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 2qza_1_B DATA FIRST_RESID 165 DATA SEQUENCE SSPSSPADWA KKLTDAVLRQ KAGETLTAAD RDFSNADFRN ITFSKILPPS DATA SEQUENCE FXERDGDIIK GFNFSNSKFT YSDISHLHFD ECRFTYSTLS DVVCSNTKFS DATA SEQUENCE NSDXNEVFLQ YSITTQQQPS FIDTTLKNTL IRHKANLSGV ILNEPDNSSP DATA SEQUENCE PSVSGGGNFI RLGDIWLQXP LLWTENAVDG FLNHEHNNGK SILXTIDSLP DATA SEQUENCE DKYSQEKVQA XEDLVKSLRG GRLTEACIRP VESSLVSVLA HPPYTQSALI DATA SEQUENCE SEWLGPVQER FFAHQCQTYN DVPLPAPDTY YQQRILPVLL DSFDRNSAAX DATA SEQUENCE TTHSGLFNQV ILHCXTGVDC TDGTRQKAAA LYEQYLAHPA VSPHIHNGLF DATA SEQUENCE GNYDGSPDWT TRAADNFLLL SSQDSDTAXX LSTDTLLTXL NPTPDTAWDN DATA SEQUENCE FYLLRAGENV STAQISPVEL FRHDFPVFLA AFNQQATQRR FGELIDIXXX DATA SEQUENCE XXXHGELNQQ FLAATNQKHS TVKLIDDASV SRLATIFDPL LPEGKLSPAH DATA SEQUENCE YQHILSAYHL TDATPQKQAE TLFCLSTAFA RYSSSAIFGT EHDSPPALRG DATA SEQUENCE YAEALXQKAW ELSPAIFPSS EQFTEWSDRF HGLHGAFTCT SVVADSXQRH DATA SEQUENCE ARKYFPSVLS SILPLAWA 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 165 S HA 0.000 nan 4.470 nan 0.000 0.327 165 S C 0.000 174.556 174.600 -0.073 0.000 1.055 165 S CA 0.000 58.170 58.200 -0.050 0.000 1.107 165 S CB 0.000 63.174 63.200 -0.044 0.000 0.593 166 S N 1.363 116.992 115.700 -0.119 0.000 2.841 166 S HA 0.904 5.373 4.470 -0.000 0.000 0.318 166 S C -3.192 171.227 174.600 -0.302 0.000 1.127 166 S CA -1.191 56.893 58.200 -0.192 0.000 0.883 166 S CB -0.008 63.061 63.200 -0.218 0.000 1.271 166 S HN 0.030 nan 8.310 nan 0.000 0.567 167 P HA 0.426 nan 4.420 nan 0.000 0.278 167 P C 0.577 177.711 177.300 -0.277 0.000 1.238 167 P CA -0.531 62.255 63.100 -0.523 0.000 0.794 167 P CB 1.194 32.324 31.700 -0.950 0.000 0.955 168 S N 1.678 117.288 115.700 -0.150 0.000 2.436 168 S HA -0.058 4.412 4.470 -0.000 0.000 0.208 168 S C 1.089 175.696 174.600 0.011 0.000 1.063 168 S CA 1.091 59.261 58.200 -0.049 0.000 1.120 168 S CB -0.637 62.541 63.200 -0.037 0.000 1.053 168 S HN 0.581 nan 8.310 nan 0.000 0.407 169 S N 1.493 117.204 115.700 0.019 0.000 2.579 169 S HA 0.281 4.751 4.470 -0.000 0.000 0.275 169 S C -1.922 172.767 174.600 0.148 0.000 1.345 169 S CA -1.079 57.161 58.200 0.067 0.000 1.031 169 S CB 0.684 63.910 63.200 0.043 0.000 0.892 169 S HN 0.295 nan 8.310 nan 0.000 0.529 170 P HA 0.012 nan 4.420 nan 0.000 0.221 170 P C 0.924 178.360 177.300 0.226 0.000 1.145 170 P CA 1.192 64.444 63.100 0.253 0.000 0.795 170 P CB -0.032 31.761 31.700 0.154 0.000 0.775 171 A N -0.524 122.372 122.820 0.126 0.000 2.066 171 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 171 A C 1.897 179.526 177.584 0.075 0.000 1.157 171 A CA 1.436 53.514 52.037 0.068 0.000 0.670 171 A CB -0.973 18.042 19.000 0.024 0.000 0.804 171 A HN 0.055 nan 8.150 nan 0.000 0.453 172 D N -1.069 119.375 120.400 0.073 0.000 2.149 172 D HA -0.131 4.509 4.640 -0.000 0.000 0.201 172 D C 1.580 177.919 176.300 0.065 0.000 0.972 172 D CA 0.799 54.808 54.000 0.015 0.000 0.835 172 D CB -0.331 40.421 40.800 -0.079 0.000 0.966 172 D HN 0.706 nan 8.370 nan 0.000 0.476 173 W N 1.747 123.104 121.300 0.096 0.000 2.338 173 W HA -0.148 4.512 4.660 -0.000 0.000 0.304 173 W C 2.603 179.362 176.519 0.400 0.000 1.212 173 W CA 1.382 58.839 57.345 0.186 0.000 1.264 173 W CB -0.262 29.142 29.460 -0.092 0.000 1.142 173 W HN -0.065 nan 8.180 nan 0.000 0.512 174 A N 0.812 123.926 122.820 0.490 0.000 1.908 174 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 174 A C 1.976 179.598 177.584 0.063 0.000 1.181 174 A CA 3.088 55.197 52.037 0.120 0.000 0.627 174 A CB -1.341 17.529 19.000 -0.216 0.000 0.818 174 A HN 0.241 nan 8.150 nan 0.000 0.445 175 K N 0.247 120.700 120.400 0.089 0.000 1.985 175 K HA -0.125 4.195 4.320 -0.000 0.000 0.210 175 K C 2.075 178.758 176.600 0.137 0.000 1.047 175 K CA 1.925 58.251 56.287 0.066 0.000 0.932 175 K CB -0.831 31.692 32.500 0.039 0.000 0.716 175 K HN 0.572 nan 8.250 nan 0.000 0.439 176 K N -0.137 120.395 120.400 0.220 0.000 2.160 176 K HA -0.025 4.294 4.320 -0.000 0.000 0.206 176 K C 2.182 179.080 176.600 0.497 0.000 1.047 176 K CA 1.352 57.841 56.287 0.337 0.000 0.930 176 K CB -0.277 32.429 32.500 0.344 0.000 0.720 176 K HN 0.358 nan 8.250 nan 0.000 0.450 177 L N 0.502 121.946 121.223 0.370 0.000 2.072 177 L HA -0.168 4.172 4.340 -0.000 0.000 0.205 177 L C 1.996 178.865 176.870 -0.002 0.000 1.079 177 L CA 1.390 56.253 54.840 0.039 0.000 0.752 177 L CB -0.418 41.566 42.059 -0.125 0.000 0.906 177 L HN 0.246 nan 8.230 nan 0.000 0.436 178 T N -0.261 114.290 114.554 -0.004 0.000 2.652 178 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 178 T C 1.359 176.087 174.700 0.045 0.000 1.039 178 T CA 1.677 63.752 62.100 -0.041 0.000 1.153 178 T CB -0.359 68.485 68.868 -0.040 0.000 0.863 178 T HN 0.433 nan 8.240 nan 0.000 0.428 179 D N 1.678 122.138 120.400 0.100 0.000 2.149 179 D HA -0.054 4.586 4.640 -0.000 0.000 0.198 179 D C 2.349 178.752 176.300 0.172 0.000 0.990 179 D CA 1.223 55.297 54.000 0.123 0.000 0.839 179 D CB -0.529 40.343 40.800 0.121 0.000 0.948 179 D HN 0.450 nan 8.370 nan 0.000 0.460 180 A N 1.361 124.331 122.820 0.249 0.000 1.845 180 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 180 A C 2.595 180.377 177.584 0.329 0.000 1.195 180 A CA 2.454 54.705 52.037 0.356 0.000 0.616 180 A CB -1.020 18.354 19.000 0.623 0.000 0.832 180 A HN 0.221 nan 8.150 nan 0.000 0.443 181 V N -1.958 118.108 119.914 0.254 0.000 2.515 181 V HA -0.137 3.983 4.120 -0.000 0.000 0.250 181 V C 2.250 178.521 176.094 0.294 0.000 1.058 181 V CA 1.861 64.320 62.300 0.265 0.000 1.064 181 V CB -0.990 30.841 31.823 0.014 0.000 0.675 181 V HN 0.425 nan 8.190 nan 0.000 0.461 182 L N 0.078 121.431 121.223 0.218 0.000 2.291 182 L HA -0.012 4.327 4.340 -0.000 0.000 0.214 182 L C 3.335 180.297 176.870 0.153 0.000 1.120 182 L CA 1.401 56.361 54.840 0.201 0.000 0.799 182 L CB -0.720 41.428 42.059 0.148 0.000 0.925 182 L HN 0.492 nan 8.230 nan 0.000 0.446 183 R N 0.205 120.797 120.500 0.154 0.000 2.115 183 R HA -0.105 4.234 4.340 -0.000 0.000 0.226 183 R C 1.867 178.239 176.300 0.119 0.000 1.100 183 R CA 1.240 57.414 56.100 0.124 0.000 0.980 183 R CB -1.065 29.310 30.300 0.125 0.000 0.875 183 R HN 0.547 nan 8.270 nan 0.000 0.445 184 Q N -0.285 119.608 119.800 0.156 0.000 2.378 184 Q HA -0.011 4.329 4.340 -0.000 0.000 0.205 184 Q C 1.849 177.916 176.000 0.111 0.000 0.954 184 Q CA 1.069 56.953 55.803 0.134 0.000 0.901 184 Q CB 0.094 28.939 28.738 0.179 0.000 0.981 184 Q HN 0.469 nan 8.270 nan 0.000 0.483 185 K N 1.657 122.133 120.400 0.127 0.000 2.097 185 K HA -0.066 4.253 4.320 -0.000 0.000 0.206 185 K C 0.776 177.404 176.600 0.047 0.000 1.049 185 K CA 1.018 57.352 56.287 0.078 0.000 0.933 185 K CB -0.216 32.345 32.500 0.101 0.000 0.717 185 K HN 0.220 nan 8.250 nan 0.000 0.442 186 A N -0.751 122.102 122.820 0.056 0.000 2.251 186 A HA 0.411 4.730 4.320 -0.000 0.000 0.278 186 A C 1.318 178.923 177.584 0.036 0.000 1.206 186 A CA 0.114 52.174 52.037 0.040 0.000 0.822 186 A CB -0.369 18.656 19.000 0.042 0.000 1.187 186 A HN 0.400 nan 8.150 nan 0.000 0.504 187 G N -1.144 107.673 108.800 0.027 0.000 2.956 187 G HA2 0.154 4.114 3.960 -0.000 0.000 0.207 187 G HA3 0.154 4.114 3.960 -0.000 0.000 0.207 187 G C 0.482 175.397 174.900 0.025 0.000 1.162 187 G CA 0.544 45.657 45.100 0.022 0.000 0.796 187 G HN 0.807 nan 8.290 nan 0.000 0.527 188 E N 0.742 120.962 120.200 0.034 0.000 2.360 188 E HA 0.266 4.616 4.350 -0.000 0.000 0.269 188 E C -0.427 176.192 176.600 0.031 0.000 1.022 188 E CA -0.138 56.282 56.400 0.033 0.000 0.887 188 E CB 0.499 30.225 29.700 0.044 0.000 0.990 188 E HN 0.031 nan 8.360 nan 0.000 0.426 189 T N 4.579 119.144 114.554 0.018 0.000 2.859 189 T HA 0.389 4.739 4.350 -0.000 0.000 0.281 189 T C -0.243 174.457 174.700 -0.000 0.000 1.005 189 T CA -0.619 61.484 62.100 0.006 0.000 1.025 189 T CB 0.603 69.469 68.868 -0.003 0.000 0.977 189 T HN 0.371 nan 8.240 nan 0.000 0.458 190 L N 2.884 124.094 121.223 -0.021 0.000 2.309 190 L HA 0.452 4.792 4.340 -0.000 0.000 0.282 190 L C 1.195 178.033 176.870 -0.054 0.000 1.036 190 L CA -1.038 53.784 54.840 -0.031 0.000 0.806 190 L CB 1.522 43.555 42.059 -0.044 0.000 1.220 190 L HN 0.748 nan 8.230 nan 0.000 0.429 191 T N -0.082 114.449 114.554 -0.037 0.000 2.930 191 T HA 0.208 4.558 4.350 -0.000 0.000 0.306 191 T C 1.351 176.014 174.700 -0.061 0.000 1.045 191 T CA -0.009 62.066 62.100 -0.042 0.000 1.134 191 T CB 1.521 70.372 68.868 -0.028 0.000 0.961 191 T HN 0.709 nan 8.240 nan 0.000 0.545 192 A N 3.681 126.464 122.820 -0.062 0.000 1.954 192 A HA -0.091 4.229 4.320 -0.000 0.000 0.222 192 A C 2.712 180.256 177.584 -0.066 0.000 1.199 192 A CA 2.747 54.742 52.037 -0.071 0.000 0.657 192 A CB -1.673 17.297 19.000 -0.050 0.000 0.823 192 A HN 1.483 nan 8.150 nan 0.000 0.463 193 A N 0.210 122.999 122.820 -0.053 0.000 1.869 193 A HA -0.306 4.014 4.320 -0.000 0.000 0.218 193 A C 1.803 179.340 177.584 -0.079 0.000 1.203 193 A CA 2.107 54.110 52.037 -0.056 0.000 0.638 193 A CB -0.911 18.062 19.000 -0.046 0.000 0.831 193 A HN 0.593 nan 8.150 nan 0.000 0.450 194 D N -0.319 120.046 120.400 -0.059 0.000 2.127 194 D HA -0.198 4.441 4.640 -0.000 0.000 0.190 194 D C 1.837 178.138 176.300 0.001 0.000 1.000 194 D CA 1.685 55.667 54.000 -0.030 0.000 0.839 194 D CB -0.517 40.299 40.800 0.028 0.000 0.955 194 D HN 0.491 nan 8.370 nan 0.000 0.446 195 R N 0.582 121.052 120.500 -0.051 0.000 2.369 195 R HA -0.038 4.302 4.340 -0.000 0.000 0.200 195 R C 0.104 176.456 176.300 0.087 0.000 1.046 195 R CA 0.110 56.149 56.100 -0.100 0.000 1.057 195 R CB -0.141 29.873 30.300 -0.476 0.000 0.888 195 R HN 0.080 nan 8.270 nan 0.000 0.474 196 D N -0.104 120.294 120.400 -0.004 0.000 2.441 196 D HA 0.018 4.657 4.640 -0.000 0.000 0.221 196 D C -0.596 175.689 176.300 -0.025 0.000 1.156 196 D CA -0.225 53.780 54.000 0.008 0.000 0.896 196 D CB 0.147 40.932 40.800 -0.025 0.000 1.028 196 D HN -0.020 nan 8.370 nan 0.000 0.509 197 F N 1.476 121.528 119.950 0.170 0.000 2.837 197 F HA 0.227 4.754 4.527 -0.000 0.000 0.298 197 F C 1.089 176.991 175.800 0.170 0.000 1.161 197 F CA -0.502 57.685 58.000 0.311 0.000 1.353 197 F CB 0.021 39.317 39.000 0.494 0.000 0.951 197 F HN 0.086 nan 8.300 nan 0.000 0.508 198 S N 1.100 116.934 115.700 0.223 0.000 2.642 198 S HA -0.137 4.333 4.470 -0.000 0.000 0.308 198 S C 0.774 175.414 174.600 0.066 0.000 1.255 198 S CA 0.439 58.729 58.200 0.150 0.000 1.057 198 S CB -0.302 62.968 63.200 0.118 0.000 0.785 198 S HN 0.727 nan 8.310 nan 0.000 0.500 199 N N -0.786 117.923 118.700 0.014 0.000 2.741 199 N HA -0.209 4.530 4.740 -0.000 0.000 0.251 199 N C -0.124 175.114 175.510 -0.453 0.000 1.112 199 N CA 0.698 53.690 53.050 -0.096 0.000 0.750 199 N CB -1.570 36.921 38.487 0.006 0.000 1.119 199 N HN 0.797 nan 8.380 nan 0.000 0.561 200 A N 0.284 122.621 122.820 -0.805 0.000 2.498 200 A HA 0.230 4.550 4.320 -0.000 0.000 0.239 200 A C 0.338 176.979 177.584 -1.572 0.000 1.068 200 A CA 0.370 51.176 52.037 -2.052 0.000 0.766 200 A CB 0.364 18.373 19.000 -1.651 0.000 1.003 200 A HN 0.239 nan 8.150 nan 0.000 0.497 201 D N 2.013 121.284 120.400 -1.882 0.000 2.485 201 D HA 0.365 5.005 4.640 -0.000 0.000 0.229 201 D C -0.421 175.513 176.300 -0.610 0.000 1.101 201 D CA -0.090 53.425 54.000 -0.808 0.000 0.906 201 D CB -0.139 40.493 40.800 -0.280 0.000 1.019 201 D HN 0.426 nan 8.370 nan 0.000 0.516 202 F N 1.520 121.239 119.950 -0.385 0.000 2.660 202 F HA 0.242 4.769 4.527 -0.000 0.000 0.302 202 F C 1.421 177.186 175.800 -0.059 0.000 1.103 202 F CA -0.619 57.232 58.000 -0.248 0.000 1.340 202 F CB 0.395 39.070 39.000 -0.543 0.000 1.048 202 F HN -0.086 nan 8.300 nan 0.000 0.551 203 R N 1.080 121.645 120.500 0.108 0.000 2.585 203 R HA -0.074 4.266 4.340 -0.000 0.000 0.275 203 R C 0.328 176.758 176.300 0.218 0.000 1.018 203 R CA 0.529 56.741 56.100 0.187 0.000 1.072 203 R CB -0.219 30.189 30.300 0.179 0.000 0.953 203 R HN 0.318 nan 8.270 nan 0.000 0.419 204 N N 0.666 119.532 118.700 0.276 0.000 2.740 204 N HA -0.167 4.572 4.740 -0.000 0.000 0.248 204 N C -1.342 174.263 175.510 0.159 0.000 1.062 204 N CA 0.294 53.471 53.050 0.212 0.000 0.704 204 N CB -0.362 38.206 38.487 0.135 0.000 0.968 204 N HN 0.322 nan 8.380 nan 0.000 0.547 205 I N 1.084 121.774 120.570 0.201 0.000 2.418 205 I HA 0.178 4.348 4.170 -0.000 0.000 0.287 205 I C 0.721 176.968 176.117 0.215 0.000 1.008 205 I CA -0.430 60.945 61.300 0.126 0.000 1.104 205 I CB 1.207 39.208 38.000 0.002 0.000 1.264 205 I HN 0.058 nan 8.210 nan 0.000 0.438 206 T N 2.606 117.237 114.554 0.128 0.000 2.737 206 T HA 0.295 4.645 4.350 -0.000 0.000 0.296 206 T C 0.660 175.436 174.700 0.126 0.000 0.922 206 T CA -0.252 61.947 62.100 0.166 0.000 1.079 206 T CB 0.206 69.135 68.868 0.101 0.000 0.892 206 T HN 0.248 nan 8.240 nan 0.000 0.514 207 F N 1.818 121.764 119.950 -0.008 0.000 2.802 207 F HA 0.136 4.663 4.527 -0.000 0.000 0.300 207 F C 2.338 178.112 175.800 -0.044 0.000 1.168 207 F CA -0.142 57.825 58.000 -0.055 0.000 1.433 207 F CB -0.295 38.647 39.000 -0.097 0.000 1.115 207 F HN 0.576 nan 8.300 nan 0.000 0.582 208 S N -0.495 115.282 115.700 0.129 0.000 2.425 208 S HA -0.068 4.402 4.470 -0.000 0.000 0.225 208 S C 1.770 176.390 174.600 0.032 0.000 1.024 208 S CA 0.638 58.884 58.200 0.077 0.000 0.951 208 S CB -0.069 63.177 63.200 0.077 0.000 0.796 208 S HN 0.338 nan 8.310 nan 0.000 0.498 209 K N 0.615 121.022 120.400 0.011 0.000 2.487 209 K HA 0.224 4.544 4.320 -0.000 0.000 0.192 209 K C 1.400 177.978 176.600 -0.038 0.000 1.027 209 K CA 0.779 57.060 56.287 -0.010 0.000 1.054 209 K CB -0.082 32.412 32.500 -0.010 0.000 0.824 209 K HN 0.461 nan 8.250 nan 0.000 0.510 210 I N -0.783 119.747 120.570 -0.067 0.000 4.338 210 I HA 0.210 4.380 4.170 -0.000 0.000 0.315 210 I C 0.235 176.302 176.117 -0.083 0.000 1.262 210 I CA 0.152 61.389 61.300 -0.105 0.000 1.298 210 I CB 0.273 38.138 38.000 -0.225 0.000 1.257 210 I HN -0.112 nan 8.210 nan 0.000 0.444 211 L N 1.850 123.035 121.223 -0.063 0.000 2.331 211 L HA 0.725 5.065 4.340 -0.000 0.000 0.275 211 L C -2.146 174.749 176.870 0.043 0.000 1.022 211 L CA -2.020 52.782 54.840 -0.062 0.000 0.812 211 L CB 1.497 43.467 42.059 -0.149 0.000 1.257 211 L HN 0.161 nan 8.230 nan 0.000 0.435 212 P HA 0.200 nan 4.420 nan 0.000 0.272 212 P C -2.452 174.975 177.300 0.213 0.000 1.223 212 P CA -1.313 61.887 63.100 0.167 0.000 0.784 212 P CB 0.091 31.914 31.700 0.206 0.000 0.923 213 P HA 0.058 nan 4.420 nan 0.000 0.259 213 P C 0.694 178.027 177.300 0.055 0.000 1.480 213 P CA 0.223 63.376 63.100 0.088 0.000 0.842 213 P CB -0.280 31.441 31.700 0.034 0.000 1.513 214 S N -0.779 114.955 115.700 0.057 0.000 2.428 214 S HA 0.019 4.489 4.470 -0.000 0.000 0.230 214 S C 0.769 175.244 174.600 -0.208 0.000 1.014 214 S CA 0.750 58.872 58.200 -0.131 0.000 0.957 214 S CB -0.500 62.526 63.200 -0.289 0.000 0.784 214 S HN 0.149 nan 8.310 nan 0.000 0.499 218 R N 0.743 121.218 120.500 -0.043 0.000 2.679 218 R HA 0.141 4.481 4.340 -0.000 0.000 0.268 218 R C 0.161 176.435 176.300 -0.043 0.000 1.044 218 R CA 0.587 56.659 56.100 -0.046 0.000 1.105 218 R CB 0.162 30.435 30.300 -0.045 0.000 0.989 218 R HN 0.497 nan 8.270 nan 0.000 0.447 219 D N 0.733 121.111 120.400 -0.036 0.000 2.931 219 D HA -0.154 4.485 4.640 -0.000 0.000 0.228 219 D C 0.128 176.404 176.300 -0.039 0.000 1.180 219 D CA 1.763 55.748 54.000 -0.024 0.000 0.784 219 D CB -0.856 39.928 40.800 -0.026 0.000 1.093 219 D HN 0.806 nan 8.370 nan 0.000 0.421 220 G N -1.017 107.752 108.800 -0.052 0.000 2.525 220 G HA2 0.483 4.442 3.960 -0.000 0.000 0.287 220 G HA3 0.483 4.442 3.960 -0.000 0.000 0.287 220 G C -0.055 174.745 174.900 -0.167 0.000 1.350 220 G CA 0.125 45.159 45.100 -0.110 0.000 1.039 220 G HN 0.464 nan 8.290 nan 0.000 0.513 221 D N -1.210 118.965 120.400 -0.375 0.000 2.488 221 D HA 0.431 5.071 4.640 -0.000 0.000 0.238 221 D C 0.164 176.265 176.300 -0.331 0.000 1.138 221 D CA 0.315 53.948 54.000 -0.611 0.000 0.873 221 D CB 0.284 40.172 40.800 -1.520 0.000 1.183 221 D HN 0.445 nan 8.370 nan 0.000 0.458 222 I N 0.005 120.516 120.570 -0.098 0.000 2.693 222 I HA 0.430 4.599 4.170 -0.000 0.000 0.303 222 I C 0.234 176.438 176.117 0.145 0.000 1.025 222 I CA -0.924 60.392 61.300 0.027 0.000 1.086 222 I CB 2.255 40.194 38.000 -0.101 0.000 1.268 222 I HN 0.640 nan 8.210 nan 0.000 0.440 223 I N 3.678 124.257 120.570 0.017 0.000 2.291 223 I HA 0.430 4.599 4.170 -0.000 0.000 0.290 223 I C -0.612 175.605 176.117 0.165 0.000 1.050 223 I CA 0.060 61.379 61.300 0.032 0.000 1.245 223 I CB 0.384 38.190 38.000 -0.324 0.000 1.405 223 I HN 0.500 nan 8.210 nan 0.000 0.478 224 K N 5.572 126.172 120.400 0.334 0.000 2.292 224 K HA 0.576 4.896 4.320 -0.000 0.000 0.257 224 K C 0.440 177.187 176.600 0.245 0.000 0.940 224 K CA -0.225 56.206 56.287 0.241 0.000 0.811 224 K CB 1.606 34.167 32.500 0.101 0.000 1.120 224 K HN 1.018 nan 8.250 nan 0.000 0.428 225 G N 3.539 112.430 108.800 0.152 0.000 2.204 225 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.244 225 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.244 225 G C -0.755 174.003 174.900 -0.238 0.000 1.062 225 G CA -0.221 44.846 45.100 -0.055 0.000 0.798 225 G HN 0.418 nan 8.290 nan 0.000 0.496 226 F N -0.038 119.840 119.950 -0.119 0.000 2.450 226 F HA 0.600 5.126 4.527 -0.000 0.000 0.332 226 F C 0.395 175.897 175.800 -0.498 0.000 1.093 226 F CA -1.558 56.250 58.000 -0.321 0.000 1.003 226 F CB 1.754 40.412 39.000 -0.569 0.000 1.151 226 F HN 0.032 nan 8.300 nan 0.000 0.474 227 N N 2.785 121.352 118.700 -0.222 0.000 2.439 227 N HA 0.251 4.991 4.740 -0.000 0.000 0.249 227 N C -0.794 174.630 175.510 -0.144 0.000 1.003 227 N CA -0.149 52.808 53.050 -0.154 0.000 0.942 227 N CB 0.059 38.531 38.487 -0.025 0.000 1.115 227 N HN 0.495 nan 8.380 nan 0.000 0.505 228 F N 0.687 120.700 119.950 0.104 0.000 2.772 228 F HA 0.279 4.806 4.527 -0.000 0.000 0.302 228 F C 0.936 176.833 175.800 0.161 0.000 1.136 228 F CA -0.630 57.479 58.000 0.181 0.000 1.322 228 F CB 0.405 39.499 39.000 0.158 0.000 0.967 228 F HN 0.223 nan 8.300 nan 0.000 0.513 229 S N 1.209 117.058 115.700 0.247 0.000 2.552 229 S HA -0.109 4.361 4.470 -0.000 0.000 0.289 229 S C 0.487 175.238 174.600 0.251 0.000 1.304 229 S CA -0.024 58.311 58.200 0.225 0.000 1.063 229 S CB -0.039 63.272 63.200 0.184 0.000 0.848 229 S HN 0.621 nan 8.310 nan 0.000 0.499 230 N N 1.829 120.706 118.700 0.294 0.000 2.607 230 N HA -0.200 4.539 4.740 -0.000 0.000 0.285 230 N C 0.249 175.867 175.510 0.179 0.000 1.151 230 N CA 1.023 54.223 53.050 0.251 0.000 0.749 230 N CB -0.784 37.819 38.487 0.194 0.000 0.923 230 N HN 0.410 nan 8.380 nan 0.000 0.552 231 S N 1.621 117.454 115.700 0.222 0.000 2.979 231 S HA 0.296 4.766 4.470 -0.000 0.000 0.243 231 S C -0.757 173.882 174.600 0.067 0.000 1.036 231 S CA 0.654 58.952 58.200 0.163 0.000 0.846 231 S CB 0.148 63.594 63.200 0.411 0.000 0.806 231 S HN 0.620 nan 8.310 nan 0.000 0.568 232 K N 0.106 120.643 120.400 0.228 0.000 5.407 232 K HA -0.110 4.210 4.320 -0.000 0.000 0.880 232 K C -1.400 175.294 176.600 0.156 0.000 1.791 232 K CA 0.218 56.602 56.287 0.161 0.000 1.529 232 K CB -1.398 31.118 32.500 0.025 0.000 2.555 232 K HN 0.328 nan 8.250 nan 0.000 0.247 233 F N 0.923 120.906 119.950 0.055 0.000 2.668 233 F HA 0.058 4.584 4.527 -0.000 0.000 0.301 233 F C 0.974 176.801 175.800 0.045 0.000 1.106 233 F CA -0.165 57.895 58.000 0.100 0.000 1.289 233 F CB 0.822 39.842 39.000 0.032 0.000 1.006 233 F HN 0.211 nan 8.300 nan 0.000 0.535 234 T N 0.669 115.279 114.554 0.093 0.000 2.905 234 T HA -0.130 4.220 4.350 -0.000 0.000 0.299 234 T C 0.091 174.731 174.700 -0.100 0.000 1.024 234 T CA 0.601 62.581 62.100 -0.199 0.000 1.151 234 T CB -0.161 68.423 68.868 -0.474 0.000 0.987 234 T HN 0.431 nan 8.240 nan 0.000 0.535 235 Y N -0.578 119.797 120.300 0.126 0.000 4.916 235 Y HA -0.293 4.256 4.550 -0.000 0.000 0.247 235 Y C 1.335 177.315 175.900 0.133 0.000 0.962 235 Y CA 0.478 58.644 58.100 0.110 0.000 1.933 235 Y CB -2.872 35.638 38.460 0.084 0.000 1.451 235 Y HN 0.848 nan 8.280 nan 0.000 0.539 236 S N -0.048 115.818 115.700 0.277 0.000 2.624 236 S HA 0.441 4.911 4.470 -0.000 0.000 0.263 236 S C -0.123 174.614 174.600 0.227 0.000 1.287 236 S CA -0.432 57.943 58.200 0.291 0.000 0.990 236 S CB 2.099 65.528 63.200 0.382 0.000 0.950 236 S HN 0.240 nan 8.310 nan 0.000 0.561 237 D N 0.376 120.924 120.400 0.246 0.000 