476 376 A N 1.899 124.781 122.820 0.103 0.000 2.356 376 A HA 0.800 5.126 4.320 0.011 0.000 0.310 376 A C -1.693 175.918 177.584 0.045 0.000 1.075 376 A CA -0.795 51.261 52.037 0.032 0.000 0.746 376 A CB 1.696 20.672 19.000 -0.040 0.000 1.221 376 A HN 0.687 nan 8.150 nan 0.000 0.443 377 V N 2.269 122.205 119.914 0.035 0.000 2.925 377 V HA 0.838 4.964 4.120 0.011 0.000 0.311 377 V C 0.617 176.732 176.094 0.035 0.000 1.104 377 V CA 1.151 63.482 62.300 0.051 0.000 0.954 377 V CB 1.617 33.496 31.823 0.093 0.000 1.022 377 V HN 2.785 nan 8.190 nan 0.000 0.427 378 G N 4.385 113.215 108.800 0.049 0.000 2.512 378 G HA2 -0.268 3.698 3.960 0.011 0.000 0.240 378 G HA3 -0.268 3.698 3.960 0.011 0.000 0.240 378 G C 0.627 175.548 174.900 0.035 0.000 1.246 378 G CA 0.849 45.992 45.100 0.071 0.000 0.919 378 G HN 1.110 nan 8.290 nan 0.000 0.577 379 E N -0.416 119.795 120.200 0.019 0.000 2.152 379 E HA -0.077 4.280 4.350 0.011 0.000 0.192 379 E C 2.709 179.231 176.600 -0.131 0.000 0.983 379 E CA 1.857 58.213 56.400 -0.073 0.000 0.818 379 E CB -0.318 29.289 29.700 -0.154 0.000 0.758 379 E HN 0.921 nan 8.360 nan 0.000 0.467 380 C N 0.898 120.140 119.300 -0.097 0.000 2.449 380 C HA 0.104 4.570 4.460 0.011 0.000 0.283 380 C C 1.520 176.454 174.990 -0.093 0.000 1.453 380 C CA -0.143 58.812 59.018 -0.106 0.000 1.779 380 C CB -1.461 26.220 27.740 -0.099 0.000 1.779 380 C HN 0.249 nan 8.230 nan 0.000 0.546 381 S N 0.385 116.039 115.700 -0.077 0.000 2.693 381 S HA 0.541 5.017 4.470 0.011 0.000 0.276 381 S C -0.242 174.306 174.600 -0.086 0.000 1.192 381 S CA 0.096 58.246 58.200 -0.083 0.000 0.994 381 S CB 1.348 64.500 63.200 -0.080 0.000 1.012 381 S HN 0.570 nan 8.310 nan 0.000 0.550 382 S N 0.906 116.543 115.700 -0.105 0.000 2.542 382 S HA 0.318 4.794 4.470 0.011 0.000 0.245 382 S C 0.637 175.137 174.600 -0.166 0.000 1.325 382 S CA -0.480 57.658 58.200 -0.104 0.000 1.176 382 S CB -0.255 62.894 63.200 -0.084 0.000 1.045 382 S HN 0.977 nan 8.310 nan 0.000 0.481 383 V N 2.220 121.995 119.914 -0.231 0.000 2.591 383 V HA 0.387 4.513 4.120 0.011 0.000 0.249 383 V C 1.683 177.631 176.094 -0.243 0.000 1.053 383 V CA 1.257 63.375 62.300 -0.303 0.000 1.068 383 V CB -1.133 30.322 31.823 -0.614 0.000 0.689 383 V HN 1.242 nan 8.190 nan 0.000 0.462 384 G N -0.011 108.658 108.800 -0.219 0.000 2.183 384 G HA2 -0.194 3.772 3.960 0.011 0.000 0.168 384 G HA3 -0.194 3.772 3.960 0.011 0.000 0.168 384 G C 0.359 175.165 174.900 -0.157 0.000 1.008 384 G CA 0.260 45.283 45.100 -0.129 0.000 0.677 384 G HN 0.550 nan 8.290 nan 0.000 0.498 385 L N 0.209 121.236 121.223 -0.327 0.000 2.068 385 L HA 0.322 4.668 4.340 0.011 0.000 0.204 385 L C 2.225 178.782 176.870 -0.521 0.000 1.076 385 L CA 2.451 56.986 54.840 -0.510 0.000 0.753 385 L CB -0.453 41.077 42.059 -0.882 0.000 0.910 385 L HN 0.313 nan 8.230 nan 0.000 0.439 386 H N -0.403 118.548 119.070 -0.198 0.000 2.525 386 H HA 0.283 4.845 4.556 0.010 0.000 0.275 386 H C 1.617 176.843 175.328 -0.171 0.000 0.984 386 H CA 0.615 56.561 56.048 -0.169 0.000 1.264 386 H CB -0.135 29.574 29.762 -0.089 0.000 1.432 386 H HN 0.488 nan 8.280 nan 0.000 0.549 387 G N 1.162 109.928 108.800 -0.057 0.000 2.634 387 G HA2 -0.423 3.543 3.960 0.011 0.000 0.318 387 G HA3 -0.423 3.543 3.960 0.011 0.000 0.318 387 G C 1.331 176.022 174.900 -0.349 0.000 1.207 387 G CA 1.595 46.606 45.100 -0.148 0.000 0.987 387 G HN 0.594 nan 8.290 nan 0.000 0.547 388 A N -0.298 122.216 122.820 -0.510 0.000 2.220 388 A HA 0.554 4.880 4.320 0.011 0.000 0.211 388 A C 0.852 178.179 177.584 -0.428 0.000 1.176 388 A CA 1.623 53.047 52.037 -1.020 0.000 0.834 388 A CB 0.085 18.588 19.000 -0.828 0.000 0.868 388 A HN 1.178 nan 8.150 nan 0.000 0.488 389 N N -0.769 117.823 118.700 -0.181 0.000 2.554 389 N HA 0.186 4.932 4.740 0.011 0.000 0.271 389 N C -1.086 174.406 175.510 -0.029 0.000 1.081 389 N CA -0.447 52.578 53.050 -0.042 0.000 0.994 389 N CB 1.333 39.806 38.487 -0.022 0.000 1.641 389 N HN 0.337 nan 8.380 nan 0.000 0.511 390 R N 2.092 122.567 120.500 -0.042 0.000 2.582 390 R HA 0.396 4.742 4.340 0.011 0.000 0.271 390 R C -0.650 175.623 176.300 -0.045 0.000 1.078 390 R CA -0.432 55.612 56.100 -0.093 0.000 1.127 390 R CB 0.513 30.477 30.300 -0.559 0.000 1.038 390 R HN 0.442 nan 8.270 nan 0.000 0.500 391 L N 3.323 124.567 121.223 0.034 0.000 2.265 391 L HA 0.335 4.681 4.340 0.011 0.000 0.288 391 L C 0.161 177.073 176.870 0.071 0.000 1.058 391 L CA 0.329 55.201 54.840 0.053 0.000 0.809 391 L CB 1.193 43.309 42.059 0.095 0.000 1.179 391 L HN 0.822 nan 8.230 nan 0.000 0.429 392 G N 3.423 112.271 108.800 0.080 0.000 2.138 392 G HA2 0.293 4.260 3.960 0.011 0.000 0.244 392 G HA3 0.293 4.260 3.960 0.011 0.000 0.244 392 G C 0.740 175.768 174.900 0.213 0.000 1.166 392 G CA 0.605 45.798 45.100 0.155 0.000 0.902 392 G HN 1.733 nan 8.290 nan 0.000 0.460 393 S N 0.625 116.423 115.700 0.163 0.000 2.765 393 S HA -0.238 4.238 4.470 0.011 0.000 0.266 393 S C 1.215 175.932 174.600 0.194 0.000 1.302 393 S CA 1.018 59.294 58.200 0.128 0.000 1.274 393 S CB -1.726 61.526 63.200 0.087 0.000 1.559 393 S HN 0.633 nan 8.310 nan 0.000 0.658 394 N N 1.208 120.043 118.700 0.224 0.000 2.424 394 N HA 0.236 4.982 4.740 0.011 0.000 0.178 394 N C 1.592 177.293 175.510 0.320 0.000 1.060 394 N CA 1.106 54.370 53.050 0.356 0.000 0.901 394 N CB -0.072 38.606 38.487 0.319 0.000 0.979 394 N HN 0.639 nan 8.380 nan 0.000 0.451 395 S N 0.256 116.053 115.700 0.162 0.000 2.345 395 S HA 0.095 4.572 4.470 0.011 0.000 0.219 395 S C 1.901 176.638 174.600 0.229 0.000 1.031 395 S CA 0.560 58.844 58.200 0.139 0.000 0.984 395 S CB -0.200 62.957 63.200 -0.071 0.000 0.874 395 S HN 0.192 nan 8.310 nan 0.000 0.451 396 L N 1.418 122.763 121.223 0.203 0.000 1.990 396 L HA -0.163 4.183 4.340 0.011 0.000 0.213 396 L C 2.976 180.001 176.870 0.258 0.000 1.072 396 L CA 1.488 56.455 54.840 0.211 0.000 0.755 396 L CB -0.874 41.299 42.059 0.190 0.000 0.889 396 L HN 0.427 nan 8.230 nan 0.000 0.432 397 A N -0.287 122.709 122.820 0.294 0.000 1.884 397 A HA -0.339 3.988 4.320 0.011 0.000 0.219 397 A C 2.257 180.158 177.584 0.529 0.000 1.197 397 A CA 2.270 54.515 52.037 0.347 0.000 0.637 397 A CB -0.810 18.427 19.000 0.395 0.000 0.827 397 A HN 0.537 nan 8.150 nan 0.000 0.450 398 E N -0.178 120.395 120.200 0.621 0.000 2.086 398 E HA -0.251 4.105 4.350 0.011 0.000 0.200 398 E C 1.978 178.880 176.600 0.502 0.000 1.012 398 E CA 1.690 58.445 56.400 0.591 0.000 0.812 398 E CB -0.320 29.531 29.700 0.252 0.000 0.743 398 E HN 0.659 nan 8.360 nan 0.000 0.453 399 L N 0.424 121.852 121.223 0.341 0.000 1.997 399 L HA -0.249 4.097 4.340 0.011 0.000 0.216 399 L C 2.819 179.841 176.870 0.254 0.000 1.074 399 L CA 1.875 56.872 54.840 0.261 0.000 0.763 399 L CB -0.978 41.203 42.059 0.204 0.000 0.890 399 L HN 0.240 nan 8.230 nan 0.000 0.434 400 V N -4.170 115.889 119.914 0.242 0.000 2.591 400 V HA -0.093 4.033 4.120 0.011 0.000 0.249 400 V C 2.258 178.452 176.094 0.166 0.000 1.053 400 V CA 1.042 63.459 62.300 0.195 0.000 1.068 400 V CB -0.481 31.448 31.823 0.177 0.000 0.689 400 V HN 0.190 nan 8.190 nan 0.000 0.462 401 V N -0.043 119.991 119.914 0.200 0.000 2.270 401 V HA -0.114 4.013 4.120 0.011 0.000 0.245 401 V C 2.381 178.477 176.094 0.003 0.000 1.043 401 V CA 2.475 64.820 62.300 0.074 0.000 1.014 401 V CB -0.768 31.111 31.823 0.093 0.000 0.645 401 V HN 0.495 nan 8.190 nan 0.000 0.447 402 F N 0.861 120.934 119.950 0.206 0.000 2.473 402 F HA 0.196 4.728 4.527 0.010 0.000 0.294 402 F C 2.352 178.200 175.800 0.080 0.000 1.103 402 F CA 0.912 58.998 58.000 0.143 0.000 1.442 402 F CB -1.006 38.069 39.000 0.124 0.000 1.097 402 F HN 0.174 nan 8.300 nan 0.000 0.547 403 G N 0.253 109.201 108.800 0.246 0.000 2.440 403 G HA2 -0.294 3.673 3.960 0.011 0.000 0.218 403 G HA3 -0.294 3.673 3.960 0.011 0.000 0.218 403 G C 1.835 176.778 174.900 0.072 0.000 1.154 403 G CA 0.846 46.027 45.100 0.134 0.000 0.767 403 G HN 0.230 nan 8.290 nan 0.000 0.552 404 R N -0.335 120.211 120.500 0.077 0.000 2.073 404 R HA -0.041 4.305 4.340 0.011 0.000 0.234 404 R C 2.510 178.807 176.300 -0.005 0.000 1.134 404 R CA 1.588 57.710 56.100 0.037 0.000 0.952 404 R CB -0.454 29.871 30.300 0.042 0.000 0.850 404 R HN 0.363 nan 8.270 nan 0.000 0.433 405 L N 0.853 122.073 121.223 -0.004 0.000 2.017 405 L HA -0.068 4.278 4.340 0.011 0.000 0.208 405 L C 2.377 179.210 176.870 -0.061 0.000 1.073 405 L CA 2.234 57.052 54.840 -0.036 0.000 0.745 405 L CB -0.731 41.285 42.059 -0.073 0.000 0.894 405 L HN 0.264 nan 8.230 nan 0.000 0.432 406 A N -0.506 122.296 122.820 -0.029 0.000 1.908 406 A HA -0.118 4.208 4.320 0.011 0.000 0.218 406 A C 2.342 179.737 177.584 -0.315 0.000 1.181 406 A CA 1.711 53.656 52.037 -0.154 0.000 0.627 406 A CB -1.662 17.319 19.000 -0.031 0.000 0.818 406 A HN 0.553 nan 8.150 nan 0.000 0.445 407 G N -0.602 108.091 108.800 -0.178 0.000 2.418 407 G HA2 -0.215 3.751 3.960 0.011 0.000 0.217 407 G HA3 -0.215 3.751 3.960 0.011 0.000 0.217 407 G C 1.452 176.240 174.900 -0.187 0.000 1.158 407 G CA 1.020 46.013 45.100 -0.179 0.000 0.771 407 G HN 0.662 nan 8.290 nan 0.000 0.545 408 E N -0.169 119.945 120.200 -0.142 0.000 2.047 408 E HA -0.116 4.241 4.350 0.011 0.000 0.191 408 E C 2.775 179.292 176.600 -0.140 0.000 0.987 408 E CA 0.855 57.189 56.400 -0.110 0.000 0.799 408 E CB -0.050 29.611 29.700 -0.065 0.000 0.752 408 E HN 0.266 nan 8.360 nan 0.000 0.449 409 Q N 0.046 119.728 119.800 -0.197 0.000 2.119 409 Q HA -0.071 4.276 4.340 0.011 0.000 0.201 409 Q C 2.137 177.956 176.000 -0.301 0.000 0.972 409 Q CA 1.320 57.017 55.803 -0.177 0.000 0.847 409 Q CB -0.296 28.391 28.738 -0.085 0.000 0.903 409 Q HN 0.244 nan 8.270 nan 0.000 0.433 410 A N 0.259 122.663 122.820 -0.695 0.000 1.969 410 A HA -0.111 4.216 4.320 0.011 0.000 0.218 410 A C 2.281 179.756 177.584 -0.182 0.000 1.169 410 A CA 1.704 53.374 52.037 -0.612 0.000 0.635 410 A CB -0.591 17.963 19.000 -0.744 0.000 0.810 410 A HN 0.361 nan 8.150 nan 0.000 0.445 411 T N -0.189 114.271 114.554 -0.157 0.000 2.746 411 T HA -0.149 4.207 4.350 0.011 0.000 0.267 411 T C 1.787 176.473 174.700 -0.024 0.000 1.039 411 T CA 1.622 63.679 62.100 -0.071 0.000 1.142 411 T CB -0.209 68.617 68.868 -0.070 0.000 0.866 411 T HN 0.642 nan 8.240 nan 0.000 0.444 412 E N 0.371 120.560 120.200 -0.018 0.000 2.058 412 E HA -0.160 4.197 4.350 0.011 0.000 0.194 412 E C 2.538 179.173 176.600 0.058 0.000 0.997 412 E CA 0.965 57.377 56.400 0.021 0.000 0.801 412 E CB -0.036 29.680 29.700 0.027 0.000 0.746 412 E HN 0.089 nan 8.360 nan 0.000 0.450 413 R N 0.445 121.005 120.500 0.101 0.000 2.081 413 R HA -0.076 4.270 4.340 0.011 0.000 0.235 413 R C 1.964 178.350 176.300 0.144 0.000 1.131 413 R CA 1.573 57.771 56.100 0.163 0.000 0.960 413 R CB -0.546 29.930 30.300 0.295 0.000 0.856 413 R HN 0.164 nan 8.270 nan 0.000 0.436 414 A N -0.357 122.530 122.820 0.111 0.000 2.015 414 A HA 0.035 4.361 4.320 0.011 0.000 0.219 414 A C 2.154 179.770 177.584 0.055 0.000 1.163 414 A CA 1.508 53.599 52.037 0.091 0.000 0.646 414 A CB -0.633 18.403 19.000 0.061 0.000 0.806 414 A HN 0.421 nan 8.150 nan 0.000 0.448 415 A N -0.586 122.259 122.820 0.041 0.000 2.123 415 A HA 0.139 4.466 4.320 0.011 0.000 0.214 415 A C 1.721 179.320 177.584 0.025 0.000 1.152 415 A CA 1.714 53.767 52.037 0.026 0.000 0.728 415 A CB -0.517 18.493 19.000 0.017 0.000 0.814 415 A HN 0.770 nan 8.150 nan 0.000 0.464 416 T N -4.691 109.885 114.554 0.036 0.000 3.355 416 T HA 0.627 4.984 4.350 0.011 0.000 0.276 416 T C 0.813 175.528 174.700 0.026 0.000 1.003 416 T CA 0.434 62.551 62.100 0.027 0.000 0.943 416 T CB 0.522 69.408 68.868 0.031 0.000 1.158 416 T HN 0.303 nan 8.240 nan 0.000 0.513 417 A N 1.083 123.912 122.820 0.015 0.000 1.997 417 A HA 0.720 5.046 4.320 0.011 0.000 0.212 417 A C 1.660 179.176 177.584 -0.112 0.000 1.178 417 A CA 0.501 52.517 52.037 -0.035 0.000 0.698 417 A CB -0.873 18.119 19.000 -0.012 0.000 0.842 417 A HN 1.614 nan 8.150 nan 0.000 0.458 418 G N -0.121 108.638 108.800 -0.067 0.000 2.877 418 G HA2 -0.169 3.797 3.960 0.011 0.000 0.279 418 G HA3 -0.169 3.797 3.960 0.011 0.000 0.279 418 G C -0.770 174.073 174.900 -0.094 0.000 1.431 418 G CA -0.169 44.890 45.100 -0.069 0.000 0.883 418 G HN 0.667 nan 8.290 nan 0.000 0.547 419 N N 0.494 119.152 118.700 -0.070 0.000 2.456 419 N HA 0.601 5.347 4.740 0.011 0.000 0.288 419 N C 0.697 176.166 175.510 -0.068 0.000 1.059 419 N CA 0.281 53.294 53.050 -0.061 0.000 0.946 419 N CB 1.541 40.008 38.487 -0.033 0.000 1.150 419 N HN 1.054 nan 8.380 nan 0.000 0.479 420 G N 0.167 108.930 108.800 -0.063 0.000 2.557 420 G HA2 0.023 3.990 3.960 0.011 0.000 0.292 420 G HA3 0.023 3.990 3.960 0.011 0.000 0.292 420 G C 0.090 174.978 174.900 -0.021 0.000 1.237 420 G CA -0.563 44.509 45.100 -0.046 0.000 0.978 420 G HN 0.574 nan 8.290 nan 0.000 0.498 421 N N 0.191 118.885 118.700 -0.009 0.000 2.400 421 N HA -0.027 4.720 4.740 0.011 0.000 0.267 421 N C 1.121 176.632 175.510 0.002 0.000 1.208 421 N CA -0.137 52.911 53.050 -0.003 0.000 0.951 421 N CB 1.273 39.761 38.487 0.001 0.000 1.227 421 N HN 0.568 nan 8.380 nan 0.000 0.488 422 E N 4.366 124.566 120.200 0.000 0.000 2.097 422 E HA -0.176 4.180 4.350 0.011 0.000 0.196 422 E C 1.530 178.133 176.600 0.006 0.000 1.000 422 E CA 1.909 58.310 56.400 0.003 0.000 0.804 422 E CB -0.143 29.557 29.700 0.001 0.000 0.740 422 E HN 0.683 nan 8.360 nan 0.000 0.454 423 A N 0.395 123.218 122.820 0.004 0.000 1.930 423 A HA 0.054 4.380 4.320 0.011 0.000 0.217 423 A C 2.399 179.988 177.584 0.008 0.000 1.175 423 A CA 1.879 53.919 52.037 0.005 0.000 0.627 423 A CB -0.819 18.183 19.000 0.003 0.000 0.815 423 A HN 0.383 nan 8.150 nan 0.000 0.443 424 A N -0.164 122.662 122.820 0.010 0.000 1.929 424 A HA 0.046 4.373 4.320 0.011 0.000 0.216 424 A C 2.064 179.660 177.584 0.020 0.000 1.176 424 A CA 1.316 53.361 52.037 0.014 0.000 0.628 424 A CB -0.503 18.506 19.000 0.015 0.000 0.816 424 A HN 0.486 nan 8.150 nan 0.000 0.444 425 I N -0.768 119.814 120.570 0.020 0.000 2.162 425 I HA -0.192 3.984 4.170 0.011 0.000 0.238 425 I C 2.477 178.608 176.117 0.024 0.000 1.076 425 I CA 1.666 62.981 61.300 0.026 0.000 1.353 425 I CB -0.403 37.611 38.000 0.024 0.000 1.063 425 I HN 0.362 nan 8.210 nan 0.000 0.408 426 E N 