2.414 237 D HA 0.409 5.048 4.640 -0.000 0.000 0.232 237 D C -0.091 176.274 176.300 0.109 0.000 1.070 237 D CA -0.664 53.434 54.000 0.163 0.000 0.839 237 D CB 0.694 41.591 40.800 0.162 0.000 1.079 237 D HN 0.578 nan 8.370 nan 0.000 0.521 238 I N 0.246 120.801 120.570 -0.025 0.000 3.762 238 I HA 0.282 4.452 4.170 -0.000 0.000 0.333 238 I C 0.305 176.353 176.117 -0.114 0.000 1.566 238 I CA -0.662 60.549 61.300 -0.148 0.000 1.129 238 I CB 0.313 38.187 38.000 -0.210 0.000 1.218 238 I HN -0.060 nan 8.210 nan 0.000 0.456 239 S N 2.074 117.727 115.700 -0.079 0.000 2.558 239 S HA 0.023 4.493 4.470 -0.000 0.000 0.291 239 S C 0.464 175.003 174.600 -0.102 0.000 1.306 239 S CA 0.281 58.369 58.200 -0.187 0.000 1.056 239 S CB -0.347 62.790 63.200 -0.104 0.000 0.836 239 S HN 0.602 nan 8.310 nan 0.000 0.504 240 H N -0.456 118.557 119.070 -0.096 0.000 2.756 240 H HA -0.146 4.410 4.556 -0.000 0.000 0.315 240 H C -0.706 174.566 175.328 -0.093 0.000 1.210 240 H CA 0.419 56.413 56.048 -0.090 0.000 1.150 240 H CB -1.960 27.768 29.762 -0.055 0.000 1.463 240 H HN 0.410 nan 8.280 nan 0.000 0.427 241 L N 0.388 121.558 121.223 -0.087 0.000 2.370 241 L HA 0.433 4.772 4.340 -0.000 0.000 0.266 241 L C 0.537 177.312 176.870 -0.159 0.000 1.002 241 L CA -0.673 54.078 54.840 -0.148 0.000 0.818 241 L CB 2.765 44.668 42.059 -0.260 0.000 1.325 241 L HN 0.322 nan 8.230 nan 0.000 0.418 242 H N 2.314 121.206 119.070 -0.296 0.000 2.595 242 H HA 0.427 4.983 4.556 -0.000 0.000 0.313 242 H C -1.425 173.725 175.328 -0.296 0.000 1.023 242 H CA -0.677 55.239 56.048 -0.221 0.000 1.218 242 H CB 0.957 30.659 29.762 -0.099 0.000 1.403 242 H HN 0.322 nan 8.280 nan 0.000 0.477 243 F N 3.033 122.966 119.950 -0.028 0.000 2.422 243 F HA 0.268 4.795 4.527 -0.000 0.000 0.333 243 F C 0.391 176.189 175.800 -0.004 0.000 1.095 243 F CA -0.341 57.678 58.000 0.032 0.000 1.038 243 F CB 1.452 40.591 39.000 0.232 0.000 1.156 243 F HN 0.511 nan 8.300 nan 0.000 0.483 244 D N 1.389 121.901 120.400 0.186 0.000 2.927 244 D HA 0.323 4.963 4.640 -0.000 0.000 0.219 244 D C -0.462 175.933 176.300 0.158 0.000 1.248 244 D CA 0.257 54.317 54.000 0.101 0.000 0.861 244 D CB 1.919 42.653 40.800 -0.111 0.000 1.677 244 D HN 0.765 nan 8.370 nan 0.000 0.511 245 E N 0.338 120.627 120.200 0.149 0.000 2.228 245 E HA -0.188 4.161 4.350 -0.000 0.000 0.213 245 E C -0.837 175.833 176.600 0.117 0.000 1.282 245 E CA 1.173 57.641 56.400 0.113 0.000 0.707 245 E CB -2.429 27.310 29.700 0.065 0.000 1.150 245 E HN 0.494 nan 8.360 nan 0.000 0.362 246 C N 0.488 119.888 119.300 0.167 0.000 2.562 246 C HA 0.887 5.347 4.460 -0.000 0.000 0.332 246 C C 0.618 175.594 174.990 -0.022 0.000 1.201 246 C CA -0.680 58.388 59.018 0.083 0.000 1.803 246 C CB 1.932 29.790 27.740 0.197 0.000 2.328 246 C HN 0.766 nan 8.230 nan 0.000 0.500 247 R N 1.713 122.108 120.500 -0.176 0.000 2.371 247 R HA 0.361 4.701 4.340 -0.000 0.000 0.312 247 R C -0.890 175.318 176.300 -0.154 0.000 0.980 247 R CA -0.171 55.866 56.100 -0.105 0.000 0.867 247 R CB 0.494 30.765 30.300 -0.048 0.000 1.163 247 R HN 0.778 nan 8.270 nan 0.000 0.492 248 F N 0.072 120.089 119.950 0.112 0.000 2.727 248 F HA 0.109 4.636 4.527 -0.000 0.000 0.302 248 F C 0.974 176.767 175.800 -0.011 0.000 1.097 248 F CA -0.202 57.844 58.000 0.077 0.000 1.330 248 F CB 0.631 39.567 39.000 -0.107 0.000 1.084 248 F HN 0.246 nan 8.300 nan 0.000 0.578 249 T N 1.512 116.085 114.554 0.031 0.000 2.819 249 T HA -0.202 4.148 4.350 -0.000 0.000 0.282 249 T C 0.039 174.633 174.700 -0.177 0.000 1.013 249 T CA 1.192 63.145 62.100 -0.245 0.000 1.159 249 T CB -0.525 68.090 68.868 -0.422 0.000 1.007 249 T HN 0.541 nan 8.240 nan 0.000 0.514 250 Y N -0.332 119.984 120.300 0.026 0.000 4.884 250 Y HA -0.296 4.253 4.550 -0.000 0.000 0.276 250 Y C 1.499 177.443 175.900 0.074 0.000 0.915 250 Y CA 0.299 58.414 58.100 0.025 0.000 1.768 250 Y CB -1.845 36.642 38.460 0.046 0.000 1.172 250 Y HN 0.590 nan 8.280 nan 0.000 0.470 251 S N 0.664 116.494 115.700 0.217 0.000 2.589 251 S HA 0.318 4.788 4.470 -0.000 0.000 0.265 251 S C 0.548 175.275 174.600 0.212 0.000 1.342 251 S CA 0.235 58.579 58.200 0.241 0.000 1.005 251 S CB 0.877 64.257 63.200 0.301 0.000 0.909 251 S HN 0.212 nan 8.310 nan 0.000 0.555 252 T N 2.816 117.511 114.554 0.235 0.000 2.821 252 T HA 0.382 4.732 4.350 -0.000 0.000 0.307 252 T C -0.450 174.335 174.700 0.142 0.000 1.034 252 T CA -0.419 61.809 62.100 0.215 0.000 0.953 252 T CB 0.324 69.283 68.868 0.152 0.000 0.968 252 T HN 0.210 nan 8.240 nan 0.000 0.462 253 L N 3.132 124.384 121.223 0.049 0.000 3.048 253 L HA 0.348 4.688 4.340 -0.000 0.000 0.234 253 L C 0.597 177.465 176.870 -0.004 0.000 1.318 253 L CA 0.135 54.961 54.840 -0.023 0.000 1.109 253 L CB -0.153 41.774 42.059 -0.220 0.000 1.480 253 L HN 0.521 nan 8.230 nan 0.000 0.495 254 S N -0.528 115.160 115.700 -0.020 0.000 2.586 254 S HA 0.189 4.659 4.470 -0.000 0.000 0.274 254 S C 0.578 175.118 174.600 -0.100 0.000 1.281 254 S CA -0.464 57.702 58.200 -0.058 0.000 1.035 254 S CB 1.018 64.154 63.200 -0.107 0.000 0.962 254 S HN 0.531 nan 8.310 nan 0.000 0.512 255 D N 0.149 120.537 120.400 -0.021 0.000 2.792 255 D HA -0.158 4.482 4.640 -0.000 0.000 0.231 255 D C 0.073 176.425 176.300 0.088 0.000 1.160 255 D CA 0.953 54.980 54.000 0.045 0.000 0.697 255 D CB -1.181 39.640 40.800 0.034 0.000 1.070 255 D HN 0.381 nan 8.370 nan 0.000 0.426 256 V N -3.078 116.896 119.914 0.100 0.000 2.904 256 V HA 0.589 4.709 4.120 -0.000 0.000 0.305 256 V C 0.587 176.749 176.094 0.113 0.000 1.067 256 V CA -0.584 61.784 62.300 0.112 0.000 1.044 256 V CB 1.986 33.857 31.823 0.081 0.000 1.050 256 V HN 0.097 nan 8.190 nan 0.000 0.475 257 V N 4.342 124.296 119.914 0.066 0.000 2.328 257 V HA 0.291 4.411 4.120 -0.000 0.000 0.278 257 V C 0.774 176.814 176.094 -0.090 0.000 1.021 257 V CA 0.040 62.336 62.300 -0.006 0.000 0.838 257 V CB 0.263 32.106 31.823 0.033 0.000 0.999 257 V HN 1.192 nan 8.190 nan 0.000 0.447 258 C N 3.212 122.379 119.300 -0.222 0.000 2.518 258 C HA 0.091 4.551 4.460 -0.000 0.000 0.279 258 C C 1.886 176.687 174.990 -0.314 0.000 1.279 258 C CA 0.832 59.697 59.018 -0.254 0.000 1.703 258 C CB -0.843 26.688 27.740 -0.350 0.000 2.072 258 C HN 1.289 nan 8.230 nan 0.000 0.487 259 S N 1.802 117.292 115.700 -0.349 0.000 3.292 259 S HA -0.272 4.198 4.470 -0.000 0.000 0.360 259 S C 0.003 174.280 174.600 -0.539 0.000 0.930 259 S CA 1.001 58.982 58.200 -0.365 0.000 1.317 259 S CB -1.960 61.077 63.200 -0.272 0.000 0.920 259 S HN 0.885 nan 8.310 nan 0.000 0.540 260 N N 0.533 118.996 118.700 -0.394 0.000 2.648 260 N HA -0.150 4.589 4.740 -0.000 0.000 0.265 260 N C -0.552 174.747 175.510 -0.350 0.000 1.100 260 N CA 1.444 54.290 53.050 -0.339 0.000 0.715 260 N CB -0.957 37.374 38.487 -0.261 0.000 0.881 260 N HN 0.659 nan 8.380 nan 0.000 0.548 261 T N 1.983 116.342 114.554 -0.325 0.000 2.859 261 T HA 0.343 4.693 4.350 -0.000 0.000 0.281 261 T C 0.154 174.611 174.700 -0.406 0.000 1.005 261 T CA -0.678 61.206 62.100 -0.360 0.000 1.025 261 T CB 1.780 70.403 68.868 -0.409 0.000 0.977 261 T HN 0.134 nan 8.240 nan 0.000 0.458 262 K N 2.435 122.609 120.400 -0.377 0.000 2.347 262 K HA 0.345 4.665 4.320 -0.000 0.000 0.262 262 K C -1.179 175.342 176.600 -0.132 0.000 1.052 262 K CA -0.397 55.736 56.287 -0.256 0.000 0.946 262 K CB 0.464 32.773 32.500 -0.319 0.000 1.220 262 K HN 0.492 nan 8.250 nan 0.000 0.450 263 F N 1.784 121.732 119.950 -0.005 0.000 2.371 263 F HA 0.151 4.678 4.527 -0.000 0.000 0.363 263 F C 0.862 176.790 175.800 0.214 0.000 1.122 263 F CA -0.595 57.504 58.000 0.164 0.000 1.129 263 F CB 1.149 40.176 39.000 0.045 0.000 1.173 263 F HN 0.276 nan 8.300 nan 0.000 0.489 264 S N 2.989 118.946 115.700 0.429 0.000 2.513 264 S HA 0.428 4.898 4.470 -0.000 0.000 0.299 264 S C -0.500 174.268 174.600 0.279 0.000 1.087 264 S CA -1.125 57.277 58.200 0.337 0.000 1.012 264 S CB 1.319 64.766 63.200 0.412 0.000 1.044 264 S HN 0.647 nan 8.310 nan 0.000 0.485 265 N N 1.017 119.848 118.700 0.219 0.000 2.637 265 N HA -0.159 4.581 4.740 -0.000 0.000 0.287 265 N C -0.947 174.678 175.510 0.192 0.000 1.130 265 N CA 0.952 54.104 53.050 0.170 0.000 0.764 265 N CB -1.165 37.399 38.487 0.129 0.000 0.935 265 N HN 0.641 nan 8.380 nan 0.000 0.558 266 S N -0.300 115.526 115.700 0.209 0.000 2.536 266 S HA 0.261 4.730 4.470 -0.000 0.000 0.271 266 S C -0.519 174.177 174.600 0.160 0.000 1.134 266 S CA -0.841 57.499 58.200 0.233 0.000 0.897 266 S CB 2.677 66.127 63.200 0.415 0.000 1.094 266 S HN 0.403 nan 8.310 nan 0.000 0.473 270 E N -0.320 119.744 120.200 -0.226 0.000 2.222 270 E HA -0.170 4.180 4.350 -0.000 0.000 0.189 270 E C -1.017 175.418 176.600 -0.274 0.000 1.415 270 E CA 0.570 56.843 56.400 -0.212 0.000 0.689 270 E CB -1.126 28.535 29.700 -0.065 0.000 1.107 270 E HN 0.232 nan 8.360 nan 0.000 0.350 271 V N 1.197 120.900 119.914 -0.352 0.000 2.789 271 V HA 0.440 4.559 4.120 -0.000 0.000 0.311 271 V C -0.184 175.648 176.094 -0.436 0.000 1.073 271 V CA -0.730 61.372 62.300 -0.330 0.000 0.921 271 V CB 1.567 33.250 31.823 -0.233 0.000 1.009 271 V HN 0.263 nan 8.190 nan 0.000 0.426 272 F N 4.561 124.468 119.950 -0.073 0.000 2.368 272 F HA 0.448 4.975 4.527 -0.000 0.000 0.362 272 F C 0.574 176.304 175.800 -0.116 0.000 1.137 272 F CA -0.080 57.869 58.000 -0.085 0.000 1.161 272 F CB 0.590 39.551 39.000 -0.064 0.000 1.265 272 F HN 0.195 nan 8.300 nan 0.000 0.530 273 L N 4.196 125.407 121.223 -0.020 0.000 3.100 273 L HA 0.268 4.607 4.340 -0.000 0.000 0.259 273 L C -0.163 176.623 176.870 -0.139 0.000 1.316 273 L CA 0.050 54.834 54.840 -0.093 0.000 0.992 273 L CB 0.102 42.051 42.059 -0.183 0.000 1.390 273 L HN 0.578 nan 8.230 nan 0.000 0.550 274 Q N 1.369 121.114 119.800 -0.092 0.000 2.835 274 Q HA 0.147 4.487 4.340 -0.000 0.000 0.235 274 Q C -0.658 175.267 176.000 -0.125 0.000 1.313 274 Q CA -0.563 55.133 55.803 -0.177 0.000 1.053 274 Q CB 0.094 28.794 28.738 -0.063 0.000 1.443 274 Q HN 0.312 nan 8.270 nan 0.000 0.576 275 Y N -0.997 119.308 120.300 0.008 0.000 2.459 275 Y HA 0.173 4.723 4.550 -0.000 0.000 0.349 275 Y C 0.736 176.654 175.900 0.029 0.000 1.266 275 Y CA -1.218 56.885 58.100 0.005 0.000 1.483 275 Y CB 0.126 38.583 38.460 -0.005 0.000 1.362 275 Y HN 0.166 nan 8.280 nan 0.000 0.628 276 S N 1.281 117.181 115.700 0.334 0.000 2.560 276 S HA 0.109 4.579 4.470 -0.000 0.000 0.284 276 S C 1.390 176.170 174.600 0.300 0.000 1.327 276 S CA -0.731 57.616 58.200 0.245 0.000 1.055 276 S CB -0.114 63.195 63.200 0.182 0.000 0.868 276 S HN 0.620 nan 8.310 nan 0.000 0.506 277 I N 4.071 124.781 120.570 0.233 0.000 2.335 277 I HA -0.134 4.036 4.170 -0.000 0.000 0.251 277 I C 2.686 178.939 176.117 0.226 0.000 1.129 277 I CA 1.755 63.191 61.300 0.226 0.000 1.402 277 I CB -2.394 35.720 38.000 0.191 0.000 1.069 277 I HN 0.850 nan 8.210 nan 0.000 0.424 278 T N -1.238 113.459 114.554 0.238 0.000 3.077 278 T HA -0.072 4.278 4.350 -0.000 0.000 0.269 278 T C 0.964 175.784 174.700 0.201 0.000 1.146 278 T CA 0.378 62.662 62.100 0.307 0.000 1.091 278 T CB -1.023 67.967 68.868 0.205 0.000 0.892 278 T HN 0.218 nan 8.240 nan 0.000 0.533 279 T N 3.080 117.684 114.554 0.084 0.000 2.934 279 T HA 0.081 4.431 4.350 -0.000 0.000 0.306 279 T C 0.822 175.472 174.700 -0.084 0.000 1.042 279 T CA -0.358 61.692 62.100 -0.084 0.000 1.145 279 T CB 0.974 69.625 68.868 -0.361 0.000 0.982 279 T HN 0.340 nan 8.240 nan 0.000 0.544 280 Q N 2.220 121.952 119.800 -0.112 0.000 1.608 280 Q HA 0.116 4.456 4.340 -0.000 0.000 0.634 280 Q C 0.579 176.496 176.000 -0.138 0.000 0.919 280 Q CA 0.545 56.291 55.803 -0.096 0.000 0.853 280 Q CB -0.355 28.350 28.738 -0.055 0.000 1.994 280 Q HN 0.700 nan 8.270 nan 0.000 0.325 281 Q N 2.383 122.099 119.800 -0.141 0.000 2.311 281 Q HA 0.082 4.422 4.340 -0.000 0.000 0.272 281 Q C -0.110 175.775 176.000 -0.192 0.000 1.012 281 Q CA -0.149 55.570 55.803 -0.140 0.000 0.891 281 Q CB 0.074 28.743 28.738 -0.115 0.000 1.201 281 Q HN 0.176 nan 8.270 nan 0.000 0.391 282 Q N 3.019 122.727 119.800 -0.154 0.000 2.361 282 Q HA 0.202 4.542 4.340 -0.000 0.000 0.276 282 Q C -2.228 173.670 176.000 -0.171 0.000 1.022 282 Q CA -1.615 54.097 55.803 -0.151 0.000 0.898 282 Q CB -0.105 28.604 28.738 -0.048 0.000 1.246 282 Q HN 0.308 nan 8.270 nan 0.000 0.410 283 P HA -0.004 nan 4.420 nan 0.000 0.274 283 P C -0.902 176.178 177.300 -0.366 0.000 1.237 283 P CA -0.227 62.706 63.100 -0.279 0.000 0.793 283 P CB 1.041 32.594 31.700 -0.244 0.000 0.977 284 S N 0.325 115.748 115.700 -0.462 0.000 2.503 284 S HA 0.666 5.136 4.470 -0.000 0.000 0.301 284 S C -0.861 173.436 174.600 -0.505 0.000 1.087 284 S CA -0.658 57.330 58.200 -0.353 0.000 1.042 284 S CB 0.639 63.740 63.200 -0.165 0.000 1.043 284 S HN 0.232 nan 8.310 nan 0.000 0.489 285 F N 2.290 122.298 119.950 0.096 0.000 2.449 285 F HA 0.422 4.949 4.527 -0.000 0.000 0.344 285 F C -0.177 175.678 175.800 0.091 0.000 1.180 285 F CA -1.025 57.041 58.000 0.110 0.000 1.209 285 F CB 0.638 39.661 39.000 0.038 0.000 1.440 285 F HN 0.391 nan 8.300 nan 0.000 0.526 286 I N 3.086 123.777 120.570 0.201 0.000 2.452 286 I HA 0.071 4.240 4.170 -0.000 0.000 0.287 286 I C 0.092 176.316 176.117 0.178 0.000 1.079 286 I CA -0.026 61.370 61.300 0.160 0.000 1.387 286 I CB 0.078 38.146 38.000 0.113 0.000 1.404 286 I HN 0.510 nan 8.210 nan 0.000 0.522 287 D N 3.030 123.521 120.400 0.151 0.000 2.705 287 D HA -0.161 4.479 4.640 -0.000 0.000 0.240 287 D C 0.392 176.775 176.300 0.138 0.000 1.137 287 D CA 1.090 55.168 54.000 0.130 0.000 0.677 287 D CB -0.963 39.904 40.800 0.112 0.000 1.049 287 D HN 0.832 nan 8.370 nan 0.000 0.427 288 T N -2.976 111.664 114.554 0.143 0.000 2.883 288 T HA 0.748 5.098 4.350 -0.000 0.000 0.296 288 T C -0.177 174.543 174.700 0.034 0.000 1.117 288 T CA -0.091 62.082 62.100 0.121 0.000 1.006 288 T CB 2.512 71.503 68.868 0.205 0.000 1.191 288 T HN 0.068 nan 8.240 nan 0.000 0.508 289 T N 0.668 115.212 114.554 -0.017 0.000 2.918 289 T HA 0.696 5.046 4.350 -0.000 0.000 0.286 289 T C 0.201 174.798 174.700 -0.172 0.000 1.026 289 T CA -0.973 61.070 62.100 -0.094 0.000 1.031 289 T CB 1.176 69.996 68.868 -0.080 0.000 1.046 289 T HN 0.597 nan 8.240 nan 0.000 0.479 290 L N 0.408 121.494 121.223 -0.229 0.000 3.313 290 L HA 0.400 4.740 4.340 -0.000 0.000 0.320 290 L C 0.457 177.175 176.870 -0.254 0.000 1.304 290 L CA -0.768 53.901 54.840 -0.284 0.000 0.920 290 L CB 0.326 42.152 42.059 -0.388 0.000 1.357 290 L HN 0.673 nan 8.230 nan 0.000 0.602 291 K N 2.170 122.441 120.400 -0.214 0.000 2.473 291 K HA -0.068 4.251 4.320 -0.000 0.000 0.277 291 K C 0.323 176.811 176.600 -0.186 0.000 1.052 291 K CA 0.387 56.553 56.287 -0.202 0.000 1.114 291 K CB 0.208 32.616 32.500 -0.153 0.000 0.869 291 K HN 0.357 nan 8.250 nan 0.000 0.481 292 N N 1.870 120.440 118.700 -0.217 0.000 2.716 292 N HA -0.184 4.556 4.740 -0.000 0.000 0.250 292 N C -1.095 174.410 175.510 -0.009 0.000 1.033 292 N CA 1.280 54.287 53.050 -0.072 0.000 0.727 292 N CB -1.281 37.240 38.487 0.057 0.000 0.950 292 N HN 0.504 nan 8.380 nan 0.000 0.541 293 T N 1.008 115.494 114.554 -0.114 0.000 2.797 293 T HA 0.451 4.800 4.350 -0.000 0.000 0.279 293 T C 0.456 175.099 174.700 -0.094 0.000 0.991 293 T CA -0.564 61.432 62.100 -0.173 0.000 0.979 293 T CB 1.878 70.585 68.868 -0.269 0.000 0.943 293 T HN 0.159 nan 8.240 nan 0.000 0.444 294 L N 6.649 127.812 121.223 -0.099 0.000 2.261 294 L HA 0.579 4.919 4.340 -0.000 0.000 0.289 294 L C -0.365 176.466 176.870 -0.065 0.000 1.059 294 L CA -0.573 54.264 54.840 -0.006 0.000 0.816 294 L CB 0.050 42.126 42.059 0.028 0.000 1.191 294 L HN 0.640 nan 8.230 nan 0.000 0.431 295 I N 1.185 121.708 120.570 -0.078 0.000 2.750 295 I HA 0.567 4.736 4.170 -0.000 0.000 0.308 295 I C 0.020 176.059 176.117 -0.131 0.000 1.016 295 I CA -1.242 59.970 61.300 -0.147 0.000 1.098 295 I CB 1.409 39.300 38.000 -0.181 0.000 1.279 295 I HN 0.481 nan 8.210 nan 0.000 0.454 296 R N 1.918 122.231 120.500 -0.312 0.000 2.827 296 R HA 0.056 4.396 4.340 -0.000 0.000 0.269 296 R C 1.004 177.243 176.300 -0.101 0.000 1.048 296 R CA 0.290 56.217 56.100 -0.288 0.000 1.173 296 R CB 0.217 30.012 30.300 -0.842 0.000 1.070 296 R HN 0.830 nan 8.270 nan 0.000 0.498 297 H N 0.712 119.638 119.070 -0.240 0.000 2.555 297 H HA 0.259 4.815 4.556 -0.000 0.000 0.283 297 H C -0.717 174.540 175.328 -0.118 0.000 1.037 297 H CA -0.004 55.934 56.048 -0.184 0.000 1.169 297 H CB -0.207 29.354 29.762 -0.336 0.000 1.375 297 H HN 0.226 nan 8.280 nan 0.000 0.582 298 K N 1.159 121.401 120.400 -0.264 0.000 2.604 298 K HA 0.712 5.032 4.320 -0.000 0.000 0.247 298 K C -1.229 175.413 176.600 0.070 0.000 0.956 298 K CA -0.515 55.681 56.287 -0.151 0.000 0.896 298 K CB 2.281 34.660 32.500 -0.202 0.000 1.131 298 K HN 0.302 nan 8.250 nan 0.000 0.440 299 A N 2.487 125.349 122.820 0.071 0.000 2.594 299 A HA 0.301 4.621 4.320 -0.000 0.000 0.296 299 A C -1.548 176.111 177.584 0.124 0.000 1.061 299 A CA -0.928 51.212 52.037 0.173 0.000 0.689 299 A CB 1.197 20.395 19.000 0.330 0.000 1.280 299 A HN 0.765 nan 8.150 nan 0.000 0.406 300 N N 1.469 120.237 118.700 0.114 0.000 2.448 300 N HA 0.401 5.141 4.740 -0.000 0.000 0.250 300 N C -0.222 175.392 175.510 0.172 0.000 1.136 300 N CA -0.182 52.921 53.050 0.090 0.000 0.953 300 N CB -0.090 38.413 38.487 0.026 0.000 1.251 300 N HN 0.522 nan 8.380 nan 0.000 0.502 301 L N 2.724 124.032 121.223 0.142 0.000 2.912 301 L HA 0.158 4.498 4.340 -0.000 0.000 0.240 301 L C 1.258 178.199 176.870 0.118 0.000 1.262 301 L CA -0.293 54.633 54.840 0.142 0.000 1.058 301 L CB -0.133 41.970 42.059 0.073 0.000 1.383 301 L HN 0.580 nan 8.230 nan 0.000 0.512 302 S N -1.883 113.883 115.700 0.111 0.000 2.710 302 S HA 0.142 4.611 4.470 -0.000 0.000 0.224 302 S C 1.266 175.928 174.600 0.103 0.000 0.948 302 S CA 0.313 58.570 58.200 0.094 0.000 0.949 302 S CB 0.250 63.489 63.200 0.065 0.000 0.778 302 S HN 0.444 nan 8.310 nan 0.000 0.498 303 G N 0.574 109.453 108.800 0.131 0.000 3.430 303 G HA2 0.291 4.251 3.960 -0.000 0.000 0.222 303 G HA3 0.291 4.251 3.960 -0.000 0.000 0.222 303 G C 0.106 175.095 174.900 0.148 0.000 1.102 303 G CA 0.213 45.394 45.100 0.135 0.000 0.927 303 G HN 0.621 nan 8.290 nan 0.000 0.597 304 V N 1.566 121.562 119.914 0.136 0.000 2.599 304 V HA 0.310 4.430 4.120 -0.000 0.000 0.300 304 V C 0.287 176.431 176.094 0.084 0.000 1.034 304 V CA -0.832 61.508 62.300 0.067 0.000 1.115 304 V CB 0.517 32.317 31.823 -0.038 0.000 0.934 304 V HN 0.111 nan 8.190 nan 0.000 0.485 305 I N 5.231 125.827 120.570 0.042 0.000 2.301 305 I HA 0.341 4.511 4.170 -0.000 0.000 0.292 305 I C 0.059 176.098 176.117 -0.130 0.000 1.046 305 I CA -0.461 60.875 61.300 0.060 0.000 1.282 305 I CB 0.545 38.581 38.000 0.060 0.000 1.409 305 I HN 0.509 nan 8.210 nan 0.000 0.484 306 L N 7.434 128.422 121.223 -0.391 0.000 2.421 306 L HA 0.475 4.815 4.340 -0.000 0.000 0.263 306 L C 0.289 176.999 176.870 -0.267 0.000 1.122 306 L CA 0.194 54.704 54.840 -0.550 0.000 0.804 306 L CB 0.510 41.897 42.059 -1.119 0.000 1.150 306 L HN 0.552 nan 8.230 nan 0.000 0.457 307 N N -0.202 118.362 118.700 -0.226 0.000 2.494 307 N HA 0.356 5.096 4.740 -0.000 0.000 0.270 307 N C -0.984 174.442 175.510 -0.140 0.000 1.285 307 N CA -0.400 52.573 53.050 -0.128 0.000 0.812 307 N CB 1.397 39.824 38.487 -0.100 0.000 1.557 307 N HN 0.540 nan 8.380 nan 0.000 0.487 308 E N 1.069 121.214 120.200 -0.091 0.000 2.568 308 E HA 0.108 4.457 4.350 -0.000 0.000 0.262 308 E C -2.242 174.284 176.600 -0.123 0.000 0.961 308 E CA -0.685 55.661 56.400 -0.091 0.000 0.945 308 E CB -0.965 28.702 29.700 -0.055 0.000 0.924 308 E HN 0.241 nan 8.360 nan 0.000 0.467 309 P HA 0.173 nan 4.420 nan 0.000 0.275 309 P C -0.722 176.510 177.300 -0.114 0.000 1.227 309 P CA -0.108 62.880 63.100 -0.186 0.000 0.781 309 P CB 1.047 32.602 31.700 -0.242 0.000 0.906 310 D N 2.390 122.733 120.400 -0.096 0.000 2.233 310 D HA -0.016 4.624 4.640 -0.000 0.000 0.281 310 D C 1.134 177.426 176.300 -0.012 0.000 1.175 310 D CA 0.031 54.006 54.000 -0.041 0.000 1.034 310 D CB -0.499 40.287 40.800 -0.023 0.000 1.133 310 D HN 0.315 nan 8.370 nan 0.000 0.519 311 N N -1.122 117.589 118.700 0.018 0.000 2.250 311 N HA -0.029 4.711 4.740 -0.000 0.000 0.190 311 N C 0.129 175.688 175.510 0.082 0.000 1.116 311 N CA -0.013 53.062 53.050 0.042 0.000 0.881 311 N CB -0.498 38.006 38.487 0.029 0.000 1.006 311 N HN 0.400 nan 8.380 nan 0.000 0.491 