1.660 121.871 120.200 0.018 0.000 2.130 426 E HA -0.251 4.106 4.350 0.011 0.000 0.196 426 E C 2.068 178.678 176.600 0.017 0.000 0.998 426 E CA 1.776 58.186 56.400 0.017 0.000 0.806 426 E CB -0.194 29.514 29.700 0.012 0.000 0.738 426 E HN 0.443 nan 8.360 nan 0.000 0.459 427 A N 0.234 123.063 122.820 0.015 0.000 2.019 427 A HA -0.191 4.136 4.320 0.011 0.000 0.219 427 A C 2.095 179.690 177.584 0.018 0.000 1.164 427 A CA 1.364 53.410 52.037 0.014 0.000 0.644 427 A CB -0.411 18.596 19.000 0.011 0.000 0.805 427 A HN 0.251 nan 8.150 nan 0.000 0.449 428 Q N -0.573 119.242 119.800 0.026 0.000 2.046 428 Q HA -0.108 4.239 4.340 0.011 0.000 0.200 428 Q C 2.485 178.506 176.000 0.035 0.000 0.975 428 Q CA 1.586 57.410 55.803 0.035 0.000 0.836 428 Q CB -0.566 28.202 28.738 0.051 0.000 0.896 428 Q HN 0.655 nan 8.270 nan 0.000 0.428 429 A N 1.062 123.901 122.820 0.031 0.000 1.933 429 A HA -0.081 4.246 4.320 0.011 0.000 0.218 429 A C 2.336 179.933 177.584 0.022 0.000 1.175 429 A CA 1.718 53.772 52.037 0.029 0.000 0.628 429 A CB -0.627 18.389 19.000 0.026 0.000 0.814 429 A HN 0.368 nan 8.150 nan 0.000 0.444 430 A N -0.290 122.540 122.820 0.018 0.000 1.892 430 A HA 0.019 4.346 4.320 0.011 0.000 0.218 430 A C 2.433 180.024 177.584 0.011 0.000 1.188 430 A CA 2.175 54.219 52.037 0.012 0.000 0.631 430 A CB -1.475 17.530 19.000 0.009 0.000 0.822 430 A HN 0.751 nan 8.150 nan 0.000 0.447 431 G N -0.610 108.197 108.800 0.012 0.000 2.421 431 G HA2 -0.127 3.840 3.960 0.011 0.000 0.216 431 G HA3 -0.127 3.840 3.960 0.011 0.000 0.216 431 G C 1.518 176.426 174.900 0.012 0.000 1.171 431 G CA 1.321 46.427 45.100 0.009 0.000 0.775 431 G HN 0.364 nan 8.290 nan 0.000 0.543 432 V N 0.870 120.797 119.914 0.022 0.000 2.324 432 V HA -0.231 3.895 4.120 0.011 0.000 0.250 432 V C 2.568 178.674 176.094 0.019 0.000 1.060 432 V CA 2.399 64.717 62.300 0.030 0.000 1.042 432 V CB -0.516 31.333 31.823 0.044 0.000 0.650 432 V HN 0.607 nan 8.190 nan 0.000 0.450 433 E N -0.159 120.049 120.200 0.014 0.000 2.051 433 E HA -0.309 4.048 4.350 0.011 0.000 0.192 433 E C 2.279 178.878 176.600 -0.002 0.000 0.991 433 E CA 1.540 57.943 56.400 0.005 0.000 0.799 433 E CB -0.099 29.604 29.700 0.006 0.000 0.748 433 E HN 0.552 nan 8.360 nan 0.000 0.449 434 Q N 0.932 120.732 119.800 -0.001 0.000 2.079 434 Q HA -0.127 4.220 4.340 0.011 0.000 0.200 434 Q C 2.081 178.076 176.000 -0.008 0.000 0.974 434 Q CA 1.689 57.489 55.803 -0.006 0.000 0.840 434 Q CB -0.179 28.556 28.738 -0.004 0.000 0.898 434 Q HN 0.151 nan 8.270 nan 0.000 0.430 435 R N -0.640 119.858 120.500 -0.003 0.000 2.091 435 R HA -0.155 4.191 4.340 0.011 0.000 0.238 435 R C 2.167 178.462 176.300 -0.008 0.000 1.136 435 R CA 1.410 57.508 56.100 -0.003 0.000 0.959 435 R CB -0.422 29.881 30.300 0.004 0.000 0.856 435 R HN 0.381 nan 8.270 nan 0.000 0.437 436 L N 1.370 122.587 121.223 -0.009 0.000 1.994 436 L HA -0.183 4.163 4.340 0.011 0.000 0.208 436 L C 1.792 178.640 176.870 -0.036 0.000 1.071 436 L CA 1.909 56.735 54.840 -0.023 0.000 0.745 436 L CB -0.370 41.675 42.059 -0.023 0.000 0.892 436 L HN 0.015 nan 8.230 nan 0.000 0.431 437 K N -0.366 120.016 120.400 -0.030 0.000 2.044 437 K HA -0.209 4.118 4.320 0.011 0.000 0.210 437 K C 1.855 178.433 176.600 -0.036 0.000 1.049 437 K CA 1.741 58.007 56.287 -0.034 0.000 0.927 437 K CB -0.486 31.999 32.500 -0.025 0.000 0.713 437 K HN 0.440 nan 8.250 nan 0.000 0.443 438 D N 1.066 121.448 120.400 -0.030 0.000 2.158 438 D HA -0.182 4.464 4.640 0.011 0.000 0.197 438 D C 1.865 178.138 176.300 -0.044 0.000 0.995 438 D CA 0.892 54.874 54.000 -0.031 0.000 0.846 438 D CB -0.174 40.613 40.800 -0.021 0.000 0.941 438 D HN 0.069 nan 8.370 nan 0.000 0.456 439 L N 0.525 121.718 121.223 -0.049 0.000 2.056 439 L HA -0.133 4.213 4.340 0.011 0.000 0.207 439 L C 2.218 179.033 176.870 -0.092 0.000 1.078 439 L CA 1.210 56.005 54.840 -0.075 0.000 0.749 439 L CB -0.363 41.656 42.059 -0.066 0.000 0.901 439 L HN -0.131 nan 8.230 nan 0.000 0.433 440 V N 0.493 120.360 119.914 -0.078 0.000 2.295 440 V HA -0.278 3.848 4.120 0.011 0.000 0.246 440 V C 2.337 178.390 176.094 -0.068 0.000 1.049 440 V CA 2.024 64.276 62.300 -0.080 0.000 1.024 440 V CB -1.153 30.628 31.823 -0.070 0.000 0.648 440 V HN 0.519 nan 8.190 nan 0.000 0.447 441 N N 0.003 118.670 118.700 -0.056 0.000 2.244 441 N HA -0.117 4.629 4.740 0.011 0.000 0.183 441 N C 1.257 176.735 175.510 -0.053 0.000 1.016 441 N CA 0.447 53.468 53.050 -0.047 0.000 0.866 441 N CB -0.461 38.003 38.487 -0.038 0.000 0.980 441 N HN 0.700 nan 8.380 nan 0.000 0.430 442 Q N 1.637 121.398 119.800 -0.065 0.000 2.618 442 Q HA -0.123 4.223 4.340 0.011 0.000 0.344 442 Q C -0.833 175.124 176.000 -0.071 0.000 1.073 442 Q CA 0.792 56.550 55.803 -0.074 0.000 1.105 442 Q CB 0.259 28.933 28.738 -0.107 0.000 1.028 442 Q HN 0.135 nan 8.270 nan 0.000 0.397 443 D N 2.333 122.700 120.400 -0.056 0.000 2.342 443 D HA 0.537 5.183 4.640 0.011 0.000 0.243 443 D C -0.060 176.213 176.300 -0.045 0.000 1.019 443 D CA 0.093 54.065 54.000 -0.046 0.000 0.864 443 D CB 1.732 42.512 40.800 -0.033 0.000 1.315 443 D HN 0.750 nan 8.370 nan 0.000 0.468 444 G N 0.678 109.454 108.800 -0.040 0.000 4.616 444 G HA2 0.196 4.162 3.960 0.011 0.000 0.214 444 G HA3 0.196 4.162 3.960 0.011 0.000 0.214 444 G C 0.793 175.678 174.900 -0.025 0.000 0.653 444 G CA 0.468 45.548 45.100 -0.033 0.000 0.816 444 G HN 0.942 nan 8.290 nan 0.000 0.601 445 G N 0.301 109.087 108.800 -0.022 0.000 2.283 445 G HA2 -0.252 3.714 3.960 0.011 0.000 0.280 445 G HA3 -0.252 3.714 3.960 0.011 0.000 0.280 445 G C -0.064 174.831 174.900 -0.009 0.000 1.029 445 G CA 0.743 45.835 45.100 -0.012 0.000 0.840 445 G HN 0.507 nan 8.290 nan 0.000 0.505 446 E N -0.089 120.104 120.200 -0.012 0.000 2.175 446 E HA 0.233 4.589 4.350 0.011 0.000 0.278 446 E C -0.019 176.592 176.600 0.018 0.000 0.969 446 E CA -0.887 55.510 56.400 -0.004 0.000 0.796 446 E CB 1.042 30.736 29.700 -0.011 0.000 1.104 446 E HN 0.232 nan 8.360 nan 0.000 0.395 447 N N 3.725 122.433 118.700 0.013 0.000 2.470 447 N HA -0.031 4.716 4.740 0.011 0.000 0.268 447 N C 1.200 176.725 175.510 0.024 0.000 1.136 447 N CA -0.276 52.785 53.050 0.018 0.000 0.961 447 N CB 0.401 38.858 38.487 -0.051 0.000 1.067 447 N HN 0.617 nan 8.380 nan 0.000 0.468 448 W N 4.224 125.522 121.300 -0.004 0.000 2.363 448 W HA -0.129 4.538 4.660 0.012 0.000 0.296 448 W C 0.845 177.389 176.519 0.041 0.000 1.212 448 W CA 1.131 58.496 57.345 0.034 0.000 1.260 448 W CB -1.116 28.372 29.460 0.046 0.000 1.131 448 W HN 0.550 nan 8.180 nan 0.000 0.530 449 A N 1.731 123.824 122.820 -1.211 0.000 1.930 449 A HA -0.159 4.167 4.320 0.011 0.000 0.217 449 A C 2.065 179.315 177.584 -0.558 0.000 1.175 449 A CA 1.712 52.979 52.037 -1.283 0.000 0.627 449 A CB -0.565 17.792 19.000 -1.073 0.000 0.815 449 A HN 0.071 nan 8.150 nan 0.000 0.443 450 K N -0.066 120.138 120.400 -0.327 0.000 2.155 450 K HA 0.111 4.437 4.320 0.011 0.000 0.203 450 K C 1.709 178.239 176.600 -0.117 0.000 1.052 450 K CA 0.828 57.005 56.287 -0.183 0.000 0.948 450 K CB -0.552 31.877 32.500 -0.118 0.000 0.728 450 K HN 0.620 nan 8.250 nan 0.000 0.448 