312 S N 0.898 116.653 115.700 0.092 0.000 2.643 312 S HA -0.059 4.411 4.470 -0.000 0.000 0.310 312 S C 0.238 174.944 174.600 0.177 0.000 1.253 312 S CA -0.225 58.049 58.200 0.123 0.000 1.047 312 S CB -0.060 63.228 63.200 0.146 0.000 0.767 312 S HN 0.298 nan 8.310 nan 0.000 0.498 313 S N 5.628 121.365 115.700 0.062 0.000 2.580 313 S HA 0.399 4.869 4.470 -0.000 0.000 0.274 313 S C -2.090 172.366 174.600 -0.242 0.000 1.329 313 S CA -0.882 57.301 58.200 -0.029 0.000 1.036 313 S CB 0.474 63.642 63.200 -0.054 0.000 0.919 313 S HN 0.714 nan 8.310 nan 0.000 0.515 314 P HA 0.120 nan 4.420 nan 0.000 0.269 314 P C -2.433 174.245 177.300 -1.036 0.000 1.205 314 P CA -0.787 61.431 63.100 -1.469 0.000 0.780 314 P CB -0.550 30.391 31.700 -1.265 0.000 0.858 315 P HA -0.035 nan 4.420 nan 0.000 0.267 315 P C 0.005 177.111 177.300 -0.323 0.000 1.201 315 P CA 0.408 63.172 63.100 -0.560 0.000 0.775 315 P CB 0.257 31.681 31.700 -0.459 0.000 0.854 316 S N 1.651 117.306 115.700 -0.075 0.000 3.940 316 S HA 0.259 4.728 4.470 -0.000 0.000 0.210 316 S C -0.023 174.548 174.600 -0.049 0.000 1.419 316 S CA -0.573 57.595 58.200 -0.054 0.000 0.912 316 S CB -0.992 62.188 63.200 -0.032 0.000 1.489 316 S HN 0.106 nan 8.310 nan 0.000 0.469 317 V N 3.180 123.090 119.914 -0.007 0.000 3.170 317 V HA 0.280 4.400 4.120 -0.000 0.000 0.309 317 V C 1.608 177.695 176.094 -0.011 0.000 1.071 317 V CA 0.046 62.343 62.300 -0.005 0.000 1.063 317 V CB 1.562 33.449 31.823 0.107 0.000 1.123 317 V HN 0.818 nan 8.190 nan 0.000 0.464 318 S N 1.870 117.549 115.700 -0.035 0.000 2.326 318 S HA 0.063 4.533 4.470 -0.000 0.000 0.211 318 S C 1.132 175.714 174.600 -0.030 0.000 1.031 318 S CA 0.503 58.681 58.200 -0.035 0.000 0.985 318 S CB -0.757 62.418 63.200 -0.043 0.000 0.961 318 S HN 1.076 nan 8.310 nan 0.000 0.436 319 G N 1.016 109.795 108.800 -0.036 0.000 2.539 319 G HA2 0.517 4.477 3.960 -0.000 0.000 0.258 319 G HA3 0.517 4.477 3.960 -0.000 0.000 0.258 319 G C 0.433 175.281 174.900 -0.087 0.000 1.202 319 G CA -0.326 44.740 45.100 -0.057 0.000 0.851 319 G HN 0.622 nan 8.290 nan 0.000 0.556 320 G N -1.323 107.407 108.800 -0.116 0.000 2.529 320 G HA2 0.569 4.528 3.960 -0.000 0.000 0.277 320 G HA3 0.569 4.528 3.960 -0.000 0.000 0.277 320 G C 0.696 175.436 174.900 -0.266 0.000 1.383 320 G CA 0.415 45.413 45.100 -0.171 0.000 1.050 320 G HN 1.987 nan 8.290 nan 0.000 0.526 321 G N -1.069 107.535 108.800 -0.327 0.000 3.269 321 G HA2 0.015 3.975 3.960 -0.000 0.000 0.668 321 G HA3 0.015 3.975 3.960 -0.000 0.000 0.668 321 G C -0.098 174.393 174.900 -0.682 0.000 1.100 321 G CA 0.113 44.947 45.100 -0.443 0.000 0.940 321 G HN 1.242 nan 8.290 nan 0.000 0.438 322 N N 0.209 118.574 118.700 -0.558 0.000 2.263 322 N HA 0.703 5.443 4.740 -0.000 0.000 0.239 322 N C -0.171 174.910 175.510 -0.715 0.000 1.317 322 N CA -0.253 52.417 53.050 -0.633 0.000 0.909 322 N CB 0.501 38.848 38.487 -0.232 0.000 1.171 322 N HN 0.375 nan 8.380 nan 0.000 0.492 323 F N -0.873 119.059 119.950 -0.032 0.000 2.507 323 F HA 0.425 4.951 4.527 -0.000 0.000 0.325 323 F C 0.465 176.364 175.800 0.164 0.000 1.116 323 F CA -1.333 56.700 58.000 0.055 0.000 0.930 323 F CB 0.966 39.959 39.000 -0.012 0.000 1.146 323 F HN 0.409 nan 8.300 nan 0.000 0.447 324 I N -0.036 120.727 120.570 0.323 0.000 2.886 324 I HA 0.641 4.811 4.170 -0.000 0.000 0.299 324 I C -0.366 175.943 176.117 0.320 0.000 1.044 324 I CA -0.871 60.584 61.300 0.258 0.000 1.310 324 I CB 1.317 39.405 38.000 0.147 0.000 1.441 324 I HN 0.638 nan 8.210 nan 0.000 0.578 325 R N 4.183 124.759 120.500 0.127 0.000 2.295 325 R HA 0.413 4.753 4.340 -0.000 0.000 0.324 325 R C -0.900 175.331 176.300 -0.114 0.000 0.968 325 R CA -0.608 55.416 56.100 -0.127 0.000 0.837 325 R CB 1.214 31.310 30.300 -0.340 0.000 1.133 325 R HN 0.763 nan 8.270 nan 0.000 0.450 326 L N 6.842 127.983 121.223 -0.136 0.000 2.512 326 L HA 0.287 4.627 4.340 -0.000 0.000 0.247 326 L C 0.500 177.255 176.870 -0.192 0.000 1.204 326 L CA 1.136 55.908 54.840 -0.113 0.000 1.153 326 L CB -0.514 41.503 42.059 -0.071 0.000 1.415 326 L HN 1.072 nan 8.230 nan 0.000 0.406 327 G N 3.738 112.422 108.800 -0.195 0.000 3.274 327 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.313 327 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.313 327 G C 0.700 175.410 174.900 -0.316 0.000 1.295 327 G CA 0.626 45.583 45.100 -0.239 0.000 1.004 327 G HN 0.511 nan 8.290 nan 0.000 0.614 328 D N 0.847 121.039 120.400 -0.347 0.000 2.392 328 D HA 0.273 4.912 4.640 -0.000 0.000 0.206 328 D C 1.116 177.136 176.300 -0.467 0.000 1.046 328 D CA 0.003 53.775 54.000 -0.380 0.000 0.865 328 D CB 0.115 40.729 40.800 -0.310 0.000 0.969 328 D HN 0.481 nan 8.370 nan 0.000 0.509 329 I N 0.714 121.039 120.570 -0.409 0.000 2.353 329 I HA 0.232 4.402 4.170 -0.000 0.000 0.293 329 I C -0.213 175.716 176.117 -0.314 0.000 0.992 329 I CA -0.825 60.268 61.300 -0.344 0.000 1.268 329 I CB 1.196 39.044 38.000 -0.253 0.000 1.387 329 I HN -0.131 nan 8.210 nan 0.000 0.478 330 W N 6.777 127.992 121.300 -0.142 0.000 2.272 330 W HA 0.533 5.193 4.660 -0.000 0.000 0.318 330 W C -0.548 175.951 176.519 -0.032 0.000 1.255 330 W CA -0.374 56.911 57.345 -0.100 0.000 1.200 330 W CB 0.723 30.068 29.460 -0.192 0.000 1.170 330 W HN 0.218 nan 8.180 nan 0.000 0.549 331 L N 2.860 124.314 121.223 0.385 0.000 2.436 331 L HA 0.292 4.632 4.340 -0.000 0.000 0.268 331 L C 0.080 177.173 176.870 0.372 0.000 0.974 331 L CA -0.871 54.139 54.840 0.284 0.000 0.826 331 L CB 1.971 44.137 42.059 0.179 0.000 1.291 331 L HN 0.457 nan 8.230 nan 0.000 0.406 335 L N 0.070 120.988 121.223 -0.510 0.000 2.217 335 L HA 0.289 4.629 4.340 -0.000 0.000 0.211 335 L C 0.247 176.902 176.870 -0.359 0.000 1.107 335 L CA 1.595 56.212 54.840 -0.371 0.000 0.783 335 L CB -0.115 41.792 42.059 -0.253 0.000 0.919 335 L HN 0.425 nan 8.230 nan 0.000 0.442 336 L N -0.751 120.211 121.223 -0.434 0.000 2.639 336 L HA 0.152 4.492 4.340 -0.000 0.000 0.264 336 L C -1.512 175.181 176.870 -0.295 0.000 0.948 336 L CA -0.321 54.352 54.840 -0.277 0.000 0.912 336 L CB 1.271 43.237 42.059 -0.155 0.000 1.294 336 L HN 0.161 nan 8.230 nan 0.000 0.412 337 W N 4.598 125.816 121.300 -0.137 0.000 1.317 337 W HA 0.081 4.741 4.660 -0.000 0.000 0.492 337 W C 1.485 177.956 176.519 -0.080 0.000 0.581 337 W CA -0.246 57.016 57.345 -0.137 0.000 2.503 337 W CB 0.168 29.559 29.460 -0.115 0.000 1.157 337 W HN 0.533 nan 8.180 nan 0.000 0.299 338 T N -3.384 111.218 114.554 0.080 0.000 2.734 338 T HA -0.091 4.259 4.350 -0.000 0.000 0.314 338 T C 1.320 176.088 174.700 0.113 0.000 1.057 338 T CA -0.117 62.026 62.100 0.071 0.000 1.047 338 T CB 1.250 70.128 68.868 0.017 0.000 0.991 338 T HN 0.491 nan 8.240 nan 0.000 0.540 339 E N 1.109 121.359 120.200 0.084 0.000 2.049 339 E HA -0.287 4.063 4.350 -0.000 0.000 0.198 339 E C 1.980 178.633 176.600 0.087 0.000 1.007 339 E CA 1.820 58.269 56.400 0.081 0.000 0.809 339 E CB -0.326 29.404 29.700 0.051 0.000 0.749 339 E HN 0.778 nan 8.360 nan 0.000 0.450 340 N N -0.145 118.597 118.700 0.070 0.000 2.091 340 N HA -0.232 4.507 4.740 -0.000 0.000 0.193 340 N C 1.897 177.489 175.510 0.136 0.000 1.021 340 N CA 1.066 54.164 53.050 0.080 0.000 0.862 340 N CB -0.205 38.320 38.487 0.064 0.000 1.018 340 N HN 0.232 nan 8.380 nan 0.000 0.429 341 A N 0.670 123.565 122.820 0.125 0.000 1.969 341 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 341 A C 2.391 180.198 177.584 0.373 0.000 1.169 341 A CA 0.995 53.114 52.037 0.138 0.000 0.635 341 A CB -0.509 18.402 19.000 -0.148 0.000 0.810 341 A HN 0.107 nan 8.150 nan 0.000 0.445 342 V N 0.499 120.628 119.914 0.358 0.000 2.307 342 V HA -0.248 3.872 4.120 -0.000 0.000 0.245 342 V C 2.406 178.672 176.094 0.287 0.000 1.045 342 V CA 2.218 64.724 62.300 0.343 0.000 1.024 342 V CB -0.721 31.212 31.823 0.182 0.000 0.651 342 V HN 0.681 nan 8.190 nan 0.000 0.449 343 D N 0.785 121.299 120.400 0.190 0.000 2.104 343 D HA -0.158 4.482 4.640 -0.000 0.000 0.194 343 D C 2.040 178.450 176.300 0.182 0.000 0.994 343 D CA 1.799 55.860 54.000 0.101 0.000 0.830 343 D CB -0.113 40.673 40.800 -0.024 0.000 0.959 343 D HN 0.469 nan 8.370 nan 0.000 0.452 344 G N -1.698 107.268 108.800 0.277 0.000 2.744 344 G HA2 -0.077 3.882 3.960 -0.000 0.000 0.211 344 G HA3 -0.077 3.882 3.960 -0.000 0.000 0.211 344 G C 1.031 176.185 174.900 0.422 0.000 1.143 344 G CA -0.016 45.268 45.100 0.307 0.000 0.788 344 G HN 0.223 nan 8.290 nan 0.000 0.534 345 F N -0.759 119.385 119.950 0.323 0.000 2.557 345 F HA 0.383 4.909 4.527 -0.000 0.000 0.278 345 F C 2.112 178.091 175.800 0.299 0.000 1.051 345 F CA 0.281 58.516 58.000 0.392 0.000 1.357 345 F CB 0.283 39.538 39.000 0.424 0.000 1.104 345 F HN -0.015 nan 8.300 nan 0.000 0.654 346 L N -1.493 119.977 121.223 0.412 0.000 2.609 346 L HA 0.206 4.546 4.340 -0.000 0.000 0.230 346 L C 0.490 177.545 176.870 0.309 0.000 1.064 346 L CA 0.117 55.130 54.840 0.290 0.000 0.873 346 L CB -0.153 42.018 42.059 0.187 0.000 1.139 346 L HN -0.114 nan 8.230 nan 0.000 0.490 347 N N 1.112 119.954 118.700 0.237 0.000 2.739 347 N HA -0.021 4.719 4.740 -0.000 0.000 0.266 347 N C 1.030 176.638 175.510 0.164 0.000 1.168 347 N CA 0.042 53.187 53.050 0.158 0.000 1.055 347 N CB 0.285 38.828 38.487 0.092 0.000 1.393 347 N HN 0.331 nan 8.380 nan 0.000 0.514 348 H N 1.284 120.382 119.070 0.046 0.000 2.436 348 H HA 0.074 4.630 4.556 -0.000 0.000 0.294 348 H C 0.866 176.122 175.328 -0.119 0.000 1.048 348 H CA 0.513 56.548 56.048 -0.023 0.000 1.353 348 H CB 0.130 29.878 29.762 -0.024 0.000 1.414 348 H HN 0.445 nan 8.280 nan 0.000 0.536 349 E N 0.442 120.383 120.200 -0.431 0.000 2.070 349 E HA -0.248 4.102 4.350 -0.000 0.000 0.197 349 E C 2.324 178.699 176.600 -0.375 0.000 1.004 349 E CA 1.529 57.684 56.400 -0.408 0.000 0.805 349 E CB -0.170 29.399 29.700 -0.218 0.000 0.744 349 E HN 0.535 nan 8.360 nan 0.000 0.451 350 H N 0.913 119.880 119.070 -0.172 0.000 2.307 350 H HA 0.035 4.591 4.556 -0.000 0.000 0.303 350 H C 0.674 175.942 175.328 -0.100 0.000 1.073 350 H CA 0.968 56.993 56.048 -0.039 0.000 1.338 350 H CB 0.110 29.901 29.762 0.048 0.000 1.389 350 H HN -0.011 nan 8.280 nan 0.000 0.503 351 N N 1.974 120.790 118.700 0.193 0.000 3.111 351 N HA -0.051 4.689 4.740 -0.000 0.000 0.302 351 N C -0.475 175.006 175.510 -0.047 0.000 1.317 351 N CA 0.090 53.216 53.050 0.126 0.000 1.151 351 N CB -1.071 37.510 38.487 0.157 0.000 1.456 351 N HN 0.424 nan 8.380 nan 0.000 0.547 352 N N 0.521 119.119 118.700 -0.169 0.000 2.705 352 N HA -0.220 4.520 4.740 -0.000 0.000 0.255 352 N C 0.191 175.624 175.510 -0.127 0.000 1.008 352 N CA 0.538 53.483 53.050 -0.175 0.000 0.742 352 N CB -0.762 37.651 38.487 -0.122 0.000 0.906 352 N HN 0.603 nan 8.380 nan 0.000 0.541 353 G N 0.357 109.076 108.800 -0.134 0.000 2.370 353 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.293 353 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.293 353 G C -0.283 174.617 174.900 0.000 0.000 0.992 353 G CA 0.940 46.014 45.100 -0.045 0.000 1.247 353 G HN 0.549 nan 8.290 nan 0.000 0.505 354 K N -0.197 120.226 120.400 0.039 0.000 2.616 354 K HA 0.609 4.929 4.320 -0.000 0.000 0.255 354 K C -0.293 176.309 176.600 0.003 0.000 0.995 354 K CA 0.067 56.345 56.287 -0.015 0.000 0.860 354 K CB 1.617 34.091 32.500 -0.044 0.000 1.264 354 K HN 1.102 nan 8.250 nan 0.000 0.451 355 S N 1.622 117.289 115.700 -0.054 0.000 2.645 355 S HA 0.222 4.691 4.470 -0.000 0.000 0.268 355 S C 0.237 174.804 174.600 -0.055 0.000 1.110 355 S CA -0.982 57.203 58.200 -0.026 0.000 0.823 355 S CB 0.357 63.624 63.200 0.111 0.000 1.091 355 S HN 0.531 nan 8.310 nan 0.000 0.466 356 I N 0.946 121.546 120.570 0.051 0.000 2.315 356 I HA 0.060 4.230 4.170 -0.000 0.000 0.248 356 I C 0.796 176.920 176.117 0.011 0.000 1.117 356 I CA 0.698 62.046 61.300 0.080 0.000 1.404 356 I CB -0.275 37.874 38.000 0.249 0.000 1.071 356 I HN 0.578 nan 8.210 nan 0.000 0.419 360 I N 3.403 123.978 120.570 0.008 0.000 2.775 360 I HA 0.202 4.372 4.170 -0.000 0.000 0.290 360 I C 1.111 177.256 176.117 0.047 0.000 1.203 360 I CA 1.255 62.572 61.300 0.028 0.000 1.433 360 I CB 0.296 38.304 38.000 0.013 0.000 1.354 360 I HN 0.667 nan 8.210 nan 0.000 0.579 361 D N 1.902 122.367 120.400 0.107 0.000 2.458 361 D HA -0.193 4.447 4.640 -0.000 0.000 0.173 361 D C 1.370 177.724 176.300 0.091 0.000 0.913 361 D CA 1.382 55.472 54.000 0.150 0.000 0.996 361 D CB -0.991 39.905 40.800 0.161 0.000 1.052 361 D HN 0.644 nan 8.370 nan 0.000 0.478 362 S N -0.289 115.451 115.700 0.067 0.000 2.501 362 S HA 0.198 4.668 4.470 -0.000 0.000 0.220 362 S C 1.242 175.890 174.600 0.080 0.000 0.997 362 S CA -0.242 57.994 58.200 0.061 0.000 0.919 362 S CB -0.241 62.988 63.200 0.050 0.000 0.778 362 S HN 0.411 nan 8.310 nan 0.000 0.523 363 L N 2.633 123.915 121.223 0.099 0.000 2.628 363 L HA 0.098 4.437 4.340 -0.000 0.000 0.292 363 L C -2.268 174.682 176.870 0.132 0.000 1.250 363 L CA -1.177 53.751 54.840 0.147 0.000 0.892 363 L CB -0.530 41.633 42.059 0.173 0.000 1.138 363 L HN 0.064 nan 8.230 nan 0.000 0.502 364 P HA -0.042 nan 4.420 nan 0.000 0.264 364 P C -0.204 177.081 177.300 -0.026 0.000 1.179 364 P CA 0.043 63.156 63.100 0.022 0.000 0.763 364 P CB 0.424 32.098 31.700 -0.044 0.000 0.806 365 D N 2.261 122.630 120.400 -0.052 0.000 2.309 365 D HA -0.188 4.452 4.640 -0.000 0.000 0.212 365 D C 1.565 177.802 176.300 -0.105 0.000 0.968 365 D CA 1.146 55.110 54.000 -0.059 0.000 0.882 365 D CB -0.398 40.367 40.800 -0.057 0.000 0.918 365 D HN 0.563 nan 8.370 nan 0.000 0.503 366 K N 0.112 120.386 120.400 -0.211 0.000 2.280 366 K HA -0.170 4.150 4.320 -0.000 0.000 0.202 366 K C 0.330 176.764 176.600 -0.277 0.000 1.047 366 K CA 0.858 56.965 56.287 -0.300 0.000 0.942 366 K CB -0.333 31.893 32.500 -0.456 0.000 0.739 366 K HN 0.175 nan 8.250 nan 0.000 0.457 367 Y N 2.086 122.373 120.300 -0.021 0.000 2.882 367 Y HA 0.272 4.821 4.550 -0.000 0.000 0.361 367 Y C 1.391 177.278 175.900 -0.022 0.000 1.058 367 Y CA -0.960 57.128 58.100 -0.021 0.000 1.575 367 Y CB 0.188 38.637 38.460 -0.019 0.000 1.383 367 Y HN 0.058 nan 8.280 nan 0.000 0.515 368 S N 0.267 116.005 115.700 0.062 0.000 2.353 368 S HA -0.329 4.141 4.470 -0.000 0.000 0.222 368 S C 2.474 177.089 174.600 0.026 0.000 1.035 368 S CA 1.950 60.152 58.200 0.004 0.000 1.025 368 S CB -0.252 62.920 63.200 -0.047 0.000 0.902 368 S HN 0.736 nan 8.310 nan 0.000 0.440 369 Q N 1.784 121.608 119.800 0.039 0.000 2.084 369 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 369 Q C 1.892 177.921 176.000 0.048 0.000 0.978 369 Q CA 1.645 57.470 55.803 0.036 0.000 0.844 369 Q CB -1.008 27.747 28.738 0.029 0.000 0.898 369 Q HN 0.807 nan 8.270 nan 0.000 0.426 370 E N 1.029 121.261 120.200 0.054 0.000 2.051 370 E HA -0.205 4.144 4.350 -0.000 0.000 0.192 370 E C 1.930 178.563 176.600 0.054 0.000 0.991 370 E CA 1.374 57.789 56.400 0.025 0.000 0.799 370 E CB -0.385 29.302 29.700 -0.021 0.000 0.748 370 E HN 0.711 nan 8.360 nan 0.000 0.449 371 K N 0.799 121.260 120.400 0.102 0.000 2.044 371 K HA -0.114 4.206 4.320 -0.000 0.000 0.210 371 K C 2.287 179.036 176.600 0.248 0.000 1.049 371 K CA 1.733 58.131 56.287 0.185 0.000 0.927 371 K CB -0.265 32.381 32.500 0.244 0.000 0.713 371 K HN 0.008 nan 8.250 nan 0.000 0.443 372 V N 1.482 121.518 119.914 0.202 0.000 2.970 372 V HA -0.154 3.966 4.120 -0.000 0.000 0.260 372 V C 2.182 178.350 176.094 0.123 0.000 1.100 372 V CA 1.327 63.756 62.300 0.214 0.000 1.122 372 V CB -0.363 31.530 31.823 0.116 0.000 0.721 372 V HN 0.300 nan 8.190 nan 0.000 0.483 373 Q N 0.131 119.977 119.800 0.078 0.000 2.165 373 Q HA 0.220 4.560 4.340 -0.000 0.000 0.197 373 Q C 1.543 177.561 176.000 0.030 0.000 0.952 373 Q CA 1.013 56.840 55.803 0.041 0.000 0.848 373 Q CB -0.155 28.594 28.738 0.018 0.000 0.931 373 Q HN 0.631 nan 8.270 nan 0.000 0.470 377 D N 1.611 121.992 120.400 -0.032 0.000 2.178 377 D HA -0.065 4.574 4.640 -0.000 0.000 0.202 377 D C 1.966 178.241 176.300 -0.041 0.000 0.974 377 D CA 0.668 54.656 54.000 -0.020 0.000 0.841 377 D CB 0.227 41.042 40.800 0.024 0.000 0.953 377 D HN 0.148 nan 8.370 nan 0.000 0.478 378 L N 0.779 121.971 121.223 -0.053 0.000 1.994 378 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 378 L C 2.688 179.411 176.870 -0.244 0.000 1.071 378 L CA 1.294 56.093 54.840 -0.068 0.000 0.745 378 L CB -0.503 41.527 42.059 -0.049 0.000 0.892 378 L HN -0.037 nan 8.230 nan 0.000 0.431 379 V N -0.639 119.057 119.914 -0.362 0.000 2.282 379 V HA -0.361 3.759 4.120 -0.000 0.000 0.249 379 V C 2.558 178.313 176.094 -0.566 0.000 1.057 379 V CA 2.519 64.409 62.300 -0.683 0.000 1.032 379 V CB -0.678 30.820 31.823 -0.541 0.000 0.645 379 V HN 0.302 nan 8.190 nan 0.000 0.447 380 K N 0.110 120.339 120.400 -0.286 0.000 2.015 380 K HA -0.235 4.085 4.320 -0.000 0.000 0.216 380 K C 2.616 179.127 176.600 -0.148 0.000 1.052 380 K CA 1.982 58.166 56.287 -0.172 0.000 0.937 380 K CB -0.559 31.892 32.500 -0.081 0.000 0.719 380 K HN 0.680 nan 8.250 nan 0.000 0.446 381 S N 1.107 116.751 115.700 -0.093 0.000 2.351 381 S HA -0.146 4.324 4.470 -0.000 0.000 0.220 381 S C 2.179 176.779 174.600 0.001 0.000 1.035 381 S CA 1.237 59.451 58.200 0.024 0.000 1.031 381 S CB -0.355 62.932 63.200 0.145 0.000 0.928 381 S HN 0.279 nan 8.310 nan 0.000 0.433 382 L N 1.258 122.339 121.223 -0.238 0.000 2.043 382 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 382 L C 2.953 179.657 176.870 -0.276 0.000 1.075 382 L CA 1.946 56.486 54.840 -0.500 0.000 0.752 382 L CB -0.543 41.041 42.059 -0.792 0.000 0.891 382 L HN 0.453 nan 8.230 nan 0.000 0.432 383 R N 0.358 120.659 120.500 -0.332 0.000 2.080 383 R HA -0.097 4.242 4.340 -0.000 0.000 0.236 383 R C 1.263 177.576 176.300 0.021 0.000 1.137 383 R CA 1.182 57.240 56.100 -0.070 0.000 0.943 383 R CB -0.557 29.683 30.300 -0.101 0.000 0.846 383 R HN 0.328 nan 8.270 nan 0.000 0.431 384 G N -1.167 107.629 108.800 -0.006 0.000 2.716 384 G HA2 0.297 4.257 3.960 -0.000 0.000 0.251 384 G HA3 0.297 4.257 3.960 -0.000 0.000 0.251 384 G C 0.065 175.007 174.900 0.070 0.000 1.224 384 G CA -0.108 45.012 45.100 0.033 0.000 0.891 384 G HN 0.643 nan 8.290 nan 0.000 0.561 385 G N -1.655 107.192 108.800 0.078 0.000 2.372 385 G HA2 0.195 4.155 3.960 -0.000 0.000 0.290 385 G HA3 0.195 4.155 3.960 -0.000 0.000 0.290 385 G C 0.627 175.583 174.900 0.093 0.000 0.965 385 G CA 1.051 46.213 45.100 0.104 0.000 1.263 385 G HN 1.623 nan 8.290 nan 0.000 0.498 386 R N 0.149 120.690 120.500 0.068 0.000 2.500 386 R HA 0.461 4.801 4.340 -0.000 0.000 0.281 386 R C 0.550 176.886 176.300 0.059 0.000 0.953 386 R CA 0.997 57.136 56.100 0.066 0.000 1.108 386 R CB 0.116 30.449 30.300 0.055 0.000 0.901 386 R HN 0.912 nan 8.270 nan 0.000 0.410 387 L N 2.928 124.185 121.223 0.056 0.000 2.341 387 L HA 0.428 4.768 4.340 -0.000 0.000 0.278 387 L C 1.145 178.034 176.870 0.032 0.000 1.005 387 L CA -1.020 53.845 54.840 0.043 0.000 0.818 387 L CB 2.232 44.307 42.059 0.027 0.000 1.259 387 L HN 0.997 nan 8.230 nan 0.000 0.418 388 T N -1.550 113.021 114.554 0.028 0.000 2.855 388 T HA 0.052 4.402 4.350 -0.000 0.000 0.322 388 T C 1.300 176.009 174.700 0.016 0.000 1.088 388 T CA 0.258 62.370 62.100 0.020 0.000 1.104 388 T CB 0.912 69.793 68.868 0.020 0.000 0.996 388 T HN 0.789 nan 8.240 nan 0.000 0.549 389 E N 0.855 121.063 120.200 0.012 0.000 2.267 389 E HA 0.046 4.396 4.350 -0.000 0.000 0.197 389 E C 2.219 178.840 176.600 0.034 0.000 0.998 389 E CA 1.541 57.951 56.400 0.016 0.000 0.830 389 E CB -0.927 28.785 29.700 0.019 0.000 0.751 389 E HN 0.989 nan 8.360 nan 0.000 0.491 390 A N -0.749 122.087 122.820 0.026 0.000 2.044 390 A HA 0.140 4.460 4.320 -0.000 0.000 0.213 390 A C 2.371 179.968 177.584 0.023 0.000 1.169 390 A CA 0.856 52.906 52.037 0.021 0.000 0.724 390 A CB -0.785 18.221 19.000 0.010 0.000 0.840 390 A HN 0.689 nan 8.150 nan 0.000 0.463 391 C N -0.563 118.753 119.300 0.026 0.000 2.419 391 C HA 0.037 4.496 4.460 -0.000 0.000 0.283 391 C C 1.976 176.986 174.990 0.033 0.000 1.373 391 C CA 1.382 60.420 59.018 0.033 0.000 1.781 391 C CB -0.743 27.021 27.740 0.039 0.000 1.886 391 C HN 0.600 nan 8.230 nan 0.000 0.520 392 I N -0.178 120.410 120.570 0.029 0.000 4.139 392 I HA 0.154 4.324 4.170 -0.000 0.000 0.335 392 I C 2.311 178.457 176.117 0.049 0.000 1.327 392 I CA 0.245 61.563 61.300 0.030 0.000 1.112 392 I CB -0.931 37.080 38.000 0.018 0.000 1.058 392 I HN 0.322 nan 8.210 nan 0.000 0.396 393 R N 2.483 123.015 120.500 0.052 0.000 2.096 393 R HA -0.113 4.227 4.340 -0.000 0.000 0.240 393 R C -0.930 175.414 176.300 0.074 0.000 1.139 393 R CA 2.176 58.319 56.100 0.073 0.000 0.952 393 R CB -1.161 29.153 30.300 0.024 0.000 0.854 393 R HN 0.228 nan 8.270 nan 0.000 0.436 394 P HA -0.038 nan 4.420 nan 0.000 0.239 394 P C 0.445 177.793 177.300 0.080 0.000 1.184 394 P CA 0.733 63.866 63.100 0.056 0.000 0.760 394 P CB 0.362 32.085 31.700 0.039 0.000 0.884 395 V N -1.533 118.434 119.914 0.087 0.000 3.382 395 V HA 0.065 4.185 4.120 -0.000 0.000 0.296 395 V C 1.638 177.785 176.094 0.089 0.000 1.529 395 V CA 0.286 62.637 62.300 0.085 0.000 1.048 395 V CB -0.056 31.814 31.823 0.079 0.000 0.878 395 V HN -0.041 nan 8.190 nan 0.000 0.442 396 E N 0.980 121.250 120.200 0.117 0.000 2.049 396 E HA -0.216 4.134 4.350 -0.000 0.000 0.198 396 E C 2.385 178.989 176.600 0.007 0.000 1.007 396 E CA 1.905 58.368 56.400 0.105 0.000 0.809 396 E CB -0.303 29.543 29.700 0.243 0.000 0.749 396 E HN 0.710 nan 8.360 nan 0.000 0.450 397 S N 1.194 116.975 115.700 0.136 0.000 2.359 397 S HA -0.253 4.217 4.470 -0.000 0.000 0.222 397 S C 2.244 176.818 174.600 -0.043 0.000 1.038 397 S CA 2.121 60.332 58.200 0.019 0.000 1.051 397 S CB -0.750 62.659 63.200 0.349 0.000 0.944 397 S HN 0.077 nan 8.310 nan 0.000 0.433 398 S N 1.072 116.782 115.700 0.017 0.000 2.387 398 S HA -0.049 4.421 4.470 -0.000 0.000 0.230 398 S C 1.877 176.591 174.600 0.190 0.000 1.035 398 S CA 1.321 59.514 58.200 -0.010 0.000 1.014 398 S CB -0.443 62.691 63.200 -0.110 0.000 0.836 398 S HN 0.516 nan 8.310 nan 0.000 0.466 399 L N 0.497 121.775 121.223 0.091 0.000 1.976 399 L HA -0.063 4.277 4.340 -0.000 0.000 0.209 399 L C 2.429 179.293 176.870 -0.009 0.000 1.071 399 L CA 1.071 55.955 54.840 0.075 0.000 0.746 399 L CB -0.626 41.486 42.059 0.087 0.000 0.890 399 L HN 0.181 nan 8.230 nan 0.000 0.432 400 V N -0.063 119.768 119.914 -0.139 0.000 2.688 400 V HA -0.245 3.875 4.120 -0.000 0.000 0.256 400 V C 2.513 178.502 176.094 -0.175 0.000 1.084 400 V CA 1.922 64.082 62.300 -0.235 0.000 1.103 400 V CB -0.208 31.250 31.823 -0.608 0.000 0.688 400 V HN 0.678 nan 8.190 nan 0.000 0.480 401 S N -2.212 113.406 115.700 -0.137 0.000 2.607 401 S HA 0.023 4.493 4.470 -0.000 0.000 0.224 401 S C 1.279 175.748 174.600 -0.218 0.000 0.969 401 S CA 1.105 59.224 58.200 -0.135 0.000 0.927 401 S CB 0.826 64.027 63.200 0.002 0.000 0.772 401 S HN 0.350 nan 8.310 nan 0.000 0.533 402 V N -0.093 119.714 119.914 -0.179 0.000 3.141 402 V HA 0.319 4.439 4.120 -0.000 0.000 0.225 402 V C 1.668 177.678 176.094 -0.139 0.000 1.352 402 V CA 0.256 62.426 62.300 -0.216 0.000 1.316 402 V CB -0.005 31.720 31.823 -0.163 0.000 1.126 402 V HN 0.402 nan 8.190 nan 0.000 0.493 403 L N 0.714 121.890 121.223 -0.079 0.000 2.509 403 L HA 0.305 4.645 4.340 -0.000 0.000 0.222 403 L C 1.732 178.708 176.870 0.176 0.000 1.123 403 L CA 0.889 55.733 54.840 0.006 0.000 0.856 403 L CB -0.233 41.820 42.059 -0.010 0.000 0.985 403 L HN 0.294 nan 8.230 nan 0.000 0.456 404 A N -0.890 122.061 122.820 0.219 0.000 2.734 404 A HA 0.242 4.562 4.320 -0.000 0.000 0.279 404 A C -0.542 177.292 177.584 0.417 0.000 1.386 404 A CA -0.066 52.124 52.037 0.254 0.000 0.987 404 A CB -0.872 18.206 19.000 0.130 0.000 1.041 404 A HN 0.287 nan 8.150 nan 0.000 0.569 405 H N -1.119 118.010 119.070 0.098 0.000 2.768 405 H HA 0.374 4.929 4.556 -0.000 0.000 0.371 405 H C -2.052 173.299 175.328 0.037 0.000 1.151 405 H CA -1.897 54.190 56.048 0.064 0.000 1.165 405 H CB 1.394 31.200 29.762 0.074 0.000 1.722 405 H HN -0.069 nan 8.280 nan 0.000 0.543 406 P HA -0.089 nan 4.420 nan 0.000 0.221 406 P C -1.556 175.700 177.300 -0.073 0.000 1.145 406 P CA 1.026 64.123 63.100 -0.005 0.000 0.795 406 P CB -0.607 31.075 31.700 -0.030 0.000 0.775 407 P HA -0.120 nan 4.420 nan 0.000 0.219 407 P C 0.929 177.918 177.300 -0.519 0.000 1.146 407 P CA 1.496 64.325 63.100 -0.453 0.000 0.808 407 P CB -0.450 30.779 31.700 -0.785 0.000 0.779 408 Y N -3.824 116.507 120.300 0.052 0.000 2.527 408 Y HA 0.219 4.768 4.550 -0.000 0.000 0.247 408 Y C 2.109 178.038 175.900 0.049 0.000 1.138 408 Y CA -0.003 58.124 58.100 0.046 0.000 1.228 408 Y CB -0.259 38.228 38.460 0.046 0.000 1.252 408 Y HN -0.197 nan 8.280 nan 0.000 0.531 409 T N 0.604 115.242 114.554 0.141 0.000 3.113 409 T HA -0.080 4.269 4.350 -0.000 0.000 0.256 409 T C 1.793 176.536 174.700 0.071 0.000 1.131 409 T CA 0.980 63.143 62.100 0.105 0.000 1.074 409 T CB 0.047 68.956 68.868 0.068 0.000 0.944 409 T HN 0.412 nan 8.240 nan 0.000 0.516 410 Q N 0.122 119.958 119.800 0.060 0.000 2.384 410 Q HA 0.202 4.542 4.340 -0.000 0.000 0.207 410 Q C 1.152 177.183 176.000 0.053 0.000 0.904 410 Q CA 0.113 55.942 55.803 0.043 0.000 0.933 410 Q CB -0.416 28.336 28.738 0.024 0.000 1.077 410 Q HN 0.368 nan 8.270 nan 0.000 0.522 411 S N 1.004 116.749 115.700 0.074 0.000 2.560 411 S HA 0.317 4.786 4.470 -0.000 0.000 0.323 411 S C 1.258 175.900 174.600 0.071 0.000 1.191 411 S CA 0.385 58.630 58.200 0.074 0.000 1.231 411 S CB 0.312 63.569 63.200 0.095 0.000 1.224 411 S HN 0.409 nan 8.310 nan 0.000 0.545 412 A N 6.921 129.774 122.820 0.055 0.000 1.927 412 A HA -0.118 4.202 4.320 -0.000 0.000 0.220 412 A C 2.165 179.789 177.584 0.066 0.000 1.185 412 A CA 1.566 53.635 52.037 0.053 0.000 0.639 412 A CB -0.754 18.271 19.000 0.041 0.000 0.820 412 A HN 0.807 nan 8.150 nan 0.000 0.451 413 L N 0.228 121.488 121.223 0.061 0.000 1.956 413 L HA -0.230 4.110 4.340 -0.000 0.000 0.216 413 L C 2.534 179.467 176.870 0.105 0.000 1.073 413 L CA 3.109 57.988 54.840 0.064 0.000 0.762 413 L CB -1.000 41.081 42.059 0.036 0.000 0.889 413 L HN 0.647 nan 8.230 nan 0.000 0.433 414 I N -2.842 117.792 120.570 0.107 0.000 2.406 414 I HA -0.076 4.094 4.170 -0.000 0.000 0.249 414 I C 2.267 178.524 176.117 0.233 0.000 1.122 414 I CA 1.401 62.802 61.300 0.168 0.000 1.431 414 I CB -0.765 37.304 38.000 0.115 0.000 1.087 414 I HN 0.028 nan 8.210 nan 0.000 0.424 415 S N 0.679 116.469 115.700 0.151 0.000 2.453 415 S HA -0.021 4.449 4.470 -0.000 0.000 0.231 415 S C 2.117 176.771 174.600 0.090 0.000 1.005 415 S CA 1.202 59.470 58.200 0.114 0.000 0.949 415 S CB -0.598 62.651 63.200 0.082 0.000 0.774 415 S HN 0.786 nan 8.310 nan 0.000 0.510 416 E N 0.487 120.751 120.200 0.108 0.000 2.112 416 E HA -0.115 4.235 4.350 -0.000 0.000 0.190 416 E C 1.482 178.147 176.600 0.108 0.000 0.979 416 E CA 1.042 57.494 56.400 0.087 0.000 0.814 416 E CB -1.035 28.717 29.700 0.087 0.000 0.762 416 E HN 0.808 nan 8.360 nan 0.000 0.460 417 W N 0.246 121.541 121.300 -0.008 0.000 2.407 417 W HA 0.049 4.709 4.660 -0.000 0.000 0.305 417 W C 2.086 178.592 176.519 -0.023 0.000 1.196 417 W CA 1.447 58.780 57.345 -0.019 0.000 1.311 417 W CB -0.192 29.252 29.460 -0.028 0.000 1.135 417 W HN 0.270 nan 8.180 nan 0.000 0.514 418 L N 1.012 122.305 121.223 0.116 0.000 2.141 418 L HA 0.074 4.413 4.340 -0.000 0.000 0.209 418 L C 2.368 179.112 176.870 -0.211 0.000 1.094 418 L CA 2.165 56.931 54.840 -0.123 0.000 0.763 418 L CB -1.255 40.882 42.059 0.131 0.000 0.908 418 L HN 0.135 nan 8.230 nan 0.000 0.437 419 G N 0.614 109.345 108.800 -0.115 0.000 2.812 419 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.218 419 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.218 419 G C -0.585 174.231 174.900 -0.141 0.000 1.287 419 G CA 1.272 46.313 45.100 -0.098 0.000 0.796 419 G HN 0.367 nan 8.290 nan 0.000 0.649 420 P HA -0.125 nan 4.420 nan 0.000 0.218 420 P C 2.196 179.385 177.300 -0.185 0.000 1.154 420 P CA 1.587 64.584 63.100 -0.171 0.000 0.872 420 P CB -0.283 31.290 31.700 -0.212 0.000 0.790 421 V N -0.309 119.430 119.914 -0.291 0.000 2.287 421 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 421 V C 2.684 178.726 176.094 -0.086 0.000 1.053 421 V CA 2.026 64.178 62.300 -0.246 0.000 1.027 421 V CB -1.236 30.334 31.823 -0.422 0.000 0.646 421 V HN 0.212 nan 8.190 nan 0.000 0.447 422 Q N -0.451 119.303 119.800 -0.077 0.000 2.170 422 Q HA -0.247 4.093 4.340 -0.000 0.000 0.203 422 Q C 2.188 178.248 176.000 0.100 0.000 0.976 422 Q CA 1.770 57.591 55.803 0.029 0.000 0.858 422 Q CB -0.017 28.709 28.738 -0.021 0.000 0.907 422 Q HN 0.739 nan 8.270 nan 0.000 0.433 423 E N -0.288 119.921 120.200 0.016 0.000 2.106 423 E HA -0.147 4.202 4.350 -0.000 0.000 0.192 423 E C 2.133 178.733 176.600 -0.000 0.000 0.984 423 E CA 0.582 57.005 56.400 0.038 0.000 0.806 423 E CB 0.059 29.752 29.700 -0.012 0.000 0.750 423 E HN 0.285 nan 8.360 nan 0.000 0.458 424 R N 0.176 120.630 120.500 -0.077 0.000 2.062 424 R HA -0.097 4.243 4.340 -0.000 0.000 0.229 424 R C 2.330 178.428 176.300 -0.336 0.000 1.128 424 R CA 1.141 57.079 56.100 -0.270 0.000 0.960 424 R CB -0.487 29.712 30.300 -0.170 0.000 0.855 424 R HN 0.162 nan 8.270 nan 0.000 0.432 425 F N 1.301 121.170 119.950 -0.135 0.000 2.115 425 F HA -0.313 4.214 4.527 -0.000 0.000 0.300 425 F C 2.000 177.804 175.800 0.007 0.000 1.092 425 F CA 1.499 59.504 58.000 0.007 0.000 1.245 425 F CB -0.470 38.557 39.000 0.045 0.000 0.995 425 F HN -0.040 nan 8.300 nan 0.000 0.481 426 F N 1.092 120.892 119.950 -0.250 0.000 2.084 426 F HA -0.049 4.478 4.527 -0.000 0.000 0.296 426 F C 2.420 177.974 175.800 -0.410 0.000 1.111 426 F CA 1.574 59.339 58.000 -0.391 0.000 1.224 426 F CB -1.358 37.489 39.000 -0.254 0.000 0.991 426 F HN 0.042 nan 8.300 nan 0.000 0.471 427 A N 0.204 122.717 122.820 -0.511 0.000 1.892 427 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 427 A C 2.197 179.530 177.584 -0.418 0.000 1.188 427 A CA 2.175 53.878 52.037 -0.556 0.000 0.631 427 A CB -1.424 17.337 19.000 -0.399 0.000 0.822 427 A HN 0.635 nan 8.150 nan 0.000 0.447 428 H N -0.952 117.964 119.070 -0.257 0.000 2.290 428 H HA -0.151 4.405 4.556 -0.000 0.000 0.298 428 H C 2.244 177.424 175.328 -0.245 0.000 1.087 428 H CA 2.010 57.934 56.048 -0.206 0.000 1.291 428 H CB -0.711 28.973 29.762 -0.131 0.000 1.369 428 H HN 0.522 nan 8.280 nan 0.000 0.492 429 Q N 0.095 119.762 119.800 -0.223 0.000 2.135 429 Q HA -0.107 4.233 4.340 -0.000 0.000 0.204 429 Q C 2.716 178.606 176.000 -0.182 0.000 0.981 429 Q CA 1.359 57.053 55.803 -0.182 0.000 0.856 429 Q CB -0.570 27.975 28.738 -0.322 0.000 0.902 429 Q HN 0.407 nan 8.270 nan 0.000 0.425 430 C N -0.240 118.810 119.300 -0.416 0.000 2.436 430 C HA -0.166 4.294 4.460 -0.000 0.000 0.277 430 C C 2.526 177.450 174.990 -0.110 0.000 1.241 430 C CA 0.863 59.655 59.018 -0.376 0.000 1.721 430 C CB -0.912 26.281 27.740 -0.911 0.000 2.043 430 C HN 0.581 nan 8.230 nan 0.000 0.472 431 Q N -0.063 119.658 119.800 -0.131 0.000 2.135 431 Q HA -0.173 4.167 4.340 -0.000 0.000 0.204 431 Q C 2.159 178.108 176.000 -0.086 0.000 0.981 431 Q CA 2.368 58.137 55.803 -0.058 0.000 0.856 431 Q CB -0.146 28.573 28.738 -0.031 0.000 0.902 431 Q HN 0.720 nan 8.270 nan 0.000 0.425 432 T N -1.578 112.893 114.554 -0.138 0.000 2.953 432 T HA 0.002 4.352 4.350 -0.000 0.000 0.247 432 T C 0.842 175.338 174.700 -0.339 0.000 1.029 432 T CA 0.747 62.669 62.100 -0.296 0.000 1.144 432 T CB -0.080 68.516 68.868 -0.453 0.000 0.870 432 T HN 0.268 nan 8.240 nan 0.000 0.446 433 Y N 0.842 121.113 120.300 -0.048 0.000 2.507 433 Y HA 0.370 4.920 4.550 -0.000 0.000 0.254 433 Y C 2.091 177.978 175.900 -0.022 0.000 1.171 433 Y CA -0.690 57.387 58.100 -0.038 0.000 1.238 433 Y CB -0.039 38.402 38.460 -0.032 0.000 1.148 433 Y HN 0.208 nan 8.280 nan 0.000 0.525 434 N N 0.446 119.216 118.700 0.116 0.000 2.120 434 N HA -0.172 4.568 4.740 -0.000 0.000 0.188 434 N C 0.471 176.006 175.510 0.041 0.000 1.024 434 N CA 1.541 54.658 53.050 0.111 0.000 0.852 434 N CB 0.161 38.742 38.487 0.157 0.000 1.003 434 N HN 0.128 nan 8.380 nan 0.000 0.424 435 D N -0.140 120.264 120.400 0.006 0.000 2.424 435 D HA 0.198 4.838 4.640 -0.000 0.000 0.220 435 D C -1.009 175.264 176.300 -0.045 0.000 1.150 435 D CA 0.147 54.128 54.000 -0.031 0.000 0.831 435 D CB 1.002 41.781 40.800 -0.035 0.000 0.981 435 D HN -0.038 nan 8.370 nan 0.000 0.500 436 V N 1.729 121.642 119.914 -0.001 0.000 2.851 436 V HA 0.296 4.416 4.120 -0.000 0.000 0.307 436 V C -2.492 173.694 176.094 0.153 0.000 1.129 436 V CA -1.870 60.454 62.300 0.039 0.000 0.932 436 V CB 3.082 34.901 31.823 -0.007 0.000 1.024 436 V HN -0.140 nan 8.190 nan 0.000 0.426 437 P HA 0.163 nan 4.420 nan 0.000 0.267 437 P C -0.807 176.513 177.300 0.034 0.000 1.209 437 P CA -0.110 63.008 63.100 0.030 0.000 0.763 437 P CB 0.667 32.368 31.700 0.002 0.000 0.816 438 L N 6.836 127.933 121.223 -0.210 0.000 2.360 438 L HA 0.268 4.607 4.340 -0.000 0.000 0.276 438 L C -1.359 175.330 176.870 -0.303 0.000 1.121 438 L CA -1.278 53.220 54.840 -0.571 0.000 0.845 438 L CB -0.713 40.978 42.059 -0.613 0.000 1.143 438 L HN 0.323 nan 8.230 nan 0.000 0.452 439 P HA 0.014 nan 4.420 nan 0.000 0.270 439 P C -0.666 176.552 177.300 -0.136 0.000 1.227 439 P CA -0.567 62.455 63.100 -0.130 0.000 0.788 439 P CB 0.446 32.090 31.700 -0.094 0.000 0.926 440 A N 3.082 125.881 122.820 -0.035 0.000 2.515 440 A HA 0.141 4.461 4.320 -0.000 0.000 0.276 440 A C -1.704 175.879 177.584 -0.002 0.000 1.104 440 A CA -0.523 51.525 52.037 0.017 0.000 0.822 440 A CB -1.859 17.174 19.000 0.055 0.000 1.016 440 A HN 0.380 nan 8.150 nan 0.000 0.530 441 P HA 0.155 nan 4.420 nan 0.000 0.266 441 P C -0.468 176.911 177.300 0.132 0.000 1.193 441 P CA 0.193 63.350 63.100 0.094 0.000 0.770 441 P CB 0.622 32.412 31.700 0.151 0.000 0.836 442 D N -1.174 119.336 120.400 0.183 0.000 2.467 442 D HA 0.180 4.820 4.640 -0.000 0.000 0.245 442 D C 0.998 177.410 176.300 0.186 0.000 1.038 442 D CA -0.666 53.434 54.000 0.165 0.000 1.038 442 D CB -0.511 40.380 40.800 0.152 0.000 1.278 442 D HN 0.322 nan 8.370 nan 0.000 0.564 443 T N -1.861 112.783 114.554 0.150 0.000 2.653 443 T HA -0.387 3.963 4.350 -0.000 0.000 0.267 443 T C 1.748 176.549 174.700 0.169 0.000 1.037 443 T CA 1.851 64.031 62.100 0.133 0.000 1.159 443 T CB -1.205 67.733 68.868 0.117 0.000 0.859 443 T HN 0.529 nan 8.240 nan 0.000 0.449 444 Y N 0.701 121.062 120.300 0.101 0.000 2.089 444 Y HA -0.174 4.376 4.550 -0.000 0.000 0.282 444 Y C 2.577 178.581 175.900 0.173 0.000 1.139 444 Y CA 1.530 59.703 58.100 0.121 0.000 1.123 444 Y CB -0.610 37.918 38.460 0.114 0.000 0.980 444 Y HN 0.166 nan 8.280 nan 0.000 0.493 445 Y N 1.360 121.710 120.300 0.083 0.000 2.224 445 Y HA -0.256 4.294 4.550 -0.000 0.000 0.289 445 Y C 2.425 178.293 175.900 -0.052 0.000 1.146 445 Y CA 1.980 60.076 58.100 -0.006 0.000 1.182 445 Y CB -0.509 37.981 38.460 0.050 0.000 0.983 445 Y HN 0.344 nan 8.280 nan 0.000 0.524 446 Q N -0.881 118.942 119.800 0.038 0.000 2.083 446 Q HA -0.202 4.138 4.340 -0.000 0.000 0.198 446 Q C 2.191 178.155 176.000 -0.060 0.000 0.969 446 Q CA 1.605 57.391 55.803 -0.028 0.000 0.838 446 Q CB -0.108 28.649 28.738 0.032 0.000 0.900 446 Q HN 0.579 nan 8.270 nan 0.000 0.436 447 Q N -0.157 119.616 119.800 -0.044 0.000 2.062 447 Q HA -0.038 4.302 4.340 -0.000 0.000 0.196 447 Q C 1.948 177.946 176.000 -0.004 0.000 0.967 447 Q CA 0.976 56.765 55.803 -0.023 0.000 0.832 447 Q CB 0.245 28.980 28.738 -0.005 0.000 0.899 447 Q HN 0.208 nan 8.270 nan 0.000 0.442 448 R N -0.745 119.675 120.500 -0.133 0.000 2.121 448 R HA 0.181 4.520 4.340 -0.000 0.000 0.206 448 R C 1.986 178.232 176.300 -0.090 0.000 1.094 448 R CA 0.453 56.475 56.100 -0.130 0.000 1.055 448 R CB 0.196 30.231 30.300 -0.442 0.000 0.964 448 R HN 0.121 nan 8.270 nan 0.000 0.473 449 I N 0.353 120.775 120.570 -0.246 0.000 2.364 449 I HA -0.148 4.022 4.170 -0.000 0.000 0.241 449 I C 1.928 177.909 176.117 -0.227 0.000 1.082 449 I CA 0.343 61.517 61.300 -0.210 0.000 1.401 449 I CB -0.141 37.729 38.000 -0.215 0.000 1.126 449 I HN -0.002 nan 8.210 nan 0.000 0.429 450 L N 1.805 122.784 121.223 -0.407 0.000 2.058 450 L HA -0.221 4.119 4.340 -0.000 0.000 0.226 450 L C -0.636 176.149 176.870 -0.142 0.000 1.089 450 L CA 2.643 57.294 54.840 -0.315 0.000 0.799 450 L CB -1.937 39.969 42.059 -0.254 0.000 0.900 450 L HN 0.149 nan 8.230 nan 0.000 0.442 451 P HA -0.039 nan 4.420 nan 0.000 0.234 451 P C 1.759 179.001 177.300 -0.097 0.000 1.167 451 P CA 0.572 63.604 63.100 -0.114 0.000 0.763 451 P CB 0.097 31.693 31.700 -0.173 0.000 0.835 452 V N -0.509 119.378 119.914 -0.045 0.000 2.331 452 V HA -0.165 3.955 4.120 -0.000 0.000 0.242 452 V C 2.360 178.469 176.094 0.025 0.000 1.034 452 V CA 1.259 63.559 62.300 0.000 0.000 1.027 452 V CB -1.313 30.534 31.823 0.040 0.000 0.667 452 V HN 0.033 nan 8.190 nan 0.000 0.457 453 L N -0.218 121.058 121.223 0.088 0.000 2.151 453 L HA -0.243 4.097 4.340 -0.000 0.000 0.215 453 L C 2.495 179.401 176.870 0.060 0.000 1.084 453 L CA 1.125 55.989 54.840 0.041 0.000 0.764 453 L CB -0.684 41.433 42.059 0.097 0.000 0.891 453 L HN 0.304 nan 8.230 nan 0.000 0.435 454 L N -0.233 121.036 121.223 0.078 0.000 2.005 454 L HA -0.226 4.114 4.340 -0.000 0.000 0.207 454 L C 2.451 179.366 176.870 0.074 0.000 1.072 454 L CA 2.087 56.997 54.840 0.118 0.000 0.744 454 L CB -1.315 40.759 42.059 0.025 0.000 0.895 454 L HN 0.474 nan 8.230 nan 0.000 0.433 455 D N -1.021 119.364 120.400 -0.025 0.000 2.183 455 D HA -0.131 4.509 4.640 -0.000 0.000 0.203 455 D C 1.882 178.102 176.300 -0.134 0.000 0.969 455 D CA 1.027 54.995 54.000 -0.055 0.000 0.842 455 D CB 0.565 41.323 40.800 -0.070 0.000 0.957 455 D HN 0.168 nan 8.370 nan 0.000 0.484 456 S N -0.377 115.149 115.700 -0.289 0.000 2.355 456 S HA -0.060 4.410 4.470 -0.000 0.000 0.222 456 S C 1.794 175.943 174.600 -0.751 0.000 1.031 456 S CA 0.534 58.337 58.200 -0.662 0.000 0.993 456 S CB -0.541 61.990 63.200 -1.116 0.000 0.859 456 S HN 0.343 nan 8.310 nan 0.000 0.453 457 F N 1.524 121.171 119.950 -0.505 0.000 2.250 457 F HA -0.185 4.342 4.527 -0.000 0.000 0.301 457 F C 2.353 178.120 175.800 -0.055 0.000 1.077 457 F CA 1.024 58.935 58.000 -0.148 0.000 1.348 457 F CB -0.085 39.014 39.000 0.165 0.000 1.040 457 F HN 0.204 nan 8.300 nan 0.000 0.509 458 D N -0.045 120.424 120.400 0.115 0.000 2.137 458 D HA -0.086 4.554 4.640 -0.000 0.000 0.202 458 D C 2.094 178.416 176.300 0.036 0.000 0.970 458 D CA 1.035 55.088 54.000 0.089 0.000 0.837 458 D CB -0.026 40.814 40.800 0.066 0.000 0.981 458 D HN 0.046 nan 8.370 nan 0.000 0.475 459 R N -0.337 120.146 120.500 -0.029 0.000 2.285 459 R HA 0.039 4.379 4.340 -0.000 0.000 0.213 459 R C 0.423 176.718 176.300 -0.008 0.000 1.068 459 R CA 0.487 56.568 56.100 -0.032 0.000 1.004 459 R CB -0.048 30.207 30.300 -0.074 0.000 0.873 459 R HN 0.035 nan 8.270 nan 0.000 0.467 460 N N -0.036 118.669 118.700 0.009 0.000 2.726 460 N HA 0.080 4.820 4.740 -0.000 0.000 0.253 460 N C -0.466 175.144 175.510 0.166 0.000 1.530 460 N CA -0.025 53.075 53.050 0.083 0.000 0.772 460 N CB 1.102 39.651 38.487 0.104 0.000 1.220 460 N HN -0.116 nan 8.380 nan 0.000 0.508 461 S N 0.111 115.893 115.700 0.137 0.000 2.423 461 S HA -0.090 4.380 4.470 -0.000 0.000 0.231 461 S C 2.047 176.749 174.600 0.169 0.000 1.014 461 S CA 1.053 59.340 58.200 0.145 0.000 0.965 461 S CB 0.139 63.407 63.200 0.113 0.000 0.785 461 S HN 0.618 nan 8.310 nan 0.000 0.495 462 A N 2.116 125.041 122.820 0.176 0.000 1.902 462 A HA 0.280 4.600 4.320 -0.000 0.000 0.217 462 A C 1.540 179.254 177.584 0.218 0.000 1.181 462 A CA 1.153 53.302 52.037 0.186 0.000 0.623 462 A CB -1.094 18.001 19.000 0.159 0.000 0.818 462 A HN 0.569 nan 8.150 nan 0.000 0.443 466 T N 0.240 114.873 114.554 0.132 0.000 2.946 466 T HA -0.030 4.319 4.350 -0.000 0.000 0.271 466 T C 0.713 175.336 174.700 -0.128 0.000 1.104 466 T CA 1.740 63.870 62.100 0.051 0.000 1.114 466 T CB -0.653 68.299 68.868 0.139 0.000 0.867 466 T HN 0.760 nan 8.240 nan 0.000 0.513 467 H N -0.076 119.079 119.070 0.141 0.000 2.716 467 H HA 0.522 5.078 4.556 -0.000 0.000 0.230 467 H C 1.298 176.728 175.328 0.170 0.000 1.401 467 H CA -0.337 55.802 56.048 0.152 0.000 1.168 467 H CB 0.592 30.470 29.762 0.193 0.000 1.935 467 H HN 0.160 nan 8.280 nan 0.000 0.538 468 S N -0.012 115.807 115.700 0.198 0.000 2.380 468 S HA -0.253 4.217 4.470 -0.000 0.000 0.229 468 S C 2.586 177.276 174.600 0.150 0.000 1.043 468 S CA 1.523 59.841 58.200 0.197 0.000 1.038 468 S CB -0.414 62.928 63.200 0.235 0.000 0.872 468 S HN 0.782 nan 8.310 nan 0.000 0.456 469 G N 1.556 110.431 108.800 0.124 0.000 2.513 469 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.219 469 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.219 