451 I N 0.650 121.175 120.570 -0.074 0.000 2.202 451 I HA -0.251 3.926 4.170 0.011 0.000 0.242 451 I C 2.742 178.849 176.117 -0.016 0.000 1.091 451 I CA 1.011 62.314 61.300 0.005 0.000 1.368 451 I CB -0.246 37.824 38.000 0.118 0.000 1.058 451 I HN 0.163 nan 8.210 nan 0.000 0.410 452 R N 1.277 121.742 120.500 -0.058 0.000 2.097 452 R HA -0.245 4.101 4.340 0.011 0.000 0.236 452 R C 1.927 178.166 176.300 -0.102 0.000 1.135 452 R CA 2.483 58.540 56.100 -0.071 0.000 0.934 452 R CB -0.412 29.775 30.300 -0.188 0.000 0.846 452 R HN 0.248 nan 8.270 nan 0.000 0.431 453 D N 0.268 120.573 120.400 -0.158 0.000 2.172 453 D HA -0.187 4.460 4.640 0.011 0.000 0.196 453 D C 1.787 178.040 176.300 -0.078 0.000 0.999 453 D CA 1.579 55.502 54.000 -0.127 0.000 0.856 453 D CB -0.140 40.575 40.800 -0.141 0.000 0.934 453 D HN 0.499 nan 8.370 nan 0.000 0.453 454 E N -0.510 119.651 120.200 -0.066 0.000 2.112 454 E HA -0.038 4.318 4.350 0.011 0.000 0.190 454 E C 2.054 178.627 176.600 -0.046 0.000 0.979 454 E CA 0.124 56.497 56.400 -0.044 0.000 0.814 454 E CB -0.044 29.636 29.700 -0.033 0.000 0.762 454 E HN 0.240 nan 8.360 nan 0.000 0.460 455 M N 0.550 120.121 119.600 -0.049 0.000 2.117 455 M HA -0.118 4.369 4.480 0.011 0.000 0.262 455 M C 2.134 178.378 176.300 -0.094 0.000 1.065 455 M CA 1.963 57.224 55.300 -0.064 0.000 1.114 455 M CB -0.278 32.293 32.600 -0.048 0.000 1.361 455 M HN 0.161 nan 8.290 nan 0.000 0.408 456 G N 0.897 109.653 108.800 -0.074 0.000 2.446 456 G HA2 -0.231 3.736 3.960 0.011 0.000 0.217 456 G HA3 -0.231 3.736 3.960 0.011 0.000 0.217 456 G C 1.398 176.264 174.900 -0.056 0.000 1.168 456 G CA 1.019 46.079 45.100 -0.066 0.000 0.771 456 G HN 0.475 nan 8.290 nan 0.000 0.551 457 L N 0.737 121.944 121.223 -0.027 0.000 2.046 457 L HA -0.036 4.310 4.340 0.011 0.000 0.208 457 L C 3.416 180.262 176.870 -0.039 0.000 1.077 457 L CA 1.107 55.947 54.840 -0.000 0.000 0.747 457 L CB -0.360 41.703 42.059 0.007 0.000 0.896 457 L HN 0.301 nan 8.230 nan 0.000 0.432 458 A N -0.482 122.296 122.820 -0.070 0.000 1.877 458 A HA -0.225 4.102 4.320 0.011 0.000 0.216 458 A C 2.299 179.799 177.584 -0.141 0.000 1.186 458 A CA 1.682 53.667 52.037 -0.086 0.000 0.620 458 A CB -0.379 18.570 19.000 -0.085 0.000 0.822 458 A HN 0.265 nan 8.150 nan 0.000 0.443 459 M N -0.908 118.539 119.600 -0.254 0.000 2.086 459 M HA -0.118 4.369 4.480 0.011 0.000 0.261 459 M C 1.981 178.052 176.300 -0.381 0.000 1.067 459 M CA 1.921 56.917 55.300 -0.505 0.000 1.116 459 M CB -1.494 30.498 32.600 -1.012 0.000 1.348 459 M HN 0.529 nan 8.290 nan 0.000 0.407 460 E N 0.274 120.363 120.200 -0.185 0.000 2.153 460 E HA -0.165 4.191 4.350 0.011 0.000 0.194 460 E C 1.958 178.597 176.600 0.066 0.000 0.988 460 E CA 1.234 57.694 56.400 0.100 0.000 0.811 460 E CB 0.044 29.840 29.700 0.160 0.000 0.746 460 E HN 0.537 nan 8.360 nan 0.000 0.466 461 E N -1.887 118.313 120.200 0.000 0.000 2.216 461 E HA 0.017 4.374 4.350 0.011 0.000 0.192 461 E C 1.664 178.265 176.600 0.001 0.000 0.973 461 E CA 0.703 57.102 56.400 -0.001 0.000 0.851 461 E CB 0.136 29.834 29.700 -0.003 0.000 0.804 461 E HN 0.308 nan 8.360 nan 0.000 0.477 462 G N -0.605 108.183 108.800 -0.021 0.000 2.719 462 G HA2 -0.050 3.916 3.960 0.011 0.000 0.211 462 G HA3 -0.050 3.916 3.960 0.011 0.000 0.211 462 G C 0.916 175.812 174.900 -0.007 0.000 1.140 462 G CA 0.145 45.232 45.100 -0.021 0.000 0.790 462 G HN 0.263 nan 8.290 nan 0.000 0.529 463 C N 1.885 121.196 119.300 0.019 0.000 2.624 463 C HA 0.588 5.055 4.460 0.011 0.000 0.263 463 C C 1.556 176.691 174.990 0.241 0.000 1.587 463 C CA -1.030 58.051 59.018 0.105 0.000 1.718 463 C CB -0.573 27.235 27.740 0.113 0.000 3.050 463 C HN 0.399 nan 8.230 nan 0.000 0.517 464 G N 0.658 109.526 108.800 0.113 0.000 2.508 464 G HA2 0.437 4.404 3.960 0.011 0.000 0.278 464 G HA3 0.437 4.404 3.960 0.011 0.000 0.278 464 G C 0.962 175.707 174.900 -0.259 0.000 1.389 464 G CA -0.436 44.659 45.100 -0.008 0.000 1.050 464 G HN 0.341 nan 8.290 nan 0.000 0.522 465 I N -1.428 118.783 120.570 -0.598 0.000 2.208 465 I HA -0.070 4.107 4.170 0.011 0.000 0.245 465 I C 0.439 176.154 176.117 -0.670 0.000 1.097 465 I CA 1.069 61.975 61.300 -0.657 0.000 1.363 465 I CB -0.364 37.196 38.000 -0.732 0.000 1.051 465 I HN 0.157 nan 8.210 nan 0.000 0.413 466 Y N 1.021 121.003 120.300 -0.530 0.000 2.352 466 Y HA 0.565 5.121 4.550 0.011 0.000 0.339 466 Y C 0.094 175.760 175.900 -0.390 0.000 0.992 466 Y CA -0.868 56.877 58.100 -0.592 0.000 1.100 466 Y CB 1.228 39.023 38.460 -1.110 0.000 1.192 466 Y HN -0.108 nan 8.280 nan 0.000 0.458 467 R N 1.665 122.092 120.500 -0.122 0.000 2.513 467 R HA 0.429 4.776 4.340 0.011 0.000 0.301 467 R C -0.770 175.476 176.300 -0.091 0.000 0.968 467 R CA -0.770 55.268 56.100 -0.103 0.000 0.872 467 R CB 1.796 32.026 30.300 -0.117 0.000 1.177 467 R HN 0.681 nan 8.270 nan 0.000 0.444 468 T N -0.593 113.932 114.554 -0.049 0.000 2.945 468 T HA 0.362 4.719 4.350 0.011 0.000 0.286 468 T C -2.042 172.647 174.700 -0.019 0.000 1.025 468 T CA -2.201 59.879 62.100 -0.033 0.000 1.039 468 T CB 2.053 70.917 68.868 -0.007 0.000 1.068 468 T HN 0.128 nan 8.240 nan 0.000 0.497 469 P HA -0.077 nan 4.420 nan 0.000 0.214 469 P C 1.511 178.811 177.300 -0.001 0.000 1.163 469 P CA 0.994 64.093 63.100 -0.001 0.000 0.883 469 P CB 0.122 31.825 31.700 0.006 0.000 0.788 470 E N -0.306 119.896 120.200 0.004 0.000 2.048 470 E HA -0.217 4.140 4.350 0.011 0.000 0.202 470 E C 1.906 178.507 176.600 0.001 0.000 1.021 470 E CA 1.394 57.797 56.400 0.006 0.000 0.825 470 E CB -0.696 29.012 29.700 0.014 0.000 0.756 470 E HN 0.081 nan 8.360 nan 0.000 0.454 471 L N -0.029 121.197 121.223 0.005 0.000 2.141 471 L HA -0.159 4.187 4.340 0.011 0.000 0.209 471 L C 2.701 179.562 176.870 -0.016 0.000 1.094 471 L CA 0.843 55.684 54.840 0.001 0.000 0.763 471 L CB -0.240 41.828 42.059 0.015 0.000 0.908 471 L HN 0.310 nan 8.230 nan 0.000 0.437 472 M N -0.957 118.632 119.600 -0.019 0.000 2.080 472 M HA -0.273 4.213 4.480 0.011 0.000 0.260 472 M C 2.423 178.690 176.300 -0.054 0.000 1.068 472 M CA 1.793 57.073 55.300 -0.033 0.000 1.109 472 M CB -0.270 32.319 32.600 -0.018 0.000 1.342 472 M HN 0.198 nan 8.290 nan 0.000 0.405 473 Q N 0.922 120.698 119.800 -0.039 0.000 2.030 473 Q HA -0.207 4.139 4.340 0.011 0.000 0.204 473 Q C 1.862 177.835 176.000 -0.045 0.000 0.986 473 Q CA 1.965 57.742 55.803 -0.044 0.000 0.843 473 Q CB -0.293 28.434 28.738 -0.018 0.000 0.904 473 Q HN 0.298 nan 8.270 nan 0.000 0.420 474 K N -1.058 119.325 120.400 -0.029 0.000 2.059 474 K HA -0.197 4.130 4.320 0.011 0.000 0.212 474 K C 1.895 178.472 176.600 -0.039 0.000 1.050 474 K CA 1.938 58.210 56.287 -0.024 0.000 0.927 474 K CB -0.308 32.184 32.500 -0.012 0.000 0.714 474 K HN 0.338 nan 8.250 nan 0.000 0.447 475 T N 1.652 116.174 114.554 -0.052 0.000 2.708 475 T HA -0.100 4.256 4.350 0.011 0.000 0.266 475 T C 1.904 176.549 174.700 -0.091 0.000 1.037 475 T CA 1.510 63.567 62.100 -0.071 0.000 1.146 475 T CB -0.158 68.661 68.868 -0.082 0.000 0.865 475 T HN 0.212 nan 8.240 nan 0.000 0.435 476 I N 1.518 122.014 120.570 -0.124 0.000 2.208 476 I HA -0.206 3.970 4.170 0.011 0.000 0.245 476 I C 2.360 178.421 176.117 -0.094 0.000 1.097 476 I CA 1.263 62.456 61.300 -0.179 0.000 1.363 476 I CB -0.501 37.314 38.000 -0.309 0.000 1.051 476 I HN 0.200 nan 8.210 nan 0.000 0.413 477 D N 1.033 121.397 120.400 -0.059 0.000 2.092 477 D HA -0.227 4.420 4.640 0.011 0.000 0.193 477 D C 2.067 178.356 176.300 -0.020 0.000 0.994 477 D CA 1.409 55.395 54.000 -0.025 0.000 0.828 477 D CB -0.278 40.512 40.800 -0.016 0.000 0.963 477 D HN 0.111 nan 8.370 nan 0.000 0.450 478 K N 1.022 121.406 120.400 -0.028 0.000 2.063 478 K HA -0.076 4.251 4.320 0.011 0.000 0.208 478 K C 2.296 178.884 176.600 -0.021 0.000 1.048 478 K CA 0.764 57.038 56.287 -0.022 0.000 0.928 478 K CB -0.656 31.827 32.500 -0.029 0.000 0.713 478 K HN 0.118 nan 8.250 nan 0.000 0.442 479 L N -0.257 120.945 121.223 -0.034 0.000 2.042 479 L HA -0.194 4.152 4.340 0.011 0.000 0.210 479 L C 2.418 179.285 176.870 -0.005 0.000 1.076 479 L CA 1.423 56.245 54.840 -0.029 0.000 0.749 479 L CB -0.651 41.381 42.059 -0.046 0.000 0.893 479 L HN 0.282 nan 8.230 nan 0.000 0.432 480 A N -0.504 122.318 122.820 0.004 0.000 1.933 480 A HA -0.259 4.067 4.320 0.011 0.000 0.218 480 A C 2.288 179.887 177.584 0.024 0.000 1.175 480 A CA 1.835 53.887 52.037 0.024 0.000 0.628 480 A CB -0.515 18.505 19.000 0.033 0.000 0.814 480 A HN 0.487 nan 8.150 nan 0.000 0.444 481 E N -0.060 120.150 120.200 0.017 0.000 2.051 481 E HA -0.176 4.181 4.350 0.011 0.000 0.192 481 E C 1.942 178.561 176.600 0.033 0.000 0.991 481 E CA 1.258 57.670 56.400 0.021 0.000 0.799 481 E CB -0.210 29.497 29.700 0.012 0.000 0.748 481 E HN 0.636 nan 8.360 nan 0.000 0.449 482 L N 0.779 122.019 121.223 0.029 0.000 2.141 482 L HA -0.192 4.155 4.340 0.011 0.000 0.209 482 L C 2.812 179.731 176.870 0.083 0.000 1.094 482 L CA 0.737 55.606 54.840 0.049 0.000 0.763 482 L CB -0.363 41.712 42.059 0.026 0.000 0.908 482 L HN 0.178 nan 8.230 nan 0.000 0.437 483 Q N -0.120 119.711 119.800 0.053 0.000 2.096 483 Q HA -0.260 4.086 4.340 0.011 0.000 0.204 483 Q C 2.102 178.174 176.000 0.120 0.000 0.982 483 Q CA 1.595 57.436 55.803 0.064 0.000 0.850 483 Q CB -0.117 28.638 28.738 0.028 0.000 0.901 483 Q HN 0.402 nan 8.270 nan 0.000 0.422 484 E N 0.727 120.977 120.200 0.084 0.000 2.051 484 E HA -0.125 4.231 4.350 0.011 0.000 0.192 484 E C 1.951 178.603 176.600 0.086 0.000 0.991 484 E CA 1.156 57.601 56.400 0.075 0.000 0.799 484 E CB 0.003 29.731 29.700 0.046 0.000 0.748 484 E HN 0.201 nan 8.360 nan 0.000 0.449 485 R N -0.616 119.936 120.500 0.088 0.000 2.127 485 R HA -0.149 4.197 4.340 0.011 0.000 0.238 485 R C 2.324 178.689 176.300 0.108 0.000 1.134 485 R CA 1.145 57.292 56.100 0.078 0.000 0.975 485 R CB -0.612 29.728 30.300 0.067 0.000 0.865 485 R HN 0.261 nan 8.270 nan 0.000 0.447 486 F N 2.250 122.209 119.950 0.016 0.000 2.216 486 F HA -0.150 4.383 4.527 0.009 0.000 0.300 486 F C 1.968 177.776 175.800 0.014 0.000 1.085 486 F CA 1.400 59.414 58.000 0.023 0.000 1.326 486 F CB 0.052 39.063 39.000 0.019 0.000 1.027 486 F HN -0.226 nan 8.300 nan 0.000 0.497 487 K N 0.153 120.587 120.400 0.056 0.000 2.504 487 K HA 0.024 4.350 4.320 0.011 0.000 0.195 487 K C 1.340 177.893 176.600 -0.079 0.000 1.036 487 K CA 0.612 56.883 56.287 -0.027 0.000 0.984 487 K CB -0.052 32.472 32.500 0.041 0.000 0.788 487 K HN 0.164 nan 8.250 nan 0.000 0.488 488 R N -0.794 119.661 120.500 -0.075 0.000 2.472 488 R HA 0.214 4.561 4.340 0.011 0.000 0.279 488 R C -0.609 175.635 176.300 -0.092 0.000 0.953 488 R CA -0.191 55.870 56.100 -0.065 0.000 1.088 488 R CB 0.905 31.190 30.300 -0.026 0.000 1.197 488 R HN -0.131 nan 8.270 nan 0.000 0.536 489 V N 1.844 121.653 119.914 -0.176 0.000 2.585 489 V HA 0.093 4.219 4.120 0.011 0.000 0.296 489 V C 0.442 176.451 176.094 -0.140 0.000 1.035 489 V CA 0.168 62.368 62.300 -0.168 0.000 1.084 489 V CB 0.946 32.581 31.823 -0.313 0.000 0.953 489 V HN 0.194 nan 8.190 nan 0.000 0.483 490 R N 5.041 125.500 120.500 -0.068 0.000 2.360 490 R HA 0.481 4.827 4.340 0.011 0.000 0.318 490 R C -0.925 175.357 176.300 -0.030 0.000 0.950 490 R CA -0.717 55.349 56.100 -0.058 0.000 0.837 490 R CB 1.046 31.323 30.300 -0.038 0.000 1.165 490 R HN 0.677 nan 8.270 nan 0.000 0.458 491 I N 4.903 125.438 120.570 -0.057 0.000 2.347 491 I HA -0.010 4.166 4.170 0.011 0.000 0.294 491 I C 1.691 177.788 176.117 -0.033 0.000 1.090 491 I CA 0.056 61.326 61.300 -0.050 0.000 1.314 491 I CB 1.630 39.566 38.000 -0.106 0.000 1.423 491 I HN 0.743 nan 8.210 nan 0.000 0.503 492 T N 0.903 115.456 114.554 -0.001 0.000 2.857 492 T HA -0.112 4.245 4.350 0.011 0.000 0.266 492 T C 0.864 175.561 174.700 -0.006 0.000 1.048 492 T CA 0.310 62.411 62.100 0.002 0.000 1.139 492 T CB -0.075 68.807 68.868 0.023 0.000 0.874 492 T HN 0.516 nan 8.240 nan 0.000 0.455 493 D N 2.961 123.355 120.400 -0.010 0.000 2.338 493 D HA 0.053 4.700 4.640 0.011 0.000 0.255 493 D C 0.730 177.005 176.300 -0.043 0.000 1.237 493 D CA 0.280 54.268 54.000 -0.019 0.000 0.883 493 D CB 1.146 41.937 40.800 -0.015 0.000 1.087 493 D HN 0.453 nan 8.370 nan 0.000 0.485 494 T N -0.065 114.468 114.554 -0.034 0.000 3.176 494 T HA 0.133 4.490 4.350 0.011 0.000 0.263 494 T C 0.708 175.384 174.700 -0.040 0.000 1.021 494 T CA -0.582 61.493 62.100 -0.043 0.000 0.905 494 T CB -0.174 68.673 68.868 -0.034 0.000 1.057 494 T HN 0.232 nan 8.240 nan 0.000 0.558 495 S N 0.475 116.154 115.700 -0.035 0.000 2.603 495 S HA 0.406 4.883 4.470 0.011 0.000 0.268 495 S C 1.010 175.586 174.600 -0.040 0.000 1.317 495 S CA -0.600 57.585 58.200 -0.026 0.000 1.012 495 S CB 1.473 64.668 63.200 -0.009 0.000 0.926 495 S HN 0.207 nan 8.310 nan 0.000 0.539 496 S N 0.247 115.930 115.700 -0.028 0.000 2.470 496 S HA 0.112 4.589 4.470 0.011 0.000 0.222 496 S C 0.397 174.982 174.600 -0.026 0.000 1.024 496 S CA -0.160 58.018 58.200 -0.036 0.000 0.931 496 S CB -0.004 63.182 63.200 -0.024 0.000 0.791 496 S HN 0.623 nan 8.310 nan 0.000 0.513 497 V N 3.410 123.329 119.914 0.008 0.000 2.356 497 V HA 0.297 4.423 4.120 0.011 0.000 0.258 497 V C -0.056 176.115 176.094 0.129 0.000 1.065 497 V CA -0.421 61.911 62.300 0.053 0.000 0.935 497 V CB -1.126 30.729 31.823 0.053 0.000 1.061 497 V HN 0.528 nan 8.190 nan 0.000 0.484 498 F N 3.998 123.900 119.950 -0.079 0.000 2.891 498 F HA -0.225 4.310 4.527 0.012 0.000 0.272 498 F C 0.647 176.375 175.800 -0.121 0.000 1.004 498 F CA 0.323 58.264 58.000 -0.098 0.000 0.938 498 F CB -0.405 38.556 39.000 -0.065 0.000 0.939 498 F HN 0.685 nan 8.300 nan 0.000 0.833 499 N N 1.671 120.261 118.700 -0.183 0.000 2.415 499 N HA 0.121 4.867 4.740 0.011 0.000 0.250 499 N C 1.235 176.524 175.510 -0.369 0.000 1.127 499 N CA 0.633 53.566 53.050 -0.194 0.000 0.945 499 N CB 0.862 39.242 38.487 -0.179 0.000 1.196 499 N HN 0.435 nan 8.380 nan 0.000 0.499 500 T N 0.084 114.451 114.554 -0.312 0.000 2.942 500 T HA -0.120 4.237 4.350 0.011 0.000 0.265 500 T C 1.366 175.730 174.700 -0.560 0.000 1.062 500 T CA 0.617 62.364 62.100 -0.588 0.000 1.139 500 T CB -0.097 68.570 68.868 -0.335 0.000 0.883 500 T HN 0.365 nan 8.240 nan 0.000 0.468 501 D N 1.751 122.011 120.400 -0.233 0.000 2.103 