469 G C 1.325 176.279 174.900 0.090 0.000 1.160 469 G CA 1.031 46.180 45.100 0.082 0.000 0.767 469 G HN 0.439 nan 8.290 nan 0.000 0.571 470 L N -1.110 120.230 121.223 0.195 0.000 2.095 470 L HA 0.183 4.523 4.340 -0.000 0.000 0.204 470 L C 2.591 179.607 176.870 0.242 0.000 1.080 470 L CA 0.836 55.833 54.840 0.260 0.000 0.759 470 L CB -0.267 42.019 42.059 0.379 0.000 0.914 470 L HN 0.309 nan 8.230 nan 0.000 0.439 471 F N 1.352 121.277 119.950 -0.041 0.000 2.154 471 F HA -0.314 4.213 4.527 -0.000 0.000 0.301 471 F C 1.941 177.505 175.800 -0.394 0.000 1.087 471 F CA 2.139 59.799 58.000 -0.566 0.000 1.274 471 F CB -0.043 38.425 39.000 -0.887 0.000 1.009 471 F HN 0.218 nan 8.300 nan 0.000 0.485 472 N N -0.278 118.246 118.700 -0.294 0.000 2.396 472 N HA -0.132 4.608 4.740 -0.000 0.000 0.180 472 N C 1.683 176.953 175.510 -0.401 0.000 1.028 472 N CA 0.794 53.582 53.050 -0.436 0.000 0.893 472 N CB -0.188 38.132 38.487 -0.279 0.000 0.967 472 N HN 0.375 nan 8.380 nan 0.000 0.440 473 Q N 0.273 119.965 119.800 -0.179 0.000 1.990 473 Q HA -0.047 4.293 4.340 -0.000 0.000 0.200 473 Q C 2.130 178.153 176.000 0.037 0.000 0.980 473 Q CA 1.209 56.985 55.803 -0.045 0.000 0.832 473 Q CB -0.585 28.165 28.738 0.021 0.000 0.897 473 Q HN 0.252 nan 8.270 nan 0.000 0.427 474 V N 1.900 121.802 119.914 -0.020 0.000 2.255 474 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 474 V C 2.449 178.460 176.094 -0.139 0.000 1.051 474 V CA 1.436 63.721 62.300 -0.026 0.000 1.018 474 V CB -0.728 31.115 31.823 0.033 0.000 0.641 474 V HN 0.277 nan 8.190 nan 0.000 0.445 475 I N 0.768 121.120 120.570 -0.363 0.000 2.248 475 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 475 I C 2.442 178.436 176.117 -0.205 0.000 1.107 475 I CA 1.995 63.046 61.300 -0.415 0.000 1.373 475 I CB -1.307 36.284 38.000 -0.681 0.000 1.055 475 I HN 0.471 nan 8.210 nan 0.000 0.418 476 L N -0.592 120.505 121.223 -0.210 0.000 2.131 476 L HA -0.032 4.307 4.340 -0.000 0.000 0.206 476 L C 2.253 178.987 176.870 -0.227 0.000 1.087 476 L CA 1.639 56.401 54.840 -0.131 0.000 0.767 476 L CB -1.654 40.227 42.059 -0.298 0.000 0.917 476 L HN 0.108 nan 8.230 nan 0.000 0.441 477 H N -1.103 117.901 119.070 -0.110 0.000 2.546 477 H HA 0.156 4.712 4.556 -0.000 0.000 0.277 477 H C 1.012 176.275 175.328 -0.108 0.000 1.004 477 H CA 0.417 56.418 56.048 -0.078 0.000 1.231 477 H CB -0.303 29.430 29.762 -0.048 0.000 1.382 477 H HN 0.386 nan 8.280 nan 0.000 0.580 481 G N 1.226 110.008 108.800 -0.030 0.000 2.390 481 G HA2 0.509 4.469 3.960 -0.000 0.000 0.270 481 G HA3 0.509 4.469 3.960 -0.000 0.000 0.270 481 G C 0.978 175.880 174.900 0.004 0.000 1.211 481 G CA -0.032 45.079 45.100 0.018 0.000 0.842 481 G HN 0.209 nan 8.290 nan 0.000 0.519 482 V N 2.290 122.217 119.914 0.022 0.000 2.223 482 V HA -0.141 3.979 4.120 -0.000 0.000 0.244 482 V C 2.046 178.147 176.094 0.012 0.000 1.045 482 V CA 1.923 64.233 62.300 0.016 0.000 1.000 482 V CB -0.323 31.516 31.823 0.027 0.000 0.635 482 V HN 0.652 nan 8.190 nan 0.000 0.445 483 D N -1.270 119.144 120.400 0.023 0.000 2.336 483 D HA -0.016 4.624 4.640 -0.000 0.000 0.229 483 D C 1.799 178.103 176.300 0.007 0.000 1.061 483 D CA 0.484 54.496 54.000 0.020 0.000 0.875 483 D CB -0.151 40.671 40.800 0.036 0.000 0.904 483 D HN 0.433 nan 8.370 nan 0.000 0.525 484 C N 0.617 119.914 119.300 -0.004 0.000 2.541 484 C HA -0.130 4.330 4.460 -0.000 0.000 0.282 484 C C 1.638 176.608 174.990 -0.034 0.000 1.263 484 C CA 1.503 60.506 59.018 -0.025 0.000 1.709 484 C CB -0.684 27.034 27.740 -0.038 0.000 2.097 484 C HN 0.506 nan 8.230 nan 0.000 0.480 485 T N 0.284 114.814 114.554 -0.039 0.000 3.416 485 T HA -0.193 4.157 4.350 -0.000 0.000 0.283 485 T C 0.004 174.673 174.700 -0.051 0.000 1.423 485 T CA 1.419 63.493 62.100 -0.043 0.000 1.042 485 T CB -1.421 67.431 68.868 -0.027 0.000 0.908 485 T HN 0.736 nan 8.240 nan 0.000 0.402 486 D N -0.996 119.379 120.400 -0.041 0.000 6.122 486 D HA -0.053 4.587 4.640 -0.000 0.000 0.318 486 D C 0.935 177.206 176.300 -0.048 0.000 2.527 486 D CA 1.433 55.408 54.000 -0.042 0.000 1.441 486 D CB -1.389 39.384 40.800 -0.045 0.000 1.140 486 D HN 1.122 nan 8.370 nan 0.000 1.272 487 G N -1.012 107.761 108.800 -0.044 0.000 2.708 487 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.210 487 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.210 487 G C 1.249 176.117 174.900 -0.054 0.000 1.141 487 G CA 1.491 46.565 45.100 -0.042 0.000 0.788 487 G HN 0.460 nan 8.290 nan 0.000 0.531 488 T N 0.743 115.256 114.554 -0.068 0.000 2.746 488 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 488 T C 2.542 177.182 174.700 -0.100 0.000 1.039 488 T CA 1.101 63.152 62.100 -0.082 0.000 1.142 488 T CB -0.053 68.762 68.868 -0.087 0.000 0.866 488 T HN 0.192 nan 8.240 nan 0.000 0.444 489 R N 1.710 122.141 120.500 -0.115 0.000 2.154 489 R HA -0.175 4.165 4.340 -0.000 0.000 0.236 489 R C 2.698 178.925 176.300 -0.122 0.000 1.121 489 R CA 2.063 58.066 56.100 -0.161 0.000 0.915 489 R CB -0.729 29.486 30.300 -0.142 0.000 0.856 489 R HN 0.679 nan 8.270 nan 0.000 0.431 490 Q N -0.287 119.476 119.800 -0.063 0.000 2.224 490 Q HA -0.102 4.238 4.340 -0.000 0.000 0.203 490 Q C 1.718 177.725 176.000 0.011 0.000 0.970 490 Q CA 0.872 56.668 55.803 -0.011 0.000 0.865 490 Q CB -0.164 28.575 28.738 0.001 0.000 0.922 490 Q HN 0.025 nan 8.270 nan 0.000 0.445 491 K N 1.517 121.912 120.400 -0.009 0.000 2.002 491 K HA -0.053 4.267 4.320 -0.000 0.000 0.209 491 K C 2.089 178.709 176.600 0.034 0.000 1.048 491 K CA 1.597 57.892 56.287 0.012 0.000 0.930 491 K CB -0.540 31.953 32.500 -0.012 0.000 0.714 491 K HN 0.298 nan 8.250 nan 0.000 0.438 492 A N 0.640 123.445 122.820 -0.026 0.000 1.930 492 A HA -0.018 4.302 4.320 -0.000 0.000 0.217 492 A C 2.330 179.937 177.584 0.039 0.000 1.175 492 A CA 1.902 53.901 52.037 -0.063 0.000 0.627 492 A CB -0.558 18.328 19.000 -0.191 0.000 0.815 492 A HN 0.334 nan 8.150 nan 0.000 0.443 493 A N 0.028 122.878 122.820 0.049 0.000 1.902 493 A HA 0.139 4.459 4.320 -0.000 0.000 0.217 493 A C 2.495 180.241 177.584 0.272 0.000 1.181 493 A CA 2.168 54.329 52.037 0.207 0.000 0.623 493 A CB -0.980 18.104 19.000 0.140 0.000 0.818 493 A HN 0.969 nan 8.150 nan 0.000 0.443 494 A N -0.645 122.288 122.820 0.189 0.000 1.855 494 A HA 0.042 4.362 4.320 -0.000 0.000 0.215 494 A C 1.908 179.642 177.584 0.249 0.000 1.191 494 A CA 1.548 53.696 52.037 0.185 0.000 0.613 494 A CB -0.687 18.390 19.000 0.127 0.000 0.829 494 A HN 0.400 nan 8.150 nan 0.000 0.442 495 L N -1.528 119.864 121.223 0.282 0.000 2.447 495 L HA -0.159 4.181 4.340 -0.000 0.000 0.225 495 L C 2.174 179.433 176.870 0.648 0.000 1.148 495 L CA 1.281 56.360 54.840 0.398 0.000 0.808 495 L CB -0.803 41.522 42.059 0.443 0.000 0.928 495 L HN 0.561 nan 8.230 nan 0.000 0.448 496 Y N 0.216 120.765 120.300 0.414 0.000 2.347 496 Y HA -0.020 4.530 4.550 -0.000 0.000 0.294 496 Y C 2.543 178.646 175.900 0.338 0.000 1.117 496 Y CA 1.118 59.498 58.100 0.465 0.000 1.184 496 Y CB -0.542 38.152 38.460 0.390 0.000 1.047 496 Y HN 0.289 nan 8.280 nan 0.000 0.546 497 E N 0.426 120.807 120.200 0.302 0.000 2.118 497 E HA -0.271 4.079 4.350 -0.000 0.000 0.195 497 E C 1.877 178.557 176.600 0.133 0.000 0.992 497 E CA 1.937 58.420 56.400 0.138 0.000 0.804 497 E CB -0.880 28.895 29.700 0.124 0.000 0.741 497 E HN 0.738 nan 8.360 nan 0.000 0.458 498 Q N -2.044 117.875 119.800 0.198 0.000 2.224 498 Q HA -0.065 4.275 4.340 -0.000 0.000 0.203 498 Q C 2.050 178.171 176.000 0.201 0.000 0.970 498 Q CA 1.330 57.235 55.803 0.171 0.000 0.865 498 Q CB -0.146 28.696 28.738 0.174 0.000 0.922 498 Q HN 0.747 nan 8.270 nan 0.000 0.445 499 Y N 0.780 121.140 120.300 0.100 0.000 2.176 499 Y HA -0.143 4.407 4.550 -0.000 0.000 0.291 499 Y C 1.936 177.843 175.900 0.013 0.000 1.122 499 Y CA 0.845 58.977 58.100 0.053 0.000 1.128 499 Y CB -0.113 38.474 38.460 0.213 0.000 1.005 499 Y HN 0.002 nan 8.280 nan 0.000 0.509 500 L N -0.241 120.975 121.223 -0.011 0.000 2.043 500 L HA -0.273 4.067 4.340 -0.000 0.000 0.212 500 L C 2.417 179.233 176.870 -0.090 0.000 1.075 500 L CA 2.127 56.884 54.840 -0.139 0.000 0.752 500 L CB -1.916 40.018 42.059 -0.209 0.000 0.891 500 L HN 0.369 nan 8.230 nan 0.000 0.432 501 A N -2.254 120.549 122.820 -0.028 0.000 2.167 501 A HA -0.108 4.212 4.320 -0.000 0.000 0.214 501 A C 1.147 178.732 177.584 0.002 0.000 1.151 501 A CA 0.030 52.063 52.037 -0.007 0.000 0.735 501 A CB -0.716 18.293 19.000 0.015 0.000 0.802 501 A HN 0.398 nan 8.150 nan 0.000 0.467 502 H N 0.618 119.628 119.070 -0.101 0.000 3.001 502 H HA 0.043 4.599 4.556 -0.000 0.000 0.334 502 H C -1.729 173.545 175.328 -0.089 0.000 1.034 502 H CA -1.026 54.950 56.048 -0.120 0.000 1.420 502 H CB 1.007 30.620 29.762 -0.248 0.000 1.405 502 H HN 0.026 nan 8.280 nan 0.000 0.593 503 P HA -0.111 nan 4.420 nan 0.000 0.220 503 P C 0.659 178.044 177.300 0.141 0.000 1.144 503 P CA 1.815 64.924 63.100 0.015 0.000 0.800 503 P CB 0.185 31.838 31.700 -0.078 0.000 0.772 504 A N -1.677 121.353 122.820 0.351 0.000 2.195 504 A HA 0.105 4.425 4.320 -0.000 0.000 0.210 504 A C 1.846 179.509 177.584 0.131 0.000 1.165 504 A CA 0.759 52.891 52.037 0.159 0.000 0.806 504 A CB -0.480 18.547 19.000 0.045 0.000 0.847 504 A HN 0.067 nan 8.150 nan 0.000 0.482 505 V N -1.392 118.555 119.914 0.056 0.000 3.219 505 V HA 0.116 4.236 4.120 -0.000 0.000 0.240 505 V C 2.917 179.083 176.094 0.121 0.000 1.222 505 V CA 1.272 63.569 62.300 -0.005 0.000 1.181 505 V CB -0.482 31.119 31.823 -0.370 0.000 0.941 505 V HN 0.529 nan 8.190 nan 0.000 0.471 506 S N 1.826 117.568 115.700 0.069 0.000 2.372 506 S HA -0.200 4.270 4.470 -0.000 0.000 0.227 506 S C 0.295 174.983 174.600 0.146 0.000 1.044 506 S CA 2.453 60.690 58.200 0.063 0.000 1.050 506 S CB -1.816 61.434 63.200 0.082 0.000 0.901 506 S HN 0.491 nan 8.310 nan 0.000 0.447 507 P HA -0.007 nan 4.420 nan 0.000 0.234 507 P C 0.168 177.467 177.300 -0.002 0.000 1.167 507 P CA 0.968 64.073 63.100 0.008 0.000 0.763 507 P CB -0.278 31.332 31.700 -0.150 0.000 0.835 508 H N -3.770 115.334 119.070 0.058 0.000 3.078 508 H HA 0.312 4.868 4.556 -0.000 0.000 0.263 508 H C 0.992 176.360 175.328 0.067 0.000 1.177 508 H CA -0.558 55.530 56.048 0.066 0.000 1.128 508 H CB 0.410 30.214 29.762 0.071 0.000 1.623 508 H HN -0.010 nan 8.280 nan 0.000 0.592 509 I N 0.932 121.627 120.570 0.209 0.000 2.927 509 I HA -0.083 4.087 4.170 -0.000 0.000 0.268 509 I C 2.214 178.398 176.117 0.110 0.000 1.153 509 I CA 0.689 62.041 61.300 0.087 0.000 1.459 509 I CB -0.569 37.413 38.000 -0.030 0.000 1.149 509 I HN 0.375 nan 8.210 nan 0.000 0.443 510 H N 1.950 121.093 119.070 0.122 0.000 2.389 510 H HA -0.089 4.467 4.556 -0.000 0.000 0.299 510 H C 1.817 177.158 175.328 0.021 0.000 1.081 510 H CA 1.608 57.716 56.048 0.100 0.000 1.345 510 H CB -0.008 29.777 29.762 0.039 0.000 1.393 510 H HN 0.454 nan 8.280 nan 0.000 0.520 511 N N 0.851 119.644 118.700 0.155 0.000 2.105 511 N HA -0.071 4.669 4.740 -0.000 0.000 0.190 511 N C 1.187 176.720 175.510 0.039 0.000 1.066 511 N CA 1.350 54.431 53.050 0.051 0.000 0.861 511 N CB -0.858 37.662 38.487 0.055 0.000 1.048 511 N HN 0.147 nan 8.380 nan 0.000 0.442 512 G N 0.949 109.806 108.800 0.095 0.000 2.873 512 G HA2 0.476 4.436 3.960 -0.000 0.000 0.340 512 G HA3 0.476 4.436 3.960 -0.000 0.000 0.340 512 G C -0.195 174.819 174.900 0.189 0.000 1.171 512 G CA -0.477 44.693 45.100 0.117 0.000 1.113 512 G HN 0.354 nan 8.290 nan 0.000 0.471 513 L N 4.934 126.311 121.223 0.256 0.000 2.888 513 L HA 0.267 4.606 4.340 -0.000 0.000 0.237 513 L C 1.017 178.142 176.870 0.425 0.000 1.288 513 L CA -0.036 54.990 54.840 0.311 0.000 1.110 513 L CB -1.997 40.233 42.059 0.286 0.000 1.441 513 L HN 0.692 nan 8.230 nan 0.000 0.474 514 F N -1.414 118.573 119.950 0.061 0.000 1.448 514 F HA -0.324 4.203 4.527 -0.000 0.000 0.108 514 F C 1.432 177.255 175.800 0.038 0.000 0.130 514 F CA 0.687 58.710 58.000 0.039 0.000 0.368 514 F CB -1.555 37.458 39.000 0.022 0.000 1.324 514 F HN 0.262 nan 8.300 nan 0.000 0.641 515 G N 0.559 108.866 108.800 -0.822 0.000 3.382 515 G HA2 -0.516 3.443 3.960 -0.000 0.000 0.368 515 G HA3 -0.516 3.443 3.960 -0.000 0.000 0.368 515 G C 0.958 175.555 174.900 -0.504 0.000 1.917 515 G CA 1.968 46.547 45.100 -0.868 0.000 2.149 515 G HN 1.194 nan 8.290 nan 0.000 1.021 516 N N -1.806 116.564 118.700 -0.550 0.000 2.420 516 N HA 0.218 4.958 4.740 -0.000 0.000 0.185 516 N C 0.313 175.797 175.510 -0.044 0.000 1.033 516 N CA 0.233 53.138 53.050 -0.241 0.000 0.879 516 N CB 0.245 38.592 38.487 -0.233 0.000 1.071 516 N HN 0.600 nan 8.380 nan 0.000 0.437 517 Y N 2.290 122.486 120.300 -0.172 0.000 2.789 517 Y HA -0.225 4.325 4.550 -0.000 0.000 0.100 517 Y C -0.828 175.018 175.900 -0.090 0.000 1.859 517 Y CA -0.374 57.675 58.100 -0.083 0.000 1.160 517 Y CB -1.351 37.085 38.460 -0.039 0.000 1.799 517 Y HN 0.346 nan 8.280 nan 0.000 0.304 518 D N 4.086 124.226 120.400 -0.433 0.000 2.323 518 D HA 0.415 5.055 4.640 -0.000 0.000 0.239 518 D C 1.578 177.567 176.300 -0.518 0.000 1.129 518 D CA 0.635 54.411 54.000 -0.374 0.000 0.865 518 D CB 0.082 40.706 40.800 -0.294 0.000 0.913 518 D HN 1.056 nan 8.370 nan 0.000 0.517 519 G N 0.781 108.952 108.800 -1.047 0.000 2.556 519 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.283 519 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.283 519 G C -0.038 174.362 174.900 -0.833 0.000 1.177 519 G CA 0.425 44.871 45.100 -1.089 0.000 0.978 519 G HN 1.022 nan 8.290 nan 0.000 0.554 520 S N 0.435 115.874 115.700 -0.436 0.000 2.543 520 S HA 0.770 5.240 4.470 -0.000 0.000 0.271 520 S C -2.231 172.195 174.600 -0.290 0.000 1.148 520 S CA -0.125 57.865 58.200 -0.350 0.000 0.914 520 S CB 2.564 65.595 63.200 -0.282 0.000 1.096 520 S HN 0.837 nan 8.310 nan 0.000 0.471 521 P HA 0.644 nan 4.420 nan 0.000 0.346 521 P C -1.317 175.645 177.300 -0.563 0.000 1.325 521 P CA -0.208 62.546 63.100 -0.577 0.000 0.803 521 P CB 0.375 31.501 31.700 -0.956 0.000 1.856 522 D N -1.483 118.515 120.400 -0.671 0.000 2.336 522 D HA 0.169 4.809 4.640 -0.000 0.000 0.248 522 D C -0.587 175.519 176.300 -0.322 0.000 1.326 522 D CA -0.359 53.407 54.000 -0.389 0.000 0.973 522 D CB -0.070 40.593 40.800 -0.229 0.000 1.255 522 D HN 0.271 nan 8.370 nan 0.000 0.558 523 W N 2.222 123.488 121.300 -0.057 0.000 3.003 523 W HA 0.129 4.789 4.660 -0.000 0.000 0.257 523 W C 2.267 178.764 176.519 -0.038 0.000 1.308 523 W CA 0.586 57.896 57.345 -0.058 0.000 1.529 523 W CB 0.511 29.941 29.460 -0.049 0.000 1.115 523 W HN 0.503 nan 8.180 nan 0.000 0.659 524 T N -0.388 114.271 114.554 0.176 0.000 2.809 524 T HA -0.081 4.269 4.350 -0.000 0.000 0.260 524 T C 1.228 175.983 174.700 0.091 0.000 1.039 524 T CA 1.545 63.711 62.100 0.109 0.000 1.141 524 T CB -0.883 68.021 68.868 0.061 0.000 0.869 524 T HN -0.056 nan 8.240 nan 0.000 0.437 525 T N 0.459 115.054 114.554 0.068 0.000 2.761 525 T HA 0.483 4.832 4.350 -0.000 0.000 0.296 525 T C 0.301 175.054 174.700 0.089 0.000 0.934 525 T CA -0.673 61.466 62.100 0.065 0.000 1.091 525 T CB 1.112 70.011 68.868 0.051 0.000 0.896 525 T HN 0.288 nan 8.240 nan 0.000 0.515 526 R N 2.124 122.677 120.500 0.089 0.000 2.721 526 R HA 0.395 4.734 4.340 -0.000 0.000 0.296 526 R C 0.997 177.344 176.300 0.079 0.000 1.174 526 R CA -0.105 56.053 56.100 0.096 0.000 1.129 526 R CB -0.024 30.328 30.300 0.086 0.000 1.316 526 R HN 0.846 nan 8.270 nan 0.000 0.571 527 A N -0.458 122.413 122.820 0.084 0.000 2.653 527 A HA 0.380 4.700 4.320 -0.000 0.000 0.248 527 A C 0.468 178.114 177.584 0.102 0.000 1.211 527 A CA -0.133 51.952 52.037 0.079 0.000 0.991 527 A CB 0.721 19.777 19.000 0.094 0.000 1.252 527 A HN 0.238 nan 8.150 nan 0.000 0.593 528 A N 0.553 123.462 122.820 0.148 0.000 2.327 528 A HA 0.521 4.841 4.320 -0.000 0.000 0.283 528 A C -0.863 176.726 177.584 0.009 0.000 1.127 528 A CA -0.403 51.808 52.037 0.289 0.000 0.810 528 A CB 0.117 19.266 19.000 0.248 0.000 1.066 528 A HN 0.138 nan 8.150 nan 0.000 0.492 529 D N 1.894 122.212 120.400 -0.136 0.000 2.598 529 D HA 0.224 4.864 4.640 -0.000 0.000 0.231 529 D C 1.221 177.489 176.300 -0.054 0.000 1.127 529 D CA 1.168 55.061 54.000 -0.178 0.000 1.126 529 D CB -0.476 40.145 40.800 -0.299 0.000 1.124 529 D HN 0.714 nan 8.370 nan 0.000 0.485 530 N N 1.263 119.865 118.700 -0.163 0.000 2.236 530 N HA 0.127 4.867 4.740 -0.000 0.000 0.196 530 N C 0.057 175.373 175.510 -0.322 0.000 1.114 530 N CA -0.179 52.634 53.050 -0.395 0.000 0.859 530 N CB 0.008 38.013 38.487 -0.803 0.000 0.982 530 N HN 0.155 nan 8.380 nan 0.000 0.493 531 F N -0.481 119.535 119.950 0.109 0.000 2.551 531 F HA 0.707 5.234 4.527 -0.000 0.000 0.316 531 F C -0.279 175.624 175.800 0.171 0.000 1.089 531 F CA -1.253 56.878 58.000 0.219 0.000 0.915 531 F CB 2.425 41.525 39.000 0.168 0.000 1.186 531 F HN 0.121 nan 8.300 nan 0.000 0.456 532 L N 4.328 125.860 121.223 0.514 0.000 2.472 532 L HA 0.772 5.112 4.340 -0.000 0.000 0.260 532 L C -2.070 175.020 176.870 0.366 0.000 0.963 532 L CA -0.520 54.509 54.840 0.315 0.000 0.829 532 L CB 1.828 43.997 42.059 0.183 0.000 1.348 532 L HN 0.577 nan 8.230 nan 0.000 0.408 533 L N 4.659 126.075 121.223 0.322 0.000 2.230 533 L HA 0.982 5.322 4.340 -0.000 0.000 0.255 533 L C 0.107 177.201 176.870 0.374 0.000 1.039 533 L CA -0.183 54.898 54.840 0.402 0.000 0.846 533 L CB 1.309 43.679 42.059 0.518 0.000 1.419 533 L HN 0.647 nan 8.230 nan 0.000 0.435 534 L N -0.960 120.413 121.223 0.251 0.000 2.260 534 L HA 0.943 5.283 4.340 -0.000 0.000 0.265 534 L C 0.199 176.851 176.870 -0.363 0.000 1.015 534 L CA -0.656 54.213 54.840 0.048 0.000 0.826 534 L CB 1.595 43.679 42.059 0.041 0.000 1.373 534 L HN 0.614 nan 8.230 nan 0.000 0.450 535 S N -1.197 114.312 115.700 -0.319 0.000 2.433 535 S HA 0.424 4.894 4.470 -0.000 0.000 0.310 535 S C 1.278 175.719 174.600 -0.264 0.000 1.097 535 S CA 0.199 58.108 58.200 -0.485 0.000 1.103 535 S CB 0.838 63.896 63.200 -0.237 0.000 0.992 535 S HN 1.017 nan 8.310 nan 0.000 0.469 536 S N 4.050 119.585 115.700 -0.276 0.000 2.390 536 S HA -0.272 4.198 4.470 -0.000 0.000 0.234 536 S C 2.484 177.020 174.600 -0.106 0.000 1.063 536 S CA 2.345 60.449 58.200 -0.161 0.000 1.108 536 S CB -1.133 61.988 63.200 -0.131 0.000 0.975 536 S HN 0.969 nan 8.310 nan 0.000 0.442 537 Q N 1.111 120.859 119.800 -0.087 0.000 1.922 537 Q HA 0.037 4.377 4.340 -0.000 0.000 0.201 537 Q C 1.040 177.018 176.000 -0.036 0.000 0.979 537 Q CA 1.589 57.363 55.803 -0.049 0.000 0.841 537 Q CB -0.485 28.236 28.738 -0.029 0.000 0.903 537 Q HN 0.585 nan 8.270 nan 0.000 0.431 538 D N -1.404 118.980 120.400 -0.027 0.000 2.780 538 D HA 0.369 5.009 4.640 -0.000 0.000 0.242 538 D C 0.463 176.767 176.300 0.006 0.000 1.135 538 D CA 0.431 54.427 54.000 -0.006 0.000 0.859 538 D CB 2.083 42.888 40.800 0.009 0.000 1.530 538 D HN 0.438 nan 8.370 nan 0.000 0.493 539 S N 3.114 118.830 115.700 0.027 0.000 2.138 539 S HA -0.113 4.357 4.470 -0.000 0.000 0.186 539 S C 0.702 175.377 174.600 0.125 0.000 1.409 539 S CA 1.094 59.346 58.200 0.086 0.000 2.447 539 S CB -0.183 63.087 63.200 0.116 0.000 0.289 539 S HN 0.671 nan 8.310 nan 0.000 0.349 540 D N 0.574 121.063 120.400 0.148 0.000 2.979 540 D HA -0.151 4.488 4.640 -0.000 0.000 0.208 540 D C 0.469 176.868 176.300 0.165 0.000 1.122 540 D CA 1.995 56.051 54.000 0.093 0.000 0.992 540 D CB -1.755 39.070 40.800 0.041 0.000 1.117 540 D HN 0.915 nan 8.370 nan 0.000 0.397 541 T N -3.439 111.250 114.554 0.224 0.000 2.906 541 T HA 0.862 5.212 4.350 -0.000 0.000 0.295 541 T C -0.384 174.511 174.700 0.326 0.000 1.075 541 T CA -0.118 62.138 62.100 0.259 0.000 1.005 541 T CB 3.041 72.043 68.868 0.223 0.000 1.136 541 T HN 0.347 nan 8.240 nan 0.000 0.498 546 S N -0.822 114.891 115.700 0.022 0.000 2.206 546 S HA 0.805 5.275 4.470 -0.000 0.000 0.233 546 S C 0.403 175.143 174.600 0.233 0.000 1.255 546 S CA 0.208 58.442 58.200 0.056 0.000 1.010 546 S CB 0.178 63.376 63.200 -0.004 0.000 0.970 546 S HN 1.129 nan 8.310 nan 0.000 0.437 547 T N -3.102 111.566 114.554 0.191 0.000 2.883 547 T HA 0.563 4.913 4.350 -0.000 0.000 0.284 547 T C 0.014 174.778 174.700 0.106 0.000 1.041 547 T CA 0.248 62.478 62.100 0.216 0.000 1.007 547 T CB 1.131 70.148 68.868 0.249 0.000 1.220 547 T HN 0.561 nan 8.240 nan 0.000 0.552 548 D N -0.986 119.458 120.400 0.074 0.000 2.531 548 D HA -0.260 4.380 4.640 -0.000 0.000 0.176 548 D C 1.297 177.614 176.300 0.027 0.000 1.217 548 D CA 3.238 57.261 54.000 0.038 0.000 1.125 548 D CB -1.441 39.378 40.800 0.031 0.000 1.148 548 D HN 0.925 nan 8.370 nan 0.000 0.430 549 T N -1.959 112.621 114.554 0.042 0.000 2.818 549 T HA 0.044 4.394 4.350 -0.000 0.000 0.246 549 T C 1.949 176.693 174.700 0.074 0.000 1.036 549 T CA 0.773 62.893 62.100 0.032 0.000 1.160 549 T CB -0.640 68.235 68.868 0.012 0.000 0.869 549 T HN 0.217 nan 8.240 nan 0.000 0.419 550 L N 1.198 122.480 121.223 0.100 0.000 2.962 550 L HA 0.317 4.657 4.340 -0.000 0.000 0.263 550 L C 0.448 177.344 176.870 0.043 0.000 1.152 550 L CA 0.864 55.770 54.840 0.110 0.000 0.954 550 L CB -0.719 41.371 42.059 0.052 0.000 1.213 550 L HN 0.500 nan 8.230 nan 0.000 0.422 551 L N -1.370 119.885 121.223 0.052 0.000 3.759 551 L HA 0.104 4.444 4.340 -0.000 0.000 0.355 551 L C -0.077 176.811 176.870 0.030 0.000 1.271 551 L CA -0.043 54.807 54.840 0.017 0.000 1.142 551 L CB 0.904 42.960 42.059 -0.006 0.000 1.474 551 L HN 0.244 nan 8.230 nan 0.000 0.624 555 N N -0.694 118.077 118.700 0.119 0.000 2.635 555 N HA 0.219 4.959 4.740 -0.000 0.000 0.252 555 N C -2.710 172.860 175.510 0.100 0.000 1.589 555 N CA -0.873 52.236 53.050 0.100 0.000 0.828 555 N CB 0.322 38.856 38.487 0.078 0.000 1.403 555 N HN -0.117 nan 8.380 nan 0.000 0.518 556 P HA -0.064 nan 4.420 nan 0.000 0.246 556 P C 0.608 177.931 177.300 0.037 0.000 1.092 556 P CA 1.311 64.479 63.100 0.113 0.000 0.795 556 P CB -0.398 31.508 31.700 0.343 0.000 0.700 557 T N 4.442 118.972 114.554 -0.039 0.000 2.926 557 T HA 0.189 4.539 4.350 -0.000 0.000 0.307 557 T C -0.915 173.762 174.700 -0.039 0.000 1.059 557 T CA -1.413 60.667 62.100 -0.033 0.000 1.122 557 T CB -0.214 68.620 68.868 -0.057 0.000 0.972 557 T HN 0.121 nan 8.240 nan 0.000 0.545 558 P HA -0.038 nan 4.420 nan 0.000 0.216 558 P C -0.363 176.938 177.300 0.000 0.000 1.153 558 P CA 1.143 64.256 63.100 0.022 0.000 0.858 558 P CB 0.160 31.876 31.700 0.026 0.000 0.789 559 D N -1.186 119.188 120.400 -0.043 0.000 2.434 559 D HA 0.240 4.879 4.640 -0.000 0.000 0.275 559 D C -0.651 175.561 176.300 -0.148 0.000 1.172 559 D CA -0.193 53.768 54.000 -0.064 0.000 0.916 559 D CB 0.009 40.788 40.800 -0.034 0.000 1.041 559 D HN -0.020 nan 8.370 nan 0.000 0.501 560 T N -1.120 113.259 114.554 -0.291 0.000 2.930 560 T HA 0.697 5.047 4.350 -0.000 0.000 0.313 560 T C 0.295 174.560 174.700 -0.726 0.000 1.019 560 T CA -1.008 60.823 62.100 -0.449 0.000 1.004 560 T CB 1.346 69.917 68.868 -0.495 0.000 0.987 560 T HN 0.234 nan 8.240 nan 0.000 0.456 561 A N 2.521 125.103 122.820 -0.395 0.000 2.520 561 A HA 0.445 4.764 4.320 -0.000 0.000 0.235 561 A C 0.298 177.693 177.584 -0.314 0.000 1.065 561 A CA -0.222 51.650 52.037 -0.275 0.000 0.764 561 A CB 0.139 19.092 19.000 -0.079 0.000 1.002 561 A HN 0.968 nan 8.150 nan 0.000 0.502 562 W N 0.010 121.340 121.300 0.049 0.000 2.857 562 W HA 0.256 4.916 4.660 -0.000 0.000 0.301 562 W C 1.324 177.875 176.519 0.054 0.000 1.047 562 W CA 1.038 58.440 57.345 0.094 0.000 1.671 562 W CB -0.841 28.736 29.460 0.196 0.000 1.225 562 W HN 0.752 nan 8.180 nan 0.000 0.501 563 D N 1.243 121.829 120.400 0.311 0.000 2.349 563 D HA 0.119 4.759 4.640 -0.000 0.000 0.266 563 D C 0.284 176.600 176.300 0.027 0.000 1.293 563 D CA 0.215 54.293 54.000 0.130 0.000 0.926 563 D CB -0.469 40.354 40.800 0.039 0.000 1.090 563 D HN 0.340 nan 8.370 nan 0.000 0.502 564 N N 0.105 118.792 118.700 -0.021 0.000 2.093 564 N HA 0.413 5.153 4.740 -0.000 0.000 0.191 564 N C 0.849 176.327 175.510 -0.053 0.000 1.062 564 N CA 1.957 54.981 53.050 -0.042 0.000 0.854 564 N CB 0.070 38.521 38.487 -0.060 0.000 1.043 564 N HN 0.720 nan 8.380 nan 0.000 0.438 565 F N -3.460 116.444 119.950 -0.077 0.000 2.817 565 F HA 0.468 4.995 4.527 -0.000 0.000 0.317 565 F C -0.814 174.937 175.800 -0.081 0.000 1.168 565 F CA -0.860 57.098 58.000 -0.070 0.000 0.911 565 F CB -0.148 38.813 39.000 -0.064 0.000 1.337 565 F HN 0.409 nan 8.300 nan 0.000 0.464 566 Y N 0.158 120.426 120.300 -0.053 0.000 2.924 566 Y HA 0.208 4.758 4.550 -0.000 0.000 0.085 566 Y C -0.037 175.844 175.900 -0.033 0.000 2.077 566 Y CA -0.077 58.003 58.100 -0.033 0.000 1.050 566 Y CB -2.234 36.205 38.460 -0.036 0.000 1.711 566 Y HN 1.674 nan 8.280 nan 0.000 0.318 567 L N 1.117 122.334 121.223 -0.010 0.000 2.464 567 L HA 0.842 5.182 4.340 -0.000 0.000 0.224 567 L C 0.920 177.832 176.870 0.070 0.000 1.219 567 L CA 0.102 54.958 54.840 0.026 0.000 0.831 567 L CB 1.374 43.458 42.059 0.041 0.000 1.284 567 L HN 1.843 nan 8.230 nan 0.000 0.522 568 L N -0.143 121.154 121.223 0.122 0.000 2.740 568 L HA 0.449 4.788 4.340 -0.000 0.000 0.250 568 L C 0.478 177.466 176.870 0.196 0.000 0.997 568 L CA -0.274 54.663 54.840 0.162 0.000 0.968 568 L CB 0.034 42.216 42.059 0.204 0.000 1.248 568 L HN 0.695 nan 8.230 nan 0.000 0.476 569 R N 0.866 121.442 120.500 0.127 0.000 2.357 569 R HA 0.657 4.997 4.340 -0.000 0.000 0.202 569 R C 1.514 177.850 176.300 0.060 0.000 1.047 569 R CA 2.268 58.425 56.100 0.095 0.000 1.034 569 R CB -0.260 30.076 30.300 0.061 0.000 0.875 569 R HN 2.725 nan 8.270 nan 0.000 0.473 570 A N -4.334 118.534 122.820 0.081 0.000 2.415 570 A HA 0.389 4.709 4.320 -0.000 0.000 0.219 570 A C 1.060 178.692 177.584 0.080 0.000 2.882 570 A CA 0.530 52.571 52.037 0.007 0.000 1.551 570 A CB -0.613 18.373 19.000 -0.024 0.000 0.227 570 A HN 1.935 nan 8.150 nan 0.000 0.538 571 G N -1.163 107.700 108.800 0.105 0.000 2.681 571 G HA2 0.676 4.636 3.960 -0.000 0.000 0.232 571 G HA3 0.676 4.636 3.960 -0.000 0.000 0.232 571 G C -0.704 174.239 174.900 0.071 0.000 3.566 571 G CA 1.099 46.258 45.100 0.099 0.000 0.726 571 G HN 1.706 nan 8.290 nan 0.000 0.465 572 E N -1.625 118.618 120.200 0.072 0.000 2.317 572 E HA 0.748 5.097 4.350 -0.000 0.000 0.270 572 E C -0.151 176.477 176.600 0.046 0.000 0.899 572 E CA -0.020 56.411 56.400 0.053 0.000 0.814 572 E CB 0.485 30.214 29.700 0.047 0.000 1.296 572 E HN 1.694 nan 8.360 nan 0.000 0.404 573 N N 0.852 119.575 118.700 0.038 0.000 3.259 573 N HA 0.499 5.239 4.740 -0.000 0.000 0.308 573 N C 0.680 176.201 175.510 0.019 0.000 1.334 573 N CA 0.306 53.372 53.050 0.028 0.000 1.202 573 N CB 0.239 38.745 38.487 0.032 0.000 1.485 573 N HN 1.559 nan 8.380 nan 0.000 0.549 574 V N 1.237 121.162 119.914 0.019 0.000 2.359 574 V HA 0.357 4.477 4.120 -0.000 0.000 0.248 574 V C 1.034 177.130 176.094 0.004 0.000 1.091 574 V CA -0.166 62.142 62.300 0.013 0.000 1.103 574 V CB -1.036 30.797 31.823 0.017 0.000 1.176 574 V HN 0.711 nan 8.190 nan 0.000 0.488 575 S N 3.965 119.667 115.700 0.002 0.000 2.443 575 S HA 0.461 4.931 4.470 -0.000 0.000 0.284 575 S C 0.962 175.557 174.600 -0.009 0.000 1.206 575 S CA 0.327 58.524 58.200 -0.005 0.000 1.074 575 S CB -0.302 62.897 63.200 -0.002 0.000 0.963 575 S HN 2.422 nan 8.310 nan 0.000 0.501 576 T N 1.661 116.205 114.554 -0.017 0.000 2.418 576 T HA -0.021 4.329 4.350 -0.000 0.000 0.513 576 T C 0.873 175.563 174.700 -0.017 0.000 0.816 576 T CA 0.703 62.789 62.100 -0.023 0.000 3.342 576 T CB -1.467 67.386 68.868 -0.025 0.000 1.249 576 T HN 1.610 nan 8.240 nan 0.000 0.319 577 A N 1.210 124.021 122.820 -0.015 0.000 2.423 577 A HA 0.634 4.953 4.320 -0.000 0.000 0.246 577 A C 1.231 178.802 177.584 -0.021 0.000 1.278 577 A CA 1.346 53.375 52.037 -0.014 0.000 0.903 577 A CB 0.019 19.014 19.000 -0.008 0.000 0.997 577 A HN 1.669 nan 8.150 nan 0.000 0.510 578 Q N -2.035 117.746 119.800 -0.031 0.000 2.241 578 Q HA 0.693 5.032 4.340 -0.000 0.000 0.262 578 Q C 1.178 177.138 176.000 -0.066 0.000 1.014 578 Q CA 0.016 55.792 55.803 -0.045 0.000 0.885 578 Q CB 0.415 29.124 28.738 -0.048 0.000 1.311 578 Q HN 1.263 nan 8.270 nan 0.000 0.461 579 I N -0.176 120.346 120.570 -0.080 0.000 2.315 579 I HA 0.034 4.204 4.170 -0.000 0.000 0.248 579 I C 1.545 177.563 176.117 -0.165 0.000 1.117 579 I CA 1.589 62.828 61.300 -0.101 0.000 1.404 579 I CB -0.979 36.965 38.000 -0.093 0.000 1.071 579 I HN 0.687 nan 8.210 nan 0.000 0.419 580 S N 1.423 116.980 115.700 -0.237 0.000 2.885 580 S HA 0.116 4.586 4.470 -0.000 0.000 0.334 580 S C -0.620 173.806 174.600 -0.291 0.000 1.224 580 S CA -0.223 57.717 58.200 -0.433 0.000 1.080 580 S CB 0.224 63.147 63.200 -0.462 0.000 0.801 580 S HN 0.642 nan 8.310 nan 0.000 0.510 581 P HA -0.231 nan 4.420 nan 0.000 0.215 581 P C 1.528 178.128 177.300 -1.167 0.000 0.896 581 P CA 1.013 63.774 63.100 -0.565 0.000 1.030 581 P CB -0.115 31.411 31.700 -0.290 0.000 0.731 582 V N -0.645 118.902 119.914 -0.611 0.000 2.358 582 V HA -0.191 3.928 4.120 -0.000 0.000 0.246 582 V C 2.554 178.436 176.094 -0.353 0.000 1.047 582 V CA 1.879 63.920 62.300 -0.432 0.000 1.035 582 V CB -0.897 30.809 31.823 -0.194 0.000 0.658 582 V HN 0.225 nan 8.190 nan 0.000 0.452 583 E N -0.271 119.750 120.200 -0.299 0.000 2.051 583 E HA -0.076 4.274 4.350 -0.000 0.000 0.189 583 E C 2.279 178.894 176.600 0.024 0.000 0.979 583 E CA 0.733 57.075 56.400 -0.097 0.000 0.803 583 E CB -0.035 29.620 29.700 -0.075 0.000 0.761 583 E HN 0.480 nan 8.360 nan 0.000 0.451 584 L N 0.469 121.704 121.223 0.020 0.000 2.187 584 L HA -0.187 4.153 4.340 -0.000 0.000 0.213 584 L C 2.268 179.496 176.870 0.598 0.000 1.100 584 L CA 1.078 56.094 54.840 0.294 0.000 0.765 584 L CB -0.342 41.859 42.059 0.236 0.000 0.904 584 L HN 0.204 nan 8.230 nan 0.000 0.437 585 F N -0.473 119.582 119.950 0.176 0.000 2.074 585 F HA -0.241 4.286 4.527 -0.000 0.000 0.293 585 F C 3.188 179.080 175.800 0.153 0.000 1.116 585 F CA 0.592 58.720 58.000 0.214 0.000 1.212 585 F CB -0.682 38.395 39.000 0.128 0.000 0.998 585 F HN 0.002 nan 8.300 nan 0.000 0.471 586 R N 0.426 121.095 120.500 0.282 0.000 2.083 586 R HA -0.205 4.134 4.340 -0.000 0.000 0.237 586 R C 2.057 178.430 176.300 0.121 0.000 1.137 586 R CA 2.268 58.458 56.100 0.151 0.000 0.951 586 R CB -2.584 27.767 30.300 0.085 0.000 0.851 586 R HN 0.645 nan 8.270 nan 0.000 0.434 587 H N -1.927 117.222 119.070 0.131 0.000 2.260 587 H HA 0.118 4.674 4.556 -0.000 0.000 0.304 587 H C 2.336 177.699 175.328 0.059 0.000 1.059 587 H CA 2.676 58.777 56.048 0.088 0.000 1.305 587 H CB -0.911 28.906 29.762 0.092 0.000 1.388 587 H HN 0.739 nan 8.280 nan 0.000 0.496 588 D N -1.284 119.176 120.400 0.100 0.000 2.454 588 D HA 0.383 5.023 4.640 -0.000 0.000 0.219 588 D C 0.152 176.200 176.300 -0.419 0.000 1.081 588 D CA 0.133 54.031 54.000 -0.170 0.000 0.867 588 D CB 0.457 41.136 40.800 -0.201 0.000 1.054 588 D HN 0.534 nan 8.370 nan 0.000 0.500 589 F N -0.561 119.498 119.950 0.181 0.000 2.646 589 F HA 0.349 4.876 4.527 -0.000 0.000 0.336 589 F C -2.255 173.649 175.800 0.174 0.000 1.437 589 F CA -1.866 56.263 58.000 0.216 0.000 1.142 589 F CB 2.373 41.560 39.000 0.313 0.000 1.530 589 F HN -0.106 nan 8.300 nan 0.000 0.591 590 P HA -0.119 nan 4.420 nan 0.000 0.223 590 P C 1.789 179.078 177.300 -0.019 0.000 1.151 590 P CA 0.872 64.025 63.100 0.087 0.000 0.787 590 P CB 0.212 31.929 31.700 0.029 0.000 0.788 591 V N -1.599 118.240 119.914 -0.126 0.000 2.453 591 V HA -0.255 3.865 4.120 -0.000 0.000 0.252 591 V C 1.927 177.751 176.094 -0.450 0.000 1.068 591 V CA 1.872 63.970 62.300 -0.337 0.000 1.070 591 V CB -1.598 29.884 31.823 -0.569 0.000 0.664 591 V HN 0.060 nan 8.190 nan 0.000 0.461 592 F N -0.985 118.803 119.950 -0.270 0.000 2.387 592 F HA 0.131 4.657 4.527 -0.000 0.000 0.294 592 F C 2.011 177.603 175.800 -0.348 0.000 1.093 592 F CA 0.696 58.380 58.000 -0.528 0.000 1.420 592 F CB -0.357 37.791 39.000 -1.420 0.000 1.086 592 F HN 0.074 nan 8.300 nan 0.000 0.531 593 L N 0.694 121.941 121.223 0.040 0.000 2.083 593 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 593 L C 2.366 179.242 176.870 0.009 0.000 1.083 593 L CA 1.883 56.807 54.840 0.140 0.000 0.752 593 L CB -0.867 41.292 42.059 0.167 0.000 0.899 593 L HN 0.068 nan 8.230 nan 0.000 0.433 594 A N -0.709 122.097 122.820 -0.025 0.000 1.897 594 A HA -0.003 4.317 4.320 -0.000 0.000 0.215 594 A C 2.449 180.009 177.584 -0.041 0.000 1.181 594 A CA 1.424 53.439 52.037 -0.037 0.000 0.620 594 A CB -1.094 17.881 19.000 -0.043 0.000 0.821 594 A HN 0.536 nan 8.150 nan 0.000 0.443 595 A N -1.007 121.783 122.820 -0.050 0.000 1.908 595 A HA 0.092 4.412 4.320 -0.000 0.000 0.218 595 A C 2.383 179.938 177.584 -0.048 0.000 1.181 595 A CA 2.363 54.414 52.037 0.023 0.000 0.627 595 A CB -1.404 17.660 19.000 0.108 0.000 0.818 595 A HN 1.178 nan 8.150 nan 0.000 0.445 596 F N 0.579 120.340 119.950 -0.314 0.000 2.025 596 F HA -0.270 4.257 4.527 -0.000 0.000 0.297 596 F C 2.309 177.980 175.800 -0.215 0.000 1.132 596 F CA 2.122 59.744 58.000 -0.631 0.000 1.191 596 F CB -1.426 37.270 39.000 -0.506 0.000 0.963 596 F HN 0.484 nan 8.300 nan 0.000 0.481 597 N N -0.325 118.313 118.700 -0.104 0.000 2.289 597 N HA -0.200 4.539 4.740 -0.000 0.000 0.184 597 N C 1.865 177.382 175.510 0.010 0.000 1.016 597 N CA 1.456 54.488 53.050 -0.029 0.000 0.872 597 N CB -0.555 37.919 38.487 -0.022 0.000 0.973 597 N HN 0.721 nan 8.380 nan 0.000 0.433 598 Q N 1.788 121.600 119.800 0.020 0.000 2.061 598 Q HA -0.182 4.158 4.340 -0.000 0.000 0.204 598 Q C 2.031 178.087 176.000 0.093 0.000 0.984 598 Q CA 1.640 57.469 55.803 0.043 0.000 0.846 598 Q CB -0.431 28.343 28.738 0.060 0.000 0.902 598 Q HN 0.371 nan 8.270 nan 0.000 0.421 599 Q N -0.819 119.092 119.800 0.186 0.000 2.002 599 Q HA -0.199 4.141 4.340 -0.000 0.000 0.204 599 Q C 1.966 178.062 176.000 0.160 0.000 0.988 599 Q CA 1.859 57.804 55.803 0.237 0.000 0.843 599 Q CB -0.436 28.583 28.738 0.470 0.000 0.908 599 Q HN 0.505 nan 8.270 nan 0.000 0.420 600 A N 0.113 123.016 122.820 0.138 0.000 1.917 600 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 600 A C 2.237 179.870 177.584 0.081 0.000 1.182 600 A CA 2.280 54.376 52.037 0.099 0.000 0.633 600 A CB -1.072 17.971 19.000 0.072 0.000 0.819 600 A HN 0.548 nan 8.150 nan 0.000 0.448 601 T N -0.916 113.681 114.554 0.072 0.000 2.732 601 T HA -0.136 4.214 4.350 -0.000 0.000 0.261 601 T C 2.111 176.868 174.700 0.095 0.000 1.040 601 T CA 1.637 63.780 62.100 0.071 0.000 1.145 601 T CB -0.304 68.578 68.868 0.023 0.000 0.866 601 T HN 0.556 nan 8.240 nan 0.000 0.427 602 Q N 1.520 121.365 119.800 0.075 0.000 2.077 602 Q HA -0.120 4.220 4.340 -0.000 0.000 0.206 602 Q C 2.274 178.360 176.000 0.143 0.000 0.989 602 Q CA 1.742 57.612 55.803 0.112 0.000 0.853 602 Q CB -0.311 28.475 28.738 0.079 0.000 0.907 602 Q HN 0.396 nan 8.270 nan 0.000 0.418 603 R N -0.447 120.113 120.500 0.100 0.000 2.122 603 R HA -0.237 4.103 4.340 -0.000 0.000 0.236 603 R C 2.466 178.779 176.300 0.022 0.000 1.129 603 R CA 2.247 58.386 56.100 0.065 0.000 0.925 603 R CB -0.327 30.012 30.300 0.066 0.000 0.850 603 R HN 0.265 nan 8.270 nan 0.000 0.431 604 R N -0.785 119.710 120.500 -0.009 0.000 2.096 604 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 604 R C 2.209 178.425 176.300 -0.139 0.000 1.127 604 R CA 1.756 57.754 56.100 -0.169 0.000 0.968 604 R CB -0.412 29.717 30.300 -0.286 0.000 0.861 604 R HN 0.260 nan 8.270 nan 0.000 0.440 605 F N 0.397 120.307 119.950 -0.067 0.000 2.102 605 F HA -0.018 4.509 4.527 -0.000 0.000 0.298 605 F C 2.024 177.840 175.800 0.026 0.000 1.105 605 F CA 1.938 59.965 58.000 0.044 0.000 1.239 605 F CB -0.799 38.230 39.000 0.047 0.000 0.991 605 F HN 0.103 nan 8.300 nan 0.000 0.474 606 G N -0.481 108.336 108.800 0.029 0.000 2.448 606 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.219 606 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.219 606 G C 1.492 176.324 174.900 -0.114 0.000 1.127 606 G CA 0.837 45.908 45.100 -0.048 0.000 0.766 606 G HN 0.480 nan 8.290 nan 0.000 0.552 607 E N -0.620 119.508 120.200 -0.121 0.000 2.274 607 E HA -0.018 4.332 4.350 -0.000 0.000 0.194 607 E C 2.257 178.761 176.600 -0.160 0.000 0.996 607 E CA 0.230 56.549 56.400 -0.135 0.000 0.840 607 E CB -0.009 29.599 29.700 -0.154 0.000 0.772 607 E HN 0.385 nan 8.360 nan 0.000 0.491 608 L N 0.858 121.965 121.223 -0.193 0.000 2.068 608 L HA -0.039 4.301 4.340 -0.000 0.000 0.204 608 L C 1.963 178.712 176.870 -0.201 0.000 1.076 608 L CA 1.283 56.033 54.840 -0.150 0.000 0.753 608 L CB -0.198 41.824 42.059 -0.061 0.000 0.910 608 L HN 0.043 nan 8.230 nan 0.000 0.439 609 I N -0.017 120.362 120.570 -0.318 0.000 2.194 609 I HA -0.341 3.829 4.170 -0.000 0.000 0.246 609 I C 1.986 177.950 176.117 -0.255 0.000 1.093 609 I CA 1.549 62.656 61.300 -0.323 0.000 1.355 609 I CB -0.700 37.132 38.000 -0.280 0.000 1.046 609 I HN 0.292 nan 8.210 nan 0.000 0.413 610 D N 0.717 121.010 120.400 -0.179 0.000 2.228 610 D HA -0.101 4.539 4.640 -0.000 0.000 0.203 610 D C 1.064 177.274 176.300 -0.150 0.000 0.988 610 D CA 0.998 54.915 54.000 -0.138 0.000 0.864 610 D CB 0.063 40.804 40.800 -0.097 0.000 0.928 610 D HN 0.177 nan 8.370 nan 0.000 0.469 619 G N 1.820 110.727 108.800 0.179 0.000 2.686 619 G HA2 -0.138 3.821 3.960 -0.000 0.000 0.211 619 G HA3 -0.138 3.821 3.960 -0.000 0.000 0.211 619 G C 0.667 175.650 174.900 0.139 0.000 0.829 619 G CA 1.383 46.552 45.100 0.115 0.000 0.993 619 G HN 0.806 nan 8.290 nan 0.000 0.330 620 E N 1.829 122.078 120.200 0.081 0.000 2.472 620 E HA 0.118 4.468 4.350 -0.000 0.000 0.200 620 E C 2.508 179.181 176.600 0.121 0.000 1.046 620 E CA 1.771 58.211 56.400 0.066 0.000 0.871 620 E CB -0.366 29.340 29.700 0.011 0.000 0.806 620 E HN 1.805 nan 8.360 nan 0.000 0.533 621 L N -0.679 120.635 121.223 0.150 0.000 2.450 621 L HA -0.033 4.307 4.340 -0.000 0.000 0.224 621 L C 1.901 179.033 176.870 0.437 0.000 1.149 621 L CA 1.695 56.682 54.840 0.245 0.000 0.816 621 L CB -0.902 41.288 42.059 0.218 0.000 0.932 621 L HN 0.215 nan 8.230 nan 0.000 0.449 622 N N 1.047 119.914 118.700 0.279 0.000 2.104 622 N HA -0.276 4.464 4.740 -0.000 0.000 0.190 622 N C 1.900 177.558 175.510 0.246 0.000 1.024 622 N CA 2.127 55.302 53.050 0.207 0.000 0.853 622 N CB 0.156 38.707 38.487 0.107 0.000 1.008 622 N HN 0.710 nan 8.380 nan 0.000 0.424 623 Q N -0.145 119.776 119.800 0.200 0.000 2.378 623 Q HA -0.011 4.329 4.340 -0.000 0.000 0.205 623 Q C 2.101 178.225 176.000 0.208 0.000 0.954 623 Q CA 1.684 57.588 55.803 0.169 0.000 0.901 623 Q CB -1.370 27.432 28.738 0.108 0.000 0.981 623 Q HN 0.780 nan 8.270 nan 0.000 0.483 624 Q N -0.673 119.291 119.800 0.274 0.000 2.083 624 Q HA 0.043 4.383 4.340 -0.000 0.000 0.198 624 Q C 2.027 178.205 176.000 0.298 0.000 0.969 624 Q CA 1.304 57.288 55.803 0.302 0.000 0.838 624 Q CB -0.714 28.202 28.738 0.296 0.000 0.900 624 Q HN 0.809 nan 8.270 nan 0.000 0.436 625 F N 1.041 121.090 119.950 0.165 0.000 2.069 625 F HA -0.111 4.416 4.527 -0.000 0.000 0.298 625 F C 2.961 178.808 175.800 0.079 0.000 1.113 625 F CA 2.077 59.999 58.000 -0.129 0.000 1.214 625 F CB -0.827 38.141 39.000 -0.054 0.000 0.978 625 F HN 0.347 nan 8.300 nan 0.000 0.474 626 L N -0.484 120.934 121.223 0.325 0.000 2.261 626 L HA 0.045 4.384 4.340 -0.000 0.000 0.216 626 L C 2.430 179.410 176.870 0.184 0.000 1.114 626 L CA 2.223 57.207 54.840 0.239 0.000 0.777 626 L CB -2.061 40.103 42.059 0.176 0.000 0.910 626 L HN 0.299 nan 8.230 nan 0.000 0.440 627 A N -0.933 121.993 122.820 0.177 0.000 1.878 627 A HA 0.345 4.665 4.320 -0.000 0.000 0.213 627 A C 2.739 180.421 177.584 0.164 0.000 1.192 627 A CA 1.396 53.523 52.037 0.151 0.000 0.619 627 A CB -0.860 18.230 19.000 0.149 0.000 0.837 627 A HN 1.258 nan 8.150 nan 0.000 0.446 628 A N 0.284 123.202 122.820 0.163 0.000 2.125 628 A HA -0.052 4.268 4.320 -0.000 0.000 0.219 628 A C 1.961 179.796 177.584 0.419 0.000 1.156 628 A CA 1.955 54.120 52.037 0.212 0.000 0.671 628 A CB -1.391 17.575 19.000 -0.057 0.000 0.794 628 A HN 0.757 nan 8.150 nan 0.000 0.459 629 T N -2.008 112.718 114.554 0.287 0.000 3.496 629 T HA 0.111 4.461 4.350 -0.000 0.000 0.253 629 T C 0.240 174.885 174.700 -0.092 0.000 1.134 629 T CA 0.172 62.258 62.100 -0.024 0.000 0.993 629 T CB -0.582 68.224 68.868 -0.104 0.000 1.018 629 T HN 0.283 nan 8.240 nan 0.000 0.571 630 N N 0.185 118.972 118.700 0.146 0.000 2.747 630 N HA 0.437 5.177 4.740 -0.000 0.000 0.262 630 N C 0.121 175.731 175.510 0.166 0.000 1.261 630 N CA 0.533 53.645 53.050 0.103 0.000 0.809 630 N CB 1.426 39.944 38.487 0.052 0.000 1.450 630 N HN 0.503 nan 8.380 nan 0.000 0.560 631 Q N 1.297 121.223 119.800 0.209 0.000 1.830 631 Q HA 0.140 4.480 4.340 -0.000 0.000 0.148 631 Q C -0.633 175.428 176.000 0.101 0.000 0.614 631 Q CA 0.629 56.505 55.803 0.122 0.000 0.909 631 Q CB -0.228 28.583 