501 D HA -0.138 4.508 4.640 0.011 0.000 0.190 501 D C 2.043 178.085 176.300 -0.429 0.000 0.997 501 D CA 1.300 55.163 54.000 -0.228 0.000 0.833 501 D CB -0.626 40.117 40.800 -0.095 0.000 0.961 501 D HN 0.316 nan 8.370 nan 0.000 0.447 502 L N 0.353 121.361 121.223 -0.358 0.000 2.013 502 L HA -0.154 4.193 4.340 0.011 0.000 0.212 502 L C 2.460 179.039 176.870 -0.485 0.000 1.073 502 L CA 1.660 56.281 54.840 -0.365 0.000 0.753 502 L CB -0.724 41.153 42.059 -0.304 0.000 0.890 502 L HN 0.185 nan 8.230 nan 0.000 0.432 503 L N -1.793 119.047 121.223 -0.640 0.000 2.027 503 L HA -0.240 4.106 4.340 0.011 0.000 0.206 503 L C 2.546 179.019 176.870 -0.661 0.000 1.074 503 L CA 1.614 55.940 54.840 -0.856 0.000 0.745 503 L CB -0.777 40.682 42.059 -1.000 0.000 0.898 503 L HN 0.308 nan 8.230 nan 0.000 0.433 504 Y N -0.099 119.857 120.300 -0.572 0.000 2.274 504 Y HA -0.236 4.321 4.550 0.012 0.000 0.290 504 Y C 2.787 178.272 175.900 -0.693 0.000 1.145 504 Y CA 1.219 58.931 58.100 -0.647 0.000 1.203 504 Y CB -0.592 37.237 38.460 -1.051 0.000 0.984 504 Y HN 0.202 nan 8.280 nan 0.000 0.533 505 T N 0.249 114.467 114.554 -0.559 0.000 2.812 505 T HA -0.131 4.225 4.350 0.011 0.000 0.264 505 T C 1.855 176.597 174.700 0.070 0.000 1.042 505 T CA 1.311 63.287 62.100 -0.207 0.000 1.140 505 T CB -0.410 68.321 68.868 -0.228 0.000 0.870 505 T HN 0.229 nan 8.240 nan 0.000 0.445 506 I N 1.312 121.837 120.570 -0.075 0.000 2.127 506 I HA -0.212 3.965 4.170 0.011 0.000 0.241 506 I C 2.701 178.880 176.117 0.103 0.000 1.075 506 I CA 1.516 62.815 61.300 -0.001 0.000 1.334 506 I CB -0.441 37.492 38.000 -0.111 0.000 1.040 506 I HN 0.276 nan 8.210 nan 0.000 0.405 507 E N 0.339 120.657 120.200 0.196 0.000 2.114 507 E HA -0.303 4.053 4.350 0.011 0.000 0.199 507 E C 2.111 178.834 176.600 0.206 0.000 1.008 507 E CA 1.559 58.153 56.400 0.323 0.000 0.810 507 E CB -0.276 29.590 29.700 0.276 0.000 0.739 507 E HN 0.323 nan 8.360 nan 0.000 0.456 508 L N 0.490 121.812 121.223 0.165 0.000 2.093 508 L HA -0.044 4.302 4.340 0.011 0.000 0.208 508 L C 2.077 178.845 176.870 -0.171 0.000 1.085 508 L CA 2.093 57.017 54.840 0.139 0.000 0.755 508 L CB -0.808 41.486 42.059 0.393 0.000 0.904 508 L HN 0.079 nan 8.230 nan 0.000 0.435 509 G N -1.272 107.312 108.800 -0.360 0.000 2.480 509 G HA2 -0.293 3.673 3.960 0.011 0.000 0.216 509 G HA3 -0.293 3.673 3.960 0.011 0.000 0.216 509 G C 1.473 176.117 174.900 -0.426 0.000 1.200 509 G CA 1.001 45.649 45.100 -0.754 0.000 0.782 509 G HN 0.552 nan 8.290 nan 0.000 0.554 510 H N 0.942 119.943 119.070 -0.116 0.000 2.289 510 H HA -0.129 4.432 4.556 0.009 0.000 0.296 510 H C 2.950 178.233 175.328 -0.075 0.000 1.091 510 H CA 1.432 57.440 56.048 -0.066 0.000 1.274 510 H CB -1.065 28.690 29.762 -0.013 0.000 1.364 510 H HN 0.361 nan 8.280 nan 0.000 0.490 511 G N 1.390 110.235 108.800 0.075 0.000 2.649 511 G HA2 -0.286 3.680 3.960 0.011 0.000 0.220 511 G HA3 -0.286 3.680 3.960 0.011 0.000 0.220 511 G C 2.002 176.879 174.900 -0.038 0.000 1.189 511 G CA 1.436 46.548 45.100 0.020 0.000 0.777 511 G HN 0.298 nan 8.290 nan 0.000 0.602 512 L N 0.530 121.684 121.223 -0.115 0.000 2.012 512 L HA -0.129 4.218 4.340 0.011 0.000 0.210 512 L C 2.881 179.698 176.870 -0.088 0.000 1.073 512 L CA 1.344 56.106 54.840 -0.130 0.000 0.748 512 L CB -0.557 41.361 42.059 -0.235 0.000 0.891 512 L HN 0.177 nan 8.230 nan 0.000 0.431 513 N N -0.117 118.527 118.700 -0.093 0.000 2.043 513 N HA -0.167 4.580 4.740 0.011 0.000 0.193 513 N C 1.871 177.375 175.510 -0.011 0.000 1.037 513 N CA 1.413 54.437 53.050 -0.043 0.000 0.851 513 N CB -0.861 37.608 38.487 -0.031 0.000 1.027 513 N HN 0.114 nan 8.380 nan 0.000 0.422 514 V N 1.686 121.598 119.914 -0.003 0.000 2.343 514 V HA -0.191 3.936 4.120 0.011 0.000 0.247 514 V C 2.467 178.562 176.094 0.001 0.000 1.051 514 V CA 1.745 64.046 62.300 0.001 0.000 1.036 514 V CB -1.070 30.756 31.823 0.005 0.000 0.654 514 V HN 0.340 nan 8.190 nan 0.000 0.451 515 A N -0.500 122.314 122.820 -0.010 0.000 1.908 515 A HA -0.280 4.046 4.320 0.011 0.000 0.218 515 A C 2.182 179.757 177.584 -0.015 0.000 1.181 515 A CA 2.051 54.074 52.037 -0.024 0.000 0.627 515 A CB -0.503 18.463 19.000 -0.057 0.000 0.818 515 A HN 0.630 nan 8.150 nan 0.000 0.445 516 E N -0.959 119.245 120.200 0.008 0.000 2.153 516 E HA -0.174 4.182 4.350 0.011 0.000 0.194 516 E C 2.077 178.758 176.600 0.135 0.000 0.988 516 E CA 1.101 57.544 56.400 0.071 0.000 0.811 516 E CB -0.354 29.408 29.700 0.103 0.000 0.746 516 E HN 0.703 nan 8.360 nan 0.000 0.466 517 C N 0.562 119.904 119.300 0.069 0.000 2.432 517 C HA -0.152 4.315 4.460 0.011 0.000 0.277 517 C C 2.703 177.714 174.990 0.035 0.000 1.249 517 C CA 0.737 59.784 59.018 0.048 0.000 1.725 517 C CB -0.741 27.000 27.740 0.002 0.000 2.028 517 C HN 0.466 nan 8.230 nan 0.000 0.477 518 M N 1.001 120.611 119.600 0.017 0.000 2.080 518 M HA -0.174 4.312 4.480 0.011 0.000 0.260 518 M C 2.497 178.789 176.300 -0.014 0.000 1.068 518 M CA 2.247 57.550 55.300 0.005 0.000 1.109 518 M CB -0.628 31.995 32.600 0.038 0.000 1.342 518 M HN 0.472 nan 8.290 nan 0.000 0.405 519 A N -0.476 122.330 122.820 -0.024 0.000 1.873 519 A HA -0.167 4.159 4.320 0.011 0.000 0.215 519 A C 1.939 179.464 177.584 -0.098 0.000 1.186 519 A CA 1.398 53.385 52.037 -0.082 0.000 0.616 519 A CB -1.051 17.864 19.000 -0.143 0.000 0.823 519 A HN 0.458 nan 8.150 nan 0.000 0.442 520 H N -0.075 118.983 119.070 -0.021 0.000 2.293 520 H HA -0.072 4.490 4.556 0.011 0.000 0.300 520 H C 2.658 177.975 175.328 -0.018 0.000 1.082 520 H CA 1.693 57.734 56.048 -0.011 0.000 1.308 520 H CB -0.365 29.393 29.762 -0.007 0.000 1.375 520 H HN 0.469 nan 8.280 nan 0.000 0.495 521 S N 0.649 116.398 115.700 0.081 0.000 2.368 521 S HA -0.257 4.220 4.470 0.011 0.000 0.226 521 S C 2.462 176.993 174.600 -0.115 0.000 1.044 521 S CA 1.332 59.527 58.200 -0.008 0.000 1.062 521 S CB -0.483 62.684 63.200 -0.056 0.000 0.931 521 S HN 0.572 nan 8.310 nan 0.000 0.440 522 A N 1.340 124.064 122.820 -0.160 0.000 1.851 522 A HA -0.199 4.128 4.320 0.011 0.000 0.216 522 A C 2.153 179.730 177.584 -0.012 0.000 1.195 522 A CA 2.241 54.163 52.037 -0.192 0.000 0.622 522 A CB -0.836 18.154 19.000 -0.017 0.000 0.831 522 A HN 0.455 nan 8.150 nan 0.000 0.444 523 M N 0.082 119.694 119.600 0.019 0.000 2.143 523 M HA -0.185 4.302 4.480 0.011 0.000 0.258 523 M C 2.051 178.399 176.300 0.079 0.000 1.071 523 M CA 2.012 57.339 55.300 0.046 0.000 1.088 523 M CB -0.494 32.114 32.600 0.014 0.000 1.360 523 M HN 0.430 nan 8.290 nan 0.000 0.404 524 A N -0.602 122.277 122.820 0.098 0.000 1.898 524 A HA -0.036 4.291 4.320 0.011 0.000 0.214 524 A C 1.631 179.329 177.584 0.189 0.000 1.183 524 A CA 0.664 52.812 52.037 0.185 0.000 0.622 524 A CB -0.536 18.616 19.000 0.254 0.000 0.824 524 A HN 0.503 nan 8.150 nan 0.000 0.444 525 R N 1.407 121.929 120.500 0.036 0.000 2.435 525 R HA 0.056 4.403 4.340 0.011 0.000 0.325 525 R C -0.804 175.283 176.300 -0.355 0.000 1.149 525 R CA 0.161 56.118 56.100 -0.239 0.000 0.995 525 R CB -0.228 29.825 30.300 -0.412 0.000 1.008 525 R HN 0.242 nan 8.270 nan 0.000 0.470 526 K N 5.147 125.150 120.400 -0.662 0.000 2.502 526 K HA 0.028 4.354 4.320 0.011 0.000 0.244 526 K C -0.599 175.684 176.600 -0.527 0.000 1.249 526 K CA -0.040 56.040 56.287 -0.345 0.000 1.193 526 K CB 0.110 32.632 32.500 0.037 0.000 1.674 526 K HN 0.706 nan 8.250 nan 0.000 0.302 527 E N -1.767 118.177 120.200 -0.428 0.000 2.442 527 E HA 0.299 4.655 4.350 0.011 0.000 0.278 527 E C -1.282 175.255 176.600 -0.104 0.000 1.082 527 E CA -1.059 55.190 56.400 -0.252 0.000 0.861 527 E CB 1.028 30.537 29.700 -0.319 0.000 1.462 527 E HN -0.104 nan 8.360 nan 0.000 0.458 528 S N 0.285 115.957 115.700 -0.048 0.000 2.532 528 S HA 0.412 4.889 4.470 0.011 0.000 0.256 528 S C -0.919 173.718 174.600 0.061 0.000 1.298 528 S CA -0.686 57.495 58.200 -0.031 0.000 1.166 528 S CB 0.409 63.578 63.200 -0.053 0.000 1.022 528 S HN 0.459 nan 8.310 nan 0.000 0.480 529 R N 1.904 122.505 120.500 0.168 0.000 2.599 529 R HA 0.673 5.020 4.340 0.011 0.000 0.295 529 R C 0.882 177.358 176.300 0.293 0.000 0.963 529 R CA 0.289 56.512 56.100 0.205 0.000 0.883 529 R CB 0.875 31.305 30.300 0.217 0.000 1.171 529 R HN 0.675 nan 8.270 nan 0.000 0.450 530 G N 2.292 111.191 108.800 0.165 0.000 2.651 530 G HA2 -0.469 3.498 3.960 0.011 0.000 0.315 530 G HA3 -0.469 3.498 3.960 0.011 0.000 0.315 530 G C 0.765 175.778 174.900 0.188 0.000 1.258 530 G CA 0.711 45.896 45.100 0.141 0.000 1.002 530 G HN 0.949 nan 8.290 nan 0.000 0.551 531 A N -0.679 122.327 122.820 0.309 0.000 2.119 531 A HA 0.264 4.590 4.320 0.011 0.000 0.217 531 A C 1.261 178.951 177.584 0.177 0.000 1.153 531 A CA 1.945 54.121 52.037 0.232 0.000 0.692 531 A CB -0.309 18.865 19.000 0.291 0.000 0.799 531 A HN 1.378 nan 8.150 nan 0.000 0.458 532 H N 1.259 120.411 119.070 0.137 0.000 2.911 532 H HA 0.414 4.977 4.556 0.011 0.000 0.273 532 H C -0.722 174.580 175.328 -0.044 0.000 1.157 532 H CA -0.162 55.854 56.048 -0.055 0.000 1.402 532 H CB 0.095 29.724 29.762 -0.223 0.000 1.463 532 H HN 0.123 nan 8.280 nan 0.000 0.475 533 Q N 5.129 124.701 119.800 -0.380 0.000 2.363 533 Q HA 0.338 4.685 4.340 0.011 0.000 0.265 533 Q C -0.314 175.510 176.000 -0.293 0.000 1.032 533 Q CA -0.467 55.159 55.803 -0.295 0.000 0.746 533 Q CB 1.579 30.143 28.738 -0.291 0.000 1.237 533 Q HN 0.719 nan 8.270 nan 0.000 0.475 534 R N 2.017 122.338 120.500 -0.298 0.000 2.407 534 R HA 0.435 4.781 4.340 0.011 0.000 0.303 534 R C 0.969 177.200 176.300 -0.115 0.000 0.981 534 R CA -0.394 55.573 56.100 -0.221 0.000 0.905 534 R CB 1.358 31.514 30.300 -0.241 0.000 1.099 534 R HN 0.468 nan 8.270 nan 0.000 0.459 535 L N 1.240 122.390 121.223 -0.122 0.000 2.354 535 L HA 0.004 4.350 4.340 0.011 0.000 0.212 535 L C 0.724 177.542 176.870 -0.087 0.000 1.091 535 L CA 0.299 55.051 54.840 -0.146 0.000 0.828 535 L CB -0.049 41.875 42.059 -0.224 0.000 0.973 535 L HN 0.708 nan 8.230 nan 0.000 0.461 536 D N 1.021 121.381 120.400 -0.066 0.000 2.400 536 D HA -0.121 4.525 4.640 0.011 0.000 0.238 536 D C 0.040 176.324 176.300 -0.027 0.000 1.157 536 D CA -0.272 53.706 54.000 -0.037 0.000 0.889 536 D CB 0.907 41.692 40.800 -0.025 0.000 1.199 536 D HN 0.067 nan 8.370 nan 0.000 0.436 537 E N -0.318 119.874 120.200 -0.013 0.000 2.529 537 E HA 0.152 4.509 4.350 0.011 0.000 0.259 537 E C 1.106 177.707 176.600 0.001 0.000 0.966 537 E CA 0.942 57.340 56.400 -0.004 0.000 0.937 537 E CB -0.138 29.564 29.700 0.003 0.000 0.923 537 E HN 0.723 nan 8.360 nan 0.000 0.468 538 G N 2.975 111.777 108.800 0.004 0.000 2.179 538 G HA2 -0.309 3.657 3.960 0.011 0.000 0.260 538 G HA3 -0.309 3.657 3.960 0.011 0.000 0.260 538 G C 0.607 175.512 174.900 0.009 0.000 0.977 538 G CA 0.209 45.318 45.100 0.014 0.000 0.641 538 G HN 0.626 nan 8.290 nan 0.000 0.533 539 C N 0.962 120.254 119.300 -0.015 0.000 3.385 539 C HA 0.372 4.838 4.460 0.011 0.000 0.288 539 C C 2.477 177.435 174.990 -0.054 0.000 1.429 539 C CA 0.969 59.960 59.018 -0.045 0.000 1.778 539 C CB -0.584 27.117 27.740 -0.065 0.000 2.503 539 C HN 0.766 nan 8.230 nan 0.000 0.646 540 T N -1.699 112.837 114.554 -0.030 0.000 3.055 540 T HA 0.033 4.389 4.350 0.011 0.000 0.265 540 T C 0.376 175.076 174.700 0.000 0.000 1.111 540 T CA 0.998 63.087 62.100 -0.019 0.000 1.118 540 T CB 0.353 69.217 68.868 -0.007 0.000 0.909 540 T HN 0.607 nan 8.240 nan 0.000 0.501 541 E N 0.301 120.502 120.200 0.002 0.000 2.299 541 E HA 0.529 4.885 4.350 0.011 0.000 0.260 541 E C -0.530 176.080 176.600 0.017 0.000 0.944 541 E CA -1.147 55.262 56.400 0.015 0.000 0.815 541 E CB 1.783 31.494 29.700 0.019 0.000 1.252 541 E HN 0.090 nan 8.360 nan 0.000 0.418 542 R N 0.839 121.356 120.500 0.028 0.000 2.641 542 R HA 0.086 4.433 4.340 0.011 0.000 0.269 542 R C -1.005 175.323 176.300 0.047 0.000 1.074 542 R CA 0.180 56.304 56.100 0.040 0.000 1.133 542 R CB 0.463 30.786 30.300 0.038 0.000 1.029 542 R HN 0.360 nan 8.270 nan 0.000 0.488 543 D N 1.274 121.724 120.400 0.084 0.000 2.346 543 D HA 0.143 4.790 4.640 0.011 0.000 0.255 543 D C -0.516 175.857 176.300 0.122 0.000 1.276 543 D CA -0.326 53.749 54.000 0.125 0.000 0.941 543 D CB 1.030 41.977 40.800 0.245 0.000 1.199 543 D HN 0.437 nan 8.370 nan 0.000 0.537 544 D N 1.729 122.153 120.400 0.040 0.000 2.277 544 D HA -0.060 4.587 4.640 0.011 0.000 0.208 544 D C 2.045 178.343 176.300 -0.003 0.000 0.962 544 D CA 0.502 54.506 54.000 0.006 0.000 0.865 544 D CB 0.793 41.559 40.800 -0.058 0.000 0.939 544 D HN 0.259 nan 8.370 nan 0.000 0.510 545 V N 2.090 122.006 119.914 0.003 0.000 2.223 545 V HA -0.218 3.909 4.120 0.011 0.000 0.244 545 V C 1.920 177.980 176.094 -0.057 0.000 1.045 545 V CA 1.575 63.864 62.300 -0.018 0.000 1.000 545 V CB -0.368 31.452 31.823 -0.005 0.000 0.635 545 V HN 0.181 nan 8.190 nan 0.000 0.445 546 N N -1.405 117.258 118.700 -0.062 0.000 2.415 546 N HA 0.115 4.861 4.740 0.011 0.000 0.174 546 N C 0.977 176.169 175.510 -0.531 0.000 1.048 546 N CA 0.693 53.570 53.050 -0.288 0.000 0.895 546 N CB 0.351 38.634 38.487 -0.339 0.000 1.036 546 N HN 0.491 nan 8.380 nan 0.000 0.449 547 F N 0.480 120.378 119.950 -0.087 0.000 2.764 547 F HA 0.310 4.843 4.527 0.010 0.000 0.310 547 F C 0.330 176.085 175.800 -0.075 0.000 1.124 547 F CA -0.533 57.399 58.000 -0.113 0.000 1.252 547 F CB 0.493 39.452 39.000 -0.068 0.000 1.010 547 F HN -0.157 nan 8.300 nan 0.000 0.518 548 L N 3.778 125.023 121.223 0.035 0.000 2.384 548 L HA 0.270 4.617 4.340 0.011 0.000 0.258 548 L C -0.107 176.755 176.870 -0.013 0.000 1.266 548 L CA 0.211 55.062 54.840 0.019 0.000 1.162 548 L CB -1.497 40.566 42.059 0.007 0.000 1.375 548 L HN 0.189 nan 8.230 nan 0.000 0.420 549 K N 0.708 121.102 120.400 -0.011 0.000 2.625 549 K HA 0.397 4.724 4.320 0.011 0.000 0.284 549 K C -1.209 175.432 176.600 0.067 0.000 0.984 549 K CA -0.950 55.348 56.287 0.017 0.000 0.865 549 K CB 0.981 33.497 32.500 0.025 0.000 1.468 549 K HN 0.003 nan 8.250 nan 0.000 0.407 550 H N 1.086 120.281 119.070 0.209 0.000 2.610 550 H HA 0.169 4.732 4.556 0.012 0.000 0.336 550 H C -0.341 175.205 175.328 0.365 0.000 1.087 550 H CA 0.030 56.217 56.048 0.232 0.000 1.405 550 H CB 1.511 31.355 29.762 0.136 0.000 1.460 550 H HN 0.489 nan 8.280 nan 0.000 0.538 551 T N 5.399 120.240 114.554 0.477 