28.738 0.121 0.000 1.037 631 Q HN 0.387 nan 8.270 nan 0.000 0.258 632 K N 0.493 120.953 120.400 0.101 0.000 6.399 632 K HA 0.049 4.368 4.320 -0.000 0.000 0.786 632 K C -1.260 175.297 176.600 -0.072 0.000 1.948 632 K CA 0.968 57.179 56.287 -0.127 0.000 1.668 632 K CB -2.061 30.409 32.500 -0.052 0.000 2.091 632 K HN 1.197 nan 8.250 nan 0.000 0.304 633 H N -0.716 118.306 119.070 -0.080 0.000 3.955 633 H HA -0.151 4.405 4.556 -0.000 0.000 0.349 633 H C 0.951 176.269 175.328 -0.016 0.000 0.936 633 H CA 0.586 56.586 56.048 -0.080 0.000 1.049 633 H CB -0.887 28.808 29.762 -0.111 0.000 1.363 633 H HN 0.696 nan 8.280 nan 0.000 0.358 634 S N 1.831 117.600 115.700 0.116 0.000 2.387 634 S HA -0.147 4.323 4.470 -0.000 0.000 0.226 634 S C 1.872 176.526 174.600 0.090 0.000 1.026 634 S CA 1.540 59.818 58.200 0.130 0.000 0.972 634 S CB -0.093 63.220 63.200 0.189 0.000 0.814 634 S HN 1.617 nan 8.310 nan 0.000 0.477 635 T N -1.264 113.325 114.554 0.059 0.000 6.387 635 T HA -0.208 4.142 4.350 -0.000 0.000 0.290 635 T C 0.209 174.909 174.700 0.000 0.000 1.901 635 T CA 0.877 62.982 62.100 0.008 0.000 3.035 635 T CB -3.064 65.799 68.868 -0.009 0.000 1.917 635 T HN 1.580 nan 8.240 nan 0.000 1.121 636 V N -1.809 118.112 119.914 0.011 0.000 2.464 636 V HA 0.564 4.684 4.120 -0.000 0.000 0.255 636 V C 0.325 176.353 176.094 -0.112 0.000 0.946 636 V CA -1.566 60.712 62.300 -0.036 0.000 0.988 636 V CB 0.717 32.531 31.823 -0.016 0.000 1.210 636 V HN 0.453 nan 8.190 nan 0.000 0.523 637 K N 3.224 123.560 120.400 -0.106 0.000 2.219 637 K HA 0.628 4.948 4.320 -0.000 0.000 0.258 637 K C -0.251 176.208 176.600 -0.234 0.000 1.008 637 K CA -0.307 55.886 56.287 -0.157 0.000 0.928 637 K CB 2.137 34.585 32.500 -0.086 0.000 0.983 637 K HN 0.830 nan 8.250 nan 0.000 0.484 638 L N -0.950 120.096 121.223 -0.294 0.000 2.404 638 L HA 0.664 5.004 4.340 -0.000 0.000 0.272 638 L C -0.881 175.898 176.870 -0.150 0.000 0.980 638 L CA -1.038 53.648 54.840 -0.257 0.000 0.836 638 L CB 1.264 43.091 42.059 -0.387 0.000 1.238 638 L HN 0.566 nan 8.230 nan 0.000 0.408 639 I N 4.789 125.301 120.570 -0.096 0.000 2.605 639 I HA 0.463 4.633 4.170 -0.000 0.000 0.268 639 I C -1.456 174.637 176.117 -0.039 0.000 1.265 639 I CA 0.292 61.561 61.300 -0.051 0.000 1.049 639 I CB 0.714 38.697 38.000 -0.029 0.000 1.329 639 I HN 0.991 nan 8.210 nan 0.000 0.494 640 D N 3.346 123.725 120.400 -0.036 0.000 3.435 640 D HA 0.165 4.805 4.640 -0.000 0.000 0.352 640 D C -1.163 175.123 176.300 -0.023 0.000 1.460 640 D CA -0.585 53.395 54.000 -0.033 0.000 0.935 640 D CB 0.350 41.123 40.800 -0.046 0.000 1.468 640 D HN 0.110 nan 8.370 nan 0.000 0.573 641 D N -0.113 120.272 120.400 -0.025 0.000 2.472 641 D HA 0.361 5.001 4.640 -0.000 0.000 0.237 641 D C 1.085 177.377 176.300 -0.015 0.000 1.141 641 D CA 1.645 55.635 54.000 -0.017 0.000 0.875 641 D CB 1.073 41.861 40.800 -0.020 0.000 1.192 641 D HN 0.716 nan 8.370 nan 0.000 0.450 642 A N 2.203 125.020 122.820 -0.005 0.000 3.768 642 A HA -0.289 4.031 4.320 -0.000 0.000 0.270 642 A C 1.739 179.327 177.584 0.006 0.000 1.019 642 A CA 1.817 53.855 52.037 0.002 0.000 1.058 642 A CB -1.723 17.275 19.000 -0.003 0.000 1.085 642 A HN 0.469 nan 8.150 nan 0.000 0.857 643 S N -2.727 112.972 115.700 -0.003 0.000 2.524 643 S HA 0.517 4.987 4.470 -0.000 0.000 0.215 643 S C 1.329 175.938 174.600 0.016 0.000 0.986 643 S CA 1.339 59.538 58.200 -0.002 0.000 0.911 643 S CB 0.236 63.412 63.200 -0.040 0.000 0.805 643 S HN 1.754 nan 8.310 nan 0.000 0.501 644 V N -0.631 119.293 119.914 0.017 0.000 3.398 644 V HA 0.717 4.837 4.120 -0.000 0.000 0.298 644 V C 1.539 177.649 176.094 0.028 0.000 1.496 644 V CA 0.936 63.251 62.300 0.025 0.000 1.044 644 V CB -0.217 31.617 31.823 0.019 0.000 0.880 644 V HN 0.377 nan 8.190 nan 0.000 0.443 645 S N 0.115 115.829 115.700 0.025 0.000 2.830 645 S HA 0.412 4.882 4.470 -0.000 0.000 0.249 645 S C 2.044 176.661 174.600 0.028 0.000 1.084 645 S CA 1.379 59.593 58.200 0.023 0.000 0.852 645 S CB 0.083 63.290 63.200 0.013 0.000 0.802 645 S HN 0.748 nan 8.310 nan 0.000 0.481 646 R N 0.378 120.895 120.500 0.027 0.000 2.175 646 R HA 0.587 4.927 4.340 -0.000 0.000 0.202 646 R C 1.894 178.221 176.300 0.046 0.000 1.018 646 R CA 0.935 57.051 56.100 0.027 0.000 1.029 646 R CB -1.251 29.059 30.300 0.017 0.000 0.959 646 R HN 0.460 nan 8.270 nan 0.000 0.480 647 L N 0.192 121.456 121.223 0.069 0.000 2.478 647 L HA 0.339 4.679 4.340 -0.000 0.000 0.223 647 L C 2.269 179.245 176.870 0.177 0.000 1.140 647 L CA 1.375 56.294 54.840 0.132 0.000 0.842 647 L CB 0.103 42.248 42.059 0.144 0.000 0.953 647 L HN 0.352 nan 8.230 nan 0.000 0.452 648 A N -2.434 120.452 122.820 0.110 0.000 2.251 648 A HA 0.053 4.373 4.320 -0.000 0.000 0.209 648 A C 1.843 179.477 177.584 0.083 0.000 1.187 648 A CA 1.009 53.107 52.037 0.102 0.000 0.823 648 A CB -0.350 18.688 19.000 0.063 0.000 0.846 648 A HN 0.332 nan 8.150 nan 0.000 0.486 649 T N -1.686 112.905 114.554 0.061 0.000 3.252 649 T HA 0.421 4.771 4.350 -0.000 0.000 0.286 649 T C 1.125 175.820 174.700 -0.009 0.000 1.013 649 T CA 0.752 62.868 62.100 0.026 0.000 0.914 649 T CB -0.437 68.439 68.868 0.013 0.000 1.131 649 T HN 0.399 nan 8.240 nan 0.000 0.529 650 I N -0.713 119.850 120.570 -0.012 0.000 2.899 650 I HA 0.488 4.658 4.170 -0.000 0.000 0.257 650 I C 1.582 177.535 176.117 -0.274 0.000 1.115 650 I CA 0.578 61.789 61.300 -0.149 0.000 1.451 650 I CB -1.028 36.864 38.000 -0.180 0.000 1.251 650 I HN 0.391 nan 8.210 nan 0.000 0.456 651 F N 1.899 121.781 119.950 -0.113 0.000 2.772 651 F HA 0.170 4.697 4.527 -0.000 0.000 0.302 651 F C 0.978 176.724 175.800 -0.089 0.000 1.225 651 F CA 0.107 58.017 58.000 -0.149 0.000 1.429 651 F CB -0.908 38.009 39.000 -0.139 0.000 1.104 651 F HN 0.473 nan 8.300 nan 0.000 0.550 652 D N 2.517 122.942 120.400 0.041 0.000 2.662 652 D HA -0.103 4.537 4.640 -0.000 0.000 0.237 652 D C -2.215 174.085 176.300 -0.001 0.000 1.154 652 D CA -1.116 52.894 54.000 0.017 0.000 0.861 652 D CB 0.345 41.137 40.800 -0.013 0.000 1.146 652 D HN -0.079 nan 8.370 nan 0.000 0.518 653 P HA -0.140 nan 4.420 nan 0.000 0.172 653 P C 0.738 178.031 177.300 -0.012 0.000 0.821 653 P CA 0.518 63.628 63.100 0.017 0.000 1.150 653 P CB -0.488 31.226 31.700 0.024 0.000 1.263 654 L N 2.472 123.661 121.223 -0.056 0.000 2.071 654 L HA 0.244 4.584 4.340 -0.000 0.000 0.201 654 L C 1.615 178.469 176.870 -0.026 0.000 1.076 654 L CA 1.922 56.716 54.840 -0.077 0.000 0.755 654 L CB -1.609 40.314 42.059 -0.227 0.000 0.915 654 L HN 0.310 nan 8.230 nan 0.000 0.445 655 L N 0.686 121.882 121.223 -0.045 0.000 2.283 655 L HA 0.589 4.929 4.340 -0.000 0.000 0.287 655 L C -0.544 176.357 176.870 0.052 0.000 1.073 655 L CA -1.267 53.603 54.840 0.049 0.000 0.822 655 L CB -0.490 41.628 42.059 0.099 0.000 1.186 655 L HN 0.340 nan 8.230 nan 0.000 0.436 656 P HA 0.060 nan 4.420 nan 0.000 0.197 656 P C -0.164 177.163 177.300 0.046 0.000 1.043 656 P CA 0.761 63.886 63.100 0.042 0.000 0.815 656 P CB 0.554 32.278 31.700 0.039 0.000 0.666 657 E N -2.301 117.924 120.200 0.043 0.000 2.331 657 E HA 0.475 4.824 4.350 -0.000 0.000 0.275 657 E C -0.026 176.599 176.600 0.042 0.000 0.895 657 E CA -0.267 56.158 56.400 0.042 0.000 0.753 657 E CB 1.879 31.602 29.700 0.040 0.000 1.216 657 E HN 0.463 nan 8.360 nan 0.000 0.434 658 G N 1.135 109.960 108.800 0.043 0.000 5.005 658 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.251 658 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.251 658 G C 0.333 175.257 174.900 0.040 0.000 1.536 658 G CA 0.241 45.368 45.100 0.045 0.000 1.060 658 G HN 0.777 nan 8.290 nan 0.000 0.683 659 K N 0.197 120.619 120.400 0.038 0.000 2.307 659 K HA 0.889 5.208 4.320 -0.000 0.000 0.239 659 K C -0.109 176.509 176.600 0.029 0.000 1.083 659 K CA 0.028 56.334 56.287 0.030 0.000 0.913 659 K CB 0.760 33.276 32.500 0.027 0.000 1.322 659 K HN 1.242 nan 8.250 nan 0.000 0.514 660 L N 2.022 123.253 121.223 0.012 0.000 2.353 660 L HA 0.592 4.932 4.340 -0.000 0.000 0.269 660 L C -0.036 176.873 176.870 0.065 0.000 1.085 660 L CA 0.300 55.165 54.840 0.042 0.000 0.938 660 L CB -0.537 41.527 42.059 0.008 0.000 1.312 660 L HN 1.088 nan 8.230 nan 0.000 0.429 661 S N 5.340 121.100 115.700 0.101 0.000 2.732 661 S HA 0.873 5.343 4.470 -0.000 0.000 0.293 661 S C -2.378 172.312 174.600 0.150 0.000 1.159 661 S CA -0.903 57.370 58.200 0.122 0.000 0.847 661 S CB 1.772 65.017 63.200 0.075 0.000 1.169 661 S HN 0.340 nan 8.310 nan 0.000 0.501 662 P HA 0.315 nan 4.420 nan 0.000 0.233 662 P C 0.830 178.252 177.300 0.203 0.000 1.157 662 P CA 1.409 64.602 63.100 0.155 0.000 0.876 662 P CB 0.644 32.408 31.700 0.106 0.000 0.947 663 A N -0.576 122.353 122.820 0.182 0.000 1.999 663 A HA 0.041 4.361 4.320 -0.000 0.000 0.200 663 A C 2.178 179.849 177.584 0.146 0.000 1.363 663 A CA 0.911 53.031 52.037 0.138 0.000 0.844 663 A CB -1.649 17.404 19.000 0.088 0.000 0.954 663 A HN 0.178 nan 8.150 nan 0.000 0.481 664 H N -1.216 117.911 119.070 0.095 0.000 2.437 664 H HA -0.324 4.232 4.556 -0.000 0.000 0.296 664 H C 1.663 177.079 175.328 0.146 0.000 1.121 664 H CA 2.548 58.655 56.048 0.098 0.000 1.255 664 H CB -0.569 29.259 29.762 0.109 0.000 1.366 664 H HN 0.643 nan 8.280 nan 0.000 0.512 665 Y N 0.629 120.962 120.300 0.055 0.000 2.165 665 Y HA -0.277 4.273 4.550 -0.000 0.000 0.286 665 Y C 2.207 178.077 175.900 -0.049 0.000 1.155 665 Y CA 1.515 59.614 58.100 -0.003 0.000 1.164 665 Y CB 0.013 38.518 38.460 0.074 0.000 0.978 665 Y HN 0.324 nan 8.280 nan 0.000 0.513 666 Q N -0.293 119.343 119.800 -0.273 0.000 2.079 666 Q HA -0.197 4.142 4.340 -0.000 0.000 0.200 666 Q C 2.468 178.338 176.000 -0.216 0.000 0.974 666 Q CA 2.010 57.620 55.803 -0.321 0.000 0.840 666 Q CB -1.319 27.323 28.738 -0.161 0.000 0.898 666 Q HN 0.933 nan 8.270 nan 0.000 0.430 667 H N 1.415 120.389 119.070 -0.160 0.000 2.387 667 H HA -0.015 4.541 4.556 -0.000 0.000 0.299 667 H C 2.097 177.315 175.328 -0.183 0.000 1.090 667 H CA 1.539 57.498 56.048 -0.149 0.000 1.332 667 H CB -0.409 29.284 29.762 -0.114 0.000 1.386 667 H HN 0.116 nan 8.280 nan 0.000 0.516 668 I N 0.199 120.620 120.570 -0.249 0.000 2.076 668 I HA -0.238 3.932 4.170 -0.000 0.000 0.237 668 I C 2.766 178.849 176.117 -0.057 0.000 1.059 668 I CA 1.391 62.617 61.300 -0.124 0.000 1.317 668 I CB -1.085 36.867 38.000 -0.081 0.000 1.037 668 I HN 0.410 nan 8.210 nan 0.000 0.398 669 L N 1.000 122.117 121.223 -0.177 0.000 2.010 669 L HA -0.309 4.031 4.340 -0.000 0.000 0.219 669 L C 2.859 179.672 176.870 -0.095 0.000 1.077 669 L CA 2.383 57.123 54.840 -0.167 0.000 0.773 669 L CB -0.522 41.328 42.059 -0.347 0.000 0.892 669 L HN 0.426 nan 8.230 nan 0.000 0.436 670 S N -0.963 114.663 115.700 -0.123 0.000 2.453 670 S HA -0.043 4.427 4.470 -0.000 0.000 0.231 670 S C 1.972 176.427 174.600 -0.243 0.000 1.005 670 S CA 0.600 58.737 58.200 -0.104 0.000 0.949 670 S CB -0.225 62.933 63.200 -0.070 0.000 0.774 670 S HN 0.375 nan 8.310 nan 0.000 0.510 671 A N 0.285 122.958 122.820 -0.245 0.000 1.968 671 A HA 0.189 4.509 4.320 -0.000 0.000 0.217 671 A C 1.562 178.750 177.584 -0.660 0.000 1.169 671 A CA 0.755 52.552 52.037 -0.400 0.000 0.638 671 A CB -0.706 18.145 19.000 -0.249 0.000 0.812 671 A HN 0.635 nan 8.150 nan 0.000 0.446 672 Y N -1.087 119.004 120.300 -0.348 0.000 2.485 672 Y HA 0.153 4.703 4.550 -0.000 0.000 0.260 672 Y C 0.323 176.139 175.900 -0.140 0.000 1.173 672 Y CA -0.104 57.864 58.100 -0.221 0.000 1.252 672 Y CB 0.108 38.527 38.460 -0.069 0.000 1.123 672 Y HN 0.526 nan 8.280 nan 0.000 0.524 673 H N -0.285 118.829 119.070 0.072 0.000 2.741 673 H HA -0.176 4.380 4.556 -0.000 0.000 0.305 673 H C 0.557 175.911 175.328 0.043 0.000 1.169 673 H CA 1.326 57.394 56.048 0.033 0.000 1.144 673 H CB -1.713 28.059 29.762 0.017 0.000 1.397 673 H HN 0.538 nan 8.280 nan 0.000 0.409 674 L N -3.280 118.011 121.223 0.112 0.000 3.202 674 L HA 0.358 4.698 4.340 -0.000 0.000 0.278 674 L C 1.626 178.512 176.870 0.026 0.000 1.268 674 L CA 0.382 55.266 54.840 0.074 0.000 1.034 674 L CB 0.829 42.933 42.059 0.074 0.000 1.407 674 L HN 0.026 nan 8.230 nan 0.000 0.581 675 T N 0.171 114.733 114.554 0.014 0.000 2.708 675 T HA -0.175 4.175 4.350 -0.000 0.000 0.266 675 T C 1.465 176.161 174.700 -0.006 0.000 1.037 675 T CA 2.455 64.542 62.100 -0.022 0.000 1.146 675 T CB -0.282 68.569 68.868 -0.028 0.000 0.865 675 T HN 0.699 nan 8.240 nan 0.000 0.435 676 D N 0.162 120.568 120.400 0.010 0.000 2.328 676 D HA 0.651 5.291 4.640 -0.000 0.000 0.226 676 D C 0.689 176.996 176.300 0.011 0.000 1.066 676 D CA 0.534 54.540 54.000 0.009 0.000 0.861 676 D CB -0.344 40.462 40.800 0.010 0.000 0.912 676 D HN 0.800 nan 8.370 nan 0.000 0.521 677 A N 0.356 123.186 122.820 0.016 0.000 2.279 677 A HA 0.624 4.944 4.320 -0.000 0.000 0.303 677 A C 1.192 178.780 177.584 0.006 0.000 1.108 677 A CA 0.285 52.331 52.037 0.015 0.000 0.830 677 A CB 0.371 19.386 19.000 0.025 0.000 1.106 677 A HN 0.559 nan 8.150 nan 0.000 0.493 678 T N -0.099 114.454 114.554 -0.002 0.000 2.908 678 T HA 0.131 4.480 4.350 -0.000 0.000 0.325 678 T C -1.197 173.494 174.700 -0.015 0.000 1.092 678 T CA -0.112 61.981 62.100 -0.012 0.000 1.125 678 T CB 0.337 69.192 68.868 -0.023 0.000 1.016 678 T HN 0.460 nan 8.240 nan 0.000 0.550 679 P HA -0.116 nan 4.420 nan 0.000 0.221 679 P C 1.463 178.733 177.300 -0.050 0.000 1.150 679 P CA 1.006 64.095 63.100 -0.019 0.000 0.800 679 P CB 0.113 31.797 31.700 -0.028 0.000 0.787 680 Q N 0.639 120.394 119.800 -0.076 0.000 1.990 680 Q HA -0.144 4.196 4.340 -0.000 0.000 0.200 680 Q C 2.402 178.315 176.000 -0.146 0.000 0.980 680 Q CA 1.323 57.050 55.803 -0.126 0.000 0.832 680 Q CB -0.349 28.313 28.738 -0.127 0.000 0.897 680 Q HN -0.055 nan 8.270 nan 0.000 0.427 681 K N 0.359 120.699 120.400 -0.100 0.000 2.360 681 K HA -0.179 4.141 4.320 -0.000 0.000 0.201 681 K C 1.904 178.471 176.600 -0.054 0.000 1.046 681 K CA 1.074 57.312 56.287 -0.081 0.000 0.945 681 K CB 0.078 32.557 32.500 -0.034 0.000 0.750 681 K HN 0.347 nan 8.250 nan 0.000 0.464 682 Q N -0.338 119.441 119.800 -0.034 0.000 1.990 682 Q HA -0.095 4.245 4.340 -0.000 0.000 0.200 682 Q C 1.991 177.991 176.000 0.000 0.000 0.980 682 Q CA 1.700 57.507 55.803 0.007 0.000 0.832 682 Q CB -0.111 28.654 28.738 0.044 0.000 0.897 682 Q HN 0.365 nan 8.270 nan 0.000 0.427 683 A N 0.869 123.669 122.820 -0.033 0.000 1.877 683 A HA -0.253 4.067 4.320 -0.000 0.000 0.216 683 A C 1.813 179.351 177.584 -0.077 0.000 1.186 683 A CA 1.775 53.794 52.037 -0.031 0.000 0.620 683 A CB -0.644 18.319 19.000 -0.062 0.000 0.822 683 A HN 0.440 nan 8.150 nan 0.000 0.443 684 E N -0.628 119.426 120.200 -0.243 0.000 2.085 684 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 684 E C 2.284 178.868 176.600 -0.025 0.000 0.994 684 E CA 1.877 58.031 56.400 -0.411 0.000 0.801 684 E CB -0.397 28.907 29.700 -0.660 0.000 0.743 684 E HN 0.883 nan 8.360 nan 0.000 0.453 685 T N -0.062 114.472 114.554 -0.033 0.000 2.777 685 T HA -0.135 4.215 4.350 -0.000 0.000 0.266 685 T C 1.929 176.603 174.700 -0.044 0.000 1.040 685 T CA 0.568 62.637 62.100 -0.050 0.000 1.141 685 T CB -0.269 68.497 68.868 -0.171 0.000 0.868 685 T HN -0.046 nan 8.240 nan 0.000 0.444 686 L N 0.501 121.721 121.223 -0.005 0.000 2.046 686 L HA 0.175 4.515 4.340 -0.000 0.000 0.208 686 L C 2.259 179.175 176.870 0.077 0.000 1.077 686 L CA 1.313 56.169 54.840 0.027 0.000 0.747 686 L CB -1.266 40.834 42.059 0.068 0.000 0.896 686 L HN 0.369 nan 8.230 nan 0.000 0.432 687 F N -0.867 119.071 119.950 -0.021 0.000 2.126 687 F HA -0.328 4.199 4.527 -0.000 0.000 0.299 687 F C 2.535 178.354 175.800 0.032 0.000 1.096 687 F CA 1.878 59.880 58.000 0.005 0.000 1.255 687 F CB -0.410 38.546 39.000 -0.073 0.000 0.997 687 F HN 0.115 nan 8.300 nan 0.000 0.479 688 C N 0.549 120.048 119.300 0.333 0.000 2.446 688 C HA -0.130 4.330 4.460 -0.000 0.000 0.277 688 C C 2.776 177.784 174.990 0.031 0.000 1.275 688 C CA 0.933 60.069 59.018 0.195 0.000 1.727 688 C CB -1.318 26.541 27.740 0.198 0.000 2.010 688 C HN 0.530 nan 8.230 nan 0.000 0.486 689 L N 1.464 122.696 121.223 0.015 0.000 2.042 689 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 689 L C 2.821 179.688 176.870 -0.004 0.000 1.076 689 L CA 2.109 56.974 54.840 0.042 0.000 0.749 689 L CB -0.804 41.267 42.059 0.021 0.000 0.893 689 L HN 0.541 nan 8.230 nan 0.000 0.432 690 S N -1.258 114.374 115.700 -0.114 0.000 2.359 690 S HA -0.276 4.194 4.470 -0.000 0.000 0.224 690 S C 2.091 176.603 174.600 -0.147 0.000 1.035 690 S CA 1.966 60.051 58.200 -0.192 0.000 1.018 690 S CB -0.859 62.190 63.200 -0.252 0.000 0.876 690 S HN 0.520 nan 8.310 nan 0.000 0.448 691 T N 0.505 114.937 114.554 -0.202 0.000 2.951 691 T HA 0.202 4.552 4.350 -0.000 0.000 0.268 691 T C 1.831 176.504 174.700 -0.044 0.000 1.073 691 T CA 1.384 63.388 62.100 -0.161 0.000 1.134 691 T CB -0.760 67.965 68.868 -0.237 0.000 0.884 691 T HN 0.595 nan 8.240 nan 0.000 0.479 692 A N 0.579 123.400 122.820 0.002 0.000 1.855 692 A HA 0.249 4.569 4.320 -0.000 0.000 0.215 692 A C 2.472 180.066 177.584 0.018 0.000 1.191 692 A CA 1.722 53.794 52.037 0.059 0.000 0.613 692 A CB -1.516 17.511 19.000 0.045 0.000 0.829 692 A HN 0.922 nan 8.150 nan 0.000 0.442 693 F N -0.369 119.624 119.950 0.072 0.000 2.773 693 F HA 0.376 4.903 4.527 -0.000 0.000 0.299 693 F C 2.292 178.153 175.800 0.101 0.000 1.204 693 F CA 1.232 59.323 58.000 0.152 0.000 1.454 693 F CB -1.409 37.782 39.000 0.319 0.000 1.117 693 F HN 0.534 nan 8.300 nan 0.000 0.590 694 A N -0.104 122.741 122.820 0.043 0.000 1.935 694 A HA 0.119 4.439 4.320 -0.000 0.000 0.214 694 A C 2.073 179.677 177.584 0.034 0.000 1.178 694 A CA 0.355 52.447 52.037 0.093 0.000 0.640 694 A CB -0.325 18.704 19.000 0.047 0.000 0.825 694 A HN 0.544 nan 8.150 nan 0.000 0.447 695 R N -2.664 117.791 120.500 -0.075 0.000 2.951 695 R HA 0.006 4.345 4.340 -0.000 0.000 0.141 695 R C 0.488 176.832 176.300 0.074 0.000 0.691 695 R CA 0.286 56.284 56.100 -0.170 0.000 1.548 695 R CB -0.650 29.294 30.300 -0.593 0.000 0.559 695 R HN 0.335 nan 8.270 nan 0.000 0.572 696 Y N -1.363 118.862 120.300 -0.124 0.000 4.861 696 Y HA -0.311 4.239 4.550 -0.000 0.000 0.239 696 Y C 1.492 177.454 175.900 0.105 0.000 0.985 696 Y CA 1.096 59.212 58.100 0.026 0.000 1.970 696 Y CB -1.641 36.922 38.460 0.171 0.000 1.490 696 Y HN 0.488 nan 8.280 nan 0.000 0.521 697 S N -2.390 113.422 115.700 0.186 0.000 2.727 697 S HA 0.082 4.551 4.470 -0.000 0.000 0.249 697 S C 0.526 175.155 174.600 0.048 0.000 1.079 697 S CA 0.319 58.590 58.200 0.118 0.000 0.912 697 S CB 0.502 63.773 63.200 0.119 0.000 0.861 697 S HN 0.345 nan 8.310 nan 0.000 0.484 698 S N 2.665 118.363 115.700 -0.003 0.000 2.885 698 S HA 0.117 4.586 4.470 -0.000 0.000 0.334 698 S C 1.413 175.967 174.600 -0.077 0.000 1.224 698 S CA 0.468 58.621 58.200 -0.078 0.000 1.080 698 S CB 0.052 63.141 63.200 -0.184 0.000 0.801 698 S HN 0.554 nan 8.310 nan 0.000 0.510 699 S N 4.217 119.873 115.700 -0.074 0.000 2.484 699 S HA -0.069 4.401 4.470 -0.000 0.000 0.250 699 S C 1.981 176.538 174.600 -0.072 0.000 0.995 699 S CA 1.664 59.819 58.200 -0.075 0.000 0.967 699 S CB -0.629 62.511 63.200 -0.100 0.000 0.752 699 S HN 1.204 nan 8.310 nan 0.000 0.517 700 A N 0.338 123.088 122.820 -0.117 0.000 2.066 700 A HA 0.400 4.720 4.320 -0.000 0.000 0.218 700 A C 1.606 179.143 177.584 -0.079 0.000 1.157 700 A CA 1.149 53.121 52.037 -0.109 0.000 0.670 700 A CB -0.371 18.362 19.000 -0.445 0.000 0.804 700 A HN 0.934 nan 8.150 nan 0.000 0.453 701 I N -7.814 112.707 120.570 -0.081 0.000 3.092 701 I HA 0.418 4.588 4.170 -0.000 0.000 0.202 701 I C 0.249 176.461 176.117 0.158 0.000 0.453 701 I CA -0.904 60.407 61.300 0.019 0.000 3.162 701 I CB -0.004 37.956 38.000 -0.068 0.000 1.497 701 I HN -0.093 nan 8.210 nan 0.000 0.536 702 F N 2.324 122.206 119.950 -0.114 0.000 2.538 702 F HA 0.121 4.648 4.527 -0.000 0.000 0.363 702 F C 1.363 177.104 175.800 -0.097 0.000 1.227 702 F CA -0.119 57.784 58.000 -0.162 0.000 1.272 702 F CB -0.297 38.518 39.000 -0.308 0.000 1.734 702 F HN 0.505 nan 8.300 nan 0.000 0.685 703 G N 0.308 109.135 108.800 0.045 0.000 2.766 703 G HA2 0.456 4.416 3.960 -0.000 0.000 0.206 703 G HA3 0.456 4.416 3.960 -0.000 0.000 0.206 703 G C 0.403 175.295 174.900 -0.013 0.000 2.072 703 G CA 0.425 45.530 45.100 0.009 0.000 0.798 703 G HN 0.537 nan 8.290 nan 0.000 0.703 704 T N -0.779 113.754 114.554 -0.034 