0.000 2.761 551 T HA 0.283 4.639 4.350 0.011 0.000 0.296 551 T C 0.750 175.516 174.700 0.110 0.000 0.934 551 T CA -0.514 61.794 62.100 0.348 0.000 1.091 551 T CB 0.139 69.190 68.868 0.305 0.000 0.896 551 T HN 0.242 nan 8.240 nan 0.000 0.515 552 L N 2.951 124.145 121.223 -0.050 0.000 2.305 552 L HA 0.675 5.022 4.340 0.011 0.000 0.284 552 L C 0.184 176.948 176.870 -0.175 0.000 1.013 552 L CA -1.055 53.705 54.840 -0.133 0.000 0.819 552 L CB 1.325 43.329 42.059 -0.091 0.000 1.227 552 L HN 0.660 nan 8.230 nan 0.000 0.417 553 A N 4.098 126.775 122.820 -0.238 0.000 2.273 553 A HA 0.782 5.108 4.320 0.011 0.000 0.315 553 A C -1.010 176.418 177.584 -0.259 0.000 1.256 553 A CA -0.290 51.657 52.037 -0.150 0.000 0.851 553 A CB 0.322 19.274 19.000 -0.080 0.000 1.172 553 A HN 0.499 nan 8.150 nan 0.000 0.508 554 F N 0.924 120.828 119.950 -0.076 0.000 2.470 554 F HA 0.615 5.147 4.527 0.008 0.000 0.329 554 F C 0.869 176.630 175.800 -0.064 0.000 1.072 554 F CA -0.411 57.552 58.000 -0.063 0.000 0.989 554 F CB 1.734 40.694 39.000 -0.066 0.000 1.193 554 F HN 0.561 nan 8.300 nan 0.000 0.481 555 R N 1.908 122.490 120.500 0.138 0.000 2.310 555 R HA 0.293 4.640 4.340 0.011 0.000 0.324 555 R C -1.303 175.031 176.300 0.055 0.000 0.955 555 R CA -0.690 55.447 56.100 0.062 0.000 0.830 555 R CB 0.630 30.946 30.300 0.027 0.000 1.154 555 R HN 0.630 nan 8.270 nan 0.000 0.458 556 D N 1.985 122.398 120.400 0.022 0.000 2.377 556 D HA 0.152 4.798 4.640 0.011 0.000 0.245 556 D C 1.084 177.377 176.300 -0.012 0.000 1.196 556 D CA 0.217 54.215 54.000 -0.004 0.000 0.962 556 D CB 1.232 42.015 40.800 -0.028 0.000 1.127 556 D HN 0.612 nan 8.370 nan 0.000 0.471 557 A N 1.058 123.865 122.820 -0.021 0.000 1.972 557 A HA -0.182 4.144 4.320 0.011 0.000 0.219 557 A C 1.470 179.043 177.584 -0.019 0.000 1.169 557 A CA 1.753 53.775 52.037 -0.024 0.000 0.635 557 A CB -0.508 18.475 19.000 -0.029 0.000 0.810 557 A HN 0.668 nan 8.150 nan 0.000 0.446 558 D N -1.670 118.719 120.400 -0.019 0.000 2.378 558 D HA 0.183 4.830 4.640 0.011 0.000 0.222 558 D C 1.191 177.485 176.300 -0.010 0.000 0.980 558 D CA 1.095 55.086 54.000 -0.014 0.000 0.907 558 D CB -0.730 40.060 40.800 -0.017 0.000 0.899 558 D HN 0.926 nan 8.370 nan 0.000 0.527 559 G N -0.131 108.662 108.800 -0.011 0.000 2.134 559 G HA2 -0.202 3.764 3.960 0.011 0.000 0.209 559 G HA3 -0.202 3.764 3.960 0.011 0.000 0.209 559 G C 0.286 175.180 174.900 -0.010 0.000 0.993 559 G CA 0.302 45.398 45.100 -0.007 0.000 0.669 559 G HN 0.809 nan 8.290 nan 0.000 0.519 560 T N -1.529 113.011 114.554 -0.023 0.000 2.867 560 T HA 0.639 4.996 4.350 0.011 0.000 0.282 560 T C 0.042 174.695 174.700 -0.078 0.000 1.000 560 T CA 0.109 62.179 62.100 -0.050 0.000 1.042 560 T CB 2.117 70.952 68.868 -0.054 0.000 0.973 560 T HN 0.282 nan 8.240 nan 0.000 0.465 561 T N 4.038 118.493 114.554 -0.165 0.000 2.794 561 T HA 0.361 4.717 4.350 0.011 0.000 0.304 561 T C 0.218 174.776 174.700 -0.237 0.000 0.973 561 T CA -0.516 61.470 62.100 -0.191 0.000 0.972 561 T CB -0.114 68.628 68.868 -0.210 0.000 0.952 561 T HN 0.489 nan 8.240 nan 0.000 0.509 562 R N 2.678 123.130 120.500 -0.079 0.000 2.407 562 R HA 0.589 4.936 4.340 0.011 0.000 0.303 562 R C -0.496 175.823 176.300 0.031 0.000 0.981 562 R CA -0.692 55.374 56.100 -0.057 0.000 0.905 562 R CB 1.275 31.539 30.300 -0.060 0.000 1.099 562 R HN 0.482 nan 8.270 nan 0.000 0.459 563 L N 2.124 123.324 121.223 -0.038 0.000 2.322 563 L HA 0.457 4.803 4.340 0.011 0.000 0.279 563 L C 0.168 176.953 176.870 -0.141 0.000 1.036 563 L CA -0.411 54.375 54.840 -0.091 0.000 0.807 563 L CB 1.556 43.499 42.059 -0.192 0.000 1.226 563 L HN 0.538 nan 8.230 nan 0.000 0.433 564 E N 1.065 121.180 120.200 -0.141 0.000 2.378 564 E HA 0.525 4.882 4.350 0.011 0.000 0.265 564 E C -1.783 174.604 176.600 -0.355 0.000 0.932 564 E CA -0.796 55.522 56.400 -0.137 0.000 0.795 564 E CB 2.654 32.441 29.700 0.144 0.000 1.296 564 E HN 0.329 nan 8.360 nan 0.000 0.438 565 Y N 0.087 120.460 120.300 0.121 0.000 2.462 565 Y HA 0.388 4.945 4.550 0.012 0.000 0.346 565 Y C -0.100 175.866 175.900 0.110 0.000 0.976 565 Y CA -0.754 57.414 58.100 0.114 0.000 1.044 565 Y CB 2.290 40.797 38.460 0.078 0.000 1.230 565 Y HN 0.443 nan 8.280 nan 0.000 0.455 566 S N 0.850 116.743 115.700 0.321 0.000 2.548 566 S HA 0.446 4.922 4.470 0.011 0.000 0.286 566 S C -1.275 173.468 174.600 0.238 0.000 1.098 566 S CA -1.193 57.145 58.200 0.229 0.000 0.930 566 S CB 1.787 65.096 63.200 0.182 0.000 1.070 566 S HN 0.545 nan 8.310 nan 0.000 0.480 567 D N 0.950 121.453 120.400 0.171 0.000 2.368 567 D HA 0.254 4.901 4.640 0.011 0.000 0.240 567 D C -0.339 176.079 176.300 0.197 0.000 1.169 567 D CA 0.084 54.167 54.000 0.139 0.000 0.906 567 D CB 1.128 41.986 40.800 0.096 0.000 1.187 567 D HN 0.368 nan 8.370 nan 0.000 0.435 568 V N 2.014 122.001 119.914 0.122 0.000 2.370 568 V HA 0.086 4.212 4.120 0.011 0.000 0.283 568 V C 0.321 176.487 176.094 0.120 0.000 1.023 568 V CA -0.769 61.606 62.300 0.124 0.000 0.857 568 V CB 1.442 33.257 31.823 -0.013 0.000 0.985 568 V HN 0.373 nan 8.190 nan 0.000 0.443 569 K N 6.739 127.221 120.400 0.137 0.000 2.368 569 K HA 0.369 4.696 4.320 0.011 0.000 0.282 569 K C -0.456 176.219 176.600 0.124 0.000 1.035 569 K CA -0.122 56.234 56.287 0.115 0.000 0.973 569 K CB 0.434 32.997 32.500 0.104 0.000 0.957 569 K HN 0.631 nan 8.250 nan 0.000 0.474 570 I N 2.280 122.926 120.570 0.126 0.000 2.530 570 I HA 0.421 4.597 4.170 0.011 0.000 0.297 570 I C 0.324 176.533 176.117 0.152 0.000 1.011 570 I CA -0.555 60.839 61.300 0.156 0.000 1.107 570 I CB 0.873 38.973 38.000 0.167 0.000 1.285 570 I HN 0.884 nan 8.210 nan 0.000 0.436 571 T N 0.753 115.423 114.554 0.194 0.000 3.480 571 T HA 0.045 4.402 4.350 0.011 0.000 0.229 571 T C 1.333 176.112 174.700 0.133 0.000 0.944 571 T CA 1.378 63.568 62.100 0.150 0.000 1.388 571 T CB -0.530 68.425 68.868 0.144 0.000 1.180 571 T HN 0.783 nan 8.240 nan 0.000 0.414 572 T N -1.053 113.596 114.554 0.159 0.000 3.001 572 T HA 0.410 4.766 4.350 0.011 0.000 0.251 572 T C 0.188 175.014 174.700 0.210 0.000 1.040 572 T CA -0.344 61.823 62.100 0.112 0.000 0.985 572 T CB -0.048 68.800 68.868 -0.034 0.000 1.011 572 T HN 0.274 nan 8.240 nan 0.000 0.509 573 L N 3.525 124.943 121.223 0.326 0.000 2.462 573 L HA 0.557 4.903 4.340 0.011 0.000 0.255 573 L C -2.801 174.332 176.870 0.439 0.000 1.076 573 L CA -2.089 52.984 54.840 0.388 0.000 0.920 573 L CB 1.616 43.963 42.059 0.480 0.000 1.214 573 L HN -0.101 nan 8.230 nan 0.000 0.472 574 P HA 0.410 nan 4.420 nan 0.000 0.276 574 P C -2.759 174.649 177.300 0.180 0.000 1.252 574 P CA -1.206 62.050 63.100 0.259 0.000 0.802 574 P CB 0.143 31.920 31.700 0.130 0.000 1.035 575 P HA 0.190 nan 4.420 nan 0.000 0.282 575 P C -1.595 175.525 177.300 -0.299 0.000 1.287 575 P CA -0.690 62.010 63.100 -0.666 0.000 0.792 575 P CB 0.867 31.947 31.700 -1.033 0.000 1.163 576 A N 0.000 122.638 122.820 -0.303 0.000 2.254 576 A HA 0.000 4.326 4.320 0.011 0.000 0.244 576 A CA 0.000 51.946 52.037 -0.151 0.000 0.836 576 A CB 0.000 18.926 19.000 -0.123 0.000 0.831 576 A HN 0.000 nan 8.150 nan 0.000 0.486