0.000 0.609 704 T HA -0.117 4.233 4.350 -0.000 0.000 0.766 704 T C 0.504 175.181 174.700 -0.038 0.000 0.991 704 T CA 1.214 63.293 62.100 -0.034 0.000 4.041 704 T CB -1.497 67.360 68.868 -0.018 0.000 2.283 704 T HN 0.565 nan 8.240 nan 0.000 0.395 705 E N 0.789 120.944 120.200 -0.075 0.000 2.442 705 E HA 0.262 4.612 4.350 -0.000 0.000 0.195 705 E C 2.249 178.777 176.600 -0.121 0.000 1.030 705 E CA 1.677 57.999 56.400 -0.130 0.000 0.869 705 E CB -0.008 29.562 29.700 -0.218 0.000 0.857 705 E HN 1.162 nan 8.360 nan 0.000 0.505 706 H N -0.891 118.171 119.070 -0.014 0.000 2.486 706 H HA 0.228 4.784 4.556 -0.000 0.000 0.287 706 H C 1.268 176.689 175.328 0.154 0.000 1.010 706 H CA 1.202 57.352 56.048 0.170 0.000 1.324 706 H CB -0.398 29.482 29.762 0.197 0.000 1.446 706 H HN 0.344 nan 8.280 nan 0.000 0.537 707 D N -2.138 118.314 120.400 0.086 0.000 2.730 707 D HA 0.795 5.435 4.640 -0.000 0.000 0.202 707 D C 1.409 177.743 176.300 0.057 0.000 1.283 707 D CA 1.181 55.228 54.000 0.079 0.000 1.159 707 D CB -0.235 40.606 40.800 0.069 0.000 1.167 707 D HN 1.110 nan 8.370 nan 0.000 0.557 708 S N -1.536 114.194 115.700 0.051 0.000 6.768 708 S HA 0.372 4.841 4.470 -0.000 0.000 0.077 708 S C -1.574 173.053 174.600 0.044 0.000 1.316 708 S CA 1.320 59.547 58.200 0.045 0.000 1.269 708 S CB -0.771 62.465 63.200 0.060 0.000 1.717 708 S HN 0.464 nan 8.310 nan 0.000 0.552 709 P HA 0.253 nan 4.420 nan 0.000 0.201 709 P C -1.982 175.334 177.300 0.027 0.000 1.189 709 P CA 1.384 64.506 63.100 0.035 0.000 0.889 709 P CB -0.502 31.204 31.700 0.010 0.000 0.725 710 P HA 0.261 nan 4.420 nan 0.000 0.261 710 P C 0.810 178.090 177.300 -0.033 0.000 1.268 710 P CA 0.506 63.619 63.100 0.022 0.000 0.833 710 P CB -0.231 31.500 31.700 0.051 0.000 1.231 711 A N 0.406 123.180 122.820 -0.076 0.000 2.021 711 A HA 0.174 4.494 4.320 -0.000 0.000 0.216 711 A C 2.299 179.597 177.584 -0.476 0.000 1.163 711 A CA 1.284 53.197 52.037 -0.206 0.000 0.676 711 A CB -1.487 17.437 19.000 -0.126 0.000 0.818 711 A HN 0.209 nan 8.150 nan 0.000 0.453 712 L N -1.287 119.720 121.223 -0.361 0.000 2.622 712 L HA 0.247 4.587 4.340 -0.000 0.000 0.233 712 L C 2.239 179.040 176.870 -0.116 0.000 1.156 712 L CA 1.800 56.475 54.840 -0.275 0.000 0.866 712 L CB -1.441 40.641 42.059 0.038 0.000 0.980 712 L HN 0.562 nan 8.230 nan 0.000 0.448 713 R N -1.200 119.216 120.500 -0.140 0.000 2.164 713 R HA 0.172 4.512 4.340 -0.000 0.000 0.198 713 R C 2.589 178.707 176.300 -0.304 0.000 1.028 713 R CA 0.910 56.904 56.100 -0.176 0.000 1.083 713 R CB -0.163 30.140 30.300 0.004 0.000 1.026 713 R HN 0.502 nan 8.270 nan 0.000 0.514 714 G N 0.350 109.032 108.800 -0.197 0.000 2.450 714 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.220 714 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.220 714 G C 1.124 175.926 174.900 -0.162 0.000 1.130 714 G CA 0.831 45.821 45.100 -0.184 0.000 0.760 714 G HN 0.267 nan 8.290 nan 0.000 0.557 715 Y N 1.834 121.946 120.300 -0.313 0.000 2.092 715 Y HA 0.095 4.645 4.550 -0.000 0.000 0.282 715 Y C 2.964 178.708 175.900 -0.261 0.000 1.126 715 Y CA 1.280 59.235 58.100 -0.241 0.000 1.111 715 Y CB -0.779 37.488 38.460 -0.322 0.000 0.987 715 Y HN 0.226 nan 8.280 nan 0.000 0.489 716 A N 0.014 122.610 122.820 -0.373 0.000 2.042 716 A HA -0.262 4.058 4.320 -0.000 0.000 0.222 716 A C 2.200 179.292 177.584 -0.820 0.000 1.167 716 A CA 2.120 53.801 52.037 -0.595 0.000 0.649 716 A CB -0.754 17.885 19.000 -0.601 0.000 0.809 716 A HN 0.653 nan 8.150 nan 0.000 0.457 717 E N -0.678 119.024 120.200 -0.830 0.000 2.318 717 E HA 0.118 4.468 4.350 -0.000 0.000 0.193 717 E C 1.939 178.414 176.600 -0.208 0.000 0.998 717 E CA 0.716 56.781 56.400 -0.559 0.000 0.859 717 E CB -0.027 29.406 29.700 -0.444 0.000 0.812 717 E HN 0.543 nan 8.360 nan 0.000 0.492 718 A N 0.827 123.507 122.820 -0.234 0.000 1.975 718 A HA 0.128 4.448 4.320 -0.000 0.000 0.215 718 A C 1.476 178.981 177.584 -0.131 0.000 1.170 718 A CA 0.051 52.013 52.037 -0.126 0.000 0.656 718 A CB -0.136 18.810 19.000 -0.090 0.000 0.821 718 A HN 0.124 nan 8.150 nan 0.000 0.449 722 K N 1.088 121.523 120.400 0.059 0.000 2.113 722 K HA 0.048 4.368 4.320 -0.000 0.000 0.208 722 K C 2.012 178.633 176.600 0.036 0.000 1.047 722 K CA 2.360 58.625 56.287 -0.038 0.000 0.928 722 K CB -1.531 30.845 32.500 -0.207 0.000 0.716 722 K HN 0.588 nan 8.250 nan 0.000 0.446 723 A N 0.176 123.089 122.820 0.155 0.000 1.892 723 A HA -0.186 4.133 4.320 -0.000 0.000 0.218 723 A C 2.201 179.975 177.584 0.316 0.000 1.188 723 A CA 1.819 54.008 52.037 0.254 0.000 0.631 723 A CB -0.919 18.333 19.000 0.421 0.000 0.822 723 A HN 0.837 nan 8.150 nan 0.000 0.447 724 W N 0.960 122.329 121.300 0.115 0.000 2.333 724 W HA -0.202 4.457 4.660 -0.000 0.000 0.316 724 W C 1.808 178.226 176.519 -0.168 0.000 1.215 724 W CA 2.116 59.317 57.345 -0.240 0.000 1.278 724 W CB -0.428 28.486 29.460 -0.910 0.000 1.154 724 W HN 0.562 nan 8.180 nan 0.000 0.486 725 E N 0.444 120.629 120.200 -0.025 0.000 2.209 725 E HA -0.238 4.112 4.350 -0.000 0.000 0.196 725 E C 2.231 178.742 176.600 -0.148 0.000 0.993 725 E CA 1.565 57.909 56.400 -0.093 0.000 0.819 725 E CB -0.423 29.276 29.700 -0.003 0.000 0.745 725 E HN 0.377 nan 8.360 nan 0.000 0.477 726 L N -0.605 120.553 121.223 -0.108 0.000 2.049 726 L HA 0.002 4.342 4.340 -0.000 0.000 0.203 726 L C 1.353 178.138 176.870 -0.142 0.000 1.074 726 L CA 0.600 55.387 54.840 -0.088 0.000 0.749 726 L CB 0.313 42.354 42.059 -0.030 0.000 0.907 726 L HN -0.133 nan 8.230 nan 0.000 0.439 727 S N -1.431 114.167 115.700 -0.170 0.000 2.356 727 S HA 0.309 4.779 4.470 -0.000 0.000 0.171 727 S C -2.098 172.352 174.600 -0.249 0.000 1.399 727 S CA -1.098 56.980 58.200 -0.203 0.000 1.225 727 S CB 0.712 63.818 63.200 -0.156 0.000 1.271 727 S HN -0.169 nan 8.310 nan 0.000 0.427 728 P HA -0.084 nan 4.420 nan 0.000 0.216 728 P C 1.551 178.701 177.300 -0.250 0.000 1.150 728 P CA 1.454 64.055 63.100 -0.833 0.000 0.843 728 P CB 0.103 31.003 31.700 -1.332 0.000 0.787 729 A N -0.388 122.310 122.820 -0.204 0.000 2.042 729 A HA -0.226 4.094 4.320 -0.000 0.000 0.222 729 A C 2.037 179.591 177.584 -0.050 0.000 1.167 729 A CA 1.432 53.410 52.037 -0.098 0.000 0.649 729 A CB -1.585 17.347 19.000 -0.114 0.000 0.809 729 A HN 0.071 nan 8.150 nan 0.000 0.457 730 I N -1.303 119.218 120.570 -0.081 0.000 2.335 730 I HA -0.132 4.038 4.170 -0.000 0.000 0.251 730 I C 0.855 176.858 176.117 -0.189 0.000 1.129 730 I CA 0.516 61.677 61.300 -0.233 0.000 1.402 730 I CB -1.342 36.392 38.000 -0.443 0.000 1.069 730 I HN 0.228 nan 8.210 nan 0.000 0.424 731 F N 1.682 121.651 119.950 0.032 0.000 2.370 731 F HA 0.217 4.744 4.527 -0.000 0.000 0.319 731 F C -0.838 175.113 175.800 0.252 0.000 1.129 731 F CA -1.428 56.720 58.000 0.246 0.000 1.109 731 F CB -0.131 39.133 39.000 0.440 0.000 1.262 731 F HN -0.121 nan 8.300 nan 0.000 0.534 732 P HA 0.174 nan 4.420 nan 0.000 0.234 732 P C -0.498 176.921 177.300 0.198 0.000 1.175 732 P CA 0.691 63.946 63.100 0.258 0.000 0.801 732 P CB 0.497 32.338 31.700 0.234 0.000 0.891 733 S N -1.321 114.535 115.700 0.261 0.000 2.579 733 S HA 0.413 4.883 4.470 -0.000 0.000 0.290 733 S C 0.788 175.510 174.600 0.204 0.000 1.123 733 S CA -0.329 57.980 58.200 0.180 0.000 0.894 733 S CB 0.042 63.288 63.200 0.076 0.000 1.095 733 S HN -0.168 nan 8.310 nan 0.000 0.450 734 S N 1.113 116.936 115.700 0.206 0.000 2.387 734 S HA -0.054 4.416 4.470 -0.000 0.000 0.230 734 S C 2.291 176.887 174.600 -0.007 0.000 1.035 734 S CA 2.183 60.441 58.200 0.096 0.000 1.014 734 S CB -0.608 62.675 63.200 0.137 0.000 0.836 734 S HN 1.261 nan 8.310 nan 0.000 0.466 735 E N 1.691 121.884 120.200 -0.012 0.000 2.051 735 E HA -0.236 4.113 4.350 -0.000 0.000 0.192 735 E C 1.920 178.430 176.600 -0.149 0.000 0.991 735 E CA 1.697 58.052 56.400 -0.076 0.000 0.799 735 E CB -1.153 28.515 29.700 -0.053 0.000 0.748 735 E HN 0.540 nan 8.360 nan 0.000 0.449 736 Q N -0.637 119.071 119.800 -0.154 0.000 2.061 736 Q HA -0.109 4.231 4.340 -0.000 0.000 0.204 736 Q C 1.940 177.699 176.000 -0.402 0.000 0.984 736 Q CA 2.290 57.868 55.803 -0.375 0.000 0.846 736 Q CB -0.732 27.789 28.738 -0.362 0.000 0.902 736 Q HN 0.715 nan 8.270 nan 0.000 0.421 737 F N 0.001 119.804 119.950 -0.246 0.000 2.091 737 F HA -0.262 4.265 4.527 -0.000 0.000 0.299 737 F C 1.737 177.440 175.800 -0.162 0.000 1.103 737 F CA 2.106 60.002 58.000 -0.172 0.000 1.228 737 F CB -0.378 38.244 39.000 -0.631 0.000 0.984 737 F HN 0.121 nan 8.300 nan 0.000 0.477 738 T N -0.213 113.993 114.554 -0.579 0.000 2.942 738 T HA -0.147 4.202 4.350 -0.000 0.000 0.265 738 T C 1.784 176.290 174.700 -0.324 0.000 1.062 738 T CA 0.996 62.741 62.100 -0.591 0.000 1.139 738 T CB -0.351 68.286 68.868 -0.386 0.000 0.883 738 T HN 0.392 nan 8.240 nan 0.000 0.468 739 E N 0.236 120.273 120.200 -0.273 0.000 2.058 739 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 739 E C 1.820 178.351 176.600 -0.115 0.000 0.997 739 E CA 1.230 57.503 56.400 -0.212 0.000 0.801 739 E CB -0.070 29.460 29.700 -0.285 0.000 0.746 739 E HN 0.556 nan 8.360 nan 0.000 0.450 740 W N 0.569 121.770 121.300 -0.164 0.000 2.381 740 W HA -0.020 4.639 4.660 -0.000 0.000 0.301 740 W C 2.730 179.080 176.519 -0.281 0.000 1.205 740 W CA 0.875 58.065 57.345 -0.259 0.000 1.285 740 W CB -1.301 28.073 29.460 -0.143 0.000 1.133 740 W HN 0.096 nan 8.180 nan 0.000 0.521 741 S N -0.002 115.685 115.700 -0.022 0.000 2.368 741 S HA -0.137 4.333 4.470 -0.000 0.000 0.224 741 S C 1.411 176.048 174.600 0.062 0.000 1.029 741 S CA 1.503 59.691 58.200 -0.021 0.000 0.988 741 S CB -0.299 62.655 63.200 -0.410 0.000 0.838 741 S HN 0.031 nan 8.310 nan 0.000 0.462 742 D N 0.541 120.935 120.400 -0.010 0.000 2.264 742 D HA -0.047 4.592 4.640 -0.000 0.000 0.208 742 D C 2.033 178.392 176.300 0.098 0.000 0.966 742 D CA 0.661 54.693 54.000 0.053 0.000 0.864 742 D CB -0.131 40.651 40.800 -0.030 0.000 0.933 742 D HN 0.408 nan 8.370 nan 0.000 0.499 743 R N -0.737 119.790 120.500 0.046 0.000 2.105 743 R HA 0.058 4.398 4.340 -0.000 0.000 0.214 743 R C 2.207 178.534 176.300 0.046 0.000 1.091 743 R CA 0.174 56.285 56.100 0.017 0.000 1.007 743 R CB -0.247 30.030 30.300 -0.039 0.000 0.912 743 R HN 0.048 nan 8.270 nan 0.000 0.450 744 F N 0.317 120.300 119.950 0.054 0.000 2.184 744 F HA -0.236 4.291 4.527 -0.000 0.000 0.301 744 F C 1.703 177.512 175.800 0.016 0.000 1.076 744 F CA 1.164 59.162 58.000 -0.003 0.000 1.295 744 F CB -0.207 38.752 39.000 -0.070 0.000 1.026 744 F HN 0.245 nan 8.300 nan 0.000 0.494 745 H N -1.296 117.897 119.070 0.204 0.000 2.127 745 H HA 0.212 4.768 4.556 -0.000 0.000 0.273 745 H C 0.928 176.339 175.328 0.138 0.000 1.686 745 H CA -0.089 56.040 56.048 0.135 0.000 1.464 745 H CB -0.158 29.654 29.762 0.082 0.000 1.739 745 H HN -0.027 nan 8.280 nan 0.000 0.687 746 G N 1.296 110.298 108.800 0.337 0.000 2.588 746 G HA2 0.113 4.072 3.960 -0.000 0.000 0.297 746 G HA3 0.113 4.072 3.960 -0.000 0.000 0.297 746 G C 0.013 175.025 174.900 0.187 0.000 0.874 746 G CA -0.168 45.118 45.100 0.309 0.000 1.607 746 G HN 0.302 nan 8.290 nan 0.000 0.486 747 L N 3.691 124.986 121.223 0.120 0.000 2.955 747 L HA 0.273 4.612 4.340 -0.000 0.000 0.238 747 L C 0.283 177.149 176.870 -0.008 0.000 1.359 747 L CA -0.124 54.740 54.840 0.041 0.000 1.214 747 L CB -1.444 40.623 42.059 0.014 0.000 1.600 747 L HN 0.449 nan 8.230 nan 0.000 0.442 748 H N -0.458 118.623 119.070 0.020 0.000 2.551 748 H HA 0.454 5.009 4.556 -0.000 0.000 0.358 748 H C 1.022 176.342 175.328 -0.013 0.000 1.151 748 H CA 1.022 57.075 56.048 0.007 0.000 1.374 748 H CB 1.052 30.818 29.762 0.007 0.000 1.473 748 H HN 0.442 nan 8.280 nan 0.000 0.574 749 G N 0.996 109.846 108.800 0.083 0.000 2.341 749 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.278 749 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.278 749 G C 0.701 175.544 174.900 -0.096 0.000 1.111 749 G CA 0.382 45.469 45.100 -0.021 0.000 0.982 749 G HN 0.831 nan 8.290 nan 0.000 0.502 750 A N 0.376 123.091 122.820 -0.176 0.000 1.858 750 A HA 0.628 4.948 4.320 -0.000 0.000 0.215 750 A C 1.367 178.912 177.584 -0.065 0.000 1.320 750 A CA 0.985 52.873 52.037 -0.248 0.000 0.601 750 A CB -0.508 18.186 19.000 -0.510 0.000 0.976 750 A HN 1.454 nan 8.150 nan 0.000 0.470 751 F N 1.337 121.238 119.950 -0.080 0.000 2.180 751 F HA -0.188 4.339 4.527 -0.000 0.000 0.139 751 F C 0.870 176.632 175.800 -0.062 0.000 1.019 751 F CA 0.182 58.153 58.000 -0.049 0.000 0.741 751 F CB -1.004 37.991 39.000 -0.008 0.000 0.685 751 F HN 0.419 nan 8.300 nan 0.000 0.790 752 T N -0.204 114.409 114.554 0.098 0.000 3.802 752 T HA 0.039 4.389 4.350 -0.000 0.000 0.243 752 T C 0.619 175.348 174.700 0.049 0.000 0.934 752 T CA -0.355 61.761 62.100 0.026 0.000 0.931 752 T CB -0.612 68.243 68.868 -0.021 0.000 1.167 752 T HN 0.598 nan 8.240 nan 0.000 0.655 753 C N 1.967 121.303 119.300 0.059 0.000 2.523 753 C HA 0.170 4.630 4.460 -0.000 0.000 0.406 753 C C 1.890 176.893 174.990 0.020 0.000 1.449 753 C CA 0.501 59.535 59.018 0.026 0.000 1.588 753 C CB -0.733 27.024 27.740 0.028 0.000 2.514 753 C HN 0.803 nan 8.230 nan 0.000 0.606 754 T N 2.984 117.542 114.554 0.007 0.000 3.054 754 T HA 0.046 4.396 4.350 -0.000 0.000 0.255 754 T C 1.755 176.436 174.700 -0.033 0.000 1.035 754 T CA 0.966 63.063 62.100 -0.004 0.000 0.941 754 T CB -0.037 68.856 68.868 0.042 0.000 1.026 754 T HN 0.835 nan 8.240 nan 0.000 0.533 755 S N 1.273 116.954 115.700 -0.032 0.000 2.387 755 S HA -0.160 4.310 4.470 -0.000 0.000 0.230 755 S C 2.166 176.751 174.600 -0.025 0.000 1.035 755 S CA 1.759 59.933 58.200 -0.045 0.000 1.014 755 S CB -0.508 62.679 63.200 -0.022 0.000 0.836 755 S HN 0.643 nan 8.310 nan 0.000 0.466 756 V N 0.111 120.025 119.914 0.001 0.000 2.270 756 V HA -0.116 4.004 4.120 -0.000 0.000 0.245 756 V C 2.112 178.210 176.094 0.007 0.000 1.043 756 V CA 1.546 63.859 62.300 0.023 0.000 1.014 756 V CB -1.420 30.430 31.823 0.045 0.000 0.645 756 V HN 0.343 nan 8.190 nan 0.000 0.447 757 V N 1.433 121.311 119.914 -0.060 0.000 2.214 757 V HA -0.251 3.868 4.120 -0.000 0.000 0.245 757 V C 3.126 179.065 176.094 -0.258 0.000 1.047 757 V CA 2.732 64.905 62.300 -0.211 0.000 0.998 757 V CB -1.764 29.797 31.823 -0.437 0.000 0.633 757 V HN 0.662 nan 8.190 nan 0.000 0.446 758 A N 0.425 123.131 122.820 -0.190 0.000 1.883 758 A HA -0.425 3.894 4.320 -0.000 0.000 0.222 758 A C 1.974 179.484 177.584 -0.124 0.000 1.339 758 A CA 2.812 54.758 52.037 -0.152 0.000 0.692 758 A CB -1.248 17.681 19.000 -0.119 0.000 0.845 758 A HN 0.614 nan 8.150 nan 0.000 0.467 759 D N -0.301 120.057 120.400 -0.070 0.000 2.149 759 D HA -0.040 4.600 4.640 -0.000 0.000 0.198 759 D C 1.530 177.842 176.300 0.020 0.000 0.990 759 D CA 1.132 55.118 54.000 -0.024 0.000 0.839 759 D CB -0.535 40.265 40.800 -0.000 0.000 0.948 759 D HN 0.407 nan 8.370 nan 0.000 0.460 763 R N 0.673 121.214 120.500 0.067 0.000 2.120 763 R HA -0.154 4.186 4.340 -0.000 0.000 0.234 763 R C 1.456 177.811 176.300 0.092 0.000 1.123 763 R CA 2.214 58.351 56.100 0.061 0.000 0.975 763 R CB -1.524 28.823 30.300 0.079 0.000 0.866 763 R HN 0.513 nan 8.270 nan 0.000 0.446 764 H N -0.679 118.449 119.070 0.097 0.000 2.284 764 H HA 0.176 4.732 4.556 -0.000 0.000 0.304 764 H C 2.521 177.764 175.328 -0.141 0.000 1.069 764 H CA 1.379 57.509 56.048 0.137 0.000 1.327 764 H CB -0.046 29.939 29.762 0.372 0.000 1.387 764 H HN 0.487 nan 8.280 nan 0.000 0.498 765 A N 1.190 123.977 122.820 -0.056 0.000 1.892 765 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 765 A C 2.383 179.635 177.584 -0.554 0.000 1.188 765 A CA 1.893 53.466 52.037 -0.774 0.000 0.631 765 A CB -0.796 17.998 19.000 -0.342 0.000 0.822 765 A HN 0.513 nan 8.150 nan 0.000 0.447 766 R N -0.512 119.848 120.500 -0.235 0.000 2.193 766 R HA -0.137 4.203 4.340 -0.000 0.000 0.229 766 R C 2.185 178.374 176.300 -0.185 0.000 1.110 766 R CA 1.697 57.694 56.100 -0.172 0.000 0.988 766 R CB -0.154 30.085 30.300 -0.102 0.000 0.871 766 R HN 0.656 nan 8.270 nan 0.000 0.458 767 K N -0.902 119.367 120.400 -0.218 0.000 2.005 767 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 767 K C 1.291 177.656 176.600 -0.392 0.000 1.044 767 K CA 1.389 57.462 56.287 -0.356 0.000 0.942 767 K CB -0.048 32.137 32.500 -0.526 0.000 0.727 767 K HN 0.101 nan 8.250 nan 0.000 0.439 768 Y N -0.776 119.468 120.300 -0.094 0.000 2.396 768 Y HA 0.117 4.667 4.550 -0.000 0.000 0.292 768 Y C 0.459 176.449 175.900 0.151 0.000 1.128 768 Y CA 0.064 58.195 58.100 0.052 0.000 1.194 768 Y CB 0.400 38.969 38.460 0.181 0.000 1.124 768 Y HN 0.074 nan 8.280 nan 0.000 0.543 769 F N -0.963 119.064 119.950 0.130 0.000 2.531 769 F HA 0.564 5.091 4.527 -0.000 0.000 0.333 769 F C -2.626 173.191 175.800 0.028 0.000 1.292 769 F CA -3.501 54.526 58.000 0.045 0.000 1.184 769 F CB 0.299 39.295 39.000 -0.006 0.000 1.426 769 F HN -0.232 nan 8.300 nan 0.000 0.559 770 P HA -0.140 nan 4.420 nan 0.000 0.215 770 P C 1.715 179.024 177.300 0.014 0.000 1.157 770 P CA 1.941 65.009 63.100 -0.054 0.000 0.856 770 P CB 0.126 31.794 31.700 -0.054 0.000 0.786 771 S N -0.237 115.492 115.700 0.048 0.000 2.402 771 S HA -0.118 4.352 4.470 -0.000 0.000 0.233 771 S C 2.041 176.689 174.600 0.081 0.000 1.030 771 S CA 1.611 59.844 58.200 0.054 0.000 1.003 771 S CB -1.859 61.374 63.200 0.055 0.000 0.813 771 S HN -0.021 nan 8.310 nan 0.000 0.477 772 V N 2.275 122.270 119.914 0.135 0.000 2.255 772 V HA -0.052 4.067 4.120 -0.000 0.000 0.243 772 V C 2.547 178.727 176.094 0.143 0.000 1.038 772 V CA 1.554 63.954 62.300 0.167 0.000 1.008 772 V CB -1.004 30.986 31.823 0.278 0.000 0.645 772 V HN 0.473 nan 8.190 nan 0.000 0.449 773 L N 0.569 121.875 121.223 0.139 0.000 2.051 773 L HA -0.195 4.145 4.340 -0.000 0.000 0.214 773 L C 2.261 179.142 176.870 0.018 0.000 1.076 773 L CA 2.601 57.475 54.840 0.056 0.000 0.758 773 L CB -0.757 41.270 42.059 -0.055 0.000 0.890 773 L HN 0.499 nan 8.230 nan 0.000 0.433 774 S N -1.025 114.681 115.700 0.010 0.000 2.727 774 S HA -0.047 4.423 4.470 -0.000 0.000 0.226 774 S C 1.513 176.116 174.600 0.006 0.000 0.963 774 S CA 0.748 58.944 58.200 -0.007 0.000 0.950 774 S CB -0.365 62.830 63.200 -0.009 0.000 0.779 774 S HN 0.736 nan 8.310 nan 0.000 0.532 775 S N -0.620 115.100 115.700 0.033 0.000 2.847 775 S HA 0.348 4.817 4.470 -0.000 0.000 0.254 775 S C 0.852 175.509 174.600 0.096 0.000 1.039 775 S CA -0.504 57.734 58.200 0.063 0.000 1.113 775 S CB 0.087 63.344 63.200 0.094 0.000 1.092 775 S HN 0.390 nan 8.310 nan 0.000 0.620 776 I N 0.451 121.046 120.570 0.043 0.000 4.197 776 I HA 0.410 4.580 4.170 -0.000 0.000 0.307 776 I C 0.552 176.557 176.117 -0.187 0.000 1.236 776 I CA 0.097 61.425 61.300 0.046 0.000 1.321 776 I CB -0.686 37.340 38.000 0.042 0.000 1.309 776 I HN 0.265 nan 8.210 nan 0.000 0.450 777 L N 4.121 125.226 121.223 -0.197 0.000 2.360 777 L HA 0.223 4.562 4.340 -0.000 0.000 0.276 777 L C -1.985 174.637 176.870 -0.413 0.000 1.121 777 L CA -1.332 53.310 54.840 -0.330 0.000 0.845 777 L CB 0.534 42.508 42.059 -0.142 0.000 1.143 777 L HN -0.141 nan 8.230 nan 0.000 0.452 778 P HA -0.071 nan 4.420 nan 0.000 0.265 778 P C 0.526 177.563 177.300 -0.438 0.000 1.193 778 P CA -0.137 62.562 63.100 -0.668 0.000 0.765 778 P CB 0.696 31.690 31.700 -1.177 0.000 0.823 779 L N 4.191 125.267 121.223 -0.246 0.000 2.131 779 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 779 L C 2.095 178.937 176.870 -0.046 0.000 1.092 779 L CA 2.044 56.817 54.840 -0.111 0.000 0.759 779 L CB -1.007 41.019 42.059 -0.056 0.000 0.903 779 L HN 0.447 nan 8.230 nan 0.000 0.435 780 A N -1.695 121.086 122.820 -0.065 0.000 2.172 780 A HA -0.068 4.251 4.320 -0.000 0.000 0.216 780 A C 0.335 178.107 177.584 0.313 0.000 1.154 780 A CA 0.481 52.577 52.037 0.097 0.000 0.701 780 A CB -0.616 18.439 19.000 0.092 0.000 0.789 780 A HN 0.460 nan 8.150 nan 0.000 0.465 781 W N -2.148 119.108 121.300 -0.075 0.000 2.594 781 W HA 0.676 5.336 4.660 -0.000 0.000 0.365 781 W C 0.602 177.065 176.519 -0.092 0.000 1.196 781 W CA -0.953 56.334 57.345 -0.096 0.000 1.258 781 W CB -0.292 29.091 29.460 -0.127 0.000 1.405 781 W HN 0.708 nan 8.180 nan 0.000 0.640 782 A N 0.000 122.915 122.820 0.158 0.000 2.254 782 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 782 A CA 0.000 52.063 52.037 0.044 0.000 0.836 782 A CB 0.000 19.007 19.000 0.012 0.000 0.831 782 A HN 0.000 nan 8.150 nan 0.000 0.486